*HEADER    TRANSCRIPTION                           02-DEC-04   1Y5O              
*TITLE     NMR STRUCTURE OF AMINO-TERMINAL DOMAIN FROM THE TFB1                  
*TITLE    2 SUBUNIT OF YEAST TFIIH                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA POLYMERASE II TRANSCRIPTION FACTOR B 73 KDA            
*COMPND   3 SUBUNIT;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: SEQUENCE DATABASE RESIDUES 1-115;                          
*COMPND   6 SYNONYM: TFB1;                                                       
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 GENE: TFB1;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: TOPP2;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    TFIIH, TFB1, PH DOMAIN, PHOSPHOINOSITIDES, VP16                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    P.DI LELLO, B.D.NGUYEN, T.N.JONES, K.POTEMPA, M.S.KOBOR,              
*AUTHOR   2 P.LEGAULT, J.G.OMICHINSKI                                            
*REVDAT   1   17-MAY-05 1Y5O    0                                                

!Tfb1(1-115) , free form. 

!NOEs from 3D 15N-edited Noesy (120ms)
!Correction for multiplicity as suggested by 
!C. Fletcher et al. Journal of Biomol. NMR, 8 (1996) 292-310


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assign (resid 4 and name HN) (resid 3 and name HA)     3.400 1.6 0.0 !
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assign (resid 4 and name HN) (resid 17 and name HA)    5.000 3.2 0.0 !
assign (resid 4 and name HN) (resid 100 and name HD1#) 5.500 3.7 0.0 !

assign (resid 5 and name HN) (resid 4 and name HA)     2.800 1.0 0.0 !
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assign (resid 12 and name HN) (resid 29 and name HZ2) 5.000 3.2 0.0 !

assign (resid 13 and name HN) (resid 8 and name HA)   6.000 4.2 0.0 !
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assign (resid 13 and name HN) (resid 14 and name HN)  5.000 3.2 0.0 !
assign (resid 13 and name HN) (resid 29 and name HZ2) 5.000 3.2 0.0 !

assign (resid 14 and name HN) (resid 8 and name HA)   3.400 1.6 0.0 !
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assign (resid 14 and name HN) (resid 9 and name HN)   5.000 3.2 0.0 !
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assign (resid 14 and name HN) (resid 15 and name HA)  5.000 3.2 0.0 !
assign (resid 14 and name HN) (resid 29 and name HE1) 3.400 1.6 0.0 !
assign (resid 14 and name HN) (resid 29 and name HD1) 5.000 3.2 0.0 !
assign (resid 14 and name HN) (resid 29 and name HZ2) 3.400 1.6 0.0 !
assign (resid 14 and name HN) (resid 32 and name HN)  5.000 3.2 0.0 !

assign (resid 15 and name HN) (resid 14 and name HA#)  3.400 1.6 0.0 !
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assign (resid 15 and name HN) (resid 15 and name HG1#) 5.000 3.2 0.0 !
assign (resid 15 and name HN) (resid 29 and name HA)   5.000 3.2 0.0 !
assign (resid 15 and name HN) (resid 29 and name HE1)  5.000 3.2 0.0 !
assign (resid 15 and name HN) (resid 32 and name HN)   5.000 3.2 0.0 !

assign (resid 16 and name HN) (resid 4 and name HA)    5.000 3.2 0.0 !
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assign (resid 16 and name HN) (resid 16 and name HG1#) 3.808 2.008 0.0 !
assign (resid 16 and name HN) (resid 29 and name HD1)  5.000 3.2 0.0 !

assign (resid 17 and name HN) (resid 16 and name HA)   2.800 1.0 0.0 !
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assign (resid 17 and name HN) (resid 29 and name HD1)  5.000 3.2 0.0 !

assign (resid 18 and name HN) (resid 3 and name HA)   5.000 3.2 0.0 !
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assign (resid 21 and name HN) (resid 19 and name HA) 5.000 3.2 0.0 !
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assign (resid 22 and name HN) (resid 21 and name HA) 3.400 1.6 0.0 !
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assign (resid 23 and name HN) (resid 22 and name HA) 2.800 1.0 0.0 !
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assign (resid 25 and name HN) (resid 24 and name HA) 3.400 1.6 0.0 !
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assign (resid 27 and name HN) (resid 18 and name HA)  5.000 3.2 0.0 !
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assign (resid 29 and name HE1) (resid 9 and name HB#)  5.000 3.2 0.0 !
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assign (resid 29 and name HN) (resid 27 and name HD#)   6.700 4.9 0.0 !
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assign (resid 30 and name HE) (resid 37 and name HG#) 6.750 4.95 0.0 !

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assign (resid 31 and name HN) (resid 36 and name HB#) 5.000 3.2 0.0 !
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assign (resid 31 and name HN) (resid 37 and name HG#) 4.590 2.79 0.0 !
assign (resid 31 and name HN) (resid 32 and name HN)  5.000 3.2 0.0 !
assign (resid 31 and name HN) (resid 33 and name HN)  5.000 3.2 0.0 !
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assign (resid 31 and name HN) (resid 38 and name HN)  5.000 3.2 0.0 !

assign (resid 32 and name HN) (resid 12 and name HG#) 4.560 2.76 0.0 !
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assign (resid 32 and name HN) (resid 33 and name HN)  3.400 1.6 0.0 !
assign (resid 32 and name HN) (resid 32 and name HG2#) 4.080 2.28 0.0 !

assign (resid 33 and name HN) (resid 31 and name HB#)  5.000 3.2 0.0 !
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assign (resid 34 and name HN) (resid 32 and name HA)   5.000 3.2 0.0 !
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assign (resid 87 and name HN) (resid 61 and name HA)  5.000 3.2 0.0 !
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assign (resid 91 and name HN) (resid 58 and name HB#) 5.600 3.8 0.0 !
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assign (resid 92 and name HN) (resid 91 and name HA)  3.400 1.6 0.0 !
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assign (resid 92 and name HN) (resid 92 and name HB#) 5.600 3.8 0.0 !

assign (resid 92 and name HD2#) (resid 92 and name HA)  5.000 3.2 0.0 !
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assign (resid 93 and name HN) (resid 91 and name HD#) 3.808 2.008 0.0 !
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assign (resid 93 and name HD2#) (resid 93 and name HA) 5.000 3.2 0.0 !

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assign (resid 95 and name HN) (resid 93 and name HA)   5.000 3.2 0.0 !
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assign (resid 96 and name HN) (resid 93 and name HA)  5.000 3.2 0.0 !
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assign (resid 96 and name HN) (resid 96 and name HA)  2.800 1.0 0.0 !
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assign (resid 96 and name HN) (resid 98 and name HN)  5.000 3.2 0.0 !

assign (resid 97 and name HN) (resid 91 and name HB#) 5.000 3.2 0.0 !
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assign (resid 97 and name HN) (resid 93 and name HA)  5.000 3.2 0.0 !
assign (resid 97 and name HN) (resid 95 and name HA)  5.000 3.2 0.0 !
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assign (resid 98 and name HN) (resid 94 and name HA)   5.000 3.2 0.0 !
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assign (resid 98 and name HN) (resid 96 and name HA)   5.000 3.2 0.0 !
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assign (resid 98 and name HN) (resid 97 and name HG#)  3.808 2.008 0.0 !
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assign (resid 98 and name HN) (resid 98 and name HA)   2.800 1.0 0.0 !
assign (resid 98 and name HN) (resid 99 and name HA)   6.000 4.2 0.0 !
assign (resid 98 and name HN) (resid 99 and name HN)   3.400 1.6 0.0 !

assign (resid 99 and name HN) (resid 95 and name HA)   5.000 3.2 0.0 !
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assign (resid 99 and name HN) (resid 98 and name HA)   3.400 1.6 0.0 !
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assign (resid 99 and name HN) (resid 99 and name HA)   2.800 1.0 0.0 !
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assign (resid 99 and name HN) (resid 99 and name HD2#) 5.000 3.2 0.0 !
assign (resid 99 and name HN) (resid 100 and name HA)  6.000 4.2 0.0 !
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assign (resid 99 and name HN) (resid 101 and name HN)  5.000 3.2 0.0 !

assign (resid 99 and name HD2#) (resid 96 and name HA)   5.000 3.2 0.0 !
assign (resid 99 and name HD2#) (resid 99 and name HA)   5.000 3.2 0.0 !
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assign (resid 100 and name HN) (resid 96 and name HA)    5.000 3.2 0.0 !
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assign (resid 101 and name HN) (resid 98 and name HA)    3.400 1.6 0.0 !
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assign (resid 102 and name HN) (resid 98 and name HA)   5.000 3.2 0.0 !
assign (resid 102 and name HN) (resid 99 and name HA)   5.000 3.2 0.0 !
assign (resid 102 and name HN) (resid 101 and name HA)  5.000 3.2 0.0 !
assign (resid 102 and name HN) (resid 101 and name HB#) 5.000 3.2 0.0 !
assign (resid 102 and name HN) (resid 101 and name HG#) 5.600 3.8 0.0 !
assign (resid 102 and name HN) (resid 101 and name HE#) 6.720 4.92 0.0 !
assign (resid 102 and name HN) (resid 101 and name HN)  3.400 1.6 0.0 !
assign (resid 102 and name HN) (resid 102 and name HB#) 3.400 1.6 0.0 !
assign (resid 102 and name HN) (resid 102 and name HG#) 5.000 3.2 0.0 !
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assign (resid 102 and name HN) (resid 103 and name HB)  6.000 4.2 0.0 !
assign (resid 102 and name HN) (resid 104 and name HN)  5.000 3.2 0.0 !

assign (resid 103 and name HN) (resid 99 and name HA)   5.000 3.2 0.0 !
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assign (resid 103 and name HN) (resid 102 and name HB#) 3.400 1.6 0.0 !
assign (resid 103 and name HN) (resid 103 and name HA)  2.800 1.0 0.0 !
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assign (resid 103 and name HN) (resid 103 and name HG2#) 4.080 2.28 0.0 !
assign (resid 103 and name HN) (resid 104 and name HN)  3.400 1.6 0.0 !
assign (resid 103 and name HN) (resid 105 and name HN)  5.000 3.2 0.0 !

assign (resid 104 and name HN) (resid 104 and name HB#)   3.400 1.6 0.0 !
assign (resid 104 and name HN) (resid 104 and name HG)    3.400 1.6 0.0 !
assign (resid 104 and name HN) (resid 106 and name HN)    5.000 3.2 0.0 !

assign (resid 105 and name HN) (resid 48 and name HD#)  4.590 2.79 0.0 !
assign (resid 105 and name HN) (resid 101 and name HA)  5.000 3.2 0.0 !
assign (resid 105 and name HN) (resid 103 and name HA)  5.000 3.2 0.0 !
assign (resid 105 and name HN) (resid 102 and name HA)  3.400 1.6 0.0 !
assign (resid 105 and name HN) (resid 104 and name HN)  3.400 1.6 0.0 !
assign (resid 105 and name HN) (resid 104 and name HB#) 5.600 3.8 0.0 !
assign (resid 105 and name HN) (resid 104 and name HG)  5.000 3.2 0.0 !
assign (resid 105 and name HN) (resid 104 and name HD#) 6.000 4.2 0.0 !
assign (resid 105 and name HN) (resid 105 and name HB#) 3.136 1.336 0.0 !
assign (resid 105 and name HN) (resid 105 and name HG#) 3.808 2.008 0.0 !
assign (resid 105 and name HN) (resid 106 and name HN)  3.400 1.6 0.0 !

assign (resid 105 and name HE2#) (resid 105 and name HA) 5.000 3.2 0.0 !

assign (resid 106 and name HN) (resid 102 and name HA)   5.000 3.2 0.0 !
assign (resid 106 and name HN) (resid 103 and name HA)   3.400 1.6 0.0 !
assign (resid 106 and name HN) (resid 103 and name HG2#) 6.000 4.2 0.0 !
assign (resid 106 and name HN) (resid 105 and name HA)   3.400 1.6 0.0 !
assign (resid 106 and name HN) (resid 105 and name HB#)  3.808 2.008 0.0 !
assign (resid 106 and name HN) (resid 106 and name HA)   2.800 1.0 0.0 !
assign (resid 106 and name HN) (resid 106 and name HB#)  3.136 1.336 0.0 !
assign (resid 106 and name HN) (resid 106 and name HG#)  3.400 1.6 0.0 !
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assign (resid 106 and name HN) (resid 107 and name HB)   5.000 3.2 0.0 !
assign (resid 106 and name HN) (resid 107 and name HG1#) 5.000 3.2 0.0 !

assign (resid 107 and name HN) (resid 104 and name HA)   3.400 1.6 0.0 !
assign (resid 107 and name HN) (resid 106 and name HB#)  3.808 2.008 0.0!
assign (resid 107 and name HN) (resid 107 and name HD1#) 4.080 2.28 0.0 !
assign (resid 107 and name HN) (resid 108 and name HN)   3.400 1.6 0.0 !

assign (resid 108 and name HN) (resid 105 and name HA)   3.400 1.6 0.0 !
assign (resid 108 and name HN) (resid 106 and name HA)   5.000 3.2 0.0 !
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assign (resid 108 and name HN) (resid 107 and name HD1#) 6.000 4.2 0.0 !
assign (resid 108 and name HN) (resid 107 and name HG2#) 4.080 2.28 0.0 !
assign (resid 108 and name HN) (resid 108 and name HA)   2.800 1.0 0.0 !
assign (resid 108 and name HN) (resid 109 and name HB#)  5.600 3.8 0.0 !

assign (resid 109 and name HN) (resid 106 and name HA)   3.400 1.6 0.0 !
assign (resid 109 and name HN) (resid 107 and name HA)   5.000 3.2 0.0 !
assign (resid 109 and name HN) (resid 107 and name HG2#) 6.000 4.2 0.0 !
assign (resid 109 and name HN) (resid 107 and name HN)   5.000 3.2 0.0 !
assign (resid 109 and name HN) (resid 108 and name HA)   3.400 1.6 0.0 !
assign (resid 109 and name HN) (resid 108 and name HB)   2.800 1.0 0.0 !
assign (resid 109 and name HN) (resid 108 and name HD1#) 5.000 3.2 0.0 !
assign (resid 109 and name HN) (resid 108 and name HG1#) 3.808 2.008 0.0 !
assign (resid 109 and name HN) (resid 108 and name HG2#) 4.080 2.28 0.0 !
assign (resid 109 and name HN) (resid 108 and name HN)   2.800 1.0 0.0 !
assign (resid 109 and name HN) (resid 109 and name HA)   2.800 1.0 0.0 !
assign (resid 109 and name HN) (resid 109 and name HB#)  3.136 1.336 0.0 !
assign (resid 109 and name HN) (resid 110 and name HN)   2.800 1.0 0.0 !
assign (resid 109 and name HN) (resid 111 and name HN)   5.000 3.2 0.0 !

assign (resid 110 and name HN) (resid 107 and name HA)   3.400 1.6 0.0 !
assign (resid 110 and name HN) (resid 107 and name HG2#) 6.000 4.2 0.0 !
assign (resid 110 and name HN) (resid 108 and name HA)   5.000 3.2 0.0 !
assign (resid 110 and name HN) (resid 108 and name HB)   6.000 4.2 0.0 !
assign (resid 110 and name HN) (resid 108 and name HN)   5.000 3.2 0.0 !
assign (resid 110 and name HN) (resid 109 and name HA)   3.400 1.6 0.0 !
assign (resid 110 and name HN) (resid 109 and name HB#)  3.808 2.008 0.0 !
assign (resid 110 and name HN) (resid 110 and name HA)   2.800 1.0 0.0 !
assign (resid 110 and name HN) (resid 110 and name HG#)  3.808 2.008 0.0 !
assign (resid 110 and name HN) (resid 111 and name HN)   2.800 1.0 0.0 !
assign (resid 110 and name HN) (resid 112 and name HN)   5.000 3.2 0.0 !

assign (resid 111 and name HN) (resid 107 and name HG2#) 6.000 4.2 0.0 !
assign (resid 111 and name HN) (resid 108 and name HG2#) 6.000 4.2 0.0 !
assign (resid 111 and name HN) (resid 108 and name HA)   3.400 1.6 0.0 !
assign (resid 111 and name HN) (resid 109 and name HB#)  5.600 3.8 0.0 !
assign (resid 111 and name HN) (resid 110 and name HA)   3.400 1.6 0.0 !
assign (resid 111 and name HN) (resid 110 and name HG#)  5.600 3.8 0.0 !
assign (resid 111 and name HN) (resid 111 and name HB#)  2.800 1.0 0.0 !
assign (resid 111 and name HN) (resid 111 and name HD#)  3.136 1.336 0.0 !
assign (resid 111 and name HN) (resid 111 and name HE#)  5.600 3.8 0.0 !
assign (resid 111 and name HN) (resid 112 and name HN)   2.800 1.0 0.0 !
assign (resid 111 and name HN) (resid 112 and name HA)   6.000 4.2 0.0 !
assign (resid 111 and name HN) (resid 113 and name HN)   5.000 3.2 0.0 !

assign (resid 112 and name HN) (resid 108 and name HA)   5.000 3.2 0.0 !
assign (resid 112 and name HN) (resid 108 and name HG2#) 6.000 4.2 0.0 !
assign (resid 112 and name HN) (resid 109 and name HA)   3.400 1.6 0.0 !
assign (resid 112 and name HN) (resid 109 and name HB#)  5.600 3.8 0.0 !
assign (resid 112 and name HN) (resid 110 and name HA)   5.000 3.2 0.0 !
assign (resid 112 and name HN) (resid 111 and name HA)   3.400 1.6 0.0 !
assign (resid 112 and name HN) (resid 111 and name HB#)  3.400 1.6 0.0 !
assign (resid 112 and name HN) (resid 111 and name HD#)  5.600 3.8 0.0 !
assign (resid 112 and name HN) (resid 112 and name HA)   2.800 1.0 0.0 !
assign (resid 112 and name HN) (resid 112 and name HB#)  3.136 1.336 0.0 !
assign (resid 112 and name HN) (resid 112 and name HG#)  3.400 1.6 0.0 !
assign (resid 112 and name HN) (resid 112 and name HD#)  5.600 3.8 0.0 !
assign (resid 112 and name HN) (resid 113 and name HN)   2.800 1.0 0.0 !
assign (resid 112 and name HN) (resid 113 and name HA)   6.000 4.2 0.0 !

assign (resid 113 and name HN) (resid 109 and name HA)   5.000 3.2 0.0 !
assign (resid 113 and name HN) (resid 110 and name HA)   3.400 3.2 0.0 !
assign (resid 113 and name HN) (resid 110 and name HN)   6.000 4.2 0.0 !
assign (resid 113 and name HN) (resid 112 and name HB#)  3.136 1.336 0.0 !
assign (resid 113 and name HN) (resid 112 and name HD#)  5.600 3.8 0.0 !
assign (resid 113 and name HN) (resid 112 and name HG#)  5.600 3.8 0.0 !
assign (resid 113 and name HN) (resid 112 and name HE#)  5.600 3.8 0.0 !
assign (resid 113 and name HN) (resid 113 and name HA)   2.800 1.0 0.0 !
assign (resid 113 and name HN) (resid 113 and name HB#)  2.800 1.0 0.0 !
assign (resid 113 and name HN) (resid 114 and name HN)   2.800 1.0 0.0 !
assign (resid 113 and name HN) (resid 114 and name HB#)  6.000 4.2 0.0 !
assign (resid 113 and name HN) (resid 115 and name HN)   5.000 3.2 0.0 !

assign (resid 114 and name HN) (resid 110 and name HA)   5.000 3.2 0.0 !
assign (resid 114 and name HN) (resid 112 and name HB#)  5.600 3.8 0.0 !
assign (resid 114 and name HN) (resid 112 and name HN)   5.000 3.2 0.0 !
assign (resid 114 and name HN) (resid 113 and name HB#)  3.400 1.6 0.0 !
assign (resid 114 and name HN) (resid 114 and name HA)   2.800 1.0 0.0 !
assign (resid 114 and name HN) (resid 114 and name HB#)  3.360 1.56 0.0 !
assign (resid 114 and name HN) (resid 115 and name HN)   2.800 1.0 0.0 !


!NOEs from 3D 13C-edited Noesy (50ms)
!Correction for multiplicity as suggested by 
!C. Fletcher et al. Journal of Biomol. NMR, 8 (1996) 292-310

assign (resid 2 and name HA)  (resid 99 and name HB#)   3.808 2.008 0.0 !

assign (resid 3 and name HA)  (resid 18 and name HB)    5.000 3.2 0.0 !
assign (resid 3 and name HA)  (resid 100 and name HD1#) 6.000 4.2 0.0 !
assign (resid 3 and name HB#) (resid 18 and name HB)    5.000 3.2 0.0 !
assign (resid 3 and name HB#) (resid 18 and name HD1#)  6.000 4.2 0.0 !
assign (resid 3 and name HD2) (resid 18 and name HB)    3.400 1.6 0.0 !
assign (resid 3 and name HD2) (resid 18 and name HG2#)  4.080 2.28 0.0 !
assign (resid 3 and name HD2) (resid 20 and name HG#)   5.000 3.2 0.0 !
assign (resid 3 and name HD2) (resid 103 and name HG2#) 6.000 4.2 0.0 !

assign (resid 4 and name HA) (resid 17 and name HA)    2.800 1.0 0.0 !
assign (resid 4 and name HA) (resid 17 and name HB#)   6.000 4.2 0.0 !
assign (resid 4 and name HA) (resid 100 and name HD1#)  4.080 2.28 0.0 !
assign (resid 4 and name HB#) (resid 100 and name HD1#) 6.700 4.9 0.0 !
assign (resid 4 and name HB#) (resid 17 and name HB#)  4.560 2.76 0.0 !

assign (resid 96 and name HG1#) (resid 5 and name HA#) 4.560 2.76 0.0 !
assign (resid 96 and name HG2#) (resid 5 and name HA#) 6.000 4.2 0.0 !

assign (resid 6 and name HA)  (resid 15 and name HA)   2.800 1.0 0.0 !
assign (resid 6 and name HA)  (resid 15 and name HG1#) 5.000 3.2 0.0 !
assign (resid 6 and name HA)  (resid 7 and name HB#)   6.000 4.2 0.0 !
assign (resid 6 and name HB#) (resid 7 and name HA)    6.000 4.2 0.0 !

assign (resid 7 and name HA)  (resid 16 and name HD1#) 6.000 4.2 0.0 !
assign (resid 7 and name HB#) (resid 89 and name HB#)  5.500 3.7 0.0 !
assign (resid 7 and name HB#) (resid 16 and name HG1#) 4.560 2.76 0.0 !

assign (resid 8 and name HA)   (resid 13 and name HA)  2.800 1.0 0.0 !
assign (resid 8 and name HA)   (resid 8 and name HG2#) 5.500 3.7 0.0 !
assign (resid 8 and name HB)   (resid 90 and name HB#) 3.400 1.6 0.0 !
assign (resid 8 and name HG2#) (resid 90 and name HB#) 4.560 2.76 0.0 !
assign (resid 8 and name HD1#) (resid 90 and name HB#) 6.000 4.2 0.0 !
assign (resid 8 and name HG2#) (resid 9 and name HA)   6.000 4.2 0.0 !
assign (resid 8 and name HG2#) (resid 12 and name HA)  6.000 4.2 0.0 !

assign (resid 9 and name HD#) (resid 9 and name HA) 3.400 1.6 0.0 !
assign (resid 9 and name HA) (resid 89 and name HA) 5.000 3.2 0.0 !

assign (resid 11 and name HA)  (resid 8 and name HD1#)  6.000 4.2 0.0 !
assign (resid 11 and name HA)  (resid 8 and name HG2#)  3.360 1.56 0.0 !
assign (resid 11 and name HG#) (resid 10 and name HA)   5.600 3.8 0.0 !

assign (resid 12 and name HA)   (resid 12 and name HB)  3.400 1.6 0.0 !
assign (resid 12 and name HG#)  (resid 12 and name HA)  3.360 1.56 0.0 !
assign (resid 12 and name HG#)  (resid 31 and name HB#) 4.560 2.76 0.0 !

assign (resid 13 and name HA) (resid 8 and name HD1#)    6.000 4.2 0.0 !
assign (resid 13 and name HA) (resid 8 and name HG1#)    3.808 2.008 0.0 !
assign (resid 13 and name HA) (resid 8 and name HG2#)    6.000 4.2 0.0 !
assign (resid 13 and name HB#) (resid 8 and name HG1#)   6.700 4.9 0.0 !
assign (resid 13 and name HB#) (resid 8 and name HD1#)   6.700 4.9 0.0 !
assign (resid 13 and name HB#) (resid 32 and name HG2#)  6.000 4.2 0.0 !

assign (resid 14 and name HA#) (resid 32 and name HG2#) 6.000 4.2 0.0 !

assign (resid 15 and name HA)   (resid 6 and name HB#) 4.080 2.28 0.0 !
assign (resid 15 and name HD1#) (resid 6 and name HA)  4.080 2.28 0.0 !
assign (resid 15 and name HA)   (resid 7 and name HB#) 6.000 4.2 0.0 !
assign (resid 15 and name HG2#) (resid 4 and name HA)  6.000 4.2 0.0 !
assign (resid 15 and name HG2#) (resid 4 and name HB#) 4.560 2.76 0.0 !
assign (resid 15 and name HG2#) (resid 6 and name HA)  4.080 2.28 0.0 !
assign (resid 15 and name HG2#) (resid 17 and name HA) 6.000 4.2 0.0 !

assign (resid 16 and name HD1#) (resid 7 and name HB#) 5.400 3.6 0.0 !
assign (resid 16 and name HA)   (resid 16 and name HD1#) 6.000 4.2 0.0 !
assign (resid 16 and name HA)   (resid 16 and name HG2#) 4.400 2.6 0.0 !
assign (resid 16 and name HA)   (resid 27 and name HD#) 6.000 4.2 0.0 !
assign (resid 16 and name HG1#) (resid 29 and name HA)  5.000 3.2 0.0 !
assign (resid 16 and name HG2#) (resid 29 and name HA)  6.000 4.2 0.0 !

assign (resid 17 and name HA)  (resid 4 and name HB#) 3.400 1.6 0.0 !
assign (resid 17 and name HB#) (resid 28 and name HB) 4.080 2.28 0.0 !

assign (resid 18 and name HA) (resid 27 and name HA)  2.800 1.0 0.0 !
assign (resid 18 and name HD1#) (resid 3 and name HA) 4.080 2.28 0.0 !

assign (resid 19 and name HB#)  (resid 22 and name HG#)  6.700 4.9 0.0 !
assign (resid 19 and name HB#)  (resid 26 and name HB#)  5.600 3.8 0.0 !

assign (resid 20 and name HA) (resid 25 and name HA) 3.400 1.6 0.0 !
assign (resid 20 and name HA) (resid 25 and name HB#) 4.080 2.28 0.0 !
assign (resid 20 and name HB#) (resid 20 and name HA) 3.400 1.6 0.0 !
assign (resid 20 and name HG#) (resid 20 and name HA) 5.000 3.2 0.0 !
assign (resid 20 and name HB#) (resid 25 and name HB#) 6.000 4.2 0.0 !

assign (resid 21 and name HB#) (resid 21 and name HA) 3.400 1.6 0.0 !

assign (resid 22 and name HB) (resid 22 and name HA) 2.800 1.0 0.0 !
assign (resid 22 and name HB) (resid 25 and name HA) 5.000 3.2 0.0 !
assign (resid 22 and name HG#) (resid 21 and name HA) 6.700 4.9 0.0 !
assign (resid 22 and name HG#) (resid 21 and name HB#) 6.700 4.9 0.0 !
assign (resid 22 and name HG#) (resid 22 and name HA) 3.750 1.95 0.0 !
assign (resid 22 and name HG#) (resid 22 and name HB) 3.360 1.56 0.0 !
assign (resid 22 and name HG#) (resid 25 and name HA) 4.080 2.28 0.0 !
assign (resid 22 and name HG#) (resid 20 and name HA) 6.700 4.9 0.0 !

assign (resid 23 and name HB#) (resid 24 and name HA) 5.000 3.2 0.0 !

assign (resid 24 and name HB#) (resid 23 and name HA) 5.000 3.2 0.0 !

assign (resid 25 and name HB#) (resid 20 and name HG#) 6.000 4.2 0.0 !
assign (resid 25 and name HB#) (resid 42 and name HD#) 5.000 3.2 0.0 !

assign (resid 26 and name HG#) (resid 22 and name HG#)  6.700 4.9 0.0 !
assign (resid 26 and name HA)  (resid 26 and name HB#)  3.400 1.6 0.0 !
assign (resid 26 and name HA)  (resid 26 and name HG#)  3.808 2.008 0.0 !
assign (resid 26 and name HA)  (resid 41 and name HA)   2.800 1.0 0.0 !
assign (resid 26 and name HG#) (resid 41 and name HA)   5.000 3.2 0.0 !

assign (resid 27 and name HD#) (resid 16 and name HD1#) 4.896 3.096 0.0 !
assign (resid 27 and name HD#) (resid 18 and name HA)   6.700 4.9 0.0 !
assign (resid 27 and name HA)  (resid 26 and name HB#)   5.000 3.2 0.0 !
assign (resid 27 and name HD#) (resid 40 and name HG2#) 4.508 2.708 0.0 !
assign (resid 27 and name HD#) (resid 40 and name HG1#) 5.474 3.674 0.0 !
assign (resid 27 and name HB#) (resid 40 and name HG1#) 6.000 4.2 0.0 !
assign (resid 27 and name HB#) (resid 40 and name HG2#) 6.000 4.2 0.0 !
assign (resid 27 and name HB#) (resid 42 and name HD#)  6.700 4.9 0.0 !

assign (resid 28 and name HA) (resid 27 and name HD#)  6.000 4.2 0.0 !
assign (resid 28 and name HG2#) (resid 29 and name HA) 6.000 4.2 0.0 !
assign (resid 28 and name HA) (resid 37 and name HG#)  6.750 4.95 0.0 !
assign (resid 28 and name HB) (resid 37 and name HG#)  6.750 4.95 0.0 !
assign (resid 28 and name HA) (resid 39 and name HG2#) 4.080 2.28 0.0 !
assign (resid 28 and name HB) (resid 39 and name HA)   5.000 3.2 0.0 !
assign (resid 28 and name HB) (resid 39 and name HG2#) 6.000 4.2 0.0 !
assign (resid 28 and name HG2#) (resid 39 and name HA) 4.080 2.28 0.0 !

assign (resid 29 and name HA) (resid 16 and name HA)    2.800 1.0 0.0 !
assign (resid 29 and name HA) (resid 16 and name HD1#)  6.000 4.2 0.0 !
assign (resid 29 and name HD1) (resid 16 and name HA)   5.000 3.2 0.0 !
assign (resid 29 and name HD1) (resid 16 and name HB)   5.000 3.2 0.0 !
assign (resid 29 and name HD1) (resid 16 and name HD1#)  6.000 4.2 0.0 !
assign (resid 29 and name HD1) (resid 16 and name HG1#) 3.400 1.6 0.0 !
assign (resid 29 and name HD1) (resid 29 and name HA)   5.000 3.2 0.0 !
assign (resid 29 and name HD1) (resid 29 and name HB#)  5.000 3.2 0.0 !
assign (resid 29 and name HB#) (resid 27 and name HD#)  6.700 4.9 0.0 !

assign (resid 30 and name HA) (resid 37 and name HA)   2.800 1.0 0.0 !
assign (resid 30 and name HA) (resid 37 and name HB)   5.000 3.2 0.0 !
assign (resid 30 and name HA) (resid 37 and name HG#)  4.590 2.79 0.0 !
assign (resid 30 and name HB#) (resid 37 and name HG#) 6.750 4.95 0.0 !
assign (resid 30 and name HD#) (resid 37 and name HG#) 6.750 4.95 0.0 !

assign (resid 31 and name HA) (resid 14 and name HA#)  3.808 2.008 0.0 !
assign (resid 31 and name HA) (resid 12 and name HG#)  6.700 4.9 0.0 !
assign (resid 31 and name HB#) (resid 36 and name HB#) 5.600 3.8 0.0 !
assign (resid 31 and name HB#) (resid 36 and name HD#) 5.600 3.8 0.0 !

assign (resid 33 and name HA) (resid 32 and name HG2#) 6.000 4.2 0.0 !

assign (resid 34 and name HA#) (resid 30 and name HG#) 5.600 3.8 0.0 !

assign (resid 35 and name HA) (resid 37 and name HG#)  6.750 4.95 0.0 !

assign (resid 36 and name HA) (resid 37 and name HG#)  6.750 4.95 0.0 !

assign (resid 37 and name HA) (resid 30 and name HB#) 5.000 3.2 0.0 !
assign (resid 37 and name HA) (resid 30 and name HG#) 5.000 3.2 0.0 !

assign (resid 38 and name HA) (resid 37 and name HG#)  6.750 4.95 0.0 !
assign (resid 38 and name HB#) (resid 29 and name HB#) 6.250 4.45 0.0 !

assign (resid 39 and name HA) (resid 40 and name HG#)  6.700 4.9 0.0 !
assign (resid 39 and name HA) (resid 27 and name HD#)  6.700 4.9 0.0 !
assign (resid 39 and name HA) (resid 37 and name HG#)  6.750 4.95 0.0 !
assign (resid 39 and name HB) (resid 28 and name HA)   5.000 3.2 0.0 !
assign (resid 39 and name HB) (resid 28 and name HG2#) 6.000 4.2 0.0 !

assign (resid 40 and name HA) (resid 40 and name HG#) 3.360 1.56 0.0 !
assign (resid 40 and name HB) (resid 27 and name HD#)  6.000 4.2 0.0 !

assign (resid 41 and name HA) (resid 26 and name HB#)  5.000 3.2 0.0 !
assign (resid 41 and name HA) (resid 41 and name HG#)  3.360 1.56 0.0 !
assign (resid 41 and name HB) (resid 44 and name HG2#) 4.080 2.28 0.0 !

assign (resid 42 and name HD#) (resid 18 and name HA)   6.700 4.9 0.0 !
assign (resid 42 and name HB#) (resid 25 and name HB#)  6.000 4.2 0.0 !
assign (resid 42 and name HG) (resid 26 and name HA)    3.400 1.6 0.0 !
assign (resid 42 and name HA) (resid 40 and name HG1#)  5.000 3.2 0.0 !
assign (resid 42 and name HD#) (resid 40 and name HG1#) 4.56  2.76 0.0 !
assign (resid 42 and name HD#) (resid 40 and name HG2#) 6.700 4.9 0.0 !
assign (resid 42 and name HA) (resid 42 and name HD#)   3.760 1.96 0.0 !
assign (resid 42 and name HA) (resid 45 and name HB)    5.000 3.2 0.0 !
assign (resid 42 and name HA) (resid 45 and name HG1#)  5.000 3.2 0.0 !
assign (resid 42 and name HA) (resid 45 and name HD1#)  6.000 4.2 0.0 !
assign (resid 42 and name HD#) (resid 104 and name HA)  6.000 4.2 0.0 !
assign (resid 42 and name HB#) (resid 107 and name HG2#) 6.000 4.2 0.0 !

assign (resid 43 and name HA) (resid 111 and name HB#) 5.000 3.2 0.0 !

assign (resid 44 and name HB) (resid 45 and name HD1#) 6.000 4.2 0.0 !
assign (resid 44 and name HA) (resid 65 and name HD#)  3.808 2.008 0.0 !
assign (resid 44 and name HA) (resid 65 and name HE#)  5.600 3.8 0.0 !

assign (resid 45 and name HG1#) (resid 40 and name HG1#) 6.000 4.2 0.0 !
assign (resid 45 and name HG2#) (resid 40 and name HG1#) 7.200 5.4 0.0 !
assign (resid 45 and name HD1#) (resid 40 and name HG1#) 4.032 2.232 0.0 !
assign (resid 45 and name HD1#) (resid 40 and name HG2#) 7.200 5.4 0.0 !
assign (resid 45 and name HA) (resid 45 and name HD1#)   3.360 1.56 0.0 !
assign (resid 45 and name HG2#) (resid 62 and name HA)   6.000 4.2 0.0 !
assign (resid 45 and name HD1#) (resid 62 and name HB#)  5.600 3.8 0.0 !
assign (resid 45 and name HD1#) (resid 62 and name HD#)   5.480 3.68 0.0 !

assign (resid 46 and name HB#) (resid 63 and name HG2#)  6.700 4.9 0.0 !
assign (resid 46 and name HA)  (resid 65 and name HE#)   5.000 3.2 0.0 !
assign (resid 46 and name HA)  (resid 65 and name HG#)   5.000 3.2 0.0 !
assign (resid 46 and name HB#) (resid 65 and name HA)    3.808 2.008 0.0 !
assign (resid 46 and name HB#) (resid 65 and name HG#)   5.000 3.2 0.0 !
assign (resid 46 and name HB#) (resid 47 and name HG#)   5.600 3.8 0.0 !

assign (resid 47 and name HB#)  (resid 63 and name HD1#)  6.000 4.2 0.0 !
assign (resid 47 and name HB#)  (resid 63 and name HG2#)  6.000 4.2 0.0 !
assign (resid 47 and name HA)  (resid 108 and name HG2#)  4.080 2.28 0.0 !
assign (resid 47 and name HB#) (resid 63 and name HB)     3.808 2.008 0.0 !

assign (resid 48 and name HA) (resid 63 and name HD1#)    6.000 4.2 0.0 !

assign (resid 49 and name HB#) (resid 63 and name HD1#)   6.000 4.2 0.0 !
assign (resid 49 and name HG#) (resid 63 and name HD1#)   6.000 4.2 0.0 !

assign (resid 50 and name HA) (resid 60 and name HD#)   4.560 2.76 0.0 !
assign (resid 50 and name HB#) (resid 101 and name HD#) 3.808 2.008 0.0 !
assign (resid 50 and name HB#) (resid 101 and name HE#) 3.808 2.008 0.0 !


assign (resid 51 and name HG2#) (resid 50 and name HA)  6.000 4.2 0.0 !
assign (resid 51 and name HA)   (resid 52 and name HD#) 2.800 1.0 0.0 !
assign (resid 51 and name HB)   (resid 55 and name HB#) 3.808 2.008 0.0 !
assign (resid 51 and name HB)   (resid 52 and name HD#) 3.808 2.008 0.0 !
assign (resid 51 and name HG2#) (resid 55 and name HB#) 6.000 4.2 0.0 !
assign (resid 51 and name HG2#) (resid 58 and name HA)  6.000 4.2 0.0 !
assign (resid 51 and name HG2#) (resid 59 and name HA)  6.000 4.2 0.0 !
assign (resid 51 and name HG2#) (resid 59 and name HG#) 4.560 2.76 0.0 !
assign (resid 51 and name HG2#) (resid 59 and name HB#) 4.560 2.76 0.0 !

assign (resid 52 and name HA) (resid 53 and name HB#)   6.000 4.2 0.0 !
assign (resid 52 and name HD#) (resid 51 and name HG2#) 6.000 4.2 0.0 !

assign (resid 53 and name HA) (resid 94 and name HD#)  5.600 3.8 0.0 !
assign (resid 53 and name HB#) (resid 94 and name HD#) 6.000 4.2 0.0 !

assign (resid 55 and name HB#) (resid 52 and name HG#) 5.600 3.8 0.0 !

assign (resid 57 and name HA) (resid 57 and name HB#) 3.400 1.6 0.0 !

assign (resid 58 and name HB#) (resid 91 and name HB#) 5.600 3.8 0.0 !

assign (resid 59 and name HA) (resid 90 and name HA) 2.800 1.0 0.0 !
assign (resid 59 and name HA) (resid 90 and name HB#) 5.000 3.2 0.0 !

assign (resid 60 and name HA)  (resid 50 and name HA)  2.800 1.0 0.0 !
assign (resid 60 and name HB#) (resid 50 and name HA)  5.600 3.8 0.0 !
assign (resid 60 and name HA)  (resid 50 and name HB#) 4.080 2.28 0.0 !
assign (resid 60 and name HD#) (resid 50 and name HB#) 5.470 3.67 0.0 !
assign (resid 60 and name HD#) (resid 101 and name HA) 6.000 4.2 0.0 !

assign (resid 61 and name HA) (resid 62 and name HD#)   6.000 4.2 0.0 !
assign (resid 61 and name HB#) (resid 63 and name HD1#) 6.000 4.2 0.0 !
assign (resid 61 and name HA) (resid 88 and name HA)    2.800 1.0 0.0 !
assign (resid 61 and name HA) (resid 88 and name HG#)   5.000 3.2 0.0 !
assign (resid 61 and name HB#) (resid 88 and name HA)   5.000 3.2 0.0 !
assign (resid 61 and name HG#) (resid 88 and name HG#)  5.000 3.2 0.0 !

assign (resid 62 and name HA) (resid 48 and name HA)    2.800 1.0 0.0 !
assign (resid 62 and name HG) (resid 62 and name HA)    3.400 1.6 0.0 !
assign (resid 62 and name HA) (resid 45 and name HD1#)  6.000 4.2 0.0 !
assign (resid 62 and name HA) (resid 63 and name HD1#)  6.000 4.2 0.0 !
assign (resid 62 and name HB#) (resid 87 and name HB#)  5.000 3.2 0.0 !
assign (resid 62 and name HG) (resid 48 and name HA)    5.000 3.2 0.0 !
assign (resid 62 and name HG) (resid 45 and name HD1#)  6.000 4.2 0.0 !
assign (resid 62 and name HD#) (resid 62 and name HA)   4.560 2.76 0.0 !
assign (resid 62 and name HD#) (resid 48 and name HA)   5.600 3.8 0.0 !

assign (resid 63 and name HB) (resid 47 and name HG#)   5.600 3.8 0.0 !
assign (resid 63 and name HG2#) (resid 47 and name HE#) 6.700 4.9 0.0 !
assign (resid 63 and name HD1#) (resid 47 and name HE#) 6.700 4.9 0.0 !
assign (resid 63 and name HD1#) (resid 61 and name HD#) 4.560 2.76 0.0 !
assign (resid 63 and name HG2#) (resid 84 and name HB#) 6.000 4.2 0.0 !
assign (resid 63 and name HA) (resid 63 and name HG2#)  3.360 1.56 0.0 !
assign (resid 63 and name HA) (resid 86 and name HG#)   5.000 3.2 0.0 !
assign (resid 63 and name HA) (resid 86 and name HD#)   5.600 3.8 0.0 !
assign (resid 63 and name HG2#) (resid 86 and name HD#) 6.700 4.9 0.0 !
assign (resid 63 and name HG2#) (resid 86 and name HG#) 6.000 4.2 0.0 !
assign (resid 63 and name HD1#) (resid 86 and name HB#) 6.700 4.9 0.0 !
assign (resid 63 and name HD1#) (resid 86 and name HG#) 6.700 4.9 0.0 !

assign (resid 64 and name HA#) (resid 45 and name HD1#) 4.560 2.76 0.0 !
assign (resid 64 and name HA#) (resid 45 and name HG2#) 6.700 4.9 0.0 !
assign (resid 64 and name HA#) (resid 45 and name HA)   3.808 2.008 0.0 !


assign (resid 66 and name HA) (resid 66 and name HG#)   3.360 1.56 0.0 !
assign (resid 66 and name HA) (resid 84 and name HB#)   5.000 3.2 0.0 !
assign (resid 66 and name HA) (resid 84 and name HA)    5.000 3.2 0.0 !
assign (resid 66 and name HG#) (resid 84 and name HD#)  6.000 4.2 0.0 !

assign (resid 84 and name HA) (resid 66 and name HG#)   6.000 4.2 0.0 !
assign (resid 84 and name HA) (resid 63 and name HG2#)  6.000 4.2 0.0 !
assign (resid 84 and name HB#) (resid 66 and name HG#)  6.700 4.9 0.0 !
assign (resid 84 and name HG#) (resid 66 and name HA)   5.600 3.8 0.0 !
assign (resid 84 and name HG#) (resid 63 and name HG2#) 6.700 4.9 0.0 !
assign (resid 84 and name HG#) (resid 66 and name HG#)  6.700 4.9 0.0 !

assign (resid 86 and name HA) (resid 63 and name HA) 3.400 1.6 0.0 !
assign (resid 86 and name HA) (resid 63 and name HD1#)  6.000 4.2 0.0 !
assign (resid 86 and name HA) (resid 63 and name HG2#) 6.000 4.2 0.0 !

assign (resid 87 and name HB#) (resid 62 and name HD#)  6.000 4.2 0.0 
assign (resid 87 and name HB#) (resid 40 and name HG2#) 6.000 4.2 0.0 !

assign (resid 88 and name HA) (resid 61 and name HG#) 5.000 3.2 0.0 !
assign (resid 88 and name HB#) (resid 61 and name HA) 5.000 3.2 0.0 !

assign (resid 89 and name HA) (resid 7 and name HB#)   6.000 4.2 0.0 !
assign (resid 89 and name HD#) (resid 62 and name HD#) 7.500 5.7 0.0 !
assign (resid 89 and name HD#) (resid 89 and name HA)  7.000 5.2 0.0 !

assign (resid 90 and name HA) (resid 59 and name HG#)  5.000 3.2 0.0 !
assign (resid 90 and name HA) (resid 59 and name HB#)  5.000 3.2 0.0 !
assign (resid 90 and name HB#) (resid 59 and name HG#) 5.000 3.2 0.0 !
assign (resid 90 and name HB#) (resid 59 and name HE#) 6.000 4.2 0.0 !

assign (resid 91 and name HA) (resid 7 and name HA)    3.400 1.6 0.0 !
assign (resid 91 and name HA) (resid 7 and name HB#)   6.000 4.2 0.0 !
assign (resid 91 and name HA) (resid 8 and name HD1#)  6.000 4.2 0.0 !
assign (resid 91 and name HD#) (resid 58 and name HG#) 7.000 5.2 0.0 !
assign (resid 91 and name HD#) (resid 91 and name HA)  5.600 3.8 0.0 !

assign (resid 92 and name HB#) (resid 8 and name HD1#) 6.700 4.9 0.0 !

assign (resid 94 and name HA) (resid 94 and name HD#) 5.000 3.2 0.0 !
assign (resid 94 and name HA) (resid 97 and name HB#) 5.600 3.8 0.0 !

assign (resid 95 and name HA) (resid 98 and name HB#)  3.808 2.008 0.0 !
assign (resid 95 and name HA) (resid 95 and name HG2#) 3.360 1.56 0.0 !
assign (resid 95 and name HB) (resid 96 and name HG2#) 6.000 4.2 0.0 !
assign (resid 95 and name HB) (resid 96 and name HA)   5.000 3.2 0.0 !

assign (resid 96 and name HB) (resid 93 and name HB#)   5.000 3.2 0.0 !
assign (resid 96 and name HG2#) (resid 96 and name HA)  3.360 1.56 0.0 !
assign (resid 96 and name HA) (resid 99 and name HB#)   3.808 2.008 0.0 !
assign (resid 96 and name HG2#) (resid 93 and name HB#) 3.400 1.6 0.0 !

assign (resid 97 and name HA) (resid 97 and name HB#)   3.400 1.6 0.0 !
assign (resid 97 and name HA) (resid 100 and name HG2#) 6.000 4.2 0.0 !

assign (resid 98 and name HA) (resid 101 and name HB#) 3.400 1.6 0.0 !
assign (resid 98 and name HA) (resid 101 and name HD#) 5.000 3.2 0.0 !
assign (resid 98 and name HA) (resid 101 and name HE#) 3.808 2.008 0.0 !

assign (resid 99 and name HA) (resid 102 and name HB#) 5.000 3.2 0.0 !
assign (resid 99 and name HA) (resid 102 and name HE#) 6.000 4.2 0.0 !

assign (resid 100 and name HD1#) (resid 5 and name HA#)  5.500 3.7 0.0 !
assign (resid 100 and name HD1#) (resid 16 and name HD1#) 6.000 4.2 0.0 !
assign (resid 100 and name HD1#) (resid 16 and name HB)  6.000 4.2 0.0 !
assign (resid 100 and name HD1#) (resid 17 and name HA)   6.000 4.2 0.0 !
assign (resid 100 and name HB) (resid 60 and name HD#)   6.700 4.9 0.0 !
assign (resid 100 and name HD1#) (resid 100 and name HA) 3.360 1.56 0.0 !
assign (resid 100 and name HD1#) (resid 100 and name HB) 5.500 3.7 0.0 !
assign (resid 100 and name HG2#) (resid 100 and name HA) 4.080 2.28 0.0 !
assign (resid 100 and name HA) (resid 103 and name HB)   3.400 1.6 0.0 !

assign (resid 101 and name HA) (resid 104 and name HB#) 3.400 1.6 0.0 !
assign (resid 101 and name HA) (resid 104 and name HD#) 4.560 2.76 0.0 !

assign (resid 102 and name HA) (resid 105 and name HB#) 3.800 2.0 0.0 !
assign (resid 102 and name HA) (resid 101 and name HG#) 5.000 3.2 0.0 !
assign (resid 102 and name HA) (resid 105 and name HG#) 5.000 3.2 0.0 !
assign (resid 102 and name HG#) (resid 99 and name HA)  5.000 3.2 0.0 !

assign (resid 103 and name HA) (resid 106 and name HB#)  5.000 3.2 0.0 !
assign (resid 103 and name HG2#) (resid 3 and name HA)   6.000 4.2 0.0 !
assign (resid 103 and name HB) (resid 100 and name HG2#) 6.000 4.2 0.0 !
assign (resid 103 and name HB) (resid 100 and name HD1#) 6.000 4.2 0.0 !
assign (resid 103 and name HG2#) (resid 100 and name HA) 6.000 4.2 0.0 !

assign (resid 104 and name HA) (resid 107 and name HB)   3.400 1.6 0.0 !
assign (resid 104 and name HA) (resid 107 and name HD1#) 4.080 2.28 0.0 !
assign (resid 104 and name HA) (resid 107 and name HG2#) 6.000 4.2 0.0 !
assign (resid 104 and name HD#) (resid 107 and name HB)  6.700 4.9 0.0 !
assign (resid 104 and name HD#) (resid 62 and name HD#) 6.000 4.2 0.0 !
assign (resid 104 and name HD#) (resid 27 and name HD#) 6.000 4.2 0.0 !

assign (resid 105 and name HB#) (resid 48 and name HD#)  6.750 4.95 0.0 !
assign (resid 105 and name HA) (resid 108 and name HB)   3.400 1.6 0.0 !
assign (resid 105 and name HA) (resid 108 and name HD1#) 4.080 2.28 0.0 !
assign (resid 105 and name HA) (resid 108 and name HG2#) 6.000 4.2 0.0 !
assign (resid 105 and name HA) (resid 108 and name HG1#) 5.000 3.2 0.0 !

assign (resid 106 and name HG#) (resid 103 and name HA) 5.000 3.2 0.0 !
assign (resid 106 and name HA) (resid 106 and name HG#) 3.808 2.008 0.0 !

assign (resid 107 and name HD1#)  (resid 20 and name HG#)   6.000 4.2 0.0 !
assign (resid 107 and name HG2#)  (resid 25 and name HB#)   4.050 2.25 0.0 !
assign (resid 107 and name HD1#)  (resid 25 and name HB#)   4.900 3.1 0.0 !
assign (resid 107 and name HG1#)  (resid 103 and name HG2#) 6.700 4.9 0.0 !
assign (resid 107 and name HA)  (resid 107 and name HD1#)   6.000 4.2 0.0 !
assign (resid 107 and name HG1#)  (resid 107 and name HA)   5.000 3.2 0.0 !
assign (resid 107 and name HA)   (resid 110 and name HG#)   5.000 3.2 0.0 !
assign (resid 107 and name HG2#)  (resid 110 and name HD#)  6.700 4.9 0.0 !

assign (resid 108 and name HG2#) (resid 45 and name HB)   6.000 4.2 0.0 !
assign (resid 108 and name HD1#) (resid 48 and name HA)   6.000 4.2 0.0 !
assign (resid 108 and name HD1#) (resid 104 and name HB#) 5.000 3.2 0.0 !
assign (resid 108 and name HA) (resid 107 and name HG2#)  6.000 1.6 0.0 !
assign (resid 108 and name HA) (resid 108 and name HG2#)  3.360 1.56 0.0 !
assign (resid 108 and name HA) (resid 108 and name HD1#)  4.080 2.28 0.0 !
assign (resid 108 and name HA) (resid 111 and name HB#)   5.000 3.2 0.0 !
assign (resid 108 and name HG2#) (resid 112 and name HD#) 6.700 4.9 0.0 !

assign (resid 109 and name HA) (resid 112 and name HB#)  3.808 2.008 0.0 !
assign (resid 109 and name HA) (resid 108 and name HG2#) 6.000 4.2 0.0 !
assign (resid 109 and name HA) (resid 112 and name HD#)  5.600 3.8 0.0 !
assign (resid 109 and name HA) (resid 112 and name HG#)  5.000 3.2 0.0 !

assign (resid 110 and name HB#) (resid 107 and name HA)   5.600 3.8 0.0 !
assign (resid 110 and name HD#) (resid 107 and name HA)   5.000 3.2 0.0 !
assign (resid 110 and name HG#) (resid 110 and name HA)   3.400 1.6 0.0 !
assign (resid 110 and name HA) (resid 113 and name HB#)   5.000 3.2 0.0 !

assign (resid 111 and name HD#) (resid 111 and name HA) 5.400 3.6 0.0 !
assign (resid 111 and name HA) (resid 114 and name HB#) 6.000 4.2 0.0 !

assign (resid 112 and name HE#) (resid 108 and name HG2#) 4.590 2.79 0.0 !
assign (resid 112 and name HA) (resid 112 and name HG#)   3.808 2.008 0.0 !
assign (resid 112 and name HA) (resid 115 and name HB#)   5.600 3.8 0.0 !

assign (resid 113 and name HA) (resid 113 and name HB#)   3.136 1.336 0.0 !

assign (resid 114 and name HB#) (resid 115 and name HA)   6.000 4.2 0.0 !

assign (resid 103 and name HG2#) (resid 3 and name HE1) 6.000 4.2 0.0 !


!NOEs from 2D 1H-1H Noesy (120ms)
!Correction for multiplicity as suggested by
!C. Fletcher et al. Journal of Biomol. NMR, 8 (1996) 292-310

assign (resid 9 and name HD#) (resid 9 and name HB#)  5.600 3.8 0.0 !
assign (resid 9 and name HD#) (resid 29 and name HE3) 5.600 3.8 0.0 !
assign (resid 9 and name HD#) (resid 29 and name HZ2) 5.600 3.8 0.0 !
assign (resid 9 and name HD#) (resid 29 and name HZ3) 5.600 3.8 0.0 !
assign (resid 9 and name HD#) (resid 89 and name HD#) 6.250 4.45 0.0 !
assign (resid 9 and name HD#) (resid 89 and name HE#) 6.250 4.45 0.0 !
assign (resid 9 and name HE#) (resid 38 and name HE1) 5.600 3.8 0.0 !
assign (resid 9 and name HZ) (resid 38 and name HE1)  3.400 1.6 0.0 !

assign (resid 29 and name HD1) (resid 7 and name HB#)  4.080 2.28 0.0 !
assign (resid 29 and name HZ2) (resid 12 and name HG#) 4.560 2.76 0.0 !
assign (resid 29 and name HH2) (resid 12 and name HG#) 4.560 2.76 0.0 !
assign (resid 29 and name HH2) (resid 12 and name HB)  5.000 3.2 0.0 !
assign (resid 29 and name HZ2) (resid 12 and name HB)  5.000 3.2 0.0 !
assign (resid 29 and name HH2) (resid 31 and name HB#) 5.000 3.2 0.0 !
assign (resid 29 and name HE3) (resid 37 and name HA)  5.000 3.2 0.0 !

assign (resid 38 and name HB#) (resid 38 and name HD2)  5.000 3.2 0.0 !
assign (resid 38 and name HE1) (resid 87 and name HE1)  2.800 1.0 0.0 !
assign (resid 38 and name HD2) (resid 40 and name HG2#) 4.080 2.28 0.0 !

assign (resid 87 and name HD2) (resid 40 and name HG#) 6.000 4.2 0.0 !
assign (resid 87 and name HD2) (resid 86 and name HA)  5.000 3.2 0.0 !
assign (resid 87 and name HD2) (resid 87 and name HB#) 5.000 3.2 0.0 !
assign (resid 87 and name HE1) (resid 40 and name HG#) 4.560 2.76 0.0 !

assign (resid 89 and name HD#) (resid 16 and name HD1#) 6.700 4.9 0.0 !
assign (resid 89 and name HD#) (resid 89 and name HB#)  6.300 4.5 0.0 !
assign (resid 89 and name HE#) (resid 27 and name HD2#) 6.700 4.9 0.0 !

assign (resid 91 and name HZ)  (resid 16 and name HD1#) 6.000 4.2 0.0 !
assign (resid 91 and name HD#) (resid 59 and name HA)   5.600 3.8 0.0 !
assign (resid 91 and name HE#) (resid 60 and name HB#)  5.600 3.8 0.0 !
assign (resid 91 and name HZ) (resid 60 and name HD#)   6.000 4.2 0.0 !
assign (resid 91 and name HD#) (resid 90 and name HA)   5.600 3.8 0.0 !
assign (resid 91 and name HD#) (resid 91 and name HB#)  5.600 3.8 0.0 !
assign (resid 91 and name HZ) (resid 100 and name HG2#) 6.000 4.2 0.0 !
assign (resid 91 and name HD#) (resid 96 and name HG1#) 4.560 2.76 0.0 !
assign (resid 91 and name HD#) (resid 96 and name HG2#) 6.700 4.9 0.0 !
assign (resid 91 and name HE#) (resid 96 and name HG1#) 6.700 4.9 0.0 !

assign (resid 111 and name HD#) (resid 43 and name HA)    5.600 3.8 0.0 !
assign (resid 111 and name HE#) (resid 43 and name HA)    5.600 3.8 0.0 !
assign (resid 111 and name HE#) (resid 107 and name HG2#) 4.560 2.76 0.0 !
assign (resid 111 and name HD#) (resid 108 and name HA)   5.600 3.8 0.0 !
assign (resid 111 and name HE#) (resid 25 and name HB#)   6.700 4.9 0.0 !
assign (resid 111 and name HD#) (resid 111 and name HB#)  5.600 3.8 0.0 !

! H-bond restraints for Tfb1 

! beta sheet H-Bonds

assign  (resid 19 and name o)
        (resid 26 and name hn) 2.0 0.7 0.5
assign  (resid 19 and name o)
        (resid 26 and name n) 3.0 0.7 0.5

assign  (resid 40 and name o)
        (resid 27 and name hn) 2.0 0.7 0.5
assign  (resid 40 and name o)
        (resid 27 and name n) 3.0 0.7 0.5
 
assign  (resid 17 and name o)
        (resid 28 and name hn) 2.0 0.7 0.5
assign  (resid 17 and name o)
        (resid 28 and name n) 3.0 0.7 0.5

assign  (resid 38 and name o)
        (resid 29 and name hn) 2.0 0.7 0.5
assign  (resid 38 and name o)
        (resid 29 and name n) 3.0 0.7 0.5

assign  (resid 15 and name o)
        (resid 30 and name hn) 2.0 0.7 0.5
assign  (resid 15 and name o)
        (resid 30 and name n) 3.0 0.7 0.5

assign  (resid 5  and name o)
        (resid 16 and name hn) 2.0 0.7 0.5
assign  (resid 5  and name o)
        (resid 16 and name n) 3.0 0.7 0.5
 
assign  (resid 28 and name o)
        (resid 17 and name hn) 2.0 0.7 0.5
assign  (resid 28 and name o)
        (resid 17 and name n) 3.0 0.7 0.5

assign  (resid 89 and name o)
        (resid 60 and name hn) 2.0 0.7 0.5
assign  (resid 89 and name o)
        (resid 60 and name n) 3.0 0.7 0.5

assign  (resid 87 and name o)
        (resid 62 and name hn) 2.0 0.7 0.5
assign  (resid 87 and name o)
        (resid 62 and name n) 3.0 0.7 0.5

assign  (resid 47 and name o)
        (resid 63 and name hn) 2.0 0.7 0.5
assign  (resid 47 and name o)
        (resid 63 and name n) 3.0 0.7 0.5

!remark phi and psi angles comtraints for Tfb1 (1-115)


!remark phi angles constraints

  !!    A7
 assign (resid  6 and name c ) (resid  7 and name n ) 
        (resid  7 and name ca) (resid  7 and name c )  1.0 -137.0 30.0 2
  !!    I8
 assign (resid  7 and name c ) (resid  8 and name n ) 
        (resid  8 and name ca) (resid  8 and name c )  1.0 -121.0 24.0 2
  !!    F9
 assign (resid  8 and name c ) (resid  9 and name n ) 
        (resid  9 and name ca) (resid  9 and name c )  1.0 -105.0 51.0 2
  !!    S13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )  1.0  -90.0 90.0 2  !not TALOS
  !!    I15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )  1.0 -125.0 34.5 2
  !!    I16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c )  1.0 -126.0 24.0 2
  !!    A17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c )  1.0 -112.0 24.0 2
  !!    I18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )  1.0 -104.0 27.0 2
  !!    N19
 assign (resid 18 and name c ) (resid 19 and name n ) 
        (resid 19 and name ca) (resid 19 and name c )  1.0 -104.0 22.5 2
  !!    E20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )  1.0  -96.0 22.5 2
  !!    A25
 assign (resid 24 and name c ) (resid 25 and name n ) 
        (resid 25 and name ca) (resid 25 and name c )  1.0  -95.0 40.5 2
  !!    E26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c )  1.0 -123.0 43.5 2
  !!    L27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )  1.0 -121.0 28.5 2
  !!    T28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )  1.0 -112.0 25.0 2
  !!    W29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c )  1.0 -114.0 20.0 2
  !!    R30
 assign (resid 29 and name c ) (resid 30 and name n ) 
        (resid 30 and name ca) (resid 30 and name c )  1.0 -115.0 30.0 2
  !!    S31
 assign (resid 30 and name c ) (resid 31 and name n ) 
        (resid 31 and name ca) (resid 31 and name c )  1.0  -75.0 28.5 2
  !!    K36
 assign (resid 35 and name c ) (resid 36 and name n ) 
        (resid 36 and name ca) (resid 36 and name c )  1.0 -124.0 48.0 2
  !!    V37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )  1.0 -128.0 24.0 2
  !!    H38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c )  1.0 -136.0 27.0 2
  !!    T39
 assign (resid 38 and name c ) (resid 39 and name n ) 
        (resid 39 and name ca) (resid 39 and name c )  1.0 -105.0 20.0 2
  !!    V40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )  1.0 -105.0 42.0 2
  !!    V41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  1.0  -71.0 33.0 2
  !!    L42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )  1.0  -68.0 20.0 2
  !!    K47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )  1.0 -140.0 45.0 2
  !!    L48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )  1.0 -114.0 33.0 2
  !!    Q49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )  1.0 -123.0 30.0 2
  !!    A50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )  1.0 -116.0 25.5 2
  !!    T51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )  1.0 -105.0 34.5 2
  !!    A53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c )  1.0  -71.0 20.0 2
  !!    S54
 assign (resid 53 and name c ) (resid 54 and name n ) 
        (resid 54 and name ca) (resid 54 and name c )  1.0 -110.0 20.0 2
  !!    S55
 assign (resid 54 and name c ) (resid 55 and name n ) 
        (resid 55 and name ca) (resid 55 and name c )  1.0  -80.0 27.0 2
  !!    M58
 assign (resid 57 and name c ) (resid 58 and name n ) 
        (resid 58 and name ca) (resid 58 and name c )  1.0 -109.0 45.0 2
  !!    M59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )  1.0 -121.0 30.0 2
  !!    L60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )  1.0 -141.0 25.5 2
  !!    R61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )  1.0 -123.0 20.0 2
  !!    L62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c )  1.0 -102.0 28.5 2
  !!    I63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )  1.0 -103.0 28.5 2
  !!    Q85
assign (resid 84 and name c ) (resid 85 and name n ) 
       (resid 85 and name ca) (resid 85 and name c )  1.0  -102.0 21.0 2
  !!    R86
 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c )  1.0 -103.0 30.0 2
  !!    H87
 assign (resid 86 and name c ) (resid 87 and name n ) 
        (resid 87 and name ca) (resid 87 and name c )  1.0 -122.0 30.0 2
  !!    M88
 assign (resid 87 and name c ) (resid 88 and name n ) 
        (resid 88 and name ca) (resid 88 and name c )  1.0  -99.0 24.0 2
  !!    F89
 assign (resid 88 and name c ) (resid 89 and name n ) 
        (resid 89 and name ca) (resid 89 and name c )  1.0 -127.0 30.0 2
  !!    S90
 assign (resid 89 and name c ) (resid 90 and name n ) 
        (resid 90 and name ca) (resid 90 and name c )  1.0 -117.0 31.5 2
  !!    F91
 assign (resid 90 and name c ) (resid 91 and name n ) 
        (resid 91 and name ca) (resid 91 and name c )  1.0 -123.0 25.5 2
  !!    T95
 assign (resid 94 and name c ) (resid 95 and name n ) 
        (resid 95 and name ca) (resid 95 and name c )  1.0  -66.0 20.0 2
  !!    V96
 assign (resid 95 and name c ) (resid 96 and name n ) 
        (resid 96 and name ca) (resid 96 and name c )  1.0  -68.0 20.0 2
  !!    M97
 assign (resid 96 and name c ) (resid 97 and name n ) 
        (resid 97 and name ca) (resid 97 and name c )  1.0  -65.0 20.0 2
  !!    D98
 assign (resid 97 and name c ) (resid 98 and name n ) 
        (resid 98 and name ca) (resid 98 and name c )  1.0  -68.0 20.0 2
  !!    N99
 assign (resid 98 and name c ) (resid 99 and name n ) 
        (resid 99 and name ca) (resid 99 and name c )  1.0  -66.0 20.0 2
  !!    I100
 assign (resid 99 and name c ) (resid 100 and name n ) 
        (resid 100 and name ca) (resid 100 and name c )  1.0  -66.0 20.0 2
  !!    K101
 assign (resid 100 and name c ) (resid 101 and name n ) 
        (resid 101 and name ca) (resid 101 and name c )  1.0  -65.0 20.0 2
  !!    M102
 assign (resid 101 and name c ) (resid 102 and name n ) 
        (resid 102 and name ca) (resid 102 and name c )  1.0  -62.0 20.0 2
  !!    T103
 assign (resid 102 and name c ) (resid 103 and name n ) 
        (resid 103 and name ca) (resid 103 and name c )  1.0  -72.0 20.5 2
  !!    L104
 assign (resid 103 and name c ) (resid 104 and name n ) 
        (resid 104 and name ca) (resid 104 and name c )  1.0  -63.0 20.0 2
  !!    Q105
 assign (resid 104 and name c ) (resid 105 and name n ) 
        (resid 105 and name ca) (resid 105 and name c )  1.0  -62.0 20.0 2
  !!    Q106
 assign (resid 105 and name c ) (resid 106 and name n ) 
        (resid 106 and name ca) (resid 106 and name c )  1.0  -63.0 20.0 2
  !!    I107
 assign (resid 106 and name c ) (resid 107 and name n ) 
        (resid 107 and name ca) (resid 107 and name c )  1.0  -66.0 20.0 2
  !!    I108
 assign (resid 107 and name c ) (resid 108 and name n ) 
        (resid 108 and name ca) (resid 108 and name c )  1.0  -63.0 20.0 2
  !!    S109
 assign (resid 108 and name c ) (resid 109 and name n ) 
        (resid 109 and name ca) (resid 109 and name c )  1.0  -65.0 20.0 2

!remark psi angles constraints

  !!    S4 
 assign (resid  4 and name n ) (resid  4 and name ca) 
       (resid  4 and name c ) (resid  5 and name n )  1.0  130.0 50.0 2  !not TALOS
  !!    G5 
 assign (resid  5 and name n ) (resid  5 and name ca) 
       (resid  5 and name c ) (resid  6 and name n )  1.0  130.0 50.0 2  !not TALOS
  !!    A6 
 assign (resid  6 and name n ) (resid  6 and name ca) 
        (resid  6 and name c ) (resid  7 and name n )  1.0  130.0 50.0 2  !not TALOS
  !!    A7
 assign (resid  7 and name n ) (resid  7 and name ca) 
        (resid  7 and name c ) (resid  8 and name n )  1.0  139.0 22.5 2
  !!    I8
 assign (resid  8 and name n ) (resid  8 and name ca) 
        (resid  8 and name c ) (resid  9 and name n )  1.0  123.0 20.0 2
  !!    F9
 assign (resid  9 and name n ) (resid  9 and name ca) 
        (resid  9 and name c ) (resid 10 and name n )  1.0  129.0 22.5 2
  !!    V12
 assign (resid 12 and name n ) (resid 12 and name ca)
       (resid 12 and name c ) (resid 13 and name n )  1.0   130.0 50.0 2   !not TALOS
  !!    S13
 assign (resid 13 and name n ) (resid 13 and name ca)
        (resid 13 and name c ) (resid 14 and name n )  1.0  130.0 50.0 2  !not TALOS
  !!    G14
 assign (resid 14 and name n ) (resid 14 and name ca) 
        (resid 14 and name c ) (resid 15 and name n )  1.0  130.0 50.0 2  !not TALOS
  !!    I15
 assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name c ) (resid 16 and name n )  1.0  139.0 22.5 2
  !!    I16
 assign (resid 16 and name n ) (resid 16 and name ca)
        (resid 16 and name c ) (resid 17 and name n )  1.0  133.0 20.0 2
  !!    A17
 assign (resid 17 and name n ) (resid 17 and name ca) 
        (resid 17 and name c ) (resid 18 and name n )  1.0  128.0 25.5 2
  !!    I18
 assign (resid 18 and name n ) (resid 18 and name ca) 
        (resid 18 and name c ) (resid 19 and name n )  1.0  124.0 20.0 2
  !!    N19
 assign (resid 19 and name n ) (resid 19 and name ca) 
        (resid 19 and name c ) (resid 20 and name n )  1.0  137.0 27.0 2
  !!    A25
 assign (resid 25 and name n ) (resid 25 and name ca)
        (resid 25 and name c ) (resid 26 and name n )  1.0  142.0 30.0 2
  !!    E26
 assign (resid 26 and name n ) (resid 26 and name ca) 
        (resid 26 and name c ) (resid 27 and name n )  1.0  141.0 20.0 2
  !!    L27
 assign (resid 27 and name n ) (resid 27 and name ca) 
        (resid 27 and name c ) (resid 28 and name n )  1.0  117.0 28.5 2
  !!    T28
 assign (resid 28 and name n ) (resid 28 and name ca) 
        (resid 28 and name c ) (resid 29 and name n )  1.0  127.0 20.0 2
  !!    W29
 assign (resid 29 and name n ) (resid 29 and name ca) 
        (resid 29 and name c ) (resid 30 and name n )  1.0  134.0 24.0 2
  !!    R30
 assign (resid 30 and name n ) (resid 30 and name ca)
        (resid 30 and name c ) (resid 31 and name n )  1.0  135.0 37.5 2
  !!    S31
 assign (resid 31 and name n ) (resid 31 and name ca)
        (resid 31 and name c ) (resid 32 and name n )  1.0  145.0 28.5 2
  !!    K36
 assign (resid 36 and name n ) (resid 36 and name ca) 
        (resid 36 and name c ) (resid 37 and name n )  1.0  146.0 22.5 2
  !!    V37
 assign (resid 37 and name n ) (resid 37 and name ca) 
        (resid 37 and name c ) (resid 38 and name n )  1.0  132.0 24.0 2
  !!    H38
 assign (resid 38 and name n ) (resid 38 and name ca) 
        (resid 38 and name c ) (resid 39 and name n )  1.0  121.0 20.0 2
  !!    T39
 assign (resid 39 and name n ) (resid 39 and name ca) 
        (resid 39 and name c ) (resid 40 and name n )  1.0  125.0 20.0 2
  !!    V40
 assign (resid 40 and name n ) (resid 40 and name ca) 
        (resid 40 and name c ) (resid 41 and name n )  1.0  133.0 28.5 2
  !!    V41
 assign (resid 41 and name n ) (resid 41 and name ca) 
        (resid 41 and name c ) (resid 42 and name n )  1.0  130.0 22.5 2
  !!    L42
 assign (resid 42 and name n ) (resid 42 and name ca) 
        (resid 42 and name c ) (resid 43 and name n )  1.0  -32.0 20.0 2
  !!    K47
 assign (resid 47 and name n ) (resid 47 and name ca) 
        (resid 47 and name c ) (resid 48 and name n )  1.0  151.0 20.0 2
  !!    L48
 assign (resid 48 and name n ) (resid 48 and name ca) 
        (resid 48 and name c ) (resid 49 and name n )  1.0  124.0 22.5 2
  !!    Q49
 assign (resid 49 and name n ) (resid 49 and name ca)
        (resid 49 and name c ) (resid 50 and name n )  1.0  138.0 28.5 2
  !!    A50
 assign (resid 50 and name n ) (resid 50 and name ca)
        (resid 50 and name c ) (resid 51 and name n )  1.0  136.0 28.5 2
  !!    T51
assign (resid 51 and name n ) (resid 51 and name ca)
       (resid 51 and name c ) (resid 52 and name n )  1.0   129.0 30.0 2
  !!    A53
 assign (resid 53 and name n ) (resid 53 and name ca) 
        (resid 53 and name c ) (resid 54 and name n )  1.0   -25.0 22.5 2
  !!    S54
 assign (resid 54 and name n ) (resid 54 and name ca) 
        (resid 54 and name c ) (resid 55 and name n )  1.0     6.0 24.0 2
  !!    S55
 assign (resid 55 and name n ) (resid 55 and name ca) 
        (resid 55 and name c ) (resid 56 and name n )  1.0   128.0 37.5 2
  !!    M58 
 assign (resid 58 and name n ) (resid 58 and name ca) 
        (resid 58 and name c ) (resid 59 and name n )  1.0   131.0 28.5 2
  !!    M59
 assign (resid 59 and name n ) (resid 59 and name ca) 
        (resid 59 and name c ) (resid 60 and name n )  1.0   149.0 21.0 2
  !!    L60
 assign (resid 60 and name n ) (resid 60 and name ca) 
        (resid 60 and name c ) (resid 61 and name n )  1.0   142.0 31.5 2
  !!    R61
 assign (resid 61 and name n ) (resid 61 and name ca) 
        (resid 61 and name c ) (resid 62 and name n )  1.0   131.0 30.0 2
  !!    L62
 assign (resid 62 and name n ) (resid 62 and name ca) 
        (resid 62 and name c ) (resid 63 and name n )  1.0   133.0 24.0 2
  !!    I63
 assign (resid 63 and name n ) (resid 63 and name ca) 
        (resid 63 and name c ) (resid 64 and name n )  1.0   133.0 20.0 2
  !!    Q85
 assign (resid 85 and name n ) (resid 85 and name ca)
       (resid 85 and name c ) (resid 86 and name n )  1.0    125.0 42.0 2
  !!    R86
 assign (resid 86 and name n ) (resid 86 and name ca) 
        (resid 86 and name c ) (resid 87 and name n )  1.0   138.0 22.5 2
  !!    H87
 assign (resid 87 and name n ) (resid 87 and name ca) 
        (resid 87 and name c ) (resid 88 and name n )  1.0   132.0 22.5 2
  !!    M88
 assign (resid 88 and name n ) (resid 88 and name ca) 
        (resid 88 and name c ) (resid 89 and name n )  1.0   131.0 20.0 2
  !!    F89
 assign (resid 89 and name n ) (resid 89 and name ca) 
        (resid 89 and name c ) (resid 90 and name n )  1.0   142.0 25.5 2
  !!    S90
 assign (resid 90 and name n ) (resid 90 and name ca) 
        (resid 90 and name c ) (resid 91 and name n )  1.0   132.0 20.0 2
  !!    F91
 assign (resid 91 and name n ) (resid 91 and name ca)
        (resid 91 and name c ) (resid 92 and name n )  1.0   147.0 20.0 2
  !!    T95
 assign (resid 95 and name n ) (resid 95 and name ca) 
        (resid 95 and name c ) (resid 96 and name n )  1.0   -40.0 20.0 2
  !!    V96
 assign (resid 96 and name n ) (resid 96 and name ca)
        (resid 96 and name c ) (resid 97 and name n )  1.0   -41.0 22.5 2
  !!    M97
 assign (resid 97 and name n ) (resid 97 and name ca) 
        (resid 97 and name c ) (resid 98 and name n )  1.0   -36.0 20.0 2
  !!    D98 
 assign (resid 98 and name n ) (resid 98 and name ca) 
        (resid 98 and name c ) (resid 99 and name n )  1.0   -39.0 20.0 2
  !!    N99
 assign (resid 99 and name n ) (resid 99 and name ca) 
        (resid 99 and name c ) (resid 100 and name n )  1.0  -44.0 20.0 2
  !!    I100
 assign (resid 100 and name n ) (resid 100 and name ca) 
        (resid 100 and name c ) (resid 101 and name n )  1.0 -42.0 20.0 2
  !!    K101
 assign (resid 101 and name n ) (resid 101 and name ca)
        (resid 101 and name c ) (resid 102 and name n )  1.0 -42.0 20.0 2
  !!    M102
 assign (resid 102 and name n ) (resid 102 and name ca) 
        (resid 102 and name c ) (resid 103 and name n )  1.0 -40.0 20.0 2
  !!    T103
 assign (resid 103 and name n ) (resid 103 and name ca) 
        (resid 103 and name c ) (resid 104 and name n )  1.0 -39.0 20.0 2
  !!    L104
 assign (resid 104 and name n ) (resid 104 and name ca) 
        (resid 104 and name c ) (resid 105 and name n )  1.0 -42.0 20.0 2
  !!    Q105
 assign (resid 105 and name n ) (resid 105 and name ca) 
        (resid 105 and name c ) (resid 106 and name n )  1.0 -40.0 20.0 2
  !!    Q106
 assign (resid 106 and name n ) (resid 106 and name ca)
        (resid 106 and name c ) (resid 107 and name n )  1.0 -44.0 20.0 2
  !!    I107
 assign (resid 107 and name n ) (resid 107 and name ca) 
        (resid 107 and name c ) (resid 108 and name n )  1.0 -43.0 20.0 2
  !!    I108 
 assign (resid 108 and name n ) (resid 108 and name ca) 
        (resid 108 and name c ) (resid 109 and name n )  1.0 -42.0 20.0 2
  !!    S109
 assign (resid 109 and name n ) (resid 109 and name ca) 
        (resid 109 and name c ) (resid 110 and name n )  1.0  -43.0 20.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HT1  PRO   1           HT2      PRO   1 -12.620  11.275   7.360
    2    HT2  PRO   1           HT1      PRO   1 -13.350  10.085   6.379
    3    HA   PRO   1           HA       PRO   1 -10.907  10.046   7.647
    4   1HB   PRO   1          2HB       PRO   1 -12.286   7.592   8.489
    5   2HB   PRO   1          1HB       PRO   1 -11.144   8.606   9.378
    6   1HG   PRO   1          2HG       PRO   1 -13.802   8.570   9.927
    7   2HG   PRO   1          1HG       PRO   1 -12.788  10.001  10.169
    8   1HD   PRO   1          2HD       PRO   1 -14.753   9.410   7.996
    9   2HD   PRO   1          1HD       PRO   1 -14.349  10.959   8.761
   10    H    SER   2           H        SER   2 -11.838  10.043   5.044
   11    HA   SER   2           HA       SER   2 -11.965   7.381   3.983
   12   1HB   SER   2          2HB       SER   2 -11.446   9.956   2.484
   13   2HB   SER   2          1HB       SER   2 -12.038   8.436   1.814
   14    HG   SER   2           HG       SER   2 -13.397  10.428   3.105
   15    H    HIS   3           H        HIS   3  -9.471   9.801   4.444
   16    HA   HIS   3           HA       HIS   3  -7.512   8.415   2.870
   17   1HB   HIS   3          2HB       HIS   3  -7.428  10.786   4.712
   18   2HB   HIS   3          1HB       HIS   3  -5.944  10.076   4.087
   19    HD1  HIS   3           HD1      HIS   3  -8.981  11.989   3.008
   20    HD2  HIS   3           HD2      HIS   3  -5.413  10.592   1.402
   21    HE1  HIS   3           HE1      HIS   3  -8.771  13.107   0.766
   22    HE2  HIS   3           HE2      HIS   3  -6.562  12.313  -0.150
   23    H    SER   4           H        SER   4  -8.615   8.258   6.121
   24    HA   SER   4           HA       SER   4  -6.392   6.436   6.773
   25   1HB   SER   4          2HB       SER   4  -6.664   7.107   9.140
   26   2HB   SER   4          1HB       SER   4  -6.219   8.470   8.113
   27    HG   SER   4           HG       SER   4  -8.246   9.264   8.268
   28    H    GLY   5           H        GLY   5  -6.930   4.427   7.282
   29   1HA   GLY   5          2HA       GLY   5  -9.479   3.812   8.518
   30   2HA   GLY   5          1HA       GLY   5  -9.285   3.199   6.881
   31    H    ALA   6           H        ALA   6  -9.634   1.601   9.233
   32    HA   ALA   6           HA       ALA   6  -7.139   0.584  10.110
   33   1HB   ALA   6          1HB       ALA   6  -9.873  -0.667  10.232
   34   2HB   ALA   6          2HB       ALA   6  -9.112   0.323  11.479
   35   3HB   ALA   6          3HB       ALA   6  -8.437  -1.257  11.071
   36    H    ALA   7           H        ALA   7  -5.946  -1.111   9.431
   37    HA   ALA   7           HA       ALA   7  -6.912  -2.927   7.420
   38   1HB   ALA   7          1HB       ALA   7  -5.215  -2.392   5.747
   39   2HB   ALA   7          2HB       ALA   7  -4.663  -1.043   6.740
   40   3HB   ALA   7          3HB       ALA   7  -6.284  -1.019   6.041
   41    H    ILE   8           H        ILE   8  -5.670  -4.799   7.199
   42    HA   ILE   8           HA       ILE   8  -3.691  -5.196   9.318
   43    HB   ILE   8           HB       ILE   8  -4.905  -7.255   7.483
   44   1HG1  ILE   8          2HG1      ILE   8  -5.728  -6.738  10.329
   45   2HG1  ILE   8          1HG1      ILE   8  -6.543  -5.980   8.960
   46   1HG2  ILE   8          1HG2      ILE   8  -3.893  -8.879   8.713
   47   2HG2  ILE   8          2HG2      ILE   8  -3.857  -7.904  10.180
   48   3HG2  ILE   8          3HG2      ILE   8  -2.693  -7.602   8.891
   49   1HD1  ILE   8          1HD1      ILE   8  -6.157  -8.921   8.971
   50   2HD1  ILE   8          2HD1      ILE   8  -7.423  -7.945   8.221
   51   3HD1  ILE   8          3HD1      ILE   8  -7.430  -8.208   9.966
   52    H    PHE   9           H        PHE   9  -1.638  -5.885   8.956
   53    HA   PHE   9           HA       PHE   9  -0.751  -6.390   6.230
   54   1HB   PHE   9          2HB       PHE   9  -0.421  -3.981   6.497
   55   2HB   PHE   9          1HB       PHE   9   0.492  -4.256   7.974
   56    HD1  PHE   9           HD1      PHE   9   2.739  -3.936   7.733
   57    HD2  PHE   9           HD2      PHE   9   0.550  -5.626   4.503
   58    HE1  PHE   9           HE1      PHE   9   4.815  -4.106   6.423
   59    HE2  PHE   9           HE2      PHE   9   2.619  -5.800   3.184
   60    HZ   PHE   9           HZ       PHE   9   4.757  -5.039   4.145
   61    H    GLU  10           H        GLU  10   0.011  -8.372   6.498
   62    HA   GLU  10           HA       GLU  10   1.481 -10.012   7.067
   63   1HB   GLU  10          2HB       GLU  10   2.634  -8.119   9.112
   64   2HB   GLU  10          1HB       GLU  10   3.374  -9.584   8.488
   65   1HG   GLU  10          2HG       GLU  10   3.464  -8.537   6.251
   66   2HG   GLU  10          1HG       GLU  10   2.832  -7.050   6.959
   67    H    LYS  11           H        LYS  11  -1.014 -10.174   8.016
   68    HA   LYS  11           HA       LYS  11  -2.309 -11.229   9.515
   69   1HB   LYS  11          2HB       LYS  11   0.422 -12.161  10.185
   70   2HB   LYS  11          1HB       LYS  11  -0.899 -12.598  11.263
   71   1HG   LYS  11          2HG       LYS  11  -1.990 -13.827   9.604
   72   2HG   LYS  11          1HG       LYS  11  -1.068 -13.055   8.310
   73   1HD   LYS  11          2HD       LYS  11   0.137 -14.871  10.398
   74   2HD   LYS  11          1HD       LYS  11  -0.391 -15.414   8.804
   75   1HE   LYS  11          2HE       LYS  11   1.171 -13.310   8.129
   76   2HE   LYS  11          1HE       LYS  11   1.986 -13.865   9.591
   77   1HZ   LYS  11          1HZ       LYS  11   2.659 -15.755   8.605
   78   2HZ   LYS  11          2HZ       LYS  11   2.460 -14.866   7.179
   79   3HZ   LYS  11          3HZ       LYS  11   1.248 -15.930   7.687
   80    H    VAL  12           H        VAL  12  -0.900  -8.495  10.217
   81    HA   VAL  12           HA       VAL  12  -1.858  -8.498  12.973
   82    HB   VAL  12           HB       VAL  12   0.452  -6.893  11.876
   83   1HG1  VAL  12          1HG1      VAL  12  -0.931  -5.635  13.497
   84   2HG1  VAL  12          2HG1      VAL  12   0.698  -5.962  14.089
   85   3HG1  VAL  12          3HG1      VAL  12  -0.661  -6.919  14.678
   86   1HG2  VAL  12          1HG2      VAL  12   1.182  -9.114  12.278
   87   2HG2  VAL  12          2HG2      VAL  12   0.318  -9.190  13.814
   88   3HG2  VAL  12          3HG2      VAL  12   1.728  -8.144  13.646
   89    H    SER  13           H        SER  13  -3.272  -6.866  13.495
   90    HA   SER  13           HA       SER  13  -4.122  -5.213  11.228
   91   1HB   SER  13          2HB       SER  13  -5.799  -6.711  12.323
   92   2HB   SER  13          1HB       SER  13  -5.618  -5.765  13.801
   93    HG   SER  13           HG       SER  13  -6.255  -3.918  12.509
   94    H    GLY  14           H        GLY  14  -4.403  -3.059  11.342
   95   1HA   GLY  14          2HA       GLY  14  -3.998  -1.548  13.745
   96   2HA   GLY  14          1HA       GLY  14  -2.616  -1.476  12.654
   97    H    ILE  15           H        ILE  15  -3.582   0.894  13.003
   98    HA   ILE  15           HA       ILE  15  -5.714   1.413  11.091
   99    HB   ILE  15           HB       ILE  15  -4.270   3.231  13.010
  100   1HG1  ILE  15          2HG1      ILE  15  -6.470   1.448  13.247
  101   2HG1  ILE  15          1HG1      ILE  15  -5.838   2.555  14.461
  102   1HG2  ILE  15          1HG2      ILE  15  -4.816   4.525  11.046
  103   2HG2  ILE  15          2HG2      ILE  15  -5.921   4.954  12.351
  104   3HG2  ILE  15          3HG2      ILE  15  -6.464   3.896  11.048
  105   1HD1  ILE  15          1HD1      ILE  15  -8.023   3.082  12.464
  106   2HD1  ILE  15          2HD1      ILE  15  -7.314   4.321  13.500
  107   3HD1  ILE  15          3HD1      ILE  15  -8.170   2.957  14.217
  108    H    ILE  16           H        ILE  16  -5.423   2.098   9.109
  109    HA   ILE  16           HA       ILE  16  -2.706   2.713   8.215
  110    HB   ILE  16           HB       ILE  16  -4.981   1.281   7.094
  111   1HG1  ILE  16          2HG1      ILE  16  -2.029   1.474   6.510
  112   2HG1  ILE  16          1HG1      ILE  16  -2.893   0.195   7.352
  113   1HG2  ILE  16          1HG2      ILE  16  -4.547   2.007   4.721
  114   2HG2  ILE  16          2HG2      ILE  16  -3.682   3.397   5.380
  115   3HG2  ILE  16          3HG2      ILE  16  -5.398   3.183   5.722
  116   1HD1  ILE  16          1HD1      ILE  16  -4.032   0.342   4.798
  117   2HD1  ILE  16          2HD1      ILE  16  -2.987  -0.921   5.451
  118   3HD1  ILE  16          3HD1      ILE  16  -2.285   0.438   4.573
  119    H    ALA  17           H        ALA  17  -2.173   4.744   7.815
  120    HA   ALA  17           HA       ALA  17  -4.305   6.670   7.155
  121   1HB   ALA  17          1HB       ALA  17  -3.405   7.152   9.343
  122   2HB   ALA  17          2HB       ALA  17  -2.889   8.401   8.211
  123   3HB   ALA  17          3HB       ALA  17  -1.761   7.139   8.707
  124    H    ILE  18           H        ILE  18  -3.940   8.119   5.493
  125    HA   ILE  18           HA       ILE  18  -1.689   7.441   3.744
  126    HB   ILE  18           HB       ILE  18  -4.462   8.317   3.302
  127   1HG1  ILE  18          2HG1      ILE  18  -2.544   6.963   1.410
  128   2HG1  ILE  18          1HG1      ILE  18  -3.375   6.099   2.700
  129   1HG2  ILE  18          1HG2      ILE  18  -3.569  10.337   2.500
  130   2HG2  ILE  18          2HG2      ILE  18  -3.850   9.344   1.069
  131   3HG2  ILE  18          3HG2      ILE  18  -2.218   9.523   1.713
  132   1HD1  ILE  18          1HD1      ILE  18  -4.742   5.706   0.903
  133   2HD1  ILE  18          2HD1      ILE  18  -4.481   7.310   0.216
  134   3HD1  ILE  18          3HD1      ILE  18  -5.512   7.115   1.633
  135    H    ASN  19           H        ASN  19   0.028   8.715   3.873
  136    HA   ASN  19           HA       ASN  19  -0.306  11.498   4.729
  137   1HB   ASN  19          2HB       ASN  19   1.312  10.095   5.971
  138   2HB   ASN  19          1HB       ASN  19   2.222   9.853   4.483
  139   1HD2  ASN  19          1HD2      ASN  19   1.009  12.377   6.638
  140   2HD2  ASN  19          2HD2      ASN  19   2.324  13.468   6.391
  141    H    GLU  20           H        GLU  20  -0.608  12.864   3.106
  142    HA   GLU  20           HA       GLU  20   0.961  12.491   0.646
  143   1HB   GLU  20          2HB       GLU  20  -0.866  14.104  -0.284
  144   2HB   GLU  20          1HB       GLU  20  -1.231  12.397  -0.081
  145   1HG   GLU  20          2HG       GLU  20  -3.081  13.694   0.701
  146   2HG   GLU  20          1HG       GLU  20  -2.303  12.918   2.079
  147    H    ASP  21           H        ASP  21   0.763  14.329   3.409
  148    HA   ASP  21           HA       ASP  21   1.198  16.939   2.508
  149   1HB   ASP  21          2HB       ASP  21   0.658  16.288   4.857
  150   2HB   ASP  21          1HB       ASP  21   2.304  15.683   5.023
  151    H    VAL  22           H        VAL  22   3.249  14.195   2.438
  152    HA   VAL  22           HA       VAL  22   5.623  15.838   2.129
  153    HB   VAL  22           HB       VAL  22   5.451  13.634   3.533
  154   1HG1  VAL  22          1HG1      VAL  22   6.531  12.289   1.140
  155   2HG1  VAL  22          2HG1      VAL  22   4.781  12.479   1.238
  156   3HG1  VAL  22          3HG1      VAL  22   5.648  11.628   2.515
  157   1HG2  VAL  22          1HG2      VAL  22   7.949  13.427   2.117
  158   2HG2  VAL  22          2HG2      VAL  22   7.632  13.956   3.769
  159   3HG2  VAL  22          3HG2      VAL  22   7.533  15.110   2.440
  160    H    SER  23           H        SER  23   7.071  14.094   0.459
  161    HA   SER  23           HA       SER  23   5.657  13.597  -1.962
  162   1HB   SER  23          2HB       SER  23   6.412  15.336  -3.340
  163   2HB   SER  23          1HB       SER  23   5.961  16.162  -1.849
  164    HG   SER  23           HG       SER  23   7.930  16.936  -2.147
  165    HA   PRO  24           HA       PRO  24   5.683  12.177  -3.306
  166   1HB   PRO  24          2HB       PRO  24   5.868   9.487  -3.403
  167   2HB   PRO  24          1HB       PRO  24   6.626  10.530  -4.613
  168   1HG   PRO  24          2HG       PRO  24   7.853   9.188  -2.233
  169   2HG   PRO  24          1HG       PRO  24   8.478   9.324  -3.887
  170   1HD   PRO  24          2HD       PRO  24   9.308  10.929  -1.857
  171   2HD   PRO  24          1HD       PRO  24   9.263  11.459  -3.550
  172    H    ALA  25           H        ALA  25   3.759  11.408  -2.429
  173    HA   ALA  25           HA       ALA  25   3.438  11.453   0.331
  174   1HB   ALA  25          1HB       ALA  25   1.573  11.829  -1.144
  175   2HB   ALA  25          2HB       ALA  25   1.201  10.458  -0.099
  176   3HB   ALA  25          3HB       ALA  25   1.685  10.185  -1.774
  177    H    GLU  26           H        GLU  26   2.392   9.542   1.589
  178    HA   GLU  26           HA       GLU  26   3.404   6.928   0.887
  179   1HB   GLU  26          2HB       GLU  26   4.448   8.367   3.330
  180   2HB   GLU  26          1HB       GLU  26   4.701   6.663   2.982
  181   1HG   GLU  26          2HG       GLU  26   5.876   7.307   0.903
  182   2HG   GLU  26          1HG       GLU  26   5.703   8.998   1.369
  183    H    LEU  27           H        LEU  27   2.508   5.244   2.097
  184    HA   LEU  27           HA       LEU  27   0.113   6.001   3.612
  185   1HB   LEU  27          2HB       LEU  27  -0.387   4.560   1.783
  186   2HB   LEU  27          1HB       LEU  27   0.926   3.473   2.189
  187    HG   LEU  27           HG       LEU  27  -0.445   3.131   4.409
  188   1HD1  LEU  27          1HD1      LEU  27  -2.210   4.575   4.302
  189   2HD1  LEU  27          2HD1      LEU  27  -2.935   3.129   3.594
  190   3HD1  LEU  27          3HD1      LEU  27  -2.366   4.432   2.551
  191   1HD2  LEU  27          1HD2      LEU  27  -1.908   1.469   2.907
  192   2HD2  LEU  27          2HD2      LEU  27  -0.207   1.191   3.280
  193   3HD2  LEU  27          3HD2      LEU  27  -0.665   1.905   1.733
  194    H    THR  28           H        THR  28   0.260   5.951   5.768
  195    HA   THR  28           HA       THR  28   2.353   4.431   7.038
  196    HB   THR  28           HB       THR  28   0.553   5.967   8.717
  197    HG1  THR  28           HG1      THR  28   1.145   7.984   7.852
  198   1HG2  THR  28          1HG2      THR  28   3.456   6.318   8.095
  199   2HG2  THR  28          2HG2      THR  28   2.807   5.313   9.390
  200   3HG2  THR  28          3HG2      THR  28   2.578   7.061   9.429
  201    H    TRP  29           H        TRP  29   1.993   2.881   8.602
  202    HA   TRP  29           HA       TRP  29  -0.756   1.998   9.065
  203   1HB   TRP  29          2HB       TRP  29   0.189   0.539   7.336
  204   2HB   TRP  29          1HB       TRP  29   1.577   0.200   8.369
  205    HD1  TRP  29           HD1      TRP  29  -2.230   0.057   9.038
  206    HE1  TRP  29           HE1      TRP  29  -2.776  -2.236  10.096
  207    HE3  TRP  29           HE3      TRP  29   2.461  -1.966   9.040
  208    HZ2  TRP  29           HZ2      TRP  29  -1.390  -4.561  10.829
  209    HZ3  TRP  29           HZ3      TRP  29   2.763  -4.238   9.945
  210    HH2  TRP  29           HH2      TRP  29   0.864  -5.515  10.818
  211    H    ARG  30           H        ARG  30  -1.057   2.238  11.187
  212    HA   ARG  30           HA       ARG  30   1.186   1.621  12.991
  213   1HB   ARG  30          2HB       ARG  30  -1.287   3.315  13.367
  214   2HB   ARG  30          1HB       ARG  30  -0.248   2.843  14.706
  215   1HG   ARG  30          2HG       ARG  30   1.636   3.982  13.654
  216   2HG   ARG  30          1HG       ARG  30   0.598   4.452  12.305
  217   1HD   ARG  30          2HD       ARG  30   0.721   6.324  13.754
  218   2HD   ARG  30          1HD       ARG  30  -0.874   5.610  13.983
  219    HE   ARG  30           HE       ARG  30   0.602   4.440  15.920
  220   1HH1  ARG  30          1HH1      ARG  30   0.104   7.767  14.993
  221   2HH1  ARG  30          2HH1      ARG  30   0.324   8.377  16.598
  222   1HH2  ARG  30          1HH2      ARG  30   0.892   5.241  18.032
  223   2HH2  ARG  30          2HH2      ARG  30   0.773   6.945  18.323
  224    H    SER  31           H        SER  31   1.071  -0.156  14.259
  225    HA   SER  31           HA       SER  31  -0.960  -2.050  13.916
  226   1HB   SER  31          2HB       SER  31   1.080  -2.954  14.597
  227   2HB   SER  31          1HB       SER  31   1.300  -1.754  15.871
  228    HG   SER  31           HG       SER  31   0.711  -3.742  16.765
  229    H    THR  32           H        THR  32  -2.337  -2.958  15.628
  230    HA   THR  32           HA       THR  32  -4.095  -1.064  16.673
  231    HB   THR  32           HB       THR  32  -3.658  -3.982  16.839
  232    HG1  THR  32           HG1      THR  32  -5.850  -2.286  16.277
  233   1HG2  THR  32          1HG2      THR  32  -4.044  -3.649  19.142
  234   2HG2  THR  32          2HG2      THR  32  -5.528  -4.269  18.422
  235   3HG2  THR  32          3HG2      THR  32  -5.389  -2.556  18.822
  236    H    ASP  33           H        ASP  33  -1.322  -2.682  17.964
  237    HA   ASP  33           HA       ASP  33  -1.735  -1.946  20.681
  238   1HB   ASP  33          2HB       ASP  33   0.740  -2.899  19.239
  239   2HB   ASP  33          1HB       ASP  33   0.636  -2.673  20.983
  240    H    GLY  34           H        GLY  34  -0.101  -0.527  17.966
  241   1HA   GLY  34          2HA       GLY  34   0.481   1.705  17.672
  242   2HA   GLY  34          1HA       GLY  34   0.097   1.999  19.363
  243    H    ASP  35           H        ASP  35   2.185  -0.614  18.478
  244    HA   ASP  35           HA       ASP  35   4.449   0.868  19.618
  245   1HB   ASP  35          2HB       ASP  35   3.878  -2.097  19.567
  246   2HB   ASP  35          1HB       ASP  35   5.396  -1.400  20.125
  247    H    LYS  36           H        LYS  36   3.275  -0.704  16.812
  248    HA   LYS  36           HA       LYS  36   5.914  -0.389  15.548
  249   1HB   LYS  36          2HB       LYS  36   4.206  -2.746  15.698
  250   2HB   LYS  36          1HB       LYS  36   4.596  -2.313  14.039
  251   1HG   LYS  36          2HG       LYS  36   6.273  -3.802  14.669
  252   2HG   LYS  36          1HG       LYS  36   7.022  -2.211  14.814
  253   1HD   LYS  36          2HD       LYS  36   6.653  -2.224  17.211
  254   2HD   LYS  36          1HD       LYS  36   5.809  -3.770  17.095
  255   1HE   LYS  36          2HE       LYS  36   7.826  -4.630  17.600
  256   2HE   LYS  36          1HE       LYS  36   8.144  -4.385  15.883
  257   1HZ   LYS  36          1HZ       LYS  36   8.842  -2.492  18.064
  258   2HZ   LYS  36          2HZ       LYS  36   9.134  -2.240  16.416
  259   3HZ   LYS  36          3HZ       LYS  36   9.927  -3.491  17.233
  260    H    VAL  37           H        VAL  37   5.927   0.942  13.867
  261    HA   VAL  37           HA       VAL  37   3.377   1.488  12.494
  262    HB   VAL  37           HB       VAL  37   5.573   3.509  12.950
  263   1HG1  VAL  37          1HG1      VAL  37   2.797   3.697  11.796
  264   2HG1  VAL  37          2HG1      VAL  37   4.330   4.037  10.991
  265   3HG1  VAL  37          3HG1      VAL  37   3.753   5.101  12.273
  266   1HG2  VAL  37          1HG2      VAL  37   3.530   4.467  14.391
  267   2HG2  VAL  37          2HG2      VAL  37   4.789   3.440  15.075
  268   3HG2  VAL  37          3HG2      VAL  37   3.241   2.740  14.598
  269    H    HIS  38           H        HIS  38   3.402   1.010  10.415
  270    HA   HIS  38           HA       HIS  38   6.000   0.827   9.041
  271   1HB   HIS  38          2HB       HIS  38   4.586  -1.257   9.203
  272   2HB   HIS  38          1HB       HIS  38   3.424  -0.453   8.158
  273    HD1  HIS  38           HD1      HIS  38   6.045  -2.791   7.941
  274    HD2  HIS  38           HD2      HIS  38   4.916   0.490   5.655
  275    HE1  HIS  38           HE1      HIS  38   7.115  -3.138   5.690
  276    HE2  HIS  38           HE2      HIS  38   6.351  -1.181   4.300
  277    H    THR  39           H        THR  39   6.319   1.806   7.117
  278    HA   THR  39           HA       THR  39   4.186   3.608   6.166
  279    HB   THR  39           HB       THR  39   7.157   4.180   6.128
  280    HG1  THR  39           HG1      THR  39   6.900   4.928   8.052
  281   1HG2  THR  39          1HG2      THR  39   5.857   5.321   4.363
  282   2HG2  THR  39          2HG2      THR  39   6.577   6.424   5.536
  283   3HG2  THR  39          3HG2      THR  39   4.856   6.047   5.620
  284    H    VAL  40           H        VAL  40   3.743   3.580   4.035
  285    HA   VAL  40           HA       VAL  40   5.478   1.926   2.315
  286    HB   VAL  40           HB       VAL  40   2.511   2.340   1.954
  287   1HG1  VAL  40          1HG1      VAL  40   3.157   1.672  -0.110
  288   2HG1  VAL  40          2HG1      VAL  40   3.076   0.079   0.642
  289   3HG1  VAL  40          3HG1      VAL  40   4.629   0.899   0.478
  290   1HG2  VAL  40          1HG2      VAL  40   3.788  -0.181   2.967
  291   2HG2  VAL  40          2HG2      VAL  40   2.085   0.281   2.983
  292   3HG2  VAL  40          3HG2      VAL  40   3.226   1.083   4.063
  293    H    VAL  41           H        VAL  41   5.884   2.606   0.218
  294    HA   VAL  41           HA       VAL  41   5.524   5.466  -0.226
  295    HB   VAL  41           HB       VAL  41   7.108   3.514  -1.899
  296   1HG1  VAL  41          1HG1      VAL  41   6.654   6.429  -1.950
  297   2HG1  VAL  41          2HG1      VAL  41   7.031   5.313  -3.263
  298   3HG1  VAL  41          3HG1      VAL  41   8.316   5.896  -2.204
  299   1HG2  VAL  41          1HG2      VAL  41   9.041   4.034  -0.660
  300   2HG2  VAL  41          2HG2      VAL  41   7.798   3.688   0.543
  301   3HG2  VAL  41          3HG2      VAL  41   8.241   5.357   0.187
  302    H    LEU  42           H        LEU  42   3.962   6.223  -1.483
  303    HA   LEU  42           HA       LEU  42   2.380   4.401  -3.082
  304   1HB   LEU  42          2HB       LEU  42   1.981   7.372  -2.893
  305   2HB   LEU  42          1HB       LEU  42   0.792   6.133  -3.247
  306    HG   LEU  42           HG       LEU  42   2.063   6.733  -0.579
  307   1HD1  LEU  42          1HD1      LEU  42  -0.854   6.567  -0.921
  308   2HD1  LEU  42          2HD1      LEU  42  -0.066   7.918  -1.737
  309   3HD1  LEU  42          3HD1      LEU  42   0.121   7.709   0.004
  310   1HD2  LEU  42          1HD2      LEU  42   0.070   4.550  -1.144
  311   2HD2  LEU  42          2HD2      LEU  42   0.944   4.868   0.354
  312   3HD2  LEU  42          3HD2      LEU  42   1.808   4.266  -1.060
  313    H    SER  43           H        SER  43   5.072   6.372  -3.615
  314    HA   SER  43           HA       SER  43   4.455   7.096  -6.332
  315   1HB   SER  43          2HB       SER  43   5.903   8.621  -5.283
  316   2HB   SER  43          1HB       SER  43   6.898   7.340  -4.591
  317    HG   SER  43           HG       SER  43   7.910   7.080  -6.471
  318    H    THR  44           H        THR  44   5.928   4.437  -4.681
  319    HA   THR  44           HA       THR  44   7.081   3.385  -7.140
  320    HB   THR  44           HB       THR  44   8.388   3.257  -5.049
  321    HG1  THR  44           HG1      THR  44   7.573   0.796  -6.185
  322   1HG2  THR  44          1HG2      THR  44   6.325   2.812  -3.596
  323   2HG2  THR  44          2HG2      THR  44   7.821   1.962  -3.213
  324   3HG2  THR  44          3HG2      THR  44   6.529   1.128  -4.076
  325    H    ILE  45           H        ILE  45   4.091   3.568  -6.351
  326    HA   ILE  45           HA       ILE  45   3.379   0.735  -6.566
  327    HB   ILE  45           HB       ILE  45   1.527   3.080  -6.147
  328   1HG1  ILE  45          2HG1      ILE  45   3.077   2.973  -4.282
  329   2HG1  ILE  45          1HG1      ILE  45   1.503   2.375  -3.764
  330   1HG2  ILE  45          1HG2      ILE  45  -0.081   1.418  -5.449
  331   2HG2  ILE  45          2HG2      ILE  45   1.109   0.133  -5.664
  332   3HG2  ILE  45          3HG2      ILE  45   0.512   1.025  -7.063
  333   1HD1  ILE  45          1HD1      ILE  45   2.907   0.829  -2.833
  334   2HD1  ILE  45          2HD1      ILE  45   4.054   0.901  -4.170
  335   3HD1  ILE  45          3HD1      ILE  45   2.523   0.050  -4.368
  336    H    ASP  46           H        ASP  46   3.721   0.243  -8.694
  337    HA   ASP  46           HA       ASP  46   3.085   1.852 -10.891
  338   1HB   ASP  46          2HB       ASP  46   4.541  -0.182 -10.951
  339   2HB   ASP  46          1HB       ASP  46   3.091  -1.173 -10.813
  340    H    LYS  47           H        LYS  47   1.134  -0.301  -8.950
  341    HA   LYS  47           HA       LYS  47  -1.283   0.820 -10.006
  342   1HB   LYS  47          2HB       LYS  47  -0.477  -1.979 -10.752
  343   2HB   LYS  47          1HB       LYS  47  -2.172  -1.534 -10.621
  344   1HG   LYS  47          2HG       LYS  47  -1.590   0.368 -12.242
  345   2HG   LYS  47          1HG       LYS  47  -0.115  -0.549 -12.560
  346   1HD   LYS  47          2HD       LYS  47  -2.898  -1.684 -12.800
  347   2HD   LYS  47          1HD       LYS  47  -1.982  -1.018 -14.152
  348   1HE   LYS  47          2HE       LYS  47  -0.524  -2.772 -14.207
  349   2HE   LYS  47          1HE       LYS  47  -0.667  -3.085 -12.478
  350   1HZ   LYS  47          1HZ       LYS  47  -2.670  -4.224 -12.783
  351   2HZ   LYS  47          2HZ       LYS  47  -1.685  -4.774 -14.042
  352   3HZ   LYS  47          3HZ       LYS  47  -2.890  -3.630 -14.352
  353    H    LEU  48           H        LEU  48  -3.237  -0.361  -9.032
  354    HA   LEU  48           HA       LEU  48  -2.552  -1.420  -6.372
  355   1HB   LEU  48          2HB       LEU  48  -4.444  -0.192  -5.428
  356   2HB   LEU  48          1HB       LEU  48  -3.253   0.889  -6.124
  357    HG   LEU  48           HG       LEU  48  -4.930   0.610  -8.232
  358   1HD1  LEU  48          1HD1      LEU  48  -7.079   0.198  -7.696
  359   2HD1  LEU  48          2HD1      LEU  48  -6.940   0.952  -6.107
  360   3HD1  LEU  48          3HD1      LEU  48  -6.356  -0.694  -6.357
  361   1HD2  LEU  48          1HD2      LEU  48  -5.780   2.627  -6.257
  362   2HD2  LEU  48          2HD2      LEU  48  -5.283   2.818  -7.939
  363   3HD2  LEU  48          3HD2      LEU  48  -4.067   2.629  -6.677
  364    H    GLN  49           H        GLN  49  -3.255  -3.439  -6.221
  365    HA   GLN  49           HA       GLN  49  -5.625  -4.242  -7.754
  366   1HB   GLN  49          2HB       GLN  49  -3.439  -5.905  -6.492
  367   2HB   GLN  49          1HB       GLN  49  -4.828  -6.563  -7.344
  368   1HG   GLN  49          2HG       GLN  49  -4.112  -5.475  -9.394
  369   2HG   GLN  49          1HG       GLN  49  -2.737  -4.764  -8.547
  370   1HE2  GLN  49          1HE2      GLN  49  -2.375  -6.291 -10.790
  371   2HE2  GLN  49          2HE2      GLN  49  -1.608  -7.780 -10.363
  372    H    ALA  50           H        ALA  50  -7.332  -5.342  -6.791
  373    HA   ALA  50           HA       ALA  50  -7.319  -5.607  -3.878
  374   1HB   ALA  50          1HB       ALA  50  -8.948  -4.114  -3.455
  375   2HB   ALA  50          2HB       ALA  50  -9.809  -4.474  -4.953
  376   3HB   ALA  50          3HB       ALA  50  -8.419  -3.391  -4.974
  377    H    THR  51           H        THR  51  -9.061  -6.950  -3.060
  378    HA   THR  51           HA       THR  51  -9.506  -9.227  -4.706
  379    HB   THR  51           HB       THR  51 -10.796 -10.096  -2.801
  380    HG1  THR  51           HG1      THR  51 -10.430  -7.492  -1.741
  381   1HG2  THR  51          1HG2      THR  51  -8.678 -10.607  -2.244
  382   2HG2  THR  51          2HG2      THR  51  -8.982  -9.434  -0.962
  383   3HG2  THR  51          3HG2      THR  51  -8.111  -8.946  -2.415
  384    HA   PRO  52           HA       PRO  52 -13.305  -8.153  -6.671
  385   1HB   PRO  52          2HB       PRO  52 -14.435 -10.605  -6.972
  386   2HB   PRO  52          1HB       PRO  52 -13.062 -10.052  -7.939
  387   1HG   PRO  52          2HG       PRO  52 -13.087 -11.823  -5.525
  388   2HG   PRO  52          1HG       PRO  52 -12.164 -11.996  -7.030
  389   1HD   PRO  52          2HD       PRO  52 -11.069 -11.008  -4.763
  390   2HD   PRO  52          1HD       PRO  52 -10.569 -10.464  -6.376
  391    H    ALA  53           H        ALA  53 -15.623  -8.157  -6.412
  392    HA   ALA  53           HA       ALA  53 -16.434  -7.884  -3.707
  393   1HB   ALA  53          1HB       ALA  53 -18.481  -8.121  -5.841
  394   2HB   ALA  53          2HB       ALA  53 -17.322  -6.798  -5.956
  395   3HB   ALA  53          3HB       ALA  53 -18.341  -6.953  -4.526
  396    H    SER  54           H        SER  54 -16.195 -10.608  -5.708
  397    HA   SER  54           HA       SER  54 -18.356 -12.065  -4.420
  398   1HB   SER  54          2HB       SER  54 -16.348 -12.857  -6.537
  399   2HB   SER  54          1HB       SER  54 -17.579 -13.945  -5.895
  400    HG   SER  54           HG       SER  54 -18.111 -12.753  -7.885
  401    H    SER  55           H        SER  55 -15.325 -11.241  -3.504
  402    HA   SER  55           HA       SER  55 -14.789 -13.806  -2.174
  403   1HB   SER  55          2HB       SER  55 -12.990 -11.467  -2.821
  404   2HB   SER  55          1HB       SER  55 -12.505 -12.785  -1.757
  405    HG   SER  55           HG       SER  55 -11.817 -13.397  -3.732
  406    H    GLU  56           H        GLU  56 -15.556 -13.917  -0.186
  407    HA   GLU  56           HA       GLU  56 -16.444 -11.764   1.348
  408   1HB   GLU  56          2HB       GLU  56 -15.544 -14.503   2.251
  409   2HB   GLU  56          1HB       GLU  56 -16.442 -13.366   3.245
  410   1HG   GLU  56          2HG       GLU  56 -18.293 -13.452   1.626
  411   2HG   GLU  56          1HG       GLU  56 -17.396 -14.651   0.696
  412    H    LYS  57           H        LYS  57 -13.276 -12.906   0.778
  413    HA   LYS  57           HA       LYS  57 -12.169 -11.717   3.189
  414   1HB   LYS  57          2HB       LYS  57 -10.860 -13.105   0.846
  415   2HB   LYS  57          1HB       LYS  57  -9.988 -12.482   2.241
  416   1HG   LYS  57          2HG       LYS  57 -11.253 -14.000   3.694
  417   2HG   LYS  57          1HG       LYS  57 -12.084 -14.643   2.277
  418   1HD   LYS  57          2HD       LYS  57 -10.311 -16.146   2.806
  419   2HD   LYS  57          1HD       LYS  57  -9.836 -15.262   1.354
  420   1HE   LYS  57          2HE       LYS  57  -8.112 -14.247   2.384
  421   2HE   LYS  57          1HE       LYS  57  -9.016 -14.012   3.879
  422   1HZ   LYS  57          1HZ       LYS  57  -8.679 -16.637   3.944
  423   2HZ   LYS  57          2HZ       LYS  57  -7.566 -15.554   4.615
  424   3HZ   LYS  57          3HZ       LYS  57  -7.288 -16.210   3.082
  425    H    MET  58           H        MET  58 -11.793  -9.612   3.281
  426    HA   MET  58           HA       MET  58 -11.474  -8.075   0.828
  427   1HB   MET  58          2HB       MET  58 -11.794  -7.265   3.719
  428   2HB   MET  58          1HB       MET  58 -11.534  -6.114   2.417
  429   1HG   MET  58          2HG       MET  58 -13.807  -6.057   2.594
  430   2HG   MET  58          1HG       MET  58 -13.604  -7.294   1.354
  431   1HE   MET  58          1HE       MET  58 -15.545  -7.284   5.243
  432   2HE   MET  58          2HE       MET  58 -16.543  -7.378   3.792
  433   3HE   MET  58          3HE       MET  58 -15.319  -6.116   3.941
  434    H    MET  59           H        MET  59  -9.517  -7.781   0.008
  435    HA   MET  59           HA       MET  59  -7.313  -7.033   1.743
  436   1HB   MET  59          2HB       MET  59  -7.040  -9.378  -0.144
  437   2HB   MET  59          1HB       MET  59  -5.795  -8.730   0.915
  438   1HG   MET  59          2HG       MET  59  -7.219  -9.351   2.858
  439   2HG   MET  59          1HG       MET  59  -8.323 -10.139   1.733
  440   1HE   MET  59          1HE       MET  59  -4.057 -11.511   2.786
  441   2HE   MET  59          2HE       MET  59  -4.951 -10.213   3.577
  442   3HE   MET  59          3HE       MET  59  -4.338  -9.990   1.938
  443    H    LEU  60           H        LEU  60  -6.017  -5.562   0.799
  444    HA   LEU  60           HA       LEU  60  -6.343  -5.134  -2.099
  445   1HB   LEU  60          2HB       LEU  60  -6.298  -3.283   0.197
  446   2HB   LEU  60          1HB       LEU  60  -5.373  -2.762  -1.198
  447    HG   LEU  60           HG       LEU  60  -8.158  -3.695  -1.669
  448   1HD1  LEU  60          1HD1      LEU  60  -7.627  -0.899  -0.713
  449   2HD1  LEU  60          2HD1      LEU  60  -8.144  -2.183   0.380
  450   3HD1  LEU  60          3HD1      LEU  60  -9.176  -1.703  -0.968
  451   1HD2  LEU  60          1HD2      LEU  60  -6.682  -1.321  -2.776
  452   2HD2  LEU  60          2HD2      LEU  60  -8.087  -2.148  -3.450
  453   3HD2  LEU  60          3HD2      LEU  60  -6.514  -2.945  -3.441
  454    H    ARG  61           H        ARG  61  -4.605  -5.585  -3.264
  455    HA   ARG  61           HA       ARG  61  -1.977  -5.584  -1.949
  456   1HB   ARG  61          2HB       ARG  61  -2.744  -7.716  -2.965
  457   2HB   ARG  61          1HB       ARG  61  -2.801  -6.920  -4.531
  458   1HG   ARG  61          2HG       ARG  61  -0.378  -6.473  -4.350
  459   2HG   ARG  61          1HG       ARG  61  -0.356  -7.386  -2.840
  460   1HD   ARG  61          2HD       ARG  61  -1.160  -8.451  -5.545
  461   2HD   ARG  61          1HD       ARG  61   0.369  -8.761  -4.726
  462    HE   ARG  61           HE       ARG  61  -1.715  -9.536  -3.028
  463   1HH1  ARG  61          1HH1      ARG  61  -0.278 -10.487  -6.063
  464   2HH1  ARG  61          2HH1      ARG  61  -0.711 -12.154  -5.888
  465   1HH2  ARG  61          1HH2      ARG  61  -2.285 -11.729  -2.797
  466   2HH2  ARG  61          2HH2      ARG  61  -1.850 -12.860  -4.034
  467    H    LEU  62           H        LEU  62  -0.314  -4.377  -2.689
  468    HA   LEU  62           HA       LEU  62  -0.874  -2.611  -4.983
  469   1HB   LEU  62          2HB       LEU  62  -0.045  -2.024  -2.280
  470   2HB   LEU  62          1HB       LEU  62   1.142  -1.432  -3.427
  471    HG   LEU  62           HG       LEU  62  -0.765  -0.279  -4.630
  472   1HD1  LEU  62          1HD1      LEU  62  -2.838   0.019  -3.555
  473   2HD1  LEU  62          2HD1      LEU  62  -2.253  -0.700  -2.054
  474   3HD1  LEU  62          3HD1      LEU  62  -2.508  -1.711  -3.477
  475   1HD2  LEU  62          1HD2      LEU  62  -0.707   0.875  -1.918
  476   2HD2  LEU  62          2HD2      LEU  62  -0.320   1.607  -3.475
  477   3HD2  LEU  62          3HD2      LEU  62   0.863   0.578  -2.665
  478    H    ILE  63           H        ILE  63   0.468  -2.729  -6.651
  479    HA   ILE  63           HA       ILE  63   2.723  -4.529  -6.543
  480    HB   ILE  63           HB       ILE  63   1.888  -2.792  -8.863
  481   1HG1  ILE  63          2HG1      ILE  63  -0.038  -4.100  -8.187
  482   2HG1  ILE  63          1HG1      ILE  63   0.636  -4.790  -9.660
  483   1HG2  ILE  63          1HG2      ILE  63   3.321  -3.981 -10.150
  484   2HG2  ILE  63          2HG2      ILE  63   3.100  -5.465  -9.221
  485   3HG2  ILE  63          3HG2      ILE  63   4.153  -4.188  -8.609
  486   1HD1  ILE  63          1HD1      ILE  63   0.237  -5.994  -7.077
  487   2HD1  ILE  63          2HD1      ILE  63   1.914  -6.144  -7.601
  488   3HD1  ILE  63          3HD1      ILE  63   0.611  -6.746  -8.627
  489    H    GLY  64           H        GLY  64   4.700  -3.933  -5.963
  490   1HA   GLY  64          2HA       GLY  64   5.397  -1.107  -5.890
  491   2HA   GLY  64          1HA       GLY  64   6.324  -2.426  -5.193
  492    H    LYS  65           H        LYS  65   5.153  -1.798  -8.498
  493    HA   LYS  65           HA       LYS  65   6.218  -1.906 -10.509
  494   1HB   LYS  65          2HB       LYS  65   7.859  -0.198  -8.749
  495   2HB   LYS  65          1HB       LYS  65   8.656  -0.759 -10.214
  496   1HG   LYS  65          2HG       LYS  65   6.817   0.167 -11.550
  497   2HG   LYS  65          1HG       LYS  65   6.061   0.763 -10.071
  498   1HD   LYS  65          2HD       LYS  65   8.093   2.107  -9.625
  499   2HD   LYS  65          1HD       LYS  65   8.752   1.570 -11.172
  500   1HE   LYS  65          2HE       LYS  65   6.530   2.494 -12.144
  501   2HE   LYS  65          1HE       LYS  65   6.436   3.385 -10.626
  502   1HZ   LYS  65          1HZ       LYS  65   7.508   4.651 -12.419
  503   2HZ   LYS  65          2HZ       LYS  65   8.735   3.490 -12.501
  504   3HZ   LYS  65          3HZ       LYS  65   8.538   4.414 -11.098
  505    H    VAL  66           H        VAL  66   8.625  -2.351 -11.475
  506    HA   VAL  66           HA       VAL  66   9.378  -4.959 -10.337
  507    HB   VAL  66           HB       VAL  66   9.876  -3.972 -13.148
  508   1HG1  VAL  66          1HG1      VAL  66  11.390  -5.746 -12.179
  509   2HG1  VAL  66          2HG1      VAL  66  10.539  -6.183 -13.661
  510   3HG1  VAL  66          3HG1      VAL  66   9.972  -6.792 -12.106
  511   1HG2  VAL  66          1HG2      VAL  66   7.538  -4.154 -12.992
  512   2HG2  VAL  66          2HG2      VAL  66   7.634  -5.603 -11.989
  513   3HG2  VAL  66          3HG2      VAL  66   8.066  -5.682 -13.698
  514    H    ASP  67           H        ASP  67  10.987  -2.513 -12.378
  515    HA   ASP  67           HA       ASP  67  13.540  -3.108 -11.194
  516   1HB   ASP  67          2HB       ASP  67  12.686  -1.008 -13.195
  517   2HB   ASP  67          1HB       ASP  67  14.353  -1.271 -12.691
  518    H    GLU  68           H        GLU  68  14.467  -2.138  -9.514
  519    HA   GLU  68           HA       GLU  68  13.729   0.581  -8.788
  520   1HB   GLU  68          2HB       GLU  68  13.387  -1.773  -6.926
  521   2HB   GLU  68          1HB       GLU  68  13.392  -0.098  -6.395
  522   1HG   GLU  68          2HG       GLU  68  11.446   0.337  -7.837
  523   2HG   GLU  68          1HG       GLU  68  11.425  -1.368  -8.284
  524    H    SER  69           H        SER  69  16.104  -0.458  -9.874
  525    HA   SER  69           HA       SER  69  18.041  -0.932  -7.838
  526   1HB   SER  69          2HB       SER  69  18.465  -0.063 -10.704
  527   2HB   SER  69          1HB       SER  69  19.693  -0.737  -9.632
  528    HG   SER  69           HG       SER  69  18.759  -2.297 -11.060
  529    H    LYS  70           H        LYS  70  16.712   1.887  -9.320
  530    HA   LYS  70           HA       LYS  70  18.819   3.622  -8.321
  531   1HB   LYS  70          2HB       LYS  70  16.282   4.206  -9.853
  532   2HB   LYS  70          1HB       LYS  70  17.436   5.436  -9.354
  533   1HG   LYS  70          2HG       LYS  70  19.166   4.367 -10.706
  534   2HG   LYS  70          1HG       LYS  70  18.011   3.128 -11.203
  535   1HD   LYS  70          2HD       LYS  70  18.106   4.723 -12.961
  536   2HD   LYS  70          1HD       LYS  70  16.578   4.988 -12.117
  537   1HE   LYS  70          2HE       LYS  70  17.518   7.129 -12.511
  538   2HE   LYS  70          1HE       LYS  70  17.744   6.785 -10.797
  539   1HZ   LYS  70          1HZ       LYS  70  20.020   5.845 -11.745
  540   2HZ   LYS  70          2HZ       LYS  70  19.827   7.463 -11.291
  541   3HZ   LYS  70          3HZ       LYS  70  19.723   7.025 -12.922
  542    H    LYS  71           H        LYS  71  15.583   2.630  -7.502
  543    HA   LYS  71           HA       LYS  71  15.206   4.732  -5.555
  544   1HB   LYS  71          2HB       LYS  71  13.586   2.228  -6.049
  545   2HB   LYS  71          1HB       LYS  71  13.104   3.581  -5.035
  546   1HG   LYS  71          2HG       LYS  71  13.590   3.717  -8.004
  547   2HG   LYS  71          1HG       LYS  71  12.009   3.621  -7.224
  548   1HD   LYS  71          2HD       LYS  71  12.508   5.738  -6.044
  549   2HD   LYS  71          1HD       LYS  71  14.029   5.843  -6.933
  550   1HE   LYS  71          2HE       LYS  71  12.561   7.200  -8.144
  551   2HE   LYS  71          1HE       LYS  71  12.595   5.685  -9.044
  552   1HZ   LYS  71          1HZ       LYS  71  10.373   5.940  -8.930
  553   2HZ   LYS  71          2HZ       LYS  71  10.425   6.901  -7.539
  554   3HZ   LYS  71          3HZ       LYS  71  10.562   5.219  -7.409
  555    H    ARG  72           H        ARG  72  15.325   4.564  -3.354
  556    HA   ARG  72           HA       ARG  72  17.201   2.792  -2.258
  557   1HB   ARG  72          2HB       ARG  72  15.097   4.481  -0.894
  558   2HB   ARG  72          1HB       ARG  72  16.407   3.660  -0.057
  559   1HG   ARG  72          2HG       ARG  72  18.032   4.979  -1.345
  560   2HG   ARG  72          1HG       ARG  72  16.696   5.831  -2.124
  561   1HD   ARG  72          2HD       ARG  72  17.558   7.171  -0.312
  562   2HD   ARG  72          1HD       ARG  72  15.939   6.605   0.095
  563    HE   ARG  72           HE       ARG  72  18.432   5.851   1.372
  564   1HH1  ARG  72          1HH1      ARG  72  15.025   5.181   0.978
  565   2HH1  ARG  72          2HH1      ARG  72  14.907   4.285   2.453
  566   1HH2  ARG  72          1HH2      ARG  72  18.272   4.671   3.310
  567   2HH2  ARG  72          2HH2      ARG  72  16.747   3.996   3.776
  568    H    LYS  73           H        LYS  73  17.051   0.825  -1.375
  569    HA   LYS  73           HA       LYS  73  14.581  -0.625  -1.613
  570   1HB   LYS  73          2HB       LYS  73  17.277  -1.438  -0.515
  571   2HB   LYS  73          1HB       LYS  73  15.918  -2.534  -0.731
  572   1HG   LYS  73          2HG       LYS  73  15.950  -2.034  -3.151
  573   2HG   LYS  73          1HG       LYS  73  17.387  -1.043  -2.894
  574   1HD   LYS  73          2HD       LYS  73  18.534  -3.037  -1.964
  575   2HD   LYS  73          1HD       LYS  73  17.114  -4.001  -2.375
  576   1HE   LYS  73          2HE       LYS  73  18.778  -4.256  -4.100
  577   2HE   LYS  73          1HE       LYS  73  17.403  -3.356  -4.741
  578   1HZ   LYS  73          1HZ       LYS  73  19.881  -2.076  -3.728
  579   2HZ   LYS  73          2HZ       LYS  73  18.612  -1.331  -4.561
  580   3HZ   LYS  73          3HZ       LYS  73  19.610  -2.439  -5.358
  581    H    ASP  74           H        ASP  74  13.355  -1.531   0.033
  582    HA   ASP  74           HA       ASP  74  13.060  -0.009   2.373
  583   1HB   ASP  74          2HB       ASP  74  11.268  -1.380   1.271
  584   2HB   ASP  74          1HB       ASP  74  12.043  -2.817   1.931
  585    H    ASN  75           H        ASN  75  15.029  -2.738   1.646
  586    HA   ASN  75           HA       ASN  75  16.712  -3.739   2.809
  587   1HB   ASN  75          2HB       ASN  75  16.034  -1.874   5.079
  588   2HB   ASN  75          1HB       ASN  75  17.526  -2.780   4.866
  589   1HD2  ASN  75          1HD2      ASN  75  18.058  -2.360   2.221
  590   2HD2  ASN  75          2HD2      ASN  75  18.379  -0.685   1.949
  591    H    GLU  76           H        GLU  76  13.536  -3.930   3.507
  592    HA   GLU  76           HA       GLU  76  13.837  -5.718   5.801
  593   1HB   GLU  76          2HB       GLU  76  11.357  -4.612   4.471
  594   2HB   GLU  76          1HB       GLU  76  11.358  -5.666   5.878
  595   1HG   GLU  76          2HG       GLU  76  12.619  -3.957   7.124
  596   2HG   GLU  76          1HG       GLU  76  12.525  -2.897   5.720
  597    H    GLY  77           H        GLY  77  15.021  -7.100   4.092
  598   1HA   GLY  77          2HA       GLY  77  14.774  -9.369   3.420
  599   2HA   GLY  77          1HA       GLY  77  13.071  -9.065   3.122
  600    H    ASN  78           H        ASN  78  14.966  -6.566   1.889
  601    HA   ASN  78           HA       ASN  78  14.579  -7.595  -0.819
  602   1HB   ASN  78          2HB       ASN  78  15.276  -4.825   0.181
  603   2HB   ASN  78          1HB       ASN  78  15.067  -5.252  -1.514
  604   1HD2  ASN  78          1HD2      ASN  78  13.604  -3.466   0.443
  605   2HD2  ASN  78          2HD2      ASN  78  11.945  -3.908   0.251
  606    H    GLU  79           H        GLU  79  16.207  -8.149  -2.140
  607    HA   GLU  79           HA       GLU  79  18.950  -7.791  -1.131
  608   1HB   GLU  79          2HB       GLU  79  17.844  -9.915  -2.977
  609   2HB   GLU  79          1HB       GLU  79  19.531  -9.771  -2.500
  610   1HG   GLU  79          2HG       GLU  79  17.216 -10.293  -0.647
  611   2HG   GLU  79          1HG       GLU  79  18.372 -11.491  -1.225
  612    H    VAL  80           H        VAL  80  20.615  -7.861  -2.978
  613    HA   VAL  80           HA       VAL  80  20.286  -5.591  -4.574
  614    HB   VAL  80           HB       VAL  80  22.210  -7.860  -5.096
  615   1HG1  VAL  80          1HG1      VAL  80  21.915  -5.098  -6.120
  616   2HG1  VAL  80          2HG1      VAL  80  22.536  -6.544  -6.916
  617   3HG1  VAL  80          3HG1      VAL  80  23.552  -5.658  -5.780
  618   1HG2  VAL  80          1HG2      VAL  80  23.685  -6.043  -3.779
  619   2HG2  VAL  80          2HG2      VAL  80  22.872  -7.392  -2.985
  620   3HG2  VAL  80          3HG2      VAL  80  22.127  -5.793  -2.990
  621    H    VAL  81           H        VAL  81  19.728  -8.994  -5.262
  622    HA   VAL  81           HA       VAL  81  19.502  -8.921  -8.028
  623    HB   VAL  81           HB       VAL  81  17.770 -10.593  -6.208
  624   1HG1  VAL  81          1HG1      VAL  81  18.138 -12.224  -8.167
  625   2HG1  VAL  81          2HG1      VAL  81  18.613 -10.789  -9.076
  626   3HG1  VAL  81          3HG1      VAL  81  16.996 -10.898  -8.382
  627   1HG2  VAL  81          1HG2      VAL  81  19.657 -12.290  -6.566
  628   2HG2  VAL  81          2HG2      VAL  81  19.928 -10.993  -5.401
  629   3HG2  VAL  81          3HG2      VAL  81  20.646 -10.898  -7.009
  630    HA   PRO  82           HA       PRO  82  16.079  -5.962  -8.325
  631   1HB   PRO  82          2HB       PRO  82  16.262  -6.921 -11.141
  632   2HB   PRO  82          1HB       PRO  82  16.185  -5.269 -10.517
  633   1HG   PRO  82          2HG       PRO  82  18.482  -6.273 -11.405
  634   2HG   PRO  82          1HG       PRO  82  18.440  -5.227  -9.973
  635   1HD   PRO  82          2HD       PRO  82  18.759  -8.190 -10.149
  636   2HD   PRO  82          1HD       PRO  82  19.498  -7.039  -9.019
  637    H    LYS  83           H        LYS  83  14.139  -6.603  -7.653
  638    HA   LYS  83           HA       LYS  83  12.637  -8.527  -9.223
  639   1HB   LYS  83          2HB       LYS  83  13.649  -9.069  -6.486
  640   2HB   LYS  83          1HB       LYS  83  11.986  -9.533  -6.819
  641   1HG   LYS  83          2HG       LYS  83  14.174 -10.351  -8.681
  642   2HG   LYS  83          1HG       LYS  83  13.891 -11.243  -7.185
  643   1HD   LYS  83          2HD       LYS  83  11.391 -11.186  -8.044
  644   2HD   LYS  83          1HD       LYS  83  12.182 -10.995  -9.610
  645   1HE   LYS  83          2HE       LYS  83  13.622 -13.014  -8.831
  646   2HE   LYS  83          1HE       LYS  83  12.309 -13.284  -7.685
  647   1HZ   LYS  83          1HZ       LYS  83  11.701 -14.550  -9.502
  648   2HZ   LYS  83          2HZ       LYS  83  12.248 -13.414 -10.629
  649   3HZ   LYS  83          3HZ       LYS  83  10.827 -13.124  -9.760
  650    HA   PRO  84           HA       PRO  84   9.378  -5.744  -8.154
  651   1HB   PRO  84          2HB       PRO  84   7.217  -7.298  -8.631
  652   2HB   PRO  84          1HB       PRO  84   8.230  -6.656  -9.929
  653   1HG   PRO  84          2HG       PRO  84   8.240  -9.382  -8.692
  654   2HG   PRO  84          1HG       PRO  84   8.350  -8.930 -10.403
  655   1HD   PRO  84          2HD       PRO  84  10.519  -9.606  -8.914
  656   2HD   PRO  84          1HD       PRO  84  10.598  -8.455 -10.261
  657    H    GLN  85           H        GLN  85   8.534  -5.117  -6.271
  658    HA   GLN  85           HA       GLN  85   8.010  -7.168  -4.224
  659   1HB   GLN  85          2HB       GLN  85   8.425  -5.444  -2.556
  660   2HB   GLN  85          1HB       GLN  85   9.796  -5.572  -3.650
  661   1HG   GLN  85          2HG       GLN  85   8.973  -3.609  -4.877
  662   2HG   GLN  85          1HG       GLN  85   7.646  -3.467  -3.723
  663   1HE2  GLN  85          1HE2      GLN  85   7.999  -2.533  -1.780
  664   2HE2  GLN  85          2HE2      GLN  85   9.510  -1.852  -1.291
  665    H    ARG  86           H        ARG  86   5.978  -7.460  -3.575
  666    HA   ARG  86           HA       ARG  86   4.012  -5.344  -4.167
  667   1HB   ARG  86          2HB       ARG  86   3.601  -8.339  -4.174
  668   2HB   ARG  86          1HB       ARG  86   2.337  -7.144  -4.426
  669   1HG   ARG  86          2HG       ARG  86   3.518  -6.353  -6.435
  670   2HG   ARG  86          1HG       ARG  86   4.727  -7.615  -6.195
  671   1HD   ARG  86          2HD       ARG  86   2.896  -9.300  -6.333
  672   2HD   ARG  86          1HD       ARG  86   1.787  -7.993  -6.744
  673    HE   ARG  86           HE       ARG  86   3.919  -7.866  -8.525
  674   1HH1  ARG  86          1HH1      ARG  86   1.332 -10.063  -7.715
  675   2HH1  ARG  86          2HH1      ARG  86   1.223 -10.721  -9.314
  676   1HH2  ARG  86          1HH2      ARG  86   3.776  -8.727 -10.628
  677   2HH2  ARG  86          2HH2      ARG  86   2.610  -9.963 -10.968
  678    H    HIS  87           H        HIS  87   2.590  -4.761  -2.595
  679    HA   HIS  87           HA       HIS  87   2.975  -6.014   0.042
  680   1HB   HIS  87          2HB       HIS  87   2.496  -3.194  -0.818
  681   2HB   HIS  87          1HB       HIS  87   1.868  -3.710   0.743
  682    HD1  HIS  87           HD1      HIS  87   3.452  -3.502   2.635
  683    HD2  HIS  87           HD2      HIS  87   5.418  -3.720  -1.019
  684    HE1  HIS  87           HE1      HIS  87   5.889  -3.174   3.164
  685    HE2  HIS  87           HE2      HIS  87   7.050  -3.224   0.928
  686    H    MET  88           H        MET  88   1.376  -7.397   0.454
  687    HA   MET  88           HA       MET  88  -1.318  -6.822  -0.532
  688   1HB   MET  88          2HB       MET  88  -0.320  -9.061  -0.947
  689   2HB   MET  88          1HB       MET  88  -0.260  -9.328   0.791
  690   1HG   MET  88          2HG       MET  88  -2.721  -9.083   0.866
  691   2HG   MET  88          1HG       MET  88  -2.726  -8.954  -0.891
  692   1HE   MET  88          1HE       MET  88  -2.394 -12.430   1.847
  693   2HE   MET  88          2HE       MET  88  -1.809 -10.791   2.134
  694   3HE   MET  88          3HE       MET  88  -0.727 -12.004   1.449
  695    H    PHE  89           H        PHE  89  -2.821  -5.999   0.758
  696    HA   PHE  89           HA       PHE  89  -2.384  -6.118   3.667
  697   1HB   PHE  89          2HB       PHE  89  -3.784  -4.071   1.950
  698   2HB   PHE  89          1HB       PHE  89  -3.935  -4.108   3.704
  699    HD1  PHE  89           HD1      PHE  89  -1.968  -3.031   0.926
  700    HD2  PHE  89           HD2      PHE  89  -1.834  -3.896   5.089
  701    HE1  PHE  89           HE1      PHE  89   0.099  -1.711   1.128
  702    HE2  PHE  89           HE2      PHE  89   0.234  -2.572   5.301
  703    HZ   PHE  89           HZ       PHE  89   1.201  -1.479   3.318
  704    H    SER  90           H        SER  90  -4.199  -6.392   5.044
  705    HA   SER  90           HA       SER  90  -6.474  -7.752   3.746
  706   1HB   SER  90          2HB       SER  90  -6.129  -8.476   6.536
  707   2HB   SER  90          1HB       SER  90  -6.217  -9.515   5.116
  708    HG   SER  90           HG       SER  90  -3.902  -8.137   6.009
  709    H    PHE  91           H        PHE  91  -8.327  -6.687   3.943
  710    HA   PHE  91           HA       PHE  91  -8.582  -4.673   6.043
  711   1HB   PHE  91          2HB       PHE  91  -9.866  -5.102   3.379
  712   2HB   PHE  91          1HB       PHE  91 -10.722  -4.163   4.599
  713    HD1  PHE  91           HD1      PHE  91  -7.659  -4.346   2.568
  714    HD2  PHE  91           HD2      PHE  91 -10.068  -1.969   5.143
  715    HE1  PHE  91           HE1      PHE  91  -6.332  -2.368   1.962
  716    HE2  PHE  91           HE2      PHE  91  -8.747   0.026   4.542
  717    HZ   PHE  91           HZ       PHE  91  -6.876  -0.173   2.949
  718    H    ASN  92           H        ASN  92 -10.036  -4.761   7.630
  719    HA   ASN  92           HA       ASN  92 -11.660  -7.187   7.840
  720   1HB   ASN  92          2HB       ASN  92 -10.833  -5.132   9.900
  721   2HB   ASN  92          1HB       ASN  92 -11.928  -6.469  10.236
  722   1HD2  ASN  92          1HD2      ASN  92 -10.844  -8.571   9.029
  723   2HD2  ASN  92          2HD2      ASN  92  -9.266  -8.907   9.645
  724    H    ASN  93           H        ASN  93 -12.137  -4.445   6.373
  725    HA   ASN  93           HA       ASN  93 -14.954  -4.389   6.983
  726   1HB   ASN  93          2HB       ASN  93 -13.097  -2.184   7.681
  727   2HB   ASN  93          1HB       ASN  93 -14.646  -1.732   6.976
  728   1HD2  ASN  93          1HD2      ASN  93 -16.372  -1.661   8.250
  729   2HD2  ASN  93          2HD2      ASN  93 -16.438  -2.240   9.876
  730    H    ARG  94           H        ARG  94 -16.031  -4.353   5.139
  731    HA   ARG  94           HA       ARG  94 -14.793  -4.052   2.644
  732   1HB   ARG  94          2HB       ARG  94 -16.925  -5.293   3.086
  733   2HB   ARG  94          1HB       ARG  94 -17.739  -3.741   3.236
  734   1HG   ARG  94          2HG       ARG  94 -17.115  -3.207   0.923
  735   2HG   ARG  94          1HG       ARG  94 -16.349  -4.790   0.779
  736   1HD   ARG  94          2HD       ARG  94 -19.267  -4.255   1.326
  737   2HD   ARG  94          1HD       ARG  94 -18.578  -4.820  -0.194
  738    HE   ARG  94           HE       ARG  94 -19.149  -6.391   2.134
  739   1HH1  ARG  94          1HH1      ARG  94 -17.132  -6.151  -0.705
  740   2HH1  ARG  94          2HH1      ARG  94 -16.818  -7.852  -0.778
  741   1HH2  ARG  94          1HH2      ARG  94 -18.737  -8.629   2.038
  742   2HH2  ARG  94          2HH2      ARG  94 -17.730  -9.259   0.778
  743    H    THR  95           H        THR  95 -16.809  -1.807   4.519
  744    HA   THR  95           HA       THR  95 -16.807   0.261   2.636
  745    HB   THR  95           HB       THR  95 -16.954   0.925   5.504
  746    HG1  THR  95           HG1      THR  95 -18.757  -0.247   5.888
  747   1HG2  THR  95          1HG2      THR  95 -18.978   2.037   4.889
  748   2HG2  THR  95          2HG2      THR  95 -18.948   1.277   3.300
  749   3HG2  THR  95          3HG2      THR  95 -17.716   2.462   3.733
  750    H    VAL  96           H        VAL  96 -14.646  -0.645   5.211
  751    HA   VAL  96           HA       VAL  96 -13.111   1.737   5.197
  752    HB   VAL  96           HB       VAL  96 -12.404  -1.014   6.217
  753   1HG1  VAL  96          1HG1      VAL  96 -10.325   0.001   5.935
  754   2HG1  VAL  96          2HG1      VAL  96 -10.736   0.369   7.610
  755   3HG1  VAL  96          3HG1      VAL  96 -10.940   1.598   6.361
  756   1HG2  VAL  96          1HG2      VAL  96 -14.349   0.314   7.242
  757   2HG2  VAL  96          2HG2      VAL  96 -13.099   1.388   7.872
  758   3HG2  VAL  96          3HG2      VAL  96 -13.110  -0.315   8.329
  759    H    MET  97           H        MET  97 -12.859  -1.349   3.558
  760    HA   MET  97           HA       MET  97 -10.303  -0.783   2.399
  761   1HB   MET  97          2HB       MET  97 -10.639  -2.770   1.067
  762   2HB   MET  97          1HB       MET  97 -11.142  -3.091   2.720
  763   1HG   MET  97          2HG       MET  97 -13.403  -3.071   2.158
  764   2HG   MET  97          1HG       MET  97 -13.109  -2.279   0.613
  765   1HE   MET  97          1HE       MET  97 -11.022  -3.454  -0.771
  766   2HE   MET  97          2HE       MET  97 -12.464  -3.811  -1.721
  767   3HE   MET  97          3HE       MET  97 -11.294  -5.086  -1.382
  768    H    ASP  98           H        ASP  98 -13.636  -0.273   1.467
  769    HA   ASP  98           HA       ASP  98 -13.056   0.435  -1.228
  770   1HB   ASP  98          2HB       ASP  98 -15.502   0.919   0.476
  771   2HB   ASP  98          1HB       ASP  98 -15.407   1.286  -1.244
  772    H    ASN  99           H        ASN  99 -13.209   2.111   1.795
  773    HA   ASN  99           HA       ASN  99 -13.338   4.736   0.712
  774   1HB   ASN  99          2HB       ASN  99 -12.530   3.716   3.434
  775   2HB   ASN  99          1HB       ASN  99 -12.619   5.427   3.030
  776   1HD2  ASN  99          1HD2      ASN  99 -14.110   4.329   5.066
  777   2HD2  ASN  99          2HD2      ASN  99 -15.782   4.369   4.634
  778    H    ILE 100           H        ILE 100 -10.801   2.525   1.533
  779    HA   ILE 100           HA       ILE 100  -8.700   4.486   1.170
  780    HB   ILE 100           HB       ILE 100  -8.507   1.500   1.586
  781   1HG1  ILE 100          2HG1      ILE 100  -9.563   2.788   3.463
  782   2HG1  ILE 100          1HG1      ILE 100  -8.066   1.973   3.901
  783   1HG2  ILE 100          1HG2      ILE 100  -6.379   3.624   1.801
  784   2HG2  ILE 100          2HG2      ILE 100  -6.536   2.452   0.493
  785   3HG2  ILE 100          3HG2      ILE 100  -6.173   1.903   2.129
  786   1HD1  ILE 100          1HD1      ILE 100  -6.861   4.001   3.909
  787   2HD1  ILE 100          2HD1      ILE 100  -8.362   4.304   4.785
  788   3HD1  ILE 100          3HD1      ILE 100  -8.178   4.871   3.125
  789    H    LYS 101           H        LYS 101  -9.937   1.614  -0.495
  790    HA   LYS 101           HA       LYS 101  -8.091   1.414  -2.541
  791   1HB   LYS 101          2HB       LYS 101  -9.879  -0.229  -2.103
  792   2HB   LYS 101          1HB       LYS 101 -11.066   0.909  -2.726
  793   1HG   LYS 101          2HG       LYS 101  -9.772   0.866  -4.897
  794   2HG   LYS 101          1HG       LYS 101  -8.888  -0.509  -4.231
  795   1HD   LYS 101          2HD       LYS 101 -11.878  -0.345  -4.611
  796   2HD   LYS 101          1HD       LYS 101 -10.755  -1.239  -5.637
  797   1HE   LYS 101          2HE       LYS 101 -10.067  -2.397  -3.412
  798   2HE   LYS 101          1HE       LYS 101 -11.622  -1.805  -2.831
  799   1HZ   LYS 101          1HZ       LYS 101 -11.537  -4.121  -3.853
  800   2HZ   LYS 101          2HZ       LYS 101 -11.410  -3.338  -5.347
  801   3HZ   LYS 101          3HZ       LYS 101 -12.771  -3.086  -4.374
  802    H    MET 102           H        MET 102 -11.133   3.274  -2.559
  803    HA   MET 102           HA       MET 102 -10.721   4.370  -5.129
  804   1HB   MET 102          2HB       MET 102 -12.445   5.348  -2.853
  805   2HB   MET 102          1HB       MET 102 -12.518   5.966  -4.498
  806   1HG   MET 102          2HG       MET 102 -13.118   3.693  -5.273
  807   2HG   MET 102          1HG       MET 102 -13.164   3.171  -3.591
  808   1HE   MET 102          1HE       MET 102 -15.629   2.336  -3.571
  809   2HE   MET 102          2HE       MET 102 -15.618   2.592  -5.317
  810   3HE   MET 102          3HE       MET 102 -16.956   3.204  -4.343
  811    H    THR 103           H        THR 103  -9.796   5.391  -1.934
  812    HA   THR 103           HA       THR 103  -9.008   8.015  -2.698
  813    HB   THR 103           HB       THR 103  -9.051   6.406  -0.266
  814    HG1  THR 103           HG1      THR 103 -10.339   8.178  -0.411
  815   1HG2  THR 103          1HG2      THR 103  -6.630   6.626  -0.343
  816   2HG2  THR 103          2HG2      THR 103  -7.329   7.597   0.954
  817   3HG2  THR 103          3HG2      THR 103  -6.791   8.372  -0.537
  818    H    LEU 104           H        LEU 104  -7.386   4.913  -2.364
  819    HA   LEU 104           HA       LEU 104  -4.753   5.887  -2.760
  820   1HB   LEU 104          2HB       LEU 104  -5.995   3.163  -3.100
  821   2HB   LEU 104          1HB       LEU 104  -4.292   3.465  -3.394
  822    HG   LEU 104           HG       LEU 104  -5.707   3.884  -0.760
  823   1HD1  LEU 104          1HD1      LEU 104  -5.529   1.537  -1.246
  824   2HD1  LEU 104          2HD1      LEU 104  -4.327   1.961  -0.029
  825   3HD1  LEU 104          3HD1      LEU 104  -3.837   1.718  -1.705
  826   1HD2  LEU 104          1HD2      LEU 104  -3.384   4.134   0.100
  827   2HD2  LEU 104          2HD2      LEU 104  -3.897   5.439  -0.968
  828   3HD2  LEU 104          3HD2      LEU 104  -2.820   4.179  -1.569
  829    H    GLN 105           H        GLN 105  -7.340   4.898  -4.904
  830    HA   GLN 105           HA       GLN 105  -5.787   4.702  -7.258
  831   1HB   GLN 105          2HB       GLN 105  -8.725   5.147  -6.778
  832   2HB   GLN 105          1HB       GLN 105  -8.047   5.071  -8.399
  833   1HG   GLN 105          2HG       GLN 105  -7.280   2.819  -8.020
  834   2HG   GLN 105          1HG       GLN 105  -7.818   2.887  -6.342
  835   1HE2  GLN 105          1HE2      GLN 105  -8.550   1.439  -9.031
  836   2HE2  GLN 105          2HE2      GLN 105 -10.277   1.418  -8.972
  837    H    GLN 106           H        GLN 106  -7.327   7.352  -5.614
  838    HA   GLN 106           HA       GLN 106  -7.176   9.237  -7.708
  839   1HB   GLN 106          2HB       GLN 106  -7.248   9.604  -4.710
  840   2HB   GLN 106          1HB       GLN 106  -7.344  10.933  -5.854
  841   1HG   GLN 106          2HG       GLN 106  -9.399  10.038  -6.768
  842   2HG   GLN 106          1HG       GLN 106  -9.288   8.642  -5.698
  843   1HE2  GLN 106          1HE2      GLN 106 -11.520  10.244  -5.743
  844   2HE2  GLN 106          2HE2      GLN 106 -11.638  11.107  -4.251
  845    H    ILE 107           H        ILE 107  -4.958   8.365  -5.097
  846    HA   ILE 107           HA       ILE 107  -3.037  10.353  -5.503
  847    HB   ILE 107           HB       ILE 107  -2.651   7.498  -4.586
  848   1HG1  ILE 107          2HG1      ILE 107  -2.778  10.011  -2.918
  849   2HG1  ILE 107          1HG1      ILE 107  -4.197   9.030  -3.267
  850   1HG2  ILE 107          1HG2      ILE 107  -0.468   7.860  -4.565
  851   2HG2  ILE 107          2HG2      ILE 107  -0.700   9.251  -3.507
  852   3HG2  ILE 107          3HG2      ILE 107  -0.718   9.460  -5.259
  853   1HD1  ILE 107          1HD1      ILE 107  -3.693   7.635  -1.631
  854   2HD1  ILE 107          2HD1      ILE 107  -2.379   8.720  -1.175
  855   3HD1  ILE 107          3HD1      ILE 107  -2.073   7.379  -2.280
  856    H    ILE 108           H        ILE 108  -3.450   7.186  -6.998
  857    HA   ILE 108           HA       ILE 108  -1.162   7.025  -8.560
  858    HB   ILE 108           HB       ILE 108  -3.852   6.217  -9.613
  859   1HG1  ILE 108          2HG1      ILE 108  -3.993   5.364  -7.434
  860   2HG1  ILE 108          1HG1      ILE 108  -3.404   4.011  -8.390
  861   1HG2  ILE 108          1HG2      ILE 108  -2.267   5.750 -11.201
  862   2HG2  ILE 108          2HG2      ILE 108  -2.373   4.220 -10.329
  863   3HG2  ILE 108          3HG2      ILE 108  -1.037   5.328 -10.011
  864   1HD1  ILE 108          1HD1      ILE 108  -1.758   3.796  -6.932
  865   2HD1  ILE 108          2HD1      ILE 108  -2.231   5.285  -6.112
  866   3HD1  ILE 108          3HD1      ILE 108  -1.126   5.348  -7.483
  867    H    SER 109           H        SER 109  -4.291   8.336  -9.378
  868    HA   SER 109           HA       SER 109  -3.741   9.263 -11.937
  869   1HB   SER 109          2HB       SER 109  -5.625  10.522  -9.934
  870   2HB   SER 109          1HB       SER 109  -5.683  10.722 -11.685
  871    HG   SER 109           HG       SER 109  -7.153   9.119 -10.835
  872    H    ARG 110           H        ARG 110  -2.996  10.669  -8.851
  873    HA   ARG 110           HA       ARG 110  -2.349  13.255  -9.822
  874   1HB   ARG 110          2HB       ARG 110  -1.572  11.854  -7.266
  875   2HB   ARG 110          1HB       ARG 110  -1.232  13.545  -7.606
  876   1HG   ARG 110          2HG       ARG 110  -3.653  13.959  -7.816
  877   2HG   ARG 110          1HG       ARG 110  -3.952  12.277  -7.373
  878   1HD   ARG 110          2HD       ARG 110  -2.698  12.705  -5.249
  879   2HD   ARG 110          1HD       ARG 110  -2.656  14.412  -5.688
  880    HE   ARG 110           HE       ARG 110  -4.897  12.941  -4.657
  881   1HH1  ARG 110          1HH1      ARG 110  -3.923  15.718  -6.532
  882   2HH1  ARG 110          2HH1      ARG 110  -5.387  16.594  -6.229
  883   1HH2  ARG 110          1HH2      ARG 110  -6.822  14.090  -4.257
  884   2HH2  ARG 110          2HH2      ARG 110  -7.032  15.669  -4.936
  885    H    TYR 111           H        TYR 111  -0.592  10.286  -9.409
  886    HA   TYR 111           HA       TYR 111   2.002  11.410  -9.771
  887   1HB   TYR 111          2HB       TYR 111   0.878   8.640  -9.750
  888   2HB   TYR 111          1HB       TYR 111   2.496   8.897 -10.394
  889    HD1  TYR 111           HD1      TYR 111   4.248   9.922  -8.906
  890    HD2  TYR 111           HD2      TYR 111   0.484   8.608  -7.421
  891    HE1  TYR 111           HE1      TYR 111   5.165   9.894  -6.626
  892    HE2  TYR 111           HE2      TYR 111   1.392   8.576  -5.135
  893    HH   TYR 111           HH       TYR 111   3.599   8.394  -4.033
  894    H    LYS 112           H        LYS 112  -0.500  10.302 -11.882
  895    HA   LYS 112           HA       LYS 112   1.077  10.011 -14.220
  896   1HB   LYS 112          2HB       LYS 112  -1.883  10.585 -14.013
  897   2HB   LYS 112          1HB       LYS 112  -1.040   9.949 -15.420
  898   1HG   LYS 112          2HG       LYS 112  -1.344   8.563 -12.763
  899   2HG   LYS 112          1HG       LYS 112  -2.237   8.195 -14.239
  900   1HD   LYS 112          2HD       LYS 112  -0.601   6.854 -14.927
  901   2HD   LYS 112          1HD       LYS 112   0.563   8.175 -14.816
  902   1HE   LYS 112          2HE       LYS 112   0.934   7.683 -12.467
  903   2HE   LYS 112          1HE       LYS 112  -0.290   6.415 -12.520
  904   1HZ   LYS 112          1HZ       LYS 112   1.065   5.035 -13.739
  905   2HZ   LYS 112          2HZ       LYS 112   2.197   5.803 -12.744
  906   3HZ   LYS 112          3HZ       LYS 112   2.010   6.298 -14.351
  907    H    ASP 113           H        ASP 113  -0.616  12.683 -12.711
  908    HA   ASP 113           HA       ASP 113  -0.616  14.489 -14.848
  909   1HB   ASP 113          2HB       ASP 113  -0.458  14.980 -11.870
  910   2HB   ASP 113          1HB       ASP 113  -0.720  16.249 -13.061
  911    H    ALA 114           H        ALA 114   1.866  13.699 -12.478
  912    HA   ALA 114           HA       ALA 114   3.648  15.792 -13.021
  913   1HB   ALA 114          1HB       ALA 114   3.966  14.456 -11.071
  914   2HB   ALA 114          2HB       ALA 114   5.385  14.246 -12.097
  915   3HB   ALA 114          3HB       ALA 114   4.147  12.990 -12.034
  916    H    ASP 115           H        ASP 115   3.074  12.747 -14.660
  917    HA   ASP 115           HA       ASP 115   4.264  13.626 -17.061
  918   1HB   ASP 115          2HB       ASP 115   6.345  13.237 -15.764
  919   2HB   ASP 115          1HB       ASP 115   5.870  11.556 -15.546
  Start of MODEL    2
    1    HT1  PRO   1           HT2      PRO   1 -13.753  11.945   7.292
    2    HT2  PRO   1           HT1      PRO   1 -14.702  10.761   6.515
    3    HA   PRO   1           HA       PRO   1 -12.121  10.594   7.500
    4   1HB   PRO   1          2HB       PRO   1 -13.071   8.224   8.606
    5   2HB   PRO   1          1HB       PRO   1 -12.524   9.643   9.507
    6   1HG   PRO   1          2HG       PRO   1 -15.293   8.787   8.820
    7   2HG   PRO   1          1HG       PRO   1 -14.702   9.627  10.262
    8   1HD   PRO   1          2HD       PRO   1 -16.071  10.893   8.288
    9   2HD   PRO   1          1HD       PRO   1 -14.822  11.704   9.253
   10    H    SER   2           H        SER   2 -11.121   9.557   5.893
   11    HA   SER   2           HA       SER   2 -12.216   7.193   4.683
   12   1HB   SER   2          2HB       SER   2 -13.453   8.657   3.304
   13   2HB   SER   2          1HB       SER   2 -12.109   9.791   3.160
   14    HG   SER   2           HG       SER   2 -12.080   8.682   1.287
   15    H    HIS   3           H        HIS   3  -9.809   9.784   4.407
   16    HA   HIS   3           HA       HIS   3  -7.882   8.369   2.969
   17   1HB   HIS   3          2HB       HIS   3  -7.742  10.693   4.860
   18   2HB   HIS   3          1HB       HIS   3  -6.269   9.998   4.195
   19    HD1  HIS   3           HD1      HIS   3  -9.131  12.175   3.341
   20    HD2  HIS   3           HD2      HIS   3  -5.982  10.309   1.374
   21    HE1  HIS   3           HE1      HIS   3  -9.010  13.267   1.080
   22    HE2  HIS   3           HE2      HIS   3  -7.043  12.182  -0.061
   23    H    SER   4           H        SER   4  -8.797   8.186   6.287
   24    HA   SER   4           HA       SER   4  -6.542   6.360   6.804
   25   1HB   SER   4          2HB       SER   4  -6.826   6.922   9.208
   26   2HB   SER   4          1HB       SER   4  -6.405   8.328   8.231
   27    HG   SER   4           HG       SER   4  -9.048   7.629   8.991
   28    H    GLY   5           H        GLY   5  -7.011   4.313   7.200
   29   1HA   GLY   5          2HA       GLY   5  -9.524   3.560   8.445
   30   2HA   GLY   5          1HA       GLY   5  -9.318   3.017   6.785
   31    H    ALA   6           H        ALA   6  -9.507   1.487   9.327
   32    HA   ALA   6           HA       ALA   6  -6.988   0.473  10.039
   33   1HB   ALA   6          1HB       ALA   6  -8.204  -1.416  11.010
   34   2HB   ALA   6          2HB       ALA   6  -9.680  -0.864  10.215
   35   3HB   ALA   6          3HB       ALA   6  -8.918   0.135  11.454
   36    H    ALA   7           H        ALA   7  -5.763  -1.162   9.305
   37    HA   ALA   7           HA       ALA   7  -6.721  -2.971   7.276
   38   1HB   ALA   7          1HB       ALA   7  -4.556  -0.978   6.646
   39   2HB   ALA   7          2HB       ALA   7  -6.145  -1.091   5.888
   40   3HB   ALA   7          3HB       ALA   7  -4.959  -2.374   5.645
   41    H    ILE   8           H        ILE   8  -5.421  -4.809   6.988
   42    HA   ILE   8           HA       ILE   8  -3.459  -5.223   9.119
   43    HB   ILE   8           HB       ILE   8  -4.588  -7.258   7.205
   44   1HG1  ILE   8          2HG1      ILE   8  -5.478  -6.838  10.048
   45   2HG1  ILE   8          1HG1      ILE   8  -6.288  -6.069   8.683
   46   1HG2  ILE   8          1HG2      ILE   8  -3.566  -7.943   9.907
   47   2HG2  ILE   8          2HG2      ILE   8  -2.395  -7.589   8.638
   48   3HG2  ILE   8          3HG2      ILE   8  -3.563  -8.890   8.420
   49   1HD1  ILE   8          1HD1      ILE   8  -7.148  -8.332   9.607
   50   2HD1  ILE   8          2HD1      ILE   8  -5.822  -9.001   8.648
   51   3HD1  ILE   8          3HD1      ILE   8  -7.085  -8.043   7.867
   52    H    PHE   9           H        PHE   9  -1.386  -5.845   8.769
   53    HA   PHE   9           HA       PHE   9  -0.442  -6.246   6.046
   54   1HB   PHE   9          2HB       PHE   9  -0.189  -3.833   6.392
   55   2HB   PHE   9          1HB       PHE   9   0.719  -4.131   7.867
   56    HD1  PHE   9           HD1      PHE   9   0.842  -5.402   4.361
   57    HD2  PHE   9           HD2      PHE   9   2.954  -3.728   7.651
   58    HE1  PHE   9           HE1      PHE   9   2.926  -5.478   3.054
   59    HE2  PHE   9           HE2      PHE   9   5.043  -3.799   6.352
   60    HZ   PHE   9           HZ       PHE   9   5.031  -4.675   4.050
   61    H    GLU  10           H        GLU  10   0.373  -8.214   6.275
   62    HA   GLU  10           HA       GLU  10   1.879  -9.826   6.829
   63   1HB   GLU  10          2HB       GLU  10   2.943  -7.958   8.943
   64   2HB   GLU  10          1HB       GLU  10   3.735  -9.380   8.288
   65   1HG   GLU  10          2HG       GLU  10   3.834  -8.270   6.087
   66   2HG   GLU  10          1HG       GLU  10   3.141  -6.823   6.820
   67    H    LYS  11           H        LYS  11  -0.628 -10.075   7.731
   68    HA   LYS  11           HA       LYS  11  -1.920 -11.203   9.179
   69   1HB   LYS  11          2HB       LYS  11   0.824 -12.078   9.878
   70   2HB   LYS  11          1HB       LYS  11  -0.505 -12.578  10.919
   71   1HG   LYS  11          2HG       LYS  11  -0.729 -12.946   7.973
   72   2HG   LYS  11          1HG       LYS  11   0.264 -14.066   8.913
   73   1HD   LYS  11          2HD       LYS  11  -1.716 -14.434  10.404
   74   2HD   LYS  11          1HD       LYS  11  -2.673 -13.478   9.270
   75   1HE   LYS  11          2HE       LYS  11  -2.720 -15.122   7.717
   76   2HE   LYS  11          1HE       LYS  11  -1.089 -15.672   8.097
   77   1HZ   LYS  11          1HZ       LYS  11  -3.626 -16.362   9.440
   78   2HZ   LYS  11          2HZ       LYS  11  -2.145 -16.548  10.237
   79   3HZ   LYS  11          3HZ       LYS  11  -2.447 -17.396   8.805
   80    H    VAL  12           H        VAL  12  -0.596  -8.450   9.971
   81    HA   VAL  12           HA       VAL  12  -1.603  -8.545  12.708
   82    HB   VAL  12           HB       VAL  12   0.688  -6.861  11.697
   83   1HG1  VAL  12          1HG1      VAL  12  -0.756  -5.682  13.328
   84   2HG1  VAL  12          2HG1      VAL  12   0.873  -5.982  13.935
   85   3HG1  VAL  12          3HG1      VAL  12  -0.470  -6.990  14.477
   86   1HG2  VAL  12          1HG2      VAL  12   1.777  -8.796  12.109
   87   2HG2  VAL  12          2HG2      VAL  12   0.522  -9.397  13.192
   88   3HG2  VAL  12          3HG2      VAL  12   1.699  -8.219  13.773
   89    H    SER  13           H        SER  13  -3.047  -6.943  13.256
   90    HA   SER  13           HA       SER  13  -3.919  -5.272  11.011
   91   1HB   SER  13          2HB       SER  13  -5.589  -6.790  12.046
   92   2HB   SER  13          1HB       SER  13  -5.394  -5.930  13.572
   93    HG   SER  13           HG       SER  13  -7.003  -4.819  12.738
   94    H    GLY  14           H        GLY  14  -4.252  -3.121  11.159
   95   1HA   GLY  14          2HA       GLY  14  -3.865  -1.639  13.581
   96   2HA   GLY  14          1HA       GLY  14  -2.488  -1.527  12.490
   97    H    ILE  15           H        ILE  15  -3.489   0.819  12.881
   98    HA   ILE  15           HA       ILE  15  -5.629   1.339  10.981
   99    HB   ILE  15           HB       ILE  15  -4.210   3.157  12.920
  100   1HG1  ILE  15          2HG1      ILE  15  -6.347   1.303  13.171
  101   2HG1  ILE  15          1HG1      ILE  15  -5.731   2.418  14.387
  102   1HG2  ILE  15          1HG2      ILE  15  -6.432   3.775  10.976
  103   2HG2  ILE  15          2HG2      ILE  15  -4.817   4.486  11.014
  104   3HG2  ILE  15          3HG2      ILE  15  -5.961   4.821  12.315
  105   1HD1  ILE  15          1HD1      ILE  15  -7.965   2.898  12.434
  106   2HD1  ILE  15          2HD1      ILE  15  -7.279   4.145  13.475
  107   3HD1  ILE  15          3HD1      ILE  15  -8.079   2.743  14.187
  108    H    ILE  16           H        ILE  16  -5.330   2.009   9.000
  109    HA   ILE  16           HA       ILE  16  -2.630   2.754   8.140
  110    HB   ILE  16           HB       ILE  16  -4.844   1.246   6.960
  111   1HG1  ILE  16          2HG1      ILE  16  -1.880   1.496   6.440
  112   2HG1  ILE  16          1HG1      ILE  16  -2.725   0.219   7.301
  113   1HG2  ILE  16          1HG2      ILE  16  -3.520   3.383   5.289
  114   2HG2  ILE  16          2HG2      ILE  16  -5.244   3.146   5.573
  115   3HG2  ILE  16          3HG2      ILE  16  -4.342   1.980   4.605
  116   1HD1  ILE  16          1HD1      ILE  16  -2.025   0.322   4.575
  117   2HD1  ILE  16          2HD1      ILE  16  -3.784   0.367   4.673
  118   3HD1  ILE  16          3HD1      ILE  16  -2.891  -0.948   5.438
  119    H    ALA  17           H        ALA  17  -2.216   4.837   7.823
  120    HA   ALA  17           HA       ALA  17  -4.456   6.639   7.174
  121   1HB   ALA  17          1HB       ALA  17  -3.526   7.153   9.343
  122   2HB   ALA  17          2HB       ALA  17  -3.118   8.438   8.204
  123   3HB   ALA  17          3HB       ALA  17  -1.903   7.244   8.659
  124    H    ILE  18           H        ILE  18  -4.235   8.089   5.508
  125    HA   ILE  18           HA       ILE  18  -1.921   7.645   3.758
  126    HB   ILE  18           HB       ILE  18  -4.795   8.067   3.272
  127   1HG1  ILE  18          2HG1      ILE  18  -2.632   6.885   1.527
  128   2HG1  ILE  18          1HG1      ILE  18  -3.480   5.989   2.783
  129   1HG2  ILE  18          1HG2      ILE  18  -4.253  10.136   2.349
  130   2HG2  ILE  18          2HG2      ILE  18  -4.269   9.039   0.968
  131   3HG2  ILE  18          3HG2      ILE  18  -2.734   9.545   1.675
  132   1HD1  ILE  18          1HD1      ILE  18  -5.426   7.209   1.133
  133   2HD1  ILE  18          2HD1      ILE  18  -5.070   5.494   1.336
  134   3HD1  ILE  18          3HD1      ILE  18  -4.239   6.426   0.090
  135    H    ASN  19           H        ASN  19  -0.419   9.157   4.072
  136    HA   ASN  19           HA       ASN  19  -1.273  11.922   4.578
  137   1HB   ASN  19          2HB       ASN  19   1.432  10.630   4.999
  138   2HB   ASN  19          1HB       ASN  19   1.019  12.295   5.398
  139   1HD2  ASN  19          1HD2      ASN  19  -1.395  12.084   6.565
  140   2HD2  ASN  19          2HD2      ASN  19  -1.291  11.143   8.011
  141    H    GLU  20           H        GLU  20  -1.429  13.069   2.766
  142    HA   GLU  20           HA       GLU  20   0.318  12.486   0.513
  143   1HB   GLU  20          2HB       GLU  20  -2.006  14.402   0.782
  144   2HB   GLU  20          1HB       GLU  20  -1.107  14.119  -0.702
  145   1HG   GLU  20          2HG       GLU  20  -1.798  11.763  -0.650
  146   2HG   GLU  20          1HG       GLU  20  -2.740  12.089   0.805
  147    H    ASP  21           H        ASP  21   0.210  14.617   3.156
  148    HA   ASP  21           HA       ASP  21   1.260  16.978   2.169
  149   1HB   ASP  21          2HB       ASP  21   1.784  15.583   4.799
  150   2HB   ASP  21          1HB       ASP  21   2.317  17.224   4.444
  151    H    VAL  22           H        VAL  22   2.738  13.885   2.485
  152    HA   VAL  22           HA       VAL  22   5.432  14.842   2.262
  153    HB   VAL  22           HB       VAL  22   4.724  12.025   1.740
  154   1HG1  VAL  22          1HG1      VAL  22   7.044  13.565   2.675
  155   2HG1  VAL  22          2HG1      VAL  22   6.973  12.108   1.682
  156   3HG1  VAL  22          3HG1      VAL  22   6.809  11.990   3.434
  157   1HG2  VAL  22          1HG2      VAL  22   3.444  12.029   3.608
  158   2HG2  VAL  22          2HG2      VAL  22   4.225  13.469   4.265
  159   3HG2  VAL  22          3HG2      VAL  22   5.016  11.897   4.396
  160    H    SER  23           H        SER  23   6.836  14.383   0.481
  161    HA   SER  23           HA       SER  23   5.499  13.739  -2.042
  162   1HB   SER  23          2HB       SER  23   7.167  15.668  -2.921
  163   2HB   SER  23          1HB       SER  23   5.487  15.969  -2.480
  164    HG   SER  23           HG       SER  23   6.151  16.726  -0.505
  165    HA   PRO  24           HA       PRO  24   5.587  12.297  -3.413
  166   1HB   PRO  24          2HB       PRO  24   6.365   9.497  -3.012
  167   2HB   PRO  24          1HB       PRO  24   5.948  10.342  -4.506
  168   1HG   PRO  24          2HG       PRO  24   8.466   9.549  -3.963
  169   2HG   PRO  24          1HG       PRO  24   8.115  11.025  -4.883
  170   1HD   PRO  24          2HD       PRO  24   8.881  10.724  -2.000
  171   2HD   PRO  24          1HD       PRO  24   9.431  11.922  -3.193
  172    H    ALA  25           H        ALA  25   3.661  11.562  -2.539
  173    HA   ALA  25           HA       ALA  25   3.312  11.666   0.213
  174   1HB   ALA  25          1HB       ALA  25   1.601  10.497  -1.966
  175   2HB   ALA  25          2HB       ALA  25   1.418  12.039  -1.131
  176   3HB   ALA  25          3HB       ALA  25   1.086  10.530  -0.280
  177    H    GLU  26           H        GLU  26   2.224   9.816   1.498
  178    HA   GLU  26           HA       GLU  26   3.218   7.164   0.911
  179   1HB   GLU  26          2HB       GLU  26   4.244   8.685   3.314
  180   2HB   GLU  26          1HB       GLU  26   4.482   6.964   3.034
  181   1HG   GLU  26          2HG       GLU  26   5.695   7.515   0.950
  182   2HG   GLU  26          1HG       GLU  26   5.537   9.224   1.351
  183    H    LEU  27           H        LEU  27   2.400   5.540   2.355
  184    HA   LEU  27           HA       LEU  27   0.019   6.428   3.848
  185   1HB   LEU  27          2HB       LEU  27  -0.453   5.059   1.845
  186   2HB   LEU  27          1HB       LEU  27   0.524   3.767   2.514
  187    HG   LEU  27           HG       LEU  27  -1.822   4.800   4.059
  188   1HD1  LEU  27          1HD1      LEU  27  -1.917   2.814   1.793
  189   2HD1  LEU  27          2HD1      LEU  27  -2.741   4.373   1.874
  190   3HD1  LEU  27          3HD1      LEU  27  -3.210   3.070   2.966
  191   1HD2  LEU  27          1HD2      LEU  27  -1.825   2.285   4.624
  192   2HD2  LEU  27          2HD2      LEU  27  -0.571   3.307   5.324
  193   3HD2  LEU  27          3HD2      LEU  27  -0.202   2.284   3.934
  194    H    THR  28           H        THR  28   0.256   6.289   5.990
  195    HA   THR  28           HA       THR  28   2.320   4.664   7.145
  196    HB   THR  28           HB       THR  28   0.486   6.090   8.912
  197    HG1  THR  28           HG1      THR  28   1.861   7.502   6.886
  198   1HG2  THR  28          1HG2      THR  28   3.408   6.457   8.388
  199   2HG2  THR  28          2HG2      THR  28   2.727   5.349   9.578
  200   3HG2  THR  28          3HG2      THR  28   2.497   7.089   9.757
  201    H    TRP  29           H        TRP  29   2.005   3.051   8.669
  202    HA   TRP  29           HA       TRP  29  -0.719   2.059   9.063
  203   1HB   TRP  29          2HB       TRP  29   0.324   0.672   7.325
  204   2HB   TRP  29          1HB       TRP  29   1.694   0.358   8.391
  205    HD1  TRP  29           HD1      TRP  29  -2.125   0.088   8.968
  206    HE1  TRP  29           HE1      TRP  29  -2.627  -2.243   9.959
  207    HE3  TRP  29           HE3      TRP  29   2.621  -1.810   9.031
  208    HZ2  TRP  29           HZ2      TRP  29  -1.198  -4.546  10.669
  209    HZ3  TRP  29           HZ3      TRP  29   2.964  -4.094   9.889
  210    HH2  TRP  29           HH2      TRP  29   1.081  -5.439  10.689
  211    H    ARG  30           H        ARG  30  -1.064   2.267  11.178
  212    HA   ARG  30           HA       ARG  30   1.159   1.688  13.019
  213   1HB   ARG  30          2HB       ARG  30  -1.374   3.299  13.341
  214   2HB   ARG  30          1HB       ARG  30  -0.407   2.799  14.723
  215   1HG   ARG  30          2HG       ARG  30   1.512   4.007  13.827
  216   2HG   ARG  30          1HG       ARG  30   0.551   4.504  12.433
  217   1HD   ARG  30          2HD       ARG  30   0.014   5.205  15.317
  218   2HD   ARG  30          1HD       ARG  30   0.662   6.288  14.085
  219    HE   ARG  30           HE       ARG  30  -1.807   5.246  13.221
  220   1HH1  ARG  30          1HH1      ARG  30  -0.489   7.479  15.558
  221   2HH1  ARG  30          2HH1      ARG  30  -1.912   8.464  15.603
  222   1HH2  ARG  30          1HH2      ARG  30  -3.679   6.543  13.279
  223   2HH2  ARG  30          2HH2      ARG  30  -3.722   7.933  14.310
  224    H    SER  31           H        SER  31   1.093  -0.141  14.218
  225    HA   SER  31           HA       SER  31  -0.878  -2.083  13.799
  226   1HB   SER  31          2HB       SER  31   0.232  -3.356  15.553
  227   2HB   SER  31          1HB       SER  31   1.440  -2.587  14.525
  228    HG   SER  31           HG       SER  31   1.344  -0.846  16.209
  229    H    THR  32           H        THR  32  -2.279  -3.063  15.429
  230    HA   THR  32           HA       THR  32  -4.074  -1.246  16.534
  231    HB   THR  32           HB       THR  32  -3.589  -4.162  16.589
  232    HG1  THR  32           HG1      THR  32  -5.398  -4.156  15.496
  233   1HG2  THR  32          1HG2      THR  32  -5.408  -2.850  18.572
  234   2HG2  THR  32          2HG2      THR  32  -4.034  -3.907  18.897
  235   3HG2  THR  32          3HG2      THR  32  -5.477  -4.552  18.117
  236    H    ASP  33           H        ASP  33  -1.288  -2.865  17.789
  237    HA   ASP  33           HA       ASP  33  -1.751  -2.285  20.534
  238   1HB   ASP  33          2HB       ASP  33   0.771  -3.065  19.071
  239   2HB   ASP  33          1HB       ASP  33   0.645  -2.936  20.823
  240    H    GLY  34           H        GLY  34  -0.147  -0.657  17.921
  241   1HA   GLY  34          2HA       GLY  34   0.350   1.608  17.758
  242   2HA   GLY  34          1HA       GLY  34  -0.056   1.793  19.458
  243    H    ASP  35           H        ASP  35   2.129  -0.692  18.471
  244    HA   ASP  35           HA       ASP  35   4.337   0.825  19.674
  245   1HB   ASP  35          2HB       ASP  35   3.861  -2.156  19.551
  246   2HB   ASP  35          1HB       ASP  35   5.349  -1.421  20.141
  247    H    LYS  36           H        LYS  36   3.226  -0.715  16.826
  248    HA   LYS  36           HA       LYS  36   5.871  -0.323  15.594
  249   1HB   LYS  36          2HB       LYS  36   4.166  -2.687  15.638
  250   2HB   LYS  36          1HB       LYS  36   4.582  -2.195  14.001
  251   1HG   LYS  36          2HG       LYS  36   6.965  -2.216  14.636
  252   2HG   LYS  36          1HG       LYS  36   6.507  -2.808  16.233
  253   1HD   LYS  36          2HD       LYS  36   5.447  -4.771  15.151
  254   2HD   LYS  36          1HD       LYS  36   6.041  -4.192  13.593
  255   1HE   LYS  36          2HE       LYS  36   8.339  -4.364  14.396
  256   2HE   LYS  36          1HE       LYS  36   7.757  -4.909  15.969
  257   1HZ   LYS  36          1HZ       LYS  36   7.385  -6.336  13.391
  258   2HZ   LYS  36          2HZ       LYS  36   6.800  -6.856  14.890
  259   3HZ   LYS  36          3HZ       LYS  36   8.467  -6.770  14.618
  260    H    VAL  37           H        VAL  37   5.900   1.065  13.963
  261    HA   VAL  37           HA       VAL  37   3.369   1.645  12.568
  262    HB   VAL  37           HB       VAL  37   5.528   3.665  13.193
  263   1HG1  VAL  37          1HG1      VAL  37   2.838   4.573  12.472
  264   2HG1  VAL  37          2HG1      VAL  37   3.689   3.724  11.181
  265   3HG1  VAL  37          3HG1      VAL  37   4.414   5.146  11.929
  266   1HG2  VAL  37          1HG2      VAL  37   3.377   4.540  14.553
  267   2HG2  VAL  37          2HG2      VAL  37   4.640   3.535  15.265
  268   3HG2  VAL  37          3HG2      VAL  37   3.143   2.798  14.695
  269    H    HIS  38           H        HIS  38   3.462   1.177  10.486
  270    HA   HIS  38           HA       HIS  38   6.097   1.157   9.166
  271   1HB   HIS  38          2HB       HIS  38   5.000  -1.016   9.153
  272   2HB   HIS  38          1HB       HIS  38   3.574  -0.307   8.412
  273    HD1  HIS  38           HD1      HIS  38   6.431  -2.198   7.531
  274    HD2  HIS  38           HD2      HIS  38   4.390   0.965   5.772
  275    HE1  HIS  38           HE1      HIS  38   7.084  -2.243   5.102
  276    HE2  HIS  38           HE2      HIS  38   5.906  -0.266   4.077
  277    H    THR  39           H        THR  39   6.413   2.181   7.276
  278    HA   THR  39           HA       THR  39   4.263   3.992   6.388
  279    HB   THR  39           HB       THR  39   7.219   4.480   6.039
  280    HG1  THR  39           HG1      THR  39   7.170   5.674   7.878
  281   1HG2  THR  39          1HG2      THR  39   5.805   5.792   4.565
  282   2HG2  THR  39          2HG2      THR  39   6.568   6.808   5.787
  283   3HG2  THR  39          3HG2      THR  39   4.871   6.356   5.951
  284    H    VAL  40           H        VAL  40   3.606   3.852   4.337
  285    HA   VAL  40           HA       VAL  40   5.131   2.099   2.529
  286    HB   VAL  40           HB       VAL  40   2.212   2.822   2.307
  287   1HG1  VAL  40          1HG1      VAL  40   3.579   0.450   1.096
  288   2HG1  VAL  40          2HG1      VAL  40   3.575   2.018   0.287
  289   3HG1  VAL  40          3HG1      VAL  40   2.051   1.204   0.642
  290   1HG2  VAL  40          1HG2      VAL  40   1.625   0.819   3.383
  291   2HG2  VAL  40          2HG2      VAL  40   2.859   1.548   4.409
  292   3HG2  VAL  40          3HG2      VAL  40   3.280   0.212   3.337
  293    H    VAL  41           H        VAL  41   5.777   2.812   0.571
  294    HA   VAL  41           HA       VAL  41   5.417   5.653   0.003
  295    HB   VAL  41           HB       VAL  41   7.147   3.668  -1.479
  296   1HG1  VAL  41          1HG1      VAL  41   7.164   5.408  -2.913
  297   2HG1  VAL  41          2HG1      VAL  41   8.336   6.069  -1.772
  298   3HG1  VAL  41          3HG1      VAL  41   6.645   6.564  -1.685
  299   1HG2  VAL  41          1HG2      VAL  41   9.016   4.706  -0.160
  300   2HG2  VAL  41          2HG2      VAL  41   7.928   3.675   0.769
  301   3HG2  VAL  41          3HG2      VAL  41   7.789   5.429   0.878
  302    H    LEU  42           H        LEU  42   4.023   6.370  -1.464
  303    HA   LEU  42           HA       LEU  42   2.534   4.457  -3.056
  304   1HB   LEU  42          2HB       LEU  42   2.120   7.428  -3.067
  305   2HB   LEU  42          1HB       LEU  42   0.956   6.159  -3.394
  306    HG   LEU  42           HG       LEU  42   2.119   6.877  -0.704
  307   1HD1  LEU  42          1HD1      LEU  42  -0.647   6.975  -0.616
  308   2HD1  LEU  42          2HD1      LEU  42  -0.235   7.708  -2.165
  309   3HD1  LEU  42          3HD1      LEU  42   0.455   8.349  -0.674
  310   1HD2  LEU  42          1HD2      LEU  42   0.075   5.172  -0.190
  311   2HD2  LEU  42          2HD2      LEU  42   1.775   4.700  -0.256
  312   3HD2  LEU  42          3HD2      LEU  42   0.738   4.468  -1.666
  313    H    SER  43           H        SER  43   5.259   6.403  -3.510
  314    HA   SER  43           HA       SER  43   4.823   7.001  -6.290
  315   1HB   SER  43          2HB       SER  43   6.230   8.557  -5.253
  316   2HB   SER  43          1HB       SER  43   7.141   7.311  -4.399
  317    HG   SER  43           HG       SER  43   8.338   6.976  -6.129
  318    H    THR  44           H        THR  44   6.277   4.451  -4.423
  319    HA   THR  44           HA       THR  44   7.638   3.286  -6.675
  320    HB   THR  44           HB       THR  44   8.547   3.069  -4.399
  321    HG1  THR  44           HG1      THR  44   7.757   0.616  -5.579
  322   1HG2  THR  44          1HG2      THR  44   7.577   1.582  -2.779
  323   2HG2  THR  44          2HG2      THR  44   6.211   1.259  -3.847
  324   3HG2  THR  44          3HG2      THR  44   6.434   2.869  -3.163
  325    H    ILE  45           H        ILE  45   4.503   3.124  -5.307
  326    HA   ILE  45           HA       ILE  45   3.767   0.513  -6.098
  327    HB   ILE  45           HB       ILE  45   1.922   2.886  -5.835
  328   1HG1  ILE  45          2HG1      ILE  45   3.238   2.747  -3.814
  329   2HG1  ILE  45          1HG1      ILE  45   1.628   2.120  -3.478
  330   1HG2  ILE  45          1HG2      ILE  45   1.402  -0.054  -5.431
  331   2HG2  ILE  45          2HG2      ILE  45   0.988   0.853  -6.885
  332   3HG2  ILE  45          3HG2      ILE  45   0.220   1.252  -5.348
  333   1HD1  ILE  45          1HD1      ILE  45   4.190   0.601  -3.801
  334   2HD1  ILE  45          2HD1      ILE  45   2.612  -0.184  -3.878
  335   3HD1  ILE  45          3HD1      ILE  45   3.107   0.657  -2.410
  336    H    ASP  46           H        ASP  46   4.243   0.004  -8.187
  337    HA   ASP  46           HA       ASP  46   3.852   1.699 -10.406
  338   1HB   ASP  46          2HB       ASP  46   5.329  -0.327 -10.364
  339   2HB   ASP  46          1HB       ASP  46   3.880  -1.327 -10.411
  340    H    LYS  47           H        LYS  47   1.740  -0.451  -8.666
  341    HA   LYS  47           HA       LYS  47  -0.564   0.633  -9.961
  342   1HB   LYS  47          2HB       LYS  47  -1.160  -1.012 -11.388
  343   2HB   LYS  47          1HB       LYS  47   0.544  -1.436 -11.338
  344   1HG   LYS  47          2HG       LYS  47  -0.043  -3.003  -9.440
  345   2HG   LYS  47          1HG       LYS  47  -1.732  -2.725  -9.868
  346   1HD   LYS  47          2HD       LYS  47  -0.565  -3.282 -12.296
  347   2HD   LYS  47          1HD       LYS  47   0.294  -4.357 -11.191
  348   1HE   LYS  47          2HE       LYS  47  -2.132  -4.863 -10.317
  349   2HE   LYS  47          1HE       LYS  47  -2.596  -4.286 -11.916
  350   1HZ   LYS  47          1HZ       LYS  47  -1.117  -6.694 -11.164
  351   2HZ   LYS  47          2HZ       LYS  47  -0.712  -5.955 -12.630
  352   3HZ   LYS  47          3HZ       LYS  47  -2.297  -6.480 -12.358
  353    H    LEU  48           H        LEU  48  -2.604  -0.492  -9.124
  354    HA   LEU  48           HA       LEU  48  -2.200  -1.763  -6.525
  355   1HB   LEU  48          2HB       LEU  48  -3.522  -0.228  -5.318
  356   2HB   LEU  48          1HB       LEU  48  -2.365   0.730  -6.221
  357    HG   LEU  48           HG       LEU  48  -5.285   0.345  -6.883
  358   1HD1  LEU  48          1HD1      LEU  48  -4.117   3.017  -6.484
  359   2HD1  LEU  48          2HD1      LEU  48  -4.228   2.005  -5.043
  360   3HD1  LEU  48          3HD1      LEU  48  -5.678   2.368  -5.979
  361   1HD2  LEU  48          1HD2      LEU  48  -4.414   0.542  -8.990
  362   2HD2  LEU  48          2HD2      LEU  48  -3.013   1.465  -8.445
  363   3HD2  LEU  48          3HD2      LEU  48  -4.589   2.244  -8.564
  364    H    GLN  49           H        GLN  49  -3.691  -3.272  -6.046
  365    HA   GLN  49           HA       GLN  49  -6.143  -3.366  -7.669
  366   1HB   GLN  49          2HB       GLN  49  -4.357  -5.715  -7.004
  367   2HB   GLN  49          1HB       GLN  49  -5.910  -5.820  -7.821
  368   1HG   GLN  49          2HG       GLN  49  -4.974  -4.387  -9.631
  369   2HG   GLN  49          1HG       GLN  49  -3.404  -4.506  -8.838
  370   1HE2  GLN  49          1HE2      GLN  49  -2.306  -6.465  -8.848
  371   2HE2  GLN  49          2HE2      GLN  49  -2.726  -7.751  -9.924
  372    H    ALA  50           H        ALA  50  -7.833  -4.771  -6.717
  373    HA   ALA  50           HA       ALA  50  -7.598  -5.154  -3.825
  374   1HB   ALA  50          1HB       ALA  50  -9.874  -4.103  -3.544
  375   2HB   ALA  50          2HB       ALA  50  -9.684  -3.457  -5.175
  376   3HB   ALA  50          3HB       ALA  50  -8.556  -2.989  -3.904
  377    H    THR  51           H        THR  51  -9.404  -6.442  -2.935
  378    HA   THR  51           HA       THR  51  -9.901  -8.716  -4.567
  379    HB   THR  51           HB       THR  51 -11.421  -9.340  -2.568
  380    HG1  THR  51           HG1      THR  51 -11.659  -7.882  -1.102
  381   1HG2  THR  51          1HG2      THR  51  -9.341 -10.397  -2.610
  382   2HG2  THR  51          2HG2      THR  51  -9.421  -9.623  -1.027
  383   3HG2  THR  51          3HG2      THR  51  -8.471  -8.892  -2.320
  384    HA   PRO  52           HA       PRO  52 -13.693  -7.585  -6.521
  385   1HB   PRO  52          2HB       PRO  52 -14.881 -10.028  -6.747
  386   2HB   PRO  52          1HB       PRO  52 -13.542  -9.500  -7.772
  387   1HG   PRO  52          2HG       PRO  52 -13.494 -11.251  -5.347
  388   2HG   PRO  52          1HG       PRO  52 -12.622 -11.438  -6.880
  389   1HD   PRO  52          2HD       PRO  52 -11.437 -10.455  -4.663
  390   2HD   PRO  52          1HD       PRO  52 -11.002  -9.901  -6.293
  391    H    ALA  53           H        ALA  53 -15.989  -7.484  -6.214
  392    HA   ALA  53           HA       ALA  53 -16.746  -7.203  -3.491
  393   1HB   ALA  53          1HB       ALA  53 -17.617  -6.099  -5.784
  394   2HB   ALA  53          2HB       ALA  53 -18.538  -6.087  -4.280
  395   3HB   ALA  53          3HB       ALA  53 -18.885  -7.297  -5.516
  396    H    SER  54           H        SER  54 -16.650  -9.911  -5.510
  397    HA   SER  54           HA       SER  54 -18.888 -11.264  -4.240
  398   1HB   SER  54          2HB       SER  54 -18.301 -11.521  -6.699
  399   2HB   SER  54          1HB       SER  54 -16.903 -12.458  -6.176
  400    HG   SER  54           HG       SER  54 -18.913 -13.646  -6.690
  401    H    SER  55           H        SER  55 -15.795 -10.624  -3.335
  402    HA   SER  55           HA       SER  55 -15.401 -13.217  -2.024
  403   1HB   SER  55          2HB       SER  55 -13.126 -12.823  -2.033
  404   2HB   SER  55          1HB       SER  55 -13.600 -11.943  -3.487
  405    HG   SER  55           HG       SER  55 -12.341 -10.985  -1.407
  406    H    GLU  56           H        GLU  56 -16.167 -13.327  -0.034
  407    HA   GLU  56           HA       GLU  56 -16.971 -11.150   1.519
  408   1HB   GLU  56          2HB       GLU  56 -16.216 -13.950   2.371
  409   2HB   GLU  56          1HB       GLU  56 -17.029 -12.781   3.404
  410   1HG   GLU  56          2HG       GLU  56 -18.904 -12.716   1.808
  411   2HG   GLU  56          1HG       GLU  56 -18.096 -13.952   0.845
  412    H    LYS  57           H        LYS  57 -13.859 -12.431   0.941
  413    HA   LYS  57           HA       LYS  57 -12.717 -11.266   3.361
  414   1HB   LYS  57          2HB       LYS  57 -10.626 -12.290   2.648
  415   2HB   LYS  57          1HB       LYS  57 -11.924 -13.475   2.616
  416   1HG   LYS  57          2HG       LYS  57 -12.122 -13.157   0.182
  417   2HG   LYS  57          1HG       LYS  57 -10.763 -12.033   0.241
  418   1HD   LYS  57          2HD       LYS  57  -9.890 -14.142  -0.423
  419   2HD   LYS  57          1HD       LYS  57  -9.407 -13.892   1.256
  420   1HE   LYS  57          2HE       LYS  57 -10.829 -15.508   2.051
  421   2HE   LYS  57          1HE       LYS  57 -11.949 -15.337   0.699
  422   1HZ   LYS  57          1HZ       LYS  57  -9.529 -16.949   0.916
  423   2HZ   LYS  57          2HZ       LYS  57  -9.843 -16.249  -0.592
  424   3HZ   LYS  57          3HZ       LYS  57 -10.983 -17.280   0.114
  425    H    MET  58           H        MET  58 -11.870  -9.295   3.426
  426    HA   MET  58           HA       MET  58 -11.585  -7.801   0.931
  427   1HB   MET  58          2HB       MET  58 -11.287  -6.706   3.722
  428   2HB   MET  58          1HB       MET  58 -11.649  -5.825   2.245
  429   1HG   MET  58          2HG       MET  58 -13.813  -6.038   2.613
  430   2HG   MET  58          1HG       MET  58 -13.662  -7.793   2.632
  431   1HE   MET  58          1HE       MET  58 -15.402  -8.520   4.762
  432   2HE   MET  58          2HE       MET  58 -15.883  -7.027   3.956
  433   3HE   MET  58          3HE       MET  58 -15.871  -7.114   5.717
  434    H    MET  59           H        MET  59  -9.669  -7.570   0.004
  435    HA   MET  59           HA       MET  59  -7.281  -7.218   1.619
  436   1HB   MET  59          2HB       MET  59  -7.399  -9.648   1.367
  437   2HB   MET  59          1HB       MET  59  -7.538  -9.475  -0.378
  438   1HG   MET  59          2HG       MET  59  -5.280  -8.301  -0.272
  439   2HG   MET  59          1HG       MET  59  -5.164  -8.940   1.368
  440   1HE   MET  59          1HE       MET  59  -5.538 -11.192   1.996
  441   2HE   MET  59          2HE       MET  59  -4.596 -12.472   1.231
  442   3HE   MET  59          3HE       MET  59  -6.312 -12.301   0.864
  443    H    LEU  60           H        LEU  60  -6.017  -5.707   0.734
  444    HA   LEU  60           HA       LEU  60  -6.380  -5.107  -2.130
  445   1HB   LEU  60          2HB       LEU  60  -5.839  -3.315   0.221
  446   2HB   LEU  60          1HB       LEU  60  -5.488  -2.801  -1.418
  447    HG   LEU  60           HG       LEU  60  -7.833  -3.020  -2.029
  448   1HD1  LEU  60          1HD1      LEU  60  -8.870  -4.666  -0.873
  449   2HD1  LEU  60          2HD1      LEU  60  -9.349  -3.309   0.148
  450   3HD1  LEU  60          3HD1      LEU  60  -7.988  -4.328   0.617
  451   1HD2  LEU  60          1HD2      LEU  60  -8.118  -1.519   0.484
  452   2HD2  LEU  60          2HD2      LEU  60  -8.394  -1.011  -1.182
  453   3HD2  LEU  60          3HD2      LEU  60  -6.755  -1.046  -0.532
  454    H    ARG  61           H        ARG  61  -4.693  -5.618  -3.344
  455    HA   ARG  61           HA       ARG  61  -2.046  -5.816  -2.094
  456   1HB   ARG  61          2HB       ARG  61  -2.884  -7.838  -3.217
  457   2HB   ARG  61          1HB       ARG  61  -3.034  -6.939  -4.721
  458   1HG   ARG  61          2HG       ARG  61  -0.600  -6.562  -4.708
  459   2HG   ARG  61          1HG       ARG  61  -0.481  -7.541  -3.245
  460   1HD   ARG  61          2HD       ARG  61  -1.526  -8.477  -5.916
  461   2HD   ARG  61          1HD       ARG  61   0.070  -8.832  -5.253
  462    HE   ARG  61           HE       ARG  61  -1.964  -9.647  -3.457
  463   1HH1  ARG  61          1HH1      ARG  61  -0.437 -10.547  -6.462
  464   2HH1  ARG  61          2HH1      ARG  61  -0.781 -12.233  -6.277
  465   1HH2  ARG  61          1HH2      ARG  61  -2.417 -11.864  -3.211
  466   2HH2  ARG  61          2HH2      ARG  61  -1.906 -12.981  -4.431
  467    H    LEU  62           H        LEU  62  -0.308  -4.681  -2.830
  468    HA   LEU  62           HA       LEU  62  -0.790  -2.785  -5.031
  469   1HB   LEU  62          2HB       LEU  62  -0.158  -2.251  -2.280
  470   2HB   LEU  62          1HB       LEU  62   1.148  -1.679  -3.301
  471    HG   LEU  62           HG       LEU  62  -0.601  -0.446  -4.654
  472   1HD1  LEU  62          1HD1      LEU  62  -2.692   0.065  -3.324
  473   2HD1  LEU  62          2HD1      LEU  62  -2.290  -1.339  -2.334
  474   3HD1  LEU  62          3HD1      LEU  62  -2.604  -1.536  -4.059
  475   1HD2  LEU  62          1HD2      LEU  62  -0.241   1.410  -3.413
  476   2HD2  LEU  62          2HD2      LEU  62   0.865   0.339  -2.553
  477   3HD2  LEU  62          3HD2      LEU  62  -0.750   0.639  -1.911
  478    H    ILE  63           H        ILE  63   0.607  -2.933  -6.644
  479    HA   ILE  63           HA       ILE  63   3.049  -4.500  -6.258
  480    HB   ILE  63           HB       ILE  63   1.755  -3.588  -8.835
  481   1HG1  ILE  63          2HG1      ILE  63   1.490  -6.279  -8.808
  482   2HG1  ILE  63          1HG1      ILE  63   1.382  -5.950  -7.082
  483   1HG2  ILE  63          1HG2      ILE  63   3.531  -5.878  -8.976
  484   2HG2  ILE  63          2HG2      ILE  63   4.360  -4.435  -8.391
  485   3HG2  ILE  63          3HG2      ILE  63   3.514  -4.400  -9.937
  486   1HD1  ILE  63          1HD1      ILE  63  -0.812  -5.840  -7.683
  487   2HD1  ILE  63          2HD1      ILE  63  -0.459  -5.177  -9.279
  488   3HD1  ILE  63          3HD1      ILE  63  -0.348  -4.148  -7.852
  489    H    GLY  64           H        GLY  64   5.049  -3.682  -6.488
  490   1HA   GLY  64          2HA       GLY  64   5.316  -0.800  -6.572
  491   2HA   GLY  64          1HA       GLY  64   6.602  -1.960  -6.276
  492    H    LYS  65           H        LYS  65   7.572  -0.187  -7.755
  493    HA   LYS  65           HA       LYS  65   7.247  -1.059 -10.553
  494   1HB   LYS  65          2HB       LYS  65   7.864   1.179 -11.265
  495   2HB   LYS  65          1HB       LYS  65   6.481   1.258 -10.182
  496   1HG   LYS  65          2HG       LYS  65   8.052   1.823  -8.331
  497   2HG   LYS  65          1HG       LYS  65   9.343   1.917  -9.532
  498   1HD   LYS  65          2HD       LYS  65   6.809   3.554  -9.605
  499   2HD   LYS  65          1HD       LYS  65   8.352   4.123  -8.965
  500   1HE   LYS  65          2HE       LYS  65   9.389   3.939 -11.107
  501   2HE   LYS  65          1HE       LYS  65   7.986   3.107 -11.777
  502   1HZ   LYS  65          1HZ       LYS  65   6.865   5.026 -12.044
  503   2HZ   LYS  65          2HZ       LYS  65   8.411   5.708 -12.062
  504   3HZ   LYS  65          3HZ       LYS  65   7.491   5.737 -10.643
  505    H    VAL  66           H        VAL  66   9.361  -0.116 -11.789
  506    HA   VAL  66           HA       VAL  66  11.661  -1.231 -10.322
  507    HB   VAL  66           HB       VAL  66  11.353  -1.147 -13.322
  508   1HG1  VAL  66          1HG1      VAL  66  13.646  -1.279 -12.559
  509   2HG1  VAL  66          2HG1      VAL  66  13.160  -2.824 -13.258
  510   3HG1  VAL  66          3HG1      VAL  66  13.247  -2.635 -11.506
  511   1HG2  VAL  66          1HG2      VAL  66   9.849  -2.782 -13.109
  512   2HG2  VAL  66          2HG2      VAL  66  10.159  -2.949 -11.381
  513   3HG2  VAL  66          3HG2      VAL  66  11.177  -3.797 -12.546
  514    H    ASP  67           H        ASP  67  13.557  -0.107 -10.270
  515    HA   ASP  67           HA       ASP  67  13.445   2.693 -10.814
  516   1HB   ASP  67          2HB       ASP  67  15.718   0.909  -9.923
  517   2HB   ASP  67          1HB       ASP  67  15.834   2.662 -10.048
  518    H    GLU  68           H        GLU  68  12.916   2.077 -13.187
  519    HA   GLU  68           HA       GLU  68  15.282   2.671 -14.731
  520   1HB   GLU  68          2HB       GLU  68  13.755   0.095 -15.096
  521   2HB   GLU  68          1HB       GLU  68  14.788   0.776 -16.345
  522   1HG   GLU  68          2HG       GLU  68  16.698   0.654 -14.804
  523   2HG   GLU  68          1HG       GLU  68  15.650  -0.085 -13.594
  524    H    SER  69           H        SER  69  13.073   4.234 -14.217
  525    HA   SER  69           HA       SER  69  10.985   4.084 -16.062
  526   1HB   SER  69          2HB       SER  69  10.538   6.405 -15.529
  527   2HB   SER  69          1HB       SER  69  11.025   5.567 -14.056
  528    HG   SER  69           HG       SER  69  12.310   7.271 -13.977
  529    H    LYS  70           H        LYS  70  14.256   5.093 -16.448
  530    HA   LYS  70           HA       LYS  70  14.016   6.749 -18.700
  531   1HB   LYS  70          2HB       LYS  70  16.278   4.931 -17.857
  532   2HB   LYS  70          1HB       LYS  70  16.397   6.137 -19.132
  533   1HG   LYS  70          2HG       LYS  70  15.856   7.888 -17.471
  534   2HG   LYS  70          1HG       LYS  70  15.874   6.650 -16.212
  535   1HD   LYS  70          2HD       LYS  70  18.219   6.125 -16.830
  536   2HD   LYS  70          1HD       LYS  70  18.181   7.464 -17.979
  537   1HE   LYS  70          2HE       LYS  70  19.211   8.284 -16.005
  538   2HE   LYS  70          1HE       LYS  70  17.586   8.963 -16.052
  539   1HZ   LYS  70          1HZ       LYS  70  17.548   8.231 -13.940
  540   2HZ   LYS  70          2HZ       LYS  70  18.746   7.062 -14.190
  541   3HZ   LYS  70          3HZ       LYS  70  17.150   6.747 -14.652
  542    H    LYS  71           H        LYS  71  14.140   3.257 -18.365
  543    HA   LYS  71           HA       LYS  71  13.885   2.988 -21.284
  544   1HB   LYS  71          2HB       LYS  71  14.653   0.872 -19.266
  545   2HB   LYS  71          1HB       LYS  71  14.643   0.690 -21.015
  546   1HG   LYS  71          2HG       LYS  71  16.414   2.574 -19.471
  547   2HG   LYS  71          1HG       LYS  71  16.899   1.008 -20.124
  548   1HD   LYS  71          2HD       LYS  71  16.299   1.836 -22.392
  549   2HD   LYS  71          1HD       LYS  71  15.989   3.423 -21.685
  550   1HE   LYS  71          2HE       LYS  71  18.469   2.895 -20.721
  551   2HE   LYS  71          1HE       LYS  71  18.534   2.075 -22.279
  552   1HZ   LYS  71          1HZ       LYS  71  17.419   4.759 -22.288
  553   2HZ   LYS  71          2HZ       LYS  71  18.450   4.012 -23.401
  554   3HZ   LYS  71          3HZ       LYS  71  19.077   4.649 -21.965
  555    H    ARG  72           H        ARG  72  12.176   1.913 -22.177
  556    HA   ARG  72           HA       ARG  72  10.024   1.142 -20.319
  557   1HB   ARG  72          2HB       ARG  72   9.851   2.252 -23.125
  558   2HB   ARG  72          1HB       ARG  72   8.473   1.655 -22.211
  559   1HG   ARG  72          2HG       ARG  72   8.935   3.367 -20.483
  560   2HG   ARG  72          1HG       ARG  72  10.219   4.004 -21.511
  561   1HD   ARG  72          2HD       ARG  72   8.507   4.322 -23.307
  562   2HD   ARG  72          1HD       ARG  72   7.272   3.880 -22.128
  563    HE   ARG  72           HE       ARG  72   8.923   5.995 -21.176
  564   1HH1  ARG  72          1HH1      ARG  72   6.253   5.295 -23.312
  565   2HH1  ARG  72          2HH1      ARG  72   5.585   6.888 -23.203
  566   1HH2  ARG  72          1HH2      ARG  72   8.045   8.091 -21.030
  567   2HH2  ARG  72          2HH2      ARG  72   6.602   8.476 -21.908
  568    H    LYS  73           H        LYS  73   9.419  -0.914 -20.315
  569    HA   LYS  73           HA       LYS  73  10.646  -2.810 -22.067
  570   1HB   LYS  73          2HB       LYS  73   8.459  -3.126 -20.005
  571   2HB   LYS  73          1HB       LYS  73   9.223  -4.463 -20.854
  572   1HG   LYS  73          2HG       LYS  73  11.400  -3.757 -19.900
  573   2HG   LYS  73          1HG       LYS  73  10.543  -2.533 -18.960
  574   1HD   LYS  73          2HD       LYS  73   9.194  -4.337 -17.927
  575   2HD   LYS  73          1HD       LYS  73  10.162  -5.523 -18.806
  576   1HE   LYS  73          2HE       LYS  73  11.254  -5.490 -16.787
  577   2HE   LYS  73          1HE       LYS  73  12.164  -4.268 -17.672
  578   1HZ   LYS  73          1HZ       LYS  73  10.691  -2.582 -16.633
  579   2HZ   LYS  73          2HZ       LYS  73  11.659  -3.414 -15.525
  580   3HZ   LYS  73          3HZ       LYS  73  10.021  -3.804 -15.674
  581    H    ASP  74           H        ASP  74   9.350  -4.468 -23.254
  582    HA   ASP  74           HA       ASP  74   7.127  -3.157 -24.670
  583   1HB   ASP  74          2HB       ASP  74   9.080  -5.260 -25.623
  584   2HB   ASP  74          1HB       ASP  74   7.699  -4.695 -26.557
  585    H    ASN  75           H        ASN  75   5.856  -5.091 -25.909
  586    HA   ASN  75           HA       ASN  75   5.062  -6.992 -23.800
  587   1HB   ASN  75          2HB       ASN  75   3.307  -5.624 -25.846
  588   2HB   ASN  75          1HB       ASN  75   2.762  -6.852 -24.705
  589   1HD2  ASN  75          1HD2      ASN  75   2.109  -3.947 -25.126
  590   2HD2  ASN  75          2HD2      ASN  75   2.279  -3.238 -23.560
  591    H    GLU  76           H        GLU  76   6.571  -6.818 -26.691
  592    HA   GLU  76           HA       GLU  76   5.302  -9.081 -27.975
  593   1HB   GLU  76          2HB       GLU  76   7.707  -7.397 -28.666
  594   2HB   GLU  76          1HB       GLU  76   7.237  -8.808 -29.605
  595   1HG   GLU  76          2HG       GLU  76   6.281  -7.055 -30.766
  596   2HG   GLU  76          1HG       GLU  76   4.945  -7.658 -29.787
  597    H    GLY  77           H        GLY  77   5.896 -10.088 -25.660
  598   1HA   GLY  77          2HA       GLY  77   6.872 -12.076 -24.924
  599   2HA   GLY  77          1HA       GLY  77   8.021 -11.975 -26.249
  600    H    ASN  78           H        ASN  78   7.692  -9.103 -24.421
  601    HA   ASN  78           HA       ASN  78  10.393  -9.356 -23.458
  602   1HB   ASN  78          2HB       ASN  78   8.354  -7.204 -23.599
  603   2HB   ASN  78          1HB       ASN  78   9.556  -7.066 -22.321
  604   1HD2  ASN  78          1HD2      ASN  78   9.923  -8.424 -25.553
  605   2HD2  ASN  78          2HD2      ASN  78  11.111  -7.290 -26.089
  606    H    GLU  79           H        GLU  79  11.013 -10.078 -21.532
  607    HA   GLU  79           HA       GLU  79   8.959 -10.575 -19.500
  608   1HB   GLU  79          2HB       GLU  79  10.532 -12.143 -18.515
  609   2HB   GLU  79          1HB       GLU  79  10.332 -12.491 -20.227
  610   1HG   GLU  79          2HG       GLU  79  12.437 -11.266 -20.674
  611   2HG   GLU  79          1HG       GLU  79  12.648 -11.070 -18.934
  612    H    VAL  80           H        VAL  80   9.517 -10.209 -17.230
  613    HA   VAL  80           HA       VAL  80  11.268  -7.857 -16.909
  614    HB   VAL  80           HB       VAL  80   8.856  -8.521 -15.219
  615   1HG1  VAL  80          1HG1      VAL  80   9.343  -6.720 -13.969
  616   2HG1  VAL  80          2HG1      VAL  80   9.875  -5.773 -15.359
  617   3HG1  VAL  80          3HG1      VAL  80  10.974  -6.932 -14.609
  618   1HG2  VAL  80          1HG2      VAL  80   7.897  -6.475 -16.437
  619   2HG2  VAL  80          2HG2      VAL  80   7.919  -8.015 -17.298
  620   3HG2  VAL  80          3HG2      VAL  80   9.137  -6.790 -17.652
  621    H    VAL  81           H        VAL  81  12.818  -7.920 -15.384
  622    HA   VAL  81           HA       VAL  81  13.210 -10.428 -13.961
  623    HB   VAL  81           HB       VAL  81  15.412  -9.470 -13.336
  624   1HG1  VAL  81          1HG1      VAL  81  16.411  -9.713 -15.478
  625   2HG1  VAL  81          2HG1      VAL  81  14.925  -9.229 -16.296
  626   3HG1  VAL  81          3HG1      VAL  81  15.000 -10.772 -15.447
  627   1HG2  VAL  81          1HG2      VAL  81  14.910  -7.210 -15.224
  628   2HG2  VAL  81          2HG2      VAL  81  16.126  -7.362 -13.956
  629   3HG2  VAL  81          3HG2      VAL  81  14.440  -7.065 -13.531
  630    HA   PRO  82           HA       PRO  82  11.947  -9.311  -9.900
  631   1HB   PRO  82          2HB       PRO  82  14.744  -9.801  -8.990
  632   2HB   PRO  82          1HB       PRO  82  13.228 -10.465  -8.373
  633   1HG   PRO  82          2HG       PRO  82  14.841 -11.949  -9.879
  634   2HG   PRO  82          1HG       PRO  82  13.080 -12.049 -10.062
  635   1HD   PRO  82          2HD       PRO  82  15.096 -10.705 -11.804
  636   2HD   PRO  82          1HD       PRO  82  13.598 -11.548 -12.251
  637    H    LYS  83           H        LYS  83  11.729  -7.432  -8.828
  638    HA   LYS  83           HA       LYS  83  13.773  -5.682  -8.093
  639   1HB   LYS  83          2HB       LYS  83  12.820  -5.357 -10.838
  640   2HB   LYS  83          1HB       LYS  83  12.684  -3.884  -9.889
  641   1HG   LYS  83          2HG       LYS  83  15.247  -5.302  -9.644
  642   2HG   LYS  83          1HG       LYS  83  14.897  -4.627 -11.236
  643   1HD   LYS  83          2HD       LYS  83  15.087  -2.496 -10.515
  644   2HD   LYS  83          1HD       LYS  83  14.330  -2.847  -8.960
  645   1HE   LYS  83          2HE       LYS  83  16.544  -2.294  -8.431
  646   2HE   LYS  83          1HE       LYS  83  16.497  -4.055  -8.370
  647   1HZ   LYS  83          1HZ       LYS  83  17.246  -2.779 -10.897
  648   2HZ   LYS  83          2HZ       LYS  83  17.763  -4.247 -10.236
  649   3HZ   LYS  83          3HZ       LYS  83  18.385  -2.788  -9.644
  650    HA   PRO  84           HA       PRO  84   9.574  -3.370  -7.540
  651   1HB   PRO  84          2HB       PRO  84   7.355  -4.490  -8.644
  652   2HB   PRO  84          1HB       PRO  84   8.361  -3.307  -9.485
  653   1HG   PRO  84          2HG       PRO  84   8.337  -6.289  -9.730
  654   2HG   PRO  84          1HG       PRO  84   8.447  -5.062 -11.006
  655   1HD   PRO  84          2HD       PRO  84  10.610  -6.401 -10.096
  656   2HD   PRO  84          1HD       PRO  84  10.701  -4.719 -10.657
  657    H    GLN  85           H        GLN  85   8.558  -3.611  -5.634
  658    HA   GLN  85           HA       GLN  85   8.261  -6.333  -4.587
  659   1HB   GLN  85          2HB       GLN  85   8.277  -3.670  -3.153
  660   2HB   GLN  85          1HB       GLN  85   8.133  -5.239  -2.373
  661   1HG   GLN  85          2HG       GLN  85  10.352  -5.846  -3.277
  662   2HG   GLN  85          1HG       GLN  85  10.494  -4.215  -3.930
  663   1HE2  GLN  85          1HE2      GLN  85  11.140  -2.598  -2.632
  664   2HE2  GLN  85          2HE2      GLN  85  11.501  -2.773  -0.951
  665    H    ARG  86           H        ARG  86   6.351  -7.002  -3.542
  666    HA   ARG  86           HA       ARG  86   3.967  -5.447  -4.305
  667   1HB   ARG  86          2HB       ARG  86   4.293  -8.437  -4.008
  668   2HB   ARG  86          1HB       ARG  86   2.764  -7.626  -4.322
  669   1HG   ARG  86          2HG       ARG  86   3.705  -6.744  -6.428
  670   2HG   ARG  86          1HG       ARG  86   5.178  -7.668  -6.121
  671   1HD   ARG  86          2HD       ARG  86   3.754  -9.729  -6.034
  672   2HD   ARG  86          1HD       ARG  86   2.399  -8.741  -6.578
  673    HE   ARG  86           HE       ARG  86   3.281  -8.749  -8.693
  674   1HH1  ARG  86          1HH1      ARG  86   5.709  -9.860  -6.444
  675   2HH1  ARG  86          2HH1      ARG  86   6.816 -10.345  -7.686
  676   1HH2  ARG  86          1HH2      ARG  86   4.735  -9.386 -10.326
  677   2HH2  ARG  86          2HH2      ARG  86   6.263 -10.076  -9.889
  678    H    HIS  87           H        HIS  87   2.507  -4.926  -2.781
  679    HA   HIS  87           HA       HIS  87   2.979  -5.937  -0.053
  680   1HB   HIS  87          2HB       HIS  87   2.195  -3.220  -1.061
  681   2HB   HIS  87          1HB       HIS  87   1.765  -3.718   0.571
  682    HD1  HIS  87           HD1      HIS  87   3.449  -3.162   2.290
  683    HD2  HIS  87           HD2      HIS  87   5.149  -3.494  -1.487
  684    HE1  HIS  87           HE1      HIS  87   5.870  -2.551   2.588
  685    HE2  HIS  87           HE2      HIS  87   6.898  -2.843   0.306
  686    H    MET  88           H        MET  88   1.447  -7.293   0.588
  687    HA   MET  88           HA       MET  88  -1.241  -7.052  -0.564
  688   1HB   MET  88          2HB       MET  88   0.105  -9.329   0.899
  689   2HB   MET  88          1HB       MET  88  -1.572  -9.353   0.370
  690   1HG   MET  88          2HG       MET  88  -0.787  -9.036  -1.959
  691   2HG   MET  88          1HG       MET  88   0.871  -9.173  -1.375
  692   1HE   MET  88          1HE       MET  88   1.556 -10.975   0.182
  693   2HE   MET  88          2HE       MET  88   1.381 -12.660  -0.309
  694   3HE   MET  88          3HE       MET  88   0.277 -11.969   0.880
  695    H    PHE  89           H        PHE  89  -2.637  -5.917   0.600
  696    HA   PHE  89           HA       PHE  89  -2.376  -5.895   3.522
  697   1HB   PHE  89          2HB       PHE  89  -3.704  -4.015   1.579
  698   2HB   PHE  89          1HB       PHE  89  -4.013  -3.938   3.312
  699    HD1  PHE  89           HD1      PHE  89  -1.949  -3.719   4.839
  700    HD2  PHE  89           HD2      PHE  89  -1.926  -2.857   0.673
  701    HE1  PHE  89           HE1      PHE  89   0.062  -2.329   5.140
  702    HE2  PHE  89           HE2      PHE  89   0.085  -1.470   0.964
  703    HZ   PHE  89           HZ       PHE  89   1.082  -1.205   3.201
  704    H    SER  90           H        SER  90  -4.046  -6.441   4.866
  705    HA   SER  90           HA       SER  90  -6.353  -7.751   3.579
  706   1HB   SER  90          2HB       SER  90  -4.500  -8.875   5.305
  707   2HB   SER  90          1HB       SER  90  -5.863  -8.507   6.361
  708    HG   SER  90           HG       SER  90  -6.857 -10.139   5.518
  709    H    PHE  91           H        PHE  91  -8.295  -6.890   3.953
  710    HA   PHE  91           HA       PHE  91  -8.520  -4.876   6.068
  711   1HB   PHE  91          2HB       PHE  91  -9.896  -5.289   3.444
  712   2HB   PHE  91          1HB       PHE  91 -10.701  -4.369   4.712
  713    HD1  PHE  91           HD1      PHE  91 -10.064  -2.174   5.224
  714    HD2  PHE  91           HD2      PHE  91  -7.709  -4.520   2.573
  715    HE1  PHE  91           HE1      PHE  91  -8.778  -0.165   4.590
  716    HE2  PHE  91           HE2      PHE  91  -6.422  -2.530   1.932
  717    HZ   PHE  91           HZ       PHE  91  -6.954  -0.343   2.942
  718    H    ASN  92           H        ASN  92 -10.037  -4.958   7.621
  719    HA   ASN  92           HA       ASN  92 -11.513  -7.476   7.876
  720   1HB   ASN  92          2HB       ASN  92 -10.802  -5.349   9.908
  721   2HB   ASN  92          1HB       ASN  92 -11.814  -6.747  10.261
  722   1HD2  ASN  92          1HD2      ASN  92 -10.613  -8.797   9.087
  723   2HD2  ASN  92          2HD2      ASN  92  -9.015  -9.028   9.699
  724    H    ASN  93           H        ASN  93 -12.108  -4.702   6.431
  725    HA   ASN  93           HA       ASN  93 -14.936  -4.845   6.964
  726   1HB   ASN  93          2HB       ASN  93 -13.633  -3.070   8.492
  727   2HB   ASN  93          1HB       ASN  93 -13.881  -2.078   7.059
  728   1HD2  ASN  93          1HD2      ASN  93 -15.642  -0.906   7.111
  729   2HD2  ASN  93          2HD2      ASN  93 -17.115  -1.303   7.923
  730    H    ARG  94           H        ARG  94 -16.013  -4.700   5.121
  731    HA   ARG  94           HA       ARG  94 -14.750  -4.289   2.653
  732   1HB   ARG  94          2HB       ARG  94 -16.899  -5.546   3.068
  733   2HB   ARG  94          1HB       ARG  94 -17.706  -3.989   3.195
  734   1HG   ARG  94          2HG       ARG  94 -16.103  -4.255   0.777
  735   2HG   ARG  94          1HG       ARG  94 -17.390  -5.456   0.903
  736   1HD   ARG  94          2HD       ARG  94 -17.731  -2.468   1.146
  737   2HD   ARG  94          1HD       ARG  94 -18.144  -3.441  -0.265
  738    HE   ARG  94           HE       ARG  94 -19.454  -4.360   2.098
  739   1HH1  ARG  94          1HH1      ARG  94 -19.588  -1.955  -0.427
  740   2HH1  ARG  94          2HH1      ARG  94 -21.299  -1.726  -0.291
  741   1HH2  ARG  94          1HH2      ARG  94 -21.705  -4.061   2.278
  742   2HH2  ARG  94          2HH2      ARG  94 -22.501  -2.922   1.245
  743    H    THR  95           H        THR  95 -16.724  -2.113   4.647
  744    HA   THR  95           HA       THR  95 -16.814   0.013   2.845
  745    HB   THR  95           HB       THR  95 -16.784   0.588   5.736
  746    HG1  THR  95           HG1      THR  95 -18.736  -0.505   6.063
  747   1HG2  THR  95          1HG2      THR  95 -18.906   1.023   3.670
  748   2HG2  THR  95          2HG2      THR  95 -17.638   2.184   4.058
  749   3HG2  THR  95          3HG2      THR  95 -18.828   1.734   5.280
  750    H    VAL  96           H        VAL  96 -14.588  -0.811   5.421
  751    HA   VAL  96           HA       VAL  96 -13.020   1.540   5.205
  752    HB   VAL  96           HB       VAL  96 -12.260  -1.131   6.387
  753   1HG1  VAL  96          1HG1      VAL  96 -10.265   0.099   5.984
  754   2HG1  VAL  96          2HG1      VAL  96 -10.633   0.267   7.701
  755   3HG1  VAL  96          3HG1      VAL  96 -10.986   1.590   6.590
  756   1HG2  VAL  96          1HG2      VAL  96 -12.873   1.105   8.177
  757   2HG2  VAL  96          2HG2      VAL  96 -13.346  -0.591   8.275
  758   3HG2  VAL  96          3HG2      VAL  96 -14.251   0.519   7.246
  759    H    MET  97           H        MET  97 -12.965  -1.585   3.691
  760    HA   MET  97           HA       MET  97 -10.375  -1.238   2.503
  761   1HB   MET  97          2HB       MET  97 -10.576  -3.381   1.754
  762   2HB   MET  97          1HB       MET  97 -11.771  -3.435   3.038
  763   1HG   MET  97          2HG       MET  97 -13.049  -4.336   1.432
  764   2HG   MET  97          1HG       MET  97 -13.331  -2.654   0.998
  765   1HE   MET  97          1HE       MET  97 -11.694  -6.058  -0.074
  766   2HE   MET  97          2HE       MET  97 -12.046  -5.777  -1.779
  767   3HE   MET  97          3HE       MET  97 -13.331  -5.637  -0.579
  768    H    ASP  98           H        ASP  98 -13.683  -0.589   1.592
  769    HA   ASP  98           HA       ASP  98 -13.030  -0.048  -1.149
  770   1HB   ASP  98          2HB       ASP  98 -15.553   0.393   0.447
  771   2HB   ASP  98          1HB       ASP  98 -15.407   0.748  -1.272
  772    H    ASN  99           H        ASN  99 -13.262   1.712   1.808
  773    HA   ASN  99           HA       ASN  99 -13.474   4.298   0.636
  774   1HB   ASN  99          2HB       ASN  99 -12.755   3.365   3.409
  775   2HB   ASN  99          1HB       ASN  99 -12.806   5.068   2.965
  776   1HD2  ASN  99          1HD2      ASN  99 -14.393   4.038   4.960
  777   2HD2  ASN  99          2HD2      ASN  99 -16.045   4.086   4.458
  778    H    ILE 100           H        ILE 100 -10.882   2.193   1.546
  779    HA   ILE 100           HA       ILE 100  -8.843   4.229   1.231
  780    HB   ILE 100           HB       ILE 100  -8.589   1.253   1.687
  781   1HG1  ILE 100          2HG1      ILE 100  -9.651   2.611   3.527
  782   2HG1  ILE 100          1HG1      ILE 100  -8.175   1.771   3.986
  783   1HG2  ILE 100          1HG2      ILE 100  -6.253   1.718   2.248
  784   2HG2  ILE 100          2HG2      ILE 100  -6.485   3.410   1.803
  785   3HG2  ILE 100          3HG2      ILE 100  -6.621   2.148   0.577
  786   1HD1  ILE 100          1HD1      ILE 100  -6.954   3.725   4.122
  787   2HD1  ILE 100          2HD1      ILE 100  -8.535   4.210   4.737
  788   3HD1  ILE 100          3HD1      ILE 100  -8.069   4.615   3.084
  789    H    LYS 101           H        LYS 101 -10.000   1.368  -0.489
  790    HA   LYS 101           HA       LYS 101  -8.102   1.132  -2.466
  791   1HB   LYS 101          2HB       LYS 101 -10.061  -0.385  -2.066
  792   2HB   LYS 101          1HB       LYS 101 -11.072   0.792  -2.892
  793   1HG   LYS 101          2HG       LYS 101  -9.340   0.511  -4.819
  794   2HG   LYS 101          1HG       LYS 101  -8.970  -1.008  -3.999
  795   1HD   LYS 101          2HD       LYS 101 -11.695  -0.138  -4.961
  796   2HD   LYS 101          1HD       LYS 101 -10.652  -1.319  -5.754
  797   1HE   LYS 101          2HE       LYS 101 -11.498  -2.925  -4.477
  798   2HE   LYS 101          1HE       LYS 101 -10.923  -2.086  -3.036
  799   1HZ   LYS 101          1HZ       LYS 101 -13.115  -2.058  -2.576
  800   2HZ   LYS 101          2HZ       LYS 101 -13.589  -2.170  -4.196
  801   3HZ   LYS 101          3HZ       LYS 101 -13.105  -0.679  -3.557
  802    H    MET 102           H        MET 102 -10.904   3.305  -2.396
  803    HA   MET 102           HA       MET 102 -10.509   4.326  -5.004
  804   1HB   MET 102          2HB       MET 102 -11.998   5.452  -2.638
  805   2HB   MET 102          1HB       MET 102 -12.033   6.167  -4.243
  806   1HG   MET 102          2HG       MET 102 -12.961   4.052  -5.121
  807   2HG   MET 102          1HG       MET 102 -13.019   3.432  -3.472
  808   1HE   MET 102          1HE       MET 102 -15.629   3.459  -5.305
  809   2HE   MET 102          2HE       MET 102 -16.795   4.023  -4.107
  810   3HE   MET 102          3HE       MET 102 -15.537   2.879  -3.642
  811    H    THR 103           H        THR 103  -9.606   5.539  -1.823
  812    HA   THR 103           HA       THR 103  -8.479   7.944  -2.618
  813    HB   THR 103           HB       THR 103  -7.268   6.463  -0.359
  814    HG1  THR 103           HG1      THR 103  -9.983   7.260  -0.342
  815   1HG2  THR 103          1HG2      THR 103  -6.913   8.881  -0.713
  816   2HG2  THR 103          2HG2      THR 103  -7.637   8.486   0.846
  817   3HG2  THR 103          3HG2      THR 103  -8.640   9.120  -0.458
  818    H    LEU 104           H        LEU 104  -7.043   4.726  -2.255
  819    HA   LEU 104           HA       LEU 104  -4.392   5.500  -2.824
  820   1HB   LEU 104          2HB       LEU 104  -5.756   2.834  -3.222
  821   2HB   LEU 104          1HB       LEU 104  -4.025   3.094  -3.308
  822    HG   LEU 104           HG       LEU 104  -5.688   3.592  -0.839
  823   1HD1  LEU 104          1HD1      LEU 104  -4.749   1.524   0.021
  824   2HD1  LEU 104          2HD1      LEU 104  -3.917   1.246  -1.509
  825   3HD1  LEU 104          3HD1      LEU 104  -5.679   1.218  -1.446
  826   1HD2  LEU 104          1HD2      LEU 104  -3.263   4.636  -1.447
  827   2HD2  LEU 104          2HD2      LEU 104  -2.792   3.129  -0.665
  828   3HD2  LEU 104          3HD2      LEU 104  -3.813   4.284   0.190
  829    H    GLN 105           H        GLN 105  -7.089   4.513  -4.867
  830    HA   GLN 105           HA       GLN 105  -5.591   4.305  -7.262
  831   1HB   GLN 105          2HB       GLN 105  -8.524   4.668  -6.696
  832   2HB   GLN 105          1HB       GLN 105  -7.901   4.626  -8.339
  833   1HG   GLN 105          2HG       GLN 105  -6.984   2.395  -7.928
  834   2HG   GLN 105          1HG       GLN 105  -7.632   2.438  -6.290
  835   1HE2  GLN 105          1HE2      GLN 105  -8.154   0.728  -8.713
  836   2HE2  GLN 105          2HE2      GLN 105  -9.872   0.745  -8.888
  837    H    GLN 106           H        GLN 106  -7.159   6.942  -5.620
  838    HA   GLN 106           HA       GLN 106  -7.065   8.792  -7.758
  839   1HB   GLN 106          2HB       GLN 106  -7.214   9.176  -4.766
  840   2HB   GLN 106          1HB       GLN 106  -7.267  10.513  -5.906
  841   1HG   GLN 106          2HG       GLN 106  -9.223   8.227  -5.806
  842   2HG   GLN 106          1HG       GLN 106  -9.494   9.842  -5.152
  843   1HE2  GLN 106          1HE2      GLN 106 -10.180   7.908  -7.668
  844   2HE2  GLN 106          2HE2      GLN 106 -10.441   9.089  -8.902
  845    H    ILE 107           H        ILE 107  -4.831   7.975  -5.151
  846    HA   ILE 107           HA       ILE 107  -2.969  10.028  -5.562
  847    HB   ILE 107           HB       ILE 107  -2.514   7.201  -4.597
  848   1HG1  ILE 107          2HG1      ILE 107  -2.695   9.732  -2.965
  849   2HG1  ILE 107          1HG1      ILE 107  -4.102   8.736  -3.318
  850   1HG2  ILE 107          1HG2      ILE 107  -0.340   7.614  -4.527
  851   2HG2  ILE 107          2HG2      ILE 107  -0.618   9.063  -3.563
  852   3HG2  ILE 107          3HG2      ILE 107  -0.619   9.161  -5.323
  853   1HD1  ILE 107          1HD1      ILE 107  -2.109   7.014  -2.327
  854   2HD1  ILE 107          2HD1      ILE 107  -3.622   7.495  -1.560
  855   3HD1  ILE 107          3HD1      ILE 107  -2.152   8.428  -1.273
  856    H    ILE 108           H        ILE 108  -3.297   6.832  -7.016
  857    HA   ILE 108           HA       ILE 108  -1.003   6.699  -8.565
  858    HB   ILE 108           HB       ILE 108  -3.676   5.841  -9.628
  859   1HG1  ILE 108          2HG1      ILE 108  -3.812   4.990  -7.456
  860   2HG1  ILE 108          1HG1      ILE 108  -3.176   3.648  -8.395
  861   1HG2  ILE 108          1HG2      ILE 108  -0.842   5.016 -10.026
  862   2HG2  ILE 108          2HG2      ILE 108  -2.092   5.384 -11.215
  863   3HG2  ILE 108          3HG2      ILE 108  -2.145   3.865 -10.320
  864   1HD1  ILE 108          1HD1      ILE 108  -1.559   3.485  -6.897
  865   2HD1  ILE 108          2HD1      ILE 108  -2.053   4.991  -6.122
  866   3HD1  ILE 108          3HD1      ILE 108  -0.937   5.027  -7.486
  867    H    SER 109           H        SER 109  -4.149   7.953  -9.416
  868    HA   SER 109           HA       SER 109  -3.603   8.871 -11.977
  869   1HB   SER 109          2HB       SER 109  -5.504  10.127  -9.990
  870   2HB   SER 109          1HB       SER 109  -5.561  10.308 -11.743
  871    HG   SER 109           HG       SER 109  -5.874   8.000 -11.833
  872    H    ARG 110           H        ARG 110  -2.878  10.315  -8.905
  873    HA   ARG 110           HA       ARG 110  -2.255  12.896  -9.908
  874   1HB   ARG 110          2HB       ARG 110  -1.496  11.547  -7.319
  875   2HB   ARG 110          1HB       ARG 110  -1.173  13.235  -7.683
  876   1HG   ARG 110          2HG       ARG 110  -3.619  13.580  -7.965
  877   2HG   ARG 110          1HG       ARG 110  -3.865  11.920  -7.415
  878   1HD   ARG 110          2HD       ARG 110  -2.628  12.522  -5.324
  879   2HD   ARG 110          1HD       ARG 110  -2.638  14.198  -5.871
  880    HE   ARG 110           HE       ARG 110  -5.244  12.986  -5.787
  881   1HH1  ARG 110          1HH1      ARG 110  -2.822  14.702  -3.951
  882   2HH1  ARG 110          2HH1      ARG 110  -3.956  15.325  -2.801
  883   1HH2  ARG 110          1HH2      ARG 110  -6.738  13.806  -4.275
  884   2HH2  ARG 110          2HH2      ARG 110  -6.178  14.817  -2.984
  885    H    TYR 111           H        TYR 111  -0.473   9.955  -9.422
  886    HA   TYR 111           HA       TYR 111   2.111  11.113  -9.795
  887   1HB   TYR 111          2HB       TYR 111   1.033   8.333  -9.634
  888   2HB   TYR 111          1HB       TYR 111   2.644   8.576 -10.299
  889    HD1  TYR 111           HD1      TYR 111   4.410   9.630  -8.878
  890    HD2  TYR 111           HD2      TYR 111   0.631   8.477  -7.300
  891    HE1  TYR 111           HE1      TYR 111   5.340   9.722  -6.604
  892    HE2  TYR 111           HE2      TYR 111   1.550   8.568  -5.021
  893    HH   TYR 111           HH       TYR 111   3.549   9.866  -3.890
  894    H    LYS 112           H        LYS 112  -0.313   9.729 -11.852
  895    HA   LYS 112           HA       LYS 112   1.328   9.491 -14.165
  896   1HB   LYS 112          2HB       LYS 112  -1.657   9.463 -13.753
  897   2HB   LYS 112          1HB       LYS 112  -0.922   9.295 -15.341
  898   1HG   LYS 112          2HG       LYS 112  -0.308   7.171 -14.976
  899   2HG   LYS 112          1HG       LYS 112   0.151   7.483 -13.301
  900   1HD   LYS 112          2HD       LYS 112  -1.702   5.991 -13.251
  901   2HD   LYS 112          1HD       LYS 112  -2.302   7.574 -12.754
  902   1HE   LYS 112          2HE       LYS 112  -3.740   6.286 -14.394
  903   2HE   LYS 112          1HE       LYS 112  -3.342   7.947 -14.834
  904   1HZ   LYS 112          1HZ       LYS 112  -1.848   7.247 -16.444
  905   2HZ   LYS 112          2HZ       LYS 112  -3.116   6.138 -16.605
  906   3HZ   LYS 112          3HZ       LYS 112  -1.701   5.690 -15.796
  907    H    ASP 113           H        ASP 113  -0.780  11.965 -12.841
  908    HA   ASP 113           HA       ASP 113  -0.972  13.621 -15.094
  909   1HB   ASP 113          2HB       ASP 113  -2.334  13.847 -13.010
  910   2HB   ASP 113          1HB       ASP 113  -0.913  14.499 -12.200
  911    H    ALA 114           H        ALA 114   1.470  13.411 -12.557
  912    HA   ALA 114           HA       ALA 114   2.938  15.706 -13.239
  913   1HB   ALA 114          1HB       ALA 114   4.520  14.984 -11.732
  914   2HB   ALA 114          2HB       ALA 114   4.308  13.285 -12.159
  915   3HB   ALA 114          3HB       ALA 114   3.094  14.107 -11.177
  916    H    ASP 115           H        ASP 115   2.960  12.441 -14.519
  917    HA   ASP 115           HA       ASP 115   4.845  13.337 -16.594
  918   1HB   ASP 115          2HB       ASP 115   4.799  10.657 -15.197
  919   2HB   ASP 115          1HB       ASP 115   5.742  11.000 -16.643
  Start of MODEL    3
    1    HT1  PRO   1           HT2      PRO   1 -14.715   9.764   8.343
    2    HT2  PRO   1           HT1      PRO   1 -15.043   9.282   6.739
    3    HA   PRO   1           HA       PRO   1 -12.956   8.568   8.412
    4   1HB   PRO   1          2HB       PRO   1 -13.592   6.007   7.531
    5   2HB   PRO   1          1HB       PRO   1 -13.731   6.597   9.192
    6   1HG   PRO   1          2HG       PRO   1 -15.832   6.317   7.099
    7   2HG   PRO   1          1HG       PRO   1 -15.961   6.119   8.855
    8   1HD   PRO   1          2HD       PRO   1 -16.894   8.314   7.557
    9   2HD   PRO   1          1HD       PRO   1 -16.260   8.385   9.213
   10    H    SER   2           H        SER   2 -12.283   9.937   6.559
   11    HA   SER   2           HA       SER   2 -11.830   8.309   4.144
   12   1HB   SER   2          2HB       SER   2 -12.152  11.316   4.308
   13   2HB   SER   2          1HB       SER   2 -11.817  10.397   2.840
   14    HG   SER   2           HG       SER   2 -13.927  10.390   2.720
   15    H    HIS   3           H        HIS   3  -9.808   8.473   3.131
   16    HA   HIS   3           HA       HIS   3  -7.541   8.621   3.047
   17   1HB   HIS   3          2HB       HIS   3  -8.266  11.176   4.446
   18   2HB   HIS   3          1HB       HIS   3  -6.575  10.736   4.229
   19    HD1  HIS   3           HD1      HIS   3  -9.565  11.951   2.385
   20    HD2  HIS   3           HD2      HIS   3  -5.665  10.781   1.553
   21    HE1  HIS   3           HE1      HIS   3  -9.122  12.714   0.031
   22    HE2  HIS   3           HE2      HIS   3  -6.727  12.073  -0.419
   23    H    SER   4           H        SER   4  -8.883   7.199   5.268
   24    HA   SER   4           HA       SER   4  -6.634   6.370   6.697
   25   1HB   SER   4          2HB       SER   4  -7.232   7.263   8.969
   26   2HB   SER   4          1HB       SER   4  -6.655   8.490   7.841
   27    HG   SER   4           HG       SER   4  -8.900   8.512   9.179
   28    H    GLY   5           H        GLY   5  -7.094   4.345   7.170
   29   1HA   GLY   5          2HA       GLY   5  -9.554   3.626   8.503
   30   2HA   GLY   5          1HA       GLY   5  -9.427   3.015   6.859
   31    H    ALA   6           H        ALA   6  -9.557   1.462   9.299
   32    HA   ALA   6           HA       ALA   6  -6.991   0.536  10.021
   33   1HB   ALA   6          1HB       ALA   6  -8.883   0.188  11.481
   34   2HB   ALA   6          2HB       ALA   6  -8.154  -1.358  11.044
   35   3HB   ALA   6          3HB       ALA   6  -9.654  -0.842  10.272
   36    H    ALA   7           H        ALA   7  -5.751  -1.086   9.282
   37    HA   ALA   7           HA       ALA   7  -6.731  -2.917   7.275
   38   1HB   ALA   7          1HB       ALA   7  -4.958  -2.342   5.648
   39   2HB   ALA   7          2HB       ALA   7  -4.545  -0.947   6.646
   40   3HB   ALA   7          3HB       ALA   7  -6.133  -1.048   5.884
   41    H    ILE   8           H        ILE   8  -5.440  -4.767   6.989
   42    HA   ILE   8           HA       ILE   8  -3.496  -5.198   9.133
   43    HB   ILE   8           HB       ILE   8  -4.616  -7.222   7.204
   44   1HG1  ILE   8          2HG1      ILE   8  -5.546  -6.795  10.033
   45   2HG1  ILE   8          1HG1      ILE   8  -6.334  -6.028   8.653
   46   1HG2  ILE   8          1HG2      ILE   8  -2.446  -7.606   8.608
   47   2HG2  ILE   8          2HG2      ILE   8  -3.665  -8.873   8.486
   48   3HG2  ILE   8          3HG2      ILE   8  -3.587  -7.861   9.928
   49   1HD1  ILE   8          1HD1      ILE   8  -5.871  -8.962   8.632
   50   2HD1  ILE   8          2HD1      ILE   8  -7.123  -8.005   7.833
   51   3HD1  ILE   8          3HD1      ILE   8  -7.208  -8.293   9.573
   52    H    PHE   9           H        PHE   9  -1.423  -5.832   8.795
   53    HA   PHE   9           HA       PHE   9  -0.467  -6.252   6.082
   54   1HB   PHE   9          2HB       PHE   9  -0.206  -3.838   6.396
   55   2HB   PHE   9          1HB       PHE   9   0.682  -4.114   7.887
   56    HD1  PHE   9           HD1      PHE   9   0.850  -5.425   4.397
   57    HD2  PHE   9           HD2      PHE   9   2.923  -3.726   7.698
   58    HE1  PHE   9           HE1      PHE   9   2.951  -5.520   3.119
   59    HE2  PHE   9           HE2      PHE   9   5.029  -3.816   6.430
   60    HZ   PHE   9           HZ       PHE   9   5.046  -4.714   4.136
   61    H    GLU  10           H        GLU  10   0.343  -8.218   6.331
   62    HA   GLU  10           HA       GLU  10   1.843  -9.828   6.904
   63   1HB   GLU  10          2HB       GLU  10   2.904  -7.943   9.004
   64   2HB   GLU  10          1HB       GLU  10   3.694  -9.375   8.368
   65   1HG   GLU  10          2HG       GLU  10   3.805  -8.285   6.154
   66   2HG   GLU  10          1HG       GLU  10   3.114  -6.831   6.872
   67    H    LYS  11           H        LYS  11  -0.668 -10.066   7.802
   68    HA   LYS  11           HA       LYS  11  -1.966 -11.175   9.262
   69   1HB   LYS  11          2HB       LYS  11   0.775 -12.062   9.955
   70   2HB   LYS  11          1HB       LYS  11  -0.551 -12.548  11.004
   71   1HG   LYS  11          2HG       LYS  11  -1.579 -13.786   9.324
   72   2HG   LYS  11          1HG       LYS  11  -0.693 -12.948   8.045
   73   1HD   LYS  11          2HD       LYS  11   0.234 -15.140   8.252
   74   2HD   LYS  11          1HD       LYS  11   1.401 -14.003   8.928
   75   1HE   LYS  11          2HE       LYS  11   1.416 -15.564  10.585
   76   2HE   LYS  11          1HE       LYS  11   0.089 -14.556  11.160
   77   1HZ   LYS  11          1HZ       LYS  11  -0.048 -17.177   9.806
   78   2HZ   LYS  11          2HZ       LYS  11  -1.382 -16.140   9.832
   79   3HZ   LYS  11          3HZ       LYS  11  -0.729 -16.712  11.284
   80    H    VAL  12           H        VAL  12  -0.661  -8.424  10.019
   81    HA   VAL  12           HA       VAL  12  -1.643  -8.490  12.765
   82    HB   VAL  12           HB       VAL  12   0.659  -6.837  11.729
   83   1HG1  VAL  12          1HG1      VAL  12   0.851  -5.925  13.958
   84   2HG1  VAL  12          2HG1      VAL  12  -0.513  -6.898  14.506
   85   3HG1  VAL  12          3HG1      VAL  12  -0.766  -5.608  13.332
   86   1HG2  VAL  12          1HG2      VAL  12   0.997  -9.316  12.293
   87   2HG2  VAL  12          2HG2      VAL  12   0.764  -8.823  13.970
   88   3HG2  VAL  12          3HG2      VAL  12   2.090  -8.143  13.027
   89    H    SER  13           H        SER  13  -3.050  -6.846  13.319
   90    HA   SER  13           HA       SER  13  -3.933  -5.205  11.054
   91   1HB   SER  13          2HB       SER  13  -5.462  -5.610  13.621
   92   2HB   SER  13          1HB       SER  13  -6.079  -5.128  12.041
   93    HG   SER  13           HG       SER  13  -5.246  -7.666  12.927
   94    H    GLY  14           H        GLY  14  -4.301  -3.048  11.206
   95   1HA   GLY  14          2HA       GLY  14  -3.886  -1.544  13.602
   96   2HA   GLY  14          1HA       GLY  14  -2.505  -1.451  12.514
   97    H    ILE  15           H        ILE  15  -3.495   0.903  12.879
   98    HA   ILE  15           HA       ILE  15  -5.621   1.416  10.958
   99    HB   ILE  15           HB       ILE  15  -4.217   3.240  12.903
  100   1HG1  ILE  15          2HG1      ILE  15  -6.372   1.401  13.131
  101   2HG1  ILE  15          1HG1      ILE  15  -5.761   2.514  14.353
  102   1HG2  ILE  15          1HG2      ILE  15  -5.952   4.910  12.264
  103   2HG2  ILE  15          2HG2      ILE  15  -6.406   3.859  10.923
  104   3HG2  ILE  15          3HG2      ILE  15  -4.789   4.563  10.984
  105   1HD1  ILE  15          1HD1      ILE  15  -7.967   3.005  12.371
  106   2HD1  ILE  15          2HD1      ILE  15  -7.283   4.252  13.414
  107   3HD1  ILE  15          3HD1      ILE  15  -8.102   2.861  14.123
  108    H    ILE  16           H        ILE  16  -5.309   2.103   8.983
  109    HA   ILE  16           HA       ILE  16  -2.592   2.802   8.141
  110    HB   ILE  16           HB       ILE  16  -4.824   1.333   6.946
  111   1HG1  ILE  16          2HG1      ILE  16  -1.853   1.529   6.445
  112   2HG1  ILE  16          1HG1      ILE  16  -2.726   0.270   7.305
  113   1HG2  ILE  16          1HG2      ILE  16  -5.182   3.235   5.552
  114   2HG2  ILE  16          2HG2      ILE  16  -4.288   2.058   4.594
  115   3HG2  ILE  16          3HG2      ILE  16  -3.453   3.447   5.285
  116   1HD1  ILE  16          1HD1      ILE  16  -3.772   0.423   4.675
  117   2HD1  ILE  16          2HD1      ILE  16  -2.896  -0.900   5.445
  118   3HD1  ILE  16          3HD1      ILE  16  -2.012   0.359   4.579
  119    H    ALA  17           H        ALA  17  -2.139   4.878   7.850
  120    HA   ALA  17           HA       ALA  17  -4.334   6.731   7.194
  121   1HB   ALA  17          1HB       ALA  17  -3.386   7.222   9.360
  122   2HB   ALA  17          2HB       ALA  17  -2.937   8.494   8.224
  123   3HB   ALA  17          3HB       ALA  17  -1.761   7.261   8.676
  124    H    ILE  18           H        ILE  18  -4.062   8.210   5.539
  125    HA   ILE  18           HA       ILE  18  -1.854   7.610   3.713
  126    HB   ILE  18           HB       ILE  18  -4.654   8.442   3.372
  127   1HG1  ILE  18          2HG1      ILE  18  -2.773   7.164   1.391
  128   2HG1  ILE  18          1HG1      ILE  18  -3.541   6.256   2.689
  129   1HG2  ILE  18          1HG2      ILE  18  -4.124   9.519   1.137
  130   2HG2  ILE  18          2HG2      ILE  18  -2.481   9.726   1.747
  131   3HG2  ILE  18          3HG2      ILE  18  -3.833  10.492   2.580
  132   1HD1  ILE  18          1HD1      ILE  18  -5.084   5.866   1.106
  133   2HD1  ILE  18          2HD1      ILE  18  -4.669   7.316   0.190
  134   3HD1  ILE  18          3HD1      ILE  18  -5.698   7.439   1.618
  135    H    ASN  19           H        ASN  19  -0.151   8.905   3.826
  136    HA   ASN  19           HA       ASN  19  -0.528  11.694   4.667
  137   1HB   ASN  19          2HB       ASN  19   1.947   9.957   4.614
  138   2HB   ASN  19          1HB       ASN  19   1.942  11.660   5.059
  139   1HD2  ASN  19          1HD2      ASN  19   2.889   9.812   6.801
  140   2HD2  ASN  19          2HD2      ASN  19   1.808   9.647   8.139
  141    H    GLU  20           H        GLU  20  -0.783  13.026   3.012
  142    HA   GLU  20           HA       GLU  20   0.822  12.590   0.586
  143   1HB   GLU  20          2HB       GLU  20  -1.760  14.120   0.946
  144   2HB   GLU  20          1HB       GLU  20  -0.862  14.006  -0.561
  145   1HG   GLU  20          2HG       GLU  20  -1.183  11.566  -0.537
  146   2HG   GLU  20          1HG       GLU  20  -2.147  11.729   0.930
  147    H    ASP  21           H        ASP  21   0.671  14.463   3.332
  148    HA   ASP  21           HA       ASP  21   1.219  17.044   2.417
  149   1HB   ASP  21          2HB       ASP  21   2.054  15.644   4.959
  150   2HB   ASP  21          1HB       ASP  21   2.278  17.367   4.670
  151    H    VAL  22           H        VAL  22   3.165  14.220   2.383
  152    HA   VAL  22           HA       VAL  22   5.605  15.762   2.086
  153    HB   VAL  22           HB       VAL  22   5.328  13.548   3.459
  154   1HG1  VAL  22          1HG1      VAL  22   6.368  12.191   1.055
  155   2HG1  VAL  22          2HG1      VAL  22   4.628  12.457   1.139
  156   3HG1  VAL  22          3HG1      VAL  22   5.442  11.551   2.413
  157   1HG2  VAL  22          1HG2      VAL  22   7.824  13.257   2.053
  158   2HG2  VAL  22          2HG2      VAL  22   7.518  13.768   3.712
  159   3HG2  VAL  22          3HG2      VAL  22   7.477  14.950   2.404
  160    H    SER  23           H        SER  23   6.982  13.977   0.398
  161    HA   SER  23           HA       SER  23   5.564  13.571  -2.035
  162   1HB   SER  23          2HB       SER  23   6.378  15.302  -3.386
  163   2HB   SER  23          1HB       SER  23   5.952  16.123  -1.885
  164    HG   SER  23           HG       SER  23   7.941  16.786  -1.915
  165    HA   PRO  24           HA       PRO  24   5.554  12.163  -3.415
  166   1HB   PRO  24          2HB       PRO  24   5.641   9.461  -3.489
  167   2HB   PRO  24          1HB       PRO  24   6.430  10.470  -4.708
  168   1HG   PRO  24          2HG       PRO  24   7.617   9.107  -2.322
  169   2HG   PRO  24          1HG       PRO  24   8.244   9.209  -3.978
  170   1HD   PRO  24          2HD       PRO  24   9.138  10.796  -1.968
  171   2HD   PRO  24          1HD       PRO  24   9.087  11.328  -3.661
  172    H    ALA  25           H        ALA  25   3.592  11.454  -2.558
  173    HA   ALA  25           HA       ALA  25   3.245  11.546   0.196
  174   1HB   ALA  25          1HB       ALA  25   1.387  11.971  -1.231
  175   2HB   ALA  25          2HB       ALA  25   0.987  10.545  -0.273
  176   3HB   ALA  25          3HB       ALA  25   1.493  10.365  -1.953
  177    H    GLU  26           H        GLU  26   2.570   9.881   1.704
  178    HA   GLU  26           HA       GLU  26   3.345   7.145   0.998
  179   1HB   GLU  26          2HB       GLU  26   4.412   8.651   3.391
  180   2HB   GLU  26          1HB       GLU  26   4.634   6.930   3.104
  181   1HG   GLU  26          2HG       GLU  26   5.840   7.462   1.024
  182   2HG   GLU  26          1HG       GLU  26   5.671   9.177   1.392
  183    H    LEU  27           H        LEU  27   2.415   5.522   2.292
  184    HA   LEU  27           HA       LEU  27   0.092   6.437   3.851
  185   1HB   LEU  27          2HB       LEU  27  -0.385   5.065   1.848
  186   2HB   LEU  27          1HB       LEU  27   0.570   3.763   2.530
  187    HG   LEU  27           HG       LEU  27  -1.769   4.839   4.057
  188   1HD1  LEU  27          1HD1      LEU  27  -3.097   2.987   2.953
  189   2HD1  LEU  27          2HD1      LEU  27  -1.848   2.967   1.708
  190   3HD1  LEU  27          3HD1      LEU  27  -2.799   4.427   1.979
  191   1HD2  LEU  27          1HD2      LEU  27  -1.810   2.324   4.632
  192   2HD2  LEU  27          2HD2      LEU  27  -0.548   3.334   5.336
  193   3HD2  LEU  27          3HD2      LEU  27  -0.182   2.301   3.953
  194    H    THR  28           H        THR  28   0.322   6.306   5.988
  195    HA   THR  28           HA       THR  28   2.364   4.670   7.164
  196    HB   THR  28           HB       THR  28   0.528   6.118   8.912
  197    HG1  THR  28           HG1      THR  28   1.912   7.499   6.871
  198   1HG2  THR  28          1HG2      THR  28   2.541   7.104   9.769
  199   2HG2  THR  28          2HG2      THR  28   3.457   6.461   8.407
  200   3HG2  THR  28          3HG2      THR  28   2.759   5.362   9.597
  201    H    TRP  29           H        TRP  29   2.025   3.066   8.692
  202    HA   TRP  29           HA       TRP  29  -0.710   2.101   9.079
  203   1HB   TRP  29          2HB       TRP  29   0.322   0.702   7.341
  204   2HB   TRP  29          1HB       TRP  29   1.686   0.374   8.410
  205    HD1  TRP  29           HD1      TRP  29  -2.135   0.144   8.979
  206    HE1  TRP  29           HE1      TRP  29  -2.665  -2.182   9.969
  207    HE3  TRP  29           HE3      TRP  29   2.590  -1.799   9.056
  208    HZ2  TRP  29           HZ2      TRP  29  -1.259  -4.497  10.685
  209    HZ3  TRP  29           HZ3      TRP  29   2.909  -4.086   9.917
  210    HH2  TRP  29           HH2      TRP  29   1.011  -5.411  10.711
  211    H    ARG  30           H        ARG  30  -1.051   2.324  11.195
  212    HA   ARG  30           HA       ARG  30   1.169   1.718  13.033
  213   1HB   ARG  30          2HB       ARG  30   0.121   3.961  13.241
  214   2HB   ARG  30          1HB       ARG  30  -1.417   3.190  13.599
  215   1HG   ARG  30          2HG       ARG  30  -0.436   2.185  15.609
  216   2HG   ARG  30          1HG       ARG  30   1.091   2.998  15.255
  217   1HD   ARG  30          2HD       ARG  30  -0.096   5.172  15.376
  218   2HD   ARG  30          1HD       ARG  30  -1.558   4.310  15.853
  219    HE   ARG  30           HE       ARG  30  -0.691   4.061  17.960
  220   1HH1  ARG  30          1HH1      ARG  30   1.852   5.071  15.794
  221   2HH1  ARG  30          2HH1      ARG  30   2.996   5.344  17.065
  222   1HH2  ARG  30          1HH2      ARG  30   0.812   4.421  19.633
  223   2HH2  ARG  30          2HH2      ARG  30   2.407   4.974  19.244
  224    H    SER  31           H        SER  31   1.086  -0.109  14.225
  225    HA   SER  31           HA       SER  31  -0.893  -2.037  13.828
  226   1HB   SER  31          2HB       SER  31   1.166  -2.894  14.519
  227   2HB   SER  31          1HB       SER  31   1.324  -1.724  15.830
  228    HG   SER  31           HG       SER  31  -0.264  -4.048  15.704
  229    H    THR  32           H        THR  32  -2.301  -2.998  15.461
  230    HA   THR  32           HA       THR  32  -4.098  -1.163  16.545
  231    HB   THR  32           HB       THR  32  -3.629  -4.083  16.614
  232    HG1  THR  32           HG1      THR  32  -5.870  -2.430  16.090
  233   1HG2  THR  32          1HG2      THR  32  -5.535  -4.451  18.129
  234   2HG2  THR  32          2HG2      THR  32  -5.451  -2.748  18.580
  235   3HG2  THR  32          3HG2      THR  32  -4.092  -3.818  18.916
  236    H    ASP  33           H        ASP  33  -1.322  -2.789  17.814
  237    HA   ASP  33           HA       ASP  33  -1.787  -2.231  20.558
  238   1HB   ASP  33          2HB       ASP  33   0.751  -2.943  19.088
  239   2HB   ASP  33          1HB       ASP  33   0.620  -2.840  20.841
  240    H    GLY  34           H        GLY  34  -0.204  -0.547  17.966
  241   1HA   GLY  34          2HA       GLY  34   0.243   1.731  17.829
  242   2HA   GLY  34          1HA       GLY  34  -0.167   1.887  19.531
  243    H    ASP  35           H        ASP  35   2.070  -0.539  18.511
  244    HA   ASP  35           HA       ASP  35   4.252   1.025  19.705
  245   1HB   ASP  35          2HB       ASP  35   3.603  -0.996  20.986
  246   2HB   ASP  35          1HB       ASP  35   3.987  -1.982  19.578
  247    H    LYS  36           H        LYS  36   3.164  -0.596  16.892
  248    HA   LYS  36           HA       LYS  36   5.809  -0.206  15.659
  249   1HB   LYS  36          2HB       LYS  36   4.109  -2.578  15.738
  250   2HB   LYS  36          1HB       LYS  36   4.551  -2.121  14.100
  251   1HG   LYS  36          2HG       LYS  36   6.938  -2.067  14.860
  252   2HG   LYS  36          1HG       LYS  36   6.394  -2.770  16.385
  253   1HD   LYS  36          2HD       LYS  36   5.896  -4.007  13.680
  254   2HD   LYS  36          1HD       LYS  36   7.253  -4.433  14.727
  255   1HE   LYS  36          2HE       LYS  36   5.956  -5.613  16.148
  256   2HE   LYS  36          1HE       LYS  36   4.600  -4.495  16.002
  257   1HZ   LYS  36          1HZ       LYS  36   4.524  -6.918  15.004
  258   2HZ   LYS  36          2HZ       LYS  36   5.240  -6.147  13.679
  259   3HZ   LYS  36          3HZ       LYS  36   3.737  -5.622  14.252
  260    H    VAL  37           H        VAL  37   5.834   1.137  13.986
  261    HA   VAL  37           HA       VAL  37   3.309   1.654  12.559
  262    HB   VAL  37           HB       VAL  37   5.408   3.744  13.141
  263   1HG1  VAL  37          1HG1      VAL  37   3.257   5.160  12.563
  264   2HG1  VAL  37          2HG1      VAL  37   2.822   3.702  11.673
  265   3HG1  VAL  37          3HG1      VAL  37   4.322   4.549  11.298
  266   1HG2  VAL  37          1HG2      VAL  37   3.371   4.618  14.580
  267   2HG2  VAL  37          2HG2      VAL  37   4.555   3.494  15.247
  268   3HG2  VAL  37          3HG2      VAL  37   3.000   2.897  14.667
  269    H    HIS  38           H        HIS  38   3.438   1.201  10.474
  270    HA   HIS  38           HA       HIS  38   6.095   1.187   9.200
  271   1HB   HIS  38          2HB       HIS  38   5.041  -0.990   9.159
  272   2HB   HIS  38          1HB       HIS  38   3.591  -0.307   8.441
  273    HD1  HIS  38           HD1      HIS  38   6.446  -2.160   7.507
  274    HD2  HIS  38           HD2      HIS  38   4.370   1.007   5.797
  275    HE1  HIS  38           HE1      HIS  38   7.070  -2.183   5.070
  276    HE2  HIS  38           HE2      HIS  38   5.737  -0.310   4.042
  277    H    THR  39           H        THR  39   6.442   2.207   7.313
  278    HA   THR  39           HA       THR  39   4.305   4.019   6.396
  279    HB   THR  39           HB       THR  39   7.264   4.490   6.059
  280    HG1  THR  39           HG1      THR  39   5.543   5.232   8.171
  281   1HG2  THR  39          1HG2      THR  39   6.624   6.824   5.812
  282   2HG2  THR  39          2HG2      THR  39   4.925   6.378   5.969
  283   3HG2  THR  39          3HG2      THR  39   5.861   5.813   4.585
  284    H    VAL  40           H        VAL  40   3.677   3.912   4.334
  285    HA   VAL  40           HA       VAL  40   5.187   2.136   2.534
  286    HB   VAL  40           HB       VAL  40   2.272   2.896   2.338
  287   1HG1  VAL  40          1HG1      VAL  40   2.088   1.228   0.668
  288   2HG1  VAL  40          2HG1      VAL  40   3.718   0.633   0.985
  289   3HG1  VAL  40          3HG1      VAL  40   3.486   2.215   0.241
  290   1HG2  VAL  40          1HG2      VAL  40   3.298   0.220   3.216
  291   2HG2  VAL  40          2HG2      VAL  40   1.676   0.895   3.378
  292   3HG2  VAL  40          3HG2      VAL  40   2.994   1.514   4.375
  293    H    VAL  41           H        VAL  41   5.809   2.835   0.548
  294    HA   VAL  41           HA       VAL  41   5.547   5.694   0.027
  295    HB   VAL  41           HB       VAL  41   7.191   3.676  -1.504
  296   1HG1  VAL  41          1HG1      VAL  41   8.495   5.930  -1.881
  297   2HG1  VAL  41          2HG1      VAL  41   6.917   6.639  -1.546
  298   3HG1  VAL  41          3HG1      VAL  41   7.108   5.504  -2.881
  299   1HG2  VAL  41          1HG2      VAL  41   8.245   3.517   0.513
  300   2HG2  VAL  41          2HG2      VAL  41   7.717   5.115   1.040
  301   3HG2  VAL  41          3HG2      VAL  41   9.045   4.959  -0.110
  302    H    LEU  42           H        LEU  42   3.831   6.306  -1.098
  303    HA   LEU  42           HA       LEU  42   2.353   4.562  -2.790
  304   1HB   LEU  42          2HB       LEU  42   2.171   7.566  -2.715
  305   2HB   LEU  42          1HB       LEU  42   0.927   6.429  -3.201
  306    HG   LEU  42           HG       LEU  42   1.975   6.864  -0.405
  307   1HD1  LEU  42          1HD1      LEU  42  -0.276   7.904  -1.936
  308   2HD1  LEU  42          2HD1      LEU  42   0.443   8.485  -0.434
  309   3HD1  LEU  42          3HD1      LEU  42  -0.747   7.184  -0.395
  310   1HD2  LEU  42          1HD2      LEU  42   0.485   4.636  -1.612
  311   2HD2  LEU  42          2HD2      LEU  42  -0.208   5.285  -0.126
  312   3HD2  LEU  42          3HD2      LEU  42   1.453   4.691  -0.138
  313    H    SER  43           H        SER  43   5.186   6.323  -3.317
  314    HA   SER  43           HA       SER  43   4.752   6.959  -6.080
  315   1HB   SER  43          2HB       SER  43   6.566   7.779  -4.179
  316   2HB   SER  43          1HB       SER  43   7.544   6.730  -5.204
  317    HG   SER  43           HG       SER  43   6.866   7.979  -6.993
  318    H    THR  44           H        THR  44   5.993   4.265  -4.263
  319    HA   THR  44           HA       THR  44   7.213   2.989  -6.520
  320    HB   THR  44           HB       THR  44   8.002   2.642  -4.187
  321    HG1  THR  44           HG1      THR  44   8.742   0.983  -5.243
  322   1HG2  THR  44          1HG2      THR  44   5.278   1.928  -3.724
  323   2HG2  THR  44          2HG2      THR  44   6.597   2.117  -2.569
  324   3HG2  THR  44          3HG2      THR  44   6.325   0.559  -3.350
  325    H    ILE  45           H        ILE  45   4.084   3.070  -5.089
  326    HA   ILE  45           HA       ILE  45   3.095   0.620  -6.141
  327    HB   ILE  45           HB       ILE  45   1.468   3.052  -5.416
  328   1HG1  ILE  45          2HG1      ILE  45   2.919   2.542  -3.545
  329   2HG1  ILE  45          1HG1      ILE  45   1.284   2.009  -3.162
  330   1HG2  ILE  45          1HG2      ILE  45   0.729   0.136  -5.296
  331   2HG2  ILE  45          2HG2      ILE  45   0.356   1.191  -6.660
  332   3HG2  ILE  45          3HG2      ILE  45  -0.333   1.526  -5.071
  333   1HD1  ILE  45          1HD1      ILE  45   3.715   0.389  -3.752
  334   2HD1  ILE  45          2HD1      ILE  45   2.112  -0.285  -4.048
  335   3HD1  ILE  45          3HD1      ILE  45   2.559   0.247  -2.427
  336    H    ASP  46           H        ASP  46   3.248   0.316  -8.286
  337    HA   ASP  46           HA       ASP  46   2.620   2.459 -10.138
  338   1HB   ASP  46          2HB       ASP  46   4.523   0.951 -10.583
  339   2HB   ASP  46          1HB       ASP  46   3.411  -0.410 -10.681
  340    H    LYS  47           H        LYS  47   1.079  -0.301  -8.735
  341    HA   LYS  47           HA       LYS  47  -1.367   0.351 -10.166
  342   1HB   LYS  47          2HB       LYS  47  -0.087  -2.384 -10.256
  343   2HB   LYS  47          1HB       LYS  47  -1.765  -2.079 -10.684
  344   1HG   LYS  47          2HG       LYS  47  -1.128  -0.720 -12.532
  345   2HG   LYS  47          1HG       LYS  47   0.564  -0.734 -12.031
  346   1HD   LYS  47          2HD       LYS  47   0.188  -2.272 -13.889
  347   2HD   LYS  47          1HD       LYS  47   0.665  -3.145 -12.431
  348   1HE   LYS  47          2HE       LYS  47  -1.240  -4.142 -13.772
  349   2HE   LYS  47          1HE       LYS  47  -1.529  -3.911 -12.047
  350   1HZ   LYS  47          1HZ       LYS  47  -3.398  -3.201 -13.472
  351   2HZ   LYS  47          2HZ       LYS  47  -2.407  -2.012 -14.153
  352   3HZ   LYS  47          3HZ       LYS  47  -2.792  -1.950 -12.507
  353    H    LEU  48           H        LEU  48  -3.262  -0.779  -9.248
  354    HA   LEU  48           HA       LEU  48  -2.841  -1.691  -6.490
  355   1HB   LEU  48          2HB       LEU  48  -4.676  -0.350  -5.688
  356   2HB   LEU  48          1HB       LEU  48  -3.481   0.684  -6.448
  357    HG   LEU  48           HG       LEU  48  -5.281   0.075  -8.495
  358   1HD1  LEU  48          1HD1      LEU  48  -6.853  -0.782  -6.830
  359   2HD1  LEU  48          2HD1      LEU  48  -7.453   0.694  -7.588
  360   3HD1  LEU  48          3HD1      LEU  48  -6.769   0.751  -5.963
  361   1HD2  LEU  48          1HD2      LEU  48  -4.531   2.416  -6.858
  362   2HD2  LEU  48          2HD2      LEU  48  -6.038   2.541  -7.764
  363   3HD2  LEU  48          3HD2      LEU  48  -4.528   2.204  -8.609
  364    H    GLN  49           H        GLN  49  -3.633  -3.674  -6.337
  365    HA   GLN  49           HA       GLN  49  -6.018  -4.367  -7.923
  366   1HB   GLN  49          2HB       GLN  49  -3.811  -6.159  -6.894
  367   2HB   GLN  49          1HB       GLN  49  -5.245  -6.718  -7.743
  368   1HG   GLN  49          2HG       GLN  49  -4.564  -5.369  -9.698
  369   2HG   GLN  49          1HG       GLN  49  -3.082  -4.940  -8.843
  370   1HE2  GLN  49          1HE2      GLN  49  -1.402  -6.304  -8.890
  371   2HE2  GLN  49          2HE2      GLN  49  -1.416  -7.864  -9.634
  372    H    ALA  50           H        ALA  50  -7.826  -4.769  -6.841
  373    HA   ALA  50           HA       ALA  50  -7.624  -5.410  -3.971
  374   1HB   ALA  50          1HB       ALA  50  -8.664  -3.176  -4.726
  375   2HB   ALA  50          2HB       ALA  50  -9.520  -4.142  -3.524
  376   3HB   ALA  50          3HB       ALA  50 -10.049  -4.158  -5.207
  377    H    THR  51           H        THR  51  -9.438  -6.697  -3.100
  378    HA   THR  51           HA       THR  51  -9.833  -9.043  -4.660
  379    HB   THR  51           HB       THR  51 -11.253  -9.778  -2.743
  380    HG1  THR  51           HG1      THR  51 -10.554  -7.294  -1.580
  381   1HG2  THR  51          1HG2      THR  51  -8.483  -8.799  -2.368
  382   2HG2  THR  51          2HG2      THR  51  -9.137 -10.433  -2.263
  383   3HG2  THR  51          3HG2      THR  51  -9.390  -9.296  -0.940
  384    HA   PRO  52           HA       PRO  52 -13.571  -8.112  -6.801
  385   1HB   PRO  52          2HB       PRO  52 -14.751 -10.570  -6.859
  386   2HB   PRO  52          1HB       PRO  52 -13.384 -10.122  -7.885
  387   1HG   PRO  52          2HG       PRO  52 -13.403 -11.667  -5.322
  388   2HG   PRO  52          1HG       PRO  52 -12.489 -11.979  -6.810
  389   1HD   PRO  52          2HD       PRO  52 -11.362 -10.814  -4.655
  390   2HD   PRO  52          1HD       PRO  52 -10.891 -10.385  -6.312
  391    H    ALA  53           H        ALA  53 -15.780  -7.757  -6.506
  392    HA   ALA  53           HA       ALA  53 -16.642  -7.378  -3.847
  393   1HB   ALA  53          1HB       ALA  53 -18.945  -7.168  -5.198
  394   2HB   ALA  53          2HB       ALA  53 -17.807  -7.015  -6.537
  395   3HB   ALA  53          3HB       ALA  53 -17.721  -5.899  -5.173
  396    H    SER  54           H        SER  54 -16.695 -10.140  -5.851
  397    HA   SER  54           HA       SER  54 -18.950 -11.370  -4.488
  398   1HB   SER  54          2HB       SER  54 -17.103 -12.383  -6.659
  399   2HB   SER  54          1HB       SER  54 -18.443 -13.312  -5.986
  400    HG   SER  54           HG       SER  54 -18.469 -11.153  -7.720
  401    H    SER  55           H        SER  55 -15.813 -10.866  -3.688
  402    HA   SER  55           HA       SER  55 -15.504 -13.468  -2.358
  403   1HB   SER  55          2HB       SER  55 -13.538 -11.383  -3.260
  404   2HB   SER  55          1HB       SER  55 -13.104 -12.524  -1.988
  405    HG   SER  55           HG       SER  55 -14.134 -13.338  -4.496
  406    H    GLU  56           H        GLU  56 -16.199 -13.488  -0.342
  407    HA   GLU  56           HA       GLU  56 -16.797 -11.248   1.208
  408   1HB   GLU  56          2HB       GLU  56 -16.138 -14.054   2.115
  409   2HB   GLU  56          1HB       GLU  56 -16.899 -12.824   3.114
  410   1HG   GLU  56          2HG       GLU  56 -18.794 -12.758   1.547
  411   2HG   GLU  56          1HG       GLU  56 -18.038 -14.046   0.611
  412    H    LYS  57           H        LYS  57 -13.788 -12.715   0.524
  413    HA   LYS  57           HA       LYS  57 -12.418 -11.845   2.890
  414   1HB   LYS  57          2HB       LYS  57 -11.339 -12.745   0.212
  415   2HB   LYS  57          1HB       LYS  57 -10.373 -12.495   1.659
  416   1HG   LYS  57          2HG       LYS  57 -11.768 -14.243   2.784
  417   2HG   LYS  57          1HG       LYS  57 -12.498 -14.574   1.211
  418   1HD   LYS  57          2HD       LYS  57  -9.536 -14.699   1.764
  419   2HD   LYS  57          1HD       LYS  57 -10.611 -16.098   1.811
  420   1HE   LYS  57          2HE       LYS  57 -10.777 -14.457  -0.627
  421   2HE   LYS  57          1HE       LYS  57  -9.243 -15.292  -0.383
  422   1HZ   LYS  57          1HZ       LYS  57 -11.724 -16.809  -0.029
  423   2HZ   LYS  57          2HZ       LYS  57 -10.214 -17.329  -0.582
  424   3HZ   LYS  57          3HZ       LYS  57 -11.229 -16.445  -1.606
  425    H    MET  58           H        MET  58 -12.000  -9.789   3.319
  426    HA   MET  58           HA       MET  58 -11.802  -7.859   1.138
  427   1HB   MET  58          2HB       MET  58 -12.011  -7.527   4.132
  428   2HB   MET  58          1HB       MET  58 -11.805  -6.182   3.019
  429   1HG   MET  58          2HG       MET  58 -14.036  -6.101   3.069
  430   2HG   MET  58          1HG       MET  58 -13.934  -7.431   1.916
  431   1HE   MET  58          1HE       MET  58 -14.519  -6.211   5.404
  432   2HE   MET  58          2HE       MET  58 -15.534  -7.451   6.139
  433   3HE   MET  58          3HE       MET  58 -16.142  -6.506   4.780
  434    H    MET  59           H        MET  59  -9.828  -7.763   0.259
  435    HA   MET  59           HA       MET  59  -7.595  -7.032   1.963
  436   1HB   MET  59          2HB       MET  59  -7.395  -9.404   0.100
  437   2HB   MET  59          1HB       MET  59  -6.104  -8.747   1.097
  438   1HG   MET  59          2HG       MET  59  -7.444  -9.317   3.107
  439   2HG   MET  59          1HG       MET  59  -8.615 -10.101   2.048
  440   1HE   MET  59          1HE       MET  59  -7.516 -11.598   4.395
  441   2HE   MET  59          2HE       MET  59  -6.821 -13.108   3.805
  442   3HE   MET  59          3HE       MET  59  -8.388 -12.564   3.206
  443    H    LEU  60           H        LEU  60  -6.153  -5.705   0.958
  444    HA   LEU  60           HA       LEU  60  -6.629  -5.177  -1.903
  445   1HB   LEU  60          2HB       LEU  60  -7.276  -3.332  -0.382
  446   2HB   LEU  60          1HB       LEU  60  -5.624  -3.260   0.202
  447    HG   LEU  60           HG       LEU  60  -4.945  -2.772  -2.206
  448   1HD1  LEU  60          1HD1      LEU  60  -6.864  -3.436  -3.416
  449   2HD1  LEU  60          2HD1      LEU  60  -6.795  -1.678  -3.524
  450   3HD1  LEU  60          3HD1      LEU  60  -7.928  -2.451  -2.414
  451   1HD2  LEU  60          1HD2      LEU  60  -5.067  -0.514  -1.814
  452   2HD2  LEU  60          2HD2      LEU  60  -5.352  -1.142  -0.191
  453   3HD2  LEU  60          3HD2      LEU  60  -6.710  -0.602  -1.178
  454    H    ARG  61           H        ARG  61  -4.979  -5.478  -3.255
  455    HA   ARG  61           HA       ARG  61  -2.302  -5.893  -2.101
  456   1HB   ARG  61          2HB       ARG  61  -3.764  -7.602  -3.656
  457   2HB   ARG  61          1HB       ARG  61  -2.763  -6.800  -4.859
  458   1HG   ARG  61          2HG       ARG  61  -1.279  -7.649  -2.497
  459   2HG   ARG  61          1HG       ARG  61  -2.041  -8.978  -3.371
  460   1HD   ARG  61          2HD       ARG  61  -0.193  -6.898  -4.534
  461   2HD   ARG  61          1HD       ARG  61   0.210  -8.582  -4.201
  462    HE   ARG  61           HE       ARG  61  -1.254  -7.560  -6.453
  463   1HH1  ARG  61          1HH1      ARG  61  -0.672 -10.359  -4.452
  464   2HH1  ARG  61          2HH1      ARG  61  -1.152 -11.488  -5.674
  465   1HH2  ARG  61          1HH2      ARG  61  -1.886  -9.043  -8.062
  466   2HH2  ARG  61          2HH2      ARG  61  -1.839 -10.742  -7.724
  467    H    LEU  62           H        LEU  62  -0.628  -4.680  -2.733
  468    HA   LEU  62           HA       LEU  62  -1.077  -2.779  -4.942
  469   1HB   LEU  62          2HB       LEU  62  -0.290  -2.336  -2.183
  470   2HB   LEU  62          1HB       LEU  62   0.889  -1.677  -3.302
  471    HG   LEU  62           HG       LEU  62  -0.973  -0.443  -4.433
  472   1HD1  LEU  62          1HD1      LEU  62  -2.680  -0.802  -2.043
  473   2HD1  LEU  62          2HD1      LEU  62  -2.651  -2.119  -3.215
  474   3HD1  LEU  62          3HD1      LEU  62  -3.123  -0.496  -3.722
  475   1HD2  LEU  62          1HD2      LEU  62  -1.132   0.490  -1.650
  476   2HD2  LEU  62          2HD2      LEU  62  -0.598   1.334  -3.104
  477   3HD2  LEU  62          3HD2      LEU  62   0.503   0.242  -2.264
  478    H    ILE  63           H        ILE  63   0.357  -2.786  -6.533
  479    HA   ILE  63           HA       ILE  63   2.725  -4.498  -6.251
  480    HB   ILE  63           HB       ILE  63   1.667  -3.371  -8.833
  481   1HG1  ILE  63          2HG1      ILE  63  -0.177  -4.593  -7.865
  482   2HG1  ILE  63          1HG1      ILE  63   0.535  -5.580  -9.138
  483   1HG2  ILE  63          1HG2      ILE  63   2.817  -5.386  -9.755
  484   2HG2  ILE  63          2HG2      ILE  63   3.458  -5.688  -8.140
  485   3HG2  ILE  63          3HG2      ILE  63   3.894  -4.212  -8.998
  486   1HD1  ILE  63          1HD1      ILE  63   0.183  -6.157  -6.346
  487   2HD1  ILE  63          2HD1      ILE  63   1.875  -6.324  -6.817
  488   3HD1  ILE  63          3HD1      ILE  63   0.627  -7.231  -7.671
  489    H    GLY  64           H        GLY  64   4.774  -3.756  -6.557
  490   1HA   GLY  64          2HA       GLY  64   5.193  -0.923  -6.337
  491   2HA   GLY  64          1HA       GLY  64   6.438  -2.159  -6.395
  492    H    LYS  65           H        LYS  65   7.302  -0.206  -7.714
  493    HA   LYS  65           HA       LYS  65   6.306   0.105 -10.373
  494   1HB   LYS  65          2HB       LYS  65   8.568   1.155  -8.784
  495   2HB   LYS  65          1HB       LYS  65   8.821   1.098 -10.524
  496   1HG   LYS  65          2HG       LYS  65   6.776   2.407 -10.855
  497   2HG   LYS  65          1HG       LYS  65   6.559   2.489  -9.105
  498   1HD   LYS  65          2HD       LYS  65   8.644   3.700  -8.870
  499   2HD   LYS  65          1HD       LYS  65   8.962   3.538 -10.599
  500   1HE   LYS  65          2HE       LYS  65   7.065   4.915 -11.131
  501   2HE   LYS  65          1HE       LYS  65   6.571   4.962  -9.438
  502   1HZ   LYS  65          1HZ       LYS  65   7.667   6.990  -9.929
  503   2HZ   LYS  65          2HZ       LYS  65   8.983   6.200 -10.641
  504   3HZ   LYS  65          3HZ       LYS  65   8.730   6.084  -8.973
  505    H    VAL  66           H        VAL  66   8.291   0.002 -12.110
  506    HA   VAL  66           HA       VAL  66   9.149  -2.819 -12.072
  507    HB   VAL  66           HB       VAL  66   8.692  -1.114 -14.521
  508   1HG1  VAL  66          1HG1      VAL  66   8.558  -3.500 -15.521
  509   2HG1  VAL  66          2HG1      VAL  66   9.416  -3.979 -14.056
  510   3HG1  VAL  66          3HG1      VAL  66  10.140  -2.808 -15.158
  511   1HG2  VAL  66          1HG2      VAL  66   6.726  -2.953 -14.619
  512   2HG2  VAL  66          2HG2      VAL  66   6.519  -1.335 -13.948
  513   3HG2  VAL  66          3HG2      VAL  66   6.828  -2.700 -12.877
  514    H    ASP  67           H        ASP  67  11.254  -3.296 -12.353
  515    HA   ASP  67           HA       ASP  67  13.176  -1.179 -12.188
  516   1HB   ASP  67          2HB       ASP  67  14.841  -3.005 -12.164
  517   2HB   ASP  67          1HB       ASP  67  13.551  -3.269 -10.996
  518    H    GLU  68           H        GLU  68  15.202  -1.364 -13.639
  519    HA   GLU  68           HA       GLU  68  14.308  -1.579 -16.439
  520   1HB   GLU  68          2HB       GLU  68  16.354   0.303 -15.246
  521   2HB   GLU  68          1HB       GLU  68  15.971   0.181 -16.957
  522   1HG   GLU  68          2HG       GLU  68  13.649   0.849 -16.448
  523   2HG   GLU  68          1HG       GLU  68  14.113   1.063 -14.760
  524    H    SER  69           H        SER  69  15.333  -3.786 -15.046
  525    HA   SER  69           HA       SER  69  18.069  -4.218 -15.270
  526   1HB   SER  69          2HB       SER  69  15.869  -6.268 -15.614
  527   2HB   SER  69          1HB       SER  69  17.549  -6.605 -15.198
  528    HG   SER  69           HG       SER  69  17.114  -5.173 -13.322
  529    H    LYS  70           H        LYS  70  15.643  -4.099 -17.709
  530    HA   LYS  70           HA       LYS  70  16.811  -5.646 -19.720
  531   1HB   LYS  70          2HB       LYS  70  15.113  -3.155 -19.936
  532   2HB   LYS  70          1HB       LYS  70  15.514  -4.199 -21.293
  533   1HG   LYS  70          2HG       LYS  70  14.398  -6.074 -20.122
  534   2HG   LYS  70          1HG       LYS  70  13.909  -4.943 -18.858
  535   1HD   LYS  70          2HD       LYS  70  12.735  -3.600 -20.582
  536   2HD   LYS  70          1HD       LYS  70  13.145  -4.834 -21.776
  537   1HE   LYS  70          2HE       LYS  70  11.061  -5.554 -21.190
  538   2HE   LYS  70          1HE       LYS  70  12.019  -6.425 -19.993
  539   1HZ   LYS  70          1HZ       LYS  70  11.590  -4.240 -18.629
  540   2HZ   LYS  70          2HZ       LYS  70  10.455  -5.492 -18.656
  541   3HZ   LYS  70          3HZ       LYS  70  10.236  -4.133 -19.638
  542    H    LYS  71           H        LYS  71  17.454  -2.358 -18.676
  543    HA   LYS  71           HA       LYS  71  19.410  -2.006 -20.824
  544   1HB   LYS  71          2HB       LYS  71  18.083  -0.143 -18.884
  545   2HB   LYS  71          1HB       LYS  71  19.576   0.333 -19.682
  546   1HG   LYS  71          2HG       LYS  71  17.893   1.227 -21.019
  547   2HG   LYS  71          1HG       LYS  71  18.385  -0.242 -21.866
  548   1HD   LYS  71          2HD       LYS  71  16.485  -1.440 -20.888
  549   2HD   LYS  71          1HD       LYS  71  15.997   0.029 -20.039
  550   1HE   LYS  71          2HE       LYS  71  16.237  -0.183 -23.034
  551   2HE   LYS  71          1HE       LYS  71  14.735  -0.438 -22.150
  552   1HZ   LYS  71          1HZ       LYS  71  15.482   1.918 -23.120
  553   2HZ   LYS  71          2HZ       LYS  71  16.148   2.032 -21.569
  554   3HZ   LYS  71          3HZ       LYS  71  14.491   1.752 -21.758
  555    H    ARG  72           H        ARG  72  21.587  -1.581 -20.435
  556    HA   ARG  72           HA       ARG  72  22.529  -2.428 -17.779
  557   1HB   ARG  72          2HB       ARG  72  23.892  -2.535 -20.474
  558   2HB   ARG  72          1HB       ARG  72  24.668  -2.965 -18.955
  559   1HG   ARG  72          2HG       ARG  72  22.984  -4.735 -18.628
  560   2HG   ARG  72          1HG       ARG  72  22.290  -4.329 -20.200
  561   1HD   ARG  72          2HD       ARG  72  23.732  -6.202 -20.511
  562   2HD   ARG  72          1HD       ARG  72  24.527  -4.794 -21.214
  563    HE   ARG  72           HE       ARG  72  25.390  -5.084 -18.563
  564   1HH1  ARG  72          1HH1      ARG  72  25.663  -6.701 -21.645
  565   2HH1  ARG  72          2HH1      ARG  72  27.216  -7.383 -21.290
  566   1HH2  ARG  72          1HH2      ARG  72  27.432  -5.980 -18.096
  567   2HH2  ARG  72          2HH2      ARG  72  28.219  -6.974 -19.276
  568    H    LYS  73           H        LYS  73  23.468  -0.971 -16.521
  569    HA   LYS  73           HA       LYS  73  24.190   1.624 -17.653
  570   1HB   LYS  73          2HB       LYS  73  23.848   0.703 -14.796
  571   2HB   LYS  73          1HB       LYS  73  24.336   2.328 -15.254
  572   1HG   LYS  73          2HG       LYS  73  22.211   2.574 -16.494
  573   2HG   LYS  73          1HG       LYS  73  21.722   0.985 -15.902
  574   1HD   LYS  73          2HD       LYS  73  21.949   1.814 -13.586
  575   2HD   LYS  73          1HD       LYS  73  22.347   3.411 -14.221
  576   1HE   LYS  73          2HE       LYS  73  20.034   3.421 -13.643
  577   2HE   LYS  73          1HE       LYS  73  20.146   3.403 -15.402
  578   1HZ   LYS  73          1HZ       LYS  73  18.691   1.728 -15.216
  579   2HZ   LYS  73          2HZ       LYS  73  19.076   1.410 -13.600
  580   3HZ   LYS  73          3HZ       LYS  73  20.044   0.786 -14.840
  581    H    ASP  74           H        ASP  74  26.175   2.688 -16.917
  582    HA   ASP  74           HA       ASP  74  28.447   1.144 -17.418
  583   1HB   ASP  74          2HB       ASP  74  28.160   3.855 -16.120
  584   2HB   ASP  74          1HB       ASP  74  29.712   3.148 -16.554
  585    H    ASN  75           H        ASN  75  26.756   1.796 -14.479
  586    HA   ASN  75           HA       ASN  75  26.918   0.818 -12.418
  587   1HB   ASN  75          2HB       ASN  75  27.853  -1.151 -13.792
  588   2HB   ASN  75          1HB       ASN  75  29.437  -0.586 -13.271
  589   1HD2  ASN  75          1HD2      ASN  75  30.191  -1.559 -11.547
  590   2HD2  ASN  75          2HD2      ASN  75  29.256  -2.245 -10.266
  591    H    GLU  76           H        GLU  76  28.990   2.964 -13.735
  592    HA   GLU  76           HA       GLU  76  30.937   3.095 -11.612
  593   1HB   GLU  76          2HB       GLU  76  30.359   4.960 -13.919
  594   2HB   GLU  76          1HB       GLU  76  31.691   5.160 -12.789
  595   1HG   GLU  76          2HG       GLU  76  32.589   2.984 -13.495
  596   2HG   GLU  76          1HG       GLU  76  31.278   2.844 -14.666
  597    H    GLY  77           H        GLY  77  28.818   3.174 -10.181
  598   1HA   GLY  77          2HA       GLY  77  28.064   4.497  -8.403
  599   2HA   GLY  77          1HA       GLY  77  28.668   5.921  -9.237
  600    H    ASN  78           H        ASN  78  26.834   3.947 -11.283
  601    HA   ASN  78           HA       ASN  78  24.774   5.911 -11.493
  602   1HB   ASN  78          2HB       ASN  78  25.104   3.178 -12.738
  603   2HB   ASN  78          1HB       ASN  78  23.765   4.260 -13.111
  604   1HD2  ASN  78          1HD2      ASN  78  27.215   3.786 -13.336
  605   2HD2  ASN  78          2HD2      ASN  78  27.488   4.943 -14.589
  606    H    GLU  79           H        GLU  79  22.624   5.786 -10.906
  607    HA   GLU  79           HA       GLU  79  22.033   3.827  -8.807
  608   1HB   GLU  79          2HB       GLU  79  21.821   6.229  -8.249
  609   2HB   GLU  79          1HB       GLU  79  20.595   6.394  -9.499
  610   1HG   GLU  79          2HG       GLU  79  19.200   4.751  -8.286
  611   2HG   GLU  79          1HG       GLU  79  20.407   4.727  -7.001
  612    H    VAL  80           H        VAL  80  20.175   2.576  -8.822
  613    HA   VAL  80           HA       VAL  80  18.644   2.560 -11.339
  614    HB   VAL  80           HB       VAL  80  18.489   0.105 -11.185
  615   1HG1  VAL  80          1HG1      VAL  80  21.406   0.489 -11.146
  616   2HG1  VAL  80          2HG1      VAL  80  20.513   1.569 -12.217
  617   3HG1  VAL  80          3HG1      VAL  80  20.363  -0.179 -12.401
  618   1HG2  VAL  80          1HG2      VAL  80  20.499  -0.789  -9.633
  619   2HG2  VAL  80          2HG2      VAL  80  18.824  -0.676  -9.092
  620   3HG2  VAL  80          3HG2      VAL  80  19.971   0.599  -8.683
  621    H    VAL  81           H        VAL  81  16.471   1.807 -11.190
  622    HA   VAL  81           HA       VAL  81  15.162   2.617  -8.787
  623    HB   VAL  81           HB       VAL  81  13.083   1.791  -9.960
  624   1HG1  VAL  81          1HG1      VAL  81  14.258   4.120 -10.142
  625   2HG1  VAL  81          2HG1      VAL  81  12.911   3.718 -11.206
  626   3HG1  VAL  81          3HG1      VAL  81  14.567   3.610 -11.802
  627   1HG2  VAL  81          1HG2      VAL  81  14.841   1.481 -12.374
  628   2HG2  VAL  81          2HG2      VAL  81  13.158   0.998 -12.161
  629   3HG2  VAL  81          3HG2      VAL  81  14.440   0.112 -11.335
  630    HA   PRO  82           HA       PRO  82  15.193  -1.164  -6.473
  631   1HB   PRO  82          2HB       PRO  82  12.440  -0.359  -5.680
  632   2HB   PRO  82          1HB       PRO  82  13.827  -0.776  -4.668
  633   1HG   PRO  82          2HG       PRO  82  13.053   1.757  -4.939
  634   2HG   PRO  82          1HG       PRO  82  14.773   1.331  -4.865
  635   1HD   PRO  82          2HD       PRO  82  13.105   2.086  -7.224
  636   2HD   PRO  82          1HD       PRO  82  14.799   2.477  -6.867
  637    H    LYS  83           H        LYS  83  14.301  -3.237  -6.521
  638    HA   LYS  83           HA       LYS  83  13.088  -4.044  -8.914
  639   1HB   LYS  83          2HB       LYS  83  13.625  -5.363  -6.284
  640   2HB   LYS  83          1HB       LYS  83  12.591  -6.180  -7.449
  641   1HG   LYS  83          2HG       LYS  83  14.814  -6.990  -7.728
  642   2HG   LYS  83          1HG       LYS  83  14.422  -5.979  -9.121
  643   1HD   LYS  83          2HD       LYS  83  15.818  -4.261  -8.427
  644   2HD   LYS  83          1HD       LYS  83  15.803  -4.795  -6.745
  645   1HE   LYS  83          2HE       LYS  83  17.051  -6.850  -7.521
  646   2HE   LYS  83          1HE       LYS  83  17.253  -6.037  -9.073
  647   1HZ   LYS  83          1HZ       LYS  83  19.131  -5.311  -8.100
  648   2HZ   LYS  83          2HZ       LYS  83  18.546  -5.515  -6.526
  649   3HZ   LYS  83          3HZ       LYS  83  18.110  -4.146  -7.418
  650    HA   PRO  84           HA       PRO  84   8.759  -3.536  -8.305
  651   1HB   PRO  84          2HB       PRO  84   7.712  -5.826  -9.331
  652   2HB   PRO  84          1HB       PRO  84   8.401  -4.547 -10.336
  653   1HG   PRO  84          2HG       PRO  84   9.641  -7.113  -9.425
  654   2HG   PRO  84          1HG       PRO  84   9.701  -6.347 -11.023
  655   1HD   PRO  84          2HD       PRO  84  11.743  -6.179  -9.259
  656   2HD   PRO  84          1HD       PRO  84  11.354  -4.867 -10.390
  657    H    GLN  85           H        GLN  85   8.662  -3.550  -6.030
  658    HA   GLN  85           HA       GLN  85   8.191  -6.124  -4.721
  659   1HB   GLN  85          2HB       GLN  85   8.591  -3.353  -3.583
  660   2HB   GLN  85          1HB       GLN  85   8.310  -4.793  -2.616
  661   1HG   GLN  85          2HG       GLN  85  10.370  -5.775  -3.446
  662   2HG   GLN  85          1HG       GLN  85  10.645  -4.366  -4.467
  663   1HE2  GLN  85          1HE2      GLN  85  12.518  -5.214  -2.640
  664   2HE2  GLN  85          2HE2      GLN  85  12.650  -4.049  -1.370
  665    H    ARG  86           H        ARG  86   6.257  -6.737  -3.923
  666    HA   ARG  86           HA       ARG  86   4.005  -4.881  -4.315
  667   1HB   ARG  86          2HB       ARG  86   2.583  -6.857  -4.571
  668   2HB   ARG  86          1HB       ARG  86   3.897  -6.871  -5.740
  669   1HG   ARG  86          2HG       ARG  86   4.069  -9.014  -5.074
  670   2HG   ARG  86          1HG       ARG  86   5.039  -8.299  -3.785
  671   1HD   ARG  86          2HD       ARG  86   3.073  -8.229  -2.339
  672   2HD   ARG  86          1HD       ARG  86   2.093  -8.924  -3.628
  673    HE   ARG  86           HE       ARG  86   2.885 -10.979  -3.046
  674   1HH1  ARG  86          1HH1      ARG  86   5.078  -8.567  -1.802
  675   2HH1  ARG  86          2HH1      ARG  86   6.052  -9.713  -0.944
  676   1HH2  ARG  86          1HH2      ARG  86   4.164 -12.489  -1.919
  677   2HH2  ARG  86          2HH2      ARG  86   5.533 -11.941  -1.010
  678    H    HIS  87           H        HIS  87   2.495  -4.607  -2.703
  679    HA   HIS  87           HA       HIS  87   3.207  -5.758  -0.086
  680   1HB   HIS  87          2HB       HIS  87   2.142  -3.050  -0.847
  681   2HB   HIS  87          1HB       HIS  87   1.937  -3.678   0.784
  682    HD1  HIS  87           HD1      HIS  87   3.750  -3.062   2.343
  683    HD2  HIS  87           HD2      HIS  87   5.050  -3.084  -1.605
  684    HE1  HIS  87           HE1      HIS  87   6.140  -2.282   2.419
  685    HE2  HIS  87           HE2      HIS  87   6.880  -2.225   0.010
  686    H    MET  88           H        MET  88   1.834  -7.315   0.460
  687    HA   MET  88           HA       MET  88  -0.917  -7.243  -0.502
  688   1HB   MET  88          2HB       MET  88   0.598  -9.367   1.027
  689   2HB   MET  88          1HB       MET  88  -1.052  -9.532   0.445
  690   1HG   MET  88          2HG       MET  88  -0.214  -9.215  -1.865
  691   2HG   MET  88          1HG       MET  88   1.428  -9.212  -1.225
  692   1HE   MET  88          1HE       MET  88   0.994 -11.925   1.093
  693   2HE   MET  88          2HE       MET  88   2.250 -10.944   0.341
  694   3HE   MET  88          3HE       MET  88   2.124 -12.661  -0.041
  695    H    PHE  89           H        PHE  89  -2.449  -6.326   0.683
  696    HA   PHE  89           HA       PHE  89  -2.097  -6.223   3.605
  697   1HB   PHE  89          2HB       PHE  89  -3.491  -4.336   1.710
  698   2HB   PHE  89          1HB       PHE  89  -3.727  -4.275   3.454
  699    HD1  PHE  89           HD1      PHE  89  -1.547  -3.454   0.698
  700    HD2  PHE  89           HD2      PHE  89  -1.816  -3.739   4.934
  701    HE1  PHE  89           HE1      PHE  89   0.460  -2.047   0.914
  702    HE2  PHE  89           HE2      PHE  89   0.189  -2.330   5.160
  703    HZ   PHE  89           HZ       PHE  89   1.330  -1.482   3.148
  704    H    SER  90           H        SER  90  -4.004  -6.386   4.921
  705    HA   SER  90           HA       SER  90  -6.213  -7.852   3.638
  706   1HB   SER  90          2HB       SER  90  -4.468  -8.669   5.862
  707   2HB   SER  90          1HB       SER  90  -6.191  -8.865   6.186
  708    HG   SER  90           HG       SER  90  -5.816 -10.678   5.140
  709    H    PHE  91           H        PHE  91  -8.081  -6.822   3.884
  710    HA   PHE  91           HA       PHE  91  -8.336  -4.841   6.014
  711   1HB   PHE  91          2HB       PHE  91  -9.658  -5.268   3.370
  712   2HB   PHE  91          1HB       PHE  91 -10.514  -4.364   4.615
  713    HD1  PHE  91           HD1      PHE  91  -9.897  -2.164   5.185
  714    HD2  PHE  91           HD2      PHE  91  -7.493  -4.447   2.520
  715    HE1  PHE  91           HE1      PHE  91  -8.637  -0.131   4.584
  716    HE2  PHE  91           HE2      PHE  91  -6.231  -2.429   1.912
  717    HZ   PHE  91           HZ       PHE  91  -6.801  -0.263   2.945
  718    H    ASN  92           H        ASN  92  -9.846  -4.916   7.575
  719    HA   ASN  92           HA       ASN  92 -11.372  -7.406   7.813
  720   1HB   ASN  92          2HB       ASN  92 -10.566  -5.327   9.853
  721   2HB   ASN  92          1HB       ASN  92 -11.666  -6.655  10.210
  722   1HD2  ASN  92          1HD2      ASN  92 -10.602  -8.782   9.043
  723   2HD2  ASN  92          2HD2      ASN  92  -9.020  -9.114   9.652
  724    H    ASN  93           H        ASN  93 -11.951  -4.698   6.326
  725    HA   ASN  93           HA       ASN  93 -14.764  -4.737   6.945
  726   1HB   ASN  93          2HB       ASN  93 -12.995  -2.453   7.641
  727   2HB   ASN  93          1HB       ASN  93 -14.588  -2.083   6.987
  728   1HD2  ASN  93          1HD2      ASN  93 -12.924  -2.488   9.754
  729   2HD2  ASN  93          2HD2      ASN  93 -14.207  -2.948  10.815
  730    H    ARG  94           H        ARG  94 -15.925  -4.552   5.151
  731    HA   ARG  94           HA       ARG  94 -14.711  -4.277   2.629
  732   1HB   ARG  94          2HB       ARG  94 -16.827  -5.503   3.032
  733   2HB   ARG  94          1HB       ARG  94 -17.635  -3.972   3.335
  734   1HG   ARG  94          2HG       ARG  94 -17.203  -3.264   1.055
  735   2HG   ARG  94          1HG       ARG  94 -16.326  -4.763   0.741
  736   1HD   ARG  94          2HD       ARG  94 -18.518  -5.019  -0.152
  737   2HD   ARG  94          1HD       ARG  94 -18.424  -6.005   1.308
  738    HE   ARG  94           HE       ARG  94 -19.462  -3.387   1.809
  739   1HH1  ARG  94          1HH1      ARG  94 -20.293  -6.588   0.698
  740   2HH1  ARG  94          2HH1      ARG  94 -21.962  -6.443   1.136
  741   1HH2  ARG  94          1HH2      ARG  94 -21.657  -3.194   2.386
  742   2HH2  ARG  94          2HH2      ARG  94 -22.737  -4.516   2.093
  743    H    THR  95           H        THR  95 -16.645  -2.014   4.569
  744    HA   THR  95           HA       THR  95 -16.633   0.070   2.698
  745    HB   THR  95           HB       THR  95 -16.738   0.715   5.572
  746    HG1  THR  95           HG1      THR  95 -18.752  -0.335   5.800
  747   1HG2  THR  95          1HG2      THR  95 -18.746   1.867   4.990
  748   2HG2  THR  95          2HG2      THR  95 -18.757   1.111   3.398
  749   3HG2  THR  95          3HG2      THR  95 -17.496   2.271   3.814
  750    H    VAL  96           H        VAL  96 -14.466  -0.902   5.242
  751    HA   VAL  96           HA       VAL  96 -12.886   1.449   5.237
  752    HB   VAL  96           HB       VAL  96 -12.189  -1.322   6.207
  753   1HG1  VAL  96          1HG1      VAL  96 -10.107  -0.381   6.083
  754   2HG1  VAL  96          2HG1      VAL  96 -10.602   0.195   7.675
  755   3HG1  VAL  96          3HG1      VAL  96 -10.716   1.263   6.276
  756   1HG2  VAL  96          1HG2      VAL  96 -12.841  -0.606   8.371
  757   2HG2  VAL  96          2HG2      VAL  96 -14.151  -0.155   7.281
  758   3HG2  VAL  96          3HG2      VAL  96 -13.010   1.067   7.843
  759    H    MET  97           H        MET  97 -12.712  -1.620   3.559
  760    HA   MET  97           HA       MET  97 -10.153  -1.089   2.382
  761   1HB   MET  97          2HB       MET  97 -10.617  -3.036   0.963
  762   2HB   MET  97          1HB       MET  97 -10.929  -3.385   2.657
  763   1HG   MET  97          2HG       MET  97 -13.272  -3.232   2.337
  764   2HG   MET  97          1HG       MET  97 -13.071  -2.616   0.699
  765   1HE   MET  97          1HE       MET  97 -10.670  -4.783  -0.407
  766   2HE   MET  97          2HE       MET  97 -11.971  -3.866  -1.168
  767   3HE   MET  97          3HE       MET  97 -11.912  -5.622  -1.335
  768    H    ASP  98           H        ASP  98 -13.495  -0.554   1.470
  769    HA   ASP  98           HA       ASP  98 -12.893   0.206  -1.212
  770   1HB   ASP  98          2HB       ASP  98 -15.107  -0.707  -0.492
  771   2HB   ASP  98          1HB       ASP  98 -15.393   0.799   0.374
  772    H    ASN  99           H        ASN  99 -13.126   1.815   1.844
  773    HA   ASN  99           HA       ASN  99 -13.312   4.458   0.818
  774   1HB   ASN  99          2HB       ASN  99 -12.574   3.346   3.516
  775   2HB   ASN  99          1HB       ASN  99 -12.538   5.075   3.181
  776   1HD2  ASN  99          1HD2      ASN  99 -14.151   4.031   5.135
  777   2HD2  ASN  99          2HD2      ASN  99 -15.805   4.187   4.664
  778    H    ILE 100           H        ILE 100 -10.714   2.309   1.637
  779    HA   ILE 100           HA       ILE 100  -8.673   4.341   1.305
  780    HB   ILE 100           HB       ILE 100  -8.400   1.361   1.721
  781   1HG1  ILE 100          2HG1      ILE 100  -9.483   2.621   3.594
  782   2HG1  ILE 100          1HG1      ILE 100  -7.955   1.862   4.034
  783   1HG2  ILE 100          1HG2      ILE 100  -6.445   2.319   0.629
  784   2HG2  ILE 100          2HG2      ILE 100  -6.073   1.841   2.285
  785   3HG2  ILE 100          3HG2      ILE 100  -6.327   3.543   1.894
  786   1HD1  ILE 100          1HD1      ILE 100  -6.850   3.886   4.178
  787   2HD1  ILE 100          2HD1      ILE 100  -8.451   4.269   4.813
  788   3HD1  ILE 100          3HD1      ILE 100  -8.026   4.718   3.161
  789    H    LYS 101           H        LYS 101  -9.820   1.455  -0.400
  790    HA   LYS 101           HA       LYS 101  -7.940   1.319  -2.424
  791   1HB   LYS 101          2HB       LYS 101  -9.704  -0.365  -2.017
  792   2HB   LYS 101          1HB       LYS 101 -10.900   0.749  -2.666
  793   1HG   LYS 101          2HG       LYS 101  -9.888   0.658  -4.840
  794   2HG   LYS 101          1HG       LYS 101  -8.547  -0.305  -4.219
  795   1HD   LYS 101          2HD       LYS 101 -10.036  -1.805  -5.312
  796   2HD   LYS 101          1HD       LYS 101 -10.231  -2.055  -3.575
  797   1HE   LYS 101          2HE       LYS 101 -12.364  -1.959  -4.914
  798   2HE   LYS 101          1HE       LYS 101 -12.273  -0.860  -3.540
  799   1HZ   LYS 101          1HZ       LYS 101 -12.069   0.963  -4.899
  800   2HZ   LYS 101          2HZ       LYS 101 -13.106  -0.003  -5.820
  801   3HZ   LYS 101          3HZ       LYS 101 -11.461   0.079  -6.205
  802    H    MET 102           H        MET 102 -10.727   3.445  -2.126
  803    HA   MET 102           HA       MET 102 -10.576   4.442  -4.789
  804   1HB   MET 102          2HB       MET 102 -11.962   5.464  -2.319
  805   2HB   MET 102          1HB       MET 102 -12.076   6.267  -3.879
  806   1HG   MET 102          2HG       MET 102 -13.020   4.202  -4.837
  807   2HG   MET 102          1HG       MET 102 -12.976   3.467  -3.236
  808   1HE   MET 102          1HE       MET 102 -15.189   2.958  -4.298
  809   2HE   MET 102          2HE       MET 102 -16.520   4.091  -4.541
  810   3HE   MET 102          3HE       MET 102 -16.253   3.371  -2.953
  811    H    THR 103           H        THR 103  -9.601   5.751  -1.660
  812    HA   THR 103           HA       THR 103  -8.514   8.136  -2.600
  813    HB   THR 103           HB       THR 103  -7.298   6.822  -0.244
  814    HG1  THR 103           HG1      THR 103 -10.038   7.520  -0.331
  815   1HG2  THR 103          1HG2      THR 103  -8.728   9.436  -0.519
  816   2HG2  THR 103          2HG2      THR 103  -6.993   9.220  -0.744
  817   3HG2  THR 103          3HG2      THR 103  -7.725   8.909   0.831
  818    H    LEU 104           H        LEU 104  -7.144   4.916  -2.181
  819    HA   LEU 104           HA       LEU 104  -4.456   5.640  -2.696
  820   1HB   LEU 104          2HB       LEU 104  -5.923   3.017  -2.920
  821   2HB   LEU 104          1HB       LEU 104  -4.202   3.174  -3.217
  822    HG   LEU 104           HG       LEU 104  -5.630   3.694  -0.610
  823   1HD1  LEU 104          1HD1      LEU 104  -5.427   1.386  -0.825
  824   2HD1  LEU 104          2HD1      LEU 104  -3.991   1.844   0.091
  825   3HD1  LEU 104          3HD1      LEU 104  -3.864   1.503  -1.635
  826   1HD2  LEU 104          1HD2      LEU 104  -2.912   4.391  -1.568
  827   2HD2  LEU 104          2HD2      LEU 104  -3.063   3.766   0.074
  828   3HD2  LEU 104          3HD2      LEU 104  -3.951   5.213  -0.404
  829    H    GLN 105           H        GLN 105  -7.155   4.704  -4.755
  830    HA   GLN 105           HA       GLN 105  -5.611   4.387  -7.115
  831   1HB   GLN 105          2HB       GLN 105  -7.569   3.840  -8.127
  832   2HB   GLN 105          1HB       GLN 105  -8.134   3.721  -6.469
  833   1HG   GLN 105          2HG       GLN 105  -9.796   4.979  -7.378
  834   2HG   GLN 105          1HG       GLN 105  -8.717   6.255  -6.818
  835   1HE2  GLN 105          1HE2      GLN 105  -8.599   7.837  -8.224
  836   2HE2  GLN 105          2HE2      GLN 105  -8.565   7.679  -9.944
  837    H    GLN 106           H        GLN 106  -7.162   7.089  -5.574
  838    HA   GLN 106           HA       GLN 106  -6.974   8.897  -7.740
  839   1HB   GLN 106          2HB       GLN 106  -7.120   9.382  -4.760
  840   2HB   GLN 106          1HB       GLN 106  -7.211  10.660  -5.965
  841   1HG   GLN 106          2HG       GLN 106  -9.223   9.624  -6.900
  842   2HG   GLN 106          1HG       GLN 106  -9.139   8.368  -5.667
  843   1HE2  GLN 106          1HE2      GLN 106 -10.058  11.586  -6.399
  844   2HE2  GLN 106          2HE2      GLN 106 -10.736  11.981  -4.861
  845    H    ILE 107           H        ILE 107  -4.818   8.056  -5.084
  846    HA   ILE 107           HA       ILE 107  -2.882  10.042  -5.462
  847    HB   ILE 107           HB       ILE 107  -2.509   7.194  -4.515
  848   1HG1  ILE 107          2HG1      ILE 107  -2.723   9.701  -2.849
  849   2HG1  ILE 107          1HG1      ILE 107  -4.121   8.711  -3.252
  850   1HG2  ILE 107          1HG2      ILE 107  -0.648   9.129  -3.453
  851   2HG2  ILE 107          2HG2      ILE 107  -0.552   9.039  -5.212
  852   3HG2  ILE 107          3HG2      ILE 107  -0.342   7.582  -4.244
  853   1HD1  ILE 107          1HD1      ILE 107  -2.295   8.390  -1.130
  854   2HD1  ILE 107          2HD1      ILE 107  -2.091   7.017  -2.217
  855   3HD1  ILE 107          3HD1      ILE 107  -3.681   7.383  -1.547
  856    H    ILE 108           H        ILE 108  -3.254   6.838  -6.893
  857    HA   ILE 108           HA       ILE 108  -0.947   6.645  -8.410
  858    HB   ILE 108           HB       ILE 108  -3.624   5.826  -9.497
  859   1HG1  ILE 108          2HG1      ILE 108  -3.807   5.006  -7.318
  860   2HG1  ILE 108          1HG1      ILE 108  -3.186   3.638  -8.234
  861   1HG2  ILE 108          1HG2      ILE 108  -2.183   3.833 -10.207
  862   2HG2  ILE 108          2HG2      ILE 108  -0.810   4.865  -9.807
  863   3HG2  ILE 108          3HG2      ILE 108  -1.964   5.370 -11.042
  864   1HD1  ILE 108          1HD1      ILE 108  -1.591   3.461  -6.715
  865   2HD1  ILE 108          2HD1      ILE 108  -2.068   4.981  -5.960
  866   3HD1  ILE 108          3HD1      ILE 108  -0.931   4.985  -7.309
  867    H    SER 109           H        SER 109  -4.053   7.954  -9.318
  868    HA   SER 109           HA       SER 109  -3.480   8.818 -11.884
  869   1HB   SER 109          2HB       SER 109  -5.324  10.179  -9.911
  870   2HB   SER 109          1HB       SER 109  -5.380  10.335 -11.667
  871    HG   SER 109           HG       SER 109  -6.289   8.421 -11.824
  872    H    ARG 110           H        ARG 110  -2.635  10.264  -8.848
  873    HA   ARG 110           HA       ARG 110  -1.960  12.819  -9.883
  874   1HB   ARG 110          2HB       ARG 110  -1.096  11.473  -7.325
  875   2HB   ARG 110          1HB       ARG 110  -0.823  13.165  -7.711
  876   1HG   ARG 110          2HG       ARG 110  -3.266  13.493  -7.842
  877   2HG   ARG 110          1HG       ARG 110  -3.488  11.815  -7.343
  878   1HD   ARG 110          2HD       ARG 110  -2.163  12.349  -5.285
  879   2HD   ARG 110          1HD       ARG 110  -2.211  14.044  -5.770
  880    HE   ARG 110           HE       ARG 110  -4.804  12.822  -5.632
  881   1HH1  ARG 110          1HH1      ARG 110  -2.308  14.429  -3.797
  882   2HH1  ARG 110          2HH1      ARG 110  -3.395  14.983  -2.569
  883   1HH2  ARG 110          1HH2      ARG 110  -6.235  13.551  -4.017
  884   2HH2  ARG 110          2HH2      ARG 110  -5.624  14.486  -2.693
  885    H    TYR 111           H        TYR 111  -0.225   9.839  -9.393
  886    HA   TYR 111           HA       TYR 111   2.362  10.926  -9.892
  887   1HB   TYR 111          2HB       TYR 111   1.271   8.123  -9.827
  888   2HB   TYR 111          1HB       TYR 111   2.937   8.448 -10.295
  889    HD1  TYR 111           HD1      TYR 111   4.378   9.781  -8.620
  890    HD2  TYR 111           HD2      TYR 111   0.714   7.889  -7.578
  891    HE1  TYR 111           HE1      TYR 111   5.040   9.818  -6.253
  892    HE2  TYR 111           HE2      TYR 111   1.365   7.921  -5.206
  893    HH   TYR 111           HH       TYR 111   3.201   9.643  -3.825
  894    H    LYS 112           H        LYS 112  -0.179   9.628 -11.857
  895    HA   LYS 112           HA       LYS 112   1.373   9.318 -14.224
  896   1HB   LYS 112          2HB       LYS 112  -1.603   9.448 -13.752
  897   2HB   LYS 112          1HB       LYS 112  -0.889   9.175 -15.336
  898   1HG   LYS 112          2HG       LYS 112   0.219   7.155 -14.445
  899   2HG   LYS 112          1HG       LYS 112  -0.611   7.413 -12.909
  900   1HD   LYS 112          2HD       LYS 112  -2.419   7.465 -15.190
  901   2HD   LYS 112          1HD       LYS 112  -1.551   5.936 -15.045
  902   1HE   LYS 112          2HE       LYS 112  -2.514   5.424 -13.034
  903   2HE   LYS 112          1HE       LYS 112  -2.743   7.115 -12.590
  904   1HZ   LYS 112          1HZ       LYS 112  -4.283   5.895 -14.794
  905   2HZ   LYS 112          2HZ       LYS 112  -4.648   7.275 -13.887
  906   3HZ   LYS 112          3HZ       LYS 112  -4.792   5.742 -13.188
  907    H    ASP 113           H        ASP 113  -0.703  11.839 -12.902
  908    HA   ASP 113           HA       ASP 113  -0.831  13.508 -15.141
  909   1HB   ASP 113          2HB       ASP 113  -2.199  13.758 -13.066
  910   2HB   ASP 113          1HB       ASP 113  -0.771  14.378 -12.245
  911    H    ALA 114           H        ALA 114   1.619  13.188 -12.635
  912    HA   ALA 114           HA       ALA 114   3.131  15.470 -13.230
  913   1HB   ALA 114          1HB       ALA 114   3.646  14.439 -11.207
  914   2HB   ALA 114          2HB       ALA 114   5.038  14.068 -12.224
  915   3HB   ALA 114          3HB       ALA 114   3.797  12.846 -11.947
  916    H    ASP 115           H        ASP 115   3.030  12.296 -14.705
  917    HA   ASP 115           HA       ASP 115   5.175  13.099 -16.554
  918   1HB   ASP 115          2HB       ASP 115   4.117  10.357 -15.838
  919   2HB   ASP 115          1HB       ASP 115   5.300  10.656 -17.108
  Start of MODEL    4
    1    HT1  PRO   1           HT2      PRO   1 -14.134  12.839   2.065
    2    HT2  PRO   1           HT1      PRO   1 -14.806  11.337   2.517
    3    HA   PRO   1           HA       PRO   1 -12.303  12.392   3.056
    4   1HB   PRO   1          2HB       PRO   1 -12.882  11.528   5.635
    5   2HB   PRO   1          1HB       PRO   1 -12.656  13.208   5.131
    6   1HG   PRO   1          2HG       PRO   1 -15.178  11.683   5.566
    7   2HG   PRO   1          1HG       PRO   1 -14.838  13.398   5.845
    8   1HD   PRO   1          2HD       PRO   1 -16.285  12.521   3.720
    9   2HD   PRO   1          1HD       PRO   1 -15.263  13.970   3.644
   10    H    SER   2           H        SER   2 -12.040  10.561   1.632
   11    HA   SER   2           HA       SER   2 -12.586   7.934   2.797
   12   1HB   SER   2          2HB       SER   2 -12.231   7.023   0.620
   13   2HB   SER   2          1HB       SER   2 -13.194   8.483   0.395
   14    HG   SER   2           HG       SER   2 -11.439   9.534  -0.381
   15    H    HIS   3           H        HIS   3 -10.419   9.812   3.696
   16    HA   HIS   3           HA       HIS   3  -8.009   8.336   2.973
   17   1HB   HIS   3          2HB       HIS   3  -8.502  10.897   4.479
   18   2HB   HIS   3          1HB       HIS   3  -6.926  10.113   4.481
   19    HD1  HIS   3           HD1      HIS   3  -9.410  11.002   1.724
   20    HD2  HIS   3           HD2      HIS   3  -5.367  11.304   2.637
   21    HE1  HIS   3           HE1      HIS   3  -8.356  12.131  -0.260
   22    HE2  HIS   3           HE2      HIS   3  -5.896  12.225   0.279
   23    H    SER   4           H        SER   4  -6.511   7.664   4.698
   24    HA   SER   4           HA       SER   4  -6.028   6.372   6.508
   25   1HB   SER   4          2HB       SER   4  -6.695   7.172   8.609
   26   2HB   SER   4          1HB       SER   4  -6.786   8.604   7.585
   27    HG   SER   4           HG       SER   4  -8.699   8.606   8.589
   28    H    GLY   5           H        GLY   5  -7.004   4.808   8.150
   29   1HA   GLY   5          2HA       GLY   5  -9.408   3.739   8.389
   30   2HA   GLY   5          1HA       GLY   5  -9.039   3.258   6.739
   31    H    ALA   6           H        ALA   6  -9.396   1.729   9.327
   32    HA   ALA   6           HA       ALA   6  -6.906   0.677  10.102
   33   1HB   ALA   6          1HB       ALA   6  -8.855   0.429  11.509
   34   2HB   ALA   6          2HB       ALA   6  -8.185  -1.154  11.106
   35   3HB   ALA   6          3HB       ALA   6  -9.637  -0.577  10.286
   36    H    ALA   7           H        ALA   7  -5.725  -1.018   9.422
   37    HA   ALA   7           HA       ALA   7  -6.718  -2.843   7.424
   38   1HB   ALA   7          1HB       ALA   7  -4.933  -2.340   5.796
   39   2HB   ALA   7          2HB       ALA   7  -4.470  -0.947   6.777
   40   3HB   ALA   7          3HB       ALA   7  -6.060  -0.999   6.012
   41    H    ILE   8           H        ILE   8  -5.503  -4.741   7.228
   42    HA   ILE   8           HA       ILE   8  -3.550  -5.143   9.371
   43    HB   ILE   8           HB       ILE   8  -4.772  -7.204   7.543
   44   1HG1  ILE   8          2HG1      ILE   8  -5.608  -6.657  10.380
   45   2HG1  ILE   8          1HG1      ILE   8  -6.404  -5.899   9.001
   46   1HG2  ILE   8          1HG2      ILE   8  -3.751  -7.847  10.252
   47   2HG2  ILE   8          2HG2      ILE   8  -2.574  -7.563   8.973
   48   3HG2  ILE   8          3HG2      ILE   8  -3.782  -8.829   8.789
   49   1HD1  ILE   8          1HD1      ILE   8  -7.350  -8.091   9.997
   50   2HD1  ILE   8          2HD1      ILE   8  -6.052  -8.850   9.067
   51   3HD1  ILE   8          3HD1      ILE   8  -7.275  -7.873   8.247
   52    H    PHE   9           H        PHE   9  -1.501  -5.855   9.035
   53    HA   PHE   9           HA       PHE   9  -0.590  -6.389   6.323
   54   1HB   PHE   9          2HB       PHE   9  -0.246  -3.981   6.579
   55   2HB   PHE   9          1HB       PHE   9   0.650  -4.252   8.066
   56    HD1  PHE   9           HD1      PHE   9   2.897  -3.932   7.840
   57    HD2  PHE   9           HD2      PHE   9   0.736  -5.655   4.608
   58    HE1  PHE   9           HE1      PHE   9   4.985  -4.119   6.550
   59    HE2  PHE   9           HE2      PHE   9   2.819  -5.846   3.309
   60    HZ   PHE   9           HZ       PHE   9   4.947  -5.077   4.282
   61    H    GLU  10           H        GLU  10   0.149  -8.378   6.614
   62    HA   GLU  10           HA       GLU  10   1.600 -10.026   7.210
   63   1HB   GLU  10          2HB       GLU  10   2.743  -8.133   9.260
   64   2HB   GLU  10          1HB       GLU  10   3.479  -9.605   8.648
   65   1HG   GLU  10          2HG       GLU  10   3.608  -8.567   6.412
   66   2HG   GLU  10          1HG       GLU  10   2.972  -7.075   7.101
   67    H    LYS  11           H        LYS  11  -0.909 -10.154   8.132
   68    HA   LYS  11           HA       LYS  11  -2.234 -11.188   9.621
   69   1HB   LYS  11          2HB       LYS  11   0.482 -12.141  10.339
   70   2HB   LYS  11          1HB       LYS  11  -0.866 -12.572  11.385
   71   1HG   LYS  11          2HG       LYS  11  -1.964 -13.728   9.641
   72   2HG   LYS  11          1HG       LYS  11  -0.881 -13.046   8.423
   73   1HD   LYS  11          2HD       LYS  11   0.996 -14.283   9.423
   74   2HD   LYS  11          1HD       LYS  11  -0.109 -14.983  10.608
   75   1HE   LYS  11          2HE       LYS  11   0.362 -16.509   8.730
   76   2HE   LYS  11          1HE       LYS  11  -1.347 -16.095   8.859
   77   1HZ   LYS  11          1HZ       LYS  11  -1.277 -14.831   6.967
   78   2HZ   LYS  11          2HZ       LYS  11  -0.154 -16.031   6.569
   79   3HZ   LYS  11          3HZ       LYS  11   0.380 -14.512   7.086
   80    H    VAL  12           H        VAL  12  -0.797  -8.468  10.323
   81    HA   VAL  12           HA       VAL  12  -1.780  -8.443  13.070
   82    HB   VAL  12           HB       VAL  12   0.538  -6.844  11.985
   83   1HG1  VAL  12          1HG1      VAL  12  -0.867  -5.624  13.633
   84   2HG1  VAL  12          2HG1      VAL  12   0.780  -5.919  14.190
   85   3HG1  VAL  12          3HG1      VAL  12  -0.546  -6.911  14.796
   86   1HG2  VAL  12          1HG2      VAL  12   0.634  -9.422  12.740
   87   2HG2  VAL  12          2HG2      VAL  12   0.886  -8.634  14.298
   88   3HG2  VAL  12          3HG2      VAL  12   1.972  -8.293  12.951
   89    H    SER  13           H        SER  13  -3.191  -6.800  13.568
   90    HA   SER  13           HA       SER  13  -4.007  -5.157  11.281
   91   1HB   SER  13          2HB       SER  13  -5.706  -6.629  12.372
   92   2HB   SER  13          1HB       SER  13  -5.526  -5.679  13.847
   93    HG   SER  13           HG       SER  13  -6.610  -4.081  12.967
   94    H    GLY  14           H        GLY  14  -4.262  -2.998  11.373
   95   1HA   GLY  14          2HA       GLY  14  -3.866  -1.470  13.766
   96   2HA   GLY  14          1HA       GLY  14  -2.473  -1.424  12.691
   97    H    ILE  15           H        ILE  15  -3.413   0.959  13.009
   98    HA   ILE  15           HA       ILE  15  -5.512   1.486  11.064
   99    HB   ILE  15           HB       ILE  15  -4.078   3.320  12.978
  100   1HG1  ILE  15          2HG1      ILE  15  -6.275   1.531  13.238
  101   2HG1  ILE  15          1HG1      ILE  15  -5.632   2.646  14.441
  102   1HG2  ILE  15          1HG2      ILE  15  -5.728   5.030  12.302
  103   2HG2  ILE  15          2HG2      ILE  15  -6.288   3.953  11.024
  104   3HG2  ILE  15          3HG2      ILE  15  -4.640   4.578  10.989
  105   1HD1  ILE  15          1HD1      ILE  15  -7.113   4.407  13.473
  106   2HD1  ILE  15          2HD1      ILE  15  -7.963   3.052  14.212
  107   3HD1  ILE  15          3HD1      ILE  15  -7.833   3.159  12.457
  108    H    ILE  16           H        ILE  16  -5.176   2.136   9.076
  109    HA   ILE  16           HA       ILE  16  -2.440   2.762   8.241
  110    HB   ILE  16           HB       ILE  16  -4.689   1.319   7.054
  111   1HG1  ILE  16          2HG1      ILE  16  -1.716   1.466   6.550
  112   2HG1  ILE  16          1HG1      ILE  16  -2.603   0.236   7.439
  113   1HG2  ILE  16          1HG2      ILE  16  -4.117   2.006   4.693
  114   2HG2  ILE  16          2HG2      ILE  16  -3.290   3.404   5.381
  115   3HG2  ILE  16          3HG2      ILE  16  -5.024   3.193   5.629
  116   1HD1  ILE  16          1HD1      ILE  16  -1.897   0.265   4.707
  117   2HD1  ILE  16          2HD1      ILE  16  -3.657   0.348   4.810
  118   3HD1  ILE  16          3HD1      ILE  16  -2.787  -0.967   5.601
  119    H    ALA  17           H        ALA  17  -1.949   4.832   7.965
  120    HA   ALA  17           HA       ALA  17  -4.104   6.722   7.289
  121   1HB   ALA  17          1HB       ALA  17  -2.649   8.466   8.256
  122   2HB   ALA  17          2HB       ALA  17  -1.482   7.218   8.694
  123   3HB   ALA  17          3HB       ALA  17  -3.088   7.219   9.424
  124    H    ILE  18           H        ILE  18  -3.854   8.142   5.599
  125    HA   ILE  18           HA       ILE  18  -1.614   7.562   3.793
  126    HB   ILE  18           HB       ILE  18  -4.479   8.107   3.378
  127   1HG1  ILE  18          2HG1      ILE  18  -2.473   6.812   1.539
  128   2HG1  ILE  18          1HG1      ILE  18  -3.195   5.969   2.906
  129   1HG2  ILE  18          1HG2      ILE  18  -3.749  10.152   2.436
  130   2HG2  ILE  18          2HG2      ILE  18  -4.065   9.054   1.093
  131   3HG2  ILE  18          3HG2      ILE  18  -2.406   9.369   1.603
  132   1HD1  ILE  18          1HD1      ILE  18  -4.449   6.880   0.365
  133   2HD1  ILE  18          2HD1      ILE  18  -5.438   6.702   1.814
  134   3HD1  ILE  18          3HD1      ILE  18  -4.550   5.317   1.177
  135    H    ASN  19           H        ASN  19  -0.066   9.047   3.745
  136    HA   ASN  19           HA       ASN  19  -0.771  11.838   4.353
  137   1HB   ASN  19          2HB       ASN  19   1.619  12.125   4.956
  138   2HB   ASN  19          1HB       ASN  19   0.802  10.927   5.956
  139   1HD2  ASN  19          1HD2      ASN  19   1.437   8.824   5.881
  140   2HD2  ASN  19          2HD2      ASN  19   2.818   8.273   5.001
  141    H    GLU  20           H        GLU  20  -1.024  12.968   2.557
  142    HA   GLU  20           HA       GLU  20   0.796  12.472   0.302
  143   1HB   GLU  20          2HB       GLU  20  -1.016  13.876  -0.940
  144   2HB   GLU  20          1HB       GLU  20  -1.322  12.182  -0.581
  145   1HG   GLU  20          2HG       GLU  20  -2.665  12.797   1.335
  146   2HG   GLU  20          1HG       GLU  20  -2.298  14.501   1.071
  147    H    ASP  21           H        ASP  21   0.423  14.498   2.854
  148    HA   ASP  21           HA       ASP  21   0.777  17.047   1.710
  149   1HB   ASP  21          2HB       ASP  21   1.483  15.982   4.446
  150   2HB   ASP  21          1HB       ASP  21   1.580  17.684   3.998
  151    H    VAL  22           H        VAL  22   2.921  14.408   2.125
  152    HA   VAL  22           HA       VAL  22   5.263  16.104   1.928
  153    HB   VAL  22           HB       VAL  22   5.004  13.967   3.422
  154   1HG1  VAL  22          1HG1      VAL  22   4.621  12.683   1.122
  155   2HG1  VAL  22          2HG1      VAL  22   5.353  11.922   2.535
  156   3HG1  VAL  22          3HG1      VAL  22   6.376  12.539   1.236
  157   1HG2  VAL  22          1HG2      VAL  22   7.138  14.367   3.865
  158   2HG2  VAL  22          2HG2      VAL  22   7.144  15.460   2.481
  159   3HG2  VAL  22          3HG2      VAL  22   7.642  13.779   2.281
  160    H    SER  23           H        SER  23   6.918  14.322   0.506
  161    HA   SER  23           HA       SER  23   5.768  13.671  -2.017
  162   1HB   SER  23          2HB       SER  23   7.514  15.425  -3.094
  163   2HB   SER  23          1HB       SER  23   5.815  15.802  -2.811
  164    HG   SER  23           HG       SER  23   7.152  17.419  -1.949
  165    HA   PRO  24           HA       PRO  24   5.947  12.178  -3.250
  166   1HB   PRO  24          2HB       PRO  24   6.638   9.387  -2.800
  167   2HB   PRO  24          1HB       PRO  24   6.466  10.257  -4.325
  168   1HG   PRO  24          2HG       PRO  24   8.857   9.366  -3.393
  169   2HG   PRO  24          1HG       PRO  24   8.691  10.806  -4.416
  170   1HD   PRO  24          2HD       PRO  24   9.037  10.621  -1.444
  171   2HD   PRO  24          1HD       PRO  24   9.788  11.744  -2.599
  172    H    ALA  25           H        ALA  25   3.967  11.418  -2.501
  173    HA   ALA  25           HA       ALA  25   3.418  11.551   0.221
  174   1HB   ALA  25          1HB       ALA  25   1.722  11.813  -1.529
  175   2HB   ALA  25          2HB       ALA  25   1.230  10.622  -0.326
  176   3HB   ALA  25          3HB       ALA  25   1.831  10.092  -1.896
  177    H    GLU  26           H        GLU  26   2.348   9.689   1.492
  178    HA   GLU  26           HA       GLU  26   3.381   7.048   0.947
  179   1HB   GLU  26          2HB       GLU  26   4.346   8.582   3.366
  180   2HB   GLU  26          1HB       GLU  26   4.605   6.865   3.091
  181   1HG   GLU  26          2HG       GLU  26   5.849   7.435   1.025
  182   2HG   GLU  26          1HG       GLU  26   5.677   9.139   1.441
  183    H    LEU  27           H        LEU  27   2.652   5.445   2.526
  184    HA   LEU  27           HA       LEU  27   0.213   6.307   3.941
  185   1HB   LEU  27          2HB       LEU  27  -0.228   4.951   1.906
  186   2HB   LEU  27          1HB       LEU  27   0.710   3.645   2.605
  187    HG   LEU  27           HG       LEU  27  -1.672   4.736   4.060
  188   1HD1  LEU  27          1HD1      LEU  27  -1.642   2.861   1.722
  189   2HD1  LEU  27          2HD1      LEU  27  -2.688   4.249   2.019
  190   3HD1  LEU  27          3HD1      LEU  27  -2.898   2.773   2.959
  191   1HD2  LEU  27          1HD2      LEU  27  -0.476   3.287   5.421
  192   2HD2  LEU  27          2HD2      LEU  27  -0.052   2.219   4.083
  193   3HD2  LEU  27          3HD2      LEU  27  -1.700   2.239   4.708
  194    H    THR  28           H        THR  28   0.528   6.207   6.073
  195    HA   THR  28           HA       THR  28   2.536   4.502   7.208
  196    HB   THR  28           HB       THR  28   0.791   6.015   8.994
  197    HG1  THR  28           HG1      THR  28   2.271   7.417   7.033
  198   1HG2  THR  28          1HG2      THR  28   3.717   6.255   8.423
  199   2HG2  THR  28          2HG2      THR  28   3.009   5.184   9.630
  200   3HG2  THR  28          3HG2      THR  28   2.855   6.933   9.802
  201    H    TRP  29           H        TRP  29   2.173   2.910   8.746
  202    HA   TRP  29           HA       TRP  29  -0.586   2.037   9.176
  203   1HB   TRP  29          2HB       TRP  29   0.375   0.586   7.449
  204   2HB   TRP  29          1HB       TRP  29   1.753   0.242   8.493
  205    HD1  TRP  29           HD1      TRP  29  -2.061   0.103   9.134
  206    HE1  TRP  29           HE1      TRP  29  -2.622  -2.193  10.174
  207    HE3  TRP  29           HE3      TRP  29   2.622  -1.946   9.161
  208    HZ2  TRP  29           HZ2      TRP  29  -1.256  -4.527  10.904
  209    HZ3  TRP  29           HZ3      TRP  29   2.905  -4.225  10.055
  210    HH2  TRP  29           HH2      TRP  29   0.992  -5.493  10.906
  211    H    ARG  30           H        ARG  30  -0.900   2.301  11.291
  212    HA   ARG  30           HA       ARG  30   1.309   1.634  13.121
  213   1HB   ARG  30          2HB       ARG  30  -1.152   3.350  13.486
  214   2HB   ARG  30          1HB       ARG  30  -0.118   2.871  14.824
  215   1HG   ARG  30          2HG       ARG  30   1.765   4.014  13.812
  216   2HG   ARG  30          1HG       ARG  30   0.772   4.452  12.421
  217   1HD   ARG  30          2HD       ARG  30   0.286   5.309  15.274
  218   2HD   ARG  30          1HD       ARG  30   0.999   6.307  14.010
  219    HE   ARG  30           HE       ARG  30  -1.090   6.580  13.059
  220   1HH1  ARG  30          1HH1      ARG  30  -1.257   4.255  15.662
  221   2HH1  ARG  30          2HH1      ARG  30  -2.986   4.256  15.715
  222   1HH2  ARG  30          1HH2      ARG  30  -3.363   6.579  13.134
  223   2HH2  ARG  30          2HH2      ARG  30  -4.182   5.572  14.283
  224    H    SER  31           H        SER  31   1.159  -0.160  14.357
  225    HA   SER  31           HA       SER  31  -0.893  -2.021  13.983
  226   1HB   SER  31          2HB       SER  31   0.128  -3.226  15.908
  227   2HB   SER  31          1HB       SER  31   1.315  -2.723  14.704
  228    HG   SER  31           HG       SER  31   1.774  -2.304  17.034
  229    H    THR  32           H        THR  32  -2.315  -2.917  15.660
  230    HA   THR  32           HA       THR  32  -4.063  -1.005  16.688
  231    HB   THR  32           HB       THR  32  -3.665  -3.931  16.851
  232    HG1  THR  32           HG1      THR  32  -5.655  -3.937  15.961
  233   1HG2  THR  32          1HG2      THR  32  -5.559  -4.212  18.392
  234   2HG2  THR  32          2HG2      THR  32  -5.451  -2.495  18.779
  235   3HG2  THR  32          3HG2      THR  32  -4.103  -3.570  19.149
  236    H    ASP  33           H        ASP  33  -1.331  -2.664  18.015
  237    HA   ASP  33           HA       ASP  33  -1.786  -1.939  20.730
  238   1HB   ASP  33          2HB       ASP  33   0.696  -2.927  19.327
  239   2HB   ASP  33          1HB       ASP  33   0.571  -2.702  21.069
  240    H    GLY  34           H        GLY  34  -0.086  -0.531  18.052
  241   1HA   GLY  34          2HA       GLY  34   0.532   1.696  17.784
  242   2HA   GLY  34          1HA       GLY  34   0.131   1.982  19.472
  243    H    ASP  35           H        ASP  35   2.191  -0.653  18.591
  244    HA   ASP  35           HA       ASP  35   4.459   0.782  19.781
  245   1HB   ASP  35          2HB       ASP  35   3.860  -2.177  19.663
  246   2HB   ASP  35          1HB       ASP  35   5.372  -1.504  20.263
  247    H    LYS  36           H        LYS  36   3.309  -0.758  16.942
  248    HA   LYS  36           HA       LYS  36   5.964  -0.441  15.712
  249   1HB   LYS  36          2HB       LYS  36   4.215  -2.774  15.789
  250   2HB   LYS  36          1HB       LYS  36   4.660  -2.322  14.150
  251   1HG   LYS  36          2HG       LYS  36   7.041  -2.354  14.846
  252   2HG   LYS  36          1HG       LYS  36   6.528  -2.961  16.422
  253   1HD   LYS  36          2HD       LYS  36   5.458  -4.885  15.265
  254   2HD   LYS  36          1HD       LYS  36   6.142  -4.301  13.747
  255   1HE   LYS  36          2HE       LYS  36   8.358  -4.662  14.502
  256   2HE   LYS  36          1HE       LYS  36   7.825  -4.916  16.163
  257   1HZ   LYS  36          1HZ       LYS  36   6.485  -6.849  14.996
  258   2HZ   LYS  36          2HZ       LYS  36   8.080  -7.059  15.517
  259   3HZ   LYS  36          3HZ       LYS  36   7.760  -6.744  13.886
  260    H    VAL  37           H        VAL  37   6.021   0.903  14.041
  261    HA   VAL  37           HA       VAL  37   3.496   1.504  12.642
  262    HB   VAL  37           HB       VAL  37   5.698   3.500  13.172
  263   1HG1  VAL  37          1HG1      VAL  37   3.928   5.123  12.482
  264   2HG1  VAL  37          2HG1      VAL  37   2.934   3.748  12.000
  265   3HG1  VAL  37          3HG1      VAL  37   4.473   4.048  11.194
  266   1HG2  VAL  37          1HG2      VAL  37   3.339   2.716  14.770
  267   2HG2  VAL  37          2HG2      VAL  37   3.634   4.446  14.597
  268   3HG2  VAL  37          3HG2      VAL  37   4.881   3.402  15.282
  269    H    HIS  38           H        HIS  38   3.557   1.028  10.564
  270    HA   HIS  38           HA       HIS  38   6.180   0.880   9.229
  271   1HB   HIS  38          2HB       HIS  38   4.944  -1.239   9.279
  272   2HB   HIS  38          1HB       HIS  38   3.597  -0.465   8.456
  273    HD1  HIS  38           HD1      HIS  38   6.387  -2.536   7.758
  274    HD2  HIS  38           HD2      HIS  38   4.576   0.660   5.817
  275    HE1  HIS  38           HE1      HIS  38   7.128  -2.698   5.360
  276    HE2  HIS  38           HE2      HIS  38   5.956  -0.801   4.189
  277    H    THR  39           H        THR  39   6.526   1.869   7.320
  278    HA   THR  39           HA       THR  39   4.443   3.755   6.429
  279    HB   THR  39           HB       THR  39   7.412   4.126   6.063
  280    HG1  THR  39           HG1      THR  39   5.726   5.001   8.159
  281   1HG2  THR  39          1HG2      THR  39   6.853   6.474   5.784
  282   2HG2  THR  39          2HG2      THR  39   5.141   6.094   5.969
  283   3HG2  THR  39          3HG2      THR  39   6.036   5.475   4.581
  284    H    VAL  40           H        VAL  40   3.802   3.687   4.363
  285    HA   VAL  40           HA       VAL  40   5.266   1.891   2.540
  286    HB   VAL  40           HB       VAL  40   2.333   2.588   2.402
  287   1HG1  VAL  40          1HG1      VAL  40   2.148   1.106   0.660
  288   2HG1  VAL  40          2HG1      VAL  40   3.582   0.197   1.136
  289   3HG1  VAL  40          3HG1      VAL  40   3.753   1.772   0.360
  290   1HG2  VAL  40          1HG2      VAL  40   3.086   1.279   4.462
  291   2HG2  VAL  40          2HG2      VAL  40   3.447  -0.036   3.343
  292   3HG2  VAL  40          3HG2      VAL  40   1.799   0.577   3.480
  293    H    VAL  41           H        VAL  41   5.782   2.583   0.516
  294    HA   VAL  41           HA       VAL  41   5.475   5.439   0.005
  295    HB   VAL  41           HB       VAL  41   7.058   3.424  -1.596
  296   1HG1  VAL  41          1HG1      VAL  41   6.568   6.303  -1.801
  297   2HG1  VAL  41          2HG1      VAL  41   7.126   5.155  -3.018
  298   3HG1  VAL  41          3HG1      VAL  41   8.272   5.853  -1.873
  299   1HG2  VAL  41          1HG2      VAL  41   7.577   4.057   0.999
  300   2HG2  VAL  41          2HG2      VAL  41   8.510   5.287   0.148
  301   3HG2  VAL  41          3HG2      VAL  41   8.798   3.577  -0.181
  302    H    LEU  42           H        LEU  42   3.987   6.211  -1.334
  303    HA   LEU  42           HA       LEU  42   2.391   4.370  -2.911
  304   1HB   LEU  42          2HB       LEU  42   2.038   7.350  -2.714
  305   2HB   LEU  42          1HB       LEU  42   0.843   6.151  -3.168
  306    HG   LEU  42           HG       LEU  42   1.986   6.630  -0.418
  307   1HD1  LEU  42          1HD1      LEU  42  -0.091   7.869  -1.701
  308   2HD1  LEU  42          2HD1      LEU  42   0.110   7.746   0.048
  309   3HD1  LEU  42          3HD1      LEU  42  -0.904   6.583  -0.807
  310   1HD2  LEU  42          1HD2      LEU  42   0.703   4.260  -1.575
  311   2HD2  LEU  42          2HD2      LEU  42  -0.028   4.834  -0.076
  312   3HD2  LEU  42          3HD2      LEU  42   1.687   4.425  -0.121
  313    H    SER  43           H        SER  43   5.109   6.310  -3.433
  314    HA   SER  43           HA       SER  43   4.537   7.024  -6.159
  315   1HB   SER  43          2HB       SER  43   6.769   7.926  -6.212
  316   2HB   SER  43          1HB       SER  43   6.057   8.345  -4.654
  317    HG   SER  43           HG       SER  43   7.722   7.394  -3.816
  318    H    THR  44           H        THR  44   6.038   4.375  -4.482
  319    HA   THR  44           HA       THR  44   7.273   3.303  -6.853
  320    HB   THR  44           HB       THR  44   8.289   2.985  -4.624
  321    HG1  THR  44           HG1      THR  44   9.017   1.078  -5.182
  322   1HG2  THR  44          1HG2      THR  44   7.344   1.929  -2.883
  323   2HG2  THR  44          2HG2      THR  44   6.431   0.821  -3.907
  324   3HG2  THR  44          3HG2      THR  44   5.851   2.467  -3.649
  325    H    ILE  45           H        ILE  45   4.223   3.111  -5.313
  326    HA   ILE  45           HA       ILE  45   3.390   0.551  -6.155
  327    HB   ILE  45           HB       ILE  45   1.616   2.959  -5.749
  328   1HG1  ILE  45          2HG1      ILE  45   3.040   2.709  -3.798
  329   2HG1  ILE  45          1HG1      ILE  45   1.412   2.169  -3.405
  330   1HG2  ILE  45          1HG2      ILE  45  -0.157   1.520  -5.584
  331   2HG2  ILE  45          2HG2      ILE  45   0.850   0.161  -5.087
  332   3HG2  ILE  45          3HG2      ILE  45   0.830   0.673  -6.774
  333   1HD1  ILE  45          1HD1      ILE  45   2.562   0.460  -2.486
  334   2HD1  ILE  45          2HD1      ILE  45   3.928   0.641  -3.585
  335   3HD1  ILE  45          3HD1      ILE  45   2.460  -0.170  -4.129
  336    H    ASP  46           H        ASP  46   3.868   0.156  -8.289
  337    HA   ASP  46           HA       ASP  46   3.355   1.920 -10.422
  338   1HB   ASP  46          2HB       ASP  46   4.887  -0.049 -10.525
  339   2HB   ASP  46          1HB       ASP  46   3.475  -1.101 -10.531
  340    H    LYS  47           H        LYS  47   1.351  -0.375  -8.727
  341    HA   LYS  47           HA       LYS  47  -1.014   0.705  -9.951
  342   1HB   LYS  47          2HB       LYS  47  -0.053  -2.057 -10.628
  343   2HB   LYS  47          1HB       LYS  47  -1.774  -1.698 -10.595
  344   1HG   LYS  47          2HG       LYS  47  -1.495  -1.157 -12.740
  345   2HG   LYS  47          1HG       LYS  47  -0.821   0.348 -12.114
  346   1HD   LYS  47          2HD       LYS  47   0.866  -0.295 -13.524
  347   2HD   LYS  47          1HD       LYS  47   1.397  -1.070 -12.031
  348   1HE   LYS  47          2HE       LYS  47  -0.432  -2.657 -13.708
  349   2HE   LYS  47          1HE       LYS  47   1.156  -2.340 -14.409
  350   1HZ   LYS  47          1HZ       LYS  47   1.615  -4.214 -13.239
  351   2HZ   LYS  47          2HZ       LYS  47   0.445  -3.920 -12.054
  352   3HZ   LYS  47          3HZ       LYS  47   1.914  -3.084 -12.014
  353    H    LEU  48           H        LEU  48  -3.006  -0.359  -9.058
  354    HA   LEU  48           HA       LEU  48  -2.512  -1.581  -6.432
  355   1HB   LEU  48          2HB       LEU  48  -4.126  -0.188  -5.369
  356   2HB   LEU  48          1HB       LEU  48  -2.991   0.853  -6.207
  357    HG   LEU  48           HG       LEU  48  -5.702   0.110  -7.303
  358   1HD1  LEU  48          1HD1      LEU  48  -6.655   1.875  -6.276
  359   2HD1  LEU  48          2HD1      LEU  48  -5.183   2.845  -6.336
  360   3HD1  LEU  48          3HD1      LEU  48  -5.374   1.606  -5.095
  361   1HD2  LEU  48          1HD2      LEU  48  -4.989   2.440  -8.468
  362   2HD2  LEU  48          2HD2      LEU  48  -4.678   0.851  -9.168
  363   3HD2  LEU  48          3HD2      LEU  48  -3.408   1.683  -8.269
  364    H    GLN  49           H        GLN  49  -3.676  -3.359  -6.070
  365    HA   GLN  49           HA       GLN  49  -6.090  -3.801  -7.699
  366   1HB   GLN  49          2HB       GLN  49  -3.948  -5.801  -6.964
  367   2HB   GLN  49          1HB       GLN  49  -5.494  -6.233  -7.683
  368   1HG   GLN  49          2HG       GLN  49  -4.959  -4.940  -9.665
  369   2HG   GLN  49          1HG       GLN  49  -3.433  -4.436  -8.941
  370   1HE2  GLN  49          1HE2      GLN  49  -3.530  -5.690 -11.388
  371   2HE2  GLN  49          2HE2      GLN  49  -2.821  -7.261 -11.256
  372    H    ALA  50           H        ALA  50  -7.745  -5.064  -6.747
  373    HA   ALA  50           HA       ALA  50  -7.500  -5.598  -3.878
  374   1HB   ALA  50          1HB       ALA  50 -10.067  -4.396  -4.661
  375   2HB   ALA  50          2HB       ALA  50  -8.682  -3.305  -4.690
  376   3HB   ALA  50          3HB       ALA  50  -9.098  -4.163  -3.206
  377    H    THR  51           H        THR  51  -9.366  -6.887  -3.051
  378    HA   THR  51           HA       THR  51  -9.813  -9.124  -4.750
  379    HB   THR  51           HB       THR  51 -11.404  -9.788  -2.821
  380    HG1  THR  51           HG1      THR  51 -11.789  -7.932  -1.777
  381   1HG2  THR  51          1HG2      THR  51  -9.592 -10.968  -2.341
  382   2HG2  THR  51          2HG2      THR  51  -9.145  -9.656  -1.250
  383   3HG2  THR  51          3HG2      THR  51  -8.515  -9.688  -2.897
  384    HA   PRO  52           HA       PRO  52 -13.537  -7.899  -6.783
  385   1HB   PRO  52          2HB       PRO  52 -14.647 -10.325  -7.276
  386   2HB   PRO  52          1HB       PRO  52 -13.242  -9.717  -8.158
  387   1HG   PRO  52          2HG       PRO  52 -13.351 -11.632  -5.859
  388   2HG   PRO  52          1HG       PRO  52 -12.376 -11.714  -7.339
  389   1HD   PRO  52          2HD       PRO  52 -11.363 -10.868  -4.976
  390   2HD   PRO  52          1HD       PRO  52 -10.804 -10.231  -6.536
  391    H    ALA  53           H        ALA  53 -15.835  -7.842  -6.565
  392    HA   ALA  53           HA       ALA  53 -16.746  -7.736  -3.902
  393   1HB   ALA  53          1HB       ALA  53 -17.901  -7.295  -6.571
  394   2HB   ALA  53          2HB       ALA  53 -18.015  -6.319  -5.106
  395   3HB   ALA  53          3HB       ALA  53 -19.053  -7.732  -5.308
  396    H    SER  54           H        SER  54 -16.519 -10.350  -6.096
  397    HA   SER  54           HA       SER  54 -18.606 -11.906  -4.802
  398   1HB   SER  54          2HB       SER  54 -16.707 -12.540  -7.067
  399   2HB   SER  54          1HB       SER  54 -17.896 -13.680  -6.436
  400    HG   SER  54           HG       SER  54 -18.522 -11.108  -7.461
  401    H    SER  55           H        SER  55 -15.531 -11.125  -3.994
  402    HA   SER  55           HA       SER  55 -14.924 -13.766  -2.859
  403   1HB   SER  55          2HB       SER  55 -13.194 -11.408  -3.573
  404   2HB   SER  55          1HB       SER  55 -12.629 -12.647  -2.454
  405    HG   SER  55           HG       SER  55 -12.054 -13.614  -4.235
  406    H    GLU  56           H        GLU  56 -15.610 -13.997  -0.850
  407    HA   GLU  56           HA       GLU  56 -16.413 -11.955   0.864
  408   1HB   GLU  56          2HB       GLU  56 -17.032 -14.352   1.098
  409   2HB   GLU  56          1HB       GLU  56 -15.399 -14.691   1.653
  410   1HG   GLU  56          2HG       GLU  56 -15.766 -13.158   3.553
  411   2HG   GLU  56          1HG       GLU  56 -17.430 -12.938   3.016
  412    H    LYS  57           H        LYS  57 -13.271 -13.040   0.066
  413    HA   LYS  57           HA       LYS  57 -12.032 -12.030   2.485
  414   1HB   LYS  57          2HB       LYS  57 -10.852 -13.130  -0.071
  415   2HB   LYS  57          1HB       LYS  57  -9.904 -12.631   1.323
  416   1HG   LYS  57          2HG       LYS  57 -11.097 -14.323   2.682
  417   2HG   LYS  57          1HG       LYS  57 -11.917 -14.868   1.218
  418   1HD   LYS  57          2HD       LYS  57  -9.703 -15.339   0.208
  419   2HD   LYS  57          1HD       LYS  57  -8.945 -14.900   1.740
  420   1HE   LYS  57          2HE       LYS  57 -11.103 -16.897   1.912
  421   2HE   LYS  57          1HE       LYS  57  -9.652 -17.420   1.059
  422   1HZ   LYS  57          1HZ       LYS  57  -9.468 -17.951   3.380
  423   2HZ   LYS  57          2HZ       LYS  57  -9.777 -16.348   3.825
  424   3HZ   LYS  57          3HZ       LYS  57  -8.349 -16.739   3.008
  425    H    MET  58           H        MET  58 -12.494  -9.838   2.511
  426    HA   MET  58           HA       MET  58 -11.925  -8.163   0.242
  427   1HB   MET  58          2HB       MET  58 -12.559  -6.313   1.707
  428   2HB   MET  58          1HB       MET  58 -13.742  -7.610   1.795
  429   1HG   MET  58          2HG       MET  58 -12.381  -8.378   3.858
  430   2HG   MET  58          1HG       MET  58 -11.744  -6.733   3.832
  431   1HE   MET  58          1HE       MET  58 -16.192  -7.820   4.394
  432   2HE   MET  58          2HE       MET  58 -14.889  -9.007   4.450
  433   3HE   MET  58          3HE       MET  58 -15.273  -8.190   2.934
  434    H    MET  59           H        MET  59  -9.840  -7.969  -0.315
  435    HA   MET  59           HA       MET  59  -8.008  -6.834   1.653
  436   1HB   MET  59          2HB       MET  59  -7.313  -9.263  -0.009
  437   2HB   MET  59          1HB       MET  59  -6.214  -8.396   1.054
  438   1HG   MET  59          2HG       MET  59  -7.696  -8.976   2.960
  439   2HG   MET  59          1HG       MET  59  -8.651  -9.965   1.856
  440   1HE   MET  59          1HE       MET  59  -6.677 -12.478   4.150
  441   2HE   MET  59          2HE       MET  59  -8.180 -12.422   3.230
  442   3HE   MET  59          3HE       MET  59  -7.782 -11.117   4.347
  443    H    LEU  60           H        LEU  60  -6.466  -5.480   0.784
  444    HA   LEU  60           HA       LEU  60  -6.658  -5.035  -2.125
  445   1HB   LEU  60          2HB       LEU  60  -7.564  -3.201  -0.726
  446   2HB   LEU  60          1HB       LEU  60  -5.992  -3.028   0.030
  447    HG   LEU  60           HG       LEU  60  -5.177  -2.659  -2.443
  448   1HD1  LEU  60          1HD1      LEU  60  -6.925  -2.874  -3.854
  449   2HD1  LEU  60          2HD1      LEU  60  -7.203  -1.190  -3.412
  450   3HD1  LEU  60          3HD1      LEU  60  -8.115  -2.473  -2.617
  451   1HD2  LEU  60          1HD2      LEU  60  -6.674  -0.316  -1.456
  452   2HD2  LEU  60          2HD2      LEU  60  -4.973  -0.478  -1.889
  453   3HD2  LEU  60          3HD2      LEU  60  -5.543  -1.055  -0.323
  454    H    ARG  61           H        ARG  61  -4.874  -5.388  -3.263
  455    HA   ARG  61           HA       ARG  61  -2.294  -5.462  -1.841
  456   1HB   ARG  61          2HB       ARG  61  -1.606  -6.915  -3.848
  457   2HB   ARG  61          1HB       ARG  61  -2.654  -7.635  -2.632
  458   1HG   ARG  61          2HG       ARG  61  -4.510  -7.590  -4.019
  459   2HG   ARG  61          1HG       ARG  61  -3.818  -6.350  -5.067
  460   1HD   ARG  61          2HD       ARG  61  -3.715  -8.372  -6.286
  461   2HD   ARG  61          1HD       ARG  61  -2.074  -8.053  -5.724
  462    HE   ARG  61           HE       ARG  61  -2.179  -9.944  -4.433
  463   1HH1  ARG  61          1HH1      ARG  61  -5.394  -9.124  -5.517
  464   2HH1  ARG  61          2HH1      ARG  61  -6.098 -10.601  -4.948
  465   1HH2  ARG  61          1HH2      ARG  61  -3.104 -11.887  -3.683
  466   2HH2  ARG  61          2HH2      ARG  61  -4.798 -12.169  -3.907
  467    H    LEU  62           H        LEU  62  -0.619  -4.273  -2.560
  468    HA   LEU  62           HA       LEU  62  -1.075  -2.646  -4.975
  469   1HB   LEU  62          2HB       LEU  62  -0.374  -1.896  -2.265
  470   2HB   LEU  62          1HB       LEU  62   0.822  -1.321  -3.411
  471    HG   LEU  62           HG       LEU  62  -1.068  -0.290  -4.723
  472   1HD1  LEU  62          1HD1      LEU  62  -2.870  -1.663  -3.783
  473   2HD1  LEU  62          2HD1      LEU  62  -3.183   0.063  -3.589
  474   3HD1  LEU  62          3HD1      LEU  62  -2.628  -0.893  -2.215
  475   1HD2  LEU  62          1HD2      LEU  62  -1.272   1.022  -2.117
  476   2HD2  LEU  62          2HD2      LEU  62  -0.663   1.636  -3.654
  477   3HD2  LEU  62          3HD2      LEU  62   0.383   0.670  -2.614
  478    H    ILE  63           H        ILE  63   0.370  -2.797  -6.544
  479    HA   ILE  63           HA       ILE  63   2.752  -4.429  -6.099
  480    HB   ILE  63           HB       ILE  63   1.691  -3.373  -8.721
  481   1HG1  ILE  63          2HG1      ILE  63   0.950  -5.873  -8.899
  482   2HG1  ILE  63          1HG1      ILE  63   1.023  -5.835  -7.139
  483   1HG2  ILE  63          1HG2      ILE  63   3.991  -4.986  -7.928
  484   2HG2  ILE  63          2HG2      ILE  63   3.688  -4.099  -9.421
  485   3HG2  ILE  63          3HG2      ILE  63   3.021  -5.718  -9.207
  486   1HD1  ILE  63          1HD1      ILE  63  -0.752  -4.396  -6.963
  487   2HD1  ILE  63          2HD1      ILE  63  -1.208  -5.343  -8.381
  488   3HD1  ILE  63          3HD1      ILE  63  -0.515  -3.732  -8.579
  489    H    GLY  64           H        GLY  64   4.783  -3.662  -6.154
  490   1HA   GLY  64          2HA       GLY  64   5.104  -0.770  -6.606
  491   2HA   GLY  64          1HA       GLY  64   6.167  -1.768  -5.628
  492    H    LYS  65           H        LYS  65   5.076  -1.288  -8.969
  493    HA   LYS  65           HA       LYS  65   6.120  -1.530 -10.969
  494   1HB   LYS  65          2HB       LYS  65   8.132  -0.456  -9.113
  495   2HB   LYS  65          1HB       LYS  65   8.786  -1.170 -10.582
  496   1HG   LYS  65          2HG       LYS  65   7.515   0.318 -11.950
  497   2HG   LYS  65          1HG       LYS  65   6.629   0.926 -10.550
  498   1HD   LYS  65          2HD       LYS  65   8.688   1.867  -9.641
  499   2HD   LYS  65          1HD       LYS  65   9.596   1.227 -11.013
  500   1HE   LYS  65          2HE       LYS  65   8.845   2.827 -12.429
  501   2HE   LYS  65          1HE       LYS  65   7.262   2.920 -11.656
  502   1HZ   LYS  65          1HZ       LYS  65   8.131   4.278  -9.948
  503   2HZ   LYS  65          2HZ       LYS  65   8.709   4.927 -11.397
  504   3HZ   LYS  65          3HZ       LYS  65   9.730   4.000 -10.420
  505    H    VAL  66           H        VAL  66   7.795  -2.773 -12.208
  506    HA   VAL  66           HA       VAL  66   8.548  -5.273 -10.857
  507    HB   VAL  66           HB       VAL  66   7.323  -5.160 -13.615
  508   1HG1  VAL  66          1HG1      VAL  66   7.444  -7.685 -12.110
  509   2HG1  VAL  66          2HG1      VAL  66   9.000  -7.036 -12.624
  510   3HG1  VAL  66          3HG1      VAL  66   7.745  -7.362 -13.817
  511   1HG2  VAL  66          1HG2      VAL  66   6.105  -5.940 -10.971
  512   2HG2  VAL  66          2HG2      VAL  66   5.389  -6.317 -12.538
  513   3HG2  VAL  66          3HG2      VAL  66   5.596  -4.636 -12.046
  514    H    ASP  67           H        ASP  67  10.504  -6.089 -11.417
  515    HA   ASP  67           HA       ASP  67  12.253  -4.408 -12.963
  516   1HB   ASP  67          2HB       ASP  67  12.708  -7.053 -11.568
  517   2HB   ASP  67          1HB       ASP  67  13.975  -6.133 -12.376
  518    H    GLU  68           H        GLU  68  11.799  -4.460 -15.107
  519    HA   GLU  68           HA       GLU  68  11.833  -7.097 -16.422
  520   1HB   GLU  68          2HB       GLU  68  10.514  -4.541 -17.353
  521   2HB   GLU  68          1HB       GLU  68  10.541  -6.054 -18.248
  522   1HG   GLU  68          2HG       GLU  68   9.304  -7.130 -16.408
  523   2HG   GLU  68          1HG       GLU  68   9.221  -5.571 -15.586
  524    H    SER  69           H        SER  69  14.203  -5.753 -15.735
  525    HA   SER  69           HA       SER  69  15.169  -4.507 -18.187
  526   1HB   SER  69          2HB       SER  69  16.448  -4.920 -15.479
  527   2HB   SER  69          1HB       SER  69  17.278  -4.182 -16.848
  528    HG   SER  69           HG       SER  69  15.865  -2.492 -16.793
  529    H    LYS  70           H        LYS  70  14.578  -7.529 -17.628
  530    HA   LYS  70           HA       LYS  70  17.201  -8.612 -18.350
  531   1HB   LYS  70          2HB       LYS  70  14.641  -9.938 -17.455
  532   2HB   LYS  70          1HB       LYS  70  16.053 -10.833 -17.998
  533   1HG   LYS  70          2HG       LYS  70  17.372  -9.890 -16.187
  534   2HG   LYS  70          1HG       LYS  70  15.980  -8.942 -15.654
  535   1HD   LYS  70          2HD       LYS  70  16.142 -10.888 -14.262
  536   2HD   LYS  70          1HD       LYS  70  14.742 -11.080 -15.318
  537   1HE   LYS  70          2HE       LYS  70  17.312 -12.155 -16.308
  538   2HE   LYS  70          1HE       LYS  70  16.573 -12.999 -14.947
  539   1HZ   LYS  70          1HZ       LYS  70  14.472 -12.725 -16.542
  540   2HZ   LYS  70          2HZ       LYS  70  15.503 -14.065 -16.599
  541   3HZ   LYS  70          3HZ       LYS  70  15.694 -12.805 -17.711
  542    H    LYS  71           H        LYS  71  13.863  -8.434 -19.497
  543    HA   LYS  71           HA       LYS  71  12.921  -8.772 -21.539
  544   1HB   LYS  71          2HB       LYS  71  15.743  -8.081 -22.346
  545   2HB   LYS  71          1HB       LYS  71  14.468  -8.362 -23.525
  546   1HG   LYS  71          2HG       LYS  71  13.655  -6.317 -23.254
  547   2HG   LYS  71          1HG       LYS  71  13.618  -6.492 -21.498
  548   1HD   LYS  71          2HD       LYS  71  15.055  -4.639 -22.124
  549   2HD   LYS  71          1HD       LYS  71  16.014  -5.938 -21.413
  550   1HE   LYS  71          2HE       LYS  71  17.134  -5.033 -23.368
  551   2HE   LYS  71          1HE       LYS  71  16.633  -6.698 -23.662
  552   1HZ   LYS  71          1HZ       LYS  71  14.723  -5.870 -24.886
  553   2HZ   LYS  71          2HZ       LYS  71  16.158  -5.282 -25.559
  554   3HZ   LYS  71          3HZ       LYS  71  15.199  -4.272 -24.599
  555    H    ARG  72           H        ARG  72  12.247 -10.816 -21.721
  556    HA   ARG  72           HA       ARG  72  12.168 -13.001 -22.334
  557   1HB   ARG  72          2HB       ARG  72  14.026 -11.757 -24.142
  558   2HB   ARG  72          1HB       ARG  72  14.531 -13.410 -23.818
  559   1HG   ARG  72          2HG       ARG  72  12.434 -14.270 -24.568
  560   2HG   ARG  72          1HG       ARG  72  11.755 -12.647 -24.692
  561   1HD   ARG  72          2HD       ARG  72  12.320 -13.324 -26.895
  562   2HD   ARG  72          1HD       ARG  72  13.533 -12.145 -26.395
  563    HE   ARG  72           HE       ARG  72  14.660 -14.520 -25.742
  564   1HH1  ARG  72          1HH1      ARG  72  13.255 -13.262 -28.679
  565   2HH1  ARG  72          2HH1      ARG  72  14.272 -14.202 -29.717
  566   1HH2  ARG  72          1HH2      ARG  72  15.999 -15.757 -27.106
  567   2HH2  ARG  72          2HH2      ARG  72  15.830 -15.620 -28.824
  568    H    LYS  73           H        LYS  73  12.613 -14.760 -21.180
  569    HA   LYS  73           HA       LYS  73  15.040 -14.764 -19.547
  570   1HB   LYS  73          2HB       LYS  73  12.515 -16.416 -19.362
  571   2HB   LYS  73          1HB       LYS  73  13.890 -16.571 -18.276
  572   1HG   LYS  73          2HG       LYS  73  13.571 -14.212 -17.604
  573   2HG   LYS  73          1HG       LYS  73  12.128 -14.154 -18.618
  574   1HD   LYS  73          2HD       LYS  73  11.185 -16.027 -17.288
  575   2HD   LYS  73          1HD       LYS  73  12.591 -15.932 -16.226
  576   1HE   LYS  73          2HE       LYS  73  11.285 -14.546 -15.027
  577   2HE   LYS  73          1HE       LYS  73  11.788 -13.351 -16.222
  578   1HZ   LYS  73          1HZ       LYS  73   9.787 -13.586 -17.390
  579   2HZ   LYS  73          2HZ       LYS  73   9.325 -13.541 -15.764
  580   3HZ   LYS  73          3HZ       LYS  73   9.369 -15.016 -16.588
  581    H    ASP  74           H        ASP  74  16.473 -16.490 -19.492
  582    HA   ASP  74           HA       ASP  74  16.945 -17.815 -21.923
  583   1HB   ASP  74          2HB       ASP  74  18.043 -18.317 -19.155
  584   2HB   ASP  74          1HB       ASP  74  18.639 -19.123 -20.603
  585    H    ASN  75           H        ASN  75  15.108 -18.684 -19.130
  586    HA   ASN  75           HA       ASN  75  13.616 -20.363 -18.759
  587   1HB   ASN  75          2HB       ASN  75  14.302 -21.335 -21.532
  588   2HB   ASN  75          1HB       ASN  75  12.897 -21.790 -20.577
  589   1HD2  ASN  75          1HD2      ASN  75  13.461 -20.285 -23.209
  590   2HD2  ASN  75          2HD2      ASN  75  12.417 -18.912 -23.103
  591    H    GLU  76           H        GLU  76  16.844 -20.731 -19.068
  592    HA   GLU  76           HA       GLU  76  16.982 -23.608 -18.827
  593   1HB   GLU  76          2HB       GLU  76  18.738 -22.254 -19.990
  594   2HB   GLU  76          1HB       GLU  76  19.180 -21.572 -18.431
  595   1HG   GLU  76          2HG       GLU  76  19.713 -23.839 -17.624
  596   2HG   GLU  76          1HG       GLU  76  19.350 -24.468 -19.230
  597    H    GLY  77           H        GLY  77  15.365 -23.058 -16.887
  598   1HA   GLY  77          2HA       GLY  77  15.291 -23.822 -14.648
  599   2HA   GLY  77          1HA       GLY  77  16.991 -23.415 -14.479
  600    H    ASN  78           H        ASN  78  16.431 -20.743 -15.765
  601    HA   ASN  78           HA       ASN  78  15.518 -19.433 -13.310
  602   1HB   ASN  78          2HB       ASN  78  16.599 -17.421 -14.198
  603   2HB   ASN  78          1HB       ASN  78  17.724 -18.776 -14.172
  604   1HD2  ASN  78          1HD2      ASN  78  18.824 -17.282 -15.703
  605   2HD2  ASN  78          2HD2      ASN  78  18.434 -17.428 -17.380
  606    H    GLU  79           H        GLU  79  13.670 -20.644 -15.236
  607    HA   GLU  79           HA       GLU  79  12.448 -18.751 -16.892
  608   1HB   GLU  79          2HB       GLU  79  11.999 -21.190 -16.955
  609   2HB   GLU  79          1HB       GLU  79  11.123 -21.046 -15.438
  610   1HG   GLU  79          2HG       GLU  79   9.540 -19.506 -16.541
  611   2HG   GLU  79          1HG       GLU  79  10.389 -19.770 -18.063
  612    H    VAL  80           H        VAL  80  12.004 -19.464 -13.471
  613    HA   VAL  80           HA       VAL  80  10.488 -16.963 -13.214
  614    HB   VAL  80           HB       VAL  80   9.005 -18.023 -11.537
  615   1HG1  VAL  80          1HG1      VAL  80   7.565 -19.176 -13.129
  616   2HG1  VAL  80          2HG1      VAL  80   8.911 -19.317 -14.260
  617   3HG1  VAL  80          3HG1      VAL  80   8.265 -17.728 -13.851
  618   1HG2  VAL  80          1HG2      VAL  80  10.692 -20.358 -12.182
  619   2HG2  VAL  80          2HG2      VAL  80   8.968 -20.669 -11.987
  620   3HG2  VAL  80          3HG2      VAL  80   9.883 -19.923 -10.678
  621    H    VAL  81           H        VAL  81  10.980 -15.755 -11.449
  622    HA   VAL  81           HA       VAL  81  12.335 -16.869  -9.168
  623    HB   VAL  81           HB       VAL  81  14.285 -15.248  -9.401
  624   1HG1  VAL  81          1HG1      VAL  81  15.620 -16.891 -10.308
  625   2HG1  VAL  81          2HG1      VAL  81  14.429 -17.334 -11.532
  626   3HG1  VAL  81          3HG1      VAL  81  14.190 -17.818  -9.852
  627   1HG2  VAL  81          1HG2      VAL  81  14.910 -14.547 -11.626
  628   2HG2  VAL  81          2HG2      VAL  81  13.298 -13.937 -11.252
  629   3HG2  VAL  81          3HG2      VAL  81  13.488 -15.335 -12.310
  630    HA   PRO  82           HA       PRO  82  10.312 -13.423  -7.281
  631   1HB   PRO  82          2HB       PRO  82  11.763 -13.187  -5.000
  632   2HB   PRO  82          1HB       PRO  82  10.614 -14.503  -5.273
  633   1HG   PRO  82          2HG       PRO  82  13.594 -14.497  -5.573
  634   2HG   PRO  82          1HG       PRO  82  12.543 -15.728  -4.846
  635   1HD   PRO  82          2HD       PRO  82  13.535 -15.955  -7.355
  636   2HD   PRO  82          1HD       PRO  82  11.952 -16.612  -6.891
  637    H    LYS  83           H        LYS  83  10.506 -11.207  -6.971
  638    HA   LYS  83           HA       LYS  83  12.867  -9.761  -6.687
  639   1HB   LYS  83          2HB       LYS  83  12.303 -10.603  -9.424
  640   2HB   LYS  83          1HB       LYS  83  12.454  -8.858  -9.274
  641   1HG   LYS  83          2HG       LYS  83  14.603  -9.614  -7.859
  642   2HG   LYS  83          1HG       LYS  83  14.486 -10.971  -8.981
  643   1HD   LYS  83          2HD       LYS  83  14.200  -9.065 -10.762
  644   2HD   LYS  83          1HD       LYS  83  15.003  -8.086  -9.534
  645   1HE   LYS  83          2HE       LYS  83  16.799  -9.842  -9.460
  646   2HE   LYS  83          1HE       LYS  83  16.038 -10.580 -10.868
  647   1HZ   LYS  83          1HZ       LYS  83  17.658  -9.226 -11.779
  648   2HZ   LYS  83          2HZ       LYS  83  17.414  -7.980 -10.662
  649   3HZ   LYS  83          3HZ       LYS  83  16.281  -8.250 -11.887
  650    HA   PRO  84           HA       PRO  84   9.246  -6.815  -8.306
  651   1HB   PRO  84          2HB       PRO  84   7.064  -8.831  -8.088
  652   2HB   PRO  84          1HB       PRO  84   7.267  -7.512  -9.247
  653   1HG   PRO  84          2HG       PRO  84   7.731 -10.029  -9.968
  654   2HG   PRO  84          1HG       PRO  84   8.764  -8.711 -10.551
  655   1HD   PRO  84          2HD       PRO  84   9.301 -10.747  -8.436
  656   2HD   PRO  84          1HD       PRO  84  10.409 -10.031  -9.622
  657    H    GLN  85           H        GLN  85   8.512  -5.539  -6.714
  658    HA   GLN  85           HA       GLN  85   8.066  -6.745  -4.083
  659   1HB   GLN  85          2HB       GLN  85   8.566  -3.882  -4.911
  660   2HB   GLN  85          1HB       GLN  85   8.264  -4.394  -3.256
  661   1HG   GLN  85          2HG       GLN  85  10.269  -5.761  -3.290
  662   2HG   GLN  85          1HG       GLN  85  10.565  -5.308  -4.969
  663   1HE2  GLN  85          1HE2      GLN  85  12.454  -4.906  -3.010
  664   2HE2  GLN  85          2HE2      GLN  85  12.654  -3.211  -2.745
  665    H    ARG  86           H        ARG  86   6.053  -7.100  -3.445
  666    HA   ARG  86           HA       ARG  86   3.952  -5.216  -4.271
  667   1HB   ARG  86          2HB       ARG  86   3.757  -8.232  -4.240
  668   2HB   ARG  86          1HB       ARG  86   2.388  -7.150  -4.457
  669   1HG   ARG  86          2HG       ARG  86   3.453  -6.257  -6.492
  670   2HG   ARG  86          1HG       ARG  86   4.761  -7.423  -6.288
  671   1HD   ARG  86          2HD       ARG  86   3.040  -9.237  -6.369
  672   2HD   ARG  86          1HD       ARG  86   1.847  -8.009  -6.786
  673    HE   ARG  86           HE       ARG  86   4.130  -7.999  -8.520
  674   1HH1  ARG  86          1HH1      ARG  86   1.034  -9.489  -7.910
  675   2HH1  ARG  86          2HH1      ARG  86   0.801  -9.969  -9.557
  676   1HH2  ARG  86          1HH2      ARG  86   3.825  -8.630 -10.687
  677   2HH2  ARG  86          2HH2      ARG  86   2.385  -9.483 -11.134
  678    H    HIS  87           H        HIS  87   2.561  -4.607  -2.701
  679    HA   HIS  87           HA       HIS  87   2.988  -5.769  -0.035
  680   1HB   HIS  87          2HB       HIS  87   2.235  -3.036  -0.992
  681   2HB   HIS  87          1HB       HIS  87   1.708  -3.554   0.605
  682    HD1  HIS  87           HD1      HIS  87   3.453  -3.631   2.449
  683    HD2  HIS  87           HD2      HIS  87   5.053  -2.773  -1.288
  684    HE1  HIS  87           HE1      HIS  87   5.827  -2.922   2.882
  685    HE2  HIS  87           HE2      HIS  87   6.801  -2.491   0.598
  686    H    MET  88           H        MET  88   1.505  -7.229   0.493
  687    HA   MET  88           HA       MET  88  -1.212  -6.968  -0.559
  688   1HB   MET  88          2HB       MET  88   0.005  -9.128  -0.812
  689   2HB   MET  88          1HB       MET  88   0.029  -9.280   0.940
  690   1HG   MET  88          2HG       MET  88  -2.457  -9.224   0.913
  691   2HG   MET  88          1HG       MET  88  -2.390  -9.256  -0.848
  692   1HE   MET  88          1HE       MET  88  -0.074 -12.327  -1.254
  693   2HE   MET  88          2HE       MET  88  -0.557 -10.739  -1.853
  694   3HE   MET  88          3HE       MET  88  -1.587 -12.142  -2.140
  695    H    PHE  89           H        PHE  89  -2.595  -5.873   0.657
  696    HA   PHE  89           HA       PHE  89  -2.320  -5.999   3.582
  697   1HB   PHE  89          2HB       PHE  89  -3.575  -3.947   1.763
  698   2HB   PHE  89          1HB       PHE  89  -3.838  -3.955   3.504
  699    HD1  PHE  89           HD1      PHE  89  -1.722  -2.888   0.856
  700    HD2  PHE  89           HD2      PHE  89  -1.774  -3.843   5.002
  701    HE1  PHE  89           HE1      PHE  89   0.357  -1.612   1.169
  702    HE2  PHE  89           HE2      PHE  89   0.307  -2.565   5.325
  703    HZ   PHE  89           HZ       PHE  89   1.374  -1.447   3.407
  704    H    SER  90           H        SER  90  -4.154  -6.315   4.885
  705    HA   SER  90           HA       SER  90  -6.457  -7.514   3.487
  706   1HB   SER  90          2HB       SER  90  -5.296  -9.313   4.550
  707   2HB   SER  90          1HB       SER  90  -5.100  -8.393   6.040
  708    HG   SER  90           HG       SER  90  -7.330  -8.530   6.365
  709    H    PHE  91           H        PHE  91  -8.355  -6.578   3.881
  710    HA   PHE  91           HA       PHE  91  -8.505  -4.613   6.039
  711   1HB   PHE  91          2HB       PHE  91  -9.953  -4.994   3.452
  712   2HB   PHE  91          1HB       PHE  91 -10.721  -4.077   4.744
  713    HD1  PHE  91           HD1      PHE  91  -7.866  -4.207   2.444
  714    HD2  PHE  91           HD2      PHE  91  -9.968  -1.915   5.345
  715    HE1  PHE  91           HE1      PHE  91  -6.581  -2.218   1.785
  716    HE2  PHE  91           HE2      PHE  91  -8.687   0.089   4.693
  717    HZ   PHE  91           HZ       PHE  91  -6.991  -0.062   2.911
  718    H    ASN  92           H        ASN  92  -9.918  -4.720   7.675
  719    HA   ASN  92           HA       ASN  92 -11.411  -7.211   7.982
  720   1HB   ASN  92          2HB       ASN  92  -9.888  -6.442   9.806
  721   2HB   ASN  92          1HB       ASN  92 -10.914  -5.028  10.018
  722   1HD2  ASN  92          1HD2      ASN  92 -10.975  -8.560  10.030
  723   2HD2  ASN  92          2HD2      ASN  92 -12.208  -8.710  11.230
  724    H    ASN  93           H        ASN  93 -12.041  -4.412   6.543
  725    HA   ASN  93           HA       ASN  93 -14.869  -4.606   7.087
  726   1HB   ASN  93          2HB       ASN  93 -13.331  -2.045   7.528
  727   2HB   ASN  93          1HB       ASN  93 -15.087  -2.143   7.437
  728   1HD2  ASN  93          1HD2      ASN  93 -12.888  -1.603   9.570
  729   2HD2  ASN  93          2HD2      ASN  93 -13.474  -2.479  10.939
  730    H    ARG  94           H        ARG  94 -15.915  -4.572   5.224
  731    HA   ARG  94           HA       ARG  94 -14.646  -4.075   2.764
  732   1HB   ARG  94          2HB       ARG  94 -16.628  -5.544   3.062
  733   2HB   ARG  94          1HB       ARG  94 -17.615  -4.116   3.339
  734   1HG   ARG  94          2HG       ARG  94 -17.150  -3.330   1.091
  735   2HG   ARG  94          1HG       ARG  94 -16.101  -4.719   0.806
  736   1HD   ARG  94          2HD       ARG  94 -18.211  -5.192  -0.197
  737   2HD   ARG  94          1HD       ARG  94 -18.072  -6.193   1.248
  738    HE   ARG  94           HE       ARG  94 -19.416  -3.717   1.746
  739   1HH1  ARG  94          1HH1      ARG  94 -19.836  -6.965   0.542
  740   2HH1  ARG  94          2HH1      ARG  94 -21.529  -7.015   0.904
  741   1HH2  ARG  94          1HH2      ARG  94 -21.642  -3.781   2.224
  742   2HH2  ARG  94          2HH2      ARG  94 -22.554  -5.207   1.858
  743    H    THR  95           H        THR  95 -16.474  -2.019   4.915
  744    HA   THR  95           HA       THR  95 -16.873   0.079   3.045
  745    HB   THR  95           HB       THR  95 -17.420  -0.434   5.873
  746    HG1  THR  95           HG1      THR  95 -18.731   1.214   3.979
  747   1HG2  THR  95          1HG2      THR  95 -16.174   1.461   6.424
  748   2HG2  THR  95          2HG2      THR  95 -17.846   2.012   6.329
  749   3HG2  THR  95          3HG2      THR  95 -16.730   2.345   5.004
  750    H    VAL  96           H        VAL  96 -14.608  -0.511   5.651
  751    HA   VAL  96           HA       VAL  96 -13.130   1.873   5.309
  752    HB   VAL  96           HB       VAL  96 -12.210  -0.720   6.554
  753   1HG1  VAL  96          1HG1      VAL  96 -10.744   0.934   7.864
  754   2HG1  VAL  96          2HG1      VAL  96 -11.094   2.064   6.555
  755   3HG1  VAL  96          3HG1      VAL  96 -10.277   0.541   6.209
  756   1HG2  VAL  96          1HG2      VAL  96 -13.873   1.531   7.561
  757   2HG2  VAL  96          2HG2      VAL  96 -12.733   0.769   8.670
  758   3HG2  VAL  96          3HG2      VAL  96 -13.989  -0.197   7.893
  759    H    MET  97           H        MET  97 -13.017  -1.264   3.834
  760    HA   MET  97           HA       MET  97 -10.429  -0.921   2.654
  761   1HB   MET  97          2HB       MET  97 -10.660  -3.047   1.858
  762   2HB   MET  97          1HB       MET  97 -11.855  -3.110   3.141
  763   1HG   MET  97          2HG       MET  97 -13.119  -3.980   1.497
  764   2HG   MET  97          1HG       MET  97 -13.426  -2.281   1.152
  765   1HE   MET  97          1HE       MET  97 -11.378  -5.563  -0.416
  766   2HE   MET  97          2HE       MET  97 -12.456  -5.217  -1.767
  767   3HE   MET  97          3HE       MET  97 -13.106  -5.347  -0.131
  768    H    ASP  98           H        ASP  98 -13.727  -0.233   1.719
  769    HA   ASP  98           HA       ASP  98 -13.130   0.278  -1.018
  770   1HB   ASP  98          2HB       ASP  98 -15.396  -0.364  -0.185
  771   2HB   ASP  98          1HB       ASP  98 -15.517   1.221   0.575
  772    H    ASN  99           H        ASN  99 -13.109   2.121   1.907
  773    HA   ASN  99           HA       ASN  99 -13.088   4.691   0.694
  774   1HB   ASN  99          2HB       ASN  99 -12.234   3.787   3.447
  775   2HB   ASN  99          1HB       ASN  99 -12.331   5.473   2.944
  776   1HD2  ASN  99          1HD2      ASN  99 -13.754   4.519   5.092
  777   2HD2  ASN  99          2HD2      ASN  99 -15.440   4.537   4.717
  778    H    ILE 100           H        ILE 100 -10.680   2.342   1.512
  779    HA   ILE 100           HA       ILE 100  -8.465   4.159   1.073
  780    HB   ILE 100           HB       ILE 100  -8.462   1.171   1.532
  781   1HG1  ILE 100          2HG1      ILE 100  -9.367   2.511   3.423
  782   2HG1  ILE 100          1HG1      ILE 100  -7.867   1.681   3.824
  783   1HG2  ILE 100          1HG2      ILE 100  -6.063   1.558   2.126
  784   2HG2  ILE 100          2HG2      ILE 100  -6.225   3.184   1.462
  785   3HG2  ILE 100          3HG2      ILE 100  -6.450   1.780   0.418
  786   1HD1  ILE 100          1HD1      ILE 100  -6.661   3.817   3.379
  787   2HD1  ILE 100          2HD1      ILE 100  -7.773   3.866   4.748
  788   3HD1  ILE 100          3HD1      ILE 100  -8.233   4.600   3.211
  789    H    LYS 101           H        LYS 101  -9.933   1.362  -0.535
  790    HA   LYS 101           HA       LYS 101  -8.122   1.108  -2.640
  791   1HB   LYS 101          2HB       LYS 101  -9.867  -0.552  -2.097
  792   2HB   LYS 101          1HB       LYS 101 -11.094   0.560  -2.687
  793   1HG   LYS 101          2HG       LYS 101 -10.326   0.377  -4.914
  794   2HG   LYS 101          1HG       LYS 101  -8.847  -0.441  -4.410
  795   1HD   LYS 101          2HD       LYS 101 -10.216  -2.153  -5.244
  796   2HD   LYS 101          1HD       LYS 101 -10.379  -2.267  -3.490
  797   1HE   LYS 101          2HE       LYS 101 -12.526  -2.452  -4.776
  798   2HE   LYS 101          1HE       LYS 101 -12.501  -1.202  -3.534
  799   1HZ   LYS 101          1HZ       LYS 101 -11.858  -0.585  -6.351
  800   2HZ   LYS 101          2HZ       LYS 101 -12.338   0.475  -5.123
  801   3HZ   LYS 101          3HZ       LYS 101 -13.457  -0.600  -5.797
  802    H    MET 102           H        MET 102 -10.863   3.269  -2.230
  803    HA   MET 102           HA       MET 102 -10.716   4.241  -4.936
  804   1HB   MET 102          2HB       MET 102 -12.304   5.185  -2.553
  805   2HB   MET 102          1HB       MET 102 -12.435   5.882  -4.163
  806   1HG   MET 102          2HG       MET 102 -13.100   3.639  -5.007
  807   2HG   MET 102          1HG       MET 102 -13.121   3.072  -3.338
  808   1HE   MET 102          1HE       MET 102 -15.739   4.386  -1.560
  809   2HE   MET 102          2HE       MET 102 -15.172   6.010  -1.946
  810   3HE   MET 102          3HE       MET 102 -14.009   4.725  -1.618
  811    H    THR 103           H        THR 103  -9.874   5.441  -1.746
  812    HA   THR 103           HA       THR 103  -8.993   7.981  -2.600
  813    HB   THR 103           HB       THR 103  -9.549   7.129  -0.204
  814    HG1  THR 103           HG1      THR 103  -8.710   9.249  -0.867
  815   1HG2  THR 103          1HG2      THR 103  -7.814   6.415   1.176
  816   2HG2  THR 103          2HG2      THR 103  -6.583   6.762  -0.039
  817   3HG2  THR 103          3HG2      THR 103  -7.683   5.403  -0.260
  818    H    LEU 104           H        LEU 104  -7.353   4.894  -2.166
  819    HA   LEU 104           HA       LEU 104  -4.732   5.853  -2.639
  820   1HB   LEU 104          2HB       LEU 104  -6.014   3.141  -2.797
  821   2HB   LEU 104          1HB       LEU 104  -4.346   3.379  -3.285
  822    HG   LEU 104           HG       LEU 104  -5.485   3.897  -0.538
  823   1HD1  LEU 104          1HD1      LEU 104  -5.202   1.515  -1.167
  824   2HD1  LEU 104          2HD1      LEU 104  -4.161   2.020   0.164
  825   3HD1  LEU 104          3HD1      LEU 104  -3.492   1.833  -1.456
  826   1HD2  LEU 104          1HD2      LEU 104  -3.066   4.223   0.056
  827   2HD2  LEU 104          2HD2      LEU 104  -3.779   5.508  -0.917
  828   3HD2  LEU 104          3HD2      LEU 104  -2.726   4.312  -1.672
  829    H    GLN 105           H        GLN 105  -7.351   4.839  -4.724
  830    HA   GLN 105           HA       GLN 105  -5.834   4.559  -7.094
  831   1HB   GLN 105          2HB       GLN 105  -8.625   4.488  -6.335
  832   2HB   GLN 105          1HB       GLN 105  -8.411   5.354  -7.852
  833   1HG   GLN 105          2HG       GLN 105  -6.824   3.013  -7.968
  834   2HG   GLN 105          1HG       GLN 105  -8.422   2.555  -7.378
  835   1HE2  GLN 105          1HE2      GLN 105  -6.563   3.263 -10.077
  836   2HE2  GLN 105          2HE2      GLN 105  -7.832   3.384 -11.242
  837    H    GLN 106           H        GLN 106  -7.307   7.272  -5.494
  838    HA   GLN 106           HA       GLN 106  -7.164   9.105  -7.634
  839   1HB   GLN 106          2HB       GLN 106  -7.097   9.615  -4.653
  840   2HB   GLN 106          1HB       GLN 106  -7.348  10.848  -5.880
  841   1HG   GLN 106          2HG       GLN 106  -9.152   8.506  -5.324
  842   2HG   GLN 106          1HG       GLN 106  -9.446  10.184  -4.867
  843   1HE2  GLN 106          1HE2      GLN 106 -10.550   8.006  -6.854
  844   2HE2  GLN 106          2HE2      GLN 106 -10.890   8.947  -8.263
  845    H    ILE 107           H        ILE 107  -4.909   8.260  -5.045
  846    HA   ILE 107           HA       ILE 107  -2.962  10.202  -5.532
  847    HB   ILE 107           HB       ILE 107  -2.603   7.360  -4.567
  848   1HG1  ILE 107          2HG1      ILE 107  -2.660   9.902  -2.941
  849   2HG1  ILE 107          1HG1      ILE 107  -4.104   8.942  -3.250
  850   1HG2  ILE 107          1HG2      ILE 107  -0.414   7.690  -4.582
  851   2HG2  ILE 107          2HG2      ILE 107  -0.611   9.115  -3.561
  852   3HG2  ILE 107          3HG2      ILE 107  -0.655   9.275  -5.317
  853   1HD1  ILE 107          1HD1      ILE 107  -2.176   8.614  -1.221
  854   2HD1  ILE 107          2HD1      ILE 107  -2.063   7.215  -2.291
  855   3HD1  ILE 107          3HD1      ILE 107  -3.607   7.634  -1.546
  856    H    ILE 108           H        ILE 108  -3.452   7.006  -6.943
  857    HA   ILE 108           HA       ILE 108  -1.206   6.767  -8.547
  858    HB   ILE 108           HB       ILE 108  -3.935   5.994  -9.528
  859   1HG1  ILE 108          2HG1      ILE 108  -4.008   5.204  -7.308
  860   2HG1  ILE 108          1HG1      ILE 108  -3.539   3.815  -8.279
  861   1HG2  ILE 108          1HG2      ILE 108  -2.315   5.529 -11.128
  862   2HG2  ILE 108          2HG2      ILE 108  -2.578   3.987 -10.313
  863   3HG2  ILE 108          3HG2      ILE 108  -1.157   4.957  -9.928
  864   1HD1  ILE 108          1HD1      ILE 108  -2.293   4.027  -6.157
  865   2HD1  ILE 108          2HD1      ILE 108  -1.613   5.543  -6.751
  866   3HD1  ILE 108          3HD1      ILE 108  -1.258   4.030  -7.586
  867    H    SER 109           H        SER 109  -4.321   8.128  -9.334
  868    HA   SER 109           HA       SER 109  -3.785   8.996 -11.922
  869   1HB   SER 109          2HB       SER 109  -6.050   8.916 -10.894
  870   2HB   SER 109          1HB       SER 109  -5.631  10.337  -9.938
  871    HG   SER 109           HG       SER 109  -6.534  10.223 -12.450
  872    H    ARG 110           H        ARG 110  -2.997  10.443  -8.868
  873    HA   ARG 110           HA       ARG 110  -2.317  13.002  -9.901
  874   1HB   ARG 110          2HB       ARG 110  -1.592  11.655  -7.300
  875   2HB   ARG 110          1HB       ARG 110  -1.207  13.328  -7.682
  876   1HG   ARG 110          2HG       ARG 110  -3.631  13.775  -7.947
  877   2HG   ARG 110          1HG       ARG 110  -3.953  12.121  -7.418
  878   1HD   ARG 110          2HD       ARG 110  -2.681  12.654  -5.320
  879   2HD   ARG 110          1HD       ARG 110  -2.648  14.335  -5.846
  880    HE   ARG 110           HE       ARG 110  -4.861  12.930  -4.699
  881   1HH1  ARG 110          1HH1      ARG 110  -3.973  15.535  -6.845
  882   2HH1  ARG 110          2HH1      ARG 110  -5.453  16.401  -6.609
  883   1HH2  ARG 110          1HH2      ARG 110  -6.810  14.068  -4.390
  884   2HH2  ARG 110          2HH2      ARG 110  -7.064  15.568  -5.216
  885    H    TYR 111           H        TYR 111  -0.608  10.020  -9.394
  886    HA   TYR 111           HA       TYR 111   1.999  11.120  -9.794
  887   1HB   TYR 111          2HB       TYR 111   0.861   8.374  -9.554
  888   2HB   TYR 111          1HB       TYR 111   2.457   8.551 -10.276
  889    HD1  TYR 111           HD1      TYR 111   4.315   9.511  -8.943
  890    HD2  TYR 111           HD2      TYR 111   0.523   8.668  -7.208
  891    HE1  TYR 111           HE1      TYR 111   5.319   9.639  -6.702
  892    HE2  TYR 111           HE2      TYR 111   1.518   8.794  -4.962
  893    HH   TYR 111           HH       TYR 111   3.895   8.467  -3.979
  894    H    LYS 112           H        LYS 112  -0.504   9.884 -11.830
  895    HA   LYS 112           HA       LYS 112   1.100   9.481 -14.144
  896   1HB   LYS 112          2HB       LYS 112  -1.885   9.891 -13.908
  897   2HB   LYS 112          1HB       LYS 112  -1.045   9.314 -15.339
  898   1HG   LYS 112          2HG       LYS 112  -1.144   7.912 -12.677
  899   2HG   LYS 112          1HG       LYS 112  -2.088   7.489 -14.106
  900   1HD   LYS 112          2HD       LYS 112  -0.419   6.206 -14.816
  901   2HD   LYS 112          1HD       LYS 112   0.626   7.625 -14.898
  902   1HE   LYS 112          2HE       LYS 112   1.857   6.471 -13.402
  903   2HE   LYS 112          1HE       LYS 112   0.700   7.135 -12.251
  904   1HZ   LYS 112          1HZ       LYS 112   1.196   4.607 -12.275
  905   2HZ   LYS 112          2HZ       LYS 112   0.114   4.577 -13.573
  906   3HZ   LYS 112          3HZ       LYS 112  -0.395   5.144 -12.064
  907    H    ASP 113           H        ASP 113  -0.659  12.172 -12.775
  908    HA   ASP 113           HA       ASP 113  -0.799  13.844 -15.010
  909   1HB   ASP 113          2HB       ASP 113  -0.538  14.518 -12.075
  910   2HB   ASP 113          1HB       ASP 113  -0.880  15.708 -13.327
  911    H    ALA 114           H        ALA 114   1.807  13.269 -12.715
  912    HA   ALA 114           HA       ALA 114   3.497  15.380 -13.457
  913   1HB   ALA 114          1HB       ALA 114   3.936  14.169 -11.446
  914   2HB   ALA 114          2HB       ALA 114   5.319  13.948 -12.519
  915   3HB   ALA 114          3HB       ALA 114   4.131  12.657 -12.333
  916    H    ASP 115           H        ASP 115   2.917  12.249 -14.906
  917    HA   ASP 115           HA       ASP 115   4.636  13.034 -17.153
  918   1HB   ASP 115          2HB       ASP 115   4.592  10.327 -15.805
  919   2HB   ASP 115          1HB       ASP 115   5.349  10.637 -17.365
  Start of MODEL    5
    1    HT1  PRO   1           HT2      PRO   1 -14.181  11.366   8.611
    2    HT2  PRO   1           HT1      PRO   1 -13.380  12.154   7.327
    3    HA   PRO   1           HA       PRO   1 -14.752   9.767   7.328
    4   1HB   PRO   1          2HB       PRO   1 -15.913  11.369   5.154
    5   2HB   PRO   1          1HB       PRO   1 -16.679  10.178   6.211
    6   1HG   PRO   1          2HG       PRO   1 -17.104  12.844   6.470
    7   2HG   PRO   1          1HG       PRO   1 -17.153  11.726   7.841
    8   1HD   PRO   1          2HD       PRO   1 -15.019  13.661   7.044
    9   2HD   PRO   1          1HD       PRO   1 -15.535  13.156   8.664
   10    H    SER   2           H        SER   2 -14.153   8.558   5.466
   11    HA   SER   2           HA       SER   2 -12.726   7.893   3.824
   12   1HB   SER   2          2HB       SER   2 -13.999   9.623   2.549
   13   2HB   SER   2          1HB       SER   2 -12.762  10.801   2.988
   14    HG   SER   2           HG       SER   2 -11.276   9.677   1.793
   15    H    HIS   3           H        HIS   3 -10.490   8.214   2.905
   16    HA   HIS   3           HA       HIS   3  -8.250   8.447   3.214
   17   1HB   HIS   3          2HB       HIS   3  -9.332  10.947   4.429
   18   2HB   HIS   3          1HB       HIS   3  -7.640  10.552   4.714
   19    HD1  HIS   3           HD1      HIS   3 -10.035  11.242   1.870
   20    HD2  HIS   3           HD2      HIS   3  -5.952  11.111   2.629
   21    HE1  HIS   3           HE1      HIS   3  -8.937  12.152  -0.201
   22    HE2  HIS   3           HE2      HIS   3  -6.465  11.987   0.250
   23    H    SER   4           H        SER   4  -6.922   7.301   4.457
   24    HA   SER   4           HA       SER   4  -6.057   6.173   6.228
   25   1HB   SER   4          2HB       SER   4  -7.464   8.199   7.975
   26   2HB   SER   4          1HB       SER   4  -6.049   7.229   8.385
   27    HG   SER   4           HG       SER   4  -6.026   9.617   7.392
   28    H    GLY   5           H        GLY   5  -6.667   4.284   7.015
   29   1HA   GLY   5          2HA       GLY   5  -9.108   3.935   8.493
   30   2HA   GLY   5          1HA       GLY   5  -9.166   3.209   6.891
   31    H    ALA   6           H        ALA   6  -9.421   1.638   9.155
   32    HA   ALA   6           HA       ALA   6  -6.952   0.561  10.017
   33   1HB   ALA   6          1HB       ALA   6  -8.941   0.303  11.365
   34   2HB   ALA   6          2HB       ALA   6  -8.276  -1.276  10.939
   35   3HB   ALA   6          3HB       ALA   6  -9.700  -0.662  10.096
   36    H    ALA   7           H        ALA   7  -5.764  -1.107   9.309
   37    HA   ALA   7           HA       ALA   7  -6.727  -2.893   7.266
   38   1HB   ALA   7          1HB       ALA   7  -4.496  -0.963   6.667
   39   2HB   ALA   7          2HB       ALA   7  -6.075  -1.032   5.883
   40   3HB   ALA   7          3HB       ALA   7  -4.924  -2.350   5.663
   41    H    ILE   8           H        ILE   8  -5.484  -4.775   7.028
   42    HA   ILE   8           HA       ILE   8  -3.555  -5.213   9.187
   43    HB   ILE   8           HB       ILE   8  -4.724  -7.242   7.290
   44   1HG1  ILE   8          2HG1      ILE   8  -5.625  -6.762  10.119
   45   2HG1  ILE   8          1HG1      ILE   8  -6.401  -5.985   8.739
   46   1HG2  ILE   8          1HG2      ILE   8  -2.553  -7.614   8.749
   47   2HG2  ILE   8          2HG2      ILE   8  -3.752  -8.885   8.533
   48   3HG2  ILE   8          3HG2      ILE   8  -3.746  -7.922  10.009
   49   1HD1  ILE   8          1HD1      ILE   8  -7.246  -7.948   7.937
   50   2HD1  ILE   8          2HD1      ILE   8  -7.336  -8.212   9.680
   51   3HD1  ILE   8          3HD1      ILE   8  -6.020  -8.931   8.743
   52    H    PHE   9           H        PHE   9  -1.495  -5.895   8.865
   53    HA   PHE   9           HA       PHE   9  -0.540  -6.361   6.156
   54   1HB   PHE   9          2HB       PHE   9  -0.216  -3.955   6.464
   55   2HB   PHE   9          1HB       PHE   9   0.656  -4.251   7.962
   56    HD1  PHE   9           HD1      PHE   9   2.907  -3.921   7.784
   57    HD2  PHE   9           HD2      PHE   9   0.809  -5.577   4.477
   58    HE1  PHE   9           HE1      PHE   9   5.018  -4.070   6.527
   59    HE2  PHE   9           HE2      PHE   9   2.913  -5.732   3.211
   60    HZ   PHE   9           HZ       PHE   9   5.023  -4.976   4.237
   61    H    GLU  10           H        GLU  10   0.215  -8.348   6.416
   62    HA   GLU  10           HA       GLU  10   1.671  -9.995   7.001
   63   1HB   GLU  10          2HB       GLU  10   2.767  -8.134   9.105
   64   2HB   GLU  10          1HB       GLU  10   3.525  -9.587   8.475
   65   1HG   GLU  10          2HG       GLU  10   3.675  -8.504   6.262
   66   2HG   GLU  10          1HG       GLU  10   3.018  -7.031   6.973
   67    H    LYS  11           H        LYS  11  -0.852 -10.166   7.882
   68    HA   LYS  11           HA       LYS  11  -2.187 -11.239   9.331
   69   1HB   LYS  11          2HB       LYS  11   0.525 -12.187  10.060
   70   2HB   LYS  11          1HB       LYS  11  -0.827 -12.642  11.092
   71   1HG   LYS  11          2HG       LYS  11  -1.878 -13.829   9.374
   72   2HG   LYS  11          1HG       LYS  11  -0.897 -13.052   8.127
   73   1HD   LYS  11          2HD       LYS  11   0.157 -14.948  10.227
   74   2HD   LYS  11          1HD       LYS  11  -0.233 -15.400   8.566
   75   1HE   LYS  11          2HE       LYS  11   1.392 -13.551   7.876
   76   2HE   LYS  11          1HE       LYS  11   1.936 -13.571   9.553
   77   1HZ   LYS  11          1HZ       LYS  11   1.795 -16.152   8.220
   78   2HZ   LYS  11          2HZ       LYS  11   2.959 -15.546   9.288
   79   3HZ   LYS  11          3HZ       LYS  11   2.992 -15.096   7.658
   80    H    VAL  12           H        VAL  12  -0.794  -8.521  10.106
   81    HA   VAL  12           HA       VAL  12  -1.818  -8.560  12.838
   82    HB   VAL  12           HB       VAL  12   0.522  -6.945  11.824
   83   1HG1  VAL  12          1HG1      VAL  12   0.718  -6.051  14.055
   84   2HG1  VAL  12          2HG1      VAL  12  -0.649  -7.021  14.600
   85   3HG1  VAL  12          3HG1      VAL  12  -0.900  -5.718  13.438
   86   1HG2  VAL  12          1HG2      VAL  12   0.283  -9.435  13.418
   87   2HG2  VAL  12          2HG2      VAL  12   1.548  -8.287  13.862
   88   3HG2  VAL  12          3HG2      VAL  12   1.500  -8.961  12.232
   89    H    SER  13           H        SER  13  -3.228  -6.919  13.356
   90    HA   SER  13           HA       SER  13  -4.027  -5.240  11.089
   91   1HB   SER  13          2HB       SER  13  -5.744  -6.720  12.115
   92   2HB   SER  13          1HB       SER  13  -5.562  -5.838  13.630
   93    HG   SER  13           HG       SER  13  -7.271  -5.219  11.937
   94    H    GLY  14           H        GLY  14  -4.317  -3.083  11.227
   95   1HA   GLY  14          2HA       GLY  14  -3.944  -1.593  13.642
   96   2HA   GLY  14          1HA       GLY  14  -2.534  -1.527  12.589
   97    H    ILE  15           H        ILE  15  -3.486   0.850  12.928
   98    HA   ILE  15           HA       ILE  15  -5.563   1.402  10.967
   99    HB   ILE  15           HB       ILE  15  -4.139   3.210  12.911
  100   1HG1  ILE  15          2HG1      ILE  15  -6.344   1.426  13.133
  101   2HG1  ILE  15          1HG1      ILE  15  -5.714   2.531  14.351
  102   1HG2  ILE  15          1HG2      ILE  15  -4.682   4.484  10.919
  103   2HG2  ILE  15          2HG2      ILE  15  -5.766   4.938  12.235
  104   3HG2  ILE  15          3HG2      ILE  15  -6.337   3.874  10.950
  105   1HD1  ILE  15          1HD1      ILE  15  -7.889   3.063  12.348
  106   2HD1  ILE  15          2HD1      ILE  15  -7.180   4.302  13.384
  107   3HD1  ILE  15          3HD1      ILE  15  -8.042   2.941  14.100
  108    H    ILE  16           H        ILE  16  -5.213   2.068   8.995
  109    HA   ILE  16           HA       ILE  16  -2.474   2.697   8.177
  110    HB   ILE  16           HB       ILE  16  -4.724   1.270   6.971
  111   1HG1  ILE  16          2HG1      ILE  16  -1.748   1.418   6.490
  112   2HG1  ILE  16          1HG1      ILE  16  -2.650   0.168   7.336
  113   1HG2  ILE  16          1HG2      ILE  16  -4.144   1.984   4.616
  114   2HG2  ILE  16          2HG2      ILE  16  -3.329   3.378   5.325
  115   3HG2  ILE  16          3HG2      ILE  16  -5.062   3.152   5.563
  116   1HD1  ILE  16          1HD1      ILE  16  -2.770  -0.989   5.464
  117   2HD1  ILE  16          2HD1      ILE  16  -1.929   0.297   4.597
  118   3HD1  ILE  16          3HD1      ILE  16  -3.690   0.319   4.718
  119    H    ALA  17           H        ALA  17  -1.997   4.788   7.984
  120    HA   ALA  17           HA       ALA  17  -4.156   6.676   7.318
  121   1HB   ALA  17          1HB       ALA  17  -1.546   7.155   8.751
  122   2HB   ALA  17          2HB       ALA  17  -3.156   7.128   9.470
  123   3HB   ALA  17          3HB       ALA  17  -2.718   8.406   8.336
  124    H    ILE  18           H        ILE  18  -3.903   8.146   5.670
  125    HA   ILE  18           HA       ILE  18  -1.691   7.583   3.831
  126    HB   ILE  18           HB       ILE  18  -4.529   8.275   3.478
  127   1HG1  ILE  18          2HG1      ILE  18  -2.617   7.040   1.506
  128   2HG1  ILE  18          1HG1      ILE  18  -3.288   6.128   2.855
  129   1HG2  ILE  18          1HG2      ILE  18  -3.803  10.335   2.629
  130   2HG2  ILE  18          2HG2      ILE  18  -4.044   9.313   1.212
  131   3HG2  ILE  18          3HG2      ILE  18  -2.414   9.610   1.819
  132   1HD1  ILE  18          1HD1      ILE  18  -4.550   7.027   0.360
  133   2HD1  ILE  18          2HD1      ILE  18  -5.542   7.145   1.813
  134   3HD1  ILE  18          3HD1      ILE  18  -4.853   5.592   1.339
  135    H    ASN  19           H        ASN  19  -0.055   8.963   3.948
  136    HA   ASN  19           HA       ASN  19  -0.584  11.745   4.723
  137   1HB   ASN  19          2HB       ASN  19   1.850   9.990   4.895
  138   2HB   ASN  19          1HB       ASN  19   2.000  11.745   4.965
  139   1HD2  ASN  19          1HD2      ASN  19  -0.079   9.226   6.363
  140   2HD2  ASN  19          2HD2      ASN  19  -0.014   9.834   7.979
  141    H    GLU  20           H        GLU  20  -0.881  13.031   3.039
  142    HA   GLU  20           HA       GLU  20   0.780  12.631   0.643
  143   1HB   GLU  20          2HB       GLU  20  -1.877  14.042   0.936
  144   2HB   GLU  20          1HB       GLU  20  -0.955  13.930  -0.557
  145   1HG   GLU  20          2HG       GLU  20  -1.169  11.483  -0.482
  146   2HG   GLU  20          1HG       GLU  20  -2.144  11.632   0.979
  147    H    ASP  21           H        ASP  21   0.537  14.521   3.356
  148    HA   ASP  21           HA       ASP  21   0.960  17.117   2.389
  149   1HB   ASP  21          2HB       ASP  21   1.788  15.822   4.988
  150   2HB   ASP  21          1HB       ASP  21   1.932  17.546   4.664
  151    H    VAL  22           H        VAL  22   3.038  14.392   2.478
  152    HA   VAL  22           HA       VAL  22   5.411  16.042   2.223
  153    HB   VAL  22           HB       VAL  22   5.197  13.843   3.629
  154   1HG1  VAL  22          1HG1      VAL  22   4.621  12.679   1.309
  155   2HG1  VAL  22          2HG1      VAL  22   5.431  11.834   2.627
  156   3HG1  VAL  22          3HG1      VAL  22   6.373  12.490   1.289
  157   1HG2  VAL  22          1HG2      VAL  22   7.365  14.170   3.943
  158   2HG2  VAL  22          2HG2      VAL  22   7.308  15.324   2.612
  159   3HG2  VAL  22          3HG2      VAL  22   7.744  13.643   2.304
  160    H    SER  23           H        SER  23   6.920  14.290   0.611
  161    HA   SER  23           HA       SER  23   5.599  13.773  -1.854
  162   1HB   SER  23          2HB       SER  23   7.278  15.567  -2.971
  163   2HB   SER  23          1HB       SER  23   5.606  15.936  -2.556
  164    HG   SER  23           HG       SER  23   7.919  16.899  -1.483
  165    HA   PRO  24           HA       PRO  24   5.695  12.332  -3.194
  166   1HB   PRO  24          2HB       PRO  24   6.398   9.522  -2.822
  167   2HB   PRO  24          1HB       PRO  24   6.100  10.406  -4.319
  168   1HG   PRO  24          2HG       PRO  24   8.556   9.514  -3.616
  169   2HG   PRO  24          1HG       PRO  24   8.308  10.987  -4.571
  170   1HD   PRO  24          2HD       PRO  24   8.890  10.701  -1.645
  171   2HD   PRO  24          1HD       PRO  24   9.552  11.861  -2.817
  172    H    ALA  25           H        ALA  25   3.748  11.548  -2.365
  173    HA   ALA  25           HA       ALA  25   3.340  11.656   0.383
  174   1HB   ALA  25          1HB       ALA  25   1.134  10.606  -0.097
  175   2HB   ALA  25          2HB       ALA  25   1.674  10.323  -1.753
  176   3HB   ALA  25          3HB       ALA  25   1.514  11.972  -1.147
  177    H    GLU  26           H        GLU  26   2.337   9.790   1.692
  178    HA   GLU  26           HA       GLU  26   3.372   7.157   1.075
  179   1HB   GLU  26          2HB       GLU  26   4.358   8.671   3.500
  180   2HB   GLU  26          1HB       GLU  26   4.647   6.965   3.186
  181   1HG   GLU  26          2HG       GLU  26   5.853   7.581   1.126
  182   2HG   GLU  26          1HG       GLU  26   5.624   9.281   1.533
  183    H    LEU  27           H        LEU  27   2.535   5.501   2.422
  184    HA   LEU  27           HA       LEU  27   0.157   6.327   3.954
  185   1HB   LEU  27          2HB       LEU  27  -0.249   4.980   1.897
  186   2HB   LEU  27          1HB       LEU  27   0.680   3.675   2.609
  187    HG   LEU  27           HG       LEU  27  -1.709   4.763   4.050
  188   1HD1  LEU  27          1HD1      LEU  27  -1.682   2.970   1.656
  189   2HD1  LEU  27          2HD1      LEU  27  -2.756   4.318   2.031
  190   3HD1  LEU  27          3HD1      LEU  27  -2.919   2.792   2.901
  191   1HD2  LEU  27          1HD2      LEU  27  -0.502   3.279   5.381
  192   2HD2  LEU  27          2HD2      LEU  27  -0.135   2.212   4.025
  193   3HD2  LEU  27          3HD2      LEU  27  -1.771   2.275   4.681
  194    H    THR  28           H        THR  28   0.463   6.202   6.085
  195    HA   THR  28           HA       THR  28   2.492   4.507   7.205
  196    HB   THR  28           HB       THR  28   0.729   5.984   9.003
  197    HG1  THR  28           HG1      THR  28   0.855   7.888   8.128
  198   1HG2  THR  28          1HG2      THR  28   3.654   6.262   8.438
  199   2HG2  THR  28          2HG2      THR  28   2.954   5.171   9.634
  200   3HG2  THR  28          3HG2      THR  28   2.784   6.916   9.822
  201    H    TRP  29           H        TRP  29   2.137   2.895   8.724
  202    HA   TRP  29           HA       TRP  29  -0.620   1.991   9.125
  203   1HB   TRP  29          2HB       TRP  29   0.395   0.567   7.399
  204   2HB   TRP  29          1HB       TRP  29   1.747   0.219   8.474
  205    HD1  TRP  29           HD1      TRP  29  -2.081   0.061   9.028
  206    HE1  TRP  29           HE1      TRP  29  -2.658  -2.249  10.027
  207    HE3  TRP  29           HE3      TRP  29   2.607  -1.973   9.131
  208    HZ2  TRP  29           HZ2      TRP  29  -1.300  -4.588  10.759
  209    HZ3  TRP  29           HZ3      TRP  29   2.878  -4.261  10.003
  210    HH2  TRP  29           HH2      TRP  29   0.953  -5.547  10.797
  211    H    ARG  30           H        ARG  30  -0.962   2.238  11.236
  212    HA   ARG  30           HA       ARG  30   1.235   1.607  13.090
  213   1HB   ARG  30          2HB       ARG  30  -0.392   3.814  13.016
  214   2HB   ARG  30          1HB       ARG  30  -1.219   2.811  14.199
  215   1HG   ARG  30          2HG       ARG  30   0.844   2.649  15.502
  216   2HG   ARG  30          1HG       ARG  30   1.664   3.668  14.318
  217   1HD   ARG  30          2HD       ARG  30  -0.131   5.401  14.791
  218   2HD   ARG  30          1HD       ARG  30  -0.583   4.406  16.176
  219    HE   ARG  30           HE       ARG  30   2.068   4.762  16.531
  220   1HH1  ARG  30          1HH1      ARG  30  -0.561   6.977  15.932
  221   2HH1  ARG  30          2HH1      ARG  30   0.177   8.283  16.797
  222   1HH2  ARG  30          1HH2      ARG  30   3.039   6.478  17.670
  223   2HH2  ARG  30          2HH2      ARG  30   2.221   8.000  17.783
  224    H    SER  31           H        SER  31   1.114  -0.199  14.318
  225    HA   SER  31           HA       SER  31  -0.908  -2.096  13.900
  226   1HB   SER  31          2HB       SER  31   0.159  -3.347  15.747
  227   2HB   SER  31          1HB       SER  31   1.347  -2.739  14.596
  228    HG   SER  31           HG       SER  31   1.406  -2.384  17.145
  229    H    THR  32           H        THR  32  -2.324  -3.034  15.540
  230    HA   THR  32           HA       THR  32  -4.059  -1.155  16.656
  231    HB   THR  32           HB       THR  32  -3.681  -4.089  16.684
  232    HG1  THR  32           HG1      THR  32  -5.875  -2.362  16.191
  233   1HG2  THR  32          1HG2      THR  32  -5.459  -2.722  18.668
  234   2HG2  THR  32          2HG2      THR  32  -4.129  -3.833  18.992
  235   3HG2  THR  32          3HG2      THR  32  -5.592  -4.416  18.201
  236    H    ASP  33           H        ASP  33  -1.328  -2.885  17.882
  237    HA   ASP  33           HA       ASP  33  -1.760  -2.345  20.636
  238   1HB   ASP  33          2HB       ASP  33   0.739  -3.142  19.141
  239   2HB   ASP  33          1HB       ASP  33   0.626  -3.045  20.896
  240    H    GLY  34           H        GLY  34  -0.146  -0.686  18.050
  241   1HA   GLY  34          2HA       GLY  34   0.383   1.576  17.941
  242   2HA   GLY  34          1HA       GLY  34   0.010   1.721  19.653
  243    H    ASP  35           H        ASP  35   2.131  -0.778  18.572
  244    HA   ASP  35           HA       ASP  35   4.397   0.693  19.726
  245   1HB   ASP  35          2HB       ASP  35   3.688  -1.304  21.019
  246   2HB   ASP  35          1HB       ASP  35   4.009  -2.302  19.604
  247    H    LYS  36           H        LYS  36   3.189  -0.892  16.940
  248    HA   LYS  36           HA       LYS  36   5.832  -0.653  15.663
  249   1HB   LYS  36          2HB       LYS  36   3.953  -2.881  15.732
  250   2HB   LYS  36          1HB       LYS  36   4.378  -2.419  14.089
  251   1HG   LYS  36          2HG       LYS  36   6.105  -3.807  14.401
  252   2HG   LYS  36          1HG       LYS  36   6.819  -2.434  15.251
  253   1HD   LYS  36          2HD       LYS  36   7.074  -4.000  16.878
  254   2HD   LYS  36          1HD       LYS  36   5.431  -3.488  17.270
  255   1HE   LYS  36          2HE       LYS  36   4.521  -5.438  16.587
  256   2HE   LYS  36          1HE       LYS  36   5.653  -5.617  15.246
  257   1HZ   LYS  36          1HZ       LYS  36   6.161  -7.335  16.729
  258   2HZ   LYS  36          2HZ       LYS  36   6.057  -6.334  18.089
  259   3HZ   LYS  36          3HZ       LYS  36   7.355  -6.170  17.016
  260    H    VAL  37           H        VAL  37   5.944   0.732  14.030
  261    HA   VAL  37           HA       VAL  37   3.451   1.481  12.649
  262    HB   VAL  37           HB       VAL  37   5.709   3.391  13.250
  263   1HG1  VAL  37          1HG1      VAL  37   4.513   5.004  12.184
  264   2HG1  VAL  37          2HG1      VAL  37   2.958   4.273  12.584
  265   3HG1  VAL  37          3HG1      VAL  37   3.938   3.606  11.277
  266   1HG2  VAL  37          1HG2      VAL  37   3.677   4.338  14.723
  267   2HG2  VAL  37          2HG2      VAL  37   4.905   3.246  15.361
  268   3HG2  VAL  37          3HG2      VAL  37   3.346   2.610  14.841
  269    H    HIS  38           H        HIS  38   3.532   0.984  10.576
  270    HA   HIS  38           HA       HIS  38   6.162   0.877   9.251
  271   1HB   HIS  38          2HB       HIS  38   4.956  -1.257   9.267
  272   2HB   HIS  38          1HB       HIS  38   3.598  -0.492   8.456
  273    HD1  HIS  38           HD1      HIS  38   6.443  -2.491   7.732
  274    HD2  HIS  38           HD2      HIS  38   4.535   0.670   5.827
  275    HE1  HIS  38           HE1      HIS  38   7.183  -2.608   5.330
  276    HE2  HIS  38           HE2      HIS  38   6.085  -0.633   4.218
  277    H    THR  39           H        THR  39   6.508   1.885   7.354
  278    HA   THR  39           HA       THR  39   4.413   3.764   6.473
  279    HB   THR  39           HB       THR  39   7.383   4.150   6.114
  280    HG1  THR  39           HG1      THR  39   7.310   5.454   7.926
  281   1HG2  THR  39          1HG2      THR  39   5.102   6.106   6.013
  282   2HG2  THR  39          2HG2      THR  39   6.012   5.499   4.630
  283   3HG2  THR  39          3HG2      THR  39   6.814   6.497   5.845
  284    H    VAL  40           H        VAL  40   3.747   3.663   4.421
  285    HA   VAL  40           HA       VAL  40   5.241   1.913   2.579
  286    HB   VAL  40           HB       VAL  40   2.290   2.539   2.475
  287   1HG1  VAL  40          1HG1      VAL  40   3.710   0.263   1.134
  288   2HG1  VAL  40          2HG1      VAL  40   3.580   1.848   0.373
  289   3HG1  VAL  40          3HG1      VAL  40   2.121   0.945   0.779
  290   1HG2  VAL  40          1HG2      VAL  40   3.112   1.221   4.507
  291   2HG2  VAL  40          2HG2      VAL  40   3.475  -0.071   3.363
  292   3HG2  VAL  40          3HG2      VAL  40   1.819   0.510   3.542
  293    H    VAL  41           H        VAL  41   5.663   2.596   0.517
  294    HA   VAL  41           HA       VAL  41   5.344   5.457   0.035
  295    HB   VAL  41           HB       VAL  41   6.851   3.473  -1.667
  296   1HG1  VAL  41          1HG1      VAL  41   6.910   5.266  -3.010
  297   2HG1  VAL  41          2HG1      VAL  41   8.106   5.886  -1.873
  298   3HG1  VAL  41          3HG1      VAL  41   6.416   6.366  -1.723
  299   1HG2  VAL  41          1HG2      VAL  41   7.879   3.282   0.441
  300   2HG2  VAL  41          2HG2      VAL  41   7.732   5.010   0.761
  301   3HG2  VAL  41          3HG2      VAL  41   8.873   4.432  -0.454
  302    H    LEU  42           H        LEU  42   3.783   6.224  -1.217
  303    HA   LEU  42           HA       LEU  42   2.157   4.395  -2.774
  304   1HB   LEU  42          2HB       LEU  42   1.795   7.365  -2.435
  305   2HB   LEU  42          1HB       LEU  42   0.600   6.204  -2.982
  306    HG   LEU  42           HG       LEU  42   1.729   6.471  -0.197
  307   1HD1  LEU  42          1HD1      LEU  42  -0.200   7.951  -1.256
  308   2HD1  LEU  42          2HD1      LEU  42  -0.251   7.398   0.417
  309   3HD1  LEU  42          3HD1      LEU  42  -1.166   6.542  -0.825
  310   1HD2  LEU  42          1HD2      LEU  42   1.365   4.275  -0.002
  311   2HD2  LEU  42          2HD2      LEU  42   0.498   4.192  -1.536
  312   3HD2  LEU  42          3HD2      LEU  42  -0.349   4.678  -0.068
  313    H    SER  43           H        SER  43   4.825   6.385  -3.352
  314    HA   SER  43           HA       SER  43   4.142   7.132  -6.046
  315   1HB   SER  43          2HB       SER  43   6.316   8.129  -6.151
  316   2HB   SER  43          1HB       SER  43   5.684   8.452  -4.536
  317    HG   SER  43           HG       SER  43   7.717   6.694  -5.337
  318    H    THR  44           H        THR  44   5.785   4.508  -4.458
  319    HA   THR  44           HA       THR  44   6.986   3.510  -6.873
  320    HB   THR  44           HB       THR  44   8.065   3.170  -4.686
  321    HG1  THR  44           HG1      THR  44   8.805   1.591  -5.867
  322   1HG2  THR  44          1HG2      THR  44   6.002   2.834  -3.352
  323   2HG2  THR  44          2HG2      THR  44   7.248   1.618  -3.073
  324   3HG2  THR  44          3HG2      THR  44   5.850   1.234  -4.076
  325    H    ILE  45           H        ILE  45   3.983   3.178  -5.253
  326    HA   ILE  45           HA       ILE  45   3.195   0.625  -6.120
  327    HB   ILE  45           HB       ILE  45   1.372   2.988  -5.685
  328   1HG1  ILE  45          2HG1      ILE  45   2.787   2.781  -3.741
  329   2HG1  ILE  45          1HG1      ILE  45   1.199   2.135  -3.344
  330   1HG2  ILE  45          1HG2      ILE  45   0.200   1.179  -6.693
  331   2HG2  ILE  45          2HG2      ILE  45  -0.218   1.182  -4.980
  332   3HG2  ILE  45          3HG2      ILE  45   0.945   0.010  -5.601
  333   1HD1  ILE  45          1HD1      ILE  45   3.789   0.716  -3.705
  334   2HD1  ILE  45          2HD1      ILE  45   2.278  -0.140  -4.015
  335   3HD1  ILE  45          3HD1      ILE  45   2.584   0.560  -2.426
  336    H    ASP  46           H        ASP  46   3.680   0.254  -8.252
  337    HA   ASP  46           HA       ASP  46   3.145   1.989 -10.387
  338   1HB   ASP  46          2HB       ASP  46   4.660  -0.018 -10.444
  339   2HB   ASP  46          1HB       ASP  46   3.220  -1.030 -10.518
  340    H    LYS  47           H        LYS  47   1.119  -0.288  -8.679
  341    HA   LYS  47           HA       LYS  47  -1.218   0.787  -9.980
  342   1HB   LYS  47          2HB       LYS  47  -0.495  -2.128 -10.323
  343   2HB   LYS  47          1HB       LYS  47  -2.068  -1.440 -10.702
  344   1HG   LYS  47          2HG       LYS  47  -0.899   0.089 -12.313
  345   2HG   LYS  47          1HG       LYS  47   0.560  -0.866 -12.041
  346   1HD   LYS  47          2HD       LYS  47  -2.064  -2.012 -12.985
  347   2HD   LYS  47          1HD       LYS  47  -0.747  -1.541 -14.059
  348   1HE   LYS  47          2HE       LYS  47   0.497  -3.347 -13.538
  349   2HE   LYS  47          1HE       LYS  47   0.017  -3.315 -11.841
  350   1HZ   LYS  47          1HZ       LYS  47  -1.903  -4.150 -13.915
  351   2HZ   LYS  47          2HZ       LYS  47  -1.879  -4.537 -12.269
  352   3HZ   LYS  47          3HZ       LYS  47  -0.762  -5.249 -13.320
  353    H    LEU  48           H        LEU  48  -3.241  -0.318  -9.114
  354    HA   LEU  48           HA       LEU  48  -2.813  -1.228  -6.349
  355   1HB   LEU  48          2HB       LEU  48  -4.180   1.136  -7.294
  356   2HB   LEU  48          1HB       LEU  48  -5.283   0.098  -6.409
  357    HG   LEU  48           HG       LEU  48  -3.160   0.113  -4.721
  358   1HD1  LEU  48          1HD1      LEU  48  -3.273   2.978  -5.490
  359   2HD1  LEU  48          2HD1      LEU  48  -2.246   1.901  -6.436
  360   3HD1  LEU  48          3HD1      LEU  48  -1.987   2.066  -4.699
  361   1HD2  LEU  48          1HD2      LEU  48  -5.625   0.609  -4.344
  362   2HD2  LEU  48          2HD2      LEU  48  -5.226   2.294  -4.685
  363   3HD2  LEU  48          3HD2      LEU  48  -4.475   1.468  -3.319
  364    H    GLN  49           H        GLN  49  -3.834  -3.063  -5.844
  365    HA   GLN  49           HA       GLN  49  -6.090  -3.915  -7.534
  366   1HB   GLN  49          2HB       GLN  49  -3.801  -5.584  -6.490
  367   2HB   GLN  49          1HB       GLN  49  -5.273  -6.270  -7.164
  368   1HG   GLN  49          2HG       GLN  49  -4.815  -5.127  -9.286
  369   2HG   GLN  49          1HG       GLN  49  -3.320  -4.488  -8.605
  370   1HE2  GLN  49          1HE2      GLN  49  -3.296  -5.977 -10.901
  371   2HE2  GLN  49          2HE2      GLN  49  -2.546  -7.503 -10.598
  372    H    ALA  50           H        ALA  50  -7.675  -5.234  -6.521
  373    HA   ALA  50           HA       ALA  50  -7.548  -5.433  -3.604
  374   1HB   ALA  50          1HB       ALA  50  -9.873  -4.540  -3.434
  375   2HB   ALA  50          2HB       ALA  50  -9.752  -4.049  -5.124
  376   3HB   ALA  50          3HB       ALA  50  -8.671  -3.345  -3.921
  377    H    THR  51           H        THR  51  -9.345  -6.778  -2.726
  378    HA   THR  51           HA       THR  51  -9.545  -9.202  -4.204
  379    HB   THR  51           HB       THR  51 -11.272  -9.666  -2.243
  380    HG1  THR  51           HG1      THR  51 -11.483  -7.999  -1.011
  381   1HG2  THR  51          1HG2      THR  51  -9.350 -10.068  -0.675
  382   2HG2  THR  51          2HG2      THR  51  -8.302  -9.397  -1.923
  383   3HG2  THR  51          3HG2      THR  51  -9.239 -10.854  -2.250
  384    HA   PRO  52           HA       PRO  52 -13.273  -8.597  -6.473
  385   1HB   PRO  52          2HB       PRO  52 -14.325 -11.109  -6.452
  386   2HB   PRO  52          1HB       PRO  52 -12.934 -10.649  -7.441
  387   1HG   PRO  52          2HG       PRO  52 -12.997 -12.056  -4.799
  388   2HG   PRO  52          1HG       PRO  52 -12.008 -12.404  -6.229
  389   1HD   PRO  52          2HD       PRO  52 -11.034 -11.069  -4.094
  390   2HD   PRO  52          1HD       PRO  52 -10.499 -10.724  -5.751
  391    H    ALA  53           H        ALA  53 -15.541  -8.437  -6.285
  392    HA   ALA  53           HA       ALA  53 -16.490  -7.958  -3.655
  393   1HB   ALA  53          1HB       ALA  53 -18.487  -8.247  -5.802
  394   2HB   ALA  53          2HB       ALA  53 -17.214  -7.059  -6.087
  395   3HB   ALA  53          3HB       ALA  53 -18.233  -6.934  -4.652
  396    H    SER  54           H        SER  54 -16.257 -10.810  -5.466
  397    HA   SER  54           HA       SER  54 -18.545 -12.098  -4.216
  398   1HB   SER  54          2HB       SER  54 -16.459 -13.098  -6.162
  399   2HB   SER  54          1HB       SER  54 -17.764 -14.099  -5.523
  400    HG   SER  54           HG       SER  54 -19.249 -12.766  -6.521
  401    H    SER  55           H        SER  55 -15.540 -11.329  -3.183
  402    HA   SER  55           HA       SER  55 -15.175 -13.817  -1.664
  403   1HB   SER  55          2HB       SER  55 -13.262 -11.601  -2.398
  404   2HB   SER  55          1HB       SER  55 -12.882 -12.811  -1.174
  405    HG   SER  55           HG       SER  55 -12.565 -14.241  -2.690
  406    H    GLU  56           H        GLU  56 -16.026 -13.777   0.292
  407    HA   GLU  56           HA       GLU  56 -16.933 -11.503   1.628
  408   1HB   GLU  56          2HB       GLU  56 -16.150 -14.203   2.740
  409   2HB   GLU  56          1HB       GLU  56 -17.028 -12.974   3.641
  410   1HG   GLU  56          2HG       GLU  56 -17.979 -14.327   1.126
  411   2HG   GLU  56          1HG       GLU  56 -18.519 -14.688   2.765
  412    H    LYS  57           H        LYS  57 -13.770 -12.752   1.295
  413    HA   LYS  57           HA       LYS  57 -12.755 -11.370   3.653
  414   1HB   LYS  57          2HB       LYS  57 -11.342 -13.015   1.545
  415   2HB   LYS  57          1HB       LYS  57 -10.565 -12.317   2.961
  416   1HG   LYS  57          2HG       LYS  57 -12.017 -13.669   4.405
  417   2HG   LYS  57          1HG       LYS  57 -12.748 -14.391   2.971
  418   1HD   LYS  57          2HD       LYS  57 -11.149 -15.961   3.560
  419   2HD   LYS  57          1HD       LYS  57 -10.304 -14.999   2.343
  420   1HE   LYS  57          2HE       LYS  57 -10.102 -14.428   5.289
  421   2HE   LYS  57          1HE       LYS  57  -9.019 -15.549   4.466
  422   1HZ   LYS  57          1HZ       LYS  57  -8.817 -13.445   2.870
  423   2HZ   LYS  57          2HZ       LYS  57  -7.809 -13.682   4.207
  424   3HZ   LYS  57          3HZ       LYS  57  -9.141 -12.647   4.327
  425    H    MET  58           H        MET  58 -12.313  -9.277   3.539
  426    HA   MET  58           HA       MET  58 -11.843  -8.009   0.970
  427   1HB   MET  58          2HB       MET  58 -12.110  -6.883   3.761
  428   2HB   MET  58          1HB       MET  58 -11.854  -5.903   2.325
  429   1HG   MET  58          2HG       MET  58 -14.148  -5.803   2.719
  430   2HG   MET  58          1HG       MET  58 -13.968  -6.966   1.407
  431   1HE   MET  58          1HE       MET  58 -15.102  -7.505   5.709
  432   2HE   MET  58          2HE       MET  58 -16.350  -6.852   4.648
  433   3HE   MET  58          3HE       MET  58 -14.785  -6.050   4.763
  434    H    MET  59           H        MET  59  -9.899  -7.575   0.172
  435    HA   MET  59           HA       MET  59  -7.661  -7.011   1.934
  436   1HB   MET  59          2HB       MET  59  -7.481  -9.251  -0.088
  437   2HB   MET  59          1HB       MET  59  -6.208  -8.708   0.997
  438   1HG   MET  59          2HG       MET  59  -7.576  -9.416   2.916
  439   2HG   MET  59          1HG       MET  59  -8.796 -10.018   1.796
  440   1HE   MET  59          1HE       MET  59  -4.501 -11.448   2.108
  441   2HE   MET  59          2HE       MET  59  -5.339 -11.364   3.658
  442   3HE   MET  59          3HE       MET  59  -5.198  -9.922   2.651
  443    H    LEU  60           H        LEU  60  -6.145  -5.691   1.006
  444    HA   LEU  60           HA       LEU  60  -6.629  -4.939  -1.804
  445   1HB   LEU  60          2HB       LEU  60  -7.160  -3.196  -0.100
  446   2HB   LEU  60          1HB       LEU  60  -5.478  -3.216   0.390
  447    HG   LEU  60           HG       LEU  60  -5.013  -2.656  -2.116
  448   1HD1  LEU  60          1HD1      LEU  60  -7.928  -2.378  -1.894
  449   2HD1  LEU  60          2HD1      LEU  60  -6.912  -2.635  -3.313
  450   3HD1  LEU  60          3HD1      LEU  60  -7.097  -1.014  -2.644
  451   1HD2  LEU  60          1HD2      LEU  60  -4.507  -1.183  -0.242
  452   2HD2  LEU  60          2HD2      LEU  60  -6.183  -0.635  -0.207
  453   3HD2  LEU  60          3HD2      LEU  60  -5.165  -0.269  -1.600
  454    H    ARG  61           H        ARG  61  -5.025  -5.285  -3.191
  455    HA   ARG  61           HA       ARG  61  -2.343  -5.840  -2.115
  456   1HB   ARG  61          2HB       ARG  61  -3.499  -7.688  -3.343
  457   2HB   ARG  61          1HB       ARG  61  -3.478  -6.681  -4.785
  458   1HG   ARG  61          2HG       ARG  61  -0.989  -6.616  -4.607
  459   2HG   ARG  61          1HG       ARG  61  -1.112  -7.799  -3.303
  460   1HD   ARG  61          2HD       ARG  61  -2.372  -9.272  -4.906
  461   2HD   ARG  61          1HD       ARG  61  -1.941  -8.131  -6.179
  462    HE   ARG  61           HE       ARG  61   0.196  -8.963  -6.166
  463   1HH1  ARG  61          1HH1      ARG  61  -1.483 -10.083  -3.317
  464   2HH1  ARG  61          2HH1      ARG  61  -0.234 -11.194  -2.865
  465   1HH2  ARG  61          1HH2      ARG  61   1.838 -10.425  -5.573
  466   2HH2  ARG  61          2HH2      ARG  61   1.652 -11.388  -4.145
  467    H    LEU  62           H        LEU  62  -0.693  -4.560  -2.644
  468    HA   LEU  62           HA       LEU  62  -1.106  -2.605  -4.811
  469   1HB   LEU  62          2HB       LEU  62  -0.248  -2.280  -2.043
  470   2HB   LEU  62          1HB       LEU  62   0.864  -1.547  -3.184
  471    HG   LEU  62           HG       LEU  62  -1.168  -0.389  -4.197
  472   1HD1  LEU  62          1HD1      LEU  62  -2.871  -1.807  -3.168
  473   2HD1  LEU  62          2HD1      LEU  62  -3.093  -0.114  -2.725
  474   3HD1  LEU  62          3HD1      LEU  62  -2.382  -1.242  -1.571
  475   1HD2  LEU  62          1HD2      LEU  62   0.589   0.374  -2.273
  476   2HD2  LEU  62          2HD2      LEU  62  -0.950   0.636  -1.452
  477   3HD2  LEU  62          3HD2      LEU  62  -0.626   1.431  -2.993
  478    H    ILE  63           H        ILE  63   0.323  -2.558  -6.400
  479    HA   ILE  63           HA       ILE  63   2.710  -4.259  -6.153
  480    HB   ILE  63           HB       ILE  63   1.523  -3.241  -8.728
  481   1HG1  ILE  63          2HG1      ILE  63   0.680  -5.724  -8.804
  482   2HG1  ILE  63          1HG1      ILE  63   0.791  -5.615  -7.050
  483   1HG2  ILE  63          1HG2      ILE  63   3.709  -3.976  -9.111
  484   2HG2  ILE  63          2HG2      ILE  63   2.707  -5.361  -9.546
  485   3HG2  ILE  63          3HG2      ILE  63   3.546  -5.332  -7.995
  486   1HD1  ILE  63          1HD1      ILE  63  -0.689  -3.522  -8.569
  487   2HD1  ILE  63          2HD1      ILE  63  -0.902  -4.070  -6.906
  488   3HD1  ILE  63          3HD1      ILE  63  -1.443  -5.082  -8.245
  489    H    GLY  64           H        GLY  64   4.703  -3.420  -6.322
  490   1HA   GLY  64          2HA       GLY  64   4.969  -0.542  -6.464
  491   2HA   GLY  64          1HA       GLY  64   6.253  -1.696  -6.135
  492    H    LYS  65           H        LYS  65   7.267   0.010  -7.639
  493    HA   LYS  65           HA       LYS  65   6.639  -0.067 -10.406
  494   1HB   LYS  65          2HB       LYS  65   8.741   1.116  -8.710
  495   2HB   LYS  65          1HB       LYS  65   9.230   0.764 -10.361
  496   1HG   LYS  65          2HG       LYS  65   7.380   2.098 -11.208
  497   2HG   LYS  65          1HG       LYS  65   6.861   2.438  -9.555
  498   1HD   LYS  65          2HD       LYS  65   9.047   3.517  -9.133
  499   2HD   LYS  65          1HD       LYS  65   9.479   3.246 -10.822
  500   1HE   LYS  65          2HE       LYS  65   6.896   4.581 -10.405
  501   2HE   LYS  65          1HE       LYS  65   8.301   5.501  -9.866
  502   1HZ   LYS  65          1HZ       LYS  65   9.051   5.762 -11.965
  503   2HZ   LYS  65          2HZ       LYS  65   7.416   5.563 -12.351
  504   3HZ   LYS  65          3HZ       LYS  65   8.482   4.259 -12.494
  505    H    VAL  66           H        VAL  66   8.271  -0.750 -12.075
  506    HA   VAL  66           HA       VAL  66   9.575  -3.278 -11.305
  507    HB   VAL  66           HB       VAL  66   8.151  -2.808 -13.925
  508   1HG1  VAL  66          1HG1      VAL  66  10.151  -4.545 -13.433
  509   2HG1  VAL  66          2HG1      VAL  66   8.852  -4.847 -14.589
  510   3HG1  VAL  66          3HG1      VAL  66   8.761  -5.526 -12.963
  511   1HG2  VAL  66          1HG2      VAL  66   7.061  -4.826 -12.107
  512   2HG2  VAL  66          2HG2      VAL  66   6.233  -3.618 -13.089
  513   3HG2  VAL  66          3HG2      VAL  66   6.904  -3.170 -11.522
  514    H    ASP  67           H        ASP  67   9.338  -1.240 -14.226
  515    HA   ASP  67           HA       ASP  67  12.174  -1.598 -14.713
  516   1HB   ASP  67          2HB       ASP  67  10.528  -1.714 -16.569
  517   2HB   ASP  67          1HB       ASP  67  10.135  -0.020 -16.295
  518    H    GLU  68           H        GLU  68  13.634  -0.301 -13.840
  519    HA   GLU  68           HA       GLU  68  12.982   2.550 -13.524
  520   1HB   GLU  68          2HB       GLU  68  14.441   0.818 -11.520
  521   2HB   GLU  68          1HB       GLU  68  14.260   2.563 -11.403
  522   1HG   GLU  68          2HG       GLU  68  11.813   2.268 -11.314
  523   2HG   GLU  68          1HG       GLU  68  12.050   0.521 -11.331
  524    H    SER  69           H        SER  69  14.337   1.399 -15.695
  525    HA   SER  69           HA       SER  69  17.149   1.494 -15.408
  526   1HB   SER  69          2HB       SER  69  17.234   1.421 -17.823
  527   2HB   SER  69          1HB       SER  69  15.948   0.347 -17.275
  528    HG   SER  69           HG       SER  69  14.455   1.723 -18.016
  529    H    LYS  70           H        LYS  70  14.759   3.934 -15.741
  530    HA   LYS  70           HA       LYS  70  16.224   5.988 -16.945
  531   1HB   LYS  70          2HB       LYS  70  14.045   6.154 -14.857
  532   2HB   LYS  70          1HB       LYS  70  14.640   7.520 -15.789
  533   1HG   LYS  70          2HG       LYS  70  13.958   6.283 -17.860
  534   2HG   LYS  70          1HG       LYS  70  13.171   5.105 -16.809
  535   1HD   LYS  70          2HD       LYS  70  12.573   8.062 -16.836
  536   2HD   LYS  70          1HD       LYS  70  11.620   6.834 -17.673
  537   1HE   LYS  70          2HE       LYS  70  11.614   5.751 -15.244
  538   2HE   LYS  70          1HE       LYS  70  11.828   7.438 -14.776
  539   1HZ   LYS  70          1HZ       LYS  70   9.584   7.378 -14.864
  540   2HZ   LYS  70          2HZ       LYS  70   9.530   6.126 -16.000
  541   3HZ   LYS  70          3HZ       LYS  70   9.856   7.708 -16.502
  542    H    LYS  71           H        LYS  71  16.147   4.845 -13.626
  543    HA   LYS  71           HA       LYS  71  17.807   7.021 -12.680
  544   1HB   LYS  71          2HB       LYS  71  16.812   4.521 -11.303
  545   2HB   LYS  71          1HB       LYS  71  17.722   5.804 -10.514
  546   1HG   LYS  71          2HG       LYS  71  15.960   7.352 -10.782
  547   2HG   LYS  71          1HG       LYS  71  15.104   6.292 -11.904
  548   1HD   LYS  71          2HD       LYS  71  14.007   6.176  -9.776
  549   2HD   LYS  71          1HD       LYS  71  14.846   4.648 -10.048
  550   1HE   LYS  71          2HE       LYS  71  15.320   5.197  -7.820
  551   2HE   LYS  71          1HE       LYS  71  16.768   5.660  -8.713
  552   1HZ   LYS  71          1HZ       LYS  71  15.878   7.302  -7.023
  553   2HZ   LYS  71          2HZ       LYS  71  14.620   7.603  -8.112
  554   3HZ   LYS  71          3HZ       LYS  71  16.220   7.913  -8.564
  555    H    ARG  72           H        ARG  72  19.950   6.920 -12.162
  556    HA   ARG  72           HA       ARG  72  21.492   4.866 -13.455
  557   1HB   ARG  72          2HB       ARG  72  23.432   6.172 -12.795
  558   2HB   ARG  72          1HB       ARG  72  22.201   7.226 -13.477
  559   1HG   ARG  72          2HG       ARG  72  21.496   7.761 -11.131
  560   2HG   ARG  72          1HG       ARG  72  22.926   6.885 -10.580
  561   1HD   ARG  72          2HD       ARG  72  24.321   8.406 -11.961
  562   2HD   ARG  72          1HD       ARG  72  22.868   9.323 -12.353
  563    HE   ARG  72           HE       ARG  72  22.872   9.312  -9.651
  564   1HH1  ARG  72          1HH1      ARG  72  25.281  10.158 -12.030
  565   2HH1  ARG  72          2HH1      ARG  72  26.042  11.341 -11.021
  566   1HH2  ARG  72          1HH2      ARG  72  23.871  10.868  -8.323
  567   2HH2  ARG  72          2HH2      ARG  72  25.243  11.745  -8.916
  568    H    LYS  73           H        LYS  73  22.358   3.104 -12.571
  569    HA   LYS  73           HA       LYS  73  21.798   2.474  -9.821
  570   1HB   LYS  73          2HB       LYS  73  23.331   0.937 -11.926
  571   2HB   LYS  73          1HB       LYS  73  22.875   0.308 -10.348
  572   1HG   LYS  73          2HG       LYS  73  20.489   0.698 -10.970
  573   2HG   LYS  73          1HG       LYS  73  21.043   1.099 -12.597
  574   1HD   LYS  73          2HD       LYS  73  21.568  -1.517 -11.187
  575   2HD   LYS  73          1HD       LYS  73  20.298  -1.250 -12.383
  576   1HE   LYS  73          2HE       LYS  73  22.459  -0.326 -13.724
  577   2HE   LYS  73          1HE       LYS  73  23.202  -1.585 -12.738
  578   1HZ   LYS  73          1HZ       LYS  73  20.729  -2.294 -14.100
  579   2HZ   LYS  73          2HZ       LYS  73  22.128  -3.212 -13.846
  580   3HZ   LYS  73          3HZ       LYS  73  22.085  -2.063 -15.086
  581    H    ASP  74           H        ASP  74  23.277   2.107  -8.170
  582    HA   ASP  74           HA       ASP  74  25.476   3.826  -8.034
  583   1HB   ASP  74          2HB       ASP  74  24.758   1.418  -6.361
  584   2HB   ASP  74          1HB       ASP  74  26.076   2.517  -5.968
  585    H    ASN  75           H        ASN  75  25.194   0.564  -9.144
  586    HA   ASN  75           HA       ASN  75  26.635  -0.727 -10.362
  587   1HB   ASN  75          2HB       ASN  75  27.513   1.567 -11.138
  588   2HB   ASN  75          1HB       ASN  75  28.809   1.313  -9.973
  589   1HD2  ASN  75          1HD2      ASN  75  30.570   0.455 -10.780
  590   2HD2  ASN  75          2HD2      ASN  75  30.664  -0.593 -12.148
  591    H    GLU  76           H        GLU  76  26.892   0.039  -7.199
  592    HA   GLU  76           HA       GLU  76  29.307  -1.524  -6.694
  593   1HB   GLU  76          2HB       GLU  76  27.524   0.013  -4.797
  594   2HB   GLU  76          1HB       GLU  76  29.002  -0.822  -4.342
  595   1HG   GLU  76          2HG       GLU  76  30.266   0.655  -5.859
  596   2HG   GLU  76          1HG       GLU  76  28.773   1.524  -6.212
  597    H    GLY  77           H        GLY  77  27.132  -2.932  -7.788
  598   1HA   GLY  77          2HA       GLY  77  26.055  -4.937  -7.478
  599   2HA   GLY  77          1HA       GLY  77  26.956  -5.098  -5.979
  600    H    ASN  78           H        ASN  78  24.726  -2.486  -6.768
  601    HA   ASN  78           HA       ASN  78  23.136  -3.229  -4.427
  602   1HB   ASN  78          2HB       ASN  78  23.247  -0.686  -6.057
  603   2HB   ASN  78          1HB       ASN  78  22.138  -0.945  -4.713
  604   1HD2  ASN  78          1HD2      ASN  78  23.826   1.148  -4.614
  605   2HD2  ASN  78          2HD2      ASN  78  25.062   0.878  -3.438
  606    H    GLU  79           H        GLU  79  22.980  -4.569  -7.103
  607    HA   GLU  79           HA       GLU  79  20.140  -4.026  -7.678
  608   1HB   GLU  79          2HB       GLU  79  21.667  -3.560  -9.570
  609   2HB   GLU  79          1HB       GLU  79  22.216  -5.229  -9.519
  610   1HG   GLU  79          2HG       GLU  79  19.901  -5.959  -9.995
  611   2HG   GLU  79          1HG       GLU  79  19.440  -4.266 -10.162
  612    H    VAL  80           H        VAL  80  18.706  -5.642  -7.462
  613    HA   VAL  80           HA       VAL  80  19.232  -8.377  -7.740
  614    HB   VAL  80           HB       VAL  80  20.559  -8.086  -5.683
  615   1HG1  VAL  80          1HG1      VAL  80  18.022  -7.528  -4.191
  616   2HG1  VAL  80          2HG1      VAL  80  19.005  -6.217  -4.842
  617   3HG1  VAL  80          3HG1      VAL  80  19.692  -7.330  -3.659
  618   1HG2  VAL  80          1HG2      VAL  80  18.268  -9.627  -4.664
  619   2HG2  VAL  80          2HG2      VAL  80  19.950 -10.105  -4.891
  620   3HG2  VAL  80          3HG2      VAL  80  18.844 -10.090  -6.265
  621    H    VAL  81           H        VAL  81  17.234  -6.712  -8.616
  622    HA   VAL  81           HA       VAL  81  14.891  -7.757  -7.169
  623    HB   VAL  81           HB       VAL  81  13.675  -5.684  -8.002
  624   1HG1  VAL  81          1HG1      VAL  81  15.769  -4.822  -6.079
  625   2HG1  VAL  81          2HG1      VAL  81  14.764  -6.205  -5.648
  626   3HG1  VAL  81          3HG1      VAL  81  14.017  -4.647  -5.998
  627   1HG2  VAL  81          1HG2      VAL  81  16.522  -4.847  -8.503
  628   2HG2  VAL  81          2HG2      VAL  81  15.209  -3.690  -8.281
  629   3HG2  VAL  81          3HG2      VAL  81  15.163  -4.828  -9.628
  630    HA   PRO  82           HA       PRO  82  14.821  -9.215 -11.583
  631   1HB   PRO  82          2HB       PRO  82  13.797 -11.669 -10.970
  632   2HB   PRO  82          1HB       PRO  82  15.529 -11.315 -10.993
  633   1HG   PRO  82          2HG       PRO  82  13.650 -11.444  -8.665
  634   2HG   PRO  82          1HG       PRO  82  15.300 -12.078  -8.808
  635   1HD   PRO  82          2HD       PRO  82  14.757  -9.768  -7.526
  636   2HD   PRO  82          1HD       PRO  82  16.261 -10.007  -8.440
  637    H    LYS  83           H        LYS  83  12.473  -9.239  -8.983
  638    HA   LYS  83           HA       LYS  83  10.349  -8.807 -10.972
  639   1HB   LYS  83          2HB       LYS  83  10.449 -10.770  -8.738
  640   2HB   LYS  83          1HB       LYS  83   8.913  -9.973  -9.046
  641   1HG   LYS  83          2HG       LYS  83   9.307 -10.693 -11.499
  642   2HG   LYS  83          1HG       LYS  83  10.462 -11.829 -10.800
  643   1HD   LYS  83          2HD       LYS  83   8.782 -12.910  -9.537
  644   2HD   LYS  83          1HD       LYS  83   7.624 -11.610  -9.826
  645   1HE   LYS  83          2HE       LYS  83   8.177 -12.355 -12.365
  646   2HE   LYS  83          1HE       LYS  83   8.381 -13.893 -11.527
  647   1HZ   LYS  83          1HZ       LYS  83   5.964 -12.210 -11.722
  648   2HZ   LYS  83          2HZ       LYS  83   6.131 -13.350 -10.484
  649   3HZ   LYS  83          3HZ       LYS  83   6.147 -13.849 -12.100
  650    HA   PRO  84           HA       PRO  84   9.240  -5.256  -8.613
  651   1HB   PRO  84          2HB       PRO  84   6.536  -5.211  -8.875
  652   2HB   PRO  84          1HB       PRO  84   7.638  -4.797 -10.193
  653   1HG   PRO  84          2HG       PRO  84   6.194  -7.366  -9.667
  654   2HG   PRO  84          1HG       PRO  84   6.423  -6.505 -11.200
  655   1HD   PRO  84          2HD       PRO  84   7.922  -8.645 -10.502
  656   2HD   PRO  84          1HD       PRO  84   8.567  -7.312 -11.478
  657    H    GLN  85           H        GLN  85   8.345  -4.543  -6.642
  658    HA   GLN  85           HA       GLN  85   7.678  -6.725  -4.802
  659   1HB   GLN  85          2HB       GLN  85   8.298  -5.194  -3.015
  660   2HB   GLN  85          1HB       GLN  85   9.586  -5.284  -4.208
  661   1HG   GLN  85          2HG       GLN  85   8.811  -3.170  -5.183
  662   2HG   GLN  85          1HG       GLN  85   7.555  -3.077  -3.949
  663   1HE2  GLN  85          1HE2      GLN  85   8.058  -2.356  -1.947
  664   2HE2  GLN  85          2HE2      GLN  85   9.625  -1.799  -1.482
  665    H    ARG  86           H        ARG  86   5.695  -6.955  -3.997
  666    HA   ARG  86           HA       ARG  86   3.824  -4.687  -4.213
  667   1HB   ARG  86          2HB       ARG  86   2.026  -6.282  -4.668
  668   2HB   ARG  86          1HB       ARG  86   3.294  -6.404  -5.880
  669   1HG   ARG  86          2HG       ARG  86   3.496  -8.221  -3.560
  670   2HG   ARG  86          1HG       ARG  86   2.190  -8.527  -4.706
  671   1HD   ARG  86          2HD       ARG  86   3.868  -8.501  -6.537
  672   2HD   ARG  86          1HD       ARG  86   5.136  -8.343  -5.322
  673    HE   ARG  86           HE       ARG  86   3.786 -10.558  -4.539
  674   1HH1  ARG  86          1HH1      ARG  86   5.238  -9.575  -7.557
  675   2HH1  ARG  86          2HH1      ARG  86   5.604 -11.193  -8.052
  676   1HH2  ARG  86          1HH2      ARG  86   4.267 -12.687  -5.189
  677   2HH2  ARG  86          2HH2      ARG  86   5.052 -12.960  -6.708
  678    H    HIS  87           H        HIS  87   2.417  -4.350  -2.517
  679    HA   HIS  87           HA       HIS  87   3.040  -5.848  -0.066
  680   1HB   HIS  87          2HB       HIS  87   2.090  -3.041  -0.567
  681   2HB   HIS  87          1HB       HIS  87   1.854  -3.799   1.004
  682    HD1  HIS  87           HD1      HIS  87   3.685  -3.374   2.602
  683    HD2  HIS  87           HD2      HIS  87   5.004  -3.189  -1.334
  684    HE1  HIS  87           HE1      HIS  87   6.112  -2.732   2.737
  685    HE2  HIS  87           HE2      HIS  87   6.912  -2.713   0.347
  686    H    MET  88           H        MET  88   1.603  -7.325   0.513
  687    HA   MET  88           HA       MET  88  -1.143  -7.135  -0.454
  688   1HB   MET  88          2HB       MET  88   0.429  -9.256  -0.428
  689   2HB   MET  88          1HB       MET  88  -0.161  -9.408   1.221
  690   1HG   MET  88          2HG       MET  88  -1.872  -9.297  -1.253
  691   2HG   MET  88          1HG       MET  88  -1.458 -10.752  -0.349
  692   1HE   MET  88          1HE       MET  88  -3.163  -9.863   3.140
  693   2HE   MET  88          2HE       MET  88  -1.547  -9.369   2.634
  694   3HE   MET  88          3HE       MET  88  -2.112 -11.007   2.304
  695    H    PHE  89           H        PHE  89  -2.679  -6.270   0.758
  696    HA   PHE  89           HA       PHE  89  -2.318  -6.237   3.681
  697   1HB   PHE  89          2HB       PHE  89  -3.665  -4.275   1.829
  698   2HB   PHE  89          1HB       PHE  89  -3.932  -4.263   3.569
  699    HD1  PHE  89           HD1      PHE  89  -1.590  -3.540   0.881
  700    HD2  PHE  89           HD2      PHE  89  -2.144  -3.650   5.098
  701    HE1  PHE  89           HE1      PHE  89   0.430  -2.168   1.177
  702    HE2  PHE  89           HE2      PHE  89  -0.123  -2.275   5.403
  703    HZ   PHE  89           HZ       PHE  89   1.167  -1.533   3.441
  704    H    SER  90           H        SER  90  -4.274  -6.343   4.978
  705    HA   SER  90           HA       SER  90  -6.466  -7.798   3.650
  706   1HB   SER  90          2HB       SER  90  -4.699  -8.971   5.391
  707   2HB   SER  90          1HB       SER  90  -6.011  -8.498   6.470
  708    HG   SER  90           HG       SER  90  -7.386  -9.788   5.394
  709    H    PHE  91           H        PHE  91  -8.342  -6.781   3.859
  710    HA   PHE  91           HA       PHE  91  -8.642  -4.798   5.989
  711   1HB   PHE  91          2HB       PHE  91  -9.872  -5.168   3.290
  712   2HB   PHE  91          1HB       PHE  91 -10.746  -4.253   4.515
  713    HD1  PHE  91           HD1      PHE  91 -10.096  -2.075   5.116
  714    HD2  PHE  91           HD2      PHE  91  -7.651  -4.406   2.533
  715    HE1  PHE  91           HE1      PHE  91  -8.755  -0.073   4.582
  716    HE2  PHE  91           HE2      PHE  91  -6.308  -2.422   1.993
  717    HZ   PHE  91           HZ       PHE  91  -6.858  -0.247   3.018
  718    H    ASN  92           H        ASN  92 -10.334  -4.784   7.396
  719    HA   ASN  92           HA       ASN  92 -11.820  -7.301   7.614
  720   1HB   ASN  92          2HB       ASN  92 -10.839  -5.283   9.559
  721   2HB   ASN  92          1HB       ASN  92 -12.377  -6.055   9.933
  722   1HD2  ASN  92          1HD2      ASN  92  -9.590  -7.426   8.267
  723   2HD2  ASN  92          2HD2      ASN  92  -9.267  -8.654   9.439
  724    H    ASN  93           H        ASN  93 -12.306  -4.569   6.054
  725    HA   ASN  93           HA       ASN  93 -15.160  -4.733   6.305
  726   1HB   ASN  93          2HB       ASN  93 -14.256  -3.080   8.096
  727   2HB   ASN  93          1HB       ASN  93 -14.002  -2.000   6.728
  728   1HD2  ASN  93          1HD2      ASN  93 -15.575  -0.597   6.523
  729   2HD2  ASN  93          2HD2      ASN  93 -17.250  -0.885   6.822
  730    H    ARG  94           H        ARG  94 -16.105  -4.392   4.400
  731    HA   ARG  94           HA       ARG  94 -14.604  -3.971   2.070
  732   1HB   ARG  94          2HB       ARG  94 -17.577  -3.714   2.545
  733   2HB   ARG  94          1HB       ARG  94 -16.826  -3.698   0.956
  734   1HG   ARG  94          2HG       ARG  94 -15.911  -5.963   1.442
  735   2HG   ARG  94          1HG       ARG  94 -16.862  -5.968   2.929
  736   1HD   ARG  94          2HD       ARG  94 -18.891  -5.544   1.495
  737   2HD   ARG  94          1HD       ARG  94 -17.868  -5.851   0.092
  738    HE   ARG  94           HE       ARG  94 -17.646  -7.988   1.914
  739   1HH1  ARG  94          1HH1      ARG  94 -19.900  -6.588  -0.352
  740   2HH1  ARG  94          2HH1      ARG  94 -20.698  -8.089  -0.678
  741   1HH2  ARG  94          1HH2      ARG  94 -18.694  -9.965   1.486
  742   2HH2  ARG  94          2HH2      ARG  94 -20.014 -10.007   0.366
  743    H    THR  95           H        THR  95 -16.562  -1.753   4.019
  744    HA   THR  95           HA       THR  95 -16.427   0.442   2.306
  745    HB   THR  95           HB       THR  95 -16.500   0.901   5.218
  746    HG1  THR  95           HG1      THR  95 -18.555  -0.557   3.933
  747   1HG2  THR  95          1HG2      THR  95 -17.168   2.615   3.571
  748   2HG2  THR  95          2HG2      THR  95 -18.439   2.199   4.722
  749   3HG2  THR  95          3HG2      THR  95 -18.489   1.556   3.081
  750    H    VAL  96           H        VAL  96 -14.376  -0.644   4.927
  751    HA   VAL  96           HA       VAL  96 -12.646   1.608   4.859
  752    HB   VAL  96           HB       VAL  96 -12.147  -1.131   6.027
  753   1HG1  VAL  96          1HG1      VAL  96 -10.548   1.347   5.940
  754   2HG1  VAL  96          2HG1      VAL  96 -10.033  -0.332   6.094
  755   3HG1  VAL  96          3HG1      VAL  96 -10.638   0.537   7.504
  756   1HG2  VAL  96          1HG2      VAL  96 -13.284  -0.538   7.868
  757   2HG2  VAL  96          2HG2      VAL  96 -14.049   0.654   6.818
  758   3HG2  VAL  96          3HG2      VAL  96 -12.679   1.118   7.828
  759    H    MET  97           H        MET  97 -12.725  -1.506   3.319
  760    HA   MET  97           HA       MET  97 -10.070  -1.286   2.234
  761   1HB   MET  97          2HB       MET  97 -10.341  -3.422   1.463
  762   2HB   MET  97          1HB       MET  97 -11.541  -3.426   2.745
  763   1HG   MET  97          2HG       MET  97 -12.860  -4.274   1.148
  764   2HG   MET  97          1HG       MET  97 -13.056  -2.586   0.686
  765   1HE   MET  97          1HE       MET  97 -13.185  -5.461  -1.551
  766   2HE   MET  97          2HE       MET  97 -12.294  -5.939  -0.106
  767   3HE   MET  97          3HE       MET  97 -11.506  -5.988  -1.683
  768    H    ASP  98           H        ASP  98 -13.308  -0.484   1.224
  769    HA   ASP  98           HA       ASP  98 -12.526   0.014  -1.498
  770   1HB   ASP  98          2HB       ASP  98 -15.117   0.511  -0.030
  771   2HB   ASP  98          1HB       ASP  98 -14.878   0.834  -1.744
  772    H    ASN  99           H        ASN  99 -12.824   1.768   1.451
  773    HA   ASN  99           HA       ASN  99 -12.975   4.363   0.288
  774   1HB   ASN  99          2HB       ASN  99 -12.604   3.272   3.029
  775   2HB   ASN  99          1HB       ASN  99 -12.088   4.931   2.738
  776   1HD2  ASN  99          1HD2      ASN  99 -14.793   3.157   1.325
  777   2HD2  ASN  99          2HD2      ASN  99 -16.027   4.203   1.935
  778    H    ILE 100           H        ILE 100 -10.427   2.230   1.278
  779    HA   ILE 100           HA       ILE 100  -8.358   4.231   0.982
  780    HB   ILE 100           HB       ILE 100  -8.126   1.248   1.413
  781   1HG1  ILE 100          2HG1      ILE 100  -9.241   2.515   3.255
  782   2HG1  ILE 100          1HG1      ILE 100  -7.722   1.768   3.736
  783   1HG2  ILE 100          1HG2      ILE 100  -5.803   1.798   2.120
  784   2HG2  ILE 100          2HG2      ILE 100  -6.056   3.434   1.514
  785   3HG2  ILE 100          3HG2      ILE 100  -6.114   2.064   0.405
  786   1HD1  ILE 100          1HD1      ILE 100  -6.592   3.871   3.648
  787   2HD1  ILE 100          2HD1      ILE 100  -8.059   4.062   4.608
  788   3HD1  ILE 100          3HD1      ILE 100  -8.008   4.655   2.948
  789    H    LYS 101           H        LYS 101  -9.476   1.343  -0.744
  790    HA   LYS 101           HA       LYS 101  -7.537   1.312  -2.757
  791   1HB   LYS 101          2HB       LYS 101  -9.107  -0.539  -2.341
  792   2HB   LYS 101          1HB       LYS 101 -10.432   0.454  -2.932
  793   1HG   LYS 101          2HG       LYS 101  -9.305   0.566  -5.133
  794   2HG   LYS 101          1HG       LYS 101  -8.076  -0.543  -4.520
  795   1HD   LYS 101          2HD       LYS 101  -9.487  -2.039  -5.519
  796   2HD   LYS 101          1HD       LYS 101 -10.199  -1.991  -3.904
  797   1HE   LYS 101          2HE       LYS 101 -11.854  -1.826  -5.762
  798   2HE   LYS 101          1HE       LYS 101 -11.902  -0.480  -4.624
  799   1HZ   LYS 101          1HZ       LYS 101 -10.277  -0.270  -7.068
  800   2HZ   LYS 101          2HZ       LYS 101 -10.992   0.958  -6.152
  801   3HZ   LYS 101          3HZ       LYS 101 -11.948  -0.017  -7.151
  802    H    MET 102           H        MET 102 -10.458   3.198  -2.385
  803    HA   MET 102           HA       MET 102 -10.433   4.214  -5.064
  804   1HB   MET 102          2HB       MET 102 -12.535   4.018  -3.844
  805   2HB   MET 102          1HB       MET 102 -11.942   5.127  -2.616
  806   1HG   MET 102          2HG       MET 102 -13.284   6.483  -3.889
  807   2HG   MET 102          1HG       MET 102 -11.692   6.787  -4.582
  808   1HE   MET 102          1HE       MET 102 -15.454   5.775  -6.159
  809   2HE   MET 102          2HE       MET 102 -14.908   5.144  -4.605
  810   3HE   MET 102          3HE       MET 102 -14.951   4.090  -6.019
  811    H    THR 103           H        THR 103  -9.634   5.517  -1.897
  812    HA   THR 103           HA       THR 103  -8.828   8.057  -2.804
  813    HB   THR 103           HB       THR 103  -9.336   7.202  -0.386
  814    HG1  THR 103           HG1      THR 103  -8.642   9.358  -1.083
  815   1HG2  THR 103          1HG2      THR 103  -7.555   5.560  -0.206
  816   2HG2  THR 103          2HG2      THR 103  -7.359   6.847   0.982
  817   3HG2  THR 103          3HG2      THR 103  -6.353   6.824  -0.467
  818    H    LEU 104           H        LEU 104  -7.087   5.037  -2.315
  819    HA   LEU 104           HA       LEU 104  -4.497   6.054  -2.805
  820   1HB   LEU 104          2HB       LEU 104  -5.687   3.296  -3.012
  821   2HB   LEU 104          1HB       LEU 104  -4.002   3.611  -3.382
  822    HG   LEU 104           HG       LEU 104  -5.359   4.019  -0.717
  823   1HD1  LEU 104          1HD1      LEU 104  -3.818   2.268   0.032
  824   2HD1  LEU 104          2HD1      LEU 104  -3.228   2.087  -1.621
  825   3HD1  LEU 104          3HD1      LEU 104  -4.902   1.689  -1.234
  826   1HD2  LEU 104          1HD2      LEU 104  -2.557   4.649  -1.626
  827   2HD2  LEU 104          2HD2      LEU 104  -3.038   4.532   0.066
  828   3HD2  LEU 104          3HD2      LEU 104  -3.755   5.765  -0.971
  829    H    GLN 105           H        GLN 105  -7.081   4.935  -4.890
  830    HA   GLN 105           HA       GLN 105  -5.551   4.685  -7.253
  831   1HB   GLN 105          2HB       GLN 105  -8.487   5.086  -6.738
  832   2HB   GLN 105          1HB       GLN 105  -7.842   5.011  -8.372
  833   1HG   GLN 105          2HG       GLN 105  -7.109   2.828  -6.510
  834   2HG   GLN 105          1HG       GLN 105  -8.768   2.878  -7.104
  835   1HE2  GLN 105          1HE2      GLN 105  -5.414   2.544  -7.985
  836   2HE2  GLN 105          2HE2      GLN 105  -5.686   1.883  -9.558
  837    H    GLN 106           H        GLN 106  -7.122   7.368  -5.692
  838    HA   GLN 106           HA       GLN 106  -7.010   9.188  -7.845
  839   1HB   GLN 106          2HB       GLN 106  -7.024   9.679  -4.861
  840   2HB   GLN 106          1HB       GLN 106  -7.210  10.941  -6.070
  841   1HG   GLN 106          2HG       GLN 106  -9.254   9.909  -6.867
  842   2HG   GLN 106          1HG       GLN 106  -9.057   8.591  -5.712
  843   1HE2  GLN 106          1HE2      GLN 106 -11.351  10.097  -5.782
  844   2HE2  GLN 106          2HE2      GLN 106 -11.456  11.057  -4.350
  845    H    ILE 107           H        ILE 107  -4.758   8.414  -5.240
  846    HA   ILE 107           HA       ILE 107  -2.854  10.402  -5.704
  847    HB   ILE 107           HB       ILE 107  -2.421   7.564  -4.757
  848   1HG1  ILE 107          2HG1      ILE 107  -2.587  10.081  -3.100
  849   2HG1  ILE 107          1HG1      ILE 107  -3.993   9.077  -3.441
  850   1HG2  ILE 107          1HG2      ILE 107  -0.246   7.968  -4.722
  851   2HG2  ILE 107          2HG2      ILE 107  -0.506   9.389  -3.710
  852   3HG2  ILE 107          3HG2      ILE 107  -0.528   9.540  -5.468
  853   1HD1  ILE 107          1HD1      ILE 107  -3.473   7.755  -1.754
  854   2HD1  ILE 107          2HD1      ILE 107  -2.093   8.789  -1.385
  855   3HD1  ILE 107          3HD1      ILE 107  -1.899   7.415  -2.473
  856    H    ILE 108           H        ILE 108  -3.244   7.194  -7.114
  857    HA   ILE 108           HA       ILE 108  -0.984   7.011  -8.703
  858    HB   ILE 108           HB       ILE 108  -3.691   6.169  -9.692
  859   1HG1  ILE 108          2HG1      ILE 108  -3.742   5.378  -7.473
  860   2HG1  ILE 108          1HG1      ILE 108  -3.234   4.000  -8.443
  861   1HG2  ILE 108          1HG2      ILE 108  -0.880   5.241 -10.115
  862   2HG2  ILE 108          2HG2      ILE 108  -2.092   5.725 -11.302
  863   3HG2  ILE 108          3HG2      ILE 108  -2.256   4.187 -10.453
  864   1HD1  ILE 108          1HD1      ILE 108  -1.343   5.783  -6.935
  865   2HD1  ILE 108          2HD1      ILE 108  -0.969   4.259  -7.740
  866   3HD1  ILE 108          3HD1      ILE 108  -2.000   4.272  -6.310
  867    H    SER 109           H        SER 109  -4.126   8.295  -9.509
  868    HA   SER 109           HA       SER 109  -3.644   9.153 -12.099
  869   1HB   SER 109          2HB       SER 109  -5.881   9.099 -11.013
  870   2HB   SER 109          1HB       SER 109  -5.432  10.531 -10.088
  871    HG   SER 109           HG       SER 109  -5.481  10.388 -12.922
  872    H    ARG 110           H        ARG 110  -2.730  10.623  -9.094
  873    HA   ARG 110           HA       ARG 110  -2.100  13.175 -10.165
  874   1HB   ARG 110          2HB       ARG 110  -1.157  11.865  -7.615
  875   2HB   ARG 110          1HB       ARG 110  -0.941  13.561  -8.020
  876   1HG   ARG 110          2HG       ARG 110  -3.397  13.818  -8.096
  877   2HG   ARG 110          1HG       ARG 110  -3.557  12.138  -7.577
  878   1HD   ARG 110          2HD       ARG 110  -2.195  12.732  -5.557
  879   2HD   ARG 110          1HD       ARG 110  -2.309  14.421  -6.055
  880    HE   ARG 110           HE       ARG 110  -4.894  13.378  -5.954
  881   1HH1  ARG 110          1HH1      ARG 110  -2.268  14.108  -3.775
  882   2HH1  ARG 110          2HH1      ARG 110  -3.308  14.414  -2.425
  883   1HH2  ARG 110          1HH2      ARG 110  -6.264  13.782  -4.179
  884   2HH2  ARG 110          2HH2      ARG 110  -5.577  14.230  -2.654
  885    H    TYR 111           H        TYR 111  -0.318  10.229  -9.622
  886    HA   TYR 111           HA       TYR 111   2.233  11.349 -10.266
  887   1HB   TYR 111          2HB       TYR 111   1.211   8.549  -9.898
  888   2HB   TYR 111          1HB       TYR 111   2.834   8.839 -10.517
  889    HD1  TYR 111           HD1      TYR 111   0.784   8.616  -7.594
  890    HD2  TYR 111           HD2      TYR 111   4.420  10.239  -9.090
  891    HE1  TYR 111           HE1      TYR 111   1.609   8.874  -5.292
  892    HE2  TYR 111           HE2      TYR 111   5.256  10.500  -6.792
  893    HH   TYR 111           HH       TYR 111   3.232  10.154  -4.050
  894    H    LYS 112           H        LYS 112  -0.345   9.852 -12.024
  895    HA   LYS 112           HA       LYS 112   1.142   9.408 -14.419
  896   1HB   LYS 112          2HB       LYS 112  -1.809   9.391 -13.803
  897   2HB   LYS 112          1HB       LYS 112  -1.171   9.076 -15.411
  898   1HG   LYS 112          2HG       LYS 112  -0.356   7.031 -14.844
  899   2HG   LYS 112          1HG       LYS 112  -0.070   7.489 -13.163
  900   1HD   LYS 112          2HD       LYS 112  -1.877   5.882 -13.279
  901   2HD   LYS 112          1HD       LYS 112  -2.507   7.450 -12.770
  902   1HE   LYS 112          2HE       LYS 112  -4.025   6.563 -14.374
  903   2HE   LYS 112          1HE       LYS 112  -3.137   7.868 -15.159
  904   1HZ   LYS 112          1HZ       LYS 112  -3.114   5.018 -15.708
  905   2HZ   LYS 112          2HZ       LYS 112  -1.607   5.782 -15.778
  906   3HZ   LYS 112          3HZ       LYS 112  -2.876   6.326 -16.754
  907    H    ASP 113           H        ASP 113  -0.791  11.996 -13.096
  908    HA   ASP 113           HA       ASP 113  -1.299  13.462 -15.420
  909   1HB   ASP 113          2HB       ASP 113  -2.300  13.910 -13.177
  910   2HB   ASP 113          1HB       ASP 113  -0.755  14.584 -12.665
  911    H    ALA 114           H        ALA 114   1.540  13.342 -13.342
  912    HA   ALA 114           HA       ALA 114   2.917  15.547 -14.393
  913   1HB   ALA 114          1HB       ALA 114   3.540  14.395 -12.309
  914   2HB   ALA 114          2HB       ALA 114   4.906  14.577 -13.410
  915   3HB   ALA 114          3HB       ALA 114   4.098  13.015 -13.256
  916    H    ASP 115           H        ASP 115   2.595  12.246 -15.520
  917    HA   ASP 115           HA       ASP 115   4.576  12.657 -17.617
  918   1HB   ASP 115          2HB       ASP 115   4.482  10.496 -16.397
  919   2HB   ASP 115          1HB       ASP 115   2.864  10.231 -17.038
  Start of MODEL    6
    1    HT1  PRO   1           HT2      PRO   1 -13.950   9.367   6.399
    2    HT2  PRO   1           HT1      PRO   1 -13.665  10.267   4.979
    3    HA   PRO   1           HA       PRO   1 -14.801   7.760   5.293
    4   1HB   PRO   1          2HB       PRO   1 -16.708   8.801   3.551
    5   2HB   PRO   1          1HB       PRO   1 -16.988   8.309   5.225
    6   1HG   PRO   1          2HG       PRO   1 -16.525  11.028   4.104
    7   2HG   PRO   1          1HG       PRO   1 -17.538  10.534   5.469
    8   1HD   PRO   1          2HD       PRO   1 -15.135  11.752   5.799
    9   2HD   PRO   1          1HD       PRO   1 -15.766  10.563   6.956
   10    H    SER   2           H        SER   2 -12.455   8.863   4.244
   11    HA   SER   2           HA       SER   2 -12.539   7.817   1.573
   12   1HB   SER   2          2HB       SER   2 -13.274  10.301   1.448
   13   2HB   SER   2          1HB       SER   2 -11.580  10.661   1.776
   14    HG   SER   2           HG       SER   2 -12.659   9.222  -0.412
   15    H    HIS   3           H        HIS   3 -10.673   9.707   3.924
   16    HA   HIS   3           HA       HIS   3  -8.235   8.329   3.042
   17   1HB   HIS   3          2HB       HIS   3  -8.707  10.878   4.574
   18   2HB   HIS   3          1HB       HIS   3  -7.133  10.090   4.566
   19    HD1  HIS   3           HD1      HIS   3  -9.642  11.133   1.887
   20    HD2  HIS   3           HD2      HIS   3  -5.559  11.150   2.656
   21    HE1  HIS   3           HE1      HIS   3  -8.586  12.233  -0.111
   22    HE2  HIS   3           HE2      HIS   3  -6.109  12.155   0.337
   23    H    SER   4           H        SER   4  -6.709   7.639   4.733
   24    HA   SER   4           HA       SER   4  -6.197   6.317   6.511
   25   1HB   SER   4          2HB       SER   4  -6.825   7.087   8.643
   26   2HB   SER   4          1HB       SER   4  -6.882   8.535   7.639
   27    HG   SER   4           HG       SER   4  -8.750   8.374   8.910
   28    H    GLY   5           H        GLY   5  -7.178   4.781   8.205
   29   1HA   GLY   5          2HA       GLY   5  -9.574   3.720   8.473
   30   2HA   GLY   5          1HA       GLY   5  -9.234   3.233   6.817
   31    H    ALA   6           H        ALA   6  -9.637   1.571   9.207
   32    HA   ALA   6           HA       ALA   6  -7.137   0.549  10.056
   33   1HB   ALA   6          1HB       ALA   6  -8.431  -1.319  10.981
   34   2HB   ALA   6          2HB       ALA   6  -9.868  -0.711  10.157
   35   3HB   ALA   6          3HB       ALA   6  -9.104   0.251  11.422
   36    H    ALA   7           H        ALA   7  -5.945  -1.153   9.361
   37    HA   ALA   7           HA       ALA   7  -6.900  -2.926   7.309
   38   1HB   ALA   7          1HB       ALA   7  -6.259  -0.982   5.979
   39   2HB   ALA   7          2HB       ALA   7  -5.211  -2.361   5.646
   40   3HB   ALA   7          3HB       ALA   7  -4.637  -1.045   6.671
   41    H    ILE   8           H        ILE   8  -5.624  -4.783   7.029
   42    HA   ILE   8           HA       ILE   8  -3.686  -5.230   9.177
   43    HB   ILE   8           HB       ILE   8  -4.824  -7.243   7.247
   44   1HG1  ILE   8          2HG1      ILE   8  -5.751  -6.808  10.076
   45   2HG1  ILE   8          1HG1      ILE   8  -6.531  -6.033   8.696
   46   1HG2  ILE   8          1HG2      ILE   8  -3.794  -7.886   9.970
   47   2HG2  ILE   8          2HG2      ILE   8  -2.659  -7.655   8.643
   48   3HG2  ILE   8          3HG2      ILE   8  -3.895  -8.905   8.536
   49   1HD1  ILE   8          1HD1      ILE   8  -6.101  -8.975   8.695
   50   2HD1  ILE   8          2HD1      ILE   8  -7.327  -8.009   7.866
   51   3HD1  ILE   8          3HD1      ILE   8  -7.444  -8.275   9.607
   52    H    PHE   9           H        PHE   9  -1.616  -5.886   8.836
   53    HA   PHE   9           HA       PHE   9  -0.670  -6.297   6.116
   54   1HB   PHE   9          2HB       PHE   9  -0.377  -3.893   6.457
   55   2HB   PHE   9          1HB       PHE   9   0.510  -4.198   7.944
   56    HD1  PHE   9           HD1      PHE   9   2.757  -3.848   7.757
   57    HD2  PHE   9           HD2      PHE   9   0.651  -5.465   4.436
   58    HE1  PHE   9           HE1      PHE   9   4.861  -3.953   6.483
   59    HE2  PHE   9           HE2      PHE   9   2.749  -5.576   3.153
   60    HZ   PHE   9           HZ       PHE   9   4.857  -4.820   4.177
   61    H    GLU  10           H        GLU  10   0.114  -8.277   6.340
   62    HA   GLU  10           HA       GLU  10   1.594  -9.914   6.889
   63   1HB   GLU  10          2HB       GLU  10   2.688  -8.066   9.006
   64   2HB   GLU  10          1HB       GLU  10   3.458  -9.501   8.348
   65   1HG   GLU  10          2HG       GLU  10   3.573  -8.386   6.150
   66   2HG   GLU  10          1HG       GLU  10   2.900  -6.932   6.885
   67    H    LYS  11           H        LYS  11  -0.918 -10.126   7.798
   68    HA   LYS  11           HA       LYS  11  -2.224 -11.230   9.255
   69   1HB   LYS  11          2HB       LYS  11   0.508 -12.171   9.918
   70   2HB   LYS  11          1HB       LYS  11  -0.820 -12.650  10.968
   71   1HG   LYS  11          2HG       LYS  11  -1.080 -12.994   8.023
   72   2HG   LYS  11          1HG       LYS  11  -0.105 -14.142   8.947
   73   1HD   LYS  11          2HD       LYS  11  -2.081 -14.472  10.453
   74   2HD   LYS  11          1HD       LYS  11  -3.023 -13.489   9.331
   75   1HE   LYS  11          2HE       LYS  11  -2.939 -15.082   7.657
   76   2HE   LYS  11          1HE       LYS  11  -1.488 -15.839   8.312
   77   1HZ   LYS  11          1HZ       LYS  11  -2.973 -17.357   9.013
   78   2HZ   LYS  11          2HZ       LYS  11  -4.277 -16.280   8.991
   79   3HZ   LYS  11          3HZ       LYS  11  -3.199 -16.276  10.294
   80    H    VAL  12           H        VAL  12  -0.874  -8.510  10.031
   81    HA   VAL  12           HA       VAL  12  -1.829  -8.593  12.786
   82    HB   VAL  12           HB       VAL  12   0.501  -6.987  11.736
   83   1HG1  VAL  12          1HG1      VAL  12  -0.682  -6.989  14.510
   84   2HG1  VAL  12          2HG1      VAL  12  -0.873  -5.696  13.326
   85   3HG1  VAL  12          3HG1      VAL  12   0.725  -6.074  13.970
   86   1HG2  VAL  12          1HG2      VAL  12   1.484  -8.315  13.837
   87   2HG2  VAL  12          2HG2      VAL  12   1.510  -8.960  12.197
   88   3HG2  VAL  12          3HG2      VAL  12   0.250  -9.465  13.324
   89    H    SER  13           H        SER  13  -3.204  -6.932  13.370
   90    HA   SER  13           HA       SER  13  -4.089  -5.262  11.126
   91   1HB   SER  13          2HB       SER  13  -5.573  -5.691  13.720
   92   2HB   SER  13          1HB       SER  13  -6.216  -5.126  12.178
   93    HG   SER  13           HG       SER  13  -6.307  -7.537  12.992
   94    H    GLY  14           H        GLY  14  -4.463  -3.103  11.311
   95   1HA   GLY  14          2HA       GLY  14  -3.982  -1.607  13.692
   96   2HA   GLY  14          1HA       GLY  14  -2.611  -1.533  12.588
   97    H    ILE  15           H        ILE  15  -3.568   0.838  12.958
   98    HA   ILE  15           HA       ILE  15  -5.702   1.360  11.047
   99    HB   ILE  15           HB       ILE  15  -4.289   3.175  12.994
  100   1HG1  ILE  15          2HG1      ILE  15  -6.471   1.360  13.204
  101   2HG1  ILE  15          1HG1      ILE  15  -5.842   2.450  14.436
  102   1HG2  ILE  15          1HG2      ILE  15  -6.495   3.826  11.039
  103   2HG2  ILE  15          2HG2      ILE  15  -4.856   4.477  11.038
  104   3HG2  ILE  15          3HG2      ILE  15  -5.963   4.880  12.350
  105   1HD1  ILE  15          1HD1      ILE  15  -7.334   4.223  13.506
  106   2HD1  ILE  15          2HD1      ILE  15  -8.175   2.842  14.211
  107   3HD1  ILE  15          3HD1      ILE  15  -8.042   2.993  12.458
  108    H    ILE  16           H        ILE  16  -5.398   2.062   9.076
  109    HA   ILE  16           HA       ILE  16  -2.686   2.725   8.207
  110    HB   ILE  16           HB       ILE  16  -4.922   1.251   7.078
  111   1HG1  ILE  16          2HG1      ILE  16  -1.994   1.561   6.424
  112   2HG1  ILE  16          1HG1      ILE  16  -2.781   0.259   7.305
  113   1HG2  ILE  16          1HG2      ILE  16  -3.745   3.443   5.379
  114   2HG2  ILE  16          2HG2      ILE  16  -5.444   3.133   5.730
  115   3HG2  ILE  16          3HG2      ILE  16  -4.539   2.020   4.707
  116   1HD1  ILE  16          1HD1      ILE  16  -2.899  -0.882   5.419
  117   2HD1  ILE  16          2HD1      ILE  16  -2.267   0.490   4.509
  118   3HD1  ILE  16          3HD1      ILE  16  -4.002   0.340   4.785
  119    H    ALA  17           H        ALA  17  -2.194   4.786   7.874
  120    HA   ALA  17           HA       ALA  17  -4.363   6.665   7.196
  121   1HB   ALA  17          1HB       ALA  17  -3.029   8.417   8.308
  122   2HB   ALA  17          2HB       ALA  17  -1.868   7.187   8.808
  123   3HB   ALA  17          3HB       ALA  17  -3.523   7.134   9.413
  124    H    ILE  18           H        ILE  18  -4.025   8.113   5.553
  125    HA   ILE  18           HA       ILE  18  -1.648   7.616   3.907
  126    HB   ILE  18           HB       ILE  18  -4.485   8.150   3.307
  127   1HG1  ILE  18          2HG1      ILE  18  -2.406   6.939   1.505
  128   2HG1  ILE  18          1HG1      ILE  18  -3.050   6.047   2.880
  129   1HG2  ILE  18          1HG2      ILE  18  -2.297   9.541   1.809
  130   2HG2  ILE  18          2HG2      ILE  18  -3.826  10.188   2.405
  131   3HG2  ILE  18          3HG2      ILE  18  -3.811   9.090   1.025
  132   1HD1  ILE  18          1HD1      ILE  18  -5.352   6.751   1.792
  133   2HD1  ILE  18          2HD1      ILE  18  -4.463   5.322   1.264
  134   3HD1  ILE  18          3HD1      ILE  18  -4.355   6.819   0.339
  135    H    ASN  19           H        ASN  19  -0.113   9.078   4.315
  136    HA   ASN  19           HA       ASN  19  -0.878  11.842   4.902
  137   1HB   ASN  19          2HB       ASN  19   0.744  10.591   6.387
  138   2HB   ASN  19          1HB       ASN  19   1.885  10.627   5.045
  139   1HD2  ASN  19          1HD2      ASN  19   3.215  11.771   6.619
  140   2HD2  ASN  19          2HD2      ASN  19   3.020  13.478   6.790
  141    H    GLU  20           H        GLU  20  -1.103  13.076   3.157
  142    HA   GLU  20           HA       GLU  20   0.511  12.565   0.790
  143   1HB   GLU  20          2HB       GLU  20  -1.743  14.526   1.270
  144   2HB   GLU  20          1HB       GLU  20  -0.933  14.282  -0.273
  145   1HG   GLU  20          2HG       GLU  20  -1.684  11.934  -0.260
  146   2HG   GLU  20          1HG       GLU  20  -2.561  12.250   1.237
  147    H    ASP  21           H        ASP  21   0.557  14.601   3.523
  148    HA   ASP  21           HA       ASP  21   1.641  16.962   2.577
  149   1HB   ASP  21          2HB       ASP  21   0.987  16.484   4.950
  150   2HB   ASP  21          1HB       ASP  21   2.475  15.560   5.122
  151    H    VAL  22           H        VAL  22   3.036  13.821   2.730
  152    HA   VAL  22           HA       VAL  22   5.748  14.716   2.447
  153    HB   VAL  22           HB       VAL  22   4.948  11.934   1.870
  154   1HG1  VAL  22          1HG1      VAL  22   7.338  13.386   2.775
  155   2HG1  VAL  22          2HG1      VAL  22   7.196  11.968   1.735
  156   3HG1  VAL  22          3HG1      VAL  22   7.087  11.791   3.487
  157   1HG2  VAL  22          1HG2      VAL  22   5.323  11.718   4.508
  158   2HG2  VAL  22          2HG2      VAL  22   3.730  11.918   3.778
  159   3HG2  VAL  22          3HG2      VAL  22   4.574  13.313   4.451
  160    H    SER  23           H        SER  23   7.077  14.275   0.607
  161    HA   SER  23           HA       SER  23   5.647  13.725  -1.887
  162   1HB   SER  23          2HB       SER  23   7.313  15.656  -2.769
  163   2HB   SER  23          1HB       SER  23   5.652  15.968  -2.265
  164    HG   SER  23           HG       SER  23   6.368  17.021  -0.588
  165    HA   PRO  24           HA       PRO  24   5.679  12.299  -3.307
  166   1HB   PRO  24          2HB       PRO  24   6.445   9.488  -2.920
  167   2HB   PRO  24          1HB       PRO  24   5.966  10.326  -4.398
  168   1HG   PRO  24          2HG       PRO  24   8.500   9.531  -3.976
  169   2HG   PRO  24          1HG       PRO  24   8.117  11.019  -4.862
  170   1HD   PRO  24          2HD       PRO  24   9.004  10.680  -2.019
  171   2HD   PRO  24          1HD       PRO  24   9.510  11.888  -3.222
  172    H    ALA  25           H        ALA  25   3.764  11.591  -2.387
  173    HA   ALA  25           HA       ALA  25   3.482  11.692   0.373
  174   1HB   ALA  25          1HB       ALA  25   1.609  12.086  -1.093
  175   2HB   ALA  25          2HB       ALA  25   1.217  10.758  -0.000
  176   3HB   ALA  25          3HB       ALA  25   1.663  10.420  -1.672
  177    H    GLU  26           H        GLU  26   2.394   9.844   1.679
  178    HA   GLU  26           HA       GLU  26   3.457   7.210   1.049
  179   1HB   GLU  26          2HB       GLU  26   4.246   8.688   3.563
  180   2HB   GLU  26          1HB       GLU  26   4.584   6.994   3.237
  181   1HG   GLU  26          2HG       GLU  26   5.933   7.655   1.295
  182   2HG   GLU  26          1HG       GLU  26   5.626   9.347   1.679
  183    H    LEU  27           H        LEU  27   2.715   5.540   2.537
  184    HA   LEU  27           HA       LEU  27   0.150   6.233   3.809
  185   1HB   LEU  27          2HB       LEU  27  -0.350   4.896   1.928
  186   2HB   LEU  27          1HB       LEU  27   1.000   3.820   2.231
  187    HG   LEU  27           HG       LEU  27  -0.144   2.901   4.186
  188   1HD1  LEU  27          1HD1      LEU  27  -2.769   3.955   3.717
  189   2HD1  LEU  27          2HD1      LEU  27  -1.638   5.266   4.048
  190   3HD1  LEU  27          3HD1      LEU  27  -1.813   3.942   5.200
  191   1HD2  LEU  27          1HD2      LEU  27  -0.592   1.618   2.321
  192   2HD2  LEU  27          2HD2      LEU  27  -1.510   2.899   1.529
  193   3HD2  LEU  27          3HD2      LEU  27  -2.215   2.019   2.885
  194    H    THR  28           H        THR  28   0.301   6.126   5.979
  195    HA   THR  28           HA       THR  28   2.340   4.511   7.211
  196    HB   THR  28           HB       THR  28   0.514   5.998   8.919
  197    HG1  THR  28           HG1      THR  28   1.955   7.404   6.933
  198   1HG2  THR  28          1HG2      THR  28   3.441   6.319   8.401
  199   2HG2  THR  28          2HG2      THR  28   2.736   5.262   9.623
  200   3HG2  THR  28          3HG2      THR  28   2.534   7.010   9.745
  201    H    TRP  29           H        TRP  29   1.952   2.933   8.744
  202    HA   TRP  29           HA       TRP  29  -0.799   2.017   9.121
  203   1HB   TRP  29          2HB       TRP  29   0.203   0.599   7.386
  204   2HB   TRP  29          1HB       TRP  29   1.565   0.249   8.449
  205    HD1  TRP  29           HD1      TRP  29  -2.258   0.073   9.016
  206    HE1  TRP  29           HE1      TRP  29  -2.820  -2.245  10.011
  207    HE3  TRP  29           HE3      TRP  29   2.441  -1.928   9.110
  208    HZ2  TRP  29           HZ2      TRP  29  -1.445  -4.575  10.735
  209    HZ3  TRP  29           HZ3      TRP  29   2.730  -4.217   9.978
  210    HH2  TRP  29           HH2      TRP  29   0.814  -5.517  10.771
  211    H    ARG  30           H        ARG  30  -1.124   2.264  11.244
  212    HA   ARG  30           HA       ARG  30   1.091   1.636  13.074
  213   1HB   ARG  30          2HB       ARG  30   0.060   3.876  13.302
  214   2HB   ARG  30          1HB       ARG  30  -1.492   3.117  13.628
  215   1HG   ARG  30          2HG       ARG  30  -0.512   2.062  15.636
  216   2HG   ARG  30          1HG       ARG  30   0.985   2.944  15.328
  217   1HD   ARG  30          2HD       ARG  30  -0.271   5.064  15.481
  218   2HD   ARG  30          1HD       ARG  30  -1.725   4.147  15.876
  219    HE   ARG  30           HE       ARG  30  -0.929   3.849  18.008
  220   1HH1  ARG  30          1HH1      ARG  30   1.649   5.043  15.980
  221   2HH1  ARG  30          2HH1      ARG  30   2.726   5.331  17.304
  222   1HH2  ARG  30          1HH2      ARG  30   0.486   4.226  19.749
  223   2HH2  ARG  30          2HH2      ARG  30   2.067   4.865  19.444
  224    H    SER  31           H        SER  31   1.015  -0.196  14.260
  225    HA   SER  31           HA       SER  31  -0.974  -2.118  13.864
  226   1HB   SER  31          2HB       SER  31   0.121  -3.371  15.669
  227   2HB   SER  31          1HB       SER  31   1.315  -2.679  14.572
  228    HG   SER  31           HG       SER  31   1.863  -2.354  16.775
  229    H    THR  32           H        THR  32  -2.349  -3.099  15.529
  230    HA   THR  32           HA       THR  32  -4.146  -1.269  16.624
  231    HB   THR  32           HB       THR  32  -3.663  -4.185  16.697
  232    HG1  THR  32           HG1      THR  32  -5.155  -3.853  15.262
  233   1HG2  THR  32          1HG2      THR  32  -4.105  -3.917  19.002
  234   2HG2  THR  32          2HG2      THR  32  -5.557  -4.555  18.229
  235   3HG2  THR  32          3HG2      THR  32  -5.471  -2.851  18.676
  236    H    ASP  33           H        ASP  33  -1.353  -2.881  17.872
  237    HA   ASP  33           HA       ASP  33  -1.794  -2.319  20.617
  238   1HB   ASP  33          2HB       ASP  33  -0.278  -4.118  19.756
  239   2HB   ASP  33          1HB       ASP  33   0.850  -2.860  19.262
  240    H    GLY  34           H        GLY  34  -0.248  -0.626  18.009
  241   1HA   GLY  34          2HA       GLY  34   0.185   1.654  17.862
  242   2HA   GLY  34          1HA       GLY  34  -0.225   1.815  19.565
  243    H    ASP  35           H        ASP  35   2.035  -0.593  18.538
  244    HA   ASP  35           HA       ASP  35   4.204   0.995  19.724
  245   1HB   ASP  35          2HB       ASP  35   3.573  -1.025  21.018
  246   2HB   ASP  35          1HB       ASP  35   3.964  -2.017  19.618
  247    H    LYS  36           H        LYS  36   3.121  -0.629  16.914
  248    HA   LYS  36           HA       LYS  36   5.763  -0.225  15.678
  249   1HB   LYS  36          2HB       LYS  36   4.123  -2.629  15.801
  250   2HB   LYS  36          1HB       LYS  36   4.517  -2.180  14.147
  251   1HG   LYS  36          2HG       LYS  36   6.875  -2.208  14.661
  252   2HG   LYS  36          1HG       LYS  36   6.528  -2.539  16.359
  253   1HD   LYS  36          2HD       LYS  36   7.122  -4.611  15.350
  254   2HD   LYS  36          1HD       LYS  36   5.377  -4.643  15.609
  255   1HE   LYS  36          2HE       LYS  36   5.782  -5.511  13.431
  256   2HE   LYS  36          1HE       LYS  36   5.104  -3.897  13.232
  257   1HZ   LYS  36          1HZ       LYS  36   7.047  -4.414  11.781
  258   2HZ   LYS  36          2HZ       LYS  36   8.015  -4.458  13.168
  259   3HZ   LYS  36          3HZ       LYS  36   7.233  -3.024  12.728
  260    H    VAL  37           H        VAL  37   5.770   1.081  13.978
  261    HA   VAL  37           HA       VAL  37   3.227   1.565  12.567
  262    HB   VAL  37           HB       VAL  37   5.341   3.660  13.073
  263   1HG1  VAL  37          1HG1      VAL  37   3.906   3.897  11.042
  264   2HG1  VAL  37          2HG1      VAL  37   3.754   5.219  12.200
  265   3HG1  VAL  37          3HG1      VAL  37   2.505   3.978  12.109
  266   1HG2  VAL  37          1HG2      VAL  37   3.002   2.812  14.677
  267   2HG2  VAL  37          2HG2      VAL  37   3.260   4.547  14.492
  268   3HG2  VAL  37          3HG2      VAL  37   4.527   3.537  15.187
  269    H    HIS  38           H        HIS  38   3.322   1.081  10.486
  270    HA   HIS  38           HA       HIS  38   5.965   1.007   9.183
  271   1HB   HIS  38          2HB       HIS  38   4.829  -1.153   9.225
  272   2HB   HIS  38          1HB       HIS  38   3.435  -0.443   8.424
  273    HD1  HIS  38           HD1      HIS  38   6.253  -2.429   7.671
  274    HD2  HIS  38           HD2      HIS  38   4.379   0.761   5.779
  275    HE1  HIS  38           HE1      HIS  38   6.980  -2.551   5.267
  276    HE2  HIS  38           HE2      HIS  38   5.904  -0.560   4.161
  277    H    THR  39           H        THR  39   6.305   1.984   7.273
  278    HA   THR  39           HA       THR  39   4.159   3.757   6.290
  279    HB   THR  39           HB       THR  39   7.129   4.306   6.129
  280    HG1  THR  39           HG1      THR  39   6.657   4.454   8.259
  281   1HG2  THR  39          1HG2      THR  39   6.468   6.600   5.699
  282   2HG2  THR  39          2HG2      THR  39   4.768   6.133   5.757
  283   3HG2  THR  39          3HG2      THR  39   5.810   5.513   4.475
  284    H    VAL  40           H        VAL  40   3.663   3.669   4.180
  285    HA   VAL  40           HA       VAL  40   5.357   1.984   2.450
  286    HB   VAL  40           HB       VAL  40   2.384   2.390   2.140
  287   1HG1  VAL  40          1HG1      VAL  40   4.475   0.918   0.667
  288   2HG1  VAL  40          2HG1      VAL  40   2.972   1.642   0.092
  289   3HG1  VAL  40          3HG1      VAL  40   2.944   0.075   0.902
  290   1HG2  VAL  40          1HG2      VAL  40   1.965   0.372   3.243
  291   2HG2  VAL  40          2HG2      VAL  40   3.133   1.195   4.277
  292   3HG2  VAL  40          3HG2      VAL  40   3.663  -0.104   3.210
  293    H    VAL  41           H        VAL  41   5.779   2.658   0.371
  294    HA   VAL  41           HA       VAL  41   5.356   5.500  -0.125
  295    HB   VAL  41           HB       VAL  41   6.923   3.558  -1.826
  296   1HG1  VAL  41          1HG1      VAL  41   6.409   6.441  -1.877
  297   2HG1  VAL  41          2HG1      VAL  41   6.919   5.354  -3.169
  298   3HG1  VAL  41          3HG1      VAL  41   8.109   6.001  -2.039
  299   1HG2  VAL  41          1HG2      VAL  41   8.923   4.467  -0.626
  300   2HG2  VAL  41          2HG2      VAL  41   7.882   3.439   0.359
  301   3HG2  VAL  41          3HG2      VAL  41   7.819   5.192   0.542
  302    H    LEU  42           H        LEU  42   3.804   6.234  -1.406
  303    HA   LEU  42           HA       LEU  42   2.204   4.359  -2.936
  304   1HB   LEU  42          2HB       LEU  42   1.787   7.330  -2.695
  305   2HB   LEU  42          1HB       LEU  42   0.606   6.110  -3.135
  306    HG   LEU  42           HG       LEU  42   1.829   6.539  -0.410
  307   1HD1  LEU  42          1HD1      LEU  42  -1.087   6.544  -0.876
  308   2HD1  LEU  42          2HD1      LEU  42  -0.184   7.920  -1.506
  309   3HD1  LEU  42          3HD1      LEU  42  -0.106   7.526   0.211
  310   1HD2  LEU  42          1HD2      LEU  42   0.487   4.212  -1.593
  311   2HD2  LEU  42          2HD2      LEU  42  -0.181   4.746  -0.051
  312   3HD2  LEU  42          3HD2      LEU  42   1.528   4.326  -0.172
  313    H    SER  43           H        SER  43   4.850   6.371  -3.542
  314    HA   SER  43           HA       SER  43   4.163   7.070  -6.247
  315   1HB   SER  43          2HB       SER  43   5.728   8.370  -4.681
  316   2HB   SER  43          1HB       SER  43   6.934   7.141  -5.061
  317    HG   SER  43           HG       SER  43   6.867   9.120  -6.416
  318    H    THR  44           H        THR  44   5.866   4.503  -4.616
  319    HA   THR  44           HA       THR  44   7.071   3.470  -7.006
  320    HB   THR  44           HB       THR  44   8.127   3.158  -4.805
  321    HG1  THR  44           HG1      THR  44   7.318   0.776  -6.107
  322   1HG2  THR  44          1HG2      THR  44   7.295   1.595  -3.197
  323   2HG2  THR  44          2HG2      THR  44   5.892   1.241  -4.204
  324   3HG2  THR  44          3HG2      THR  44   6.073   2.836  -3.474
  325    H    ILE  45           H        ILE  45   4.073   3.098  -5.364
  326    HA   ILE  45           HA       ILE  45   3.293   0.550  -6.228
  327    HB   ILE  45           HB       ILE  45   1.458   2.916  -5.850
  328   1HG1  ILE  45          2HG1      ILE  45   2.852   2.739  -3.882
  329   2HG1  ILE  45          1HG1      ILE  45   1.258   2.103  -3.498
  330   1HG2  ILE  45          1HG2      ILE  45  -0.201   1.231  -5.268
  331   2HG2  ILE  45          2HG2      ILE  45   0.982  -0.045  -5.549
  332   3HG2  ILE  45          3HG2      ILE  45   0.432   0.958  -6.891
  333   1HD1  ILE  45          1HD1      ILE  45   2.616   0.535  -2.538
  334   2HD1  ILE  45          2HD1      ILE  45   3.848   0.675  -3.792
  335   3HD1  ILE  45          3HD1      ILE  45   2.345  -0.184  -4.125
  336    H    ASP  46           H        ASP  46   3.816   0.159  -8.347
  337    HA   ASP  46           HA       ASP  46   3.322   1.850 -10.516
  338   1HB   ASP  46          2HB       ASP  46   4.803  -0.172 -10.536
  339   2HB   ASP  46          1HB       ASP  46   3.354  -1.174 -10.574
  340    H    LYS  47           H        LYS  47   1.243  -0.390  -8.811
  341    HA   LYS  47           HA       LYS  47  -1.078   0.734 -10.088
  342   1HB   LYS  47          2HB       LYS  47  -0.295  -2.132 -10.616
  343   2HB   LYS  47          1HB       LYS  47  -1.934  -1.535 -10.828
  344   1HG   LYS  47          2HG       LYS  47  -0.986   0.167 -12.422
  345   2HG   LYS  47          1HG       LYS  47   0.535  -0.723 -12.334
  346   1HD   LYS  47          2HD       LYS  47  -2.113  -1.906 -13.165
  347   2HD   LYS  47          1HD       LYS  47  -0.855  -1.365 -14.279
  348   1HE   LYS  47          2HE       LYS  47   0.640  -2.978 -12.822
  349   2HE   LYS  47          1HE       LYS  47  -0.915  -3.732 -12.473
  350   1HZ   LYS  47          1HZ       LYS  47  -1.157  -4.436 -14.603
  351   2HZ   LYS  47          2HZ       LYS  47   0.532  -4.439 -14.534
  352   3HZ   LYS  47          3HZ       LYS  47  -0.281  -3.150 -15.267
  353    H    LEU  48           H        LEU  48  -3.111  -0.287  -9.239
  354    HA   LEU  48           HA       LEU  48  -2.688  -1.238  -6.482
  355   1HB   LEU  48          2HB       LEU  48  -4.519   0.800  -7.629
  356   2HB   LEU  48          1HB       LEU  48  -5.153  -0.198  -6.335
  357    HG   LEU  48           HG       LEU  48  -3.248   0.513  -4.905
  358   1HD1  LEU  48          1HD1      LEU  48  -1.893   2.412  -5.586
  359   2HD1  LEU  48          2HD1      LEU  48  -2.678   2.422  -7.165
  360   3HD1  LEU  48          3HD1      LEU  48  -1.671   1.056  -6.691
  361   1HD2  LEU  48          1HD2      LEU  48  -5.431   2.184  -5.874
  362   2HD2  LEU  48          2HD2      LEU  48  -4.104   3.108  -5.169
  363   3HD2  LEU  48          3HD2      LEU  48  -4.904   1.850  -4.225
  364    H    GLN  49           H        GLN  49  -3.729  -3.047  -5.843
  365    HA   GLN  49           HA       GLN  49  -5.740  -4.193  -7.661
  366   1HB   GLN  49          2HB       GLN  49  -3.509  -5.312  -7.878
  367   2HB   GLN  49          1HB       GLN  49  -3.633  -5.781  -6.188
  368   1HG   GLN  49          2HG       GLN  49  -5.732  -6.993  -6.747
  369   2HG   GLN  49          1HG       GLN  49  -5.428  -6.632  -8.445
  370   1HE2  GLN  49          1HE2      GLN  49  -4.230  -8.008  -9.567
  371   2HE2  GLN  49          2HE2      GLN  49  -3.261  -9.275  -8.901
  372    H    ALA  50           H        ALA  50  -7.446  -5.280  -6.717
  373    HA   ALA  50           HA       ALA  50  -7.497  -5.502  -3.800
  374   1HB   ALA  50          1HB       ALA  50  -9.533  -4.323  -3.544
  375   2HB   ALA  50          2HB       ALA  50  -9.772  -4.214  -5.287
  376   3HB   ALA  50          3HB       ALA  50  -8.482  -3.292  -4.515
  377    H    THR  51           H        THR  51  -9.173  -6.902  -2.996
  378    HA   THR  51           HA       THR  51  -9.577  -9.179  -4.669
  379    HB   THR  51           HB       THR  51 -11.024  -9.902  -2.635
  380    HG1  THR  51           HG1      THR  51 -11.354  -8.300  -1.328
  381   1HG2  THR  51          1HG2      THR  51  -8.987 -10.238  -1.199
  382   2HG2  THR  51          2HG2      THR  51  -8.079  -9.369  -2.437
  383   3HG2  THR  51          3HG2      THR  51  -8.893 -10.882  -2.838
  384    HA   PRO  52           HA       PRO  52 -13.514  -8.283  -6.437
  385   1HB   PRO  52          2HB       PRO  52 -14.659 -10.750  -6.500
  386   2HB   PRO  52          1HB       PRO  52 -13.359 -10.260  -7.594
  387   1HG   PRO  52          2HG       PRO  52 -13.209 -11.875  -5.078
  388   2HG   PRO  52          1HG       PRO  52 -12.390 -12.140  -6.629
  389   1HD   PRO  52          2HD       PRO  52 -11.143 -11.018  -4.512
  390   2HD   PRO  52          1HD       PRO  52 -10.766 -10.562  -6.186
  391    H    ALA  53           H        ALA  53 -15.761  -8.120  -6.000
  392    HA   ALA  53           HA       ALA  53 -16.393  -7.798  -3.250
  393   1HB   ALA  53          1HB       ALA  53 -18.266  -6.728  -3.957
  394   2HB   ALA  53          2HB       ALA  53 -18.579  -7.889  -5.247
  395   3HB   ALA  53          3HB       ALA  53 -17.337  -6.655  -5.456
  396    H    SER  54           H        SER  54 -16.425 -10.529  -5.242
  397    HA   SER  54           HA       SER  54 -18.613 -11.844  -3.853
  398   1HB   SER  54          2HB       SER  54 -16.754 -12.768  -6.051
  399   2HB   SER  54          1HB       SER  54 -18.021 -13.774  -5.350
  400    HG   SER  54           HG       SER  54 -19.052 -12.863  -6.997
  401    H    SER  55           H        SER  55 -15.497 -11.210  -3.079
  402    HA   SER  55           HA       SER  55 -15.065 -13.795  -1.753
  403   1HB   SER  55          2HB       SER  55 -13.141 -11.575  -2.469
  404   2HB   SER  55          1HB       SER  55 -12.706 -12.954  -1.462
  405    HG   SER  55           HG       SER  55 -12.274 -13.854  -3.314
  406    H    GLU  56           H        GLU  56 -15.729 -13.849   0.273
  407    HA   GLU  56           HA       GLU  56 -16.421 -11.638   1.826
  408   1HB   GLU  56          2HB       GLU  56 -15.628 -14.416   2.715
  409   2HB   GLU  56          1HB       GLU  56 -16.416 -13.222   3.738
  410   1HG   GLU  56          2HG       GLU  56 -18.345 -13.221   2.214
  411   2HG   GLU  56          1HG       GLU  56 -17.560 -14.471   1.249
  412    H    LYS  57           H        LYS  57 -13.353 -12.962   1.115
  413    HA   LYS  57           HA       LYS  57 -12.066 -11.804   3.455
  414   1HB   LYS  57          2HB       LYS  57  -9.972 -12.693   2.376
  415   2HB   LYS  57          1HB       LYS  57 -11.177 -13.908   2.781
  416   1HG   LYS  57          2HG       LYS  57 -11.457 -12.852   0.077
  417   2HG   LYS  57          1HG       LYS  57  -9.912 -13.653   0.372
  418   1HD   LYS  57          2HD       LYS  57 -11.168 -15.608   1.267
  419   2HD   LYS  57          1HD       LYS  57 -12.666 -14.810   0.791
  420   1HE   LYS  57          2HE       LYS  57 -11.986 -14.832  -1.529
  421   2HE   LYS  57          1HE       LYS  57 -10.419 -15.513  -1.091
  422   1HZ   LYS  57          1HZ       LYS  57 -12.471 -16.986  -1.886
  423   2HZ   LYS  57          2HZ       LYS  57 -12.758 -17.003  -0.219
  424   3HZ   LYS  57          3HZ       LYS  57 -11.282 -17.562  -0.828
  425    H    MET  58           H        MET  58 -12.072  -9.622   3.342
  426    HA   MET  58           HA       MET  58 -11.577  -8.212   0.886
  427   1HB   MET  58          2HB       MET  58 -11.763  -7.217   3.735
  428   2HB   MET  58          1HB       MET  58 -11.684  -6.190   2.312
  429   1HG   MET  58          2HG       MET  58 -13.831  -6.600   1.717
  430   2HG   MET  58          1HG       MET  58 -13.821  -8.231   2.387
  431   1HE   MET  58          1HE       MET  58 -12.866  -7.414   5.684
  432   2HE   MET  58          2HE       MET  58 -13.629  -8.731   4.793
  433   3HE   MET  58          3HE       MET  58 -14.532  -7.872   6.040
  434    H    MET  59           H        MET  59  -9.643  -7.813   0.054
  435    HA   MET  59           HA       MET  59  -7.405  -7.158   1.783
  436   1HB   MET  59          2HB       MET  59  -7.235  -9.449  -0.183
  437   2HB   MET  59          1HB       MET  59  -5.910  -8.819   0.787
  438   1HG   MET  59          2HG       MET  59  -7.202  -9.457   2.823
  439   2HG   MET  59          1HG       MET  59  -8.371 -10.242   1.765
  440   1HE   MET  59          1HE       MET  59  -4.010 -11.573   2.429
  441   2HE   MET  59          2HE       MET  59  -4.877 -10.438   3.465
  442   3HE   MET  59          3HE       MET  59  -4.445  -9.976   1.819
  443    H    LEU  60           H        LEU  60  -6.023  -5.732   0.858
  444    HA   LEU  60           HA       LEU  60  -6.471  -5.101  -1.987
  445   1HB   LEU  60          2HB       LEU  60  -7.188  -3.344  -0.377
  446   2HB   LEU  60          1HB       LEU  60  -5.536  -3.238   0.197
  447    HG   LEU  60           HG       LEU  60  -4.925  -2.672  -2.239
  448   1HD1  LEU  60          1HD1      LEU  60  -7.489  -3.296  -2.768
  449   2HD1  LEU  60          2HD1      LEU  60  -6.522  -2.197  -3.753
  450   3HD1  LEU  60          3HD1      LEU  60  -7.632  -1.553  -2.543
  451   1HD2  LEU  60          1HD2      LEU  60  -6.476  -0.821  -0.442
  452   2HD2  LEU  60          2HD2      LEU  60  -5.605  -0.280  -1.878
  453   3HD2  LEU  60          3HD2      LEU  60  -4.727  -1.023  -0.540
  454    H    ARG  61           H        ARG  61  -4.830  -5.660  -3.245
  455    HA   ARG  61           HA       ARG  61  -2.140  -5.839  -2.078
  456   1HB   ARG  61          2HB       ARG  61  -3.117  -7.871  -3.161
  457   2HB   ARG  61          1HB       ARG  61  -3.129  -6.998  -4.688
  458   1HG   ARG  61          2HG       ARG  61  -0.667  -6.735  -4.491
  459   2HG   ARG  61          1HG       ARG  61  -0.718  -7.758  -3.054
  460   1HD   ARG  61          2HD       ARG  61  -1.789  -9.531  -4.457
  461   2HD   ARG  61          1HD       ARG  61  -1.496  -8.513  -5.867
  462    HE   ARG  61           HE       ARG  61   0.951  -8.735  -4.716
  463   1HH1  ARG  61          1HH1      ARG  61  -1.444 -11.049  -5.757
  464   2HH1  ARG  61          2HH1      ARG  61  -0.279 -12.274  -6.136
  465   1HH2  ARG  61          1HH2      ARG  61   2.487 -10.343  -5.213
  466   2HH2  ARG  61          2HH2      ARG  61   1.953 -11.873  -5.826
  467    H    LEU  62           H        LEU  62  -0.543  -4.540  -2.717
  468    HA   LEU  62           HA       LEU  62  -1.053  -2.762  -5.014
  469   1HB   LEU  62          2HB       LEU  62  -0.220  -2.214  -2.286
  470   2HB   LEU  62          1HB       LEU  62   0.911  -1.556  -3.453
  471    HG   LEU  62           HG       LEU  62  -1.036  -0.434  -4.581
  472   1HD1  LEU  62          1HD1      LEU  62  -2.432  -1.691  -2.270
  473   2HD1  LEU  62          2HD1      LEU  62  -2.962  -1.497  -3.940
  474   3HD1  LEU  62          3HD1      LEU  62  -2.975  -0.115  -2.847
  475   1HD2  LEU  62          1HD2      LEU  62  -1.057   0.610  -1.825
  476   2HD2  LEU  62          2HD2      LEU  62  -0.684   1.421  -3.345
  477   3HD2  LEU  62          3HD2      LEU  62   0.533   0.413  -2.560
  478    H    ILE  63           H        ILE  63   0.344  -2.802  -6.635
  479    HA   ILE  63           HA       ILE  63   2.795  -4.388  -6.300
  480    HB   ILE  63           HB       ILE  63   1.504  -3.584  -8.902
  481   1HG1  ILE  63          2HG1      ILE  63   0.935  -6.180  -8.777
  482   2HG1  ILE  63          1HG1      ILE  63   0.966  -5.856  -7.045
  483   1HG2  ILE  63          1HG2      ILE  63   2.909  -5.925  -9.265
  484   2HG2  ILE  63          2HG2      ILE  63   3.929  -5.008  -8.156
  485   3HG2  ILE  63          3HG2      ILE  63   3.457  -4.307  -9.704
  486   1HD1  ILE  63          1HD1      ILE  63  -1.276  -5.706  -8.194
  487   2HD1  ILE  63          2HD1      ILE  63  -0.678  -4.229  -8.951
  488   3HD1  ILE  63          3HD1      ILE  63  -0.808  -4.330  -7.195
  489    H    GLY  64           H        GLY  64   4.737  -3.475  -6.456
  490   1HA   GLY  64          2HA       GLY  64   4.903  -0.612  -6.882
  491   2HA   GLY  64          1HA       GLY  64   6.210  -1.670  -6.371
  492    H    LYS  65           H        LYS  65   6.846   0.201  -8.165
  493    HA   LYS  65           HA       LYS  65   6.733  -1.053 -10.811
  494   1HB   LYS  65          2HB       LYS  65   7.526   1.079 -11.677
  495   2HB   LYS  65          1HB       LYS  65   6.117   1.325 -10.655
  496   1HG   LYS  65          2HG       LYS  65   7.648   1.947  -8.799
  497   2HG   LYS  65          1HG       LYS  65   8.992   1.848  -9.940
  498   1HD   LYS  65          2HD       LYS  65   6.599   3.672 -10.183
  499   2HD   LYS  65          1HD       LYS  65   8.214   4.154  -9.660
  500   1HE   LYS  65          2HE       LYS  65   8.950   3.114 -11.937
  501   2HE   LYS  65          1HE       LYS  65   7.260   3.344 -12.373
  502   1HZ   LYS  65          1HZ       LYS  65   7.524   5.707 -11.731
  503   2HZ   LYS  65          2HZ       LYS  65   8.485   5.256 -13.049
  504   3HZ   LYS  65          3HZ       LYS  65   9.182   5.437 -11.518
  505    H    VAL  66           H        VAL  66   8.922  -0.406 -12.079
  506    HA   VAL  66           HA       VAL  66  11.029  -1.778 -10.582
  507    HB   VAL  66           HB       VAL  66  10.388  -2.700 -12.778
  508   1HG1  VAL  66          1HG1      VAL  66   9.785  -0.597 -13.878
  509   2HG1  VAL  66          2HG1      VAL  66  10.951  -1.517 -14.829
  510   3HG1  VAL  66          3HG1      VAL  66  11.481  -0.120 -13.893
  511   1HG2  VAL  66          1HG2      VAL  66  12.698  -2.811 -13.726
  512   2HG2  VAL  66          2HG2      VAL  66  12.601  -3.166 -12.002
  513   3HG2  VAL  66          3HG2      VAL  66  13.180  -1.593 -12.546
  514    H    ASP  67           H        ASP  67  12.852  -0.798  -9.954
  515    HA   ASP  67           HA       ASP  67  13.565   1.786 -11.147
  516   1HB   ASP  67          2HB       ASP  67  13.365   1.200  -8.187
  517   2HB   ASP  67          1HB       ASP  67  14.140   2.631  -8.859
  518    H    GLU  68           H        GLU  68  15.677   1.989 -11.592
  519    HA   GLU  68           HA       GLU  68  17.482  -0.096 -10.575
  520   1HB   GLU  68          2HB       GLU  68  18.808   0.205 -12.571
  521   2HB   GLU  68          1HB       GLU  68  17.132  -0.056 -13.033
  522   1HG   GLU  68          2HG       GLU  68  16.873   2.389 -13.307
  523   2HG   GLU  68          1HG       GLU  68  18.594   2.573 -12.968
  524    H    SER  69           H        SER  69  16.869   2.213  -9.058
  525    HA   SER  69           HA       SER  69  19.134   4.006  -9.323
  526   1HB   SER  69          2HB       SER  69  16.866   3.947  -7.321
  527   2HB   SER  69          1HB       SER  69  18.109   5.197  -7.397
  528    HG   SER  69           HG       SER  69  16.476   4.546  -9.613
  529    H    LYS  70           H        LYS  70  18.240   1.217  -7.526
  530    HA   LYS  70           HA       LYS  70  19.814   1.522  -5.233
  531   1HB   LYS  70          2HB       LYS  70  19.137  -1.035  -6.697
  532   2HB   LYS  70          1HB       LYS  70  19.695  -0.918  -5.033
  533   1HG   LYS  70          2HG       LYS  70  17.123   0.242  -6.088
  534   2HG   LYS  70          1HG       LYS  70  17.275  -1.271  -5.193
  535   1HD   LYS  70          2HD       LYS  70  18.269   0.027  -3.309
  536   2HD   LYS  70          1HD       LYS  70  17.908   1.507  -4.201
  537   1HE   LYS  70          2HE       LYS  70  16.048   1.364  -2.872
  538   2HE   LYS  70          1HE       LYS  70  15.492   0.475  -4.290
  539   1HZ   LYS  70          1HZ       LYS  70  15.519  -1.484  -3.188
  540   2HZ   LYS  70          2HZ       LYS  70  15.285  -0.480  -1.845
  541   3HZ   LYS  70          3HZ       LYS  70  16.831  -1.064  -2.207
  542    H    LYS  71           H        LYS  71  20.621   0.459  -8.478
  543    HA   LYS  71           HA       LYS  71  22.603   0.048  -9.514
  544   1HB   LYS  71          2HB       LYS  71  22.992   2.338  -8.247
  545   2HB   LYS  71          1HB       LYS  71  24.122   1.369  -7.310
  546   1HG   LYS  71          2HG       LYS  71  25.273   2.485  -9.113
  547   2HG   LYS  71          1HG       LYS  71  25.282   0.740  -9.378
  548   1HD   LYS  71          2HD       LYS  71  23.775   0.867 -11.128
  549   2HD   LYS  71          1HD       LYS  71  23.122   2.415 -10.589
  550   1HE   LYS  71          2HE       LYS  71  25.840   1.950 -11.809
  551   2HE   LYS  71          1HE       LYS  71  24.455   2.691 -12.607
  552   1HZ   LYS  71          1HZ       LYS  71  25.451   4.569 -11.914
  553   2HZ   LYS  71          2HZ       LYS  71  26.285   3.813 -10.652
  554   3HZ   LYS  71          3HZ       LYS  71  24.660   4.236 -10.456
  555    H    ARG  72           H        ARG  72  22.962  -2.093  -9.445
  556    HA   ARG  72           HA       ARG  72  23.464  -3.619  -7.152
  557   1HB   ARG  72          2HB       ARG  72  24.338  -5.333  -8.770
  558   2HB   ARG  72          1HB       ARG  72  22.730  -4.724  -9.137
  559   1HG   ARG  72          2HG       ARG  72  23.591  -3.325 -10.881
  560   2HG   ARG  72          1HG       ARG  72  25.252  -3.725 -10.440
  561   1HD   ARG  72          2HD       ARG  72  23.464  -5.994 -11.062
  562   2HD   ARG  72          1HD       ARG  72  23.914  -4.954 -12.413
  563    HE   ARG  72           HE       ARG  72  25.565  -6.859 -11.122
  564   1HH1  ARG  72          1HH1      ARG  72  25.652  -3.704 -12.609
  565   2HH1  ARG  72          2HH1      ARG  72  27.319  -3.825 -13.062
  566   1HH2  ARG  72          1HH2      ARG  72  27.758  -7.020 -11.716
  567   2HH2  ARG  72          2HH2      ARG  72  28.515  -5.708 -12.556
  568    H    LYS  73           H        LYS  73  25.241  -4.034  -5.988
  569    HA   LYS  73           HA       LYS  73  27.733  -2.728  -6.804
  570   1HB   LYS  73          2HB       LYS  73  26.414  -2.700  -4.406
  571   2HB   LYS  73          1HB       LYS  73  27.617  -3.951  -4.133
  572   1HG   LYS  73          2HG       LYS  73  29.342  -2.299  -4.944
  573   2HG   LYS  73          1HG       LYS  73  28.074  -1.075  -4.862
  574   1HD   LYS  73          2HD       LYS  73  28.909  -2.813  -2.544
  575   2HD   LYS  73          1HD       LYS  73  29.522  -1.183  -2.834
  576   1HE   LYS  73          2HE       LYS  73  27.436  -0.203  -2.441
  577   2HE   LYS  73          1HE       LYS  73  26.579  -1.731  -2.649
  578   1HZ   LYS  73          1HZ       LYS  73  26.996  -0.759  -0.285
  579   2HZ   LYS  73          2HZ       LYS  73  28.517  -1.478  -0.460
  580   3HZ   LYS  73          3HZ       LYS  73  27.119  -2.426  -0.553
  581    H    ASP  74           H        ASP  74  29.766  -3.919  -6.028
  582    HA   ASP  74           HA       ASP  74  29.756  -6.516  -7.275
  583   1HB   ASP  74          2HB       ASP  74  31.973  -4.886  -6.027
  584   2HB   ASP  74          1HB       ASP  74  32.219  -6.437  -6.824
  585    H    ASN  75           H        ASN  75  29.569  -5.286  -4.083
  586    HA   ASN  75           HA       ASN  75  30.589  -7.645  -2.788
  587   1HB   ASN  75          2HB       ASN  75  29.039  -5.311  -1.648
  588   2HB   ASN  75          1HB       ASN  75  29.863  -6.552  -0.710
  589   1HD2  ASN  75          1HD2      ASN  75  32.223  -6.835  -1.973
  590   2HD2  ASN  75          2HD2      ASN  75  33.122  -5.362  -1.917
  591    H    GLU  76           H        GLU  76  27.810  -7.115  -4.458
  592    HA   GLU  76           HA       GLU  76  26.114  -8.668  -2.650
  593   1HB   GLU  76          2HB       GLU  76  25.460  -7.204  -5.212
  594   2HB   GLU  76          1HB       GLU  76  24.293  -8.100  -4.247
  595   1HG   GLU  76          2HG       GLU  76  24.731  -6.587  -2.357
  596   2HG   GLU  76          1HG       GLU  76  25.838  -5.668  -3.376
  597    H    GLY  77           H        GLY  77  28.341  -9.878  -3.990
  598   1HA   GLY  77          2HA       GLY  77  28.871 -11.771  -5.176
  599   2HA   GLY  77          1HA       GLY  77  27.238 -12.291  -4.800
  600    H    ASN  78           H        ASN  78  27.441  -9.383  -6.597
  601    HA   ASN  78           HA       ASN  78  26.628  -8.868  -8.665
  602   1HB   ASN  78          2HB       ASN  78  28.895 -10.702  -8.961
  603   2HB   ASN  78          1HB       ASN  78  27.861 -10.629 -10.384
  604   1HD2  ASN  78          1HD2      ASN  78  28.426  -8.014  -8.103
  605   2HD2  ASN  78          2HD2      ASN  78  29.246  -6.976  -9.215
  606    H    GLU  79           H        GLU  79  26.032 -10.201 -10.935
  607    HA   GLU  79           HA       GLU  79  24.368 -11.371 -11.953
  608   1HB   GLU  79          2HB       GLU  79  24.851 -13.278  -9.656
  609   2HB   GLU  79          1HB       GLU  79  23.908 -13.651 -11.093
  610   1HG   GLU  79          2HG       GLU  79  25.913 -13.291 -12.472
  611   2HG   GLU  79          1HG       GLU  79  26.845 -12.998 -11.005
  612    H    VAL  80           H        VAL  80  23.397  -9.295 -10.582
  613    HA   VAL  80           HA       VAL  80  20.933 -10.361  -9.369
  614    HB   VAL  80           HB       VAL  80  20.831  -8.346  -7.940
  615   1HG1  VAL  80          1HG1      VAL  80  23.468  -9.488  -7.256
  616   2HG1  VAL  80          2HG1      VAL  80  22.143 -10.633  -7.462
  617   3HG1  VAL  80          3HG1      VAL  80  22.009  -9.332  -6.279
  618   1HG2  VAL  80          1HG2      VAL  80  22.851  -6.972  -7.656
  619   2HG2  VAL  80          2HG2      VAL  80  22.184  -6.841  -9.283
  620   3HG2  VAL  80          3HG2      VAL  80  23.612  -7.835  -8.992
  621    H    VAL  81           H        VAL  81  19.024  -9.121  -9.705
  622    HA   VAL  81           HA       VAL  81  19.171  -7.000 -11.717
  623    HB   VAL  81           HB       VAL  81  17.301  -8.009 -12.996
  624   1HG1  VAL  81          1HG1      VAL  81  18.708  -9.906 -13.986
  625   2HG1  VAL  81          2HG1      VAL  81  19.923  -9.454 -12.787
  626   3HG1  VAL  81          3HG1      VAL  81  19.397  -8.281 -13.996
  627   1HG2  VAL  81          1HG2      VAL  81  16.321  -9.978 -12.483
  628   2HG2  VAL  81          2HG2      VAL  81  16.902  -9.600 -10.860
  629   3HG2  VAL  81          3HG2      VAL  81  17.821 -10.694 -11.893
  630    HA   PRO  82           HA       PRO  82  16.058  -5.129  -9.210
  631   1HB   PRO  82          2HB       PRO  82  14.778  -3.588 -11.044
  632   2HB   PRO  82          1HB       PRO  82  16.386  -3.203 -10.421
  633   1HG   PRO  82          2HG       PRO  82  15.618  -4.535 -12.991
  634   2HG   PRO  82          1HG       PRO  82  16.840  -3.283 -12.701
  635   1HD   PRO  82          2HD       PRO  82  17.479  -5.895 -12.978
  636   2HD   PRO  82          1HD       PRO  82  18.393  -4.800 -11.922
  637    H    LYS  83           H        LYS  83  13.933  -5.379  -8.603
  638    HA   LYS  83           HA       LYS  83  12.050  -6.623 -10.439
  639   1HB   LYS  83          2HB       LYS  83  13.190  -8.524  -9.389
  640   2HB   LYS  83          1HB       LYS  83  12.801  -7.888  -7.798
  641   1HG   LYS  83          2HG       LYS  83  11.144  -9.428  -8.022
  642   2HG   LYS  83          1HG       LYS  83  10.338  -8.021  -8.719
  643   1HD   LYS  83          2HD       LYS  83   9.921  -9.437 -10.428
  644   2HD   LYS  83          1HD       LYS  83  11.565  -9.012 -10.910
  645   1HE   LYS  83          2HE       LYS  83  11.362 -11.206  -8.964
  646   2HE   LYS  83          1HE       LYS  83  10.671 -11.549 -10.550
  647   1HZ   LYS  83          1HZ       LYS  83  12.982 -12.186 -10.484
  648   2HZ   LYS  83          2HZ       LYS  83  13.443 -10.630 -10.011
  649   3HZ   LYS  83          3HZ       LYS  83  12.789 -10.885 -11.548
  650    HA   PRO  84           HA       PRO  84   9.349  -3.828  -8.298
  651   1HB   PRO  84          2HB       PRO  84   6.961  -4.910  -9.034
  652   2HB   PRO  84          1HB       PRO  84   7.954  -3.925 -10.114
  653   1HG   PRO  84          2HG       PRO  84   7.715  -6.904  -9.949
  654   2HG   PRO  84          1HG       PRO  84   7.779  -5.864 -11.384
  655   1HD   PRO  84          2HD       PRO  84   9.931  -7.233 -10.502
  656   2HD   PRO  84          1HD       PRO  84  10.075  -5.642 -11.277
  657    H    GLN  85           H        GLN  85   8.455  -3.718  -6.312
  658    HA   GLN  85           HA       GLN  85   8.148  -6.227  -4.835
  659   1HB   GLN  85          2HB       GLN  85   8.267  -4.860  -2.822
  660   2HB   GLN  85          1HB       GLN  85   9.630  -4.513  -3.876
  661   1HG   GLN  85          2HG       GLN  85   8.484  -2.498  -4.674
  662   2HG   GLN  85          1HG       GLN  85   7.147  -2.840  -3.578
  663   1HE2  GLN  85          1HE2      GLN  85  10.375  -1.668  -3.880
  664   2HE2  GLN  85          2HE2      GLN  85  10.556  -1.112  -2.255
  665    H    ARG  86           H        ARG  86   6.247  -6.887  -3.965
  666    HA   ARG  86           HA       ARG  86   3.895  -5.184  -4.475
  667   1HB   ARG  86          2HB       ARG  86   4.123  -8.198  -4.500
  668   2HB   ARG  86          1HB       ARG  86   2.605  -7.318  -4.615
  669   1HG   ARG  86          2HG       ARG  86   3.420  -6.244  -6.682
  670   2HG   ARG  86          1HG       ARG  86   4.885  -7.223  -6.578
  671   1HD   ARG  86          2HD       ARG  86   3.428  -9.255  -6.612
  672   2HD   ARG  86          1HD       ARG  86   2.056  -8.196  -6.935
  673    HE   ARG  86           HE       ARG  86   4.229  -7.860  -8.784
  674   1HH1  ARG  86          1HH1      ARG  86   1.355  -9.703  -8.058
  675   2HH1  ARG  86          2HH1      ARG  86   1.087 -10.169  -9.704
  676   1HH2  ARG  86          1HH2      ARG  86   3.879  -8.471 -10.949
  677   2HH2  ARG  86          2HH2      ARG  86   2.520  -9.471 -11.346
  678    H    HIS  87           H        HIS  87   2.480  -4.817  -2.850
  679    HA   HIS  87           HA       HIS  87   3.086  -6.057  -0.246
  680   1HB   HIS  87          2HB       HIS  87   2.299  -3.262  -0.989
  681   2HB   HIS  87          1HB       HIS  87   1.881  -3.889   0.602
  682    HD1  HIS  87           HD1      HIS  87   3.596  -3.514   2.339
  683    HD2  HIS  87           HD2      HIS  87   5.241  -3.530  -1.477
  684    HE1  HIS  87           HE1      HIS  87   6.030  -2.961   2.655
  685    HE2  HIS  87           HE2      HIS  87   6.984  -2.890   0.324
  686    H    MET  88           H        MET  88   1.559  -7.356   0.513
  687    HA   MET  88           HA       MET  88  -1.161  -7.108  -0.561
  688   1HB   MET  88          2HB       MET  88   0.007  -9.287  -0.833
  689   2HB   MET  88          1HB       MET  88   0.087  -9.431   0.916
  690   1HG   MET  88          2HG       MET  88  -2.377  -9.383   0.999
  691   2HG   MET  88          1HG       MET  88  -2.408  -9.345  -0.762
  692   1HE   MET  88          1HE       MET  88  -3.680 -12.370  -1.045
  693   2HE   MET  88          2HE       MET  88  -4.099 -11.007  -0.005
  694   3HE   MET  88          3HE       MET  88  -3.776 -12.592   0.702
  695    H    PHE  89           H        PHE  89  -2.702  -6.283   0.676
  696    HA   PHE  89           HA       PHE  89  -2.296  -6.260   3.594
  697   1HB   PHE  89          2HB       PHE  89  -3.681  -4.283   1.784
  698   2HB   PHE  89          1HB       PHE  89  -3.864  -4.264   3.535
  699    HD1  PHE  89           HD1      PHE  89  -1.769  -3.390   0.740
  700    HD2  PHE  89           HD2      PHE  89  -1.876  -3.857   4.967
  701    HE1  PHE  89           HE1      PHE  89   0.281  -2.045   0.934
  702    HE2  PHE  89           HE2      PHE  89   0.176  -2.508   5.171
  703    HZ   PHE  89           HZ       PHE  89   1.256  -1.602   3.152
  704    H    SER  90           H        SER  90  -4.201  -6.398   4.928
  705    HA   SER  90           HA       SER  90  -6.435  -7.815   3.629
  706   1HB   SER  90          2HB       SER  90  -6.048  -8.540   6.427
  707   2HB   SER  90          1HB       SER  90  -6.230  -9.578   5.014
  708    HG   SER  90           HG       SER  90  -4.045  -9.147   6.382
  709    H    PHE  91           H        PHE  91  -8.305  -6.778   3.861
  710    HA   PHE  91           HA       PHE  91  -8.540  -4.762   5.962
  711   1HB   PHE  91          2HB       PHE  91  -9.850  -5.186   3.309
  712   2HB   PHE  91          1HB       PHE  91 -10.684  -4.240   4.538
  713    HD1  PHE  91           HD1      PHE  91  -7.679  -4.438   2.438
  714    HD2  PHE  91           HD2      PHE  91  -9.980  -2.061   5.109
  715    HE1  PHE  91           HE1      PHE  91  -6.343  -2.470   1.819
  716    HE2  PHE  91           HE2      PHE  91  -8.649  -0.077   4.495
  717    HZ   PHE  91           HZ       PHE  91  -6.827  -0.282   2.846
  718    H    ASN  92           H        ASN  92 -10.115  -4.750   7.466
  719    HA   ASN  92           HA       ASN  92 -11.681  -7.217   7.729
  720   1HB   ASN  92          2HB       ASN  92 -10.930  -5.112   9.770
  721   2HB   ASN  92          1HB       ASN  92 -11.969  -6.493  10.106
  722   1HD2  ASN  92          1HD2      ASN  92  -9.627  -6.004  11.498
  723   2HD2  ASN  92          2HD2      ASN  92  -8.490  -7.253  11.137
  724    H    ASN  93           H        ASN  93 -12.162  -4.511   6.201
  725    HA   ASN  93           HA       ASN  93 -14.986  -4.473   6.751
  726   1HB   ASN  93          2HB       ASN  93 -13.176  -2.251   7.511
  727   2HB   ASN  93          1HB       ASN  93 -14.710  -1.812   6.765
  728   1HD2  ASN  93          1HD2      ASN  93 -16.477  -3.535   7.728
  729   2HD2  ASN  93          2HD2      ASN  93 -16.582  -3.441   9.450
  730    H    ARG  94           H        ARG  94 -16.133  -4.173   4.948
  731    HA   ARG  94           HA       ARG  94 -14.834  -3.982   2.448
  732   1HB   ARG  94          2HB       ARG  94 -17.747  -3.709   3.195
  733   2HB   ARG  94          1HB       ARG  94 -17.164  -3.763   1.538
  734   1HG   ARG  94          2HG       ARG  94 -16.146  -5.995   2.078
  735   2HG   ARG  94          1HG       ARG  94 -17.022  -5.935   3.610
  736   1HD   ARG  94          2HD       ARG  94 -19.129  -5.631   2.290
  737   2HD   ARG  94          1HD       ARG  94 -18.187  -5.930   0.830
  738    HE   ARG  94           HE       ARG  94 -17.913  -7.997   2.802
  739   1HH1  ARG  94          1HH1      ARG  94 -19.867  -6.825   0.157
  740   2HH1  ARG  94          2HH1      ARG  94 -20.523  -8.385  -0.212
  741   1HH2  ARG  94          1HH2      ARG  94 -18.776 -10.048   2.317
  742   2HH2  ARG  94          2HH2      ARG  94 -19.904 -10.213   1.013
  743    H    THR  95           H        THR  95 -16.829  -1.660   4.266
  744    HA   THR  95           HA       THR  95 -16.665   0.414   2.408
  745    HB   THR  95           HB       THR  95 -16.865   1.065   5.278
  746    HG1  THR  95           HG1      THR  95 -18.775  -0.581   3.991
  747   1HG2  THR  95          1HG2      THR  95 -18.802   2.293   4.615
  748   2HG2  THR  95          2HG2      THR  95 -18.772   1.541   3.021
  749   3HG2  THR  95          3HG2      THR  95 -17.489   2.654   3.494
  750    H    VAL  96           H        VAL  96 -14.617  -0.596   5.034
  751    HA   VAL  96           HA       VAL  96 -12.984   1.717   5.077
  752    HB   VAL  96           HB       VAL  96 -12.420  -1.066   6.097
  753   1HG1  VAL  96          1HG1      VAL  96 -10.869   1.493   6.361
  754   2HG1  VAL  96          2HG1      VAL  96 -10.300  -0.092   5.836
  755   3HG1  VAL  96          3HG1      VAL  96 -10.715   0.179   7.529
  756   1HG2  VAL  96          1HG2      VAL  96 -14.329   0.418   7.058
  757   2HG2  VAL  96          2HG2      VAL  96 -13.007   1.317   7.802
  758   3HG2  VAL  96          3HG2      VAL  96 -13.219  -0.396   8.160
  759    H    MET  97           H        MET  97 -12.809  -1.371   3.430
  760    HA   MET  97           HA       MET  97 -10.204  -0.896   2.340
  761   1HB   MET  97          2HB       MET  97 -10.580  -2.866   0.991
  762   2HB   MET  97          1HB       MET  97 -11.128  -3.173   2.632
  763   1HG   MET  97          2HG       MET  97 -13.370  -3.092   2.026
  764   2HG   MET  97          1HG       MET  97 -13.029  -2.281   0.501
  765   1HE   MET  97          1HE       MET  97 -11.814  -3.370  -1.487
  766   2HE   MET  97          2HE       MET  97 -11.507  -5.097  -1.679
  767   3HE   MET  97          3HE       MET  97 -10.511  -4.140  -0.582
  768    H    ASP  98           H        ASP  98 -13.488  -0.252   1.328
  769    HA   ASP  98           HA       ASP  98 -12.802   0.437  -1.351
  770   1HB   ASP  98          2HB       ASP  98 -15.075  -0.340  -0.645
  771   2HB   ASP  98          1HB       ASP  98 -15.289   1.201   0.182
  772    H    ASN  99           H        ASN  99 -12.982   2.106   1.675
  773    HA   ASN  99           HA       ASN  99 -12.995   4.737   0.596
  774   1HB   ASN  99          2HB       ASN  99 -12.323   3.679   3.340
  775   2HB   ASN  99          1HB       ASN  99 -12.320   5.395   2.942
  776   1HD2  ASN  99          1HD2      ASN  99 -13.932   4.331   4.916
  777   2HD2  ASN  99          2HD2      ASN  99 -15.584   4.458   4.425
  778    H    ILE 100           H        ILE 100 -10.561   2.446   1.515
  779    HA   ILE 100           HA       ILE 100  -8.387   4.339   1.210
  780    HB   ILE 100           HB       ILE 100  -8.311   1.352   1.667
  781   1HG1  ILE 100          2HG1      ILE 100  -9.368   2.642   3.506
  782   2HG1  ILE 100          1HG1      ILE 100  -7.856   1.884   3.990
  783   1HG2  ILE 100          1HG2      ILE 100  -6.267   2.105   0.646
  784   2HG2  ILE 100          2HG2      ILE 100  -5.971   1.756   2.350
  785   3HG2  ILE 100          3HG2      ILE 100  -6.131   3.427   1.806
  786   1HD1  ILE 100          1HD1      ILE 100  -8.564   4.729   3.760
  787   2HD1  ILE 100          2HD1      ILE 100  -6.940   4.287   3.236
  788   3HD1  ILE 100          3HD1      ILE 100  -7.471   3.912   4.876
  789    H    LYS 101           H        LYS 101  -9.671   1.502  -0.480
  790    HA   LYS 101           HA       LYS 101  -7.731   1.322  -2.482
  791   1HB   LYS 101          2HB       LYS 101  -9.402  -0.427  -2.040
  792   2HB   LYS 101          1HB       LYS 101 -10.668   0.628  -2.655
  793   1HG   LYS 101          2HG       LYS 101  -9.697   0.580  -4.861
  794   2HG   LYS 101          1HG       LYS 101  -8.328  -0.364  -4.269
  795   1HD   LYS 101          2HD       LYS 101  -9.793  -1.906  -5.307
  796   2HD   LYS 101          1HD       LYS 101 -10.004  -2.120  -3.568
  797   1HE   LYS 101          2HE       LYS 101 -12.172  -2.123  -4.542
  798   2HE   LYS 101          1HE       LYS 101 -11.977  -0.579  -3.714
  799   1HZ   LYS 101          1HZ       LYS 101 -12.266  -1.140  -6.544
  800   2HZ   LYS 101          2HZ       LYS 101 -11.116   0.039  -6.159
  801   3HZ   LYS 101          3HZ       LYS 101 -12.720   0.229  -5.657
  802    H    MET 102           H        MET 102 -10.554   3.384  -2.195
  803    HA   MET 102           HA       MET 102 -10.395   4.322  -4.903
  804   1HB   MET 102          2HB       MET 102 -12.004   5.224  -2.523
  805   2HB   MET 102          1HB       MET 102 -12.097   6.012  -4.092
  806   1HG   MET 102          2HG       MET 102 -12.837   3.914  -5.101
  807   2HG   MET 102          1HG       MET 102 -12.751   3.129  -3.525
  808   1HE   MET 102          1HE       MET 102 -15.777   6.082  -5.136
  809   2HE   MET 102          2HE       MET 102 -14.084   5.902  -5.594
  810   3HE   MET 102          3HE       MET 102 -14.522   6.910  -4.214
  811    H    THR 103           H        THR 103  -9.533   5.586  -1.744
  812    HA   THR 103           HA       THR 103  -8.681   8.116  -2.662
  813    HB   THR 103           HB       THR 103  -9.215   7.310  -0.242
  814    HG1  THR 103           HG1      THR 103  -8.666   9.403  -0.512
  815   1HG2  THR 103          1HG2      THR 103  -7.243   6.889   1.130
  816   2HG2  THR 103          2HG2      THR 103  -6.255   6.770  -0.328
  817   3HG2  THR 103          3HG2      THR 103  -7.528   5.588  -0.025
  818    H    LEU 104           H        LEU 104  -7.034   5.043  -2.208
  819    HA   LEU 104           HA       LEU 104  -4.415   6.003  -2.696
  820   1HB   LEU 104          2HB       LEU 104  -5.653   3.265  -2.912
  821   2HB   LEU 104          1HB       LEU 104  -3.956   3.559  -3.240
  822    HG   LEU 104           HG       LEU 104  -5.330   4.095  -0.605
  823   1HD1  LEU 104          1HD1      LEU 104  -5.118   1.691  -1.192
  824   2HD1  LEU 104          2HD1      LEU 104  -4.182   2.161   0.226
  825   3HD1  LEU 104          3HD1      LEU 104  -3.375   1.918  -1.323
  826   1HD2  LEU 104          1HD2      LEU 104  -3.031   4.397   0.228
  827   2HD2  LEU 104          2HD2      LEU 104  -3.477   5.607  -0.976
  828   3HD2  LEU 104          3HD2      LEU 104  -2.433   4.258  -1.424
  829    H    GLN 105           H        GLN 105  -7.014   4.875  -4.770
  830    HA   GLN 105           HA       GLN 105  -5.476   4.632  -7.132
  831   1HB   GLN 105          2HB       GLN 105  -8.407   4.911  -6.569
  832   2HB   GLN 105          1HB       GLN 105  -7.815   4.979  -8.224
  833   1HG   GLN 105          2HG       GLN 105  -6.886   2.770  -8.034
  834   2HG   GLN 105          1HG       GLN 105  -7.310   2.699  -6.324
  835   1HE2  GLN 105          1HE2      GLN 105  -8.443   2.436  -9.571
  836   2HE2  GLN 105          2HE2      GLN 105 -10.033   1.872  -9.199
  837    H    GLN 106           H        GLN 106  -7.069   7.297  -5.569
  838    HA   GLN 106           HA       GLN 106  -6.998   9.107  -7.735
  839   1HB   GLN 106          2HB       GLN 106  -7.040   9.595  -4.752
  840   2HB   GLN 106          1HB       GLN 106  -7.217  10.865  -5.955
  841   1HG   GLN 106          2HG       GLN 106  -9.243   9.828  -6.788
  842   2HG   GLN 106          1HG       GLN 106  -9.057   8.504  -5.638
  843   1HE2  GLN 106          1HE2      GLN 106 -11.354  10.016  -5.742
  844   2HE2  GLN 106          2HE2      GLN 106 -11.485  10.960  -4.301
  845    H    ILE 107           H        ILE 107  -4.725   8.364  -5.139
  846    HA   ILE 107           HA       ILE 107  -2.863  10.397  -5.614
  847    HB   ILE 107           HB       ILE 107  -2.386   7.578  -4.631
  848   1HG1  ILE 107          2HG1      ILE 107  -2.483  10.074  -2.955
  849   2HG1  ILE 107          1HG1      ILE 107  -3.959   9.207  -3.369
  850   1HG2  ILE 107          1HG2      ILE 107  -0.216   8.007  -4.631
  851   2HG2  ILE 107          2HG2      ILE 107  -0.482   9.424  -3.615
  852   3HG2  ILE 107          3HG2      ILE 107  -0.519   9.578  -5.372
  853   1HD1  ILE 107          1HD1      ILE 107  -2.127   7.294  -2.416
  854   2HD1  ILE 107          2HD1      ILE 107  -3.609   7.867  -1.652
  855   3HD1  ILE 107          3HD1      ILE 107  -2.076   8.666  -1.308
  856    H    ILE 108           H        ILE 108  -3.207   7.177  -7.007
  857    HA   ILE 108           HA       ILE 108  -0.941   7.019  -8.594
  858    HB   ILE 108           HB       ILE 108  -3.635   6.129  -9.577
  859   1HG1  ILE 108          2HG1      ILE 108  -3.676   5.350  -7.355
  860   2HG1  ILE 108          1HG1      ILE 108  -3.144   3.976  -8.315
  861   1HG2  ILE 108          1HG2      ILE 108  -2.120   4.148 -10.278
  862   2HG2  ILE 108          2HG2      ILE 108  -0.808   5.301 -10.030
  863   3HG2  ILE 108          3HG2      ILE 108  -2.084   5.654 -11.195
  864   1HD1  ILE 108          1HD1      ILE 108  -0.895   4.254  -7.599
  865   2HD1  ILE 108          2HD1      ILE 108  -1.925   4.300  -6.169
  866   3HD1  ILE 108          3HD1      ILE 108  -1.271   5.797  -6.833
  867    H    SER 109           H        SER 109  -4.104   8.250  -9.403
  868    HA   SER 109           HA       SER 109  -3.650   9.098 -11.997
  869   1HB   SER 109          2HB       SER 109  -5.436  10.450  -9.966
  870   2HB   SER 109          1HB       SER 109  -5.568  10.583 -11.720
  871    HG   SER 109           HG       SER 109  -6.406   8.622 -11.825
  872    H    ARG 110           H        ARG 110  -2.725  10.602  -9.011
  873    HA   ARG 110           HA       ARG 110  -2.130  13.153 -10.098
  874   1HB   ARG 110          2HB       ARG 110  -1.108  11.857  -7.570
  875   2HB   ARG 110          1HB       ARG 110  -0.939  13.558  -7.979
  876   1HG   ARG 110          2HG       ARG 110  -3.410  13.745  -8.008
  877   2HG   ARG 110          1HG       ARG 110  -3.504  12.073  -7.455
  878   1HD   ARG 110          2HD       ARG 110  -3.717  13.463  -5.536
  879   2HD   ARG 110          1HD       ARG 110  -2.107  12.744  -5.485
  880    HE   ARG 110           HE       ARG 110  -1.679  15.108  -6.721
  881   1HH1  ARG 110          1HH1      ARG 110  -3.284  14.239  -3.746
  882   2HH1  ARG 110          2HH1      ARG 110  -2.905  15.733  -2.958
  883   1HH2  ARG 110          1HH2      ARG 110  -1.179  17.074  -5.686
  884   2HH2  ARG 110          2HH2      ARG 110  -1.710  17.343  -4.059
  885    H    TYR 111           H        TYR 111  -0.346  10.199  -9.677
  886    HA   TYR 111           HA       TYR 111   2.204  11.328 -10.313
  887   1HB   TYR 111          2HB       TYR 111   1.178   8.512 -10.078
  888   2HB   TYR 111          1HB       TYR 111   2.808   8.845 -10.654
  889    HD1  TYR 111           HD1      TYR 111   4.341  10.218  -9.124
  890    HD2  TYR 111           HD2      TYR 111   0.731   8.408  -7.786
  891    HE1  TYR 111           HE1      TYR 111   5.138  10.361  -6.802
  892    HE2  TYR 111           HE2      TYR 111   1.517   8.546  -5.461
  893    HH   TYR 111           HH       TYR 111   3.574   8.740  -4.219
  894    H    LYS 112           H        LYS 112  -0.397   9.878 -12.086
  895    HA   LYS 112           HA       LYS 112   1.044   9.528 -14.519
  896   1HB   LYS 112          2HB       LYS 112  -1.899   9.516 -13.862
  897   2HB   LYS 112          1HB       LYS 112  -1.285   9.251 -15.488
  898   1HG   LYS 112          2HG       LYS 112  -0.607   7.157 -15.033
  899   2HG   LYS 112          1HG       LYS 112  -0.076   7.569 -13.402
  900   1HD   LYS 112          2HD       LYS 112  -1.923   6.057 -13.222
  901   2HD   LYS 112          1HD       LYS 112  -2.476   7.656 -12.721
  902   1HE   LYS 112          2HE       LYS 112  -4.110   6.524 -14.162
  903   2HE   LYS 112          1HE       LYS 112  -3.502   8.009 -14.890
  904   1HZ   LYS 112          1HZ       LYS 112  -2.450   5.309 -15.531
  905   2HZ   LYS 112          2HZ       LYS 112  -2.097   6.759 -16.327
  906   3HZ   LYS 112          3HZ       LYS 112  -3.647   6.092 -16.436
  907    H    ASP 113           H        ASP 113  -0.861  12.080 -13.082
  908    HA   ASP 113           HA       ASP 113  -1.364  13.632 -15.355
  909   1HB   ASP 113          2HB       ASP 113  -0.941  14.453 -12.477
  910   2HB   ASP 113          1HB       ASP 113  -1.512  15.545 -13.735
  911    H    ALA 114           H        ALA 114   1.457  13.448 -13.252
  912    HA   ALA 114           HA       ALA 114   2.840  15.681 -14.240
  913   1HB   ALA 114          1HB       ALA 114   3.708  14.859 -12.264
  914   2HB   ALA 114          2HB       ALA 114   4.889  14.291 -13.444
  915   3HB   ALA 114          3HB       ALA 114   3.665  13.186 -12.818
  916    H    ASP 115           H        ASP 115   2.555  12.395 -15.418
  917    HA   ASP 115           HA       ASP 115   4.045  13.194 -17.823
  918   1HB   ASP 115          2HB       ASP 115   4.303  10.580 -16.325
  919   2HB   ASP 115          1HB       ASP 115   4.952  10.858 -17.938
  Start of MODEL    7
    1    HT1  PRO   1           HT2      PRO   1 -15.472   8.741   7.460
    2    HT2  PRO   1           HT1      PRO   1 -15.126   7.594   6.246
    3    HA   PRO   1           HA       PRO   1 -13.430   9.328   7.550
    4   1HB   PRO   1          2HB       PRO   1 -12.239   6.654   7.836
    5   2HB   PRO   1          1HB       PRO   1 -12.198   8.033   8.942
    6   1HG   PRO   1          2HG       PRO   1 -13.717   5.834   9.408
    7   2HG   PRO   1          1HG       PRO   1 -14.177   7.455   9.955
    8   1HD   PRO   1          2HD       PRO   1 -15.231   5.855   7.661
    9   2HD   PRO   1          1HD       PRO   1 -16.079   6.991   8.730
   10    H    SER   2           H        SER   2 -12.031   9.939   6.006
   11    HA   SER   2           HA       SER   2 -11.548   8.094   3.758
   12   1HB   SER   2          2HB       SER   2 -11.830  11.106   3.634
   13   2HB   SER   2          1HB       SER   2 -11.461  10.053   2.269
   14    HG   SER   2           HG       SER   2 -13.522   8.976   2.860
   15    H    HIS   3           H        HIS   3  -9.497   8.171   2.771
   16    HA   HIS   3           HA       HIS   3  -7.227   8.290   2.737
   17   1HB   HIS   3          2HB       HIS   3  -7.955  10.944   3.931
   18   2HB   HIS   3          1HB       HIS   3  -6.266  10.472   3.795
   19    HD1  HIS   3           HD1      HIS   3  -9.298  11.117   1.632
   20    HD2  HIS   3           HD2      HIS   3  -5.169  10.784   1.302
   21    HE1  HIS   3           HE1      HIS   3  -8.752  11.821  -0.720
   22    HE2  HIS   3           HE2      HIS   3  -6.240  11.696  -0.868
   23    H    SER   4           H        SER   4  -8.647   7.044   5.016
   24    HA   SER   4           HA       SER   4  -6.442   6.297   6.559
   25   1HB   SER   4          2HB       SER   4  -7.042   7.341   8.737
   26   2HB   SER   4          1HB       SER   4  -6.527   8.522   7.533
   27    HG   SER   4           HG       SER   4  -8.998   8.154   8.716
   28    H    GLY   5           H        GLY   5  -6.954   4.284   7.036
   29   1HA   GLY   5          2HA       GLY   5  -9.424   3.662   8.403
   30   2HA   GLY   5          1HA       GLY   5  -9.309   2.991   6.782
   31    H    ALA   6           H        ALA   6  -9.482   1.503   9.239
   32    HA   ALA   6           HA       ALA   6  -6.940   0.563  10.026
   33   1HB   ALA   6          1HB       ALA   6  -9.627  -0.770  10.275
   34   2HB   ALA   6          2HB       ALA   6  -8.858   0.280  11.467
   35   3HB   ALA   6          3HB       ALA   6  -8.145  -1.288  11.080
   36    H    ALA   7           H        ALA   7  -5.714  -1.094   9.347
   37    HA   ALA   7           HA       ALA   7  -6.688  -2.963   7.375
   38   1HB   ALA   7          1HB       ALA   7  -6.026  -1.088   5.979
   39   2HB   ALA   7          2HB       ALA   7  -4.941  -2.457   5.734
   40   3HB   ALA   7          3HB       ALA   7  -4.425  -1.087   6.720
   41    H    ILE   8           H        ILE   8  -5.437  -4.847   7.184
   42    HA   ILE   8           HA       ILE   8  -3.515  -5.225   9.358
   43    HB   ILE   8           HB       ILE   8  -4.661  -7.301   7.501
   44   1HG1  ILE   8          2HG1      ILE   8  -5.585  -6.751  10.310
   45   2HG1  ILE   8          1HG1      ILE   8  -6.362  -6.030   8.899
   46   1HG2  ILE   8          1HG2      ILE   8  -3.747  -8.921   8.848
   47   2HG2  ILE   8          2HG2      ILE   8  -3.641  -7.854  10.246
   48   3HG2  ILE   8          3HG2      ILE   8  -2.501  -7.677   8.914
   49   1HD1  ILE   8          1HD1      ILE   8  -5.940  -8.969   9.009
   50   2HD1  ILE   8          2HD1      ILE   8  -7.168  -8.030   8.152
   51   3HD1  ILE   8          3HD1      ILE   8  -7.277  -8.235   9.902
   52    H    PHE   9           H        PHE   9  -1.453  -5.906   9.061
   53    HA   PHE   9           HA       PHE   9  -0.484  -6.440   6.372
   54   1HB   PHE   9          2HB       PHE   9  -0.196  -4.021   6.600
   55   2HB   PHE   9          1HB       PHE   9   0.681  -4.254   8.105
   56    HD1  PHE   9           HD1      PHE   9   0.852  -5.696   4.667
   57    HD2  PHE   9           HD2      PHE   9   2.923  -3.890   7.912
   58    HE1  PHE   9           HE1      PHE   9   2.958  -5.858   3.405
   59    HE2  PHE   9           HE2      PHE   9   5.036  -4.046   6.659
   60    HZ   PHE   9           HZ       PHE   9   5.055  -5.032   4.400
   61    H    GLU  10           H        GLU  10   0.297  -8.407   6.700
   62    HA   GLU  10           HA       GLU  10   1.773 -10.014   7.343
   63   1HB   GLU  10          2HB       GLU  10   2.845  -8.082   9.393
   64   2HB   GLU  10          1HB       GLU  10   3.627  -9.529   8.780
   65   1HG   GLU  10          2HG       GLU  10   3.735  -8.476   6.547
   66   2HG   GLU  10          1HG       GLU  10   3.061  -7.004   7.247
   67    H    LYS  11           H        LYS  11  -0.750 -10.181   8.233
   68    HA   LYS  11           HA       LYS  11  -2.072 -11.219   9.723
   69   1HB   LYS  11          2HB       LYS  11   0.653 -12.116  10.472
   70   2HB   LYS  11          1HB       LYS  11  -0.689 -12.547  11.524
   71   1HG   LYS  11          2HG       LYS  11  -0.912 -13.035   8.598
   72   2HG   LYS  11          1HG       LYS  11   0.063 -14.130   9.584
   73   1HD   LYS  11          2HD       LYS  11  -1.912 -14.431  11.077
   74   2HD   LYS  11          1HD       LYS  11  -2.861 -13.475   9.936
   75   1HE   LYS  11          2HE       LYS  11  -1.846 -15.252   8.232
   76   2HE   LYS  11          1HE       LYS  11  -1.803 -16.235   9.695
   77   1HZ   LYS  11          1HZ       LYS  11  -4.192 -15.672   9.997
   78   2HZ   LYS  11          2HZ       LYS  11  -3.874 -16.605   8.622
   79   3HZ   LYS  11          3HZ       LYS  11  -4.177 -14.947   8.469
   80    H    VAL  12           H        VAL  12  -0.725  -8.460  10.389
   81    HA   VAL  12           HA       VAL  12  -1.724  -8.414  13.129
   82    HB   VAL  12           HB       VAL  12   0.596  -6.819  12.040
   83   1HG1  VAL  12          1HG1      VAL  12  -0.578  -6.777  14.816
   84   2HG1  VAL  12          2HG1      VAL  12  -0.824  -5.526  13.598
   85   3HG1  VAL  12          3HG1      VAL  12   0.792  -5.831  14.235
   86   1HG2  VAL  12          1HG2      VAL  12   1.195  -9.119  12.545
   87   2HG2  VAL  12          2HG2      VAL  12   0.494  -8.962  14.156
   88   3HG2  VAL  12          3HG2      VAL  12   1.919  -8.020  13.718
   89    H    SER  13           H        SER  13  -3.122  -6.739  13.611
   90    HA   SER  13           HA       SER  13  -3.971  -5.172  11.283
   91   1HB   SER  13          2HB       SER  13  -5.528  -5.472  13.847
   92   2HB   SER  13          1HB       SER  13  -6.125  -5.044  12.244
   93    HG   SER  13           HG       SER  13  -6.276  -7.361  13.194
   94    H    GLY  14           H        GLY  14  -4.298  -3.006  11.348
   95   1HA   GLY  14          2HA       GLY  14  -3.896  -1.427  13.701
   96   2HA   GLY  14          1HA       GLY  14  -2.506  -1.385  12.621
   97    H    ILE  15           H        ILE  15  -3.473   0.992  12.899
   98    HA   ILE  15           HA       ILE  15  -5.573   1.461  10.935
   99    HB   ILE  15           HB       ILE  15  -4.186   3.344  12.836
  100   1HG1  ILE  15          2HG1      ILE  15  -6.341   1.509  13.115
  101   2HG1  ILE  15          1HG1      ILE  15  -5.729   2.655  14.304
  102   1HG2  ILE  15          1HG2      ILE  15  -5.941   4.977  12.132
  103   2HG2  ILE  15          2HG2      ILE  15  -6.356   3.883  10.813
  104   3HG2  ILE  15          3HG2      ILE  15  -4.751   4.609  10.883
  105   1HD1  ILE  15          1HD1      ILE  15  -8.068   3.003  14.064
  106   2HD1  ILE  15          2HD1      ILE  15  -7.934   3.088  12.307
  107   3HD1  ILE  15          3HD1      ILE  15  -7.248   4.369  13.308
  108    H    ILE  16           H        ILE  16  -5.217   2.062   8.943
  109    HA   ILE  16           HA       ILE  16  -2.488   2.743   8.130
  110    HB   ILE  16           HB       ILE  16  -4.687   1.220   6.949
  111   1HG1  ILE  16          2HG1      ILE  16  -1.713   1.431   6.468
  112   2HG1  ILE  16          1HG1      ILE  16  -2.575   0.201   7.378
  113   1HG2  ILE  16          1HG2      ILE  16  -5.048   3.061   5.484
  114   2HG2  ILE  16          2HG2      ILE  16  -4.113   1.871   4.580
  115   3HG2  ILE  16          3HG2      ILE  16  -3.317   3.298   5.242
  116   1HD1  ILE  16          1HD1      ILE  16  -1.844   0.174   4.658
  117   2HD1  ILE  16          2HD1      ILE  16  -3.605   0.231   4.735
  118   3HD1  ILE  16          3HD1      ILE  16  -2.727  -1.050   5.571
  119    H    ALA  17           H        ALA  17  -2.037   4.810   7.776
  120    HA   ALA  17           HA       ALA  17  -4.222   6.626   6.987
  121   1HB   ALA  17          1HB       ALA  17  -2.884   8.434   8.012
  122   2HB   ALA  17          2HB       ALA  17  -1.715   7.229   8.550
  123   3HB   ALA  17          3HB       ALA  17  -3.365   7.194   9.171
  124    H    ILE  18           H        ILE  18  -3.901   8.043   5.293
  125    HA   ILE  18           HA       ILE  18  -1.581   7.440   3.608
  126    HB   ILE  18           HB       ILE  18  -4.397   8.088   3.066
  127   1HG1  ILE  18          2HG1      ILE  18  -2.342   6.799   1.277
  128   2HG1  ILE  18          1HG1      ILE  18  -3.132   5.931   2.590
  129   1HG2  ILE  18          1HG2      ILE  18  -2.222   9.317   1.389
  130   2HG2  ILE  18          2HG2      ILE  18  -3.531  10.146   2.231
  131   3HG2  ILE  18          3HG2      ILE  18  -3.888   9.107   0.851
  132   1HD1  ILE  18          1HD1      ILE  18  -4.816   5.464   1.244
  133   2HD1  ILE  18          2HD1      ILE  18  -4.051   6.384  -0.053
  134   3HD1  ILE  18          3HD1      ILE  18  -5.152   7.187   1.068
  135    H    ASN  19           H        ASN  19   0.020   8.855   3.588
  136    HA   ASN  19           HA       ASN  19  -0.551  11.655   4.289
  137   1HB   ASN  19          2HB       ASN  19   2.021  10.076   4.473
  138   2HB   ASN  19          1HB       ASN  19   1.881  11.796   4.825
  139   1HD2  ASN  19          1HD2      ASN  19   2.810   9.950   6.670
  140   2HD2  ASN  19          2HD2      ASN  19   1.675   9.838   7.969
  141    H    GLU  20           H        GLU  20  -0.786  12.865   2.538
  142    HA   GLU  20           HA       GLU  20   0.995  12.383   0.246
  143   1HB   GLU  20          2HB       GLU  20  -0.781  13.805  -0.978
  144   2HB   GLU  20          1HB       GLU  20  -1.173  12.139  -0.577
  145   1HG   GLU  20          2HG       GLU  20  -2.412  12.909   1.388
  146   2HG   GLU  20          1HG       GLU  20  -2.030  14.578   0.965
  147    H    ASP  21           H        ASP  21   0.552  14.405   2.839
  148    HA   ASP  21           HA       ASP  21   0.969  16.958   1.769
  149   1HB   ASP  21          2HB       ASP  21   0.274  16.438   4.124
  150   2HB   ASP  21          1HB       ASP  21   1.937  15.961   4.451
  151    H    VAL  22           H        VAL  22   3.099  14.290   2.071
  152    HA   VAL  22           HA       VAL  22   5.443  15.985   1.821
  153    HB   VAL  22           HB       VAL  22   5.222  13.879   3.362
  154   1HG1  VAL  22          1HG1      VAL  22   6.525  12.407   1.163
  155   2HG1  VAL  22          2HG1      VAL  22   4.769  12.550   1.104
  156   3HG1  VAL  22          3HG1      VAL  22   5.546  11.815   2.506
  157   1HG2  VAL  22          1HG2      VAL  22   7.428  15.193   2.073
  158   2HG2  VAL  22          2HG2      VAL  22   7.818  13.511   2.431
  159   3HG2  VAL  22          3HG2      VAL  22   7.289  14.587   3.723
  160    H    SER  23           H        SER  23   7.063  14.175   0.396
  161    HA   SER  23           HA       SER  23   5.864  13.469  -2.086
  162   1HB   SER  23          2HB       SER  23   6.671  15.138  -3.521
  163   2HB   SER  23          1HB       SER  23   6.078  16.045  -2.131
  164    HG   SER  23           HG       SER  23   8.031  16.866  -2.248
  165    HA   PRO  24           HA       PRO  24   6.039  11.951  -3.316
  166   1HB   PRO  24          2HB       PRO  24   6.316   9.270  -3.182
  167   2HB   PRO  24          1HB       PRO  24   7.124  10.243  -4.416
  168   1HG   PRO  24          2HG       PRO  24   8.218   9.134  -1.859
  169   2HG   PRO  24          1HG       PRO  24   8.961   9.173  -3.469
  170   1HD   PRO  24          2HD       PRO  24   9.580  10.952  -1.510
  171   2HD   PRO  24          1HD       PRO  24   9.644  11.356  -3.237
  172    H    ALA  25           H        ALA  25   4.075  11.192  -2.530
  173    HA   ALA  25           HA       ALA  25   3.542  11.423   0.188
  174   1HB   ALA  25          1HB       ALA  25   1.794  11.637  -1.459
  175   2HB   ALA  25          2HB       ALA  25   1.370  10.347  -0.334
  176   3HB   ALA  25          3HB       ALA  25   1.987   9.951  -1.938
  177    H    GLU  26           H        GLU  26   2.490   9.599   1.529
  178    HA   GLU  26           HA       GLU  26   3.555   6.953   1.082
  179   1HB   GLU  26          2HB       GLU  26   4.499   8.581   3.446
  180   2HB   GLU  26          1HB       GLU  26   4.793   6.863   3.220
  181   1HG   GLU  26          2HG       GLU  26   6.013   7.406   1.128
  182   2HG   GLU  26          1HG       GLU  26   5.821   9.115   1.514
  183    H    LEU  27           H        LEU  27   2.569   5.363   2.315
  184    HA   LEU  27           HA       LEU  27   0.224   6.265   3.846
  185   1HB   LEU  27          2HB       LEU  27  -0.220   4.892   1.837
  186   2HB   LEU  27          1HB       LEU  27   0.736   3.596   2.528
  187    HG   LEU  27           HG       LEU  27  -1.656   4.663   3.989
  188   1HD1  LEU  27          1HD1      LEU  27  -2.586   4.145   1.876
  189   2HD1  LEU  27          2HD1      LEU  27  -2.915   2.760   2.917
  190   3HD1  LEU  27          3HD1      LEU  27  -1.615   2.680   1.728
  191   1HD2  LEU  27          1HD2      LEU  27  -0.475   3.242   5.374
  192   2HD2  LEU  27          2HD2      LEU  27   0.034   2.199   4.045
  193   3HD2  LEU  27          3HD2      LEU  27  -1.631   2.143   4.622
  194    H    THR  28           H        THR  28   0.505   6.186   5.984
  195    HA   THR  28           HA       THR  28   2.500   4.498   7.167
  196    HB   THR  28           HB       THR  28   0.726   6.030   8.909
  197    HG1  THR  28           HG1      THR  28   0.569   7.640   7.566
  198   1HG2  THR  28          1HG2      THR  28   2.937   5.207   9.586
  199   2HG2  THR  28          2HG2      THR  28   2.776   6.956   9.740
  200   3HG2  THR  28          3HG2      THR  28   3.661   6.268   8.381
  201    H    TRP  29           H        TRP  29   2.118   2.927   8.716
  202    HA   TRP  29           HA       TRP  29  -0.644   2.048   9.116
  203   1HB   TRP  29          2HB       TRP  29   0.350   0.578   7.426
  204   2HB   TRP  29          1HB       TRP  29   1.719   0.262   8.490
  205    HD1  TRP  29           HD1      TRP  29  -2.099   0.093   9.093
  206    HE1  TRP  29           HE1      TRP  29  -2.649  -2.195  10.153
  207    HE3  TRP  29           HE3      TRP  29   2.605  -1.903   9.197
  208    HZ2  TRP  29           HZ2      TRP  29  -1.266  -4.507  10.927
  209    HZ3  TRP  29           HZ3      TRP  29   2.900  -4.167  10.122
  210    HH2  TRP  29           HH2      TRP  29   0.994  -5.447  10.966
  211    H    ARG  30           H        ARG  30  -0.991   2.340  11.222
  212    HA   ARG  30           HA       ARG  30   1.202   1.727  13.090
  213   1HB   ARG  30          2HB       ARG  30   0.176   4.000  13.218
  214   2HB   ARG  30          1HB       ARG  30  -1.359   3.250  13.630
  215   1HG   ARG  30          2HG       ARG  30  -0.400   2.349  15.668
  216   2HG   ARG  30          1HG       ARG  30   1.173   3.030  15.246
  217   1HD   ARG  30          2HD       ARG  30   0.152   4.497  16.823
  218   2HD   ARG  30          1HD       ARG  30   0.105   5.289  15.248
  219    HE   ARG  30           HE       ARG  30  -2.284   3.826  15.768
  220   1HH1  ARG  30          1HH1      ARG  30  -0.628   6.812  16.490
  221   2HH1  ARG  30          2HH1      ARG  30  -2.086   7.690  16.807
  222   1HH2  ARG  30          1HH2      ARG  30  -4.204   4.981  16.184
  223   2HH2  ARG  30          2HH2      ARG  30  -4.117   6.650  16.634
  224    H    SER  31           H        SER  31   1.069  -0.063  14.335
  225    HA   SER  31           HA       SER  31  -0.950  -1.958  13.966
  226   1HB   SER  31          2HB       SER  31   0.085  -3.153  15.866
  227   2HB   SER  31          1HB       SER  31   1.293  -2.575  14.718
  228    HG   SER  31           HG       SER  31   1.629  -2.200  17.090
  229    H    THR  32           H        THR  32  -2.382  -2.853  15.620
  230    HA   THR  32           HA       THR  32  -4.147  -0.951  16.641
  231    HB   THR  32           HB       THR  32  -3.747  -3.879  16.790
  232    HG1  THR  32           HG1      THR  32  -5.880  -2.150  16.117
  233   1HG2  THR  32          1HG2      THR  32  -5.576  -2.450  18.679
  234   2HG2  THR  32          2HG2      THR  32  -4.243  -3.531  19.076
  235   3HG2  THR  32          3HG2      THR  32  -5.683  -4.164  18.280
  236    H    ASP  33           H        ASP  33  -1.419  -2.607  17.970
  237    HA   ASP  33           HA       ASP  33  -1.897  -1.987  20.696
  238   1HB   ASP  33          2HB       ASP  33  -0.407  -3.835  19.867
  239   2HB   ASP  33          1HB       ASP  33   0.768  -2.601  19.422
  240    H    GLY  34           H        GLY  34  -0.261  -0.381  18.087
  241   1HA   GLY  34          2HA       GLY  34   0.226   1.887  17.910
  242   2HA   GLY  34          1HA       GLY  34  -0.199   2.084  19.604
  243    H    ASP  35           H        ASP  35   2.011  -0.396  18.647
  244    HA   ASP  35           HA       ASP  35   4.202   1.152  19.846
  245   1HB   ASP  35          2HB       ASP  35   3.520  -0.846  21.140
  246   2HB   ASP  35          1HB       ASP  35   3.889  -1.854  19.744
  247    H    LYS  36           H        LYS  36   3.122  -0.479  17.034
  248    HA   LYS  36           HA       LYS  36   5.785  -0.131  15.827
  249   1HB   LYS  36          2HB       LYS  36   4.005  -2.469  15.848
  250   2HB   LYS  36          1HB       LYS  36   4.610  -2.040  14.253
  251   1HG   LYS  36          2HG       LYS  36   6.903  -2.135  15.108
  252   2HG   LYS  36          1HG       LYS  36   6.284  -2.596  16.694
  253   1HD   LYS  36          2HD       LYS  36   5.271  -4.605  15.688
  254   2HD   LYS  36          1HD       LYS  36   5.955  -4.148  14.126
  255   1HE   LYS  36          2HE       LYS  36   7.348  -5.821  15.192
  256   2HE   LYS  36          1HE       LYS  36   8.210  -4.286  15.090
  257   1HZ   LYS  36          1HZ       LYS  36   7.858  -3.884  17.374
  258   2HZ   LYS  36          2HZ       LYS  36   8.389  -5.487  17.264
  259   3HZ   LYS  36          3HZ       LYS  36   6.749  -5.154  17.518
  260    H    VAL  37           H        VAL  37   5.873   1.042  14.012
  261    HA   VAL  37           HA       VAL  37   3.354   1.638  12.612
  262    HB   VAL  37           HB       VAL  37   5.515   3.679  13.140
  263   1HG1  VAL  37          1HG1      VAL  37   2.740   3.926  11.986
  264   2HG1  VAL  37          2HG1      VAL  37   4.260   4.088  11.106
  265   3HG1  VAL  37          3HG1      VAL  37   3.823   5.274  12.337
  266   1HG2  VAL  37          1HG2      VAL  37   3.151   2.883  14.719
  267   2HG2  VAL  37          2HG2      VAL  37   3.399   4.616  14.503
  268   3HG2  VAL  37          3HG2      VAL  37   4.664   3.628  15.234
  269    H    HIS  38           H        HIS  38   3.467   1.125  10.540
  270    HA   HIS  38           HA       HIS  38   6.121   0.992   9.266
  271   1HB   HIS  38          2HB       HIS  38   4.932  -1.146   9.321
  272   2HB   HIS  38          1HB       HIS  38   3.578  -0.414   8.476
  273    HD1  HIS  38           HD1      HIS  38   6.428  -2.427   7.836
  274    HD2  HIS  38           HD2      HIS  38   4.551   0.689   5.827
  275    HE1  HIS  38           HE1      HIS  38   7.198  -2.605   5.448
  276    HE2  HIS  38           HE2      HIS  38   6.119  -0.658   4.271
  277    H    THR  39           H        THR  39   6.496   1.949   7.348
  278    HA   THR  39           HA       THR  39   4.412   3.801   6.386
  279    HB   THR  39           HB       THR  39   7.381   4.177   6.026
  280    HG1  THR  39           HG1      THR  39   5.700   5.095   8.109
  281   1HG2  THR  39          1HG2      THR  39   6.001   5.509   4.535
  282   2HG2  THR  39          2HG2      THR  39   6.810   6.521   5.732
  283   3HG2  THR  39          3HG2      THR  39   5.099   6.132   5.917
  284    H    VAL  40           H        VAL  40   3.870   3.797   4.275
  285    HA   VAL  40           HA       VAL  40   5.339   1.950   2.507
  286    HB   VAL  40           HB       VAL  40   2.391   2.583   2.365
  287   1HG1  VAL  40          1HG1      VAL  40   2.230   0.971   0.683
  288   2HG1  VAL  40          2HG1      VAL  40   3.816   0.296   1.051
  289   3HG1  VAL  40          3HG1      VAL  40   3.689   1.874   0.276
  290   1HG2  VAL  40          1HG2      VAL  40   1.908   0.559   3.438
  291   2HG2  VAL  40          2HG2      VAL  40   3.186   1.282   4.414
  292   3HG2  VAL  40          3HG2      VAL  40   3.567  -0.020   3.287
  293    H    VAL  41           H        VAL  41   5.789   2.600   0.439
  294    HA   VAL  41           HA       VAL  41   5.505   5.454  -0.087
  295    HB   VAL  41           HB       VAL  41   6.976   3.440  -1.783
  296   1HG1  VAL  41          1HG1      VAL  41   6.704   5.426  -2.993
  297   2HG1  VAL  41          2HG1      VAL  41   8.319   5.555  -2.298
  298   3HG1  VAL  41          3HG1      VAL  41   6.974   6.434  -1.571
  299   1HG2  VAL  41          1HG2      VAL  41   8.972   4.608  -0.468
  300   2HG2  VAL  41          2HG2      VAL  41   8.190   3.140   0.119
  301   3HG2  VAL  41          3HG2      VAL  41   7.737   4.708   0.788
  302    H    LEU  42           H        LEU  42   3.958   6.233  -1.354
  303    HA   LEU  42           HA       LEU  42   2.310   4.406  -2.893
  304   1HB   LEU  42          2HB       LEU  42   1.988   7.388  -2.599
  305   2HB   LEU  42          1HB       LEU  42   0.778   6.233  -3.126
  306    HG   LEU  42           HG       LEU  42   1.902   6.549  -0.345
  307   1HD1  LEU  42          1HD1      LEU  42  -0.990   6.564  -0.845
  308   2HD1  LEU  42          2HD1      LEU  42  -0.105   7.924  -1.536
  309   3HD1  LEU  42          3HD1      LEU  42  -0.009   7.595   0.195
  310   1HD2  LEU  42          1HD2      LEU  42   0.643   4.247  -1.637
  311   2HD2  LEU  42          2HD2      LEU  42  -0.156   4.756  -0.150
  312   3HD2  LEU  42          3HD2      LEU  42   1.559   4.347  -0.132
  313    H    SER  43           H        SER  43   5.010   6.353  -3.486
  314    HA   SER  43           HA       SER  43   4.342   7.062  -6.197
  315   1HB   SER  43          2HB       SER  43   6.696   7.852  -6.308
  316   2HB   SER  43          1HB       SER  43   5.822   8.522  -4.930
  317    HG   SER  43           HG       SER  43   7.107   7.486  -3.614
  318    H    THR  44           H        THR  44   5.964   4.457  -4.554
  319    HA   THR  44           HA       THR  44   7.175   3.410  -6.943
  320    HB   THR  44           HB       THR  44   8.220   3.085  -4.736
  321    HG1  THR  44           HG1      THR  44   7.382   0.644  -5.906
  322   1HG2  THR  44          1HG2      THR  44   6.109   2.773  -3.448
  323   2HG2  THR  44          2HG2      THR  44   7.368   1.587  -3.108
  324   3HG2  THR  44          3HG2      THR  44   6.002   1.152  -4.135
  325    H    ILE  45           H        ILE  45   4.165   3.100  -5.313
  326    HA   ILE  45           HA       ILE  45   3.335   0.564  -6.146
  327    HB   ILE  45           HB       ILE  45   1.565   2.990  -5.834
  328   1HG1  ILE  45          2HG1      ILE  45   2.915   2.767  -3.840
  329   2HG1  ILE  45          1HG1      ILE  45   1.285   2.204  -3.484
  330   1HG2  ILE  45          1HG2      ILE  45   0.858   0.120  -5.304
  331   2HG2  ILE  45          2HG2      ILE  45   0.656   0.859  -6.892
  332   3HG2  ILE  45          3HG2      ILE  45  -0.220   1.501  -5.504
  333   1HD1  ILE  45          1HD1      ILE  45   2.548   0.581  -2.488
  334   2HD1  ILE  45          2HD1      ILE  45   3.817   0.664  -3.709
  335   3HD1  ILE  45          3HD1      ILE  45   2.289  -0.133  -4.078
  336    H    ASP  46           H        ASP  46   3.922   0.145  -8.259
  337    HA   ASP  46           HA       ASP  46   3.463   1.802 -10.463
  338   1HB   ASP  46          2HB       ASP  46   4.929  -0.236 -10.431
  339   2HB   ASP  46          1HB       ASP  46   3.472  -1.223 -10.476
  340    H    LYS  47           H        LYS  47   1.371  -0.434  -8.771
  341    HA   LYS  47           HA       LYS  47  -0.952   0.705 -10.016
  342   1HB   LYS  47          2HB       LYS  47  -0.135  -2.129 -10.650
  343   2HB   LYS  47          1HB       LYS  47  -1.797  -1.574 -10.789
  344   1HG   LYS  47          2HG       LYS  47  -0.921   0.225 -12.340
  345   2HG   LYS  47          1HG       LYS  47   0.597  -0.673 -12.358
  346   1HD   LYS  47          2HD       LYS  47  -2.078  -1.858 -13.085
  347   2HD   LYS  47          1HD       LYS  47  -0.934  -1.204 -14.258
  348   1HE   LYS  47          2HE       LYS  47   0.477  -2.963 -14.064
  349   2HE   LYS  47          1HE       LYS  47   0.144  -3.177 -12.345
  350   1HZ   LYS  47          1HZ       LYS  47  -1.931  -4.242 -12.889
  351   2HZ   LYS  47          2HZ       LYS  47  -0.673  -5.027 -13.702
  352   3HZ   LYS  47          3HZ       LYS  47  -1.692  -3.970 -14.541
  353    H    LEU  48           H        LEU  48  -2.980  -0.494  -9.228
  354    HA   LEU  48           HA       LEU  48  -2.518  -1.509  -6.501
  355   1HB   LEU  48          2HB       LEU  48  -4.508  -0.356  -5.753
  356   2HB   LEU  48          1HB       LEU  48  -3.378   0.788  -6.452
  357    HG   LEU  48           HG       LEU  48  -5.384  -0.246  -8.339
  358   1HD1  LEU  48          1HD1      LEU  48  -6.417   1.811  -6.471
  359   2HD1  LEU  48          2HD1      LEU  48  -6.468   0.127  -5.951
  360   3HD1  LEU  48          3HD1      LEU  48  -7.283   0.618  -7.437
  361   1HD2  LEU  48          1HD2      LEU  48  -5.235   1.866  -9.244
  362   2HD2  LEU  48          2HD2      LEU  48  -3.630   1.674  -8.539
  363   3HD2  LEU  48          3HD2      LEU  48  -4.857   2.620  -7.695
  364    H    GLN  49           H        GLN  49  -3.666  -3.271  -5.875
  365    HA   GLN  49           HA       GLN  49  -5.672  -4.327  -7.752
  366   1HB   GLN  49          2HB       GLN  49  -3.290  -5.429  -7.713
  367   2HB   GLN  49          1HB       GLN  49  -3.874  -6.178  -6.234
  368   1HG   GLN  49          2HG       GLN  49  -4.469  -7.775  -7.730
  369   2HG   GLN  49          1HG       GLN  49  -5.931  -6.790  -7.761
  370   1HE2  GLN  49          1HE2      GLN  49  -6.460  -5.673  -9.584
  371   2HE2  GLN  49          2HE2      GLN  49  -5.605  -5.823 -11.078
  372    H    ALA  50           H        ALA  50  -7.551  -4.217  -6.706
  373    HA   ALA  50           HA       ALA  50  -7.615  -4.899  -3.844
  374   1HB   ALA  50          1HB       ALA  50  -9.294  -3.392  -3.521
  375   2HB   ALA  50          2HB       ALA  50  -9.938  -3.591  -5.152
  376   3HB   ALA  50          3HB       ALA  50  -8.484  -2.627  -4.888
  377    H    THR  51           H        THR  51  -9.301  -6.235  -3.048
  378    HA   THR  51           HA       THR  51  -9.908  -8.441  -4.739
  379    HB   THR  51           HB       THR  51 -11.322  -9.166  -2.746
  380    HG1  THR  51           HG1      THR  51 -11.764  -7.620  -1.415
  381   1HG2  THR  51          1HG2      THR  51  -8.412  -8.528  -2.414
  382   2HG2  THR  51          2HG2      THR  51  -9.160 -10.074  -2.816
  383   3HG2  THR  51          3HG2      THR  51  -9.344  -9.399  -1.196
  384    HA   PRO  52           HA       PRO  52 -13.742  -7.101  -6.479
  385   1HB   PRO  52          2HB       PRO  52 -14.911  -9.488  -6.993
  386   2HB   PRO  52          1HB       PRO  52 -13.538  -8.879  -7.925
  387   1HG   PRO  52          2HG       PRO  52 -13.574 -10.863  -5.684
  388   2HG   PRO  52          1HG       PRO  52 -12.677 -10.918  -7.213
  389   1HD   PRO  52          2HD       PRO  52 -11.538 -10.160  -4.870
  390   2HD   PRO  52          1HD       PRO  52 -11.027  -9.509  -6.440
  391    H    ALA  53           H        ALA  53 -16.013  -7.008  -6.097
  392    HA   ALA  53           HA       ALA  53 -16.732  -7.066  -3.359
  393   1HB   ALA  53          1HB       ALA  53 -19.113  -6.778  -4.545
  394   2HB   ALA  53          2HB       ALA  53 -18.065  -6.361  -5.900
  395   3HB   ALA  53          3HB       ALA  53 -17.950  -5.462  -4.386
  396    H    SER  54           H        SER  54 -16.699  -9.506  -5.721
  397    HA   SER  54           HA       SER  54 -18.850 -11.047  -4.516
  398   1HB   SER  54          2HB       SER  54 -18.362 -10.955  -7.024
  399   2HB   SER  54          1HB       SER  54 -16.973 -11.986  -6.680
  400    HG   SER  54           HG       SER  54 -18.281 -13.614  -6.569
  401    H    SER  55           H        SER  55 -15.734 -10.470  -3.688
  402    HA   SER  55           HA       SER  55 -15.247 -13.210  -2.744
  403   1HB   SER  55          2HB       SER  55 -13.388 -10.881  -3.224
  404   2HB   SER  55          1HB       SER  55 -12.897 -12.314  -2.323
  405    HG   SER  55           HG       SER  55 -12.486 -12.245  -4.695
  406    H    GLU  56           H        GLU  56 -15.921 -13.550  -0.747
  407    HA   GLU  56           HA       GLU  56 -16.614 -11.595   1.111
  408   1HB   GLU  56          2HB       GLU  56 -17.342 -13.976   1.182
  409   2HB   GLU  56          1HB       GLU  56 -15.724 -14.420   1.707
  410   1HG   GLU  56          2HG       GLU  56 -17.105 -14.346   3.630
  411   2HG   GLU  56          1HG       GLU  56 -16.046 -12.939   3.688
  412    H    LYS  57           H        LYS  57 -13.536 -12.770   0.205
  413    HA   LYS  57           HA       LYS  57 -12.247 -11.922   2.673
  414   1HB   LYS  57          2HB       LYS  57 -11.133 -13.091   0.118
  415   2HB   LYS  57          1HB       LYS  57 -10.158 -12.665   1.518
  416   1HG   LYS  57          2HG       LYS  57 -11.472 -14.273   2.867
  417   2HG   LYS  57          1HG       LYS  57 -12.322 -14.752   1.398
  418   1HD   LYS  57          2HD       LYS  57 -10.146 -15.379   0.394
  419   2HD   LYS  57          1HD       LYS  57  -9.361 -14.993   1.926
  420   1HE   LYS  57          2HE       LYS  57  -9.676 -17.178   2.362
  421   2HE   LYS  57          1HE       LYS  57 -11.314 -16.667   2.768
  422   1HZ   LYS  57          1HZ       LYS  57 -12.136 -17.431   0.760
  423   2HZ   LYS  57          2HZ       LYS  57 -10.998 -18.617   1.157
  424   3HZ   LYS  57          3HZ       LYS  57 -10.622 -17.436   0.006
  425    H    MET  58           H        MET  58 -12.364  -9.727   2.807
  426    HA   MET  58           HA       MET  58 -11.769  -8.049   0.536
  427   1HB   MET  58          2HB       MET  58 -12.120  -6.186   2.110
  428   2HB   MET  58          1HB       MET  58 -13.455  -7.329   2.133
  429   1HG   MET  58          2HG       MET  58 -11.866  -8.310   4.110
  430   2HG   MET  58          1HG       MET  58 -11.578  -6.575   4.243
  431   1HE   MET  58          1HE       MET  58 -15.159  -9.032   5.328
  432   2HE   MET  58          2HE       MET  58 -13.817  -9.465   4.267
  433   3HE   MET  58          3HE       MET  58 -15.242  -8.661   3.605
  434    H    MET  59           H        MET  59  -9.746  -7.766  -0.113
  435    HA   MET  59           HA       MET  59  -7.711  -7.050   1.846
  436   1HB   MET  59          2HB       MET  59  -7.299  -9.264  -0.172
  437   2HB   MET  59          1HB       MET  59  -6.078  -8.627   0.919
  438   1HG   MET  59          2HG       MET  59  -7.363  -9.417   2.833
  439   2HG   MET  59          1HG       MET  59  -8.602 -10.040   1.747
  440   1HE   MET  59          1HE       MET  59  -8.128 -11.736   3.549
  441   2HE   MET  59          2HE       MET  59  -6.699 -12.762   3.666
  442   3HE   MET  59          3HE       MET  59  -7.993 -13.175   2.538
  443    H    LEU  60           H        LEU  60  -6.102  -5.720   1.040
  444    HA   LEU  60           HA       LEU  60  -6.472  -4.847  -1.752
  445   1HB   LEU  60          2HB       LEU  60  -6.971  -3.274   0.283
  446   2HB   LEU  60          1HB       LEU  60  -5.226  -3.107   0.340
  447    HG   LEU  60           HG       LEU  60  -6.092  -1.266  -0.905
  448   1HD1  LEU  60          1HD1      LEU  60  -5.066  -3.210  -2.958
  449   2HD1  LEU  60          2HD1      LEU  60  -4.035  -2.442  -1.750
  450   3HD1  LEU  60          3HD1      LEU  60  -4.889  -1.455  -2.935
  451   1HD2  LEU  60          1HD2      LEU  60  -7.547  -3.327  -2.556
  452   2HD2  LEU  60          2HD2      LEU  60  -7.433  -1.614  -2.960
  453   3HD2  LEU  60          3HD2      LEU  60  -8.265  -2.119  -1.490
  454    H    ARG  61           H        ARG  61  -4.832  -5.252  -3.068
  455    HA   ARG  61           HA       ARG  61  -2.152  -5.652  -1.908
  456   1HB   ARG  61          2HB       ARG  61  -3.090  -7.687  -2.904
  457   2HB   ARG  61          1HB       ARG  61  -3.339  -6.838  -4.423
  458   1HG   ARG  61          2HG       ARG  61  -0.881  -6.491  -4.563
  459   2HG   ARG  61          1HG       ARG  61  -0.706  -7.501  -3.125
  460   1HD   ARG  61          2HD       ARG  61  -1.991  -8.366  -5.715
  461   2HD   ARG  61          1HD       ARG  61  -0.342  -8.750  -5.224
  462    HE   ARG  61           HE       ARG  61  -1.893  -9.650  -3.167
  463   1HH1  ARG  61          1HH1      ARG  61  -1.802 -10.224  -6.608
  464   2HH1  ARG  61          2HH1      ARG  61  -2.404 -11.844  -6.479
  465   1HH2  ARG  61          1HH2      ARG  61  -2.683 -11.779  -2.996
  466   2HH2  ARG  61          2HH2      ARG  61  -2.903 -12.726  -4.429
  467    H    LEU  62           H        LEU  62  -0.483  -4.471  -2.647
  468    HA   LEU  62           HA       LEU  62  -0.964  -2.746  -4.986
  469   1HB   LEU  62          2HB       LEU  62  -0.315  -2.023  -2.257
  470   2HB   LEU  62          1HB       LEU  62   0.894  -1.422  -3.375
  471    HG   LEU  62           HG       LEU  62  -0.975  -0.390  -4.705
  472   1HD1  LEU  62          1HD1      LEU  62  -2.608  -0.960  -2.240
  473   2HD1  LEU  62          2HD1      LEU  62  -2.753  -1.853  -3.754
  474   3HD1  LEU  62          3HD1      LEU  62  -3.132  -0.131  -3.706
  475   1HD2  LEU  62          1HD2      LEU  62  -0.706   1.536  -3.569
  476   2HD2  LEU  62          2HD2      LEU  62   0.437   0.585  -2.620
  477   3HD2  LEU  62          3HD2      LEU  62  -1.209   0.825  -2.035
  478    H    ILE  63           H        ILE  63   0.508  -2.866  -6.538
  479    HA   ILE  63           HA       ILE  63   2.957  -4.393  -6.010
  480    HB   ILE  63           HB       ILE  63   1.848  -3.636  -8.708
  481   1HG1  ILE  63          2HG1      ILE  63   1.139  -6.148  -8.638
  482   2HG1  ILE  63          1HG1      ILE  63   1.207  -5.937  -6.892
  483   1HG2  ILE  63          1HG2      ILE  63   3.330  -5.215  -9.599
  484   2HG2  ILE  63          2HG2      ILE  63   3.625  -5.956  -8.027
  485   3HG2  ILE  63          3HG2      ILE  63   4.278  -4.358  -8.385
  486   1HD1  ILE  63          1HD1      ILE  63  -0.590  -4.525  -6.855
  487   2HD1  ILE  63          2HD1      ILE  63  -1.024  -5.595  -8.189
  488   3HD1  ILE  63          3HD1      ILE  63  -0.351  -3.997  -8.520
  489    H    GLY  64           H        GLY  64   4.946  -3.531  -6.222
  490   1HA   GLY  64          2HA       GLY  64   5.106  -0.653  -6.665
  491   2HA   GLY  64          1HA       GLY  64   6.373  -1.675  -6.006
  492    H    LYS  65           H        LYS  65   6.968   0.213  -7.898
  493    HA   LYS  65           HA       LYS  65   6.979  -0.914 -10.534
  494   1HB   LYS  65          2HB       LYS  65   7.962   1.564  -9.246
  495   2HB   LYS  65          1HB       LYS  65   8.829   1.045 -10.685
  496   1HG   LYS  65          2HG       LYS  65   6.762   1.051 -11.957
  497   2HG   LYS  65          1HG       LYS  65   5.862   1.519 -10.512
  498   1HD   LYS  65          2HD       LYS  65   7.172   3.597 -10.391
  499   2HD   LYS  65          1HD       LYS  65   8.027   3.130 -11.862
  500   1HE   LYS  65          2HE       LYS  65   5.620   2.941 -12.854
  501   2HE   LYS  65          1HE       LYS  65   5.188   3.989 -11.504
  502   1HZ   LYS  65          1HZ       LYS  65   5.699   5.550 -13.050
  503   2HZ   LYS  65          2HZ       LYS  65   6.812   4.569 -13.863
  504   3HZ   LYS  65          3HZ       LYS  65   7.252   5.325 -12.415
  505    H    VAL  66           H        VAL  66   9.350  -0.657 -11.621
  506    HA   VAL  66           HA       VAL  66  10.975  -2.655 -10.218
  507    HB   VAL  66           HB       VAL  66  11.221  -1.745 -13.087
  508   1HG1  VAL  66          1HG1      VAL  66  13.198  -2.790 -12.829
  509   2HG1  VAL  66          2HG1      VAL  66  12.225  -4.253 -12.987
  510   3HG1  VAL  66          3HG1      VAL  66  12.669  -3.658 -11.387
  511   1HG2  VAL  66          1HG2      VAL  66  10.139  -4.417 -12.546
  512   2HG2  VAL  66          2HG2      VAL  66   9.651  -3.214 -13.739
  513   3HG2  VAL  66          3HG2      VAL  66   9.080  -3.087 -12.075
  514    H    ASP  67           H        ASP  67  12.907  -2.178  -9.382
  515    HA   ASP  67           HA       ASP  67  13.827   0.516  -9.318
  516   1HB   ASP  67          2HB       ASP  67  15.106  -2.056  -8.374
  517   2HB   ASP  67          1HB       ASP  67  15.768  -0.453  -8.067
  518    H    GLU  68           H        GLU  68  15.399   1.515 -10.453
  519    HA   GLU  68           HA       GLU  68  17.113  -0.065 -12.217
  520   1HB   GLU  68          2HB       GLU  68  15.415   2.259 -13.147
  521   2HB   GLU  68          1HB       GLU  68  16.664   1.476 -14.106
  522   1HG   GLU  68          2HG       GLU  68  15.404  -0.633 -13.981
  523   2HG   GLU  68          1HG       GLU  68  14.133   0.204 -13.090
  524    H    SER  69           H        SER  69  17.750   1.222  -9.801
  525    HA   SER  69           HA       SER  69  19.188   3.639 -10.606
  526   1HB   SER  69          2HB       SER  69  17.764   3.581  -8.504
  527   2HB   SER  69          1HB       SER  69  18.979   2.504  -7.817
  528    HG   SER  69           HG       SER  69  20.514   4.243  -8.387
  529    H    LYS  70           H        LYS  70  19.683   0.334  -9.765
  530    HA   LYS  70           HA       LYS  70  22.559   0.699  -9.427
  531   1HB   LYS  70          2HB       LYS  70  20.807  -1.752  -9.184
  532   2HB   LYS  70          1HB       LYS  70  22.548  -1.749  -8.936
  533   1HG   LYS  70          2HG       LYS  70  22.285  -0.192  -7.076
  534   2HG   LYS  70          1HG       LYS  70  20.538  -0.187  -7.327
  535   1HD   LYS  70          2HD       LYS  70  20.969  -1.702  -5.549
  536   2HD   LYS  70          1HD       LYS  70  20.593  -2.681  -6.968
  537   1HE   LYS  70          2HE       LYS  70  22.719  -3.473  -7.157
  538   2HE   LYS  70          1HE       LYS  70  23.440  -2.009  -6.488
  539   1HZ   LYS  70          1HZ       LYS  70  22.156  -2.924  -4.357
  540   2HZ   LYS  70          2HZ       LYS  70  23.751  -3.351  -4.724
  541   3HZ   LYS  70          3HZ       LYS  70  22.485  -4.394  -5.129
  542    H    LYS  71           H        LYS  71  20.244  -0.388 -11.771
  543    HA   LYS  71           HA       LYS  71  20.437  -1.053 -13.936
  544   1HB   LYS  71          2HB       LYS  71  23.239   0.041 -13.632
  545   2HB   LYS  71          1HB       LYS  71  22.491  -0.399 -15.161
  546   1HG   LYS  71          2HG       LYS  71  21.511   1.579 -15.320
  547   2HG   LYS  71          1HG       LYS  71  20.788   1.406 -13.720
  548   1HD   LYS  71          2HD       LYS  71  22.189   3.393 -13.811
  549   2HD   LYS  71          1HD       LYS  71  22.878   2.203 -12.703
  550   1HE   LYS  71          2HE       LYS  71  24.636   1.716 -14.106
  551   2HE   LYS  71          1HE       LYS  71  23.758   2.211 -15.552
  552   1HZ   LYS  71          1HZ       LYS  71  24.373   4.269 -13.569
  553   2HZ   LYS  71          2HZ       LYS  71  24.306   4.380 -15.255
  554   3HZ   LYS  71          3HZ       LYS  71  25.655   3.685 -14.507
  555    H    ARG  72           H        ARG  72  20.779  -3.016 -12.002
  556    HA   ARG  72           HA       ARG  72  23.082  -4.612 -12.433
  557   1HB   ARG  72          2HB       ARG  72  20.360  -5.335 -11.338
  558   2HB   ARG  72          1HB       ARG  72  21.762  -6.395 -11.299
  559   1HG   ARG  72          2HG       ARG  72  22.952  -4.751  -9.920
  560   2HG   ARG  72          1HG       ARG  72  21.519  -3.719  -9.938
  561   1HD   ARG  72          2HD       ARG  72  21.494  -4.925  -7.887
  562   2HD   ARG  72          1HD       ARG  72  20.247  -5.622  -8.921
  563    HE   ARG  72           HE       ARG  72  22.514  -7.125  -9.356
  564   1HH1  ARG  72          1HH1      ARG  72  20.488  -6.336  -6.626
  565   2HH1  ARG  72          2HH1      ARG  72  20.800  -7.828  -5.804
  566   1HH2  ARG  72          1HH2      ARG  72  22.925  -9.088  -8.276
  567   2HH2  ARG  72          2HH2      ARG  72  22.185  -9.390  -6.740
  568    H    LYS  73           H        LYS  73  23.491  -6.218 -13.855
  569    HA   LYS  73           HA       LYS  73  21.340  -7.037 -15.682
  570   1HB   LYS  73          2HB       LYS  73  24.147  -6.251 -16.488
  571   2HB   LYS  73          1HB       LYS  73  22.955  -6.971 -17.562
  572   1HG   LYS  73          2HG       LYS  73  21.480  -5.018 -17.147
  573   2HG   LYS  73          1HG       LYS  73  22.787  -4.286 -16.214
  574   1HD   LYS  73          2HD       LYS  73  24.236  -4.425 -18.219
  575   2HD   LYS  73          1HD       LYS  73  22.860  -5.045 -19.135
  576   1HE   LYS  73          2HE       LYS  73  21.838  -2.778 -17.976
  577   2HE   LYS  73          1HE       LYS  73  23.503  -2.312 -18.324
  578   1HZ   LYS  73          1HZ       LYS  73  23.160  -3.020 -20.625
  579   2HZ   LYS  73          2HZ       LYS  73  22.076  -1.798 -20.182
  580   3HZ   LYS  73          3HZ       LYS  73  21.548  -3.402 -20.277
  581    H    ASP  74           H        ASP  74  21.704  -9.089 -16.737
  582    HA   ASP  74           HA       ASP  74  23.523 -10.830 -15.207
  583   1HB   ASP  74          2HB       ASP  74  20.853 -11.491 -16.463
  584   2HB   ASP  74          1HB       ASP  74  21.921 -12.668 -15.708
  585    H    ASN  75           H        ASN  75  24.577 -12.523 -16.327
  586    HA   ASN  75           HA       ASN  75  25.159 -11.852 -19.092
  587   1HB   ASN  75          2HB       ASN  75  26.410 -13.868 -17.220
  588   2HB   ASN  75          1HB       ASN  75  26.971 -13.537 -18.856
  589   1HD2  ASN  75          1HD2      ASN  75  28.565 -13.270 -16.585
  590   2HD2  ASN  75          2HD2      ASN  75  28.966 -11.602 -16.387
  591    H    GLU  76           H        GLU  76  22.865 -13.698 -17.658
  592    HA   GLU  76           HA       GLU  76  23.019 -15.912 -19.555
  593   1HB   GLU  76          2HB       GLU  76  22.499 -16.232 -17.080
  594   2HB   GLU  76          1HB       GLU  76  20.932 -15.509 -17.417
  595   1HG   GLU  76          2HG       GLU  76  20.511 -17.290 -19.077
  596   2HG   GLU  76          1HG       GLU  76  22.040 -18.037 -18.620
  597    H    GLY  77           H        GLY  77  22.510 -13.361 -20.646
  598   1HA   GLY  77          2HA       GLY  77  21.081 -12.284 -22.083
  599   2HA   GLY  77          1HA       GLY  77  20.402 -13.878 -22.371
  600    H    ASN  78           H        ASN  78  20.370 -12.143 -19.302
  601    HA   ASN  78           HA       ASN  78  17.483 -12.409 -19.207
  602   1HB   ASN  78          2HB       ASN  78  19.262 -12.739 -17.273
  603   2HB   ASN  78          1HB       ASN  78  19.030 -11.005 -17.072
  604   1HD2  ASN  78          1HD2      ASN  78  18.369 -13.022 -15.189
  605   2HD2  ASN  78          2HD2      ASN  78  16.660 -12.965 -14.943
  606    H    GLU  79           H        GLU  79  16.719 -10.936 -20.714
  607    HA   GLU  79           HA       GLU  79  17.392  -8.112 -20.298
  608   1HB   GLU  79          2HB       GLU  79  17.499  -9.228 -22.601
  609   2HB   GLU  79          1HB       GLU  79  15.741  -9.232 -22.555
  610   1HG   GLU  79          2HG       GLU  79  15.777  -6.780 -22.287
  611   2HG   GLU  79          1HG       GLU  79  17.533  -6.817 -22.435
  612    H    VAL  80           H        VAL  80  15.626  -9.666 -18.521
  613    HA   VAL  80           HA       VAL  80  13.219  -7.994 -18.798
  614    HB   VAL  80           HB       VAL  80  11.876  -9.828 -17.826
  615   1HG1  VAL  80          1HG1      VAL  80  11.875  -9.509 -20.226
  616   2HG1  VAL  80          2HG1      VAL  80  11.802 -11.231 -19.849
  617   3HG1  VAL  80          3HG1      VAL  80  13.321 -10.510 -20.385
  618   1HG2  VAL  80          1HG2      VAL  80  14.191 -11.659 -18.387
  619   2HG2  VAL  80          2HG2      VAL  80  12.704 -12.002 -17.503
  620   3HG2  VAL  80          3HG2      VAL  80  13.927 -10.945 -16.796
  621    H    VAL  81           H        VAL  81  12.089  -7.586 -16.767
  622    HA   VAL  81           HA       VAL  81  13.844  -6.763 -14.722
  623    HB   VAL  81           HB       VAL  81  11.799  -6.281 -13.410
  624   1HG1  VAL  81          1HG1      VAL  81  12.633  -4.661 -15.034
  625   2HG1  VAL  81          2HG1      VAL  81  10.872  -4.616 -14.938
  626   3HG1  VAL  81          3HG1      VAL  81  11.660  -5.418 -16.297
  627   1HG2  VAL  81          1HG2      VAL  81  10.659  -8.350 -14.696
  628   2HG2  VAL  81          2HG2      VAL  81  10.024  -7.010 -15.650
  629   3HG2  VAL  81          3HG2      VAL  81   9.740  -7.067 -13.911
  630    HA   PRO  82           HA       PRO  82  14.429 -10.384 -12.269
  631   1HB   PRO  82          2HB       PRO  82  14.454  -9.215  -9.763
  632   2HB   PRO  82          1HB       PRO  82  15.837  -9.291 -10.857
  633   1HG   PRO  82          2HG       PRO  82  13.934  -7.045 -10.358
  634   2HG   PRO  82          1HG       PRO  82  15.686  -6.996 -10.633
  635   1HD   PRO  82          2HD       PRO  82  13.926  -6.349 -12.562
  636   2HD   PRO  82          1HD       PRO  82  15.459  -7.169 -12.927
  637    H    LYS  83           H        LYS  83  12.444  -8.274 -10.205
  638    HA   LYS  83           HA       LYS  83  10.004  -9.594 -10.556
  639   1HB   LYS  83          2HB       LYS  83  11.890 -10.929  -8.769
  640   2HB   LYS  83          1HB       LYS  83  10.359 -10.560  -7.987
  641   1HG   LYS  83          2HG       LYS  83  10.166 -11.766 -10.666
  642   2HG   LYS  83          1HG       LYS  83  10.824 -12.800  -9.395
  643   1HD   LYS  83          2HD       LYS  83   8.868 -12.511  -8.052
  644   2HD   LYS  83          1HD       LYS  83   8.245 -11.261  -9.132
  645   1HE   LYS  83          2HE       LYS  83   8.789 -14.041 -10.117
  646   2HE   LYS  83          1HE       LYS  83   7.273 -13.640  -9.311
  647   1HZ   LYS  83          1HZ       LYS  83   8.240 -12.860 -11.942
  648   2HZ   LYS  83          2HZ       LYS  83   7.388 -11.680 -11.082
  649   3HZ   LYS  83          3HZ       LYS  83   6.663 -13.171 -11.416
  650    HA   PRO  84           HA       PRO  84   9.649  -5.488  -8.540
  651   1HB   PRO  84          2HB       PRO  84   6.832  -6.131  -9.289
  652   2HB   PRO  84          1HB       PRO  84   7.735  -4.625  -9.494
  653   1HG   PRO  84          2HG       PRO  84   7.292  -6.230 -11.570
  654   2HG   PRO  84          1HG       PRO  84   8.844  -5.392 -11.382
  655   1HD   PRO  84          2HD       PRO  84   8.164  -8.257 -10.909
  656   2HD   PRO  84          1HD       PRO  84   9.667  -7.538 -11.521
  657    H    GLN  85           H        GLN  85   8.821  -4.863  -6.554
  658    HA   GLN  85           HA       GLN  85   7.878  -7.057  -4.867
  659   1HB   GLN  85          2HB       GLN  85   8.489  -5.641  -2.983
  660   2HB   GLN  85          1HB       GLN  85   9.832  -5.765  -4.110
  661   1HG   GLN  85          2HG       GLN  85   9.293  -3.573  -5.016
  662   2HG   GLN  85          1HG       GLN  85   7.922  -3.447  -3.914
  663   1HE2  GLN  85          1HE2      GLN  85   9.687  -1.469  -3.832
  664   2HE2  GLN  85          2HE2      GLN  85  10.672  -1.556  -2.415
  665    H    ARG  86           H        ARG  86   5.948  -7.057  -3.813
  666    HA   ARG  86           HA       ARG  86   4.189  -4.730  -4.167
  667   1HB   ARG  86          2HB       ARG  86   2.314  -6.184  -4.709
  668   2HB   ARG  86          1HB       ARG  86   3.616  -6.415  -5.868
  669   1HG   ARG  86          2HG       ARG  86   4.317  -8.419  -4.527
  670   2HG   ARG  86          1HG       ARG  86   2.823  -8.231  -3.608
  671   1HD   ARG  86          2HD       ARG  86   1.551  -8.404  -5.723
  672   2HD   ARG  86          1HD       ARG  86   3.064  -8.699  -6.577
  673    HE   ARG  86           HE       ARG  86   2.965 -10.864  -5.880
  674   1HH1  ARG  86          1HH1      ARG  86   0.977  -8.943  -3.749
  675   2HH1  ARG  86          2HH1      ARG  86   0.386 -10.310  -2.866
  676   1HH2  ARG  86          1HH2      ARG  86   2.187 -12.662  -4.720
  677   2HH2  ARG  86          2HH2      ARG  86   1.072 -12.421  -3.416
  678    H    HIS  87           H        HIS  87   2.652  -4.407  -2.542
  679    HA   HIS  87           HA       HIS  87   3.188  -5.903  -0.068
  680   1HB   HIS  87          2HB       HIS  87   2.290  -3.084  -0.600
  681   2HB   HIS  87          1HB       HIS  87   1.989  -3.840   0.961
  682    HD1  HIS  87           HD1      HIS  87   3.732  -3.296   2.613
  683    HD2  HIS  87           HD2      HIS  87   5.260  -3.405  -1.249
  684    HE1  HIS  87           HE1      HIS  87   6.168  -2.716   2.839
  685    HE2  HIS  87           HE2      HIS  87   7.052  -2.703   0.479
  686    H    MET  88           H        MET  88   1.692  -7.285   0.591
  687    HA   MET  88           HA       MET  88  -1.026  -7.049  -0.483
  688   1HB   MET  88          2HB       MET  88   0.190  -9.196  -0.784
  689   2HB   MET  88          1HB       MET  88   0.260  -9.372   0.964
  690   1HG   MET  88          2HG       MET  88  -2.213  -9.369   1.018
  691   2HG   MET  88          1HG       MET  88  -2.217  -9.325  -0.744
  692   1HE   MET  88          1HE       MET  88  -1.107 -10.902   2.360
  693   2HE   MET  88          2HE       MET  88   0.035 -12.098   1.748
  694   3HE   MET  88          3HE       MET  88  -1.604 -12.585   2.177
  695    H    PHE  89           H        PHE  89  -2.533  -6.163   0.749
  696    HA   PHE  89           HA       PHE  89  -2.188  -6.232   3.672
  697   1HB   PHE  89          2HB       PHE  89  -3.571  -4.244   1.876
  698   2HB   PHE  89          1HB       PHE  89  -3.800  -4.266   3.622
  699    HD1  PHE  89           HD1      PHE  89  -1.829  -3.892   5.112
  700    HD2  PHE  89           HD2      PHE  89  -1.678  -3.250   0.909
  701    HE1  PHE  89           HE1      PHE  89   0.187  -2.508   5.399
  702    HE2  PHE  89           HE2      PHE  89   0.337  -1.867   1.187
  703    HZ   PHE  89           HZ       PHE  89   1.273  -1.495   3.434
  704    H    SER  90           H        SER  90  -4.068  -6.492   4.990
  705    HA   SER  90           HA       SER  90  -6.293  -7.871   3.633
  706   1HB   SER  90          2HB       SER  90  -4.757  -8.660   6.092
  707   2HB   SER  90          1HB       SER  90  -6.432  -9.171   5.890
  708    HG   SER  90           HG       SER  90  -5.661  -9.942   3.743
  709    H    PHE  91           H        PHE  91  -8.196  -6.927   3.958
  710    HA   PHE  91           HA       PHE  91  -8.443  -4.978   6.119
  711   1HB   PHE  91          2HB       PHE  91  -9.807  -5.385   3.492
  712   2HB   PHE  91          1HB       PHE  91 -10.656  -4.515   4.769
  713    HD1  PHE  91           HD1      PHE  91 -10.079  -2.310   5.343
  714    HD2  PHE  91           HD2      PHE  91  -7.655  -4.520   2.636
  715    HE1  PHE  91           HE1      PHE  91  -8.859  -0.250   4.756
  716    HE2  PHE  91           HE2      PHE  91  -6.433  -2.475   2.042
  717    HZ   PHE  91           HZ       PHE  91  -7.032  -0.330   3.102
  718    H    ASN  92           H        ASN  92 -10.112  -4.981   7.579
  719    HA   ASN  92           HA       ASN  92 -11.465  -7.564   7.908
  720   1HB   ASN  92          2HB       ASN  92 -10.866  -5.351   9.880
  721   2HB   ASN  92          1HB       ASN  92 -11.857  -6.757  10.263
  722   1HD2  ASN  92          1HD2      ASN  92  -9.494  -6.055  11.602
  723   2HD2  ASN  92          2HD2      ASN  92  -8.326  -7.299  11.324
  724    H    ASN  93           H        ASN  93 -12.148  -4.894   6.340
  725    HA   ASN  93           HA       ASN  93 -14.973  -5.155   6.757
  726   1HB   ASN  93          2HB       ASN  93 -14.013  -3.436   8.472
  727   2HB   ASN  93          1HB       ASN  93 -13.925  -2.367   7.075
  728   1HD2  ASN  93          1HD2      ASN  93 -15.563  -1.021   7.092
  729   2HD2  ASN  93          2HD2      ASN  93 -17.201  -1.409   7.477
  730    H    ARG  94           H        ARG  94 -16.017  -4.903   4.895
  731    HA   ARG  94           HA       ARG  94 -14.652  -4.421   2.491
  732   1HB   ARG  94          2HB       ARG  94 -17.610  -4.357   3.108
  733   2HB   ARG  94          1HB       ARG  94 -16.941  -4.305   1.483
  734   1HG   ARG  94          2HG       ARG  94 -15.868  -6.499   1.908
  735   2HG   ARG  94          1HG       ARG  94 -16.692  -6.553   3.468
  736   1HD   ARG  94          2HD       ARG  94 -17.987  -6.440   0.746
  737   2HD   ARG  94          1HD       ARG  94 -17.935  -7.831   1.829
  738    HE   ARG  94           HE       ARG  94 -19.717  -5.586   1.975
  739   1HH1  ARG  94          1HH1      ARG  94 -18.172  -8.119   3.812
  740   2HH1  ARG  94          2HH1      ARG  94 -19.381  -8.129   5.052
  741   1HH2  ARG  94          1HH2      ARG  94 -21.307  -5.597   3.605
  742   2HH2  ARG  94          2HH2      ARG  94 -21.161  -6.698   4.934
  743    H    THR  95           H        THR  95 -16.650  -2.309   4.516
  744    HA   THR  95           HA       THR  95 -16.744  -0.134   2.773
  745    HB   THR  95           HB       THR  95 -16.720   0.359   5.678
  746    HG1  THR  95           HG1      THR  95 -18.695  -0.735   5.950
  747   1HG2  THR  95          1HG2      THR  95 -18.767   1.513   5.253
  748   2HG2  THR  95          2HG2      THR  95 -18.842   0.845   3.623
  749   3HG2  THR  95          3HG2      THR  95 -17.577   1.999   4.045
  750    H    VAL  96           H        VAL  96 -14.550  -0.982   5.373
  751    HA   VAL  96           HA       VAL  96 -12.973   1.364   5.181
  752    HB   VAL  96           HB       VAL  96 -12.237  -1.314   6.366
  753   1HG1  VAL  96          1HG1      VAL  96 -10.783   0.452   7.763
  754   2HG1  VAL  96          2HG1      VAL  96 -10.833   1.283   6.209
  755   3HG1  VAL  96          3HG1      VAL  96 -10.185  -0.354   6.312
  756   1HG2  VAL  96          1HG2      VAL  96 -14.203   0.430   7.206
  757   2HG2  VAL  96          2HG2      VAL  96 -12.818   0.860   8.208
  758   3HG2  VAL  96          3HG2      VAL  96 -13.413  -0.799   8.193
  759    H    MET  97           H        MET  97 -12.890  -1.771   3.684
  760    HA   MET  97           HA       MET  97 -10.293  -1.416   2.516
  761   1HB   MET  97          2HB       MET  97 -10.482  -3.561   1.765
  762   2HB   MET  97          1HB       MET  97 -11.685  -3.617   3.044
  763   1HG   MET  97          2HG       MET  97 -12.958  -4.520   1.436
  764   2HG   MET  97          1HG       MET  97 -13.234  -2.839   0.989
  765   1HE   MET  97          1HE       MET  97 -12.658  -6.142  -0.330
  766   2HE   MET  97          2HE       MET  97 -12.408  -5.706  -2.021
  767   3HE   MET  97          3HE       MET  97 -13.800  -5.071  -1.144
  768    H    ASP  98           H        ASP  98 -13.592  -0.766   1.583
  769    HA   ASP  98           HA       ASP  98 -12.939  -0.257  -1.161
  770   1HB   ASP  98          2HB       ASP  98 -15.170  -1.099  -0.474
  771   2HB   ASP  98          1HB       ASP  98 -15.460   0.428   0.354
  772    H    ASN  99           H        ASN  99 -13.115   1.547   1.774
  773    HA   ASN  99           HA       ASN  99 -13.303   4.122   0.576
  774   1HB   ASN  99          2HB       ASN  99 -12.494   3.230   3.342
  775   2HB   ASN  99          1HB       ASN  99 -12.592   4.922   2.866
  776   1HD2  ASN  99          1HD2      ASN  99 -14.089   3.885   4.937
  777   2HD2  ASN  99          2HD2      ASN  99 -15.758   3.900   4.494
  778    H    ILE 100           H        ILE 100 -10.732   1.960   1.379
  779    HA   ILE 100           HA       ILE 100  -8.658   3.954   1.038
  780    HB   ILE 100           HB       ILE 100  -8.461   0.964   1.430
  781   1HG1  ILE 100          2HG1      ILE 100  -9.429   2.244   3.340
  782   2HG1  ILE 100          1HG1      ILE 100  -7.897   1.468   3.724
  783   1HG2  ILE 100          1HG2      ILE 100  -6.483   1.644   0.337
  784   2HG2  ILE 100          2HG2      ILE 100  -6.079   1.521   2.050
  785   3HG2  ILE 100          3HG2      ILE 100  -6.352   3.103   1.319
  786   1HD1  ILE 100          1HD1      ILE 100  -8.146   4.358   2.940
  787   2HD1  ILE 100          2HD1      ILE 100  -6.733   3.537   3.602
  788   3HD1  ILE 100          3HD1      ILE 100  -8.162   3.782   4.607
  789    H    LYS 101           H        LYS 101  -9.930   1.148  -0.703
  790    HA   LYS 101           HA       LYS 101  -8.068   1.026  -2.760
  791   1HB   LYS 101          2HB       LYS 101  -9.560  -0.376  -3.878
  792   2HB   LYS 101          1HB       LYS 101 -10.016  -0.570  -2.193
  793   1HG   LYS 101          2HG       LYS 101 -11.940   0.791  -2.466
  794   2HG   LYS 101          1HG       LYS 101 -11.422   1.316  -4.068
  795   1HD   LYS 101          2HD       LYS 101 -13.142  -0.338  -4.327
  796   2HD   LYS 101          1HD       LYS 101 -11.605  -1.041  -4.836
  797   1HE   LYS 101          2HE       LYS 101 -11.578  -1.768  -2.263
  798   2HE   LYS 101          1HE       LYS 101 -13.322  -1.687  -2.512
  799   1HZ   LYS 101          1HZ       LYS 101 -12.634  -3.057  -4.656
  800   2HZ   LYS 101          2HZ       LYS 101 -12.972  -3.804  -3.177
  801   3HZ   LYS 101          3HZ       LYS 101 -11.367  -3.531  -3.640
  802    H    MET 102           H        MET 102 -10.816   3.161  -2.337
  803    HA   MET 102           HA       MET 102 -10.634   4.227  -5.005
  804   1HB   MET 102          2HB       MET 102 -12.196   5.279  -2.651
  805   2HB   MET 102          1HB       MET 102 -12.424   5.722  -4.337
  806   1HG   MET 102          2HG       MET 102 -12.646   2.852  -3.680
  807   2HG   MET 102          1HG       MET 102 -13.923   3.909  -3.079
  808   1HE   MET 102          1HE       MET 102 -16.086   4.768  -5.638
  809   2HE   MET 102          2HE       MET 102 -14.805   5.964  -5.828
  810   3HE   MET 102          3HE       MET 102 -15.216   5.359  -4.223
  811    H    THR 103           H        THR 103  -9.938   5.404  -1.762
  812    HA   THR 103           HA       THR 103  -9.021   7.945  -2.517
  813    HB   THR 103           HB       THR 103  -9.592   7.006  -0.161
  814    HG1  THR 103           HG1      THR 103  -8.483   8.691   0.722
  815   1HG2  THR 103          1HG2      THR 103  -7.764   6.361   1.221
  816   2HG2  THR 103          2HG2      THR 103  -6.625   6.540  -0.114
  817   3HG2  THR 103          3HG2      THR 103  -7.831   5.259  -0.153
  818    H    LEU 104           H        LEU 104  -7.283   4.897  -2.035
  819    HA   LEU 104           HA       LEU 104  -4.704   5.928  -2.531
  820   1HB   LEU 104          2HB       LEU 104  -5.931   3.207  -2.539
  821   2HB   LEU 104          1HB       LEU 104  -4.337   3.411  -3.241
  822    HG   LEU 104           HG       LEU 104  -5.036   4.218  -0.419
  823   1HD1  LEU 104          1HD1      LEU 104  -5.128   1.689  -1.129
  824   2HD1  LEU 104          2HD1      LEU 104  -4.346   2.185   0.371
  825   3HD1  LEU 104          3HD1      LEU 104  -3.373   1.834  -1.057
  826   1HD2  LEU 104          1HD2      LEU 104  -3.002   5.142  -1.862
  827   2HD2  LEU 104          2HD2      LEU 104  -2.280   3.623  -1.333
  828   3HD2  LEU 104          3HD2      LEU 104  -2.854   4.789  -0.141
  829    H    GLN 105           H        GLN 105  -7.289   4.841  -4.615
  830    HA   GLN 105           HA       GLN 105  -5.762   4.574  -6.980
  831   1HB   GLN 105          2HB       GLN 105  -8.514   4.356  -6.216
  832   2HB   GLN 105          1HB       GLN 105  -8.404   5.354  -7.659
  833   1HG   GLN 105          2HG       GLN 105  -6.711   3.201  -8.149
  834   2HG   GLN 105          1HG       GLN 105  -8.126   2.503  -7.362
  835   1HE2  GLN 105          1HE2      GLN 105  -7.554   1.855  -9.938
  836   2HE2  GLN 105          2HE2      GLN 105  -8.719   2.560 -11.001
  837    H    GLN 106           H        GLN 106  -7.337   7.262  -5.424
  838    HA   GLN 106           HA       GLN 106  -7.205   9.084  -7.573
  839   1HB   GLN 106          2HB       GLN 106  -7.222   9.579  -4.590
  840   2HB   GLN 106          1HB       GLN 106  -7.413  10.836  -5.804
  841   1HG   GLN 106          2HG       GLN 106  -9.453   9.787  -6.599
  842   2HG   GLN 106          1HG       GLN 106  -9.254   8.484  -5.427
  843   1HE2  GLN 106          1HE2      GLN 106 -11.550   9.986  -5.520
  844   2HE2  GLN 106          2HE2      GLN 106 -11.660  10.962  -4.100
  845    H    ILE 107           H        ILE 107  -4.962   8.308  -4.956
  846    HA   ILE 107           HA       ILE 107  -3.057  10.295  -5.426
  847    HB   ILE 107           HB       ILE 107  -2.640   7.464  -4.449
  848   1HG1  ILE 107          2HG1      ILE 107  -2.777  10.004  -2.823
  849   2HG1  ILE 107          1HG1      ILE 107  -4.197   9.019  -3.158
  850   1HG2  ILE 107          1HG2      ILE 107  -0.709   9.282  -3.423
  851   2HG2  ILE 107          2HG2      ILE 107  -0.730   9.421  -5.181
  852   3HG2  ILE 107          3HG2      ILE 107  -0.460   7.853  -4.424
  853   1HD1  ILE 107          1HD1      ILE 107  -2.302   7.230  -2.195
  854   2HD1  ILE 107          2HD1      ILE 107  -3.704   7.867  -1.337
  855   3HD1  ILE 107          3HD1      ILE 107  -2.139   8.665  -1.181
  856    H    ILE 108           H        ILE 108  -3.449   7.083  -6.829
  857    HA   ILE 108           HA       ILE 108  -1.174   6.906  -8.407
  858    HB   ILE 108           HB       ILE 108  -3.864   6.028  -9.407
  859   1HG1  ILE 108          2HG1      ILE 108  -3.974   5.240  -7.204
  860   2HG1  ILE 108          1HG1      ILE 108  -3.366   3.867  -8.121
  861   1HG2  ILE 108          1HG2      ILE 108  -2.306   5.518 -11.000
  862   2HG2  ILE 108          2HG2      ILE 108  -2.347   4.025 -10.060
  863   3HG2  ILE 108          3HG2      ILE 108  -1.039   5.185  -9.820
  864   1HD1  ILE 108          1HD1      ILE 108  -2.203   5.235  -5.892
  865   2HD1  ILE 108          2HD1      ILE 108  -1.105   5.269  -7.272
  866   3HD1  ILE 108          3HD1      ILE 108  -1.711   3.728  -6.665
  867    H    SER 109           H        SER 109  -4.327   8.149  -9.231
  868    HA   SER 109           HA       SER 109  -3.821   9.004 -11.823
  869   1HB   SER 109          2HB       SER 109  -5.691  10.306  -9.835
  870   2HB   SER 109          1HB       SER 109  -5.777  10.448 -11.590
  871    HG   SER 109           HG       SER 109  -6.205   8.221 -11.690
  872    H    ARG 110           H        ARG 110  -3.042  10.511  -8.796
  873    HA   ARG 110           HA       ARG 110  -2.444  13.073  -9.857
  874   1HB   ARG 110          2HB       ARG 110  -1.602  11.764  -7.273
  875   2HB   ARG 110          1HB       ARG 110  -1.293  13.447  -7.672
  876   1HG   ARG 110          2HG       ARG 110  -3.731  13.810  -7.857
  877   2HG   ARG 110          1HG       ARG 110  -3.985  12.143  -7.332
  878   1HD   ARG 110          2HD       ARG 110  -2.679  12.701  -5.263
  879   2HD   ARG 110          1HD       ARG 110  -2.706  14.386  -5.778
  880    HE   ARG 110           HE       ARG 110  -4.862  12.898  -4.611
  881   1HH1  ARG 110          1HH1      ARG 110  -4.054  15.596  -6.672
  882   2HH1  ARG 110          2HH1      ARG 110  -5.542  16.431  -6.373
  883   1HH2  ARG 110          1HH2      ARG 110  -6.820  13.994  -4.217
  884   2HH2  ARG 110          2HH2      ARG 110  -7.112  15.522  -4.979
  885    H    TYR 111           H        TYR 111  -0.638  10.144  -9.372
  886    HA   TYR 111           HA       TYR 111   1.931  11.287  -9.821
  887   1HB   TYR 111          2HB       TYR 111   0.853   8.497  -9.715
  888   2HB   TYR 111          1HB       TYR 111   2.469   8.774 -10.356
  889    HD1  TYR 111           HD1      TYR 111   4.172   9.924  -8.878
  890    HD2  TYR 111           HD2      TYR 111   0.461   8.466  -7.394
  891    HE1  TYR 111           HE1      TYR 111   5.074   9.973  -6.590
  892    HE2  TYR 111           HE2      TYR 111   1.353   8.511  -5.102
  893    HH   TYR 111           HH       TYR 111   3.559   8.446  -3.983
  894    H    LYS 112           H        LYS 112  -0.591  10.068 -11.847
  895    HA   LYS 112           HA       LYS 112   0.953   9.735 -14.204
  896   1HB   LYS 112          2HB       LYS 112  -2.013  10.130 -13.797
  897   2HB   LYS 112          1HB       LYS 112  -1.277   9.760 -15.350
  898   1HG   LYS 112          2HG       LYS 112  -0.379   7.666 -14.362
  899   2HG   LYS 112          1HG       LYS 112  -1.287   8.026 -12.891
  900   1HD   LYS 112          2HD       LYS 112  -2.925   8.197 -15.290
  901   2HD   LYS 112          1HD       LYS 112  -2.207   6.600 -15.071
  902   1HE   LYS 112          2HE       LYS 112  -3.047   7.127 -12.554
  903   2HE   LYS 112          1HE       LYS 112  -4.266   7.990 -13.491
  904   1HZ   LYS 112          1HZ       LYS 112  -5.008   6.058 -14.468
  905   2HZ   LYS 112          2HZ       LYS 112  -4.628   5.517 -12.912
  906   3HZ   LYS 112          3HZ       LYS 112  -3.566   5.218 -14.193
  907    H    ASP 113           H        ASP 113  -0.947  12.382 -12.853
  908    HA   ASP 113           HA       ASP 113  -0.899  14.107 -15.053
  909   1HB   ASP 113          2HB       ASP 113  -0.969  14.708 -12.091
  910   2HB   ASP 113          1HB       ASP 113  -1.206  15.925 -13.343
  911    H    ALA 114           H        ALA 114   1.468  13.542 -12.509
  912    HA   ALA 114           HA       ALA 114   3.161  15.714 -13.028
  913   1HB   ALA 114          1HB       ALA 114   3.399  14.453 -11.002
  914   2HB   ALA 114          2HB       ALA 114   4.908  14.343 -11.907
  915   3HB   ALA 114          3HB       ALA 114   3.781  12.988 -11.904
  916    H    ASP 115           H        ASP 115   2.848  12.587 -14.569
  917    HA   ASP 115           HA       ASP 115   5.175  13.129 -16.262
  918   1HB   ASP 115          2HB       ASP 115   3.485  10.646 -15.909
  919   2HB   ASP 115          1HB       ASP 115   4.810  10.781 -17.062
  Start of MODEL    8
    1    HT1  PRO   1           HT2      PRO   1 -14.021   8.924   6.755
    2    HT2  PRO   1           HT1      PRO   1 -13.737   9.918   5.400
    3    HA   PRO   1           HA       PRO   1 -14.857   7.389   5.539
    4   1HB   PRO   1          2HB       PRO   1 -16.764   8.530   3.863
    5   2HB   PRO   1          1HB       PRO   1 -17.047   7.927   5.500
    6   1HG   PRO   1          2HG       PRO   1 -16.597  10.718   4.561
    7   2HG   PRO   1          1HG       PRO   1 -17.614  10.128   5.886
    8   1HD   PRO   1          2HD       PRO   1 -15.219  11.337   6.307
    9   2HD   PRO   1          1HD       PRO   1 -15.848  10.072   7.381
   10    H    SER   2           H        SER   2 -12.514   8.573   4.578
   11    HA   SER   2           HA       SER   2 -12.510   7.643   1.887
   12   1HB   SER   2          2HB       SER   2 -13.492   9.913   1.569
   13   2HB   SER   2          1HB       SER   2 -12.029  10.606   2.268
   14    HG   SER   2           HG       SER   2 -10.918   9.377   0.532
   15    H    HIS   3           H        HIS   3 -10.844   9.623   4.305
   16    HA   HIS   3           HA       HIS   3  -8.302   8.397   3.462
   17   1HB   HIS   3          2HB       HIS   3  -8.883  11.042   4.796
   18   2HB   HIS   3          1HB       HIS   3  -7.264  10.354   4.716
   19    HD1  HIS   3           HD1      HIS   3 -10.044  11.254   2.273
   20    HD2  HIS   3           HD2      HIS   3  -5.899  11.159   2.529
   21    HE1  HIS   3           HE1      HIS   3  -9.215  12.216   0.103
   22    HE2  HIS   3           HE2      HIS   3  -6.705  12.071   0.246
   23    H    SER   4           H        SER   4  -6.867   7.631   5.044
   24    HA   SER   4           HA       SER   4  -6.277   6.517   6.931
   25   1HB   SER   4          2HB       SER   4  -6.649   7.555   8.993
   26   2HB   SER   4          1HB       SER   4  -6.777   8.892   7.851
   27    HG   SER   4           HG       SER   4  -8.890   9.007   8.186
   28    H    GLY   5           H        GLY   5  -6.841   4.493   7.260
   29   1HA   GLY   5          2HA       GLY   5  -9.429   3.817   8.351
   30   2HA   GLY   5          1HA       GLY   5  -9.175   3.241   6.709
   31    H    ALA   6           H        ALA   6  -9.512   1.742   9.240
   32    HA   ALA   6           HA       ALA   6  -7.038   0.675  10.056
   33   1HB   ALA   6          1HB       ALA   6  -9.004   0.443  11.439
   34   2HB   ALA   6          2HB       ALA   6  -8.346  -1.146  11.044
   35   3HB   ALA   6          3HB       ALA   6  -9.782  -0.553  10.207
   36    H    ALA   7           H        ALA   7  -5.865  -1.041   9.392
   37    HA   ALA   7           HA       ALA   7  -6.851  -2.863   7.397
   38   1HB   ALA   7          1HB       ALA   7  -6.216  -1.012   5.979
   39   2HB   ALA   7          2HB       ALA   7  -5.098  -2.356   5.745
   40   3HB   ALA   7          3HB       ALA   7  -4.616  -0.967   6.720
   41    H    ILE   8           H        ILE   8  -5.612  -4.746   7.176
   42    HA   ILE   8           HA       ILE   8  -3.643  -5.147   9.306
   43    HB   ILE   8           HB       ILE   8  -4.852  -7.203   7.466
   44   1HG1  ILE   8          2HG1      ILE   8  -5.681  -6.690  10.311
   45   2HG1  ILE   8          1HG1      ILE   8  -6.494  -5.930   8.940
   46   1HG2  ILE   8          1HG2      ILE   8  -2.644  -7.554   8.878
   47   2HG2  ILE   8          2HG2      ILE   8  -3.843  -8.830   8.698
   48   3HG2  ILE   8          3HG2      ILE   8  -3.809  -7.855  10.166
   49   1HD1  ILE   8          1HD1      ILE   8  -6.106  -8.876   8.971
   50   2HD1  ILE   8          2HD1      ILE   8  -7.355  -7.903   8.184
   51   3HD1  ILE   8          3HD1      ILE   8  -7.398  -8.150   9.932
   52    H    PHE   9           H        PHE   9  -1.586  -5.835   8.948
   53    HA   PHE   9           HA       PHE   9  -0.696  -6.334   6.223
   54   1HB   PHE   9          2HB       PHE   9  -0.374  -3.923   6.505
   55   2HB   PHE   9          1HB       PHE   9   0.549  -4.208   7.973
   56    HD1  PHE   9           HD1      PHE   9   0.582  -5.566   4.498
   57    HD2  PHE   9           HD2      PHE   9   2.788  -3.865   7.711
   58    HE1  PHE   9           HE1      PHE   9   2.642  -5.724   3.159
   59    HE2  PHE   9           HE2      PHE   9   4.855  -4.018   6.381
   60    HZ   PHE   9           HZ       PHE   9   4.783  -4.949   4.101
   61    H    GLU  10           H        GLU  10   0.066  -8.317   6.486
   62    HA   GLU  10           HA       GLU  10   1.540  -9.956   7.050
   63   1HB   GLU  10          2HB       GLU  10   2.685  -8.072   9.107
   64   2HB   GLU  10          1HB       GLU  10   3.429  -9.530   8.472
   65   1HG   GLU  10          2HG       GLU  10   3.523  -8.468   6.246
   66   2HG   GLU  10          1HG       GLU  10   2.879  -6.988   6.959
   67    H    LYS  11           H        LYS  11  -0.959 -10.118   7.997
   68    HA   LYS  11           HA       LYS  11  -2.257 -11.181   9.488
   69   1HB   LYS  11          2HB       LYS  11   0.474 -12.115  10.162
   70   2HB   LYS  11          1HB       LYS  11  -0.850 -12.561  11.232
   71   1HG   LYS  11          2HG       LYS  11  -1.940 -13.772   9.554
   72   2HG   LYS  11          1HG       LYS  11  -0.995 -13.003   8.274
   73   1HD   LYS  11          2HD       LYS  11   0.115 -14.881  10.363
   74   2HD   LYS  11          1HD       LYS  11  -0.304 -15.339   8.710
   75   1HE   LYS  11          2HE       LYS  11   1.862 -14.887   8.299
   76   2HE   LYS  11          1HE       LYS  11   1.302 -13.216   8.244
   77   1HZ   LYS  11          1HZ       LYS  11   2.910 -14.569  10.250
   78   2HZ   LYS  11          2HZ       LYS  11   1.747 -13.496  10.848
   79   3HZ   LYS  11          3HZ       LYS  11   2.922 -12.948   9.762
   80    H    VAL  12           H        VAL  12  -0.845  -8.451  10.202
   81    HA   VAL  12           HA       VAL  12  -1.803  -8.463  12.958
   82    HB   VAL  12           HB       VAL  12   0.491  -6.833  11.870
   83   1HG1  VAL  12          1HG1      VAL  12  -0.581  -6.928  14.684
   84   2HG1  VAL  12          2HG1      VAL  12  -0.906  -5.633  13.532
   85   3HG1  VAL  12          3HG1      VAL  12   0.743  -5.929  14.085
   86   1HG2  VAL  12          1HG2      VAL  12   0.391  -9.173  13.753
   87   2HG2  VAL  12          2HG2      VAL  12   1.789  -8.107  13.612
   88   3HG2  VAL  12          3HG2      VAL  12   1.253  -9.049  12.219
   89    H    SER  13           H        SER  13  -3.225  -6.838  13.485
   90    HA   SER  13           HA       SER  13  -4.083  -5.186  11.221
   91   1HB   SER  13          2HB       SER  13  -5.763  -6.668  12.307
   92   2HB   SER  13          1HB       SER  13  -5.555  -5.760  13.803
   93    HG   SER  13           HG       SER  13  -7.288  -5.195  12.074
   94    H    GLY  14           H        GLY  14  -4.342  -3.032  11.322
   95   1HA   GLY  14          2HA       GLY  14  -3.936  -1.511  13.719
   96   2HA   GLY  14          1HA       GLY  14  -2.552  -1.451  12.632
   97    H    ILE  15           H        ILE  15  -3.506   0.926  12.967
   98    HA   ILE  15           HA       ILE  15  -5.626   1.445  11.042
   99    HB   ILE  15           HB       ILE  15  -4.181   3.287  12.939
  100   1HG1  ILE  15          2HG1      ILE  15  -6.363   1.482  13.230
  101   2HG1  ILE  15          1HG1      ILE  15  -5.710   2.600  14.424
  102   1HG2  ILE  15          1HG2      ILE  15  -5.851   4.986  12.284
  103   2HG2  ILE  15          2HG2      ILE  15  -6.429   3.901  11.019
  104   3HG2  ILE  15          3HG2      ILE  15  -4.785   4.537  10.952
  105   1HD1  ILE  15          1HD1      ILE  15  -7.214   4.354  13.481
  106   2HD1  ILE  15          2HD1      ILE  15  -8.046   2.991  14.231
  107   3HD1  ILE  15          3HD1      ILE  15  -7.942   3.100  12.474
  108    H    ILE  16           H        ILE  16  -5.311   2.091   9.056
  109    HA   ILE  16           HA       ILE  16  -2.591   2.746   8.190
  110    HB   ILE  16           HB       ILE  16  -4.848   1.295   7.018
  111   1HG1  ILE  16          2HG1      ILE  16  -1.875   1.444   6.507
  112   2HG1  ILE  16          1HG1      ILE  16  -2.763   0.205   7.381
  113   1HG2  ILE  16          1HG2      ILE  16  -3.463   3.391   5.347
  114   2HG2  ILE  16          2HG2      ILE  16  -5.195   3.170   5.599
  115   3HG2  ILE  16          3HG2      ILE  16  -4.286   1.992   4.654
  116   1HD1  ILE  16          1HD1      ILE  16  -2.960  -0.977   5.530
  117   2HD1  ILE  16          2HD1      ILE  16  -2.049   0.253   4.656
  118   3HD1  ILE  16          3HD1      ILE  16  -3.808   0.354   4.746
  119    H    ALA  17           H        ALA  17  -2.128   4.829   7.939
  120    HA   ALA  17           HA       ALA  17  -4.312   6.695   7.296
  121   1HB   ALA  17          1HB       ALA  17  -2.865   8.450   8.255
  122   2HB   ALA  17          2HB       ALA  17  -1.677   7.213   8.669
  123   3HB   ALA  17          3HB       ALA  17  -3.273   7.190   9.419
  124    H    ILE  18           H        ILE  18  -4.108   8.130   5.615
  125    HA   ILE  18           HA       ILE  18  -1.878   7.605   3.780
  126    HB   ILE  18           HB       ILE  18  -4.762   8.076   3.399
  127   1HG1  ILE  18          2HG1      ILE  18  -2.761   6.826   1.526
  128   2HG1  ILE  18          1HG1      ILE  18  -3.410   5.970   2.922
  129   1HG2  ILE  18          1HG2      ILE  18  -2.728   9.459   1.690
  130   2HG2  ILE  18          2HG2      ILE  18  -4.211  10.101   2.398
  131   3HG2  ILE  18          3HG2      ILE  18  -4.296   8.968   1.049
  132   1HD1  ILE  18          1HD1      ILE  18  -5.711   6.590   1.912
  133   2HD1  ILE  18          2HD1      ILE  18  -4.780   5.262   1.217
  134   3HD1  ILE  18          3HD1      ILE  18  -4.792   6.839   0.427
  135    H    ASN  19           H        ASN  19  -0.344   9.103   4.004
  136    HA   ASN  19           HA       ASN  19  -1.154  11.900   4.425
  137   1HB   ASN  19          2HB       ASN  19   1.467  10.510   5.016
  138   2HB   ASN  19          1HB       ASN  19   1.193  12.239   5.210
  139   1HD2  ASN  19          1HD2      ASN  19   2.004  10.600   7.290
  140   2HD2  ASN  19          2HD2      ASN  19   0.738  10.511   8.461
  141    H    GLU  20           H        GLU  20  -1.250  12.966   2.560
  142    HA   GLU  20           HA       GLU  20   0.556  12.258   0.386
  143   1HB   GLU  20          2HB       GLU  20  -1.785  14.171   0.479
  144   2HB   GLU  20          1HB       GLU  20  -0.839  13.815  -0.959
  145   1HG   GLU  20          2HG       GLU  20  -1.517  11.455  -0.789
  146   2HG   GLU  20          1HG       GLU  20  -2.516  11.865   0.604
  147    H    ASP  21           H        ASP  21   0.351  14.535   2.901
  148    HA   ASP  21           HA       ASP  21   1.433  16.836   1.803
  149   1HB   ASP  21          2HB       ASP  21   0.599  16.593   4.146
  150   2HB   ASP  21          1HB       ASP  21   2.073  15.713   4.537
  151    H    VAL  22           H        VAL  22   2.898  13.777   2.362
  152    HA   VAL  22           HA       VAL  22   5.599  14.729   2.246
  153    HB   VAL  22           HB       VAL  22   4.917  11.891   1.805
  154   1HG1  VAL  22          1HG1      VAL  22   7.166  11.974   1.856
  155   2HG1  VAL  22          2HG1      VAL  22   6.913  11.927   3.600
  156   3HG1  VAL  22          3HG1      VAL  22   7.190  13.470   2.791
  157   1HG2  VAL  22          1HG2      VAL  22   5.081  11.894   4.481
  158   2HG2  VAL  22          2HG2      VAL  22   3.551  11.960   3.607
  159   3HG2  VAL  22          3HG2      VAL  22   4.278  13.443   4.226
  160    H    SER  23           H        SER  23   7.107  14.191   0.576
  161    HA   SER  23           HA       SER  23   5.915  13.479  -2.004
  162   1HB   SER  23          2HB       SER  23   7.699  15.316  -2.840
  163   2HB   SER  23          1HB       SER  23   6.011  15.697  -2.505
  164    HG   SER  23           HG       SER  23   6.948  17.125  -1.241
  165    HA   PRO  24           HA       PRO  24   6.029  11.992  -3.290
  166   1HB   PRO  24          2HB       PRO  24   6.229   9.293  -3.268
  167   2HB   PRO  24          1HB       PRO  24   7.038  10.299  -4.475
  168   1HG   PRO  24          2HG       PRO  24   8.152   9.064  -1.985
  169   2HG   PRO  24          1HG       PRO  24   8.862   9.142  -3.609
  170   1HD   PRO  24          2HD       PRO  24   9.587  10.829  -1.618
  171   2HD   PRO  24          1HD       PRO  24   9.585  11.310  -3.326
  172    H    ALA  25           H        ALA  25   4.049  11.353  -2.496
  173    HA   ALA  25           HA       ALA  25   3.580  11.428   0.238
  174   1HB   ALA  25          1HB       ALA  25   1.761  11.908  -1.166
  175   2HB   ALA  25          2HB       ALA  25   1.333  10.386  -0.383
  176   3HB   ALA  25          3HB       ALA  25   1.925  10.387  -2.044
  177    H    GLU  26           H        GLU  26   2.453   9.643   1.512
  178    HA   GLU  26           HA       GLU  26   3.252   6.939   0.886
  179   1HB   GLU  26          2HB       GLU  26   4.452   8.358   3.269
  180   2HB   GLU  26          1HB       GLU  26   4.566   6.632   2.961
  181   1HG   GLU  26          2HG       GLU  26   5.742   7.144   0.838
  182   2HG   GLU  26          1HG       GLU  26   5.728   8.847   1.292
  183    H    LEU  27           H        LEU  27   2.339   5.363   2.292
  184    HA   LEU  27           HA       LEU  27   0.069   6.386   3.863
  185   1HB   LEU  27          2HB       LEU  27  -0.561   5.039   1.914
  186   2HB   LEU  27          1HB       LEU  27   0.422   3.713   2.503
  187    HG   LEU  27           HG       LEU  27  -1.815   4.773   4.187
  188   1HD1  LEU  27          1HD1      LEU  27  -2.096   2.715   2.001
  189   2HD1  LEU  27          2HD1      LEU  27  -2.767   4.347   1.965
  190   3HD1  LEU  27          3HD1      LEU  27  -3.336   3.185   3.164
  191   1HD2  LEU  27          1HD2      LEU  27  -1.813   2.214   4.680
  192   2HD2  LEU  27          2HD2      LEU  27  -0.587   3.253   5.405
  193   3HD2  LEU  27          3HD2      LEU  27  -0.191   2.276   3.990
  194    H    THR  28           H        THR  28   0.312   6.232   6.004
  195    HA   THR  28           HA       THR  28   2.342   4.546   7.131
  196    HB   THR  28           HB       THR  28   0.588   6.037   8.923
  197    HG1  THR  28           HG1      THR  28   0.371   7.612   7.518
  198   1HG2  THR  28          1HG2      THR  28   2.646   6.974   9.727
  199   2HG2  THR  28          2HG2      THR  28   3.510   6.308   8.343
  200   3HG2  THR  28          3HG2      THR  28   2.817   5.228   9.551
  201    H    TRP  29           H        TRP  29   2.001   2.951   8.666
  202    HA   TRP  29           HA       TRP  29  -0.746   2.048   9.112
  203   1HB   TRP  29          2HB       TRP  29   0.215   0.613   7.371
  204   2HB   TRP  29          1HB       TRP  29   1.606   0.278   8.401
  205    HD1  TRP  29           HD1      TRP  29  -2.200   0.095   9.072
  206    HE1  TRP  29           HE1      TRP  29  -2.727  -2.212  10.108
  207    HE3  TRP  29           HE3      TRP  29   2.507  -1.898   9.054
  208    HZ2  TRP  29           HZ2      TRP  29  -1.326  -4.534  10.819
  209    HZ3  TRP  29           HZ3      TRP  29   2.824  -4.176   9.938
  210    HH2  TRP  29           HH2      TRP  29   0.934  -5.473  10.799
  211    H    ARG  30           H        ARG  30  -1.040   2.303  11.233
  212    HA   ARG  30           HA       ARG  30   1.197   1.668  13.038
  213   1HB   ARG  30          2HB       ARG  30  -1.277   3.361  13.393
  214   2HB   ARG  30          1HB       ARG  30  -0.294   2.852  14.758
  215   1HG   ARG  30          2HG       ARG  30   1.643   3.983  13.780
  216   2HG   ARG  30          1HG       ARG  30   0.644   4.508  12.423
  217   1HD   ARG  30          2HD       ARG  30   0.268   5.241  15.324
  218   2HD   ARG  30          1HD       ARG  30   0.864   6.298  14.045
  219    HE   ARG  30           HE       ARG  30  -1.871   5.602  14.589
  220   1HH1  ARG  30          1HH1      ARG  30   0.370   6.696  12.148
  221   2HH1  ARG  30          2HH1      ARG  30  -0.855   7.448  11.183
  222   1HH2  ARG  30          1HH2      ARG  30  -3.483   6.591  13.320
  223   2HH2  ARG  30          2HH2      ARG  30  -3.042   7.389  11.848
  224    H    SER  31           H        SER  31   1.095  -0.128  14.275
  225    HA   SER  31           HA       SER  31  -0.927  -2.028  13.924
  226   1HB   SER  31          2HB       SER  31   1.122  -2.927  14.589
  227   2HB   SER  31          1HB       SER  31   1.338  -1.737  15.874
  228    HG   SER  31           HG       SER  31   0.608  -3.303  17.082
  229    H    THR  32           H        THR  32  -2.337  -2.934  15.583
  230    HA   THR  32           HA       THR  32  -4.070  -1.049  16.676
  231    HB   THR  32           HB       THR  32  -3.659  -3.976  16.783
  232    HG1  THR  32           HG1      THR  32  -5.037  -2.813  15.270
  233   1HG2  THR  32          1HG2      THR  32  -4.069  -3.665  19.090
  234   2HG2  THR  32          2HG2      THR  32  -5.540  -4.283  18.341
  235   3HG2  THR  32          3HG2      THR  32  -5.415  -2.575  18.763
  236    H    ASP  33           H        ASP  33  -1.310  -2.716  17.930
  237    HA   ASP  33           HA       ASP  33  -1.723  -2.062  20.666
  238   1HB   ASP  33          2HB       ASP  33   0.754  -2.960  19.193
  239   2HB   ASP  33          1HB       ASP  33   0.654  -2.784  20.942
  240    H    GLY  34           H        GLY  34  -0.100  -0.548  17.997
  241   1HA   GLY  34          2HA       GLY  34   0.461   1.698  17.777
  242   2HA   GLY  34          1HA       GLY  34   0.093   1.930  19.480
  243    H    ASP  35           H        ASP  35   2.185  -0.639  18.491
  244    HA   ASP  35           HA       ASP  35   4.458   0.830  19.631
  245   1HB   ASP  35          2HB       ASP  35   3.744  -1.176  20.905
  246   2HB   ASP  35          1HB       ASP  35   4.063  -2.164  19.482
  247    H    LYS  36           H        LYS  36   3.257  -0.759  16.840
  248    HA   LYS  36           HA       LYS  36   5.886  -0.461  15.549
  249   1HB   LYS  36          2HB       LYS  36   4.094  -2.757  15.658
  250   2HB   LYS  36          1HB       LYS  36   4.493  -2.301  14.007
  251   1HG   LYS  36          2HG       LYS  36   6.128  -3.850  14.572
  252   2HG   LYS  36          1HG       LYS  36   6.929  -2.294  14.801
  253   1HD   LYS  36          2HD       LYS  36   6.525  -2.413  17.194
  254   2HD   LYS  36          1HD       LYS  36   5.644  -3.926  16.990
  255   1HE   LYS  36          2HE       LYS  36   7.983  -4.534  15.771
  256   2HE   LYS  36          1HE       LYS  36   8.540  -3.403  17.002
  257   1HZ   LYS  36          1HZ       LYS  36   7.303  -6.039  17.326
  258   2HZ   LYS  36          2HZ       LYS  36   7.034  -4.877  18.525
  259   3HZ   LYS  36          3HZ       LYS  36   8.612  -5.356  18.149
  260    H    VAL  37           H        VAL  37   5.937   0.908  13.899
  261    HA   VAL  37           HA       VAL  37   3.401   1.562  12.545
  262    HB   VAL  37           HB       VAL  37   5.640   3.510  13.105
  263   1HG1  VAL  37          1HG1      VAL  37   4.567   5.013  11.834
  264   2HG1  VAL  37          2HG1      VAL  37   2.979   4.512  12.414
  265   3HG1  VAL  37          3HG1      VAL  37   3.769   3.610  11.122
  266   1HG2  VAL  37          1HG2      VAL  37   4.779   3.441  15.192
  267   2HG2  VAL  37          2HG2      VAL  37   3.249   2.750  14.653
  268   3HG2  VAL  37          3HG2      VAL  37   3.544   4.480  14.484
  269    H    HIS  38           H        HIS  38   3.433   1.072  10.469
  270    HA   HIS  38           HA       HIS  38   6.034   0.933   9.091
  271   1HB   HIS  38          2HB       HIS  38   4.777  -1.187   9.170
  272   2HB   HIS  38          1HB       HIS  38   3.446  -0.408   8.329
  273    HD1  HIS  38           HD1      HIS  38   6.252  -2.485   7.677
  274    HD2  HIS  38           HD2      HIS  38   4.438   0.680   5.688
  275    HE1  HIS  38           HE1      HIS  38   7.012  -2.668   5.286
  276    HE2  HIS  38           HE2      HIS  38   5.975  -0.689   4.123
  277    H    THR  39           H        THR  39   6.344   1.927   7.177
  278    HA   THR  39           HA       THR  39   4.237   3.803   6.320
  279    HB   THR  39           HB       THR  39   7.199   4.197   5.913
  280    HG1  THR  39           HG1      THR  39   5.541   5.056   8.037
  281   1HG2  THR  39          1HG2      THR  39   5.843   5.556   4.455
  282   2HG2  THR  39          2HG2      THR  39   6.590   6.560   5.698
  283   3HG2  THR  39          3HG2      THR  39   4.886   6.117   5.826
  284    H    VAL  40           H        VAL  40   3.571   3.728   4.261
  285    HA   VAL  40           HA       VAL  40   4.987   1.896   2.440
  286    HB   VAL  40           HB       VAL  40   2.099   2.752   2.257
  287   1HG1  VAL  40          1HG1      VAL  40   1.847   1.122   0.598
  288   2HG1  VAL  40          2HG1      VAL  40   3.377   0.344   1.003
  289   3HG1  VAL  40          3HG1      VAL  40   3.372   1.916   0.205
  290   1HG2  VAL  40          1HG2      VAL  40   1.442   0.764   3.328
  291   2HG2  VAL  40          2HG2      VAL  40   2.719   1.435   4.341
  292   3HG2  VAL  40          3HG2      VAL  40   3.069   0.090   3.255
  293    H    VAL  41           H        VAL  41   5.548   2.551   0.412
  294    HA   VAL  41           HA       VAL  41   5.394   5.420  -0.105
  295    HB   VAL  41           HB       VAL  41   6.916   3.338  -1.674
  296   1HG1  VAL  41          1HG1      VAL  41   7.040   5.099  -3.075
  297   2HG1  VAL  41          2HG1      VAL  41   8.275   5.659  -1.948
  298   3HG1  VAL  41          3HG1      VAL  41   6.622   6.262  -1.818
  299   1HG2  VAL  41          1HG2      VAL  41   7.568   4.755   0.853
  300   2HG2  VAL  41          2HG2      VAL  41   8.858   4.538  -0.330
  301   3HG2  VAL  41          3HG2      VAL  41   8.009   3.133   0.317
  302    H    LEU  42           H        LEU  42   3.924   6.236  -1.428
  303    HA   LEU  42           HA       LEU  42   2.311   4.474  -3.066
  304   1HB   LEU  42          2HB       LEU  42   2.074   7.464  -2.843
  305   2HB   LEU  42          1HB       LEU  42   0.844   6.325  -3.357
  306    HG   LEU  42           HG       LEU  42   1.926   6.677  -0.562
  307   1HD1  LEU  42          1HD1      LEU  42  -0.307   7.788  -2.014
  308   2HD1  LEU  42          2HD1      LEU  42   0.316   8.197  -0.416
  309   3HD1  LEU  42          3HD1      LEU  42  -0.847   6.885  -0.597
  310   1HD2  LEU  42          1HD2      LEU  42   0.485   4.450  -1.827
  311   2HD2  LEU  42          2HD2      LEU  42  -0.207   5.024  -0.311
  312   3HD2  LEU  42          3HD2      LEU  42   1.471   4.482  -0.366
  313    H    SER  43           H        SER  43   5.110   6.313  -3.506
  314    HA   SER  43           HA       SER  43   4.636   7.046  -6.248
  315   1HB   SER  43          2HB       SER  43   6.115   8.503  -5.141
  316   2HB   SER  43          1HB       SER  43   7.024   7.176  -4.418
  317    HG   SER  43           HG       SER  43   8.284   7.788  -6.065
  318    H    THR  44           H        THR  44   5.913   4.328  -4.528
  319    HA   THR  44           HA       THR  44   7.104   3.206  -6.937
  320    HB   THR  44           HB       THR  44   8.329   3.028  -4.803
  321    HG1  THR  44           HG1      THR  44   7.433   0.521  -5.776
  322   1HG2  THR  44          1HG2      THR  44   7.609   1.949  -2.938
  323   2HG2  THR  44          2HG2      THR  44   6.475   0.932  -3.826
  324   3HG2  THR  44          3HG2      THR  44   6.080   2.620  -3.505
  325    H    ILE  45           H        ILE  45   4.103   3.544  -6.274
  326    HA   ILE  45           HA       ILE  45   3.267   0.744  -6.517
  327    HB   ILE  45           HB       ILE  45   1.510   3.163  -6.109
  328   1HG1  ILE  45          2HG1      ILE  45   3.003   2.986  -4.210
  329   2HG1  ILE  45          1HG1      ILE  45   1.404   2.424  -3.732
  330   1HG2  ILE  45          1HG2      ILE  45   0.830   0.335  -5.407
  331   2HG2  ILE  45          2HG2      ILE  45   0.622   0.928  -7.055
  332   3HG2  ILE  45          3HG2      ILE  45  -0.244   1.696  -5.724
  333   1HD1  ILE  45          1HD1      ILE  45   3.901   0.852  -4.177
  334   2HD1  ILE  45          2HD1      ILE  45   2.320   0.079  -4.282
  335   3HD1  ILE  45          3HD1      ILE  45   2.818   0.866  -2.785
  336    H    ASP  46           H        ASP  46   3.695   0.309  -8.659
  337    HA   ASP  46           HA       ASP  46   3.129   1.978 -10.830
  338   1HB   ASP  46          2HB       ASP  46   4.562  -0.086 -10.879
  339   2HB   ASP  46          1HB       ASP  46   3.085  -1.045 -10.852
  340    H    LYS  47           H        LYS  47   1.114  -0.223  -9.008
  341    HA   LYS  47           HA       LYS  47  -1.265   0.949 -10.095
  342   1HB   LYS  47          2HB       LYS  47  -0.488  -1.859 -10.853
  343   2HB   LYS  47          1HB       LYS  47  -2.171  -1.352 -10.808
  344   1HG   LYS  47          2HG       LYS  47  -1.458   0.533 -12.378
  345   2HG   LYS  47          1HG       LYS  47   0.026  -0.395 -12.607
  346   1HD   LYS  47          2HD       LYS  47  -2.744  -1.504 -13.038
  347   2HD   LYS  47          1HD       LYS  47  -1.743  -0.826 -14.322
  348   1HE   LYS  47          2HE       LYS  47   0.024  -2.501 -13.669
  349   2HE   LYS  47          1HE       LYS  47  -1.186  -3.256 -12.632
  350   1HZ   LYS  47          1HZ       LYS  47  -2.454  -3.898 -14.448
  351   2HZ   LYS  47          2HZ       LYS  47  -0.872  -4.165 -14.983
  352   3HZ   LYS  47          3HZ       LYS  47  -1.718  -2.795 -15.499
  353    H    LEU  48           H        LEU  48  -3.253  -0.208  -9.191
  354    HA   LEU  48           HA       LEU  48  -2.644  -1.275  -6.514
  355   1HB   LEU  48          2HB       LEU  48  -4.581  -0.108  -5.640
  356   2HB   LEU  48          1HB       LEU  48  -3.462   1.027  -6.370
  357    HG   LEU  48           HG       LEU  48  -5.457   0.157  -8.285
  358   1HD1  LEU  48          1HD1      LEU  48  -6.532   1.646  -5.904
  359   2HD1  LEU  48          2HD1      LEU  48  -6.752  -0.088  -6.143
  360   3HD1  LEU  48          3HD1      LEU  48  -7.418   1.054  -7.310
  361   1HD2  LEU  48          1HD2      LEU  48  -3.874   2.218  -8.176
  362   2HD2  LEU  48          2HD2      LEU  48  -5.164   2.926  -7.204
  363   3HD2  LEU  48          3HD2      LEU  48  -5.493   2.393  -8.852
  364    H    GLN  49           H        GLN  49  -3.670  -3.103  -5.930
  365    HA   GLN  49           HA       GLN  49  -5.828  -4.080  -7.682
  366   1HB   GLN  49          2HB       GLN  49  -3.415  -5.492  -6.605
  367   2HB   GLN  49          1HB       GLN  49  -4.884  -6.404  -6.927
  368   1HG   GLN  49          2HG       GLN  49  -3.371  -6.521  -8.810
  369   2HG   GLN  49          1HG       GLN  49  -4.843  -5.657  -9.250
  370   1HE2  GLN  49          1HE2      GLN  49  -3.876  -4.584 -10.952
  371   2HE2  GLN  49          2HE2      GLN  49  -2.725  -3.316 -10.721
  372    H    ALA  50           H        ALA  50  -7.459  -5.339  -6.707
  373    HA   ALA  50           HA       ALA  50  -7.472  -5.474  -3.784
  374   1HB   ALA  50          1HB       ALA  50  -9.913  -4.452  -5.180
  375   2HB   ALA  50          2HB       ALA  50  -8.617  -3.348  -4.720
  376   3HB   ALA  50          3HB       ALA  50  -9.445  -4.299  -3.487
  377    H    THR  51           H        THR  51  -9.197  -6.863  -2.940
  378    HA   THR  51           HA       THR  51  -9.388  -9.278  -4.434
  379    HB   THR  51           HB       THR  51 -10.961  -9.925  -2.503
  380    HG1  THR  51           HG1      THR  51 -11.619  -8.099  -1.602
  381   1HG2  THR  51          1HG2      THR  51  -8.721 -10.676  -2.375
  382   2HG2  THR  51          2HG2      THR  51  -9.118  -9.953  -0.816
  383   3HG2  THR  51          3HG2      THR  51  -8.134  -9.061  -1.977
  384    HA   PRO  52           HA       PRO  52 -13.136  -8.671  -6.675
  385   1HB   PRO  52          2HB       PRO  52 -14.141 -11.202  -6.704
  386   2HB   PRO  52          1HB       PRO  52 -12.767 -10.693  -7.693
  387   1HG   PRO  52          2HG       PRO  52 -12.783 -12.163  -5.085
  388   2HG   PRO  52          1HG       PRO  52 -11.800 -12.459  -6.530
  389   1HD   PRO  52          2HD       PRO  52 -10.833 -11.157  -4.371
  390   2HD   PRO  52          1HD       PRO  52 -10.318 -10.762  -6.024
  391    H    ALA  53           H        ALA  53 -15.398  -8.538  -6.462
  392    HA   ALA  53           HA       ALA  53 -16.344  -8.114  -3.833
  393   1HB   ALA  53          1HB       ALA  53 -18.625  -8.170  -5.255
  394   2HB   ALA  53          2HB       ALA  53 -17.458  -7.936  -6.557
  395   3HB   ALA  53          3HB       ALA  53 -17.530  -6.788  -5.220
  396    H    SER  54           H        SER  54 -16.086 -10.954  -5.688
  397    HA   SER  54           HA       SER  54 -18.279 -12.315  -4.350
  398   1HB   SER  54          2HB       SER  54 -17.643 -12.683  -6.793
  399   2HB   SER  54          1HB       SER  54 -16.240 -13.564  -6.189
  400    HG   SER  54           HG       SER  54 -18.879 -14.188  -5.389
  401    H    SER  55           H        SER  55 -15.236 -11.491  -3.461
  402    HA   SER  55           HA       SER  55 -14.756 -13.982  -1.982
  403   1HB   SER  55          2HB       SER  55 -12.936 -11.763  -2.885
  404   2HB   SER  55          1HB       SER  55 -12.463 -12.849  -1.577
  405    HG   SER  55           HG       SER  55 -13.347 -13.800  -4.090
  406    H    GLU  56           H        GLU  56 -15.548 -13.960  -0.000
  407    HA   GLU  56           HA       GLU  56 -16.405 -11.714   1.403
  408   1HB   GLU  56          2HB       GLU  56 -17.082 -14.054   1.896
  409   2HB   GLU  56          1HB       GLU  56 -15.486 -14.345   2.575
  410   1HG   GLU  56          2HG       GLU  56 -16.966 -13.952   4.381
  411   2HG   GLU  56          1HG       GLU  56 -15.943 -12.523   4.221
  412    H    LYS  57           H        LYS  57 -13.245 -12.927   0.923
  413    HA   LYS  57           HA       LYS  57 -12.141 -11.566   3.248
  414   1HB   LYS  57          2HB       LYS  57 -10.815 -13.151   1.043
  415   2HB   LYS  57          1HB       LYS  57  -9.969 -12.454   2.418
  416   1HG   LYS  57          2HG       LYS  57 -11.470 -13.833   3.896
  417   2HG   LYS  57          1HG       LYS  57 -12.015 -14.655   2.433
  418   1HD   LYS  57          2HD       LYS  57  -9.133 -14.464   3.304
  419   2HD   LYS  57          1HD       LYS  57 -10.185 -15.839   3.648
  420   1HE   LYS  57          2HE       LYS  57 -10.104 -15.005   0.831
  421   2HE   LYS  57          1HE       LYS  57  -8.583 -15.628   1.465
  422   1HZ   LYS  57          1HZ       LYS  57 -10.282 -17.450   2.390
  423   2HZ   LYS  57          2HZ       LYS  57  -9.501 -17.587   0.896
  424   3HZ   LYS  57          3HZ       LYS  57 -11.089 -17.009   0.970
  425    H    MET  58           H        MET  58 -12.355  -9.394   2.917
  426    HA   MET  58           HA       MET  58 -11.683  -8.160   0.411
  427   1HB   MET  58          2HB       MET  58 -12.078  -6.038   1.626
  428   2HB   MET  58          1HB       MET  58 -13.414  -7.170   1.785
  429   1HG   MET  58          2HG       MET  58 -11.861  -7.772   3.960
  430   2HG   MET  58          1HG       MET  58 -11.670  -6.026   3.817
  431   1HE   MET  58          1HE       MET  58 -14.940  -8.459   3.220
  432   2HE   MET  58          2HE       MET  58 -15.415  -8.380   4.916
  433   3HE   MET  58          3HE       MET  58 -13.826  -9.001   4.475
  434    H    MET  59           H        MET  59  -9.659  -7.903  -0.244
  435    HA   MET  59           HA       MET  59  -7.669  -6.899   1.649
  436   1HB   MET  59          2HB       MET  59  -7.162  -9.268  -0.160
  437   2HB   MET  59          1HB       MET  59  -5.992  -8.513   0.912
  438   1HG   MET  59          2HG       MET  59  -7.443  -9.139   2.831
  439   2HG   MET  59          1HG       MET  59  -8.466 -10.028   1.703
  440   1HE   MET  59          1HE       MET  59  -8.017 -11.442   3.749
  441   2HE   MET  59          2HE       MET  59  -6.524 -12.310   4.108
  442   3HE   MET  59          3HE       MET  59  -7.645 -12.946   2.906
  443    H    LEU  60           H        LEU  60  -6.169  -5.536   0.756
  444    HA   LEU  60           HA       LEU  60  -6.465  -5.000  -2.127
  445   1HB   LEU  60          2HB       LEU  60  -7.278  -3.187  -0.655
  446   2HB   LEU  60          1HB       LEU  60  -5.683  -3.073   0.062
  447    HG   LEU  60           HG       LEU  60  -4.857  -2.577  -2.330
  448   1HD1  LEU  60          1HD1      LEU  60  -7.365  -3.204  -3.066
  449   2HD1  LEU  60          2HD1      LEU  60  -6.317  -2.123  -3.986
  450   3HD1  LEU  60          3HD1      LEU  60  -7.524  -1.456  -2.888
  451   1HD2  LEU  60          1HD2      LEU  60  -6.295  -0.823  -0.433
  452   2HD2  LEU  60          2HD2      LEU  60  -5.949  -0.156  -2.028
  453   3HD2  LEU  60          3HD2      LEU  60  -4.631  -0.747  -1.015
  454    H    ARG  61           H        ARG  61  -4.728  -5.325  -3.351
  455    HA   ARG  61           HA       ARG  61  -2.097  -5.467  -2.031
  456   1HB   ARG  61          2HB       ARG  61  -2.936  -7.632  -2.923
  457   2HB   ARG  61          1HB       ARG  61  -2.984  -6.918  -4.529
  458   1HG   ARG  61          2HG       ARG  61  -0.537  -6.511  -4.354
  459   2HG   ARG  61          1HG       ARG  61  -0.549  -7.398  -2.828
  460   1HD   ARG  61          2HD       ARG  61  -1.370  -8.478  -5.523
  461   2HD   ARG  61          1HD       ARG  61   0.135  -8.838  -4.674
  462    HE   ARG  61           HE       ARG  61  -1.774  -9.576  -2.902
  463   1HH1  ARG  61          1HH1      ARG  61  -1.198 -10.345  -6.257
  464   2HH1  ARG  61          2HH1      ARG  61  -1.901 -11.923  -6.146
  465   1HH2  ARG  61          1HH2      ARG  61  -2.699 -11.652  -2.754
  466   2HH2  ARG  61          2HH2      ARG  61  -2.755 -12.665  -4.158
  467    H    LEU  62           H        LEU  62  -0.548  -4.137  -2.708
  468    HA   LEU  62           HA       LEU  62  -1.050  -2.585  -5.161
  469   1HB   LEU  62          2HB       LEU  62  -0.218  -1.832  -2.486
  470   2HB   LEU  62          1HB       LEU  62   0.913  -1.257  -3.696
  471    HG   LEU  62           HG       LEU  62  -1.036  -0.220  -4.902
  472   1HD1  LEU  62          1HD1      LEU  62  -2.871  -1.459  -4.052
  473   2HD1  LEU  62          2HD1      LEU  62  -3.050   0.192  -3.459
  474   3HD1  LEU  62          3HD1      LEU  62  -2.447  -1.070  -2.386
  475   1HD2  LEU  62          1HD2      LEU  62  -1.034   0.997  -2.211
  476   2HD2  LEU  62          2HD2      LEU  62  -0.718   1.722  -3.786
  477   3HD2  LEU  62          3HD2      LEU  62   0.538   0.784  -2.980
  478    H    ILE  63           H        ILE  63   0.365  -2.695  -6.782
  479    HA   ILE  63           HA       ILE  63   2.574  -4.536  -6.594
  480    HB   ILE  63           HB       ILE  63   1.922  -2.745  -8.930
  481   1HG1  ILE  63          2HG1      ILE  63  -0.104  -3.944  -8.374
  482   2HG1  ILE  63          1HG1      ILE  63   0.612  -4.677  -9.806
  483   1HG2  ILE  63          1HG2      ILE  63   4.084  -4.309  -8.554
  484   2HG2  ILE  63          2HG2      ILE  63   3.383  -3.969 -10.136
  485   3HG2  ILE  63          3HG2      ILE  63   2.983  -5.469  -9.299
  486   1HD1  ILE  63          1HD1      ILE  63   0.620  -5.730  -6.994
  487   2HD1  ILE  63          2HD1      ILE  63   1.622  -6.399  -8.284
  488   3HD1  ILE  63          3HD1      ILE  63  -0.137  -6.437  -8.422
  489    H    GLY  64           H        GLY  64   4.628  -4.058  -6.158
  490   1HA   GLY  64          2HA       GLY  64   5.375  -1.267  -5.803
  491   2HA   GLY  64          1HA       GLY  64   6.310  -2.668  -5.304
  492    H    LYS  65           H        LYS  65   5.004  -1.646  -8.458
  493    HA   LYS  65           HA       LYS  65   5.978  -1.539 -10.517
  494   1HB   LYS  65          2HB       LYS  65   7.719  -0.057  -8.651
  495   2HB   LYS  65          1HB       LYS  65   8.443  -0.458 -10.203
  496   1HG   LYS  65          2HG       LYS  65   6.569   0.636 -11.346
  497   2HG   LYS  65          1HG       LYS  65   5.877   1.061  -9.780
  498   1HD   LYS  65          2HD       LYS  65   7.924   2.340  -9.258
  499   2HD   LYS  65          1HD       LYS  65   8.543   1.964 -10.867
  500   1HE   LYS  65          2HE       LYS  65   7.552   4.194 -10.800
  501   2HE   LYS  65          1HE       LYS  65   6.652   3.127 -11.877
  502   1HZ   LYS  65          1HZ       LYS  65   5.878   3.760  -9.081
  503   2HZ   LYS  65          2HZ       LYS  65   4.995   2.822 -10.177
  504   3HZ   LYS  65          3HZ       LYS  65   5.204   4.475 -10.458
  505    H    VAL  66           H        VAL  66   8.369  -1.877 -11.608
  506    HA   VAL  66           HA       VAL  66   8.996  -4.663 -10.974
  507    HB   VAL  66           HB       VAL  66   8.384  -4.120 -13.300
  508   1HG1  VAL  66          1HG1      VAL  66   9.331  -2.498 -14.532
  509   2HG1  VAL  66          2HG1      VAL  66  10.948  -2.831 -13.911
  510   3HG1  VAL  66          3HG1      VAL  66   9.828  -1.846 -12.971
  511   1HG2  VAL  66          1HG2      VAL  66   9.599  -6.004 -13.475
  512   2HG2  VAL  66          2HG2      VAL  66  10.922  -5.364 -12.501
  513   3HG2  VAL  66          3HG2      VAL  66  10.801  -4.945 -14.210
  514    H    ASP  67           H        ASP  67  10.947  -5.324 -10.262
  515    HA   ASP  67           HA       ASP  67  13.032  -3.266  -9.940
  516   1HB   ASP  67          2HB       ASP  67  12.011  -4.037  -7.805
  517   2HB   ASP  67          1HB       ASP  67  12.545  -5.675  -8.174
  518    H    GLU  68           H        GLU  68  12.822  -4.788 -12.285
  519    HA   GLU  68           HA       GLU  68  15.403  -6.126 -12.222
  520   1HB   GLU  68          2HB       GLU  68  12.893  -7.503 -13.194
  521   2HB   GLU  68          1HB       GLU  68  14.527  -8.105 -13.441
  522   1HG   GLU  68          2HG       GLU  68  14.812  -8.228 -10.993
  523   2HG   GLU  68          1HG       GLU  68  13.133  -7.727 -10.802
  524    H    SER  69           H        SER  69  14.617  -3.663 -13.328
  525    HA   SER  69           HA       SER  69  14.592  -4.204 -16.214
  526   1HB   SER  69          2HB       SER  69  12.815  -2.693 -15.192
  527   2HB   SER  69          1HB       SER  69  14.108  -1.528 -14.905
  528    HG   SER  69           HG       SER  69  14.226  -1.122 -16.990
  529    H    LYS  70           H        LYS  70  16.424  -2.821 -13.631
  530    HA   LYS  70           HA       LYS  70  18.293  -1.434 -15.316
  531   1HB   LYS  70          2HB       LYS  70  18.366  -2.147 -12.381
  532   2HB   LYS  70          1HB       LYS  70  19.599  -1.186 -13.190
  533   1HG   LYS  70          2HG       LYS  70  17.849   0.462 -13.791
  534   2HG   LYS  70          1HG       LYS  70  16.692  -0.477 -12.845
  535   1HD   LYS  70          2HD       LYS  70  18.127  -0.166 -10.854
  536   2HD   LYS  70          1HD       LYS  70  19.200   0.850 -11.817
  537   1HE   LYS  70          2HE       LYS  70  17.845   2.400 -10.747
  538   2HE   LYS  70          1HE       LYS  70  17.072   2.222 -12.323
  539   1HZ   LYS  70          1HZ       LYS  70  15.472   0.718 -11.348
  540   2HZ   LYS  70          2HZ       LYS  70  15.470   2.181 -10.499
  541   3HZ   LYS  70          3HZ       LYS  70  16.232   0.824  -9.840
  542    H    LYS  71           H        LYS  71  18.055  -4.588 -13.834
  543    HA   LYS  71           HA       LYS  71  19.301  -6.480 -14.034
  544   1HB   LYS  71          2HB       LYS  71  20.372  -5.025 -16.457
  545   2HB   LYS  71          1HB       LYS  71  20.690  -6.714 -16.092
  546   1HG   LYS  71          2HG       LYS  71  18.786  -7.332 -17.034
  547   2HG   LYS  71          1HG       LYS  71  17.869  -6.224 -16.012
  548   1HD   LYS  71          2HD       LYS  71  17.422  -5.593 -18.251
  549   2HD   LYS  71          1HD       LYS  71  18.542  -4.388 -17.610
  550   1HE   LYS  71          2HE       LYS  71  19.656  -4.789 -19.527
  551   2HE   LYS  71          1HE       LYS  71  20.289  -6.167 -18.628
  552   1HZ   LYS  71          1HZ       LYS  71  18.920  -7.629 -19.735
  553   2HZ   LYS  71          2HZ       LYS  71  19.281  -6.524 -20.964
  554   3HZ   LYS  71          3HZ       LYS  71  17.793  -6.441 -20.166
  555    H    ARG  72           H        ARG  72  20.218  -4.830 -12.130
  556    HA   ARG  72           HA       ARG  72  23.138  -4.750 -12.486
  557   1HB   ARG  72          2HB       ARG  72  23.191  -3.131 -10.672
  558   2HB   ARG  72          1HB       ARG  72  22.084  -2.594 -11.928
  559   1HG   ARG  72          2HG       ARG  72  20.261  -3.702 -10.474
  560   2HG   ARG  72          1HG       ARG  72  21.473  -3.629  -9.192
  561   1HD   ARG  72          2HD       ARG  72  21.314  -1.116 -10.596
  562   2HD   ARG  72          1HD       ARG  72  19.726  -1.600 -10.003
  563    HE   ARG  72           HE       ARG  72  20.453  -1.266  -7.853
  564   1HH1  ARG  72          1HH1      ARG  72  23.200  -1.253 -10.005
  565   2HH1  ARG  72          2HH1      ARG  72  24.305  -0.699  -8.793
  566   1HH2  ARG  72          1HH2      ARG  72  21.906  -0.536  -6.258
  567   2HH2  ARG  72          2HH2      ARG  72  23.571  -0.292  -6.665
  568    H    LYS  73           H        LYS  73  24.480  -5.792 -11.075
  569    HA   LYS  73           HA       LYS  73  23.310  -7.936  -9.542
  570   1HB   LYS  73          2HB       LYS  73  25.685  -7.609 -10.907
  571   2HB   LYS  73          1HB       LYS  73  26.189  -7.517  -9.225
  572   1HG   LYS  73          2HG       LYS  73  25.036  -9.669  -8.810
  573   2HG   LYS  73          1HG       LYS  73  24.680  -9.768 -10.535
  574   1HD   LYS  73          2HD       LYS  73  27.134  -9.629 -10.974
  575   2HD   LYS  73          1HD       LYS  73  27.400  -9.731  -9.232
  576   1HE   LYS  73          2HE       LYS  73  25.676 -11.803 -10.460
  577   2HE   LYS  73          1HE       LYS  73  27.398 -11.873 -10.829
  578   1HZ   LYS  73          1HZ       LYS  73  26.347 -13.028  -8.704
  579   2HZ   LYS  73          2HZ       LYS  73  26.667 -11.508  -8.032
  580   3HZ   LYS  73          3HZ       LYS  73  27.924 -12.412  -8.712
  581    H    ASP  74           H        ASP  74  24.972  -8.264  -7.413
  582    HA   ASP  74           HA       ASP  74  24.802  -5.805  -5.832
  583   1HB   ASP  74          2HB       ASP  74  23.564  -8.459  -5.090
  584   2HB   ASP  74          1HB       ASP  74  23.860  -7.172  -3.924
  585    H    ASN  75           H        ASN  75  25.982  -6.000  -3.745
  586    HA   ASN  75           HA       ASN  75  28.580  -6.991  -4.181
  587   1HB   ASN  75          2HB       ASN  75  27.246  -6.050  -1.639
  588   2HB   ASN  75          1HB       ASN  75  28.970  -6.383  -1.790
  589   1HD2  ASN  75          1HD2      ASN  75  27.988  -3.919  -1.011
  590   2HD2  ASN  75          2HD2      ASN  75  28.346  -2.758  -2.239
  591    H    GLU  76           H        GLU  76  25.807  -8.297  -2.532
  592    HA   GLU  76           HA       GLU  76  27.288 -10.803  -2.140
  593   1HB   GLU  76          2HB       GLU  76  25.580  -9.307  -0.186
  594   2HB   GLU  76          1HB       GLU  76  25.714 -11.057  -0.074
  595   1HG   GLU  76          2HG       GLU  76  28.153 -10.839   0.116
  596   2HG   GLU  76          1HG       GLU  76  27.985  -9.085   0.059
  597    H    GLY  77           H        GLY  77  25.613 -10.087  -4.322
  598   1HA   GLY  77          2HA       GLY  77  23.846 -10.884  -5.557
  599   2HA   GLY  77          1HA       GLY  77  24.093 -12.371  -4.653
  600    H    ASN  78           H        ASN  78  23.108  -9.262  -3.321
  601    HA   ASN  78           HA       ASN  78  21.062 -10.295  -1.744
  602   1HB   ASN  78          2HB       ASN  78  21.422  -7.499  -2.836
  603   2HB   ASN  78          1HB       ASN  78  20.263  -7.931  -1.583
  604   1HD2  ASN  78          1HD2      ASN  78  22.215  -6.034  -1.177
  605   2HD2  ASN  78          2HD2      ASN  78  23.350  -6.624  -0.015
  606    H    GLU  79           H        GLU  79  19.764 -11.687  -2.959
  607    HA   GLU  79           HA       GLU  79  17.581 -10.381  -4.323
  608   1HB   GLU  79          2HB       GLU  79  19.342 -12.361  -5.779
  609   2HB   GLU  79          1HB       GLU  79  17.772 -11.816  -6.352
  610   1HG   GLU  79          2HG       GLU  79  18.635  -9.505  -6.413
  611   2HG   GLU  79          1HG       GLU  79  20.220 -10.115  -5.937
  612    H    VAL  80           H        VAL  80  17.506 -11.664  -1.940
  613    HA   VAL  80           HA       VAL  80  16.946 -14.423  -2.039
  614    HB   VAL  80           HB       VAL  80  15.815 -14.088   0.138
  615   1HG1  VAL  80          1HG1      VAL  80  18.527 -12.953  -0.392
  616   2HG1  VAL  80          2HG1      VAL  80  18.077 -14.456   0.415
  617   3HG1  VAL  80          3HG1      VAL  80  17.860 -12.912   1.240
  618   1HG2  VAL  80          1HG2      VAL  80  14.778 -11.929  -0.307
  619   2HG2  VAL  80          2HG2      VAL  80  16.367 -11.165  -0.366
  620   3HG2  VAL  80          3HG2      VAL  80  15.777 -11.855   1.146
  621    H    VAL  81           H        VAL  81  14.931 -11.578  -2.502
  622    HA   VAL  81           HA       VAL  81  12.742 -13.355  -3.351
  623    HB   VAL  81           HB       VAL  81  11.166 -11.527  -2.558
  624   1HG1  VAL  81          1HG1      VAL  81  11.159 -13.534  -1.343
  625   2HG1  VAL  81          2HG1      VAL  81  11.381 -12.274  -0.128
  626   3HG1  VAL  81          3HG1      VAL  81  12.760 -13.231  -0.667
  627   1HG2  VAL  81          1HG2      VAL  81  13.377 -10.044  -2.193
  628   2HG2  VAL  81          2HG2      VAL  81  13.174 -10.687  -0.564
  629   3HG2  VAL  81          3HG2      VAL  81  11.870  -9.771  -1.318
  630    HA   PRO  82           HA       PRO  82  14.092 -10.458  -6.791
  631   1HB   PRO  82          2HB       PRO  82  13.253 -12.870  -8.310
  632   2HB   PRO  82          1HB       PRO  82  14.686 -11.853  -8.510
  633   1HG   PRO  82          2HG       PRO  82  14.874 -14.274  -7.410
  634   2HG   PRO  82          1HG       PRO  82  15.843 -12.918  -6.806
  635   1HD   PRO  82          2HD       PRO  82  13.377 -14.152  -5.648
  636   2HD   PRO  82          1HD       PRO  82  14.822 -13.526  -4.824
  637    H    LYS  83           H        LYS  83  12.666 -10.660  -9.119
  638    HA   LYS  83           HA       LYS  83  10.712 -10.042 -10.102
  639   1HB   LYS  83          2HB       LYS  83   9.907 -12.004  -8.048
  640   2HB   LYS  83          1HB       LYS  83   8.619 -10.956  -8.629
  641   1HG   LYS  83          2HG       LYS  83   8.487 -12.778 -10.042
  642   2HG   LYS  83          1HG       LYS  83   9.441 -11.626 -10.980
  643   1HD   LYS  83          2HD       LYS  83  11.393 -12.930  -9.621
  644   2HD   LYS  83          1HD       LYS  83  10.205 -14.220  -9.817
  645   1HE   LYS  83          2HE       LYS  83  10.155 -13.293 -12.297
  646   2HE   LYS  83          1HE       LYS  83  11.774 -12.745 -11.867
  647   1HZ   LYS  83          1HZ       LYS  83  11.890 -14.913 -12.857
  648   2HZ   LYS  83          2HZ       LYS  83  10.771 -15.538 -11.754
  649   3HZ   LYS  83          3HZ       LYS  83  12.299 -15.044 -11.221
  650    HA   PRO  84           HA       PRO  84   9.207  -6.315  -8.313
  651   1HB   PRO  84          2HB       PRO  84   6.523  -6.346  -8.876
  652   2HB   PRO  84          1HB       PRO  84   7.776  -5.946 -10.055
  653   1HG   PRO  84          2HG       PRO  84   6.334  -8.531  -9.625
  654   2HG   PRO  84          1HG       PRO  84   6.767  -7.729 -11.147
  655   1HD   PRO  84          2HD       PRO  84   8.184  -9.801 -10.190
  656   2HD   PRO  84          1HD       PRO  84   8.963  -8.458 -11.052
  657    H    GLN  85           H        GLN  85   8.757  -5.704  -6.291
  658    HA   GLN  85           HA       GLN  85   7.606  -7.603  -4.450
  659   1HB   GLN  85          2HB       GLN  85   8.160  -5.970  -2.727
  660   2HB   GLN  85          1HB       GLN  85   9.532  -6.214  -3.799
  661   1HG   GLN  85          2HG       GLN  85   8.983  -4.146  -4.977
  662   2HG   GLN  85          1HG       GLN  85   7.607  -3.901  -3.900
  663   1HE2  GLN  85          1HE2      GLN  85   9.321  -1.903  -4.014
  664   2HE2  GLN  85          2HE2      GLN  85  10.317  -1.827  -2.605
  665    H    ARG  86           H        ARG  86   5.555  -7.686  -3.800
  666    HA   ARG  86           HA       ARG  86   3.808  -5.395  -4.427
  667   1HB   ARG  86          2HB       ARG  86   3.102  -8.335  -4.356
  668   2HB   ARG  86          1HB       ARG  86   1.968  -7.026  -4.657
  669   1HG   ARG  86          2HG       ARG  86   3.186  -6.430  -6.688
  670   2HG   ARG  86          1HG       ARG  86   4.329  -7.740  -6.385
  671   1HD   ARG  86          2HD       ARG  86   2.421  -9.336  -6.471
  672   2HD   ARG  86          1HD       ARG  86   1.377  -7.995  -6.940
  673    HE   ARG  86           HE       ARG  86   3.476  -7.994  -8.731
  674   1HH1  ARG  86          1HH1      ARG  86   0.948 -10.206  -7.782
  675   2HH1  ARG  86          2HH1      ARG  86   0.852 -10.960  -9.338
  676   1HH2  ARG  86          1HH2      ARG  86   3.351  -8.985 -10.777
  677   2HH2  ARG  86          2HH2      ARG  86   2.216 -10.267 -11.039
  678    H    HIS  87           H        HIS  87   2.529  -4.587  -2.854
  679    HA   HIS  87           HA       HIS  87   2.857  -5.723  -0.171
  680   1HB   HIS  87          2HB       HIS  87   2.320  -2.996  -1.238
  681   2HB   HIS  87          1HB       HIS  87   1.638  -3.400   0.334
  682    HD1  HIS  87           HD1      HIS  87   3.164  -3.185   2.291
  683    HD2  HIS  87           HD2      HIS  87   5.231  -3.299  -1.311
  684    HE1  HIS  87           HE1      HIS  87   5.564  -2.721   2.881
  685    HE2  HIS  87           HE2      HIS  87   6.783  -2.711   0.674
  686    H    MET  88           H        MET  88   1.316  -7.130   0.359
  687    HA   MET  88           HA       MET  88  -1.423  -6.662  -0.587
  688   1HB   MET  88          2HB       MET  88  -0.396  -8.865  -1.073
  689   2HB   MET  88          1HB       MET  88  -0.224  -9.148   0.654
  690   1HG   MET  88          2HG       MET  88  -2.688  -8.973   0.871
  691   2HG   MET  88          1HG       MET  88  -2.792  -8.851  -0.884
  692   1HE   MET  88          1HE       MET  88  -1.691 -12.567   1.574
  693   2HE   MET  88          2HE       MET  88  -2.160 -10.984   2.193
  694   3HE   MET  88          3HE       MET  88  -0.552 -11.222   1.508
  695    H    PHE  89           H        PHE  89  -2.882  -5.866   0.761
  696    HA   PHE  89           HA       PHE  89  -2.365  -6.040   3.654
  697   1HB   PHE  89          2HB       PHE  89  -3.825  -3.969   2.018
  698   2HB   PHE  89          1HB       PHE  89  -3.932  -4.046   3.774
  699    HD1  PHE  89           HD1      PHE  89  -2.041  -2.893   0.973
  700    HD2  PHE  89           HD2      PHE  89  -1.800  -3.845   5.111
  701    HE1  PHE  89           HE1      PHE  89   0.018  -1.561   1.152
  702    HE2  PHE  89           HE2      PHE  89   0.263  -2.511   5.300
  703    HZ   PHE  89           HZ       PHE  89   1.174  -1.367   3.318
  704    H    SER  90           H        SER  90  -4.143  -6.366   5.070
  705    HA   SER  90           HA       SER  90  -6.417  -7.746   3.796
  706   1HB   SER  90          2HB       SER  90  -6.072  -8.475   6.572
  707   2HB   SER  90          1HB       SER  90  -6.078  -9.509   5.143
  708    HG   SER  90           HG       SER  90  -3.903  -9.231   4.931
  709    H    PHE  91           H        PHE  91  -8.265  -6.670   3.976
  710    HA   PHE  91           HA       PHE  91  -8.551  -4.680   6.092
  711   1HB   PHE  91          2HB       PHE  91  -9.839  -5.122   3.432
  712   2HB   PHE  91          1HB       PHE  91 -10.697  -4.189   4.657
  713    HD1  PHE  91           HD1      PHE  91  -7.726  -4.323   2.516
  714    HD2  PHE  91           HD2      PHE  91  -9.976  -2.018   5.293
  715    HE1  PHE  91           HE1      PHE  91  -6.420  -2.332   1.904
  716    HE2  PHE  91           HE2      PHE  91  -8.676  -0.012   4.688
  717    HZ   PHE  91           HZ       PHE  91  -6.894  -0.168   2.991
  718    H    ASN  92           H        ASN  92 -10.048  -4.760   7.652
  719    HA   ASN  92           HA       ASN  92 -11.582  -7.238   7.897
  720   1HB   ASN  92          2HB       ASN  92 -10.906  -5.088   9.914
  721   2HB   ASN  92          1HB       ASN  92 -11.920  -6.485  10.263
  722   1HD2  ASN  92          1HD2      ASN  92  -9.576  -5.899  11.645
  723   2HD2  ASN  92          2HD2      ASN  92  -8.420  -7.140  11.320
  724    H    ASN  93           H        ASN  93 -12.128  -4.498   6.386
  725    HA   ASN  93           HA       ASN  93 -14.966  -4.619   6.832
  726   1HB   ASN  93          2HB       ASN  93 -14.030  -2.987   8.550
  727   2HB   ASN  93          1HB       ASN  93 -13.627  -1.945   7.190
  728   1HD2  ASN  93          1HD2      ASN  93 -15.175  -0.748   8.831
  729   2HD2  ASN  93          2HD2      ASN  93 -16.830  -0.731   8.336
  730    H    ARG  94           H        ARG  94 -15.959  -4.457   4.945
  731    HA   ARG  94           HA       ARG  94 -14.597  -3.981   2.542
  732   1HB   ARG  94          2HB       ARG  94 -16.702  -5.295   2.762
  733   2HB   ARG  94          1HB       ARG  94 -17.575  -3.791   3.025
  734   1HG   ARG  94          2HG       ARG  94 -17.010  -3.024   0.809
  735   2HG   ARG  94          1HG       ARG  94 -16.010  -4.454   0.540
  736   1HD   ARG  94          2HD       ARG  94 -18.092  -4.829  -0.554
  737   2HD   ARG  94          1HD       ARG  94 -18.066  -5.844   0.888
  738    HE   ARG  94           HE       ARG  94 -19.298  -3.379   1.481
  739   1HH1  ARG  94          1HH1      ARG  94 -19.871  -6.342  -0.271
  740   2HH1  ARG  94          2HH1      ARG  94 -21.593  -6.255  -0.102
  741   1HH2  ARG  94          1HH2      ARG  94 -21.561  -3.263   1.704
  742   2HH2  ARG  94          2HH2      ARG  94 -22.553  -4.506   1.019
  743    H    THR  95           H        THR  95 -16.620  -1.870   4.541
  744    HA   THR  95           HA       THR  95 -16.718   0.293   2.782
  745    HB   THR  95           HB       THR  95 -16.718   0.808   5.683
  746    HG1  THR  95           HG1      THR  95 -18.591  -0.933   4.470
  747   1HG2  THR  95          1HG2      THR  95 -18.829   1.260   3.610
  748   2HG2  THR  95          2HG2      THR  95 -17.578   2.428   4.032
  749   3HG2  THR  95          3HG2      THR  95 -18.772   1.940   5.234
  750    H    VAL  96           H        VAL  96 -14.517  -0.551   5.376
  751    HA   VAL  96           HA       VAL  96 -12.963   1.813   5.203
  752    HB   VAL  96           HB       VAL  96 -12.182  -0.863   6.363
  753   1HG1  VAL  96          1HG1      VAL  96 -10.161   0.195   6.261
  754   2HG1  VAL  96          2HG1      VAL  96 -10.751   0.843   7.791
  755   3HG1  VAL  96          3HG1      VAL  96 -10.877   1.806   6.320
  756   1HG2  VAL  96          1HG2      VAL  96 -13.240  -0.341   8.289
  757   2HG2  VAL  96          2HG2      VAL  96 -14.243   0.640   7.219
  758   3HG2  VAL  96          3HG2      VAL  96 -12.923   1.385   8.121
  759    H    MET  97           H        MET  97 -12.851  -1.315   3.691
  760    HA   MET  97           HA       MET  97 -10.257  -0.939   2.528
  761   1HB   MET  97          2HB       MET  97 -10.442  -3.076   1.751
  762   2HB   MET  97          1HB       MET  97 -11.647  -3.148   3.025
  763   1HG   MET  97          2HG       MET  97 -12.911  -4.036   1.403
  764   2HG   MET  97          1HG       MET  97 -13.192  -2.351   0.978
  765   1HE   MET  97          1HE       MET  97 -12.910  -5.441  -0.094
  766   2HE   MET  97          2HE       MET  97 -11.277  -5.753  -0.686
  767   3HE   MET  97          3HE       MET  97 -12.551  -5.288  -1.815
  768    H    ASP  98           H        ASP  98 -13.556  -0.289   1.589
  769    HA   ASP  98           HA       ASP  98 -12.919   0.241  -1.149
  770   1HB   ASP  98          2HB       ASP  98 -15.169  -0.537  -0.398
  771   2HB   ASP  98          1HB       ASP  98 -15.400   1.022   0.389
  772    H    ASN  99           H        ASN  99 -13.054   2.038   1.798
  773    HA   ASN  99           HA       ASN  99 -13.155   4.622   0.621
  774   1HB   ASN  99          2HB       ASN  99 -12.320   3.712   3.375
  775   2HB   ASN  99          1HB       ASN  99 -12.453   5.402   2.900
  776   1HD2  ASN  99          1HD2      ASN  99 -13.896   4.341   4.997
  777   2HD2  ASN  99          2HD2      ASN  99 -15.573   4.331   4.584
  778    H    ILE 100           H        ILE 100 -10.640   2.410   1.500
  779    HA   ILE 100           HA       ILE 100  -8.518   4.338   1.075
  780    HB   ILE 100           HB       ILE 100  -8.354   1.363   1.570
  781   1HG1  ILE 100          2HG1      ILE 100  -9.393   2.704   3.415
  782   2HG1  ILE 100          1HG1      ILE 100  -7.896   1.896   3.870
  783   1HG2  ILE 100          1HG2      ILE 100  -6.001   1.873   2.203
  784   2HG2  ILE 100          2HG2      ILE 100  -6.237   3.504   1.573
  785   3HG2  ILE 100          3HG2      ILE 100  -6.357   2.115   0.493
  786   1HD1  ILE 100          1HD1      ILE 100  -8.130   4.220   4.718
  787   2HD1  ILE 100          2HD1      ILE 100  -8.055   4.782   3.048
  788   3HD1  ILE 100          3HD1      ILE 100  -6.678   3.938   3.757
  789    H    LYS 101           H        LYS 101  -9.785   1.428  -0.504
  790    HA   LYS 101           HA       LYS 101  -7.932   1.237  -2.573
  791   1HB   LYS 101          2HB       LYS 101  -9.581  -0.510  -2.042
  792   2HB   LYS 101          1HB       LYS 101 -10.870   0.528  -2.639
  793   1HG   LYS 101          2HG       LYS 101  -9.997   0.425  -4.871
  794   2HG   LYS 101          1HG       LYS 101  -8.572  -0.454  -4.317
  795   1HD   LYS 101          2HD       LYS 101 -10.044  -2.059  -5.266
  796   2HD   LYS 101          1HD       LYS 101 -10.133  -2.260  -3.515
  797   1HE   LYS 101          2HE       LYS 101 -12.338  -2.313  -4.722
  798   2HE   LYS 101          1HE       LYS 101 -12.224  -1.146  -3.406
  799   1HZ   LYS 101          1HZ       LYS 101 -11.599  -0.290  -6.147
  800   2HZ   LYS 101          2HZ       LYS 101 -12.196   0.617  -4.851
  801   3HZ   LYS 101          3HZ       LYS 101 -13.218  -0.446  -5.680
  802    H    MET 102           H        MET 102 -10.822   3.232  -2.285
  803    HA   MET 102           HA       MET 102 -10.647   4.161  -5.002
  804   1HB   MET 102          2HB       MET 102 -12.359   5.044  -2.682
  805   2HB   MET 102          1HB       MET 102 -12.481   5.719  -4.301
  806   1HG   MET 102          2HG       MET 102 -12.996   3.443  -5.147
  807   2HG   MET 102          1HG       MET 102 -13.020   2.876  -3.478
  808   1HE   MET 102          1HE       MET 102 -14.238   5.357  -2.002
  809   2HE   MET 102          2HE       MET 102 -14.862   3.746  -1.651
  810   3HE   MET 102          3HE       MET 102 -15.977   5.061  -2.022
  811    H    THR 103           H        THR 103  -9.878   5.418  -1.825
  812    HA   THR 103           HA       THR 103  -9.149   8.004  -2.723
  813    HB   THR 103           HB       THR 103  -9.742   7.199  -0.323
  814    HG1  THR 103           HG1      THR 103  -7.590   8.995  -0.734
  815   1HG2  THR 103          1HG2      THR 103  -8.205   6.302   1.031
  816   2HG2  THR 103          2HG2      THR 103  -6.872   7.173   0.273
  817   3HG2  THR 103          3HG2      THR 103  -7.505   5.707  -0.473
  818    H    LEU 104           H        LEU 104  -7.450   4.978  -2.406
  819    HA   LEU 104           HA       LEU 104  -4.829   6.053  -2.696
  820   1HB   LEU 104          2HB       LEU 104  -5.999   3.303  -3.009
  821   2HB   LEU 104          1HB       LEU 104  -4.320   3.624  -3.404
  822    HG   LEU 104           HG       LEU 104  -5.609   3.993  -0.698
  823   1HD1  LEU 104          1HD1      LEU 104  -3.575   1.996  -1.679
  824   2HD1  LEU 104          2HD1      LEU 104  -5.263   1.655  -1.296
  825   3HD1  LEU 104          3HD1      LEU 104  -4.152   2.155  -0.020
  826   1HD2  LEU 104          1HD2      LEU 104  -3.938   5.671  -0.948
  827   2HD2  LEU 104          2HD2      LEU 104  -2.809   4.527  -1.672
  828   3HD2  LEU 104          3HD2      LEU 104  -3.243   4.380   0.031
  829    H    GLN 105           H        GLN 105  -7.361   5.108  -4.894
  830    HA   GLN 105           HA       GLN 105  -5.782   4.904  -7.228
  831   1HB   GLN 105          2HB       GLN 105  -8.709   5.328  -6.728
  832   2HB   GLN 105          1HB       GLN 105  -8.059   5.405  -8.361
  833   1HG   GLN 105          2HG       GLN 105  -7.230   3.137  -8.164
  834   2HG   GLN 105          1HG       GLN 105  -7.806   3.053  -6.501
  835   1HE2  GLN 105          1HE2      GLN 105  -8.458   1.615  -9.098
  836   2HE2  GLN 105          2HE2      GLN 105 -10.185   1.652  -9.168
  837    H    GLN 106           H        GLN 106  -7.271   7.583  -5.575
  838    HA   GLN 106           HA       GLN 106  -7.050   9.458  -7.677
  839   1HB   GLN 106          2HB       GLN 106  -7.822  11.024  -6.187
  840   2HB   GLN 106          1HB       GLN 106  -8.343   9.559  -5.370
  841   1HG   GLN 106          2HG       GLN 106  -6.073   9.736  -4.136
  842   2HG   GLN 106          1HG       GLN 106  -6.102  11.410  -4.686
  843   1HE2  GLN 106          1HE2      GLN 106  -7.222  12.845  -3.549
  844   2HE2  GLN 106          2HE2      GLN 106  -8.311  12.472  -2.261
  845    H    ILE 107           H        ILE 107  -4.869   8.494  -5.078
  846    HA   ILE 107           HA       ILE 107  -2.911  10.467  -5.446
  847    HB   ILE 107           HB       ILE 107  -2.584   7.600  -4.540
  848   1HG1  ILE 107          2HG1      ILE 107  -2.668  10.097  -2.849
  849   2HG1  ILE 107          1HG1      ILE 107  -4.115   9.168  -3.230
  850   1HG2  ILE 107          1HG2      ILE 107  -0.615   9.537  -5.186
  851   2HG2  ILE 107          2HG2      ILE 107  -0.395   7.927  -4.501
  852   3HG2  ILE 107          3HG2      ILE 107  -0.614   9.316  -3.436
  853   1HD1  ILE 107          1HD1      ILE 107  -2.119   8.706  -1.225
  854   2HD1  ILE 107          2HD1      ILE 107  -2.266   7.306  -2.290
  855   3HD1  ILE 107          3HD1      ILE 107  -3.687   7.931  -1.452
  856    H    ILE 108           H        ILE 108  -3.376   7.309  -6.944
  857    HA   ILE 108           HA       ILE 108  -1.092   7.090  -8.493
  858    HB   ILE 108           HB       ILE 108  -3.801   6.375  -9.571
  859   1HG1  ILE 108          2HG1      ILE 108  -3.943   5.526  -7.376
  860   2HG1  ILE 108          1HG1      ILE 108  -3.462   4.159  -8.371
  861   1HG2  ILE 108          1HG2      ILE 108  -1.016   5.364  -9.947
  862   2HG2  ILE 108          2HG2      ILE 108  -2.185   5.907 -11.150
  863   3HG2  ILE 108          3HG2      ILE 108  -2.411   4.357 -10.338
  864   1HD1  ILE 108          1HD1      ILE 108  -1.562   5.824  -6.744
  865   2HD1  ILE 108          2HD1      ILE 108  -1.199   4.330  -7.608
  866   3HD1  ILE 108          3HD1      ILE 108  -2.274   4.302  -6.209
  867    H    SER 109           H        SER 109  -4.170   8.507  -9.331
  868    HA   SER 109           HA       SER 109  -3.544   9.448 -11.875
  869   1HB   SER 109          2HB       SER 109  -5.445  10.721  -9.898
  870   2HB   SER 109          1HB       SER 109  -5.460  10.942 -11.648
  871    HG   SER 109           HG       SER 109  -6.279   8.979 -11.910
  872    H    ARG 110           H        ARG 110  -2.801  10.759  -8.755
  873    HA   ARG 110           HA       ARG 110  -2.094  13.359  -9.647
  874   1HB   ARG 110          2HB       ARG 110  -1.236  11.925  -7.133
  875   2HB   ARG 110          1HB       ARG 110  -1.111  13.653  -7.429
  876   1HG   ARG 110          2HG       ARG 110  -3.804  12.498  -7.715
  877   2HG   ARG 110          1HG       ARG 110  -3.130  12.505  -6.084
  878   1HD   ARG 110          2HD       ARG 110  -3.013  14.810  -5.999
  879   2HD   ARG 110          1HD       ARG 110  -2.983  14.976  -7.754
  880    HE   ARG 110           HE       ARG 110  -5.450  13.898  -6.785
  881   1HH1  ARG 110          1HH1      ARG 110  -3.673  16.852  -7.327
  882   2HH1  ARG 110          2HH1      ARG 110  -5.094  17.831  -7.458
  883   1HH2  ARG 110          1HH2      ARG 110  -7.323  15.184  -6.958
  884   2HH2  ARG 110          2HH2      ARG 110  -7.167  16.885  -7.247
  885    H    TYR 111           H        TYR 111  -0.399  10.346  -9.271
  886    HA   TYR 111           HA       TYR 111   2.218  11.420  -9.587
  887   1HB   TYR 111          2HB       TYR 111   1.038   8.674  -9.652
  888   2HB   TYR 111          1HB       TYR 111   2.673   8.915 -10.258
  889    HD1  TYR 111           HD1      TYR 111   4.407   9.894  -8.707
  890    HD2  TYR 111           HD2      TYR 111   0.604   8.566  -7.336
  891    HE1  TYR 111           HE1      TYR 111   5.278   9.791  -6.410
  892    HE2  TYR 111           HE2      TYR 111   1.467   8.457  -5.035
  893    HH   TYR 111           HH       TYR 111   3.592   8.260  -3.871
  894    H    LYS 112           H        LYS 112  -0.280  10.402 -11.750
  895    HA   LYS 112           HA       LYS 112   1.322  10.148 -14.077
  896   1HB   LYS 112          2HB       LYS 112  -1.642  10.623 -13.736
  897   2HB   LYS 112          1HB       LYS 112  -0.867  10.305 -15.283
  898   1HG   LYS 112          2HG       LYS 112  -0.072   8.134 -14.371
  899   2HG   LYS 112          1HG       LYS 112  -1.021   8.453 -12.917
  900   1HD   LYS 112          2HD       LYS 112  -2.563   8.799 -15.360
  901   2HD   LYS 112          1HD       LYS 112  -1.906   7.169 -15.201
  902   1HE   LYS 112          2HE       LYS 112  -2.818   7.581 -12.693
  903   2HE   LYS 112          1HE       LYS 112  -3.968   8.550 -13.612
  904   1HZ   LYS 112          1HZ       LYS 112  -3.392   5.658 -13.937
  905   2HZ   LYS 112          2HZ       LYS 112  -4.327   6.551 -15.028
  906   3HZ   LYS 112          3HZ       LYS 112  -4.841   6.368 -13.427
  907    H    ASP 113           H        ASP 113  -0.534  12.777 -12.633
  908    HA   ASP 113           HA       ASP 113  -0.362  14.618 -14.731
  909   1HB   ASP 113          2HB       ASP 113  -1.798  14.849 -12.693
  910   2HB   ASP 113          1HB       ASP 113  -0.353  15.263 -11.777
  911    H    ALA 114           H        ALA 114   1.907  13.823 -12.163
  912    HA   ALA 114           HA       ALA 114   3.684  15.966 -12.492
  913   1HB   ALA 114          1HB       ALA 114   3.654  14.327 -10.594
  914   2HB   ALA 114          2HB       ALA 114   5.254  14.684 -11.243
  915   3HB   ALA 114          3HB       ALA 114   4.450  13.173 -11.665
  916    H    ASP 115           H        ASP 115   3.304  12.969 -14.256
  917    HA   ASP 115           HA       ASP 115   5.425  13.853 -16.099
  918   1HB   ASP 115          2HB       ASP 115   4.810  11.033 -15.200
  919   2HB   ASP 115          1HB       ASP 115   5.882  11.427 -16.540
  Start of MODEL    9
    1    HT1  PRO   1           HT2      PRO   1 -10.354  12.335   6.921
    2    HT2  PRO   1           HT1      PRO   1 -10.870  11.516   5.518
    3    HA   PRO   1           HA       PRO   1 -10.659  10.592   8.095
    4   1HB   PRO   1          2HB       PRO   1 -13.248   9.702   7.721
    5   2HB   PRO   1          1HB       PRO   1 -12.755  10.971   8.850
    6   1HG   PRO   1          2HG       PRO   1 -13.933  11.214   6.123
    7   2HG   PRO   1          1HG       PRO   1 -14.164  12.247   7.542
    8   1HD   PRO   1          2HD       PRO   1 -12.584  12.955   5.441
    9   2HD   PRO   1          1HD       PRO   1 -12.266  13.488   7.104
   10    H    SER   2           H        SER   2 -12.140  10.156   4.943
   11    HA   SER   2           HA       SER   2 -12.042   7.369   4.798
   12   1HB   SER   2          2HB       SER   2 -11.759   9.329   2.508
   13   2HB   SER   2          1HB       SER   2 -12.248   7.640   2.380
   14    HG   SER   2           HG       SER   2 -14.178   8.462   2.578
   15    H    HIS   3           H        HIS   3  -9.584   9.792   4.190
   16    HA   HIS   3           HA       HIS   3  -7.713   8.223   2.837
   17   1HB   HIS   3          2HB       HIS   3  -7.463  10.635   4.614
   18   2HB   HIS   3          1HB       HIS   3  -6.034   9.854   3.944
   19    HD1  HIS   3           HD1      HIS   3  -9.061  11.829   2.933
   20    HD2  HIS   3           HD2      HIS   3  -5.582  10.313   1.241
   21    HE1  HIS   3           HE1      HIS   3  -8.902  12.893   0.660
   22    HE2  HIS   3           HE2      HIS   3  -6.740  12.030  -0.308
   23    H    SER   4           H        SER   4  -8.650   8.244   6.151
   24    HA   SER   4           HA       SER   4  -6.448   6.391   6.788
   25   1HB   SER   4          2HB       SER   4  -6.780   7.072   9.165
   26   2HB   SER   4          1HB       SER   4  -6.264   8.402   8.127
   27    HG   SER   4           HG       SER   4  -8.348   9.183   8.118
   28    H    GLY   5           H        GLY   5  -6.959   4.383   7.328
   29   1HA   GLY   5          2HA       GLY   5  -9.483   3.736   8.582
   30   2HA   GLY   5          1HA       GLY   5  -9.321   3.140   6.936
   31    H    ALA   6           H        ALA   6  -9.563   1.608   9.412
   32    HA   ALA   6           HA       ALA   6  -7.064   0.567  10.187
   33   1HB   ALA   6          1HB       ALA   6  -8.337  -1.291  11.155
   34   2HB   ALA   6          2HB       ALA   6  -9.789  -0.705  10.340
   35   3HB   ALA   6          3HB       ALA   6  -9.016   0.281  11.583
   36    H    ALA   7           H        ALA   7  -5.876  -1.131   9.489
   37    HA   ALA   7           HA       ALA   7  -6.856  -2.936   7.477
   38   1HB   ALA   7          1HB       ALA   7  -5.215  -2.382   5.771
   39   2HB   ALA   7          2HB       ALA   7  -4.606  -1.061   6.771
   40   3HB   ALA   7          3HB       ALA   7  -6.244  -0.992   6.119
   41    H    ILE   8           H        ILE   8  -5.567  -4.784   7.189
   42    HA   ILE   8           HA       ILE   8  -3.595  -5.196   9.311
   43    HB   ILE   8           HB       ILE   8  -4.746  -7.241   7.424
   44   1HG1  ILE   8          2HG1      ILE   8  -5.636  -6.783  10.261
   45   2HG1  ILE   8          1HG1      ILE   8  -6.438  -6.018   8.888
   46   1HG2  ILE   8          1HG2      ILE   8  -3.720  -7.888  10.137
   47   2HG2  ILE   8          2HG2      ILE   8  -2.557  -7.579   8.850
   48   3HG2  ILE   8          3HG2      ILE   8  -3.743  -8.868   8.671
   49   1HD1  ILE   8          1HD1      ILE   8  -7.240  -8.002   8.081
   50   2HD1  ILE   8          2HD1      ILE   8  -7.331  -8.258   9.827
   51   3HD1  ILE   8          3HD1      ILE   8  -6.001  -8.960   8.897
   52    H    PHE   9           H        PHE   9  -1.528  -5.841   8.951
   53    HA   PHE   9           HA       PHE   9  -0.613  -6.280   6.225
   54   1HB   PHE   9          2HB       PHE   9  -0.329  -3.869   6.535
   55   2HB   PHE   9          1HB       PHE   9   0.579  -4.153   8.013
   56    HD1  PHE   9           HD1      PHE   9   2.821  -3.789   7.791
   57    HD2  PHE   9           HD2      PHE   9   0.680  -5.463   4.521
   58    HE1  PHE   9           HE1      PHE   9   4.907  -3.900   6.491
   59    HE2  PHE   9           HE2      PHE   9   2.761  -5.580   3.211
   60    HZ   PHE   9           HZ       PHE   9   4.879  -4.798   4.197
   61    H    GLU  10           H        GLU  10   0.183  -8.252   6.466
   62    HA   GLU  10           HA       GLU  10   1.678  -9.875   7.022
   63   1HB   GLU  10          2HB       GLU  10   2.779  -7.994   9.106
   64   2HB   GLU  10          1HB       GLU  10   3.549  -9.436   8.466
   65   1HG   GLU  10          2HG       GLU  10   3.643  -8.355   6.248
   66   2HG   GLU  10          1HG       GLU  10   2.977  -6.891   6.968
   67    H    LYS  11           H        LYS  11  -0.824 -10.090   7.950
   68    HA   LYS  11           HA       LYS  11  -2.114 -11.189   9.424
   69   1HB   LYS  11          2HB       LYS  11   0.626 -12.093  10.091
   70   2HB   LYS  11          1HB       LYS  11  -0.689 -12.564  11.159
   71   1HG   LYS  11          2HG       LYS  11  -1.058 -12.954   8.246
   72   2HG   LYS  11          1HG       LYS  11   0.057 -14.035   9.088
   73   1HD   LYS  11          2HD       LYS  11  -2.557 -13.583  10.389
   74   2HD   LYS  11          1HD       LYS  11  -2.588 -14.493   8.879
   75   1HE   LYS  11          2HE       LYS  11  -0.846 -15.996   9.822
   76   2HE   LYS  11          1HE       LYS  11  -0.990 -15.136  11.354
   77   1HZ   LYS  11          1HZ       LYS  11  -2.784 -17.065  10.134
   78   2HZ   LYS  11          2HZ       LYS  11  -3.532 -15.754  10.898
   79   3HZ   LYS  11          3HZ       LYS  11  -2.479 -16.750  11.769
   80    H    VAL  12           H        VAL  12  -0.762  -8.445  10.171
   81    HA   VAL  12           HA       VAL  12  -1.730  -8.503  12.922
   82    HB   VAL  12           HB       VAL  12   0.578  -6.866  11.871
   83   1HG1  VAL  12          1HG1      VAL  12  -0.829  -5.647  13.504
   84   2HG1  VAL  12          2HG1      VAL  12   0.801  -5.964  14.096
   85   3HG1  VAL  12          3HG1      VAL  12  -0.550  -6.945  14.665
   86   1HG2  VAL  12          1HG2      VAL  12   1.620  -8.835  12.284
   87   2HG2  VAL  12          2HG2      VAL  12   0.383  -9.375  13.420
   88   3HG2  VAL  12          3HG2      VAL  12   1.605  -8.213  13.935
   89    H    SER  13           H        SER  13  -3.128  -6.859  13.482
   90    HA   SER  13           HA       SER  13  -4.014  -5.207  11.229
   91   1HB   SER  13          2HB       SER  13  -5.689  -6.674  12.326
   92   2HB   SER  13          1HB       SER  13  -5.445  -5.790  13.833
   93    HG   SER  13           HG       SER  13  -6.496  -4.811  11.392
   94    H    GLY  14           H        GLY  14  -4.354  -3.043  11.374
   95   1HA   GLY  14          2HA       GLY  14  -3.861  -1.534  13.755
   96   2HA   GLY  14          1HA       GLY  14  -2.514  -1.457  12.624
   97    H    ILE  15           H        ILE  15  -3.474   0.908  13.008
   98    HA   ILE  15           HA       ILE  15  -5.649   1.422  11.142
   99    HB   ILE  15           HB       ILE  15  -4.210   3.245  13.061
  100   1HG1  ILE  15          2HG1      ILE  15  -6.353   1.399  13.332
  101   2HG1  ILE  15          1HG1      ILE  15  -5.723   2.514  14.541
  102   1HG2  ILE  15          1HG2      ILE  15  -6.429   3.858  11.113
  103   2HG2  ILE  15          2HG2      ILE  15  -4.821   4.582  11.172
  104   3HG2  ILE  15          3HG2      ILE  15  -5.980   4.904  12.461
  105   1HD1  ILE  15          1HD1      ILE  15  -7.968   2.997  12.602
  106   2HD1  ILE  15          2HD1      ILE  15  -7.272   4.245  13.636
  107   3HD1  ILE  15          3HD1      ILE  15  -8.071   2.848  14.355
  108    H    ILE  16           H        ILE  16  -5.374   2.094   9.162
  109    HA   ILE  16           HA       ILE  16  -2.687   2.797   8.249
  110    HB   ILE  16           HB       ILE  16  -4.904   1.266   7.174
  111   1HG1  ILE  16          2HG1      ILE  16  -2.010   1.654   6.419
  112   2HG1  ILE  16          1HG1      ILE  16  -2.714   0.357   7.373
  113   1HG2  ILE  16          1HG2      ILE  16  -3.821   3.466   5.423
  114   2HG2  ILE  16          2HG2      ILE  16  -5.503   3.131   5.829
  115   3HG2  ILE  16          3HG2      ILE  16  -4.609   2.021   4.792
  116   1HD1  ILE  16          1HD1      ILE  16  -2.966  -0.855   5.546
  117   2HD1  ILE  16          2HD1      ILE  16  -2.265   0.448   4.587
  118   3HD1  ILE  16          3HD1      ILE  16  -4.007   0.387   4.852
  119    H    ALA  17           H        ALA  17  -2.221   4.843   7.822
  120    HA   ALA  17           HA       ALA  17  -4.411   6.681   7.110
  121   1HB   ALA  17          1HB       ALA  17  -3.681   7.201   9.350
  122   2HB   ALA  17          2HB       ALA  17  -3.150   8.474   8.250
  123   3HB   ALA  17          3HB       ALA  17  -2.000   7.267   8.822
  124    H    ILE  18           H        ILE  18  -4.039   8.116   5.462
  125    HA   ILE  18           HA       ILE  18  -1.587   7.649   3.920
  126    HB   ILE  18           HB       ILE  18  -4.406   8.105   3.198
  127   1HG1  ILE  18          2HG1      ILE  18  -2.181   6.930   1.541
  128   2HG1  ILE  18          1HG1      ILE  18  -2.959   6.029   2.840
  129   1HG2  ILE  18          1HG2      ILE  18  -3.754  10.164   2.320
  130   2HG2  ILE  18          2HG2      ILE  18  -3.684   9.062   0.944
  131   3HG2  ILE  18          3HG2      ILE  18  -2.199   9.544   1.766
  132   1HD1  ILE  18          1HD1      ILE  18  -4.245   5.319   1.131
  133   2HD1  ILE  18          2HD1      ILE  18  -3.973   6.775   0.173
  134   3HD1  ILE  18          3HD1      ILE  18  -5.133   6.797   1.503
  135    H    ASN  19           H        ASN  19  -0.093   9.149   4.283
  136    HA   ASN  19           HA       ASN  19  -0.935  11.916   4.785
  137   1HB   ASN  19          2HB       ASN  19   0.611  10.708   6.406
  138   2HB   ASN  19          1HB       ASN  19   1.839  10.779   5.146
  139   1HD2  ASN  19          1HD2      ASN  19   2.998  11.977   6.825
  140   2HD2  ASN  19          2HD2      ASN  19   2.733  13.680   6.957
  141    H    GLU  20           H        GLU  20  -1.053  13.085   2.983
  142    HA   GLU  20           HA       GLU  20   0.677  12.495   0.728
  143   1HB   GLU  20          2HB       GLU  20  -1.530  14.536   1.053
  144   2HB   GLU  20          1HB       GLU  20  -0.665  14.219  -0.444
  145   1HG   GLU  20          2HG       GLU  20  -1.498  11.909  -0.412
  146   2HG   GLU  20          1HG       GLU  20  -2.405  12.275   1.054
  147    H    ASP  21           H        ASP  21   0.726  14.548   3.428
  148    HA   ASP  21           HA       ASP  21   1.871  16.884   2.505
  149   1HB   ASP  21          2HB       ASP  21   2.365  15.358   5.062
  150   2HB   ASP  21          1HB       ASP  21   3.023  16.963   4.759
  151    H    VAL  22           H        VAL  22   3.213  13.717   2.668
  152    HA   VAL  22           HA       VAL  22   5.938  14.569   2.384
  153    HB   VAL  22           HB       VAL  22   5.099  11.796   1.820
  154   1HG1  VAL  22          1HG1      VAL  22   7.507  13.217   2.712
  155   2HG1  VAL  22          2HG1      VAL  22   7.345  11.787   1.693
  156   3HG1  VAL  22          3HG1      VAL  22   7.231  11.638   3.447
  157   1HG2  VAL  22          1HG2      VAL  22   4.736  13.195   4.392
  158   2HG2  VAL  22          2HG2      VAL  22   5.468  11.592   4.461
  159   3HG2  VAL  22          3HG2      VAL  22   3.878  11.804   3.727
  160    H    SER  23           H        SER  23   7.263  14.102   0.549
  161    HA   SER  23           HA       SER  23   5.820  13.583  -1.947
  162   1HB   SER  23          2HB       SER  23   7.560  15.447  -2.830
  163   2HB   SER  23          1HB       SER  23   5.912  15.822  -2.328
  164    HG   SER  23           HG       SER  23   7.533  17.167  -1.347
  165    HA   PRO  24           HA       PRO  24   5.794  12.171  -3.348
  166   1HB   PRO  24          2HB       PRO  24   5.924   9.461  -3.406
  167   2HB   PRO  24          1HB       PRO  24   6.622  10.484  -4.666
  168   1HG   PRO  24          2HG       PRO  24   7.966   9.159  -2.341
  169   2HG   PRO  24          1HG       PRO  24   8.506   9.277  -4.027
  170   1HD   PRO  24          2HD       PRO  24   9.472  10.886  -2.082
  171   2HD   PRO  24          1HD       PRO  24   9.281  11.434  -3.760
  172    H    ALA  25           H        ALA  25   3.865  11.516  -2.429
  173    HA   ALA  25           HA       ALA  25   3.608  11.548   0.335
  174   1HB   ALA  25          1HB       ALA  25   1.753  12.038  -1.155
  175   2HB   ALA  25          2HB       ALA  25   1.308  10.759  -0.025
  176   3HB   ALA  25          3HB       ALA  25   1.716  10.358  -1.694
  177    H    GLU  26           H        GLU  26   2.466   9.707   1.600
  178    HA   GLU  26           HA       GLU  26   3.375   7.045   0.881
  179   1HB   GLU  26          2HB       GLU  26   4.395   8.444   3.357
  180   2HB   GLU  26          1HB       GLU  26   4.585   6.727   3.028
  181   1HG   GLU  26          2HG       GLU  26   5.867   7.279   1.004
  182   2HG   GLU  26          1HG       GLU  26   5.721   8.990   1.403
  183    H    LEU  27           H        LEU  27   2.613   5.385   2.376
  184    HA   LEU  27           HA       LEU  27   0.129   6.195   3.734
  185   1HB   LEU  27          2HB       LEU  27  -0.479   4.814   1.934
  186   2HB   LEU  27          1HB       LEU  27   0.877   3.733   2.188
  187    HG   LEU  27           HG       LEU  27  -0.177   2.854   4.212
  188   1HD1  LEU  27          1HD1      LEU  27  -2.806   3.979   3.791
  189   2HD1  LEU  27          2HD1      LEU  27  -1.617   5.224   4.170
  190   3HD1  LEU  27          3HD1      LEU  27  -1.850   3.863   5.268
  191   1HD2  LEU  27          1HD2      LEU  27  -1.855   2.852   1.713
  192   2HD2  LEU  27          2HD2      LEU  27  -2.180   1.813   3.101
  193   3HD2  LEU  27          3HD2      LEU  27  -0.659   1.659   2.221
  194    H    THR  28           H        THR  28   0.284   6.124   5.899
  195    HA   THR  28           HA       THR  28   2.338   4.552   7.156
  196    HB   THR  28           HB       THR  28   0.505   6.053   8.841
  197    HG1  THR  28           HG1      THR  28   1.964   7.481   6.887
  198   1HG2  THR  28          1HG2      THR  28   2.743   5.354   9.543
  199   2HG2  THR  28          2HG2      THR  28   2.513   7.100   9.642
  200   3HG2  THR  28          3HG2      THR  28   3.425   6.404   8.304
  201    H    TRP  29           H        TRP  29   1.980   2.989   8.703
  202    HA   TRP  29           HA       TRP  29  -0.760   2.060   9.126
  203   1HB   TRP  29          2HB       TRP  29   0.228   0.625   7.397
  204   2HB   TRP  29          1HB       TRP  29   1.607   0.300   8.446
  205    HD1  TRP  29           HD1      TRP  29  -2.207   0.103   9.069
  206    HE1  TRP  29           HE1      TRP  29  -2.736  -2.204  10.103
  207    HE3  TRP  29           HE3      TRP  29   2.510  -1.859   9.124
  208    HZ2  TRP  29           HZ2      TRP  29  -1.331  -4.517  10.839
  209    HZ3  TRP  29           HZ3      TRP  29   2.830  -4.134  10.017
  210    HH2  TRP  29           HH2      TRP  29   0.936  -5.440  10.854
  211    H    ARG  30           H        ARG  30  -1.063   2.330  11.250
  212    HA   ARG  30           HA       ARG  30   1.177   1.734  13.060
  213   1HB   ARG  30          2HB       ARG  30   0.101   3.979  13.244
  214   2HB   ARG  30          1HB       ARG  30  -1.408   3.185  13.674
  215   1HG   ARG  30          2HG       ARG  30  -0.312   2.225  15.656
  216   2HG   ARG  30          1HG       ARG  30   1.164   3.096  15.236
  217   1HD   ARG  30          2HD       ARG  30  -1.501   4.407  15.760
  218   2HD   ARG  30          1HD       ARG  30  -0.229   4.223  16.965
  219    HE   ARG  30           HE       ARG  30   1.003   5.870  15.904
  220   1HH1  ARG  30          1HH1      ARG  30  -1.830   5.084  14.014
  221   2HH1  ARG  30          2HH1      ARG  30  -1.674   6.465  12.983
  222   1HH2  ARG  30          1HH2      ARG  30   1.204   7.683  14.547
  223   2HH2  ARG  30          2HH2      ARG  30   0.045   7.940  13.284
  224    H    SER  31           H        SER  31   1.116  -0.073  14.288
  225    HA   SER  31           HA       SER  31  -0.859  -2.016  13.936
  226   1HB   SER  31          2HB       SER  31   1.203  -2.866  14.620
  227   2HB   SER  31          1HB       SER  31   1.386  -1.666  15.900
  228    HG   SER  31           HG       SER  31   0.197  -4.116  15.969
  229    H    THR  32           H        THR  32  -2.241  -2.963  15.606
  230    HA   THR  32           HA       THR  32  -4.042  -1.125  16.669
  231    HB   THR  32           HB       THR  32  -3.538  -4.036  16.807
  232    HG1  THR  32           HG1      THR  32  -5.234  -3.997  15.588
  233   1HG2  THR  32          1HG2      THR  32  -5.359  -2.678  18.758
  234   2HG2  THR  32          2HG2      THR  32  -3.973  -3.710  19.110
  235   3HG2  THR  32          3HG2      THR  32  -5.413  -4.395  18.357
  236    H    ASP  33           H        ASP  33  -1.239  -2.691  17.953
  237    HA   ASP  33           HA       ASP  33  -1.676  -2.074  20.685
  238   1HB   ASP  33          2HB       ASP  33  -0.139  -3.869  19.845
  239   2HB   ASP  33          1HB       ASP  33   0.974  -2.601  19.342
  240    H    GLY  34           H        GLY  34  -0.147  -0.421  18.040
  241   1HA   GLY  34          2HA       GLY  34   0.250   1.864  17.845
  242   2HA   GLY  34          1HA       GLY  34  -0.151   2.053  19.546
  243    H    ASP  35           H        ASP  35   2.129  -0.353  18.577
  244    HA   ASP  35           HA       ASP  35   4.286   1.286  19.714
  245   1HB   ASP  35          2HB       ASP  35   3.927  -1.715  19.724
  246   2HB   ASP  35          1HB       ASP  35   5.379  -0.892  20.285
  247    H    LYS  36           H        LYS  36   3.217  -0.444  16.954
  248    HA   LYS  36           HA       LYS  36   5.842  -0.022  15.687
  249   1HB   LYS  36          2HB       LYS  36   4.138  -2.409  15.783
  250   2HB   LYS  36          1HB       LYS  36   4.664  -1.980  14.161
  251   1HG   LYS  36          2HG       LYS  36   7.007  -1.921  15.022
  252   2HG   LYS  36          1HG       LYS  36   6.397  -2.567  16.547
  253   1HD   LYS  36          2HD       LYS  36   5.996  -3.904  13.876
  254   2HD   LYS  36          1HD       LYS  36   7.323  -4.284  14.976
  255   1HE   LYS  36          2HE       LYS  36   4.637  -4.309  16.178
  256   2HE   LYS  36          1HE       LYS  36   4.930  -5.555  14.965
  257   1HZ   LYS  36          1HZ       LYS  36   5.557  -5.857  17.512
  258   2HZ   LYS  36          2HZ       LYS  36   7.006  -5.171  16.972
  259   3HZ   LYS  36          3HZ       LYS  36   6.432  -6.597  16.268
  260    H    VAL  37           H        VAL  37   5.854   1.185  13.901
  261    HA   VAL  37           HA       VAL  37   3.298   1.685  12.531
  262    HB   VAL  37           HB       VAL  37   5.407   3.791  13.005
  263   1HG1  VAL  37          1HG1      VAL  37   3.669   3.782  11.014
  264   2HG1  VAL  37          2HG1      VAL  37   4.070   5.264  11.883
  265   3HG1  VAL  37          3HG1      VAL  37   2.589   4.387  12.270
  266   1HG2  VAL  37          1HG2      VAL  37   3.136   2.911  14.661
  267   2HG2  VAL  37          2HG2      VAL  37   3.273   4.652  14.412
  268   3HG2  VAL  37          3HG2      VAL  37   4.616   3.754  15.116
  269    H    HIS  38           H        HIS  38   3.383   1.173  10.456
  270    HA   HIS  38           HA       HIS  38   6.017   1.107   9.136
  271   1HB   HIS  38          2HB       HIS  38   4.921  -1.063   9.195
  272   2HB   HIS  38          1HB       HIS  38   3.492  -0.381   8.435
  273    HD1  HIS  38           HD1      HIS  38   6.323  -2.316   7.602
  274    HD2  HIS  38           HD2      HIS  38   4.324   0.824   5.756
  275    HE1  HIS  38           HE1      HIS  38   6.975  -2.437   5.175
  276    HE2  HIS  38           HE2      HIS  38   5.678  -0.586   4.063
  277    H    THR  39           H        THR  39   6.335   2.067   7.214
  278    HA   THR  39           HA       THR  39   4.167   3.814   6.232
  279    HB   THR  39           HB       THR  39   7.127   4.386   6.014
  280    HG1  THR  39           HG1      THR  39   7.042   5.036   7.988
  281   1HG2  THR  39          1HG2      THR  39   4.673   6.033   5.517
  282   2HG2  THR  39          2HG2      THR  39   5.998   5.672   4.411
  283   3HG2  THR  39          3HG2      THR  39   6.265   6.747   5.783
  284    H    VAL  40           H        VAL  40   3.648   3.689   4.128
  285    HA   VAL  40           HA       VAL  40   5.319   1.969   2.412
  286    HB   VAL  40           HB       VAL  40   2.357   2.450   2.107
  287   1HG1  VAL  40          1HG1      VAL  40   2.728   0.203   0.803
  288   2HG1  VAL  40          2HG1      VAL  40   4.383   0.798   0.681
  289   3HG1  VAL  40          3HG1      VAL  40   3.051   1.758   0.036
  290   1HG2  VAL  40          1HG2      VAL  40   3.584  -0.077   3.157
  291   2HG2  VAL  40          2HG2      VAL  40   1.899   0.439   3.208
  292   3HG2  VAL  40          3HG2      VAL  40   3.094   1.232   4.233
  293    H    VAL  41           H        VAL  41   5.750   2.602   0.321
  294    HA   VAL  41           HA       VAL  41   5.420   5.449  -0.206
  295    HB   VAL  41           HB       VAL  41   6.925   3.417  -1.859
  296   1HG1  VAL  41          1HG1      VAL  41   8.156   5.818  -2.201
  297   2HG1  VAL  41          2HG1      VAL  41   6.470   6.309  -2.034
  298   3HG1  VAL  41          3HG1      VAL  41   6.932   5.153  -3.282
  299   1HG2  VAL  41          1HG2      VAL  41   8.895   3.925  -0.676
  300   2HG2  VAL  41          2HG2      VAL  41   7.671   3.649   0.564
  301   3HG2  VAL  41          3HG2      VAL  41   8.147   5.295   0.145
  302    H    LEU  42           H        LEU  42   3.897   6.226  -1.499
  303    HA   LEU  42           HA       LEU  42   2.220   4.388  -2.989
  304   1HB   LEU  42          2HB       LEU  42   1.901   7.373  -2.829
  305   2HB   LEU  42          1HB       LEU  42   0.674   6.169  -3.181
  306    HG   LEU  42           HG       LEU  42   1.992   6.678  -0.515
  307   1HD1  LEU  42          1HD1      LEU  42  -0.927   6.731  -0.807
  308   2HD1  LEU  42          2HD1      LEU  42  -0.068   8.020  -1.649
  309   3HD1  LEU  42          3HD1      LEU  42   0.148   7.804   0.088
  310   1HD2  LEU  42          1HD2      LEU  42   1.652   4.475  -0.199
  311   2HD2  LEU  42          2HD2      LEU  42   0.526   4.350  -1.552
  312   3HD2  LEU  42          3HD2      LEU  42  -0.032   4.960   0.006
  313    H    SER  43           H        SER  43   4.937   6.289  -3.644
  314    HA   SER  43           HA       SER  43   4.261   6.969  -6.356
  315   1HB   SER  43          2HB       SER  43   6.583   7.746  -6.517
  316   2HB   SER  43          1HB       SER  43   5.823   8.361  -5.051
  317    HG   SER  43           HG       SER  43   7.978   6.730  -5.330
  318    H    THR  44           H        THR  44   5.805   4.333  -4.697
  319    HA   THR  44           HA       THR  44   6.950   3.207  -7.082
  320    HB   THR  44           HB       THR  44   8.043   2.863  -4.922
  321    HG1  THR  44           HG1      THR  44   7.017   0.390  -5.833
  322   1HG2  THR  44          1HG2      THR  44   6.037   2.767  -3.501
  323   2HG2  THR  44          2HG2      THR  44   7.142   1.421  -3.228
  324   3HG2  THR  44          3HG2      THR  44   5.670   1.178  -4.168
  325    H    ILE  45           H        ILE  45   3.955   3.034  -5.406
  326    HA   ILE  45           HA       ILE  45   3.043   0.510  -6.244
  327    HB   ILE  45           HB       ILE  45   1.330   2.949  -5.775
  328   1HG1  ILE  45          2HG1      ILE  45   2.776   2.688  -3.860
  329   2HG1  ILE  45          1HG1      ILE  45   1.171   2.107  -3.428
  330   1HG2  ILE  45          1HG2      ILE  45  -0.446   1.466  -5.369
  331   2HG2  ILE  45          2HG2      ILE  45   0.631   0.074  -5.265
  332   3HG2  ILE  45          3HG2      ILE  45   0.343   0.852  -6.821
  333   1HD1  ILE  45          1HD1      ILE  45   3.701   0.598  -3.804
  334   2HD1  ILE  45          2HD1      ILE  45   2.170  -0.210  -4.142
  335   3HD1  ILE  45          3HD1      ILE  45   2.478   0.464  -2.540
  336    H    ASP  46           H        ASP  46   3.536   0.169  -8.401
  337    HA   ASP  46           HA       ASP  46   2.960   1.931 -10.506
  338   1HB   ASP  46          2HB       ASP  46   4.487  -0.053 -10.626
  339   2HB   ASP  46          1HB       ASP  46   3.063  -1.086 -10.664
  340    H    LYS  47           H        LYS  47   0.974  -0.393  -8.809
  341    HA   LYS  47           HA       LYS  47  -1.392   0.692 -10.051
  342   1HB   LYS  47          2HB       LYS  47  -0.641  -2.204 -10.478
  343   2HB   LYS  47          1HB       LYS  47  -2.234  -1.532 -10.805
  344   1HG   LYS  47          2HG       LYS  47  -1.137   0.048 -12.409
  345   2HG   LYS  47          1HG       LYS  47   0.354  -0.867 -12.183
  346   1HD   LYS  47          2HD       LYS  47  -2.249  -2.088 -13.090
  347   2HD   LYS  47          1HD       LYS  47  -0.985  -1.534 -14.190
  348   1HE   LYS  47          2HE       LYS  47  -0.039  -3.309 -12.059
  349   2HE   LYS  47          1HE       LYS  47  -1.188  -4.058 -13.167
  350   1HZ   LYS  47          1HZ       LYS  47   1.288  -2.638 -13.993
  351   2HZ   LYS  47          2HZ       LYS  47   0.211  -3.450 -15.014
  352   3HZ   LYS  47          3HZ       LYS  47   1.125  -4.319 -13.887
  353    H    LEU  48           H        LEU  48  -3.395  -0.375  -9.162
  354    HA   LEU  48           HA       LEU  48  -2.914  -1.278  -6.399
  355   1HB   LEU  48          2HB       LEU  48  -4.754   0.762  -7.513
  356   2HB   LEU  48          1HB       LEU  48  -5.386  -0.243  -6.223
  357    HG   LEU  48           HG       LEU  48  -3.104   0.464  -5.054
  358   1HD1  LEU  48          1HD1      LEU  48  -2.674   1.818  -7.273
  359   2HD1  LEU  48          2HD1      LEU  48  -2.190   2.452  -5.699
  360   3HD1  LEU  48          3HD1      LEU  48  -3.678   3.018  -6.458
  361   1HD2  LEU  48          1HD2      LEU  48  -5.070   2.641  -4.957
  362   2HD2  LEU  48          2HD2      LEU  48  -4.430   1.629  -3.664
  363   3HD2  LEU  48          3HD2      LEU  48  -5.730   1.027  -4.693
  364    H    GLN  49           H        GLN  49  -3.902  -3.107  -5.754
  365    HA   GLN  49           HA       GLN  49  -5.932  -4.274  -7.542
  366   1HB   GLN  49          2HB       GLN  49  -3.743  -5.742  -6.060
  367   2HB   GLN  49          1HB       GLN  49  -5.011  -6.500  -7.012
  368   1HG   GLN  49          2HG       GLN  49  -4.151  -5.221  -8.991
  369   2HG   GLN  49          1HG       GLN  49  -2.780  -4.744  -7.992
  370   1HE2  GLN  49          1HE2      GLN  49  -1.965  -6.847  -6.712
  371   2HE2  GLN  49          2HE2      GLN  49  -1.579  -8.165  -7.760
  372    H    ALA  50           H        ALA  50  -7.664  -5.292  -6.596
  373    HA   ALA  50           HA       ALA  50  -7.745  -5.487  -3.678
  374   1HB   ALA  50          1HB       ALA  50 -10.186  -4.374  -4.907
  375   2HB   ALA  50          2HB       ALA  50  -8.795  -3.294  -4.815
  376   3HB   ALA  50          3HB       ALA  50  -9.439  -4.030  -3.346
  377    H    THR  51           H        THR  51  -9.413  -6.878  -2.874
  378    HA   THR  51           HA       THR  51  -9.846  -9.157  -4.519
  379    HB   THR  51           HB       THR  51 -11.379  -9.797  -2.508
  380    HG1  THR  51           HG1      THR  51 -11.682  -7.984  -1.410
  381   1HG2  THR  51          1HG2      THR  51  -8.426  -9.348  -2.182
  382   2HG2  THR  51          2HG2      THR  51  -9.236 -10.819  -2.719
  383   3HG2  THR  51          3HG2      THR  51  -9.424 -10.266  -1.055
  384    HA   PRO  52           HA       PRO  52 -13.689  -8.006  -6.391
  385   1HB   PRO  52          2HB       PRO  52 -14.617 -10.444  -7.089
  386   2HB   PRO  52          1HB       PRO  52 -13.247  -9.684  -7.907
  387   1HG   PRO  52          2HG       PRO  52 -13.253 -11.781  -5.771
  388   2HG   PRO  52          1HG       PRO  52 -12.266 -11.685  -7.241
  389   1HD   PRO  52          2HD       PRO  52 -11.346 -10.961  -4.785
  390   2HD   PRO  52          1HD       PRO  52 -10.773 -10.217  -6.292
  391    H    ALA  53           H        ALA  53 -16.019  -8.305  -6.198
  392    HA   ALA  53           HA       ALA  53 -16.855  -8.454  -3.488
  393   1HB   ALA  53          1HB       ALA  53 -18.937  -8.635  -5.555
  394   2HB   ALA  53          2HB       ALA  53 -17.849  -7.255  -5.694
  395   3HB   ALA  53          3HB       ALA  53 -18.765  -7.510  -4.208
  396    H    SER  54           H        SER  54 -16.337 -10.862  -5.808
  397    HA   SER  54           HA       SER  54 -18.352 -12.674  -4.753
  398   1HB   SER  54          2HB       SER  54 -17.706 -12.534  -7.215
  399   2HB   SER  54          1HB       SER  54 -16.205 -13.341  -6.765
  400    HG   SER  54           HG       SER  54 -17.282 -15.151  -6.326
  401    H    SER  55           H        SER  55 -15.405 -11.687  -3.708
  402    HA   SER  55           HA       SER  55 -14.644 -14.333  -2.678
  403   1HB   SER  55          2HB       SER  55 -13.054 -12.552  -3.957
  404   2HB   SER  55          1HB       SER  55 -12.812 -12.042  -2.286
  405    HG   SER  55           HG       SER  55 -11.315 -13.636  -2.820
  406    H    GLU  56           H        GLU  56 -15.348 -14.747  -0.708
  407    HA   GLU  56           HA       GLU  56 -16.457 -12.892   1.047
  408   1HB   GLU  56          2HB       GLU  56 -16.810 -15.354   1.153
  409   2HB   GLU  56          1HB       GLU  56 -15.175 -15.531   1.774
  410   1HG   GLU  56          2HG       GLU  56 -15.795 -14.145   3.716
  411   2HG   GLU  56          1HG       GLU  56 -17.448 -14.075   3.105
  412    H    LYS  57           H        LYS  57 -13.181 -13.590   0.360
  413    HA   LYS  57           HA       LYS  57 -12.232 -12.392   2.852
  414   1HB   LYS  57          2HB       LYS  57 -10.679 -13.585   0.547
  415   2HB   LYS  57          1HB       LYS  57  -9.992 -13.033   2.069
  416   1HG   LYS  57          2HG       LYS  57 -11.971 -15.283   1.763
  417   2HG   LYS  57          1HG       LYS  57 -10.230 -15.468   1.983
  418   1HD   LYS  57          2HD       LYS  57 -11.322 -13.744   4.014
  419   2HD   LYS  57          1HD       LYS  57 -12.194 -15.277   3.975
  420   1HE   LYS  57          2HE       LYS  57 -10.411 -15.602   5.478
  421   2HE   LYS  57          1HE       LYS  57  -9.925 -16.405   3.986
  422   1HZ   LYS  57          1HZ       LYS  57  -8.277 -14.928   3.620
  423   2HZ   LYS  57          2HZ       LYS  57  -8.352 -14.737   5.298
  424   3HZ   LYS  57          3HZ       LYS  57  -9.123 -13.623   4.286
  425    H    MET  58           H        MET  58 -11.905 -10.280   2.967
  426    HA   MET  58           HA       MET  58 -11.619  -8.742   0.492
  427   1HB   MET  58          2HB       MET  58 -11.922  -6.776   2.134
  428   2HB   MET  58          1HB       MET  58 -13.314  -7.793   1.788
  429   1HG   MET  58          2HG       MET  58 -13.187  -8.863   3.869
  430   2HG   MET  58          1HG       MET  58 -11.554  -8.271   4.166
  431   1HE   MET  58          1HE       MET  58 -15.129  -7.858   5.209
  432   2HE   MET  58          2HE       MET  58 -15.247  -7.196   3.578
  433   3HE   MET  58          3HE       MET  58 -15.500  -6.150   4.975
  434    H    MET  59           H        MET  59  -9.664  -8.178  -0.160
  435    HA   MET  59           HA       MET  59  -7.679  -7.265   1.754
  436   1HB   MET  59          2HB       MET  59  -7.157  -9.592  -0.107
  437   2HB   MET  59          1HB       MET  59  -5.926  -8.763   0.837
  438   1HG   MET  59          2HG       MET  59  -7.181  -9.412   2.893
  439   2HG   MET  59          1HG       MET  59  -8.232 -10.390   1.871
  440   1HE   MET  59          1HE       MET  59  -4.749  -9.420   2.573
  441   2HE   MET  59          2HE       MET  59  -3.746 -10.781   2.070
  442   3HE   MET  59          3HE       MET  59  -4.429 -10.743   3.696
  443    H    LEU  60           H        LEU  60  -6.200  -5.836   0.878
  444    HA   LEU  60           HA       LEU  60  -6.601  -5.184  -1.969
  445   1HB   LEU  60          2HB       LEU  60  -6.536  -3.534   0.443
  446   2HB   LEU  60          1HB       LEU  60  -5.476  -2.941  -0.822
  447    HG   LEU  60           HG       LEU  60  -8.291  -3.633  -1.530
  448   1HD1  LEU  60          1HD1      LEU  60  -9.209  -1.684  -0.701
  449   2HD1  LEU  60          2HD1      LEU  60  -7.639  -0.906  -0.497
  450   3HD1  LEU  60          3HD1      LEU  60  -8.145  -2.179   0.614
  451   1HD2  LEU  60          1HD2      LEU  60  -6.061  -2.018  -2.593
  452   2HD2  LEU  60          2HD2      LEU  60  -7.679  -1.347  -2.803
  453   3HD2  LEU  60          3HD2      LEU  60  -7.298  -2.947  -3.440
  454    H    ARG  61           H        ARG  61  -4.928  -5.675  -3.204
  455    HA   ARG  61           HA       ARG  61  -2.251  -5.807  -1.997
  456   1HB   ARG  61          2HB       ARG  61  -3.120  -7.866  -3.076
  457   2HB   ARG  61          1HB       ARG  61  -3.227  -6.994  -4.598
  458   1HG   ARG  61          2HG       ARG  61  -0.805  -6.652  -4.570
  459   2HG   ARG  61          1HG       ARG  61  -0.705  -7.542  -3.050
  460   1HD   ARG  61          2HD       ARG  61  -1.743  -8.655  -5.655
  461   2HD   ARG  61          1HD       ARG  61  -0.124  -8.923  -5.010
  462    HE   ARG  61           HE       ARG  61  -1.000 -10.383  -3.445
  463   1HH1  ARG  61          1HH1      ARG  61  -3.585  -8.823  -5.204
  464   2HH1  ARG  61          2HH1      ARG  61  -4.801  -9.903  -4.615
  465   1HH2  ARG  61          1HH2      ARG  61  -2.602 -11.798  -2.673
  466   2HH2  ARG  61          2HH2      ARG  61  -4.245 -11.589  -3.179
  467    H    LEU  62           H        LEU  62  -0.624  -4.551  -2.680
  468    HA   LEU  62           HA       LEU  62  -1.185  -2.715  -4.917
  469   1HB   LEU  62          2HB       LEU  62  -0.265  -2.233  -2.205
  470   2HB   LEU  62          1HB       LEU  62   0.837  -1.561  -3.392
  471    HG   LEU  62           HG       LEU  62  -1.117  -0.384  -4.433
  472   1HD1  LEU  62          1HD1      LEU  62  -2.486  -1.678  -2.119
  473   2HD1  LEU  62          2HD1      LEU  62  -3.031  -1.483  -3.786
  474   3HD1  LEU  62          3HD1      LEU  62  -3.036  -0.101  -2.690
  475   1HD2  LEU  62          1HD2      LEU  62  -1.115   0.600  -1.666
  476   2HD2  LEU  62          2HD2      LEU  62  -0.688   1.422  -3.166
  477   3HD2  LEU  62          3HD2      LEU  62   0.483   0.365  -2.376
  478    H    ILE  63           H        ILE  63   0.164  -2.716  -6.576
  479    HA   ILE  63           HA       ILE  63   2.539  -4.427  -6.425
  480    HB   ILE  63           HB       ILE  63   1.435  -3.211  -8.943
  481   1HG1  ILE  63          2HG1      ILE  63  -0.448  -4.358  -8.000
  482   2HG1  ILE  63          1HG1      ILE  63   0.221  -5.396  -9.253
  483   1HG2  ILE  63          1HG2      ILE  63   2.421  -5.709  -9.501
  484   2HG2  ILE  63          2HG2      ILE  63   3.512  -5.132  -8.242
  485   3HG2  ILE  63          3HG2      ILE  63   3.288  -4.189  -9.715
  486   1HD1  ILE  63          1HD1      ILE  63   0.279  -7.034  -7.773
  487   2HD1  ILE  63          2HD1      ILE  63  -0.200  -5.935  -6.477
  488   3HD1  ILE  63          3HD1      ILE  63   1.506  -6.134  -6.881
  489    H    GLY  64           H        GLY  64   4.551  -3.645  -6.507
  490   1HA   GLY  64          2HA       GLY  64   4.916  -0.767  -6.600
  491   2HA   GLY  64          1HA       GLY  64   6.144  -1.965  -6.218
  492    H    LYS  65           H        LYS  65   7.096  -0.106  -7.744
  493    HA   LYS  65           HA       LYS  65   6.623  -0.388 -10.530
  494   1HB   LYS  65          2HB       LYS  65   8.501   1.095  -8.808
  495   2HB   LYS  65          1HB       LYS  65   9.111   0.704 -10.411
  496   1HG   LYS  65          2HG       LYS  65   7.162   1.781 -11.415
  497   2HG   LYS  65          1HG       LYS  65   6.558   2.181  -9.805
  498   1HD   LYS  65          2HD       LYS  65   8.634   3.480  -9.404
  499   2HD   LYS  65          1HD       LYS  65   9.121   3.153 -11.069
  500   1HE   LYS  65          2HE       LYS  65   6.621   4.612 -10.215
  501   2HE   LYS  65          1HE       LYS  65   8.089   5.366 -10.837
  502   1HZ   LYS  65          1HZ       LYS  65   6.576   5.199 -12.625
  503   2HZ   LYS  65          2HZ       LYS  65   6.224   3.580 -12.291
  504   3HZ   LYS  65          3HZ       LYS  65   7.747   4.006 -12.890
  505    H    VAL  66           H        VAL  66   8.366  -1.006 -12.086
  506    HA   VAL  66           HA       VAL  66   9.123  -3.700 -11.647
  507    HB   VAL  66           HB       VAL  66  10.182  -1.869 -13.800
  508   1HG1  VAL  66          1HG1      VAL  66  11.333  -4.036 -13.517
  509   2HG1  VAL  66          2HG1      VAL  66  10.507  -3.898 -15.069
  510   3HG1  VAL  66          3HG1      VAL  66   9.795  -4.859 -13.774
  511   1HG2  VAL  66          1HG2      VAL  66   8.237  -3.150 -15.069
  512   2HG2  VAL  66          2HG2      VAL  66   7.952  -1.630 -14.219
  513   3HG2  VAL  66          3HG2      VAL  66   7.531  -3.162 -13.452
  514    H    ASP  67           H        ASP  67  10.917  -0.651 -11.627
  515    HA   ASP  67           HA       ASP  67  12.968  -0.090 -10.822
  516   1HB   ASP  67          2HB       ASP  67  12.604  -2.666  -9.278
  517   2HB   ASP  67          1HB       ASP  67  13.905  -1.514  -8.988
  518    H    GLU  68           H        GLU  68  13.514  -0.607 -13.153
  519    HA   GLU  68           HA       GLU  68  15.385  -2.871 -13.317
  520   1HB   GLU  68          2HB       GLU  68  14.112  -1.333 -15.588
  521   2HB   GLU  68          1HB       GLU  68  15.118  -2.768 -15.734
  522   1HG   GLU  68          2HG       GLU  68  13.410  -4.040 -14.474
  523   2HG   GLU  68          1HG       GLU  68  12.389  -2.602 -14.478
  524    H    SER  69           H        SER  69  16.088  -0.446 -12.036
  525    HA   SER  69           HA       SER  69  17.925   0.815 -13.943
  526   1HB   SER  69          2HB       SER  69  16.341   2.231 -12.545
  527   2HB   SER  69          1HB       SER  69  17.312   1.772 -11.146
  528    HG   SER  69           HG       SER  69  17.799   3.655 -12.996
  529    H    LYS  70           H        LYS  70  17.797  -1.187 -11.141
  530    HA   LYS  70           HA       LYS  70  20.606  -0.860 -10.512
  531   1HB   LYS  70          2HB       LYS  70  18.500  -2.709  -9.378
  532   2HB   LYS  70          1HB       LYS  70  20.152  -2.599  -8.786
  533   1HG   LYS  70          2HG       LYS  70  19.763  -0.217  -8.254
  534   2HG   LYS  70          1HG       LYS  70  18.080  -0.416  -8.749
  535   1HD   LYS  70          2HD       LYS  70  17.841  -2.191  -7.028
  536   2HD   LYS  70          1HD       LYS  70  19.484  -1.839  -6.488
  537   1HE   LYS  70          2HE       LYS  70  17.575   0.426  -6.681
  538   2HE   LYS  70          1HE       LYS  70  17.347  -0.725  -5.366
  539   1HZ   LYS  70          1HZ       LYS  70  20.060   0.235  -5.776
  540   2HZ   LYS  70          2HZ       LYS  70  19.222  -0.057  -4.338
  541   3HZ   LYS  70          3HZ       LYS  70  18.952   1.375  -5.196
  542    H    LYS  71           H        LYS  71  18.539  -3.084 -12.232
  543    HA   LYS  71           HA       LYS  71  20.713  -5.003 -12.564
  544   1HB   LYS  71          2HB       LYS  71  17.806  -5.061 -13.368
  545   2HB   LYS  71          1HB       LYS  71  18.951  -6.320 -13.805
  546   1HG   LYS  71          2HG       LYS  71  17.928  -7.180 -11.922
  547   2HG   LYS  71          1HG       LYS  71  19.408  -6.471 -11.271
  548   1HD   LYS  71          2HD       LYS  71  18.190  -4.492 -10.575
  549   2HD   LYS  71          1HD       LYS  71  16.710  -5.118 -11.306
  550   1HE   LYS  71          2HE       LYS  71  18.219  -6.298  -8.977
  551   2HE   LYS  71          1HE       LYS  71  16.657  -5.484  -8.919
  552   1HZ   LYS  71          1HZ       LYS  71  17.278  -8.085 -10.202
  553   2HZ   LYS  71          2HZ       LYS  71  15.809  -7.271 -10.405
  554   3HZ   LYS  71          3HZ       LYS  71  16.269  -7.811  -8.871
  555    H    ARG  72           H        ARG  72  21.688  -5.468 -14.501
  556    HA   ARG  72           HA       ARG  72  21.084  -3.626 -16.722
  557   1HB   ARG  72          2HB       ARG  72  23.467  -3.797 -17.344
  558   2HB   ARG  72          1HB       ARG  72  23.242  -3.110 -15.741
  559   1HG   ARG  72          2HG       ARG  72  23.791  -5.269 -14.738
  560   2HG   ARG  72          1HG       ARG  72  24.018  -5.957 -16.347
  561   1HD   ARG  72          2HD       ARG  72  25.699  -3.981 -16.638
  562   2HD   ARG  72          1HD       ARG  72  25.693  -3.967 -14.876
  563    HE   ARG  72           HE       ARG  72  26.949  -5.890 -16.577
  564   1HH1  ARG  72          1HH1      ARG  72  25.458  -5.439 -13.454
  565   2HH1  ARG  72          2HH1      ARG  72  26.315  -6.750 -12.716
  566   1HH2  ARG  72          1HH2      ARG  72  28.075  -7.616 -15.609
  567   2HH2  ARG  72          2HH2      ARG  72  27.801  -7.986 -13.939
  568    H    LYS  73           H        LYS  73  20.420  -4.544 -18.543
  569    HA   LYS  73           HA       LYS  73  20.732  -7.442 -18.851
  570   1HB   LYS  73          2HB       LYS  73  18.918  -7.316 -20.456
  571   2HB   LYS  73          1HB       LYS  73  18.447  -6.511 -18.965
  572   1HG   LYS  73          2HG       LYS  73  18.998  -4.339 -20.016
  573   2HG   LYS  73          1HG       LYS  73  19.327  -5.194 -21.524
  574   1HD   LYS  73          2HD       LYS  73  16.975  -6.119 -21.354
  575   2HD   LYS  73          1HD       LYS  73  16.709  -4.947 -20.063
  576   1HE   LYS  73          2HE       LYS  73  17.603  -4.258 -22.859
  577   2HE   LYS  73          1HE       LYS  73  15.939  -4.160 -22.285
  578   1HZ   LYS  73          1HZ       LYS  73  17.928  -2.762 -20.691
  579   2HZ   LYS  73          2HZ       LYS  73  16.359  -2.297 -21.117
  580   3HZ   LYS  73          3HZ       LYS  73  17.623  -2.114 -22.225
  581    H    ASP  74           H        ASP  74  21.554  -8.368 -20.727
  582    HA   ASP  74           HA       ASP  74  23.153  -6.545 -22.390
  583   1HB   ASP  74          2HB       ASP  74  23.598  -9.431 -21.631
  584   2HB   ASP  74          1HB       ASP  74  24.533  -8.609 -22.875
  585    H    ASN  75           H        ASN  75  20.610  -8.840 -22.418
  586    HA   ASN  75           HA       ASN  75  19.145  -9.407 -24.079
  587   1HB   ASN  75          2HB       ASN  75  19.832  -7.108 -25.025
  588   2HB   ASN  75          1HB       ASN  75  20.871  -8.024 -26.113
  589   1HD2  ASN  75          1HD2      ASN  75  19.560  -7.067 -27.790
  590   2HD2  ASN  75          2HD2      ASN  75  18.052  -7.796 -28.209
  591    H    GLU  76           H        GLU  76  22.236 -10.397 -23.763
  592    HA   GLU  76           HA       GLU  76  22.496 -11.996 -26.135
  593   1HB   GLU  76          2HB       GLU  76  24.446 -11.092 -24.862
  594   2HB   GLU  76          1HB       GLU  76  24.045 -12.189 -23.546
  595   1HG   GLU  76          2HG       GLU  76  25.796 -13.184 -24.789
  596   2HG   GLU  76          1HG       GLU  76  24.323 -14.084 -25.150
  597    H    GLY  77           H        GLY  77  20.144 -12.764 -25.488
  598   1HA   GLY  77          2HA       GLY  77  18.835 -14.584 -25.008
  599   2HA   GLY  77          1HA       GLY  77  20.322 -15.517 -24.951
  600    H    ASN  78           H        ASN  78  20.067 -12.835 -22.802
  601    HA   ASN  78           HA       ASN  78  19.619 -14.710 -20.575
  602   1HB   ASN  78          2HB       ASN  78  20.799 -12.851 -19.225
  603   2HB   ASN  78          1HB       ASN  78  21.783 -13.868 -20.273
  604   1HD2  ASN  78          1HD2      ASN  78  23.070 -12.905 -21.674
  605   2HD2  ASN  78          2HD2      ASN  78  22.994 -11.244 -22.138
  606    H    GLU  79           H        GLU  79  18.644 -11.705 -22.041
  607    HA   GLU  79           HA       GLU  79  16.894 -10.302 -21.665
  608   1HB   GLU  79          2HB       GLU  79  15.804 -12.610 -20.042
  609   2HB   GLU  79          1HB       GLU  79  14.877 -11.245 -20.650
  610   1HG   GLU  79          2HG       GLU  79  15.426 -11.947 -22.953
  611   2HG   GLU  79          1HG       GLU  79  16.245 -13.362 -22.293
  612    H    VAL  80           H        VAL  80  15.319  -9.669 -19.575
  613    HA   VAL  80           HA       VAL  80  17.243  -9.035 -17.433
  614    HB   VAL  80           HB       VAL  80  16.548  -7.054 -18.716
  615   1HG1  VAL  80          1HG1      VAL  80  14.226  -6.254 -18.567
  616   2HG1  VAL  80          2HG1      VAL  80  13.771  -7.764 -17.778
  617   3HG1  VAL  80          3HG1      VAL  80  14.355  -7.780 -19.442
  618   1HG2  VAL  80          1HG2      VAL  80  15.213  -6.829 -16.047
  619   2HG2  VAL  80          2HG2      VAL  80  16.246  -5.669 -16.883
  620   3HG2  VAL  80          3HG2      VAL  80  16.952  -7.112 -16.157
  621    H    VAL  81           H        VAL  81  16.616  -9.238 -15.311
  622    HA   VAL  81           HA       VAL  81  14.008 -10.535 -14.854
  623    HB   VAL  81           HB       VAL  81  15.117 -11.593 -12.845
  624   1HG1  VAL  81          1HG1      VAL  81  15.710 -13.458 -14.049
  625   2HG1  VAL  81          2HG1      VAL  81  16.518 -12.523 -15.306
  626   3HG1  VAL  81          3HG1      VAL  81  14.758 -12.579 -15.245
  627   1HG2  VAL  81          1HG2      VAL  81  17.148  -9.869 -13.327
  628   2HG2  VAL  81          2HG2      VAL  81  17.765 -11.328 -14.101
  629   3HG2  VAL  81          3HG2      VAL  81  17.312 -11.357 -12.396
  630    HA   PRO  82           HA       PRO  82  13.918  -6.562 -12.494
  631   1HB   PRO  82          2HB       PRO  82  11.212  -6.278 -12.698
  632   2HB   PRO  82          1HB       PRO  82  12.347  -5.697 -13.920
  633   1HG   PRO  82          2HG       PRO  82  10.726  -8.213 -13.884
  634   2HG   PRO  82          1HG       PRO  82  11.026  -7.094 -15.227
  635   1HD   PRO  82          2HD       PRO  82  12.363  -9.420 -14.981
  636   2HD   PRO  82          1HD       PRO  82  13.125  -7.963 -15.649
  637    H    LYS  83           H        LYS  83  13.134  -6.136 -10.407
  638    HA   LYS  83           HA       LYS  83  11.926  -8.450  -9.036
  639   1HB   LYS  83          2HB       LYS  83  14.294  -8.093  -8.417
  640   2HB   LYS  83          1HB       LYS  83  13.899  -6.460  -7.897
  641   1HG   LYS  83          2HG       LYS  83  12.137  -8.269  -6.589
  642   2HG   LYS  83          1HG       LYS  83  13.789  -8.862  -6.409
  643   1HD   LYS  83          2HD       LYS  83  12.910  -6.042  -5.797
  644   2HD   LYS  83          1HD       LYS  83  13.070  -7.321  -4.592
  645   1HE   LYS  83          2HE       LYS  83  15.360  -7.336  -4.714
  646   2HE   LYS  83          1HE       LYS  83  15.383  -6.747  -6.375
  647   1HZ   LYS  83          1HZ       LYS  83  16.078  -4.908  -5.239
  648   2HZ   LYS  83          2HZ       LYS  83  15.136  -5.235  -3.873
  649   3HZ   LYS  83          3HZ       LYS  83  14.411  -4.614  -5.269
  650    HA   PRO  84           HA       PRO  84   9.112  -4.756  -8.594
  651   1HB   PRO  84          2HB       PRO  84   6.818  -6.152  -9.024
  652   2HB   PRO  84          1HB       PRO  84   7.774  -5.437 -10.328
  653   1HG   PRO  84          2HG       PRO  84   7.723  -8.266  -9.349
  654   2HG   PRO  84          1HG       PRO  84   7.743  -7.659 -11.015
  655   1HD   PRO  84          2HD       PRO  84   9.966  -8.581  -9.790
  656   2HD   PRO  84          1HD       PRO  84  10.017  -7.261 -10.975
  657    H    GLN  85           H        GLN  85   8.548  -4.202  -6.593
  658    HA   GLN  85           HA       GLN  85   8.190  -6.270  -4.574
  659   1HB   GLN  85          2HB       GLN  85   8.391  -3.262  -4.341
  660   2HB   GLN  85          1HB       GLN  85   8.230  -4.359  -2.977
  661   1HG   GLN  85          2HG       GLN  85  10.352  -5.436  -3.645
  662   2HG   GLN  85          1HG       GLN  85  10.522  -4.230  -4.919
  663   1HE2  GLN  85          1HE2      GLN  85  11.388  -2.307  -4.439
  664   2HE2  GLN  85          2HE2      GLN  85  11.829  -1.789  -2.851
  665    H    ARG  86           H        ARG  86   6.272  -6.871  -3.792
  666    HA   ARG  86           HA       ARG  86   3.943  -5.159  -4.365
  667   1HB   ARG  86          2HB       ARG  86   4.104  -8.177  -4.360
  668   2HB   ARG  86          1HB       ARG  86   2.608  -7.262  -4.490
  669   1HG   ARG  86          2HG       ARG  86   3.483  -6.223  -6.564
  670   2HG   ARG  86          1HG       ARG  86   4.894  -7.278  -6.450
  671   1HD   ARG  86          2HD       ARG  86   3.323  -9.228  -6.463
  672   2HD   ARG  86          1HD       ARG  86   2.014  -8.097  -6.801
  673    HE   ARG  86           HE       ARG  86   4.035  -7.701  -8.695
  674   1HH1  ARG  86          1HH1      ARG  86   1.702 -10.130  -7.781
  675   2HH1  ARG  86          2HH1      ARG  86   1.560 -10.775  -9.380
  676   1HH2  ARG  86          1HH2      ARG  86   3.849  -8.549 -10.801
  677   2HH2  ARG  86          2HH2      ARG  86   2.779  -9.879 -11.096
  678    H    HIS  87           H        HIS  87   2.454  -4.852  -2.767
  679    HA   HIS  87           HA       HIS  87   3.082  -6.039  -0.144
  680   1HB   HIS  87          2HB       HIS  87   2.239  -3.251  -0.891
  681   2HB   HIS  87          1HB       HIS  87   1.932  -3.879   0.725
  682    HD1  HIS  87           HD1      HIS  87   3.714  -3.344   2.341
  683    HD2  HIS  87           HD2      HIS  87   5.180  -3.579  -1.541
  684    HE1  HIS  87           HE1      HIS  87   6.157  -2.772   2.511
  685    HE2  HIS  87           HE2      HIS  87   7.001  -2.829   0.137
  686    H    MET  88           H        MET  88   1.560  -7.363   0.578
  687    HA   MET  88           HA       MET  88  -1.159  -7.117  -0.494
  688   1HB   MET  88          2HB       MET  88   0.138  -9.406   0.997
  689   2HB   MET  88          1HB       MET  88  -1.483  -9.416   0.317
  690   1HG   MET  88          2HG       MET  88  -0.552  -9.170  -1.922
  691   2HG   MET  88          1HG       MET  88   1.076  -9.147  -1.246
  692   1HE   MET  88          1HE       MET  88   0.578 -12.292  -3.337
  693   2HE   MET  88          2HE       MET  88   2.065 -11.934  -2.456
  694   3HE   MET  88          3HE       MET  88   1.164 -10.631  -3.232
  695    H    PHE  89           H        PHE  89  -2.720  -6.292   0.723
  696    HA   PHE  89           HA       PHE  89  -2.338  -6.235   3.645
  697   1HB   PHE  89          2HB       PHE  89  -3.675  -4.250   1.807
  698   2HB   PHE  89          1HB       PHE  89  -3.871  -4.216   3.557
  699    HD1  PHE  89           HD1      PHE  89  -1.900  -3.818   5.003
  700    HD2  PHE  89           HD2      PHE  89  -1.731  -3.413   0.772
  701    HE1  PHE  89           HE1      PHE  89   0.172  -2.501   5.214
  702    HE2  PHE  89           HE2      PHE  89   0.338  -2.101   0.972
  703    HZ   PHE  89           HZ       PHE  89   1.294  -1.642   3.196
  704    H    SER  90           H        SER  90  -4.240  -6.349   4.961
  705    HA   SER  90           HA       SER  90  -6.514  -7.698   3.655
  706   1HB   SER  90          2HB       SER  90  -4.773  -9.003   5.283
  707   2HB   SER  90          1HB       SER  90  -5.954  -8.437   6.463
  708    HG   SER  90           HG       SER  90  -7.550  -9.529   5.376
  709    H    PHE  91           H        PHE  91  -8.466  -6.851   4.105
  710    HA   PHE  91           HA       PHE  91  -8.582  -4.796   6.200
  711   1HB   PHE  91          2HB       PHE  91  -9.965  -5.108   3.562
  712   2HB   PHE  91          1HB       PHE  91 -10.693  -4.127   4.831
  713    HD1  PHE  91           HD1      PHE  91  -7.641  -4.540   2.790
  714    HD2  PHE  91           HD2      PHE  91  -9.974  -1.962   5.236
  715    HE1  PHE  91           HE1      PHE  91  -6.202  -2.657   2.150
  716    HE2  PHE  91           HE2      PHE  91  -8.538  -0.057   4.600
  717    HZ   PHE  91           HZ       PHE  91  -6.648  -0.405   3.055
  718    H    ASN  92           H        ASN  92 -10.399  -4.610   7.506
  719    HA   ASN  92           HA       ASN  92 -11.904  -7.113   7.831
  720   1HB   ASN  92          2HB       ASN  92 -11.329  -4.923   9.843
  721   2HB   ASN  92          1HB       ASN  92 -12.281  -6.370  10.163
  722   1HD2  ASN  92          1HD2      ASN  92 -10.871  -8.341   9.020
  723   2HD2  ASN  92          2HD2      ASN  92  -9.312  -8.482   9.750
  724    H    ASN  93           H        ASN  93 -12.284  -4.346   6.274
  725    HA   ASN  93           HA       ASN  93 -15.147  -4.389   6.576
  726   1HB   ASN  93          2HB       ASN  93 -13.947  -2.675   8.239
  727   2HB   ASN  93          1HB       ASN  93 -14.011  -1.657   6.801
  728   1HD2  ASN  93          1HD2      ASN  93 -15.634  -0.302   7.005
  729   2HD2  ASN  93          2HD2      ASN  93 -17.229  -0.695   7.538
  730    H    ARG  94           H        ARG  94 -16.022  -4.255   4.634
  731    HA   ARG  94           HA       ARG  94 -14.493  -3.728   2.319
  732   1HB   ARG  94          2HB       ARG  94 -16.463  -5.205   2.324
  733   2HB   ARG  94          1HB       ARG  94 -17.500  -3.820   2.637
  734   1HG   ARG  94          2HG       ARG  94 -16.790  -2.842   0.486
  735   2HG   ARG  94          1HG       ARG  94 -15.844  -4.300   0.169
  736   1HD   ARG  94          2HD       ARG  94 -17.938  -5.626   0.375
  737   2HD   ARG  94          1HD       ARG  94 -18.834  -4.115   0.524
  738    HE   ARG  94           HE       ARG  94 -17.753  -5.261  -1.879
  739   1HH1  ARG  94          1HH1      ARG  94 -18.772  -2.305  -0.329
  740   2HH1  ARG  94          2HH1      ARG  94 -19.094  -1.488  -1.821
  741   1HH2  ARG  94          1HH2      ARG  94 -18.175  -4.189  -3.841
  742   2HH2  ARG  94          2HH2      ARG  94 -18.755  -2.557  -3.816
  743    H    THR  95           H        THR  95 -16.401  -1.704   4.398
  744    HA   THR  95           HA       THR  95 -16.663   0.438   2.540
  745    HB   THR  95           HB       THR  95 -17.439  -0.137   5.308
  746    HG1  THR  95           HG1      THR  95 -19.289   0.982   4.615
  747   1HG2  THR  95          1HG2      THR  95 -16.751   2.674   4.528
  748   2HG2  THR  95          2HG2      THR  95 -16.228   1.769   5.948
  749   3HG2  THR  95          3HG2      THR  95 -17.910   2.276   5.797
  750    H    VAL  96           H        VAL  96 -14.618  -0.292   5.282
  751    HA   VAL  96           HA       VAL  96 -13.099   2.092   5.164
  752    HB   VAL  96           HB       VAL  96 -12.375  -0.566   6.400
  753   1HG1  VAL  96          1HG1      VAL  96 -11.024   2.094   6.398
  754   2HG1  VAL  96          2HG1      VAL  96 -10.328   0.476   6.290
  755   3HG1  VAL  96          3HG1      VAL  96 -10.926   1.078   7.836
  756   1HG2  VAL  96          1HG2      VAL  96 -13.887  -0.062   7.949
  757   2HG2  VAL  96          2HG2      VAL  96 -14.226   1.488   7.179
  758   3HG2  VAL  96          3HG2      VAL  96 -12.928   1.358   8.368
  759    H    MET  97           H        MET  97 -12.855  -1.021   3.631
  760    HA   MET  97           HA       MET  97 -10.196  -0.611   2.646
  761   1HB   MET  97          2HB       MET  97 -10.353  -2.703   1.689
  762   2HB   MET  97          1HB       MET  97 -11.514  -2.845   2.999
  763   1HG   MET  97          2HG       MET  97 -13.335  -2.417   1.440
  764   2HG   MET  97          1HG       MET  97 -12.178  -2.254   0.123
  765   1HE   MET  97          1HE       MET  97 -10.090  -4.823   0.852
  766   2HE   MET  97          2HE       MET  97 -10.607  -4.035  -0.640
  767   3HE   MET  97          3HE       MET  97 -10.833  -5.773  -0.435
  768    H    ASP  98           H        ASP  98 -13.439  -0.013   1.458
  769    HA   ASP  98           HA       ASP  98 -12.620   0.605  -1.201
  770   1HB   ASP  98          2HB       ASP  98 -15.182   1.113   0.309
  771   2HB   ASP  98          1HB       ASP  98 -14.952   1.579  -1.374
  772    H    ASN  99           H        ASN  99 -12.951   2.363   1.761
  773    HA   ASN  99           HA       ASN  99 -12.945   4.963   0.614
  774   1HB   ASN  99          2HB       ASN  99 -12.289   4.024   3.409
  775   2HB   ASN  99          1HB       ASN  99 -12.413   5.716   2.940
  776   1HD2  ASN  99          1HD2      ASN  99 -13.970   4.565   4.932
  777   2HD2  ASN  99          2HD2      ASN  99 -15.618   4.558   4.414
  778    H    ILE 100           H        ILE 100 -10.510   2.716   1.633
  779    HA   ILE 100           HA       ILE 100  -8.350   4.629   1.391
  780    HB   ILE 100           HB       ILE 100  -8.250   1.636   1.803
  781   1HG1  ILE 100          2HG1      ILE 100  -9.369   2.936   3.626
  782   2HG1  ILE 100          1HG1      ILE 100  -7.902   2.108   4.141
  783   1HG2  ILE 100          1HG2      ILE 100  -5.922   2.327   2.725
  784   2HG2  ILE 100          2HG2      ILE 100  -6.142   3.754   1.713
  785   3HG2  ILE 100          3HG2      ILE 100  -6.151   2.147   0.986
  786   1HD1  ILE 100          1HD1      ILE 100  -8.243   5.038   3.565
  787   2HD1  ILE 100          2HD1      ILE 100  -6.686   4.265   3.863
  788   3HD1  ILE 100          3HD1      ILE 100  -7.922   4.271   5.121
  789    H    LYS 101           H        LYS 101  -9.523   1.767  -0.353
  790    HA   LYS 101           HA       LYS 101  -7.554   1.698  -2.338
  791   1HB   LYS 101          2HB       LYS 101  -9.130  -0.138  -1.964
  792   2HB   LYS 101          1HB       LYS 101 -10.459   0.874  -2.513
  793   1HG   LYS 101          2HG       LYS 101  -9.535   0.955  -4.740
  794   2HG   LYS 101          1HG       LYS 101  -8.111   0.056  -4.211
  795   1HD   LYS 101          2HD       LYS 101  -9.600  -1.465  -5.321
  796   2HD   LYS 101          1HD       LYS 101  -9.609  -1.834  -3.596
  797   1HE   LYS 101          2HE       LYS 101 -11.633   0.102  -4.531
  798   2HE   LYS 101          1HE       LYS 101 -11.839  -1.562  -5.075
  799   1HZ   LYS 101          1HZ       LYS 101 -12.309  -2.276  -3.003
  800   2HZ   LYS 101          2HZ       LYS 101 -12.783  -0.670  -2.772
  801   3HZ   LYS 101          3HZ       LYS 101 -11.260  -1.185  -2.249
  802    H    MET 102           H        MET 102 -10.631   3.434  -2.192
  803    HA   MET 102           HA       MET 102 -10.485   4.495  -4.811
  804   1HB   MET 102          2HB       MET 102 -12.604   4.350  -3.616
  805   2HB   MET 102          1HB       MET 102 -12.009   5.460  -2.390
  806   1HG   MET 102          2HG       MET 102 -13.282   6.855  -3.670
  807   2HG   MET 102          1HG       MET 102 -11.699   7.078  -4.409
  808   1HE   MET 102          1HE       MET 102 -15.555   5.843  -5.931
  809   2HE   MET 102          2HE       MET 102 -14.961   5.519  -4.302
  810   3HE   MET 102          3HE       MET 102 -14.896   4.257  -5.532
  811    H    THR 103           H        THR 103  -9.416   5.627  -1.687
  812    HA   THR 103           HA       THR 103  -8.645   8.209  -2.601
  813    HB   THR 103           HB       THR 103  -8.641   6.731  -0.088
  814    HG1  THR 103           HG1      THR 103  -9.895   8.458  -0.088
  815   1HG2  THR 103          1HG2      THR 103  -6.889   8.042   1.016
  816   2HG2  THR 103          2HG2      THR 103  -6.348   8.622  -0.559
  817   3HG2  THR 103          3HG2      THR 103  -6.241   6.906  -0.166
  818    H    LEU 104           H        LEU 104  -7.087   5.098  -2.246
  819    HA   LEU 104           HA       LEU 104  -4.433   6.014  -2.702
  820   1HB   LEU 104          2HB       LEU 104  -5.744   3.311  -2.905
  821   2HB   LEU 104          1HB       LEU 104  -4.051   3.556  -3.293
  822    HG   LEU 104           HG       LEU 104  -5.260   4.220  -0.610
  823   1HD1  LEU 104          1HD1      LEU 104  -3.695   1.773  -1.416
  824   2HD1  LEU 104          2HD1      LEU 104  -5.427   1.813  -1.089
  825   3HD1  LEU 104          3HD1      LEU 104  -4.278   2.162   0.203
  826   1HD2  LEU 104          1HD2      LEU 104  -2.913   4.240   0.112
  827   2HD2  LEU 104          2HD2      LEU 104  -3.235   5.456  -1.123
  828   3HD2  LEU 104          3HD2      LEU 104  -2.406   3.960  -1.553
  829    H    GLN 105           H        GLN 105  -7.084   4.992  -4.761
  830    HA   GLN 105           HA       GLN 105  -5.577   4.714  -7.142
  831   1HB   GLN 105          2HB       GLN 105  -8.498   5.133  -6.575
  832   2HB   GLN 105          1HB       GLN 105  -7.889   5.107  -8.225
  833   1HG   GLN 105          2HG       GLN 105  -7.052   2.860  -7.915
  834   2HG   GLN 105          1HG       GLN 105  -7.558   2.880  -6.226
  835   1HE2  GLN 105          1HE2      GLN 105  -8.573   2.605  -9.522
  836   2HE2  GLN 105          2HE2      GLN 105 -10.198   2.117  -9.202
  837    H    GLN 106           H        GLN 106  -7.117   7.417  -5.571
  838    HA   GLN 106           HA       GLN 106  -6.962   9.231  -7.728
  839   1HB   GLN 106          2HB       GLN 106  -7.039   9.705  -4.744
  840   2HB   GLN 106          1HB       GLN 106  -7.140  10.991  -5.938
  841   1HG   GLN 106          2HG       GLN 106  -9.169   9.907  -6.859
  842   2HG   GLN 106          1HG       GLN 106  -9.090   8.735  -5.546
  843   1HE2  GLN 106          1HE2      GLN 106  -8.620  10.059  -3.353
  844   2HE2  GLN 106          2HE2      GLN 106  -9.800  11.283  -3.050
  845    H    ILE 107           H        ILE 107  -4.743   8.395  -5.123
  846    HA   ILE 107           HA       ILE 107  -2.814  10.378  -5.553
  847    HB   ILE 107           HB       ILE 107  -2.426   7.533  -4.606
  848   1HG1  ILE 107          2HG1      ILE 107  -2.555  10.040  -2.935
  849   2HG1  ILE 107          1HG1      ILE 107  -3.989   9.090  -3.313
  850   1HG2  ILE 107          1HG2      ILE 107  -0.501   9.346  -3.546
  851   2HG2  ILE 107          2HG2      ILE 107  -0.499   9.474  -5.306
  852   3HG2  ILE 107          3HG2      ILE 107  -0.246   7.907  -4.536
  853   1HD1  ILE 107          1HD1      ILE 107  -2.064   7.286  -2.351
  854   2HD1  ILE 107          2HD1      ILE 107  -3.551   7.818  -1.565
  855   3HD1  ILE 107          3HD1      ILE 107  -2.042   8.683  -1.274
  856    H    ILE 108           H        ILE 108  -3.228   7.177  -6.974
  857    HA   ILE 108           HA       ILE 108  -0.955   6.980  -8.545
  858    HB   ILE 108           HB       ILE 108  -3.657   6.157  -9.565
  859   1HG1  ILE 108          2HG1      ILE 108  -3.742   5.368  -7.343
  860   2HG1  ILE 108          1HG1      ILE 108  -3.251   3.986  -8.314
  861   1HG2  ILE 108          1HG2      ILE 108  -2.219   4.159 -10.297
  862   2HG2  ILE 108          2HG2      ILE 108  -0.848   5.216  -9.951
  863   3HG2  ILE 108          3HG2      ILE 108  -2.048   5.692 -11.153
  864   1HD1  ILE 108          1HD1      ILE 108  -1.094   4.011  -7.486
  865   2HD1  ILE 108          2HD1      ILE 108  -2.067   4.437  -6.078
  866   3HD1  ILE 108          3HD1      ILE 108  -1.205   5.694  -6.965
  867    H    SER 109           H        SER 109  -4.083   8.284  -9.373
  868    HA   SER 109           HA       SER 109  -3.550   9.159 -11.954
  869   1HB   SER 109          2HB       SER 109  -5.814   9.073 -10.943
  870   2HB   SER 109          1HB       SER 109  -5.404  10.482  -9.964
  871    HG   SER 109           HG       SER 109  -5.377  10.417 -12.802
  872    H    ARG 110           H        ARG 110  -2.707  10.582  -8.911
  873    HA   ARG 110           HA       ARG 110  -2.087  13.165  -9.903
  874   1HB   ARG 110          2HB       ARG 110  -1.070  11.822  -7.399
  875   2HB   ARG 110          1HB       ARG 110  -1.013  13.544  -7.746
  876   1HG   ARG 110          2HG       ARG 110  -3.678  12.289  -7.855
  877   2HG   ARG 110          1HG       ARG 110  -2.921  12.387  -6.264
  878   1HD   ARG 110          2HD       ARG 110  -2.761  14.736  -6.374
  879   2HD   ARG 110          1HD       ARG 110  -3.098  14.756  -8.104
  880    HE   ARG 110           HE       ARG 110  -5.323  14.780  -7.613
  881   1HH1  ARG 110          1HH1      ARG 110  -3.598  13.590  -4.822
  882   2HH1  ARG 110          2HH1      ARG 110  -5.008  13.533  -3.819
  883   1HH2  ARG 110          1HH2      ARG 110  -7.179  14.705  -6.295
  884   2HH2  ARG 110          2HH2      ARG 110  -7.042  14.166  -4.654
  885    H    TYR 111           H        TYR 111  -0.317  10.196  -9.525
  886    HA   TYR 111           HA       TYR 111   2.255  11.326 -10.029
  887   1HB   TYR 111          2HB       TYR 111   1.181   8.523  -9.960
  888   2HB   TYR 111          1HB       TYR 111   2.819   8.843 -10.521
  889    HD1  TYR 111           HD1      TYR 111   4.392  10.090  -8.934
  890    HD2  TYR 111           HD2      TYR 111   0.723   8.346  -7.671
  891    HE1  TYR 111           HE1      TYR 111   5.188  10.116  -6.607
  892    HE2  TYR 111           HE2      TYR 111   1.510   8.365  -5.342
  893    HH   TYR 111           HH       TYR 111   3.712   8.386  -4.141
  894    H    LYS 112           H        LYS 112  -0.335  10.143 -11.982
  895    HA   LYS 112           HA       LYS 112   1.152   9.796 -14.379
  896   1HB   LYS 112          2HB       LYS 112  -1.814  10.267 -14.039
  897   2HB   LYS 112          1HB       LYS 112  -1.021   9.634 -15.477
  898   1HG   LYS 112          2HG       LYS 112  -1.129   8.295 -12.780
  899   2HG   LYS 112          1HG       LYS 112  -2.079   7.858 -14.202
  900   1HD   LYS 112          2HD       LYS 112  -0.428   6.557 -14.927
  901   2HD   LYS 112          1HD       LYS 112   0.674   7.936 -14.940
  902   1HE   LYS 112          2HE       LYS 112   1.812   6.786 -13.389
  903   2HE   LYS 112          1HE       LYS 112   0.556   7.339 -12.282
  904   1HZ   LYS 112          1HZ       LYS 112   0.389   4.797 -13.799
  905   2HZ   LYS 112          2HZ       LYS 112  -0.608   5.304 -12.531
  906   3HZ   LYS 112          3HZ       LYS 112   1.007   4.906 -12.228
  907    H    ASP 113           H        ASP 113  -0.518  12.470 -12.862
  908    HA   ASP 113           HA       ASP 113  -0.732  14.201 -15.045
  909   1HB   ASP 113          2HB       ASP 113  -1.769  14.547 -12.792
  910   2HB   ASP 113          1HB       ASP 113  -0.180  14.996 -12.179
  911    H    ALA 114           H        ALA 114   1.927  13.729 -12.747
  912    HA   ALA 114           HA       ALA 114   3.589  15.760 -13.794
  913   1HB   ALA 114          1HB       ALA 114   5.412  14.391 -12.604
  914   2HB   ALA 114          2HB       ALA 114   4.080  13.376 -12.047
  915   3HB   ALA 114          3HB       ALA 114   4.119  15.089 -11.628
  916    H    ASP 115           H        ASP 115   3.487  12.250 -14.325
  917    HA   ASP 115           HA       ASP 115   4.348  10.923 -15.960
  918   1HB   ASP 115          2HB       ASP 115   3.849  13.504 -17.398
  919   2HB   ASP 115          1HB       ASP 115   4.659  12.183 -18.238
  Start of MODEL   10
    1    HT1  PRO   1           HT2      PRO   1 -12.396  12.122   6.767
    2    HT2  PRO   1           HT1      PRO   1 -13.022  10.561   6.493
    3    HA   PRO   1           HA       PRO   1 -10.416  11.354   6.895
    4   1HB   PRO   1          2HB       PRO   1 -10.923   9.215   8.849
    5   2HB   PRO   1          1HB       PRO   1  -9.882  10.637   8.977
    6   1HG   PRO   1          2HG       PRO   1 -12.244  10.435  10.296
    7   2HG   PRO   1          1HG       PRO   1 -11.578  11.981   9.745
    8   1HD   PRO   1          2HD       PRO   1 -13.799  10.349   8.589
    9   2HD   PRO   1          1HD       PRO   1 -13.612  12.112   8.657
   10    H    SER   2           H        SER   2 -11.922  10.239   4.851
   11    HA   SER   2           HA       SER   2 -11.907   7.450   4.677
   12   1HB   SER   2          2HB       SER   2 -11.564   9.431   2.413
   13   2HB   SER   2          1HB       SER   2 -12.102   7.759   2.262
   14    HG   SER   2           HG       SER   2 -13.724   9.596   2.396
   15    H    HIS   3           H        HIS   3  -9.387   9.815   4.063
   16    HA   HIS   3           HA       HIS   3  -7.562   8.183   2.717
   17   1HB   HIS   3          2HB       HIS   3  -7.240  10.613   4.456
   18   2HB   HIS   3          1HB       HIS   3  -5.837   9.790   3.781
   19    HD1  HIS   3           HD1      HIS   3  -8.637  12.049   2.887
   20    HD2  HIS   3           HD2      HIS   3  -5.598   9.974   0.958
   21    HE1  HIS   3           HE1      HIS   3  -8.528  13.019   0.571
   22    HE2  HIS   3           HE2      HIS   3  -6.624  11.808  -0.550
   23    H    SER   4           H        SER   4  -8.476   8.279   6.035
   24    HA   SER   4           HA       SER   4  -6.315   6.383   6.688
   25   1HB   SER   4          2HB       SER   4  -6.555   7.113   9.036
   26   2HB   SER   4          1HB       SER   4  -6.123   8.455   7.976
   27    HG   SER   4           HG       SER   4  -8.305   9.087   7.994
   28    H    GLY   5           H        GLY   5  -6.895   4.384   7.168
   29   1HA   GLY   5          2HA       GLY   5  -9.424   3.821   8.472
   30   2HA   GLY   5          1HA       GLY   5  -9.277   3.199   6.835
   31    H    ALA   6           H        ALA   6  -9.565   1.700   9.317
   32    HA   ALA   6           HA       ALA   6  -7.100   0.609  10.127
   33   1HB   ALA   6          1HB       ALA   6  -8.426  -1.217  11.089
   34   2HB   ALA   6          2HB       ALA   6  -9.854  -0.604  10.253
   35   3HB   ALA   6          3HB       ALA   6  -9.074   0.371  11.500
   36    H    ALA   7           H        ALA   7  -5.939  -1.116   9.455
   37    HA   ALA   7           HA       ALA   7  -6.925  -2.915   7.443
   38   1HB   ALA   7          1HB       ALA   7  -6.264  -0.991   6.080
   39   2HB   ALA   7          2HB       ALA   7  -5.256  -2.402   5.753
   40   3HB   ALA   7          3HB       ALA   7  -4.635  -1.085   6.751
   41    H    ILE   8           H        ILE   8  -5.694  -4.800   7.215
   42    HA   ILE   8           HA       ILE   8  -3.732  -5.214   9.345
   43    HB   ILE   8           HB       ILE   8  -4.938  -7.267   7.500
   44   1HG1  ILE   8          2HG1      ILE   8  -5.802  -6.731  10.331
   45   2HG1  ILE   8          1HG1      ILE   8  -6.593  -5.980   8.944
   46   1HG2  ILE   8          1HG2      ILE   8  -2.751  -7.617   8.948
   47   2HG2  ILE   8          2HG2      ILE   8  -3.950  -8.891   8.749
   48   3HG2  ILE   8          3HG2      ILE   8  -3.939  -7.914  10.216
   49   1HD1  ILE   8          1HD1      ILE   8  -7.535  -8.174   9.933
   50   2HD1  ILE   8          2HD1      ILE   8  -6.220  -8.929   9.025
   51   3HD1  ILE   8          3HD1      ILE   8  -7.438  -7.965   8.182
   52    H    PHE   9           H        PHE   9  -1.686  -5.916   9.005
   53    HA   PHE   9           HA       PHE   9  -0.770  -6.437   6.293
   54   1HB   PHE   9          2HB       PHE   9  -0.438  -4.024   6.554
   55   2HB   PHE   9          1HB       PHE   9   0.469  -4.298   8.034
   56    HD1  PHE   9           HD1      PHE   9   2.716  -3.976   7.794
   57    HD2  PHE   9           HD2      PHE   9   0.531  -5.690   4.573
   58    HE1  PHE   9           HE1      PHE   9   4.795  -4.158   6.489
   59    HE2  PHE   9           HE2      PHE   9   2.605  -5.877   3.259
   60    HZ   PHE   9           HZ       PHE   9   4.740  -5.110   4.218
   61    H    GLU  10           H        GLU  10  -0.018  -8.420   6.585
   62    HA   GLU  10           HA       GLU  10   1.441 -10.059   7.188
   63   1HB   GLU  10          2HB       GLU  10   2.570  -8.159   9.237
   64   2HB   GLU  10          1HB       GLU  10   3.315  -9.626   8.625
   65   1HG   GLU  10          2HG       GLU  10   3.440  -8.586   6.390
   66   2HG   GLU  10          1HG       GLU  10   2.794  -7.098   7.080
   67    H    LYS  11           H        LYS  11  -1.069 -10.197   8.102
   68    HA   LYS  11           HA       LYS  11  -2.393 -11.240   9.583
   69   1HB   LYS  11          2HB       LYS  11   0.325 -12.168  10.317
   70   2HB   LYS  11          1HB       LYS  11  -1.019 -12.596  11.371
   71   1HG   LYS  11          2HG       LYS  11  -2.080 -13.833   9.698
   72   2HG   LYS  11          1HG       LYS  11  -1.122 -13.079   8.419
   73   1HD   LYS  11          2HD       LYS  11   0.058 -14.847  10.557
   74   2HD   LYS  11          1HD       LYS  11  -0.491 -15.451   8.992
   75   1HE   LYS  11          2HE       LYS  11   1.304 -13.127   8.868
   76   2HE   LYS  11          1HE       LYS  11   2.033 -14.591   9.525
   77   1HZ   LYS  11          1HZ       LYS  11   2.274 -14.391   7.099
   78   2HZ   LYS  11          2HZ       LYS  11   0.592 -14.450   6.933
   79   3HZ   LYS  11          3HZ       LYS  11   1.426 -15.785   7.550
   80    H    VAL  12           H        VAL  12  -0.972  -8.502  10.299
   81    HA   VAL  12           HA       VAL  12  -1.999  -8.484  13.031
   82    HB   VAL  12           HB       VAL  12   0.303  -6.826  12.002
   83   1HG1  VAL  12          1HG1      VAL  12   0.240  -5.612  13.889
   84   2HG1  VAL  12          2HG1      VAL  12  -0.162  -7.009  14.888
   85   3HG1  VAL  12          3HG1      VAL  12  -1.430  -6.168  13.998
   86   1HG2  VAL  12          1HG2      VAL  12   1.387  -8.246  13.985
   87   2HG2  VAL  12          2HG2      VAL  12   1.383  -8.794  12.309
   88   3HG2  VAL  12          3HG2      VAL  12   0.176  -9.406  13.440
   89    H    SER  13           H        SER  13  -3.414  -6.843  13.517
   90    HA   SER  13           HA       SER  13  -4.218  -5.207  11.225
   91   1HB   SER  13          2HB       SER  13  -5.926  -6.660  12.325
   92   2HB   SER  13          1HB       SER  13  -5.734  -5.708  13.797
   93    HG   SER  13           HG       SER  13  -7.181  -5.161  11.584
   94    H    GLY  14           H        GLY  14  -4.419  -3.041  11.288
   95   1HA   GLY  14          2HA       GLY  14  -3.996  -1.518  13.693
   96   2HA   GLY  14          1HA       GLY  14  -2.628  -1.474  12.586
   97    H    ILE  15           H        ILE  15  -3.546   0.908  12.944
   98    HA   ILE  15           HA       ILE  15  -5.683   1.471  11.052
   99    HB   ILE  15           HB       ILE  15  -4.190   3.267  12.956
  100   1HG1  ILE  15          2HG1      ILE  15  -6.385   1.492  13.248
  101   2HG1  ILE  15          1HG1      ILE  15  -5.733   2.613  14.441
  102   1HG2  ILE  15          1HG2      ILE  15  -5.846   5.000  12.334
  103   2HG2  ILE  15          2HG2      ILE  15  -6.422   3.947  11.042
  104   3HG2  ILE  15          3HG2      ILE  15  -4.770   4.565  11.004
  105   1HD1  ILE  15          1HD1      ILE  15  -7.232   4.367  13.498
  106   2HD1  ILE  15          2HD1      ILE  15  -8.073   3.001  14.233
  107   3HD1  ILE  15          3HD1      ILE  15  -7.953   3.121  12.477
  108    H    ILE  16           H        ILE  16  -5.362   2.063   9.056
  109    HA   ILE  16           HA       ILE  16  -2.652   2.708   8.163
  110    HB   ILE  16           HB       ILE  16  -4.882   1.189   7.087
  111   1HG1  ILE  16          2HG1      ILE  16  -1.955   1.480   6.422
  112   2HG1  ILE  16          1HG1      ILE  16  -2.739   0.212   7.351
  113   1HG2  ILE  16          1HG2      ILE  16  -3.712   3.323   5.310
  114   2HG2  ILE  16          2HG2      ILE  16  -5.409   3.021   5.674
  115   3HG2  ILE  16          3HG2      ILE  16  -4.503   1.874   4.690
  116   1HD1  ILE  16          1HD1      ILE  16  -2.211   0.322   4.559
  117   2HD1  ILE  16          2HD1      ILE  16  -3.953   0.217   4.816
  118   3HD1  ILE  16          3HD1      ILE  16  -2.884  -1.000   5.513
  119    H    ALA  17           H        ALA  17  -2.155   4.740   7.707
  120    HA   ALA  17           HA       ALA  17  -4.322   6.598   6.974
  121   1HB   ALA  17          1HB       ALA  17  -3.450   7.175   9.152
  122   2HB   ALA  17          2HB       ALA  17  -2.965   8.396   7.975
  123   3HB   ALA  17          3HB       ALA  17  -1.803   7.186   8.522
  124    H    ILE  18           H        ILE  18  -4.002   7.950   5.249
  125    HA   ILE  18           HA       ILE  18  -1.616   7.393   3.628
  126    HB   ILE  18           HB       ILE  18  -4.471   7.760   2.986
  127   1HG1  ILE  18          2HG1      ILE  18  -2.268   6.470   1.379
  128   2HG1  ILE  18          1HG1      ILE  18  -3.061   5.666   2.732
  129   1HG2  ILE  18          1HG2      ILE  18  -2.334   9.111   1.378
  130   2HG2  ILE  18          2HG2      ILE  18  -3.878   9.752   1.937
  131   3HG2  ILE  18          3HG2      ILE  18  -3.838   8.554   0.643
  132   1HD1  ILE  18          1HD1      ILE  18  -4.141   6.375   0.051
  133   2HD1  ILE  18          2HD1      ILE  18  -5.238   6.234   1.424
  134   3HD1  ILE  18          3HD1      ILE  18  -4.246   4.859   0.945
  135    H    ASN  19           H        ASN  19  -0.144   8.943   3.874
  136    HA   ASN  19           HA       ASN  19  -1.041  11.723   4.179
  137   1HB   ASN  19          2HB       ASN  19   1.630  10.430   4.771
  138   2HB   ASN  19          1HB       ASN  19   1.298  12.151   4.944
  139   1HD2  ASN  19          1HD2      ASN  19   2.180  10.542   7.033
  140   2HD2  ASN  19          2HD2      ASN  19   0.927  10.438   8.219
  141    H    GLU  20           H        GLU  20  -1.184  12.750   2.296
  142    HA   GLU  20           HA       GLU  20   0.651  12.063   0.135
  143   1HB   GLU  20          2HB       GLU  20  -0.848  13.702  -1.161
  144   2HB   GLU  20          1HB       GLU  20  -1.543  12.162  -0.672
  145   1HG   GLU  20          2HG       GLU  20  -2.983  13.115   0.785
  146   2HG   GLU  20          1HG       GLU  20  -1.876  14.423   1.199
  147    H    ASP  21           H        ASP  21   0.305  14.406   2.575
  148    HA   ASP  21           HA       ASP  21   1.293  16.714   1.390
  149   1HB   ASP  21          2HB       ASP  21   1.676  15.649   4.193
  150   2HB   ASP  21          1HB       ASP  21   2.157  17.269   3.692
  151    H    VAL  22           H        VAL  22   2.874  13.751   2.110
  152    HA   VAL  22           HA       VAL  22   5.535  14.821   2.009
  153    HB   VAL  22           HB       VAL  22   4.994  11.935   1.713
  154   1HG1  VAL  22          1HG1      VAL  22   7.158  13.672   2.693
  155   2HG1  VAL  22          2HG1      VAL  22   7.238  12.150   1.806
  156   3HG1  VAL  22          3HG1      VAL  22   6.934  12.142   3.543
  157   1HG2  VAL  22          1HG2      VAL  22   5.084  12.098   4.391
  158   2HG2  VAL  22          2HG2      VAL  22   3.581  12.027   3.473
  159   3HG2  VAL  22          3HG2      VAL  22   4.205  13.583   4.021
  160    H    SER  23           H        SER  23   7.101  14.263   0.399
  161    HA   SER  23           HA       SER  23   5.993  13.357  -2.159
  162   1HB   SER  23          2HB       SER  23   7.729  15.213  -3.058
  163   2HB   SER  23          1HB       SER  23   6.019  15.544  -2.784
  164    HG   SER  23           HG       SER  23   7.776  16.958  -1.785
  165    HA   PRO  24           HA       PRO  24   6.189  11.813  -3.356
  166   1HB   PRO  24          2HB       PRO  24   6.491   9.130  -3.206
  167   2HB   PRO  24          1HB       PRO  24   7.291  10.110  -4.442
  168   1HG   PRO  24          2HG       PRO  24   8.392   9.032  -1.874
  169   2HG   PRO  24          1HG       PRO  24   9.136   9.064  -3.483
  170   1HD   PRO  24          2HD       PRO  24   9.746  10.867  -1.553
  171   2HD   PRO  24          1HD       PRO  24   9.776  11.268  -3.282
  172    H    ALA  25           H        ALA  25   4.220  11.135  -2.570
  173    HA   ALA  25           HA       ALA  25   3.690  11.316   0.148
  174   1HB   ALA  25          1HB       ALA  25   2.117  10.058  -2.088
  175   2HB   ALA  25          2HB       ALA  25   1.906  11.653  -1.367
  176   3HB   ALA  25          3HB       ALA  25   1.493  10.207  -0.445
  177    H    GLU  26           H        GLU  26   2.515   9.489   1.412
  178    HA   GLU  26           HA       GLU  26   3.574   6.837   0.940
  179   1HB   GLU  26          2HB       GLU  26   4.391   8.396   3.395
  180   2HB   GLU  26          1HB       GLU  26   4.686   6.682   3.141
  181   1HG   GLU  26          2HG       GLU  26   6.038   7.251   1.152
  182   2HG   GLU  26          1HG       GLU  26   5.809   8.958   1.526
  183    H    LEU  27           H        LEU  27   2.740   5.231   2.391
  184    HA   LEU  27           HA       LEU  27   0.215   6.037   3.678
  185   1HB   LEU  27          2HB       LEU  27  -0.548   4.662   2.020
  186   2HB   LEU  27          1HB       LEU  27   0.952   3.764   1.922
  187    HG   LEU  27           HG       LEU  27   0.341   2.510   3.944
  188   1HD1  LEU  27          1HD1      LEU  27  -1.913   2.705   4.867
  189   2HD1  LEU  27          2HD1      LEU  27  -2.237   4.065   3.792
  190   3HD1  LEU  27          3HD1      LEU  27  -1.008   4.206   5.048
  191   1HD2  LEU  27          1HD2      LEU  27  -1.848   1.499   2.892
  192   2HD2  LEU  27          2HD2      LEU  27  -0.282   1.299   2.106
  193   3HD2  LEU  27          3HD2      LEU  27  -1.404   2.534   1.534
  194    H    THR  28           H        THR  28   0.394   5.998   5.841
  195    HA   THR  28           HA       THR  28   2.397   4.382   7.120
  196    HB   THR  28           HB       THR  28   0.578   5.931   8.783
  197    HG1  THR  28           HG1      THR  28   2.092   7.313   6.836
  198   1HG2  THR  28          1HG2      THR  28   2.795   5.181   9.510
  199   2HG2  THR  28          2HG2      THR  28   2.601   6.931   9.604
  200   3HG2  THR  28          3HG2      THR  28   3.512   6.215   8.276
  201    H    TRP  29           H        TRP  29   1.996   2.833   8.671
  202    HA   TRP  29           HA       TRP  29  -0.765   1.971   9.084
  203   1HB   TRP  29          2HB       TRP  29   0.168   0.497   7.370
  204   2HB   TRP  29          1HB       TRP  29   1.561   0.160   8.397
  205    HD1  TRP  29           HD1      TRP  29  -2.243   0.028   9.083
  206    HE1  TRP  29           HE1      TRP  29  -2.790  -2.257  10.155
  207    HE3  TRP  29           HE3      TRP  29   2.443  -2.007   9.082
  208    HZ2  TRP  29           HZ2      TRP  29  -1.407  -4.582  10.901
  209    HZ3  TRP  29           HZ3      TRP  29   2.743  -4.274  10.002
  210    HH2  TRP  29           HH2      TRP  29   0.844  -5.540  10.890
  211    H    ARG  30           H        ARG  30  -1.099   2.188  11.201
  212    HA   ARG  30           HA       ARG  30   1.124   1.558  13.032
  213   1HB   ARG  30          2HB       ARG  30   0.084   3.843  13.172
  214   2HB   ARG  30          1HB       ARG  30  -1.420   3.074  13.661
  215   1HG   ARG  30          2HG       ARG  30  -0.299   2.151  15.633
  216   2HG   ARG  30          1HG       ARG  30   1.198   2.947  15.145
  217   1HD   ARG  30          2HD       ARG  30   0.161   4.312  16.800
  218   2HD   ARG  30          1HD       ARG  30  -0.022   5.125  15.246
  219    HE   ARG  30           HE       ARG  30  -2.122   3.957  16.874
  220   1HH1  ARG  30          1HH1      ARG  30  -1.219   5.304  13.778
  221   2HH1  ARG  30          2HH1      ARG  30  -2.849   5.664  13.322
  222   1HH2  ARG  30          1HH2      ARG  30  -4.264   4.431  16.269
  223   2HH2  ARG  30          2HH2      ARG  30  -4.576   5.170  14.734
  224    H    SER  31           H        SER  31   1.004  -0.286  14.191
  225    HA   SER  31           HA       SER  31  -1.109  -2.099  13.862
  226   1HB   SER  31          2HB       SER  31   1.254  -2.695  14.464
  227   2HB   SER  31          1HB       SER  31   0.930  -2.109  16.097
  228    HG   SER  31           HG       SER  31  -0.848  -3.676  16.089
  229    H    THR  32           H        THR  32  -2.582  -2.927  15.435
  230    HA   THR  32           HA       THR  32  -4.132  -1.021  16.709
  231    HB   THR  32           HB       THR  32  -3.906  -3.963  16.641
  232    HG1  THR  32           HG1      THR  32  -5.964  -2.066  16.251
  233   1HG2  THR  32          1HG2      THR  32  -4.215  -3.775  18.974
  234   2HG2  THR  32          2HG2      THR  32  -5.749  -4.248  18.249
  235   3HG2  THR  32          3HG2      THR  32  -5.494  -2.582  18.768
  236    H    ASP  33           H        ASP  33  -1.451  -2.915  17.793
  237    HA   ASP  33           HA       ASP  33  -1.737  -2.488  20.571
  238   1HB   ASP  33          2HB       ASP  33   0.699  -3.168  18.920
  239   2HB   ASP  33          1HB       ASP  33   0.674  -3.161  20.682
  240    H    GLY  34           H        GLY  34  -0.240  -0.671  18.017
  241   1HA   GLY  34          2HA       GLY  34   0.276   1.594  18.001
  242   2HA   GLY  34          1HA       GLY  34  -0.070   1.657  19.724
  243    H    ASP  35           H        ASP  35   2.049  -0.778  18.523
  244    HA   ASP  35           HA       ASP  35   4.336   0.695  19.633
  245   1HB   ASP  35          2HB       ASP  35   3.659  -1.259  20.995
  246   2HB   ASP  35          1HB       ASP  35   3.922  -2.300  19.599
  247    H    LYS  36           H        LYS  36   3.050  -0.854  16.877
  248    HA   LYS  36           HA       LYS  36   5.684  -0.707  15.569
  249   1HB   LYS  36          2HB       LYS  36   3.766  -2.899  15.691
  250   2HB   LYS  36          1HB       LYS  36   4.176  -2.465  14.037
  251   1HG   LYS  36          2HG       LYS  36   5.724  -4.107  14.593
  252   2HG   LYS  36          1HG       LYS  36   6.613  -2.596  14.802
  253   1HD   LYS  36          2HD       LYS  36   6.226  -2.677  17.202
  254   2HD   LYS  36          1HD       LYS  36   5.270  -4.148  17.015
  255   1HE   LYS  36          2HE       LYS  36   8.221  -3.773  16.586
  256   2HE   LYS  36          1HE       LYS  36   7.410  -4.854  17.719
  257   1HZ   LYS  36          1HZ       LYS  36   6.493  -6.012  15.703
  258   2HZ   LYS  36          2HZ       LYS  36   8.159  -6.180  15.943
  259   3HZ   LYS  36          3HZ       LYS  36   7.579  -5.106  14.772
  260    H    VAL  37           H        VAL  37   5.797   0.661  13.927
  261    HA   VAL  37           HA       VAL  37   3.306   1.425  12.553
  262    HB   VAL  37           HB       VAL  37   5.585   3.311  13.166
  263   1HG1  VAL  37          1HG1      VAL  37   3.874   5.023  12.489
  264   2HG1  VAL  37          2HG1      VAL  37   2.875   3.692  11.909
  265   3HG1  VAL  37          3HG1      VAL  37   4.456   3.989  11.185
  266   1HG2  VAL  37          1HG2      VAL  37   3.508   4.305  14.555
  267   2HG2  VAL  37          2HG2      VAL  37   4.718   3.227  15.250
  268   3HG2  VAL  37          3HG2      VAL  37   3.172   2.580  14.698
  269    H    HIS  38           H        HIS  38   3.369   0.959  10.476
  270    HA   HIS  38           HA       HIS  38   5.991   0.759   9.150
  271   1HB   HIS  38          2HB       HIS  38   4.597  -1.313   9.220
  272   2HB   HIS  38          1HB       HIS  38   3.398  -0.477   8.246
  273    HD1  HIS  38           HD1      HIS  38   6.077  -2.755   7.877
  274    HD2  HIS  38           HD2      HIS  38   4.747   0.532   5.712
  275    HE1  HIS  38           HE1      HIS  38   7.059  -3.023   5.577
  276    HE2  HIS  38           HE2      HIS  38   6.177  -1.063   4.263
  277    H    THR  39           H        THR  39   6.370   1.761   7.254
  278    HA   THR  39           HA       THR  39   4.317   3.665   6.328
  279    HB   THR  39           HB       THR  39   7.303   4.085   6.160
  280    HG1  THR  39           HG1      THR  39   5.480   5.130   8.064
  281   1HG2  THR  39          1HG2      THR  39   6.747   6.416   5.817
  282   2HG2  THR  39          2HG2      THR  39   5.027   6.034   5.906
  283   3HG2  THR  39          3HG2      THR  39   6.003   5.409   4.576
  284    H    VAL  40           H        VAL  40   3.857   3.717   4.193
  285    HA   VAL  40           HA       VAL  40   5.459   1.982   2.427
  286    HB   VAL  40           HB       VAL  40   2.507   2.531   2.134
  287   1HG1  VAL  40          1HG1      VAL  40   2.968   0.239   0.810
  288   2HG1  VAL  40          2HG1      VAL  40   4.528   1.034   0.594
  289   3HG1  VAL  40          3HG1      VAL  40   3.049   1.832   0.058
  290   1HG2  VAL  40          1HG2      VAL  40   3.696  -0.045   3.118
  291   2HG2  VAL  40          2HG2      VAL  40   2.012   0.476   3.152
  292   3HG2  VAL  40          3HG2      VAL  40   3.192   1.234   4.222
  293    H    VAL  41           H        VAL  41   5.727   2.627   0.265
  294    HA   VAL  41           HA       VAL  41   5.544   5.520  -0.121
  295    HB   VAL  41           HB       VAL  41   6.915   3.525  -1.926
  296   1HG1  VAL  41          1HG1      VAL  41   6.957   6.512  -1.651
  297   2HG1  VAL  41          2HG1      VAL  41   6.659   5.534  -3.088
  298   3HG1  VAL  41          3HG1      VAL  41   8.287   5.639  -2.415
  299   1HG2  VAL  41          1HG2      VAL  41   8.960   3.910  -0.767
  300   2HG2  VAL  41          2HG2      VAL  41   7.758   3.446   0.437
  301   3HG2  VAL  41          3HG2      VAL  41   8.218   5.138   0.259
  302    H    LEU  42           H        LEU  42   3.990   6.388  -1.323
  303    HA   LEU  42           HA       LEU  42   2.239   4.661  -2.862
  304   1HB   LEU  42          2HB       LEU  42   2.015   7.640  -2.488
  305   2HB   LEU  42          1HB       LEU  42   0.753   6.528  -2.986
  306    HG   LEU  42           HG       LEU  42   1.995   6.775  -0.249
  307   1HD1  LEU  42          1HD1      LEU  42  -0.919   6.856  -0.685
  308   2HD1  LEU  42          2HD1      LEU  42  -0.001   8.228  -1.305
  309   3HD1  LEU  42          3HD1      LEU  42   0.097   7.802   0.403
  310   1HD2  LEU  42          1HD2      LEU  42   1.667   4.540  -0.162
  311   2HD2  LEU  42          2HD2      LEU  42   0.528   4.546  -1.509
  312   3HD2  LEU  42          3HD2      LEU  42  -0.012   5.017   0.102
  313    H    SER  43           H        SER  43   4.981   6.536  -3.480
  314    HA   SER  43           HA       SER  43   4.264   7.352  -6.147
  315   1HB   SER  43          2HB       SER  43   5.815   8.790  -5.108
  316   2HB   SER  43          1HB       SER  43   6.806   7.450  -4.534
  317    HG   SER  43           HG       SER  43   7.571   7.137  -6.574
  318    H    THR  44           H        THR  44   5.806   4.628  -4.633
  319    HA   THR  44           HA       THR  44   6.894   3.611  -7.102
  320    HB   THR  44           HB       THR  44   8.047   3.221  -4.961
  321    HG1  THR  44           HG1      THR  44   8.744   1.446  -5.799
  322   1HG2  THR  44          1HG2      THR  44   5.978   2.930  -3.582
  323   2HG2  THR  44          2HG2      THR  44   7.251   1.743  -3.301
  324   3HG2  THR  44          3HG2      THR  44   5.839   1.312  -4.266
  325    H    ILE  45           H        ILE  45   3.919   3.434  -5.429
  326    HA   ILE  45           HA       ILE  45   3.014   0.892  -6.231
  327    HB   ILE  45           HB       ILE  45   1.308   3.340  -5.779
  328   1HG1  ILE  45          2HG1      ILE  45   2.766   3.036  -3.864
  329   2HG1  ILE  45          1HG1      ILE  45   1.138   2.520  -3.436
  330   1HG2  ILE  45          1HG2      ILE  45  -0.391   1.675  -5.109
  331   2HG2  ILE  45          2HG2      ILE  45   0.711   0.391  -5.602
  332   3HG2  ILE  45          3HG2      ILE  45   0.090   1.528  -6.799
  333   1HD1  ILE  45          1HD1      ILE  45   2.552   0.906  -2.521
  334   2HD1  ILE  45          2HD1      ILE  45   3.554   0.833  -3.971
  335   3HD1  ILE  45          3HD1      ILE  45   1.924   0.164  -3.992
  336    H    ASP  46           H        ASP  46   3.445   0.480  -8.372
  337    HA   ASP  46           HA       ASP  46   2.892   2.221 -10.509
  338   1HB   ASP  46          2HB       ASP  46   4.398   0.225 -10.620
  339   2HB   ASP  46          1HB       ASP  46   2.968  -0.802 -10.595
  340    H    LYS  47           H        LYS  47   0.917  -0.066  -8.756
  341    HA   LYS  47           HA       LYS  47  -1.472   1.032  -9.928
  342   1HB   LYS  47          2HB       LYS  47  -0.724  -1.852 -10.435
  343   2HB   LYS  47          1HB       LYS  47  -2.342  -1.200 -10.665
  344   1HG   LYS  47          2HG       LYS  47  -1.354   0.425 -12.295
  345   2HG   LYS  47          1HG       LYS  47   0.161  -0.469 -12.162
  346   1HD   LYS  47          2HD       LYS  47  -2.475  -1.682 -12.985
  347   2HD   LYS  47          1HD       LYS  47  -1.229  -1.140 -14.111
  348   1HE   LYS  47          2HE       LYS  47  -0.625  -3.324 -13.967
  349   2HE   LYS  47          1HE       LYS  47   0.272  -2.714 -12.578
  350   1HZ   LYS  47          1HZ       LYS  47  -1.284  -4.794 -12.383
  351   2HZ   LYS  47          2HZ       LYS  47  -2.480  -3.620 -12.159
  352   3HZ   LYS  47          3HZ       LYS  47  -1.154  -3.683 -11.112
  353    H    LEU  48           H        LEU  48  -3.455  -0.077  -8.996
  354    HA   LEU  48           HA       LEU  48  -2.882  -1.067  -6.281
  355   1HB   LEU  48          2HB       LEU  48  -4.927   0.123  -5.535
  356   2HB   LEU  48          1HB       LEU  48  -3.643   1.192  -6.068
  357    HG   LEU  48           HG       LEU  48  -5.820   0.421  -7.974
  358   1HD1  LEU  48          1HD1      LEU  48  -7.335   1.918  -7.157
  359   2HD1  LEU  48          2HD1      LEU  48  -6.106   2.895  -6.353
  360   3HD1  LEU  48          3HD1      LEU  48  -6.617   1.363  -5.644
  361   1HD2  LEU  48          1HD2      LEU  48  -4.410   1.663  -9.209
  362   2HD2  LEU  48          2HD2      LEU  48  -3.657   2.402  -7.797
  363   3HD2  LEU  48          3HD2      LEU  48  -5.193   3.021  -8.402
  364    H    GLN  49           H        GLN  49  -3.760  -2.973  -5.822
  365    HA   GLN  49           HA       GLN  49  -6.014  -3.905  -7.478
  366   1HB   GLN  49          2HB       GLN  49  -3.777  -5.519  -6.243
  367   2HB   GLN  49          1HB       GLN  49  -5.161  -6.205  -7.082
  368   1HG   GLN  49          2HG       GLN  49  -4.480  -5.035  -9.129
  369   2HG   GLN  49          1HG       GLN  49  -3.072  -4.401  -8.281
  370   1HE2  GLN  49          1HE2      GLN  49  -2.462  -5.695 -10.447
  371   2HE2  GLN  49          2HE2      GLN  49  -1.868  -7.286 -10.131
  372    H    ALA  50           H        ALA  50  -7.594  -5.231  -6.466
  373    HA   ALA  50           HA       ALA  50  -7.561  -5.310  -3.540
  374   1HB   ALA  50          1HB       ALA  50  -9.532  -3.838  -5.229
  375   2HB   ALA  50          2HB       ALA  50  -8.789  -3.373  -3.698
  376   3HB   ALA  50          3HB       ALA  50 -10.068  -4.587  -3.725
  377    H    THR  51           H        THR  51  -9.349  -6.670  -2.668
  378    HA   THR  51           HA       THR  51  -9.428  -9.157  -4.047
  379    HB   THR  51           HB       THR  51 -11.198  -9.605  -2.132
  380    HG1  THR  51           HG1      THR  51 -11.554  -7.843  -1.059
  381   1HG2  THR  51          1HG2      THR  51  -9.280  -9.765  -0.459
  382   2HG2  THR  51          2HG2      THR  51  -8.251  -9.229  -1.787
  383   3HG2  THR  51          3HG2      THR  51  -9.172 -10.726  -1.934
  384    HA   PRO  52           HA       PRO  52 -13.083  -8.679  -6.474
  385   1HB   PRO  52          2HB       PRO  52 -13.949 -11.251  -6.592
  386   2HB   PRO  52          1HB       PRO  52 -12.539 -10.669  -7.485
  387   1HG   PRO  52          2HG       PRO  52 -12.653 -12.166  -4.895
  388   2HG   PRO  52          1HG       PRO  52 -11.569 -12.403  -6.278
  389   1HD   PRO  52          2HD       PRO  52 -10.808 -11.075  -4.047
  390   2HD   PRO  52          1HD       PRO  52 -10.193 -10.659  -5.660
  391    H    ALA  53           H        ALA  53 -15.348  -8.638  -6.358
  392    HA   ALA  53           HA       ALA  53 -16.438  -8.325  -3.769
  393   1HB   ALA  53          1HB       ALA  53 -17.606  -7.009  -5.180
  394   2HB   ALA  53          2HB       ALA  53 -18.642  -8.433  -5.302
  395   3HB   ALA  53          3HB       ALA  53 -17.425  -8.118  -6.540
  396    H    SER  54           H        SER  54 -16.004 -11.091  -5.723
  397    HA   SER  54           HA       SER  54 -18.179 -12.581  -4.498
  398   1HB   SER  54          2HB       SER  54 -17.447 -12.820  -6.939
  399   2HB   SER  54          1HB       SER  54 -16.050 -13.700  -6.317
  400    HG   SER  54           HG       SER  54 -18.420 -14.671  -6.817
  401    H    SER  55           H        SER  55 -15.190 -11.685  -3.495
  402    HA   SER  55           HA       SER  55 -14.658 -14.217  -2.102
  403   1HB   SER  55          2HB       SER  55 -12.904 -11.916  -2.910
  404   2HB   SER  55          1HB       SER  55 -12.425 -12.977  -1.585
  405    HG   SER  55           HG       SER  55 -11.574 -13.856  -3.416
  406    H    GLU  56           H        GLU  56 -15.494 -14.303  -0.140
  407    HA   GLU  56           HA       GLU  56 -16.470 -12.146   1.325
  408   1HB   GLU  56          2HB       GLU  56 -17.053 -14.544   1.698
  409   2HB   GLU  56          1HB       GLU  56 -15.476 -14.772   2.444
  410   1HG   GLU  56          2HG       GLU  56 -16.951 -12.554   3.601
  411   2HG   GLU  56          1HG       GLU  56 -17.808 -14.089   3.732
  412    H    LYS  57           H        LYS  57 -13.257 -13.223   0.880
  413    HA   LYS  57           HA       LYS  57 -12.251 -11.948   3.290
  414   1HB   LYS  57          2HB       LYS  57 -10.069 -12.742   2.584
  415   2HB   LYS  57          1HB       LYS  57 -11.239 -14.050   2.486
  416   1HG   LYS  57          2HG       LYS  57 -11.441 -13.598   0.046
  417   2HG   LYS  57          1HG       LYS  57 -10.123 -12.437   0.206
  418   1HD   LYS  57          2HD       LYS  57  -8.759 -14.323   1.198
  419   2HD   LYS  57          1HD       LYS  57 -10.044 -15.411   0.667
  420   1HE   LYS  57          2HE       LYS  57  -9.035 -13.537  -1.370
  421   2HE   LYS  57          1HE       LYS  57  -7.887 -14.761  -0.829
  422   1HZ   LYS  57          1HZ       LYS  57  -9.168 -16.455  -1.648
  423   2HZ   LYS  57          2HZ       LYS  57  -9.502 -15.251  -2.786
  424   3HZ   LYS  57          3HZ       LYS  57 -10.614 -15.580  -1.555
  425    H    MET  58           H        MET  58 -11.807  -9.858   3.382
  426    HA   MET  58           HA       MET  58 -11.536  -8.338   0.905
  427   1HB   MET  58          2HB       MET  58 -12.930  -7.792   3.159
  428   2HB   MET  58          1HB       MET  58 -11.434  -6.937   3.507
  429   1HG   MET  58          2HG       MET  58 -12.759  -5.334   2.493
  430   2HG   MET  58          1HG       MET  58 -11.713  -5.893   1.188
  431   1HE   MET  58          1HE       MET  58 -14.981  -6.415   3.014
  432   2HE   MET  58          2HE       MET  58 -14.977  -8.074   2.414
  433   3HE   MET  58          3HE       MET  58 -16.141  -6.910   1.781
  434    H    MET  59           H        MET  59  -9.601  -7.864   0.122
  435    HA   MET  59           HA       MET  59  -7.427  -7.141   1.905
  436   1HB   MET  59          2HB       MET  59  -7.124  -9.398  -0.086
  437   2HB   MET  59          1HB       MET  59  -5.847  -8.730   0.921
  438   1HG   MET  59          2HG       MET  59  -7.148  -9.448   2.920
  439   2HG   MET  59          1HG       MET  59  -8.273 -10.256   1.831
  440   1HE   MET  59          1HE       MET  59  -4.144 -10.180   1.727
  441   2HE   MET  59          2HE       MET  59  -4.012 -11.479   2.912
  442   3HE   MET  59          3HE       MET  59  -4.853  -9.986   3.330
  443    H    LEU  60           H        LEU  60  -5.992  -5.724   0.990
  444    HA   LEU  60           HA       LEU  60  -6.492  -5.014  -1.828
  445   1HB   LEU  60          2HB       LEU  60  -7.152  -3.311  -0.112
  446   2HB   LEU  60          1HB       LEU  60  -5.465  -3.203   0.357
  447    HG   LEU  60           HG       LEU  60  -5.165  -2.688  -2.239
  448   1HD1  LEU  60          1HD1      LEU  60  -7.522  -1.049  -2.109
  449   2HD1  LEU  60          2HD1      LEU  60  -7.952  -2.756  -1.998
  450   3HD1  LEU  60          3HD1      LEU  60  -7.003  -2.174  -3.366
  451   1HD2  LEU  60          1HD2      LEU  60  -5.262  -0.293  -1.665
  452   2HD2  LEU  60          2HD2      LEU  60  -4.416  -1.247  -0.446
  453   3HD2  LEU  60          3HD2      LEU  60  -6.069  -0.708  -0.153
  454    H    ARG  61           H        ARG  61  -4.859  -5.337  -3.182
  455    HA   ARG  61           HA       ARG  61  -2.157  -5.670  -2.068
  456   1HB   ARG  61          2HB       ARG  61  -3.041  -7.646  -3.212
  457   2HB   ARG  61          1HB       ARG  61  -3.316  -6.694  -4.664
  458   1HG   ARG  61          2HG       ARG  61  -0.831  -6.244  -4.684
  459   2HG   ARG  61          1HG       ARG  61  -0.692  -7.480  -3.433
  460   1HD   ARG  61          2HD       ARG  61  -2.193  -8.123  -5.923
  461   2HD   ARG  61          1HD       ARG  61  -0.431  -8.075  -5.989
  462    HE   ARG  61           HE       ARG  61  -2.069 -10.057  -4.698
  463   1HH1  ARG  61          1HH1      ARG  61   1.085  -8.567  -4.800
  464   2HH1  ARG  61          2HH1      ARG  61   1.890  -9.931  -4.100
  465   1HH2  ARG  61          1HH2      ARG  61  -1.013 -11.853  -3.779
  466   2HH2  ARG  61          2HH2      ARG  61   0.700 -11.797  -3.521
  467    H    LEU  62           H        LEU  62  -0.541  -4.368  -2.676
  468    HA   LEU  62           HA       LEU  62  -1.099  -2.407  -4.804
  469   1HB   LEU  62          2HB       LEU  62  -0.183  -2.086  -2.081
  470   2HB   LEU  62          1HB       LEU  62   0.976  -1.410  -3.209
  471    HG   LEU  62           HG       LEU  62  -0.851  -0.056  -4.216
  472   1HD1  LEU  62          1HD1      LEU  62  -2.484  -0.939  -1.847
  473   2HD1  LEU  62          2HD1      LEU  62  -2.680  -1.598  -3.472
  474   3HD1  LEU  62          3HD1      LEU  62  -2.981   0.115  -3.172
  475   1HD2  LEU  62          1HD2      LEU  62  -0.960   0.651  -1.353
  476   2HD2  LEU  62          2HD2      LEU  62  -0.501   1.626  -2.749
  477   3HD2  LEU  62          3HD2      LEU  62   0.649   0.484  -2.055
  478    H    ILE  63           H        ILE  63   0.223  -2.359  -6.492
  479    HA   ILE  63           HA       ILE  63   2.550  -4.128  -6.483
  480    HB   ILE  63           HB       ILE  63   1.463  -2.631  -8.860
  481   1HG1  ILE  63          2HG1      ILE  63  -0.398  -3.893  -7.985
  482   2HG1  ILE  63          1HG1      ILE  63   0.226  -4.739  -9.398
  483   1HG2  ILE  63          1HG2      ILE  63   3.764  -3.997  -8.615
  484   2HG2  ILE  63          2HG2      ILE  63   2.857  -3.875 -10.122
  485   3HG2  ILE  63          3HG2      ILE  63   2.683  -5.302  -9.102
  486   1HD1  ILE  63          1HD1      ILE  63   0.430  -6.573  -8.191
  487   2HD1  ILE  63          2HD1      ILE  63  -0.157  -5.713  -6.768
  488   3HD1  ILE  63          3HD1      ILE  63   1.569  -5.752  -7.125
  489    H    GLY  64           H        GLY  64   4.502  -3.327  -6.097
  490   1HA   GLY  64          2HA       GLY  64   4.951  -0.448  -6.441
  491   2HA   GLY  64          1HA       GLY  64   5.947  -1.541  -5.489
  492    H    LYS  65           H        LYS  65   4.956  -0.927  -8.850
  493    HA   LYS  65           HA       LYS  65   6.054  -1.172 -10.828
  494   1HB   LYS  65          2HB       LYS  65   7.970   0.029  -8.934
  495   2HB   LYS  65          1HB       LYS  65   8.675  -0.636 -10.401
  496   1HG   LYS  65          2HG       LYS  65   7.189   0.755 -11.749
  497   2HG   LYS  65          1HG       LYS  65   6.475   1.417 -10.277
  498   1HD   LYS  65          2HD       LYS  65   8.745   2.232  -9.632
  499   2HD   LYS  65          1HD       LYS  65   9.327   1.708 -11.213
  500   1HE   LYS  65          2HE       LYS  65   8.798   3.775 -11.888
  501   2HE   LYS  65          1HE       LYS  65   7.131   3.198 -11.872
  502   1HZ   LYS  65          1HZ       LYS  65   6.805   4.105  -9.720
  503   2HZ   LYS  65          2HZ       LYS  65   7.520   5.319 -10.654
  504   3HZ   LYS  65          3HZ       LYS  65   8.449   4.459  -9.532
  505    H    VAL  66           H        VAL  66   8.253  -2.157 -11.800
  506    HA   VAL  66           HA       VAL  66   8.625  -4.801 -10.549
  507    HB   VAL  66           HB       VAL  66   8.566  -4.295 -13.524
  508   1HG1  VAL  66          1HG1      VAL  66   8.924  -6.706 -11.800
  509   2HG1  VAL  66          2HG1      VAL  66   9.815  -6.212 -13.240
  510   3HG1  VAL  66          3HG1      VAL  66   8.185  -6.870 -13.394
  511   1HG2  VAL  66          1HG2      VAL  66   6.369  -5.226 -13.589
  512   2HG2  VAL  66          2HG2      VAL  66   6.357  -3.920 -12.403
  513   3HG2  VAL  66          3HG2      VAL  66   6.415  -5.599 -11.866
  514    H    ASP  67           H        ASP  67  10.034  -2.971 -13.271
  515    HA   ASP  67           HA       ASP  67  12.666  -3.943 -12.668
  516   1HB   ASP  67          2HB       ASP  67  11.683  -1.881 -14.649
  517   2HB   ASP  67          1HB       ASP  67  13.356  -2.417 -14.535
  518    H    GLU  68           H        GLU  68  14.041  -3.104 -11.257
  519    HA   GLU  68           HA       GLU  68  13.646  -0.319 -10.395
  520   1HB   GLU  68          2HB       GLU  68  14.610  -0.922  -8.270
  521   2HB   GLU  68          1HB       GLU  68  13.323  -2.059  -8.648
  522   1HG   GLU  68          2HG       GLU  68  15.036  -3.662  -9.440
  523   2HG   GLU  68          1HG       GLU  68  16.281  -2.535  -8.907
  524    H    SER  69           H        SER  69  15.087  -0.957 -12.736
  525    HA   SER  69           HA       SER  69  17.857  -1.144 -12.379
  526   1HB   SER  69          2HB       SER  69  16.376   0.251 -14.619
  527   2HB   SER  69          1HB       SER  69  18.045  -0.315 -14.670
  528    HG   SER  69           HG       SER  69  15.726  -1.925 -14.369
  529    H    LYS  70           H        LYS  70  15.688   1.507 -11.990
  530    HA   LYS  70           HA       LYS  70  17.423   3.672 -12.322
  531   1HB   LYS  70          2HB       LYS  70  15.046   3.359 -10.482
  532   2HB   LYS  70          1HB       LYS  70  15.852   4.888 -10.804
  533   1HG   LYS  70          2HG       LYS  70  15.286   4.672 -13.182
  534   2HG   LYS  70          1HG       LYS  70  14.444   3.161 -12.830
  535   1HD   LYS  70          2HD       LYS  70  12.778   4.839 -12.915
  536   2HD   LYS  70          1HD       LYS  70  13.025   4.481 -11.204
  537   1HE   LYS  70          2HE       LYS  70  12.904   6.846 -11.415
  538   2HE   LYS  70          1HE       LYS  70  14.593   6.435 -11.119
  539   1HZ   LYS  70          1HZ       LYS  70  13.930   8.097 -13.001
  540   2HZ   LYS  70          2HZ       LYS  70  13.675   6.682 -13.893
  541   3HZ   LYS  70          3HZ       LYS  70  15.199   7.001 -13.230
  542    H    LYS  71           H        LYS  71  16.976   1.469  -9.641
  543    HA   LYS  71           HA       LYS  71  18.560   3.027  -7.809
  544   1HB   LYS  71          2HB       LYS  71  17.340   0.280  -7.710
  545   2HB   LYS  71          1HB       LYS  71  18.439   0.835  -6.457
  546   1HG   LYS  71          2HG       LYS  71  16.318   1.284  -5.612
  547   2HG   LYS  71          1HG       LYS  71  16.881   2.842  -6.222
  548   1HD   LYS  71          2HD       LYS  71  15.600   2.502  -8.278
  549   2HD   LYS  71          1HD       LYS  71  15.046   0.937  -7.678
  550   1HE   LYS  71          2HE       LYS  71  14.194   2.322  -5.647
  551   2HE   LYS  71          1HE       LYS  71  14.325   3.689  -6.753
  552   1HZ   LYS  71          1HZ       LYS  71  12.163   2.972  -7.046
  553   2HZ   LYS  71          2HZ       LYS  71  12.562   1.333  -6.928
  554   3HZ   LYS  71          3HZ       LYS  71  12.962   2.202  -8.323
  555    H    ARG  72           H        ARG  72  20.615   2.488  -7.005
  556    HA   ARG  72           HA       ARG  72  22.236   0.917  -8.887
  557   1HB   ARG  72          2HB       ARG  72  23.022   3.108  -6.961
  558   2HB   ARG  72          1HB       ARG  72  24.163   2.189  -7.932
  559   1HG   ARG  72          2HG       ARG  72  23.060   3.016  -9.971
  560   2HG   ARG  72          1HG       ARG  72  21.978   3.984  -8.967
  561   1HD   ARG  72          2HD       ARG  72  23.769   5.376  -9.776
  562   2HD   ARG  72          1HD       ARG  72  23.948   5.152  -8.037
  563    HE   ARG  72           HE       ARG  72  25.697   4.153 -10.124
  564   1HH1  ARG  72          1HH1      ARG  72  24.801   4.035  -6.749
  565   2HH1  ARG  72          2HH1      ARG  72  26.317   3.369  -6.244
  566   1HH2  ARG  72          1HH2      ARG  72  27.689   3.277  -9.456
  567   2HH2  ARG  72          2HH2      ARG  72  27.955   2.940  -7.779
  568    H    LYS  73           H        LYS  73  23.022  -0.970  -8.246
  569    HA   LYS  73           HA       LYS  73  22.537  -2.040  -5.687
  570   1HB   LYS  73          2HB       LYS  73  23.979  -3.912  -6.425
  571   2HB   LYS  73          1HB       LYS  73  22.756  -3.485  -7.615
  572   1HG   LYS  73          2HG       LYS  73  24.545  -3.686  -8.991
  573   2HG   LYS  73          1HG       LYS  73  24.724  -1.985  -8.556
  574   1HD   LYS  73          2HD       LYS  73  26.380  -2.521  -6.903
  575   2HD   LYS  73          1HD       LYS  73  26.100  -4.250  -7.118
  576   1HE   LYS  73          2HE       LYS  73  26.700  -3.554  -9.647
  577   2HE   LYS  73          1HE       LYS  73  27.645  -2.351  -8.769
  578   1HZ   LYS  73          1HZ       LYS  73  28.274  -4.549  -7.416
  579   2HZ   LYS  73          2HZ       LYS  73  29.155  -4.000  -8.752
  580   3HZ   LYS  73          3HZ       LYS  73  28.007  -5.228  -8.943
  581    H    ASP  74           H        ASP  74  24.091  -2.749  -4.100
  582    HA   ASP  74           HA       ASP  74  26.531  -1.098  -4.027
  583   1HB   ASP  74          2HB       ASP  74  24.651  -1.718  -1.740
  584   2HB   ASP  74          1HB       ASP  74  26.219  -0.940  -1.557
  585    H    ASN  75           H        ASN  75  28.130  -1.956  -2.370
  586    HA   ASN  75           HA       ASN  75  28.499  -4.784  -2.890
  587   1HB   ASN  75          2HB       ASN  75  30.281  -2.804  -1.457
  588   2HB   ASN  75          1HB       ASN  75  30.729  -4.447  -1.907
  589   1HD2  ASN  75          1HD2      ASN  75  29.789  -4.699  -4.413
  590   2HD2  ASN  75          2HD2      ASN  75  30.558  -3.569  -5.469
  591    H    GLU  76           H        GLU  76  26.843  -3.137  -0.586
  592    HA   GLU  76           HA       GLU  76  27.646  -4.855   1.637
  593   1HB   GLU  76          2HB       GLU  76  25.743  -2.509   1.531
  594   2HB   GLU  76          1HB       GLU  76  26.124  -3.423   2.984
  595   1HG   GLU  76          2HG       GLU  76  28.481  -2.765   2.754
  596   2HG   GLU  76          1HG       GLU  76  28.053  -1.799   1.343
  597    H    GLY  77           H        GLY  77  26.378  -6.112  -0.545
  598   1HA   GLY  77          2HA       GLY  77  24.687  -7.593  -1.009
  599   2HA   GLY  77          1HA       GLY  77  24.488  -7.701   0.733
  600    H    ASN  78           H        ASN  78  24.053  -4.675  -0.939
  601    HA   ASN  78           HA       ASN  78  21.515  -4.209   0.133
  602   1HB   ASN  78          2HB       ASN  78  23.125  -2.967  -2.057
  603   2HB   ASN  78          1HB       ASN  78  21.430  -2.518  -1.899
  604   1HD2  ASN  78          1HD2      ASN  78  24.030  -3.190   0.423
  605   2HD2  ASN  78          2HD2      ASN  78  23.867  -1.704   1.291
  606    H    GLU  79           H        GLU  79  22.500  -5.635  -2.929
  607    HA   GLU  79           HA       GLU  79  19.690  -6.373  -3.403
  608   1HB   GLU  79          2HB       GLU  79  21.727  -5.580  -5.492
  609   2HB   GLU  79          1HB       GLU  79  20.108  -6.177  -5.829
  610   1HG   GLU  79          2HG       GLU  79  19.183  -4.229  -4.621
  611   2HG   GLU  79          1HG       GLU  79  20.824  -3.617  -4.422
  612    H    VAL  80           H        VAL  80  19.357  -8.367  -4.522
  613    HA   VAL  80           HA       VAL  80  21.636 -10.121  -4.918
  614    HB   VAL  80           HB       VAL  80  19.447 -10.956  -3.015
  615   1HG1  VAL  80          1HG1      VAL  80  22.114 -12.253  -3.534
  616   2HG1  VAL  80          2HG1      VAL  80  20.634 -12.708  -4.378
  617   3HG1  VAL  80          3HG1      VAL  80  20.748 -12.905  -2.629
  618   1HG2  VAL  80          1HG2      VAL  80  20.750  -9.217  -1.955
  619   2HG2  VAL  80          2HG2      VAL  80  22.252 -10.024  -2.409
  620   3HG2  VAL  80          3HG2      VAL  80  21.162 -10.778  -1.245
  621    H    VAL  81           H        VAL  81  18.084 -10.199  -4.584
  622    HA   VAL  81           HA       VAL  81  17.960 -11.481  -7.231
  623    HB   VAL  81           HB       VAL  81  17.514 -13.178  -5.534
  624   1HG1  VAL  81          1HG1      VAL  81  16.546 -11.297  -3.956
  625   2HG1  VAL  81          2HG1      VAL  81  16.038 -12.980  -3.803
  626   3HG1  VAL  81          3HG1      VAL  81  15.016 -11.823  -4.660
  627   1HG2  VAL  81          1HG2      VAL  81  15.121 -12.283  -7.130
  628   2HG2  VAL  81          2HG2      VAL  81  15.200 -13.824  -6.276
  629   3HG2  VAL  81          3HG2      VAL  81  16.338 -13.478  -7.578
  630    HA   PRO  82           HA       PRO  82  15.601  -7.441  -7.239
  631   1HB   PRO  82          2HB       PRO  82  16.201  -7.939 -10.119
  632   2HB   PRO  82          1HB       PRO  82  16.288  -6.435  -9.195
  633   1HG   PRO  82          2HG       PRO  82  18.506  -7.756  -9.843
  634   2HG   PRO  82          1HG       PRO  82  18.342  -6.973  -8.260
  635   1HD   PRO  82          2HD       PRO  82  18.167  -9.865  -8.976
  636   2HD   PRO  82          1HD       PRO  82  18.818  -9.098  -7.512
  637    H    LYS  83           H        LYS  83  13.454  -7.521  -7.247
  638    HA   LYS  83           HA       LYS  83  12.007  -8.867  -9.348
  639   1HB   LYS  83          2HB       LYS  83  12.286 -10.031  -6.652
  640   2HB   LYS  83          1HB       LYS  83  10.637  -9.949  -7.257
  641   1HG   LYS  83          2HG       LYS  83  10.993 -11.516  -8.842
  642   2HG   LYS  83          1HG       LYS  83  12.660 -11.011  -9.124
  643   1HD   LYS  83          2HD       LYS  83  12.841 -13.134  -8.141
  644   2HD   LYS  83          1HD       LYS  83  13.166 -12.003  -6.825
  645   1HE   LYS  83          2HE       LYS  83  10.344 -12.766  -7.185
  646   2HE   LYS  83          1HE       LYS  83  11.421 -14.061  -6.663
  647   1HZ   LYS  83          1HZ       LYS  83  12.181 -12.123  -5.023
  648   2HZ   LYS  83          2HZ       LYS  83  10.940 -13.210  -4.648
  649   3HZ   LYS  83          3HZ       LYS  83  10.565 -11.672  -5.243
  650    HA   PRO  84           HA       PRO  84   8.963  -5.786  -8.563
  651   1HB   PRO  84          2HB       PRO  84   6.596  -7.130  -8.724
  652   2HB   PRO  84          1HB       PRO  84   7.583  -6.724 -10.134
  653   1HG   PRO  84          2HG       PRO  84   7.396  -9.307  -8.630
  654   2HG   PRO  84          1HG       PRO  84   7.455  -9.034 -10.382
  655   1HD   PRO  84          2HD       PRO  84   9.624  -9.807  -8.975
  656   2HD   PRO  84          1HD       PRO  84   9.746  -8.733 -10.384
  657    H    GLN  85           H        GLN  85   8.489  -4.811  -6.706
  658    HA   GLN  85           HA       GLN  85   8.007  -6.395  -4.318
  659   1HB   GLN  85          2HB       GLN  85   8.550  -3.484  -4.827
  660   2HB   GLN  85          1HB       GLN  85   7.982  -4.038  -3.258
  661   1HG   GLN  85          2HG       GLN  85  10.430  -5.140  -4.603
  662   2HG   GLN  85          1HG       GLN  85  10.465  -3.767  -3.497
  663   1HE2  GLN  85          1HE2      GLN  85  11.342  -6.755  -3.531
  664   2HE2  GLN  85          2HE2      GLN  85  10.889  -7.296  -1.953
  665    H    ARG  86           H        ARG  86   6.070  -6.772  -3.479
  666    HA   ARG  86           HA       ARG  86   3.842  -4.989  -4.182
  667   1HB   ARG  86          2HB       ARG  86   3.768  -8.011  -4.206
  668   2HB   ARG  86          1HB       ARG  86   2.366  -6.969  -4.394
  669   1HG   ARG  86          2HG       ARG  86   3.420  -6.008  -6.426
  670   2HG   ARG  86          1HG       ARG  86   4.715  -7.195  -6.259
  671   1HD   ARG  86          2HD       ARG  86   2.974  -8.987  -6.349
  672   2HD   ARG  86          1HD       ARG  86   1.787  -7.738  -6.727
  673    HE   ARG  86           HE       ARG  86   3.724  -7.379  -8.598
  674   1HH1  ARG  86          1HH1      ARG  86   1.818 -10.120  -7.584
  675   2HH1  ARG  86          2HH1      ARG  86   1.832 -10.867  -9.147
  676   1HH2  ARG  86          1HH2      ARG  86   3.744  -8.358 -10.653
  677   2HH2  ARG  86          2HH2      ARG  86   2.927  -9.867 -10.889
  678    H    HIS  87           H        HIS  87   2.350  -4.627  -2.585
  679    HA   HIS  87           HA       HIS  87   2.914  -5.881   0.023
  680   1HB   HIS  87          2HB       HIS  87   2.263  -3.054  -0.719
  681   2HB   HIS  87          1HB       HIS  87   1.779  -3.660   0.860
  682    HD1  HIS  87           HD1      HIS  87   3.479  -3.411   2.640
  683    HD2  HIS  87           HD2      HIS  87   5.190  -3.432  -1.145
  684    HE1  HIS  87           HE1      HIS  87   5.927  -2.973   3.009
  685    HE2  HIS  87           HE2      HIS  87   6.928  -2.904   0.697
  686    H    MET  88           H        MET  88   1.379  -7.326   0.441
  687    HA   MET  88           HA       MET  88  -1.351  -6.858  -0.490
  688   1HB   MET  88          2HB       MET  88  -0.313  -9.058  -0.914
  689   2HB   MET  88          1HB       MET  88  -0.136  -9.299   0.818
  690   1HG   MET  88          2HG       MET  88  -2.657  -9.037   0.957
  691   2HG   MET  88          1HG       MET  88  -2.658  -9.195  -0.798
  692   1HE   MET  88          1HE       MET  88  -1.830 -11.107  -2.090
  693   2HE   MET  88          2HE       MET  88  -1.606 -12.755  -1.501
  694   3HE   MET  88          3HE       MET  88  -0.325 -11.561  -1.289
  695    H    PHE  89           H        PHE  89  -2.844  -6.034   0.810
  696    HA   PHE  89           HA       PHE  89  -2.391  -6.160   3.717
  697   1HB   PHE  89          2HB       PHE  89  -3.805  -4.108   2.017
  698   2HB   PHE  89          1HB       PHE  89  -3.951  -4.157   3.772
  699    HD1  PHE  89           HD1      PHE  89  -1.978  -3.081   0.987
  700    HD2  PHE  89           HD2      PHE  89  -1.861  -3.917   5.157
  701    HE1  PHE  89           HE1      PHE  89   0.082  -1.754   1.188
  702    HE2  PHE  89           HE2      PHE  89   0.201  -2.587   5.368
  703    HZ   PHE  89           HZ       PHE  89   1.176  -1.504   3.381
  704    H    SER  90           H        SER  90  -4.226  -6.413   5.096
  705    HA   SER  90           HA       SER  90  -6.479  -7.802   3.795
  706   1HB   SER  90          2HB       SER  90  -4.674  -8.813   5.701
  707   2HB   SER  90          1HB       SER  90  -6.175  -8.520   6.579
  708    HG   SER  90           HG       SER  90  -5.748 -10.613   5.278
  709    H    PHE  91           H        PHE  91  -8.348  -6.760   3.984
  710    HA   PHE  91           HA       PHE  91  -8.632  -4.761   6.101
  711   1HB   PHE  91          2HB       PHE  91  -9.863  -5.123   3.399
  712   2HB   PHE  91          1HB       PHE  91 -10.707  -4.171   4.618
  713    HD1  PHE  91           HD1      PHE  91  -9.948  -2.025   5.253
  714    HD2  PHE  91           HD2      PHE  91  -7.663  -4.417   2.581
  715    HE1  PHE  91           HE1      PHE  91  -8.549  -0.069   4.703
  716    HE2  PHE  91           HE2      PHE  91  -6.262  -2.478   2.022
  717    HZ   PHE  91           HZ       PHE  91  -6.702  -0.295   3.085
  718    H    ASN  92           H        ASN  92 -10.185  -4.823   7.600
  719    HA   ASN  92           HA       ASN  92 -11.798  -7.260   7.746
  720   1HB   ASN  92          2HB       ASN  92 -11.153  -5.175   9.844
  721   2HB   ASN  92          1HB       ASN  92 -12.168  -6.589  10.116
  722   1HD2  ASN  92          1HD2      ASN  92  -9.918  -6.096  11.622
  723   2HD2  ASN  92          2HD2      ASN  92  -8.724  -7.295  11.276
  724    H    ASN  93           H        ASN  93 -12.192  -4.450   6.301
  725    HA   ASN  93           HA       ASN  93 -15.048  -4.484   6.651
  726   1HB   ASN  93          2HB       ASN  93 -14.126  -2.936   8.441
  727   2HB   ASN  93          1HB       ASN  93 -13.617  -1.877   7.130
  728   1HD2  ASN  93          1HD2      ASN  93 -15.182  -0.655   8.735
  729   2HD2  ASN  93          2HD2      ASN  93 -16.812  -0.549   8.171
  730    H    ARG  94           H        ARG  94 -15.953  -4.284   4.730
  731    HA   ARG  94           HA       ARG  94 -14.501  -3.764   2.389
  732   1HB   ARG  94          2HB       ARG  94 -16.618  -5.061   2.487
  733   2HB   ARG  94          1HB       ARG  94 -17.492  -3.565   2.784
  734   1HG   ARG  94          2HG       ARG  94 -16.819  -2.711   0.614
  735   2HG   ARG  94          1HG       ARG  94 -15.879  -4.175   0.316
  736   1HD   ARG  94          2HD       ARG  94 -17.951  -4.408  -0.836
  737   2HD   ARG  94          1HD       ARG  94 -17.998  -5.483   0.561
  738    HE   ARG  94           HE       ARG  94 -19.165  -3.220   1.478
  739   1HH1  ARG  94          1HH1      ARG  94 -19.723  -5.239  -1.314
  740   2HH1  ARG  94          2HH1      ARG  94 -21.416  -4.888  -1.384
  741   1HH2  ARG  94          1HH2      ARG  94 -21.392  -2.757   1.386
  742   2HH2  ARG  94          2HH2      ARG  94 -22.365  -3.479   0.148
  743    H    THR  95           H        THR  95 -16.580  -1.682   4.365
  744    HA   THR  95           HA       THR  95 -16.592   0.525   2.660
  745    HB   THR  95           HB       THR  95 -16.686   0.966   5.573
  746    HG1  THR  95           HG1      THR  95 -18.431  -0.262   5.922
  747   1HG2  THR  95          1HG2      THR  95 -17.468   2.637   3.930
  748   2HG2  THR  95          2HG2      THR  95 -18.703   2.143   5.087
  749   3HG2  THR  95          3HG2      THR  95 -18.723   1.499   3.446
  750    H    VAL  96           H        VAL  96 -14.482  -0.416   5.295
  751    HA   VAL  96           HA       VAL  96 -12.902   1.938   5.240
  752    HB   VAL  96           HB       VAL  96 -12.178  -0.778   6.343
  753   1HG1  VAL  96          1HG1      VAL  96 -10.147   0.228   6.393
  754   2HG1  VAL  96          2HG1      VAL  96 -10.807   0.940   7.867
  755   3HG1  VAL  96          3HG1      VAL  96 -10.829   1.855   6.359
  756   1HG2  VAL  96          1HG2      VAL  96 -13.269  -0.291   8.268
  757   2HG2  VAL  96          2HG2      VAL  96 -14.259   0.686   7.184
  758   3HG2  VAL  96          3HG2      VAL  96 -12.974   1.441   8.127
  759    H    MET  97           H        MET  97 -12.774  -1.147   3.643
  760    HA   MET  97           HA       MET  97 -10.143  -0.774   2.573
  761   1HB   MET  97          2HB       MET  97 -10.339  -2.878   1.710
  762   2HB   MET  97          1HB       MET  97 -11.580  -2.973   2.946
  763   1HG   MET  97          2HG       MET  97 -12.832  -3.767   1.272
  764   2HG   MET  97          1HG       MET  97 -13.040  -2.065   0.870
  765   1HE   MET  97          1HE       MET  97 -13.489  -4.561  -0.841
  766   2HE   MET  97          2HE       MET  97 -11.997  -5.498  -0.759
  767   3HE   MET  97          3HE       MET  97 -12.447  -4.687  -2.259
  768    H    ASP  98           H        ASP  98 -13.395  -0.028   1.545
  769    HA   ASP  98           HA       ASP  98 -12.654   0.578  -1.149
  770   1HB   ASP  98          2HB       ASP  98 -15.166   1.170   0.418
  771   2HB   ASP  98          1HB       ASP  98 -14.966   1.519  -1.296
  772    H    ASN  99           H        ASN  99 -12.843   2.281   1.847
  773    HA   ASN  99           HA       ASN  99 -12.874   4.906   0.767
  774   1HB   ASN  99          2HB       ASN  99 -12.071   3.887   3.494
  775   2HB   ASN  99          1HB       ASN  99 -12.198   5.593   3.078
  776   1HD2  ASN  99          1HD2      ASN  99 -13.654   4.400   5.123
  777   2HD2  ASN  99          2HD2      ASN  99 -15.330   4.432   4.700
  778    H    ILE 100           H        ILE 100 -10.405   2.624   1.599
  779    HA   ILE 100           HA       ILE 100  -8.248   4.531   1.261
  780    HB   ILE 100           HB       ILE 100  -8.116   1.538   1.647
  781   1HG1  ILE 100          2HG1      ILE 100  -9.202   2.760   3.526
  782   2HG1  ILE 100          1HG1      ILE 100  -7.684   1.997   3.984
  783   1HG2  ILE 100          1HG2      ILE 100  -5.992   3.666   1.852
  784   2HG2  ILE 100          2HG2      ILE 100  -6.098   2.388   0.641
  785   3HG2  ILE 100          3HG2      ILE 100  -5.785   1.980   2.328
  786   1HD1  ILE 100          1HD1      ILE 100  -7.946   4.239   4.935
  787   2HD1  ILE 100          2HD1      ILE 100  -8.019   4.908   3.305
  788   3HD1  ILE 100          3HD1      ILE 100  -6.545   4.122   3.871
  789    H    LYS 101           H        LYS 101  -9.501   1.663  -0.413
  790    HA   LYS 101           HA       LYS 101  -7.634   1.520  -2.466
  791   1HB   LYS 101          2HB       LYS 101  -9.369  -0.193  -1.961
  792   2HB   LYS 101          1HB       LYS 101 -10.578   0.869  -2.668
  793   1HG   LYS 101          2HG       LYS 101  -9.486   0.728  -4.824
  794   2HG   LYS 101          1HG       LYS 101  -8.203  -0.264  -4.130
  795   1HD   LYS 101          2HD       LYS 101  -9.652  -1.797  -5.161
  796   2HD   LYS 101          1HD       LYS 101 -10.058  -1.879  -3.446
  797   1HE   LYS 101          2HE       LYS 101 -12.093  -1.825  -4.718
  798   2HE   LYS 101          1HE       LYS 101 -11.920  -0.294  -3.861
  799   1HZ   LYS 101          1HZ       LYS 101 -11.209   0.767  -5.860
  800   2HZ   LYS 101          2HZ       LYS 101 -12.642  -0.065  -6.203
  801   3HZ   LYS 101          3HZ       LYS 101 -11.155  -0.701  -6.701
  802    H    MET 102           H        MET 102 -10.703   3.312  -2.363
  803    HA   MET 102           HA       MET 102 -10.446   4.375  -4.976
  804   1HB   MET 102          2HB       MET 102 -12.093   5.308  -2.624
  805   2HB   MET 102          1HB       MET 102 -12.236   5.959  -4.250
  806   1HG   MET 102          2HG       MET 102 -12.839   3.703  -5.056
  807   2HG   MET 102          1HG       MET 102 -12.797   3.130  -3.389
  808   1HE   MET 102          1HE       MET 102 -16.061   2.964  -4.996
  809   2HE   MET 102          2HE       MET 102 -16.280   2.818  -3.252
  810   3HE   MET 102          3HE       MET 102 -14.843   2.141  -4.020
  811    H    THR 103           H        THR 103  -9.316   5.390  -1.859
  812    HA   THR 103           HA       THR 103  -8.622   8.032  -2.697
  813    HB   THR 103           HB       THR 103  -8.566   6.481  -0.223
  814    HG1  THR 103           HG1      THR 103  -9.721   8.159   0.186
  815   1HG2  THR 103          1HG2      THR 103  -6.370   8.501  -0.606
  816   2HG2  THR 103          2HG2      THR 103  -6.149   6.764  -0.396
  817   3HG2  THR 103          3HG2      THR 103  -6.832   7.732   0.912
  818    H    LEU 104           H        LEU 104  -7.056   4.921  -2.499
  819    HA   LEU 104           HA       LEU 104  -4.404   5.870  -2.915
  820   1HB   LEU 104          2HB       LEU 104  -5.698   3.167  -3.234
  821   2HB   LEU 104          1HB       LEU 104  -4.004   3.441  -3.595
  822    HG   LEU 104           HG       LEU 104  -5.235   3.995  -0.898
  823   1HD1  LEU 104          1HD1      LEU 104  -3.838   1.539  -1.933
  824   2HD1  LEU 104          2HD1      LEU 104  -5.465   1.654  -1.259
  825   3HD1  LEU 104          3HD1      LEU 104  -4.059   1.893  -0.219
  826   1HD2  LEU 104          1HD2      LEU 104  -2.384   3.789  -1.859
  827   2HD2  LEU 104          2HD2      LEU 104  -2.872   3.935  -0.170
  828   3HD2  LEU 104          3HD2      LEU 104  -3.211   5.243  -1.302
  829    H    GLN 105           H        GLN 105  -7.052   4.910  -5.010
  830    HA   GLN 105           HA       GLN 105  -5.530   4.755  -7.395
  831   1HB   GLN 105          2HB       GLN 105  -7.527   4.392  -8.488
  832   2HB   GLN 105          1HB       GLN 105  -7.949   3.908  -6.854
  833   1HG   GLN 105          2HG       GLN 105  -9.739   5.208  -7.261
  834   2HG   GLN 105          1HG       GLN 105  -8.646   6.480  -6.720
  835   1HE2  GLN 105          1HE2      GLN 105  -9.064   4.690  -9.756
  836   2HE2  GLN 105          2HE2      GLN 105  -9.196   6.088 -10.762
  837    H    GLN 106           H        GLN 106  -7.147   7.336  -5.720
  838    HA   GLN 106           HA       GLN 106  -7.040   9.272  -7.764
  839   1HB   GLN 106          2HB       GLN 106  -7.092   9.561  -4.757
  840   2HB   GLN 106          1HB       GLN 106  -7.213  10.922  -5.864
  841   1HG   GLN 106          2HG       GLN 106  -9.123   8.598  -5.812
  842   2HG   GLN 106          1HG       GLN 106  -9.389  10.133  -4.989
  843   1HE2  GLN 106          1HE2      GLN 106 -10.673   8.638  -7.321
  844   2HE2  GLN 106          2HE2      GLN 106 -10.827   9.850  -8.544
  845    H    ILE 107           H        ILE 107  -4.769   8.381  -5.205
  846    HA   ILE 107           HA       ILE 107  -2.896  10.423  -5.581
  847    HB   ILE 107           HB       ILE 107  -2.439   7.553  -4.744
  848   1HG1  ILE 107          2HG1      ILE 107  -2.606  10.024  -3.016
  849   2HG1  ILE 107          1HG1      ILE 107  -4.000   9.005  -3.364
  850   1HG2  ILE 107          1HG2      ILE 107  -0.555   9.573  -5.388
  851   2HG2  ILE 107          2HG2      ILE 107  -0.264   7.960  -4.741
  852   3HG2  ILE 107          3HG2      ILE 107  -0.513   9.317  -3.643
  853   1HD1  ILE 107          1HD1      ILE 107  -3.393   7.494  -1.857
  854   2HD1  ILE 107          2HD1      ILE 107  -2.271   8.717  -1.260
  855   3HD1  ILE 107          3HD1      ILE 107  -1.716   7.494  -2.403
  856    H    ILE 108           H        ILE 108  -3.262   7.290  -7.152
  857    HA   ILE 108           HA       ILE 108  -0.995   7.208  -8.747
  858    HB   ILE 108           HB       ILE 108  -3.694   6.379  -9.768
  859   1HG1  ILE 108          2HG1      ILE 108  -3.733   5.474  -7.600
  860   2HG1  ILE 108          1HG1      ILE 108  -3.188   4.155  -8.629
  861   1HG2  ILE 108          1HG2      ILE 108  -0.874   5.528 -10.255
  862   2HG2  ILE 108          2HG2      ILE 108  -2.112   6.024 -11.408
  863   3HG2  ILE 108          3HG2      ILE 108  -2.223   4.451 -10.618
  864   1HD1  ILE 108          1HD1      ILE 108  -1.962   4.323  -6.498
  865   2HD1  ILE 108          2HD1      ILE 108  -1.373   5.908  -6.996
  866   3HD1  ILE 108          3HD1      ILE 108  -0.921   4.471  -7.913
  867    H    SER 109           H        SER 109  -4.156   8.490  -9.484
  868    HA   SER 109           HA       SER 109  -3.683   9.478 -12.030
  869   1HB   SER 109          2HB       SER 109  -5.921   9.334 -10.951
  870   2HB   SER 109          1HB       SER 109  -5.496  10.730  -9.961
  871    HG   SER 109           HG       SER 109  -6.381  11.746 -11.599
  872    H    ARG 110           H        ARG 110  -2.793  10.808  -8.955
  873    HA   ARG 110           HA       ARG 110  -2.204  13.421  -9.894
  874   1HB   ARG 110          2HB       ARG 110  -1.258  11.995  -7.410
  875   2HB   ARG 110          1HB       ARG 110  -1.047  13.710  -7.727
  876   1HG   ARG 110          2HG       ARG 110  -3.462  14.018  -7.743
  877   2HG   ARG 110          1HG       ARG 110  -3.690  12.292  -7.455
  878   1HD   ARG 110          2HD       ARG 110  -2.369  12.561  -5.344
  879   2HD   ARG 110          1HD       ARG 110  -2.407  14.303  -5.616
  880    HE   ARG 110           HE       ARG 110  -5.015  13.636  -5.711
  881   1HH1  ARG 110          1HH1      ARG 110  -2.490  12.938  -3.403
  882   2HH1  ARG 110          2HH1      ARG 110  -3.574  12.861  -2.054
  883   1HH2  ARG 110          1HH2      ARG 110  -6.439  13.538  -3.938
  884   2HH2  ARG 110          2HH2      ARG 110  -5.816  13.201  -2.357
  885    H    TYR 111           H        TYR 111  -0.382  10.476  -9.511
  886    HA   TYR 111           HA       TYR 111   2.157  11.664 -10.075
  887   1HB   TYR 111          2HB       TYR 111   1.164   8.838  -9.875
  888   2HB   TYR 111          1HB       TYR 111   2.780   9.174 -10.488
  889    HD1  TYR 111           HD1      TYR 111   4.374  10.483  -8.993
  890    HD2  TYR 111           HD2      TYR 111   0.746   8.778  -7.568
  891    HE1  TYR 111           HE1      TYR 111   5.224  10.615  -6.690
  892    HE2  TYR 111           HE2      TYR 111   1.587   8.905  -5.260
  893    HH   TYR 111           HH       TYR 111   3.217  10.105  -3.958
  894    H    LYS 112           H        LYS 112  -0.396  10.253 -11.936
  895    HA   LYS 112           HA       LYS 112   1.101   9.961 -14.346
  896   1HB   LYS 112          2HB       LYS 112  -1.851   9.912 -13.741
  897   2HB   LYS 112          1HB       LYS 112  -1.216   9.716 -15.369
  898   1HG   LYS 112          2HG       LYS 112  -0.459   7.624 -14.971
  899   2HG   LYS 112          1HG       LYS 112  -0.071   7.965 -13.283
  900   1HD   LYS 112          2HD       LYS 112  -1.897   6.402 -13.355
  901   2HD   LYS 112          1HD       LYS 112  -2.504   7.957 -12.780
  902   1HE   LYS 112          2HE       LYS 112  -4.087   7.128 -14.344
  903   2HE   LYS 112          1HE       LYS 112  -3.216   8.439 -15.137
  904   1HZ   LYS 112          1HZ       LYS 112  -3.062   6.913 -16.769
  905   2HZ   LYS 112          2HZ       LYS 112  -3.222   5.591 -15.727
  906   3HZ   LYS 112          3HZ       LYS 112  -1.730   6.374 -15.875
  907    H    ASP 113           H        ASP 113  -0.835  12.473 -12.880
  908    HA   ASP 113           HA       ASP 113  -1.305  14.079 -15.121
  909   1HB   ASP 113          2HB       ASP 113  -0.929  14.827 -12.216
  910   2HB   ASP 113          1HB       ASP 113  -1.479  15.952 -13.455
  911    H    ALA 114           H        ALA 114   1.486  13.843 -12.987
  912    HA   ALA 114           HA       ALA 114   2.881  16.104 -13.889
  913   1HB   ALA 114          1HB       ALA 114   4.008  13.520 -12.818
  914   2HB   ALA 114          2HB       ALA 114   3.470  14.891 -11.847
  915   3HB   ALA 114          3HB       ALA 114   4.859  15.061 -12.922
  916    H    ASP 115           H        ASP 115   2.614  12.855 -15.175
  917    HA   ASP 115           HA       ASP 115   3.889  13.754 -17.636
  918   1HB   ASP 115          2HB       ASP 115   5.706  12.749 -16.276
  919   2HB   ASP 115          1HB       ASP 115   4.790  11.248 -16.197
  Start of MODEL   11
    1    HT1  PRO   1           HT2      PRO   1 -15.870  12.591   4.500
    2    HT2  PRO   1           HT1      PRO   1 -14.599  11.985   5.462
    3    HA   PRO   1           HA       PRO   1 -15.032  11.703   2.757
    4   1HB   PRO   1          2HB       PRO   1 -12.295  12.739   3.035
    5   2HB   PRO   1          1HB       PRO   1 -13.484  13.019   1.755
    6   1HG   PRO   1          2HG       PRO   1 -12.847  14.908   3.597
    7   2HG   PRO   1          1HG       PRO   1 -14.451  14.789   2.855
    8   1HD   PRO   1          2HD       PRO   1 -13.557  13.970   5.587
    9   2HD   PRO   1          1HD       PRO   1 -15.118  14.632   5.062
   10    H    SER   2           H        SER   2 -12.600  10.676   2.005
   11    HA   SER   2           HA       SER   2 -12.057   8.651   4.078
   12   1HB   SER   2          2HB       SER   2 -11.657   7.041   2.247
   13   2HB   SER   2          1HB       SER   2 -13.301   7.679   2.205
   14    HG   SER   2           HG       SER   2 -12.765   8.950   0.486
   15    H    HIS   3           H        HIS   3  -9.932   7.889   4.280
   16    HA   HIS   3           HA       HIS   3  -7.767   8.540   2.674
   17   1HB   HIS   3          2HB       HIS   3  -8.659  10.768   4.210
   18   2HB   HIS   3          1HB       HIS   3  -7.104  10.249   4.854
   19    HD1  HIS   3           HD1      HIS   3  -8.627  11.135   1.482
   20    HD2  HIS   3           HD2      HIS   3  -4.986  11.229   3.480
   21    HE1  HIS   3           HE1      HIS   3  -7.035  12.297  -0.079
   22    HE2  HIS   3           HE2      HIS   3  -4.816  12.263   1.115
   23    H    SER   4           H        SER   4  -8.923   8.038   5.922
   24    HA   SER   4           HA       SER   4  -6.616   6.275   6.426
   25   1HB   SER   4          2HB       SER   4  -6.763   6.874   8.814
   26   2HB   SER   4          1HB       SER   4  -6.443   8.292   7.813
   27    HG   SER   4           HG       SER   4  -8.058   8.802   9.269
   28    H    GLY   5           H        GLY   5  -7.078   4.246   6.940
   29   1HA   GLY   5          2HA       GLY   5  -9.582   3.549   8.232
   30   2HA   GLY   5          1HA       GLY   5  -9.399   2.951   6.588
   31    H    ALA   6           H        ALA   6  -9.579   1.480   9.150
   32    HA   ALA   6           HA       ALA   6  -7.055   0.492   9.884
   33   1HB   ALA   6          1HB       ALA   6  -8.978   0.186  11.314
   34   2HB   ALA   6          2HB       ALA   6  -8.260  -1.374  10.906
   35   3HB   ALA   6          3HB       ALA   6  -9.741  -0.848  10.103
   36    H    ALA   7           H        ALA   7  -5.824  -1.143   9.176
   37    HA   ALA   7           HA       ALA   7  -6.792  -2.984   7.171
   38   1HB   ALA   7          1HB       ALA   7  -4.559  -1.059   6.567
   39   2HB   ALA   7          2HB       ALA   7  -6.137  -1.126   5.782
   40   3HB   ALA   7          3HB       ALA   7  -4.989  -2.448   5.570
   41    H    ILE   8           H        ILE   8  -5.544  -4.865   6.958
   42    HA   ILE   8           HA       ILE   8  -3.626  -5.278   9.129
   43    HB   ILE   8           HB       ILE   8  -4.771  -7.334   7.248
   44   1HG1  ILE   8          2HG1      ILE   8  -5.713  -6.819  10.057
   45   2HG1  ILE   8          1HG1      ILE   8  -6.473  -6.065   8.656
   46   1HG2  ILE   8          1HG2      ILE   8  -2.618  -7.680   8.732
   47   2HG2  ILE   8          2HG2      ILE   8  -3.815  -8.956   8.533
   48   3HG2  ILE   8          3HG2      ILE   8  -3.819  -7.964   9.989
   49   1HD1  ILE   8          1HD1      ILE   8  -7.285  -8.049   7.861
   50   2HD1  ILE   8          2HD1      ILE   8  -7.422  -8.275   9.607
   51   3HD1  ILE   8          3HD1      ILE   8  -6.079  -9.011   8.720
   52    H    PHE   9           H        PHE   9  -1.566  -5.961   8.824
   53    HA   PHE   9           HA       PHE   9  -0.596  -6.465   6.128
   54   1HB   PHE   9          2HB       PHE   9  -0.291  -4.050   6.387
   55   2HB   PHE   9          1HB       PHE   9   0.575  -4.307   7.895
   56    HD1  PHE   9           HD1      PHE   9   0.761  -5.711   4.442
   57    HD2  PHE   9           HD2      PHE   9   2.822  -3.953   7.720
   58    HE1  PHE   9           HE1      PHE   9   2.874  -5.873   3.191
   59    HE2  PHE   9           HE2      PHE   9   4.941  -4.109   6.478
   60    HZ   PHE   9           HZ       PHE   9   4.969  -5.071   4.210
   61    H    GLU  10           H        GLU  10   0.169  -8.442   6.434
   62    HA   GLU  10           HA       GLU  10   1.634 -10.066   7.059
   63   1HB   GLU  10          2HB       GLU  10   2.705  -8.174   9.147
   64   2HB   GLU  10          1HB       GLU  10   3.482  -9.617   8.513
   65   1HG   GLU  10          2HG       GLU  10   3.612  -8.527   6.300
   66   2HG   GLU  10          1HG       GLU  10   2.940  -7.064   7.018
   67    H    LYS  11           H        LYS  11  -0.894 -10.231   7.928
   68    HA   LYS  11           HA       LYS  11  -2.234 -11.284   9.391
   69   1HB   LYS  11          2HB       LYS  11   0.480 -12.200  10.162
   70   2HB   LYS  11          1HB       LYS  11  -0.883 -12.648  11.183
   71   1HG   LYS  11          2HG       LYS  11  -1.927 -13.824   9.423
   72   2HG   LYS  11          1HG       LYS  11  -0.840 -13.123   8.221
   73   1HD   LYS  11          2HD       LYS  11   1.041 -14.329   9.243
   74   2HD   LYS  11          1HD       LYS  11  -0.065 -15.045  10.417
   75   1HE   LYS  11          2HE       LYS  11  -0.750 -15.360   7.554
   76   2HE   LYS  11          1HE       LYS  11   0.640 -16.268   8.145
   77   1HZ   LYS  11          1HZ       LYS  11  -1.826 -16.354   9.719
   78   2HZ   LYS  11          2HZ       LYS  11  -0.649 -17.548   9.491
   79   3HZ   LYS  11          3HZ       LYS  11  -1.781 -17.234   8.274
   80    H    VAL  12           H        VAL  12  -0.869  -8.541  10.114
   81    HA   VAL  12           HA       VAL  12  -1.903  -8.530  12.843
   82    HB   VAL  12           HB       VAL  12   0.422  -6.906  11.809
   83   1HG1  VAL  12          1HG1      VAL  12  -1.032  -5.698  13.421
   84   2HG1  VAL  12          2HG1      VAL  12   0.604  -5.975  14.018
   85   3HG1  VAL  12          3HG1      VAL  12  -0.727  -6.979  14.594
   86   1HG2  VAL  12          1HG2      VAL  12   1.848  -8.338  12.813
   87   2HG2  VAL  12          2HG2      VAL  12   0.528  -9.483  12.572
   88   3HG2  VAL  12          3HG2      VAL  12   0.733  -8.690  14.133
   89    H    SER  13           H        SER  13  -3.326  -6.887  13.319
   90    HA   SER  13           HA       SER  13  -4.116  -5.254  11.016
   91   1HB   SER  13          2HB       SER  13  -5.829  -6.740  12.050
   92   2HB   SER  13          1HB       SER  13  -5.680  -5.819  13.546
   93    HG   SER  13           HG       SER  13  -7.207  -5.280  11.467
   94    H    GLY  14           H        GLY  14  -4.414  -3.094  11.116
   95   1HA   GLY  14          2HA       GLY  14  -4.079  -1.576  13.524
   96   2HA   GLY  14          1HA       GLY  14  -2.664  -1.508  12.479
   97    H    ILE  15           H        ILE  15  -3.637   0.861  12.796
   98    HA   ILE  15           HA       ILE  15  -5.703   1.388  10.816
   99    HB   ILE  15           HB       ILE  15  -4.316   3.212  12.773
  100   1HG1  ILE  15          2HG1      ILE  15  -6.499   1.405  12.978
  101   2HG1  ILE  15          1HG1      ILE  15  -5.901   2.525  14.197
  102   1HG2  ILE  15          1HG2      ILE  15  -6.461   3.841  10.746
  103   2HG2  ILE  15          2HG2      ILE  15  -4.833   4.516  10.822
  104   3HG2  ILE  15          3HG2      ILE  15  -6.007   4.901  12.080
  105   1HD1  ILE  15          1HD1      ILE  15  -8.233   2.896  13.913
  106   2HD1  ILE  15          2HD1      ILE  15  -8.057   3.017  12.162
  107   3HD1  ILE  15          3HD1      ILE  15  -7.382   4.268  13.205
  108    H    ILE  16           H        ILE  16  -5.335   2.053   8.841
  109    HA   ILE  16           HA       ILE  16  -2.591   2.700   8.055
  110    HB   ILE  16           HB       ILE  16  -4.809   1.241   6.835
  111   1HG1  ILE  16          2HG1      ILE  16  -1.834   1.428   6.350
  112   2HG1  ILE  16          1HG1      ILE  16  -2.706   0.189   7.240
  113   1HG2  ILE  16          1HG2      ILE  16  -4.226   1.944   4.482
  114   2HG2  ILE  16          2HG2      ILE  16  -3.419   3.346   5.180
  115   3HG2  ILE  16          3HG2      ILE  16  -5.151   3.119   5.414
  116   1HD1  ILE  16          1HD1      ILE  16  -1.964   0.170   4.540
  117   2HD1  ILE  16          2HD1      ILE  16  -3.722   0.320   4.578
  118   3HD1  ILE  16          3HD1      ILE  16  -2.931  -1.019   5.411
  119    H    ALA  17           H        ALA  17  -2.102   4.767   7.772
  120    HA   ALA  17           HA       ALA  17  -4.251   6.650   7.055
  121   1HB   ALA  17          1HB       ALA  17  -3.296   7.159   9.214
  122   2HB   ALA  17          2HB       ALA  17  -2.825   8.401   8.055
  123   3HB   ALA  17          3HB       ALA  17  -1.670   7.156   8.531
  124    H    ILE  18           H        ILE  18  -3.955   8.073   5.367
  125    HA   ILE  18           HA       ILE  18  -1.682   7.467   3.615
  126    HB   ILE  18           HB       ILE  18  -4.525   8.084   3.140
  127   1HG1  ILE  18          2HG1      ILE  18  -2.585   6.771   1.261
  128   2HG1  ILE  18          1HG1      ILE  18  -3.167   5.928   2.693
  129   1HG2  ILE  18          1HG2      ILE  18  -4.067   9.036   0.884
  130   2HG2  ILE  18          2HG2      ILE  18  -2.388   9.257   1.377
  131   3HG2  ILE  18          3HG2      ILE  18  -3.676  10.112   2.224
  132   1HD1  ILE  18          1HD1      ILE  18  -4.630   5.211   1.076
  133   2HD1  ILE  18          2HD1      ILE  18  -4.658   6.773   0.258
  134   3HD1  ILE  18          3HD1      ILE  18  -5.512   6.564   1.786
  135    H    ASN  19           H        ASN  19  -0.108   8.915   3.570
  136    HA   ASN  19           HA       ASN  19  -0.736  11.714   4.226
  137   1HB   ASN  19          2HB       ASN  19   1.866  10.190   4.448
  138   2HB   ASN  19          1HB       ASN  19   1.695  11.914   4.758
  139   1HD2  ASN  19          1HD2      ASN  19   2.657  10.141   6.650
  140   2HD2  ASN  19          2HD2      ASN  19   1.523  10.036   7.951
  141    H    GLU  20           H        GLU  20  -0.992  12.884   2.449
  142    HA   GLU  20           HA       GLU  20   0.815  12.400   0.177
  143   1HB   GLU  20          2HB       GLU  20  -0.911  13.484  -1.222
  144   2HB   GLU  20          1HB       GLU  20  -1.502  12.034  -0.423
  145   1HG   GLU  20          2HG       GLU  20  -3.223  13.232   0.276
  146   2HG   GLU  20          1HG       GLU  20  -2.108  14.088   1.339
  147    H    ASP  21           H        ASP  21   0.295  14.462   2.718
  148    HA   ASP  21           HA       ASP  21   0.627  17.003   1.582
  149   1HB   ASP  21          2HB       ASP  21  -0.088  16.528   3.937
  150   2HB   ASP  21          1HB       ASP  21   1.583  16.108   4.303
  151    H    VAL  22           H        VAL  22   2.843  14.420   1.986
  152    HA   VAL  22           HA       VAL  22   5.130  16.188   1.730
  153    HB   VAL  22           HB       VAL  22   4.955  14.112   3.318
  154   1HG1  VAL  22          1HG1      VAL  22   5.371  12.042   2.520
  155   2HG1  VAL  22          2HG1      VAL  22   6.347  12.636   1.176
  156   3HG1  VAL  22          3HG1      VAL  22   4.587  12.713   1.090
  157   1HG2  VAL  22          1HG2      VAL  22   7.040  15.627   2.286
  158   2HG2  VAL  22          2HG2      VAL  22   7.588  13.955   2.165
  159   3HG2  VAL  22          3HG2      VAL  22   7.078  14.605   3.723
  160    H    SER  23           H        SER  23   6.839  14.405   0.377
  161    HA   SER  23           HA       SER  23   5.701  13.603  -2.108
  162   1HB   SER  23          2HB       SER  23   7.387  15.367  -3.268
  163   2HB   SER  23          1HB       SER  23   5.675  15.693  -3.001
  164    HG   SER  23           HG       SER  23   7.413  17.254  -2.215
  165    HA   PRO  24           HA       PRO  24   5.936  12.068  -3.292
  166   1HB   PRO  24          2HB       PRO  24   6.286   9.399  -3.124
  167   2HB   PRO  24          1HB       PRO  24   7.099  10.380  -4.348
  168   1HG   PRO  24          2HG       PRO  24   8.157   9.334  -1.750
  169   2HG   PRO  24          1HG       PRO  24   8.937   9.366  -3.343
  170   1HD   PRO  24          2HD       PRO  24   9.465  11.192  -1.400
  171   2HD   PRO  24          1HD       PRO  24   9.561  11.567  -3.132
  172    H    ALA  25           H        ALA  25   3.982  11.261  -2.523
  173    HA   ALA  25           HA       ALA  25   3.400  11.519   0.182
  174   1HB   ALA  25          1HB       ALA  25   1.273  10.344  -0.360
  175   2HB   ALA  25          2HB       ALA  25   1.928   9.980  -1.956
  176   3HB   ALA  25          3HB       ALA  25   1.663  11.655  -1.473
  177    H    GLU  26           H        GLU  26   2.346   9.660   1.508
  178    HA   GLU  26           HA       GLU  26   3.531   7.055   1.133
  179   1HB   GLU  26          2HB       GLU  26   4.342   8.772   3.484
  180   2HB   GLU  26          1HB       GLU  26   4.671   7.050   3.343
  181   1HG   GLU  26          2HG       GLU  26   5.973   7.517   1.289
  182   2HG   GLU  26          1HG       GLU  26   5.724   9.240   1.569
  183    H    LEU  27           H        LEU  27   2.568   5.442   2.349
  184    HA   LEU  27           HA       LEU  27   0.155   6.269   3.822
  185   1HB   LEU  27          2HB       LEU  27  -0.217   4.925   1.776
  186   2HB   LEU  27          1HB       LEU  27   0.745   3.634   2.470
  187    HG   LEU  27           HG       LEU  27  -1.701   4.637   3.887
  188   1HD1  LEU  27          1HD1      LEU  27  -2.697   4.114   1.866
  189   2HD1  LEU  27          2HD1      LEU  27  -2.787   2.585   2.740
  190   3HD1  LEU  27          3HD1      LEU  27  -1.544   2.828   1.512
  191   1HD2  LEU  27          1HD2      LEU  27   0.033   2.204   3.958
  192   2HD2  LEU  27          2HD2      LEU  27  -1.644   2.115   4.498
  193   3HD2  LEU  27          3HD2      LEU  27  -0.523   3.225   5.285
  194    H    THR  28           H        THR  28   0.413   6.169   5.963
  195    HA   THR  28           HA       THR  28   2.409   4.483   7.149
  196    HB   THR  28           HB       THR  28   0.594   5.969   8.888
  197    HG1  THR  28           HG1      THR  28   0.421   7.536   7.459
  198   1HG2  THR  28          1HG2      THR  28   2.804   5.161   9.585
  199   2HG2  THR  28          2HG2      THR  28   2.622   6.907   9.761
  200   3HG2  THR  28          3HG2      THR  28   3.534   6.247   8.405
  201    H    TRP  29           H        TRP  29   2.022   2.884   8.669
  202    HA   TRP  29           HA       TRP  29  -0.738   1.977   9.025
  203   1HB   TRP  29          2HB       TRP  29   0.280   0.549   7.311
  204   2HB   TRP  29          1HB       TRP  29   1.635   0.208   8.385
  205    HD1  TRP  29           HD1      TRP  29  -2.190   0.037   8.941
  206    HE1  TRP  29           HE1      TRP  29  -2.757  -2.270   9.949
  207    HE3  TRP  29           HE3      TRP  29   2.506  -1.976   9.051
  208    HZ2  TRP  29           HZ2      TRP  29  -1.389  -4.602  10.690
  209    HZ3  TRP  29           HZ3      TRP  29   2.787  -4.260   9.933
  210    HH2  TRP  29           HH2      TRP  29   0.868  -5.551  10.732
  211    H    ARG  30           H        ARG  30  -1.101   2.224  11.135
  212    HA   ARG  30           HA       ARG  30   1.077   1.564  13.004
  213   1HB   ARG  30          2HB       ARG  30   0.097   3.844  13.182
  214   2HB   ARG  30          1HB       ARG  30  -1.467   3.122  13.534
  215   1HG   ARG  30          2HG       ARG  30  -0.516   2.097  15.556
  216   2HG   ARG  30          1HG       ARG  30   1.024   2.885  15.211
  217   1HD   ARG  30          2HD       ARG  30  -0.132   5.077  15.313
  218   2HD   ARG  30          1HD       ARG  30  -1.610   4.238  15.786
  219    HE   ARG  30           HE       ARG  30  -0.760   3.996  17.899
  220   1HH1  ARG  30          1HH1      ARG  30   1.819   4.922  15.740
  221   2HH1  ARG  30          2HH1      ARG  30   2.963   5.176  17.015
  222   1HH2  ARG  30          1HH2      ARG  30   0.743   4.330  19.578
  223   2HH2  ARG  30          2HH2      ARG  30   2.352   4.841  19.193
  224    H    SER  31           H        SER  31   0.918  -0.251  14.204
  225    HA   SER  31           HA       SER  31  -1.126  -2.111  13.794
  226   1HB   SER  31          2HB       SER  31  -0.097  -3.384  15.620
  227   2HB   SER  31          1HB       SER  31   1.139  -2.729  14.547
  228    HG   SER  31           HG       SER  31   1.377  -2.491  16.956
  229    H    THR  32           H        THR  32  -2.567  -3.022  15.435
  230    HA   THR  32           HA       THR  32  -4.304  -1.117  16.498
  231    HB   THR  32           HB       THR  32  -3.944  -4.053  16.581
  232    HG1  THR  32           HG1      THR  32  -5.236  -3.033  15.001
  233   1HG2  THR  32          1HG2      THR  32  -5.880  -4.343  18.072
  234   2HG2  THR  32          2HG2      THR  32  -5.745  -2.640  18.511
  235   3HG2  THR  32          3HG2      THR  32  -4.427  -3.751  18.876
  236    H    ASP  33           H        ASP  33  -1.599  -2.840  17.785
  237    HA   ASP  33           HA       ASP  33  -2.060  -2.271  20.525
  238   1HB   ASP  33          2HB       ASP  33  -0.580  -4.112  19.595
  239   2HB   ASP  33          1HB       ASP  33   0.617  -2.861  19.275
  240    H    GLY  34           H        GLY  34  -0.397  -0.639  17.950
  241   1HA   GLY  34          2HA       GLY  34   0.109   1.629  17.818
  242   2HA   GLY  34          1HA       GLY  34  -0.301   1.794  19.519
  243    H    ASP  35           H        ASP  35   1.870  -0.695  18.508
  244    HA   ASP  35           HA       ASP  35   4.094   0.814  19.699
  245   1HB   ASP  35          2HB       ASP  35   3.481  -2.137  19.725
  246   2HB   ASP  35          1HB       ASP  35   5.068  -1.501  20.146
  247    H    LYS  36           H        LYS  36   2.963  -0.775  16.888
  248    HA   LYS  36           HA       LYS  36   5.626  -0.493  15.666
  249   1HB   LYS  36          2HB       LYS  36   3.844  -2.793  15.751
  250   2HB   LYS  36          1HB       LYS  36   4.260  -2.345  14.102
  251   1HG   LYS  36          2HG       LYS  36   6.613  -2.524  14.604
  252   2HG   LYS  36          1HG       LYS  36   6.254  -2.854  16.300
  253   1HD   LYS  36          2HD       LYS  36   6.726  -4.942  15.238
  254   2HD   LYS  36          1HD       LYS  36   4.990  -4.881  15.549
  255   1HE   LYS  36          2HE       LYS  36   4.630  -4.166  13.215
  256   2HE   LYS  36          1HE       LYS  36   6.362  -4.319  12.922
  257   1HZ   LYS  36          1HZ       LYS  36   5.822  -6.723  13.910
  258   2HZ   LYS  36          2HZ       LYS  36   5.752  -6.367  12.258
  259   3HZ   LYS  36          3HZ       LYS  36   4.334  -6.382  13.180
  260    H    VAL  37           H        VAL  37   5.722   0.845  13.988
  261    HA   VAL  37           HA       VAL  37   3.232   1.475  12.549
  262    HB   VAL  37           HB       VAL  37   5.397   3.483  13.172
  263   1HG1  VAL  37          1HG1      VAL  37   2.672   4.328  12.446
  264   2HG1  VAL  37          2HG1      VAL  37   3.600   3.553  11.163
  265   3HG1  VAL  37          3HG1      VAL  37   4.233   4.991  11.964
  266   1HG2  VAL  37          1HG2      VAL  37   4.509   3.243  15.265
  267   2HG2  VAL  37          2HG2      VAL  37   2.938   2.716  14.659
  268   3HG2  VAL  37          3HG2      VAL  37   3.382   4.423  14.594
  269    H    HIS  38           H        HIS  38   3.368   1.020  10.466
  270    HA   HIS  38           HA       HIS  38   6.036   0.932   9.217
  271   1HB   HIS  38          2HB       HIS  38   4.919  -1.213   9.156
  272   2HB   HIS  38          1HB       HIS  38   3.497  -0.484   8.429
  273    HD1  HIS  38           HD1      HIS  38   6.285  -2.431   7.507
  274    HD2  HIS  38           HD2      HIS  38   4.355   0.830   5.801
  275    HE1  HIS  38           HE1      HIS  38   6.933  -2.462   5.077
  276    HE2  HIS  38           HE2      HIS  38   5.822  -0.430   4.085
  277    H    THR  39           H        THR  39   6.429   1.950   7.337
  278    HA   THR  39           HA       THR  39   4.350   3.814   6.396
  279    HB   THR  39           HB       THR  39   7.324   4.237   6.142
  280    HG1  THR  39           HG1      THR  39   5.549   5.005   8.200
  281   1HG2  THR  39          1HG2      THR  39   5.028   6.172   5.991
  282   2HG2  THR  39          2HG2      THR  39   5.975   5.581   4.627
  283   3HG2  THR  39          3HG2      THR  39   6.740   6.577   5.867
  284    H    VAL  40           H        VAL  40   3.766   3.728   4.320
  285    HA   VAL  40           HA       VAL  40   5.342   2.005   2.521
  286    HB   VAL  40           HB       VAL  40   2.390   2.598   2.318
  287   1HG1  VAL  40          1HG1      VAL  40   3.847   1.895   0.282
  288   2HG1  VAL  40          2HG1      VAL  40   2.295   1.107   0.563
  289   3HG1  VAL  40          3HG1      VAL  40   3.791   0.298   1.029
  290   1HG2  VAL  40          1HG2      VAL  40   3.649   0.046   3.297
  291   2HG2  VAL  40          2HG2      VAL  40   1.937   0.473   3.279
  292   3HG2  VAL  40          3HG2      VAL  40   3.044   1.307   4.371
  293    H    VAL  41           H        VAL  41   5.870   2.730   0.507
  294    HA   VAL  41           HA       VAL  41   5.477   5.584   0.023
  295    HB   VAL  41           HB       VAL  41   7.198   3.660  -1.543
  296   1HG1  VAL  41          1HG1      VAL  41   6.644   6.546  -1.674
  297   2HG1  VAL  41          2HG1      VAL  41   7.193   5.435  -2.929
  298   3HG1  VAL  41          3HG1      VAL  41   8.346   6.099  -1.772
  299   1HG2  VAL  41          1HG2      VAL  41   7.753   3.866   0.929
  300   2HG2  VAL  41          2HG2      VAL  41   8.164   5.547   0.588
  301   3HG2  VAL  41          3HG2      VAL  41   9.048   4.244  -0.207
  302    H    LEU  42           H        LEU  42   3.902   6.254  -1.261
  303    HA   LEU  42           HA       LEU  42   2.480   4.391  -2.949
  304   1HB   LEU  42          2HB       LEU  42   2.012   7.355  -2.717
  305   2HB   LEU  42          1HB       LEU  42   0.881   6.129  -3.261
  306    HG   LEU  42           HG       LEU  42   1.875   6.564  -0.445
  307   1HD1  LEU  42          1HD1      LEU  42  -0.106   7.531   0.001
  308   2HD1  LEU  42          2HD1      LEU  42  -0.994   6.468  -1.091
  309   3HD1  LEU  42          3HD1      LEU  42  -0.112   7.855  -1.732
  310   1HD2  LEU  42          1HD2      LEU  42  -0.076   4.715  -0.210
  311   2HD2  LEU  42          2HD2      LEU  42   1.644   4.330  -0.272
  312   3HD2  LEU  42          3HD2      LEU  42   0.661   4.211  -1.731
  313    H    SER  43           H        SER  43   5.134   6.443  -3.359
  314    HA   SER  43           HA       SER  43   4.628   7.133  -6.108
  315   1HB   SER  43          2HB       SER  43   5.960   8.711  -4.976
  316   2HB   SER  43          1HB       SER  43   6.982   7.466  -4.259
  317    HG   SER  43           HG       SER  43   8.134   7.372  -6.037
  318    H    THR  44           H        THR  44   6.136   4.546  -4.365
  319    HA   THR  44           HA       THR  44   7.404   3.524  -6.784
  320    HB   THR  44           HB       THR  44   8.677   3.530  -4.654
  321    HG1  THR  44           HG1      THR  44   8.960   1.898  -6.355
  322   1HG2  THR  44          1HG2      THR  44   8.111   2.396  -2.780
  323   2HG2  THR  44          2HG2      THR  44   7.167   1.191  -3.657
  324   3HG2  THR  44          3HG2      THR  44   6.491   2.791  -3.355
  325    H    ILE  45           H        ILE  45   4.423   3.573  -6.195
  326    HA   ILE  45           HA       ILE  45   3.876   0.686  -6.319
  327    HB   ILE  45           HB       ILE  45   1.872   2.907  -5.921
  328   1HG1  ILE  45          2HG1      ILE  45   3.418   2.943  -4.053
  329   2HG1  ILE  45          1HG1      ILE  45   1.897   2.230  -3.527
  330   1HG2  ILE  45          1HG2      ILE  45   0.335   1.213  -5.334
  331   2HG2  ILE  45          2HG2      ILE  45   1.600  -0.011  -5.251
  332   3HG2  ILE  45          3HG2      ILE  45   1.124   0.660  -6.810
  333   1HD1  ILE  45          1HD1      ILE  45   2.942  -0.018  -3.875
  334   2HD1  ILE  45          2HD1      ILE  45   3.649   0.952  -2.582
  335   3HD1  ILE  45          3HD1      ILE  45   4.474   0.815  -4.134
  336    H    ASP  46           H        ASP  46   4.098   0.098  -8.406
  337    HA   ASP  46           HA       ASP  46   3.487   1.672 -10.643
  338   1HB   ASP  46          2HB       ASP  46   4.920  -0.384 -10.646
  339   2HB   ASP  46          1HB       ASP  46   3.454  -1.349 -10.507
  340    H    LYS  47           H        LYS  47   1.485  -0.270  -8.574
  341    HA   LYS  47           HA       LYS  47  -0.899   0.819  -9.635
  342   1HB   LYS  47          2HB       LYS  47  -1.629  -0.707 -11.117
  343   2HB   LYS  47          1HB       LYS  47   0.047  -1.229 -11.191
  344   1HG   LYS  47          2HG       LYS  47  -0.398  -2.957  -9.542
  345   2HG   LYS  47          1HG       LYS  47  -2.074  -2.421  -9.415
  346   1HD   LYS  47          2HD       LYS  47  -2.068  -4.301 -10.864
  347   2HD   LYS  47          1HD       LYS  47  -2.288  -2.878 -11.884
  348   1HE   LYS  47          2HE       LYS  47  -0.643  -3.829 -13.099
  349   2HE   LYS  47          1HE       LYS  47   0.399  -3.064 -11.901
  350   1HZ   LYS  47          1HZ       LYS  47   0.797  -5.500 -12.385
  351   2HZ   LYS  47          2HZ       LYS  47  -0.637  -5.812 -11.545
  352   3HZ   LYS  47          3HZ       LYS  47   0.660  -5.070 -10.754
  353    H    LEU  48           H        LEU  48  -2.862  -0.197  -8.634
  354    HA   LEU  48           HA       LEU  48  -2.238  -1.584  -6.123
  355   1HB   LEU  48          2HB       LEU  48  -3.658  -0.150  -4.853
  356   2HB   LEU  48          1HB       LEU  48  -2.518   0.856  -5.724
  357    HG   LEU  48           HG       LEU  48  -4.569   0.893  -7.471
  358   1HD1  LEU  48          1HD1      LEU  48  -5.762  -0.470  -5.500
  359   2HD1  LEU  48          2HD1      LEU  48  -6.624   0.632  -6.574
  360   3HD1  LEU  48          3HD1      LEU  48  -6.118   1.177  -4.975
  361   1HD2  LEU  48          1HD2      LEU  48  -4.580   3.081  -6.999
  362   2HD2  LEU  48          2HD2      LEU  48  -3.285   2.688  -5.869
  363   3HD2  LEU  48          3HD2      LEU  48  -4.947   2.814  -5.296
  364    H    GLN  49           H        GLN  49  -3.311  -3.440  -6.096
  365    HA   GLN  49           HA       GLN  49  -5.919  -3.580  -7.457
  366   1HB   GLN  49          2HB       GLN  49  -3.918  -5.768  -6.863
  367   2HB   GLN  49          1HB       GLN  49  -5.503  -6.034  -7.578
  368   1HG   GLN  49          2HG       GLN  49  -4.878  -4.684  -9.502
  369   2HG   GLN  49          1HG       GLN  49  -3.302  -4.369  -8.780
  370   1HE2  GLN  49          1HE2      GLN  49  -3.614  -5.498 -11.297
  371   2HE2  GLN  49          2HE2      GLN  49  -3.038  -7.126 -11.256
  372    H    ALA  50           H        ALA  50  -7.596  -4.840  -6.477
  373    HA   ALA  50           HA       ALA  50  -7.262  -5.453  -3.635
  374   1HB   ALA  50          1HB       ALA  50  -9.680  -3.914  -4.497
  375   2HB   ALA  50          2HB       ALA  50  -8.190  -3.079  -4.057
  376   3HB   ALA  50          3HB       ALA  50  -8.999  -4.116  -2.882
  377    H    THR  51           H        THR  51  -9.056  -6.736  -2.759
  378    HA   THR  51           HA       THR  51  -9.779  -8.830  -4.544
  379    HB   THR  51           HB       THR  51 -11.137  -9.634  -2.546
  380    HG1  THR  51           HG1      THR  51 -11.543  -7.867  -1.372
  381   1HG2  THR  51          1HG2      THR  51  -9.160 -10.079  -1.110
  382   2HG2  THR  51          2HG2      THR  51  -8.215  -9.039  -2.175
  383   3HG2  THR  51          3HG2      THR  51  -8.942 -10.517  -2.805
  384    HA   PRO  52           HA       PRO  52 -13.641  -7.352  -6.085
  385   1HB   PRO  52          2HB       PRO  52 -14.947  -9.694  -6.513
  386   2HB   PRO  52          1HB       PRO  52 -13.617  -9.136  -7.534
  387   1HG   PRO  52          2HG       PRO  52 -13.581 -11.123  -5.295
  388   2HG   PRO  52          1HG       PRO  52 -12.784 -11.205  -6.877
  389   1HD   PRO  52          2HD       PRO  52 -11.465 -10.502  -4.620
  390   2HD   PRO  52          1HD       PRO  52 -11.044  -9.847  -6.214
  391    H    ALA  53           H        ALA  53 -15.931  -7.253  -5.634
  392    HA   ALA  53           HA       ALA  53 -16.502  -7.201  -2.854
  393   1HB   ALA  53          1HB       ALA  53 -17.507  -5.893  -4.977
  394   2HB   ALA  53          2HB       ALA  53 -18.328  -6.005  -3.420
  395   3HB   ALA  53          3HB       ALA  53 -18.771  -7.097  -4.731
  396    H    SER  54           H        SER  54 -16.599  -9.722  -5.106
  397    HA   SER  54           HA       SER  54 -18.760 -11.160  -3.795
  398   1HB   SER  54          2HB       SER  54 -16.966 -11.866  -6.125
  399   2HB   SER  54          1HB       SER  54 -18.218 -12.935  -5.491
  400    HG   SER  54           HG       SER  54 -19.184 -11.821  -7.106
  401    H    SER  55           H        SER  55 -15.617 -10.619  -3.049
  402    HA   SER  55           HA       SER  55 -15.139 -13.325  -2.029
  403   1HB   SER  55          2HB       SER  55 -12.870 -12.915  -2.143
  404   2HB   SER  55          1HB       SER  55 -13.437 -11.898  -3.467
  405    HG   SER  55           HG       SER  55 -12.455 -11.182  -0.957
  406    H    GLU  56           H        GLU  56 -15.768 -13.645  -0.013
  407    HA   GLU  56           HA       GLU  56 -16.492 -11.646   1.793
  408   1HB   GLU  56          2HB       GLU  56 -15.634 -14.495   2.332
  409   2HB   GLU  56          1HB       GLU  56 -16.409 -13.447   3.511
  410   1HG   GLU  56          2HG       GLU  56 -18.376 -13.289   2.044
  411   2HG   GLU  56          1HG       GLU  56 -17.601 -14.403   0.919
  412    H    LYS  57           H        LYS  57 -13.407 -12.805   0.897
  413    HA   LYS  57           HA       LYS  57 -12.138 -11.778   3.325
  414   1HB   LYS  57          2HB       LYS  57 -10.907 -13.178   0.944
  415   2HB   LYS  57          1HB       LYS  57 -10.080 -12.763   2.439
  416   1HG   LYS  57          2HG       LYS  57 -12.407 -14.661   2.221
  417   2HG   LYS  57          1HG       LYS  57 -10.710 -15.134   2.322
  418   1HD   LYS  57          2HD       LYS  57 -11.020 -15.193   4.536
  419   2HD   LYS  57          1HD       LYS  57 -10.999 -13.431   4.462
  420   1HE   LYS  57          2HE       LYS  57 -13.550 -13.773   3.881
  421   2HE   LYS  57          1HE       LYS  57 -13.301 -15.301   4.724
  422   1HZ   LYS  57          1HZ       LYS  57 -12.974 -14.265   6.703
  423   2HZ   LYS  57          2HZ       LYS  57 -14.002 -13.125   5.993
  424   3HZ   LYS  57          3HZ       LYS  57 -12.330 -12.861   6.011
  425    H    MET  58           H        MET  58 -12.000  -9.612   3.277
  426    HA   MET  58           HA       MET  58 -11.484  -8.178   0.827
  427   1HB   MET  58          2HB       MET  58 -11.506  -7.066   3.632
  428   2HB   MET  58          1HB       MET  58 -11.742  -6.185   2.130
  429   1HG   MET  58          2HG       MET  58 -13.917  -6.653   2.067
  430   2HG   MET  58          1HG       MET  58 -13.657  -8.344   2.489
  431   1HE   MET  58          1HE       MET  58 -15.996  -7.558   3.178
  432   2HE   MET  58          2HE       MET  58 -16.385  -6.655   4.642
  433   3HE   MET  58          3HE       MET  58 -15.965  -8.365   4.747
  434    H    MET  59           H        MET  59  -9.544  -7.740   0.032
  435    HA   MET  59           HA       MET  59  -7.300  -7.231   1.808
  436   1HB   MET  59          2HB       MET  59  -7.204  -9.414  -0.283
  437   2HB   MET  59          1HB       MET  59  -5.837  -8.849   0.666
  438   1HG   MET  59          2HG       MET  59  -7.008  -9.578   2.714
  439   2HG   MET  59          1HG       MET  59  -8.297 -10.232   1.707
  440   1HE   MET  59          1HE       MET  59  -6.378 -13.346   3.138
  441   2HE   MET  59          2HE       MET  59  -7.992 -12.924   2.568
  442   3HE   MET  59          3HE       MET  59  -7.186 -11.909   3.764
  443    H    LEU  60           H        LEU  60  -5.844  -5.815   0.962
  444    HA   LEU  60           HA       LEU  60  -6.305  -4.962  -1.822
  445   1HB   LEU  60          2HB       LEU  60  -6.899  -3.326   0.003
  446   2HB   LEU  60          1HB       LEU  60  -5.196  -3.275   0.416
  447    HG   LEU  60           HG       LEU  60  -4.959  -2.658  -2.157
  448   1HD1  LEU  60          1HD1      LEU  60  -7.400  -1.094  -1.755
  449   2HD1  LEU  60          2HD1      LEU  60  -7.672  -2.816  -2.018
  450   3HD1  LEU  60          3HD1      LEU  60  -6.773  -1.875  -3.208
  451   1HD2  LEU  60          1HD2      LEU  60  -4.471  -1.355   0.056
  452   2HD2  LEU  60          2HD2      LEU  60  -5.934  -0.471  -0.378
  453   3HD2  LEU  60          3HD2      LEU  60  -4.559  -0.496  -1.482
  454    H    ARG  61           H        ARG  61  -4.708  -5.488  -3.148
  455    HA   ARG  61           HA       ARG  61  -2.013  -5.873  -2.050
  456   1HB   ARG  61          2HB       ARG  61  -3.057  -7.774  -3.266
  457   2HB   ARG  61          1HB       ARG  61  -3.127  -6.774  -4.711
  458   1HG   ARG  61          2HG       ARG  61  -0.694  -6.615  -4.729
  459   2HG   ARG  61          1HG       ARG  61  -0.616  -7.607  -3.272
  460   1HD   ARG  61          2HD       ARG  61  -1.791  -8.479  -5.909
  461   2HD   ARG  61          1HD       ARG  61  -0.180  -8.895  -5.330
  462    HE   ARG  61           HE       ARG  61  -1.117 -10.388  -3.833
  463   1HH1  ARG  61          1HH1      ARG  61  -3.629  -8.550  -5.418
  464   2HH1  ARG  61          2HH1      ARG  61  -4.902  -9.583  -4.865
  465   1HH2  ARG  61          1HH2      ARG  61  -2.793 -11.745  -3.110
  466   2HH2  ARG  61          2HH2      ARG  61  -4.429 -11.396  -3.556
  467    H    LEU  62           H        LEU  62  -0.276  -4.748  -2.791
  468    HA   LEU  62           HA       LEU  62  -0.798  -2.690  -4.838
  469   1HB   LEU  62          2HB       LEU  62   0.037  -2.388  -2.119
  470   2HB   LEU  62          1HB       LEU  62   1.338  -1.857  -3.167
  471    HG   LEU  62           HG       LEU  62  -0.358  -0.391  -4.343
  472   1HD1  LEU  62          1HD1      LEU  62  -2.363   0.186  -2.998
  473   2HD1  LEU  62          2HD1      LEU  62  -2.006  -1.186  -1.949
  474   3HD1  LEU  62          3HD1      LEU  62  -2.394  -1.455  -3.648
  475   1HD2  LEU  62          1HD2      LEU  62   1.311   0.331  -2.582
  476   2HD2  LEU  62          2HD2      LEU  62  -0.021   0.263  -1.428
  477   3HD2  LEU  62          3HD2      LEU  62  -0.095   1.373  -2.798
  478    H    ILE  63           H        ILE  63   0.451  -2.821  -6.577
  479    HA   ILE  63           HA       ILE  63   2.869  -4.478  -6.446
  480    HB   ILE  63           HB       ILE  63   1.393  -3.526  -8.905
  481   1HG1  ILE  63          2HG1      ILE  63   0.923  -6.168  -8.848
  482   2HG1  ILE  63          1HG1      ILE  63   1.034  -5.874  -7.116
  483   1HG2  ILE  63          1HG2      ILE  63   2.939  -4.575 -10.154
  484   2HG2  ILE  63          2HG2      ILE  63   3.080  -5.924  -9.026
  485   3HG2  ILE  63          3HG2      ILE  63   3.958  -4.425  -8.721
  486   1HD1  ILE  63          1HD1      ILE  63  -0.615  -3.883  -7.808
  487   2HD1  ILE  63          2HD1      ILE  63  -1.162  -5.491  -7.335
  488   3HD1  ILE  63          3HD1      ILE  63  -1.031  -5.072  -9.043
  489    H    GLY  64           H        GLY  64   4.830  -3.631  -6.680
  490   1HA   GLY  64          2HA       GLY  64   5.106  -0.767  -6.918
  491   2HA   GLY  64          1HA       GLY  64   6.403  -1.921  -6.646
  492    H    LYS  65           H        LYS  65   7.290  -0.201  -8.246
  493    HA   LYS  65           HA       LYS  65   6.781  -1.150 -10.990
  494   1HB   LYS  65          2HB       LYS  65   7.459   1.045 -11.792
  495   2HB   LYS  65          1HB       LYS  65   6.135   1.200 -10.646
  496   1HG   LYS  65          2HG       LYS  65   7.827   1.731  -8.887
  497   2HG   LYS  65          1HG       LYS  65   9.048   1.768 -10.160
  498   1HD   LYS  65          2HD       LYS  65   6.569   3.487 -10.096
  499   2HD   LYS  65          1HD       LYS  65   8.174   4.013  -9.583
  500   1HE   LYS  65          2HE       LYS  65   9.043   3.725 -11.799
  501   2HE   LYS  65          1HE       LYS  65   7.539   2.978 -12.341
  502   1HZ   LYS  65          1HZ       LYS  65   7.790   5.783 -11.396
  503   2HZ   LYS  65          2HZ       LYS  65   6.399   5.056 -12.028
  504   3HZ   LYS  65          3HZ       LYS  65   7.743   5.312 -13.021
  505    H    VAL  66           H        VAL  66   8.836  -0.378 -12.394
  506    HA   VAL  66           HA       VAL  66  11.124  -1.706 -11.118
  507    HB   VAL  66           HB       VAL  66  10.706  -1.176 -14.062
  508   1HG1  VAL  66          1HG1      VAL  66  12.445  -3.357 -13.100
  509   2HG1  VAL  66          2HG1      VAL  66  13.029  -1.716 -12.822
  510   3HG1  VAL  66          3HG1      VAL  66  12.652  -2.252 -14.459
  511   1HG2  VAL  66          1HG2      VAL  66   9.098  -2.797 -12.701
  512   2HG2  VAL  66          2HG2      VAL  66  10.449  -3.907 -12.930
  513   3HG2  VAL  66          3HG2      VAL  66   9.659  -3.180 -14.329
  514    H    ASP  67           H        ASP  67  12.986  -0.655 -10.755
  515    HA   ASP  67           HA       ASP  67  13.121   2.151 -10.910
  516   1HB   ASP  67          2HB       ASP  67  15.300   0.093 -10.502
  517   2HB   ASP  67          1HB       ASP  67  15.536   1.829 -10.314
  518    H    GLU  68           H        GLU  68  14.527   3.488 -12.161
  519    HA   GLU  68           HA       GLU  68  15.013   2.400 -14.847
  520   1HB   GLU  68          2HB       GLU  68  14.628   5.260 -13.946
  521   2HB   GLU  68          1HB       GLU  68  14.967   4.766 -15.599
  522   1HG   GLU  68          2HG       GLU  68  12.872   3.479 -15.619
  523   2HG   GLU  68          1HG       GLU  68  12.525   4.055 -13.989
  524    H    SER  69           H        SER  69  16.824   1.959 -12.708
  525    HA   SER  69           HA       SER  69  19.001   3.777 -12.801
  526   1HB   SER  69          2HB       SER  69  19.008   0.861 -11.991
  527   2HB   SER  69          1HB       SER  69  20.253   2.049 -11.606
  528    HG   SER  69           HG       SER  69  18.733   3.169 -10.365
  529    H    LYS  70           H        LYS  70  18.003   1.152 -14.798
  530    HA   LYS  70           HA       LYS  70  20.435   0.434 -15.980
  531   1HB   LYS  70          2HB       LYS  70  19.082  -0.434 -17.832
  532   2HB   LYS  70          1HB       LYS  70  18.394  -0.874 -16.275
  533   1HG   LYS  70          2HG       LYS  70  16.771   0.959 -16.493
  534   2HG   LYS  70          1HG       LYS  70  17.441   1.336 -18.082
  535   1HD   LYS  70          2HD       LYS  70  15.509   0.007 -18.455
  536   2HD   LYS  70          1HD       LYS  70  16.903  -1.036 -18.744
  537   1HE   LYS  70          2HE       LYS  70  16.445  -2.360 -16.975
  538   2HE   LYS  70          1HE       LYS  70  15.884  -1.014 -15.982
  539   1HZ   LYS  70          1HZ       LYS  70  14.036  -2.409 -16.421
  540   2HZ   LYS  70          2HZ       LYS  70  14.363  -2.455 -18.079
  541   3HZ   LYS  70          3HZ       LYS  70  13.828  -1.018 -17.363
  542    H    LYS  71           H        LYS  71  18.149   3.007 -16.754
  543    HA   LYS  71           HA       LYS  71  19.454   3.844 -19.135
  544   1HB   LYS  71          2HB       LYS  71  17.222   4.757 -17.471
  545   2HB   LYS  71          1HB       LYS  71  18.110   6.071 -18.230
  546   1HG   LYS  71          2HG       LYS  71  16.375   5.528 -19.714
  547   2HG   LYS  71          1HG       LYS  71  17.835   4.820 -20.411
  548   1HD   LYS  71          2HD       LYS  71  17.227   2.639 -19.580
  549   2HD   LYS  71          1HD       LYS  71  15.842   3.313 -18.720
  550   1HE   LYS  71          2HE       LYS  71  15.213   4.169 -21.141
  551   2HE   LYS  71          1HE       LYS  71  16.221   2.806 -21.627
  552   1HZ   LYS  71          1HZ       LYS  71  14.115   1.895 -21.484
  553   2HZ   LYS  71          2HZ       LYS  71  13.693   2.786 -20.110
  554   3HZ   LYS  71          3HZ       LYS  71  14.777   1.494 -19.979
  555    H    ARG  72           H        ARG  72  20.724   5.716 -19.481
  556    HA   ARG  72           HA       ARG  72  22.417   7.173 -19.056
  557   1HB   ARG  72          2HB       ARG  72  20.490   7.666 -17.079
  558   2HB   ARG  72          1HB       ARG  72  22.025   7.607 -16.223
  559   1HG   ARG  72          2HG       ARG  72  22.933   9.288 -17.761
  560   2HG   ARG  72          1HG       ARG  72  21.373   9.363 -18.581
  561   1HD   ARG  72          2HD       ARG  72  21.902  10.040 -15.690
  562   2HD   ARG  72          1HD       ARG  72  21.615  11.194 -16.990
  563    HE   ARG  72           HE       ARG  72  19.651   9.740 -15.529
  564   1HH1  ARG  72          1HH1      ARG  72  20.355  11.091 -18.669
  565   2HH1  ARG  72          2HH1      ARG  72  18.688  11.281 -19.099
  566   1HH2  ARG  72          1HH2      ARG  72  17.458   9.989 -16.093
  567   2HH2  ARG  72          2HH2      ARG  72  17.043  10.657 -17.637
  568    H    LYS  73           H        LYS  73  24.540   6.959 -18.589
  569    HA   LYS  73           HA       LYS  73  25.526   4.519 -17.633
  570   1HB   LYS  73          2HB       LYS  73  26.585   6.673 -18.964
  571   2HB   LYS  73          1HB       LYS  73  27.377   6.787 -17.400
  572   1HG   LYS  73          2HG       LYS  73  28.810   5.500 -18.726
  573   2HG   LYS  73          1HG       LYS  73  27.976   4.337 -17.693
  574   1HD   LYS  73          2HD       LYS  73  26.498   3.720 -19.477
  575   2HD   LYS  73          1HD       LYS  73  27.124   5.012 -20.505
  576   1HE   LYS  73          2HE       LYS  73  29.367   3.896 -20.373
  577   2HE   LYS  73          1HE       LYS  73  28.574   2.543 -19.568
  578   1HZ   LYS  73          1HZ       LYS  73  27.197   2.218 -21.510
  579   2HZ   LYS  73          2HZ       LYS  73  28.828   2.172 -21.952
  580   3HZ   LYS  73          3HZ       LYS  73  27.901   3.548 -22.281
  581    H    ASP  74           H        ASP  74  27.621   5.137 -15.915
  582    HA   ASP  74           HA       ASP  74  26.350   6.218 -13.507
  583   1HB   ASP  74          2HB       ASP  74  26.243   3.618 -13.728
  584   2HB   ASP  74          1HB       ASP  74  27.955   3.688 -13.319
  585    H    ASN  75           H        ASN  75  28.020   6.406 -11.695
  586    HA   ASN  75           HA       ASN  75  30.184   7.954 -12.658
  587   1HB   ASN  75          2HB       ASN  75  29.590   6.906  -9.888
  588   2HB   ASN  75          1HB       ASN  75  30.866   8.063 -10.256
  589   1HD2  ASN  75          1HD2      ASN  75  28.830   8.603  -8.464
  590   2HD2  ASN  75          2HD2      ASN  75  27.833   9.859  -9.108
  591    H    GLU  76           H        GLU  76  29.876   4.663 -11.588
  592    HA   GLU  76           HA       GLU  76  32.679   4.206 -12.341
  593   1HB   GLU  76          2HB       GLU  76  31.220   3.300  -9.885
  594   2HB   GLU  76          1HB       GLU  76  32.551   2.344 -10.522
  595   1HG   GLU  76          2HG       GLU  76  32.698   5.226  -9.669
  596   2HG   GLU  76          1HG       GLU  76  33.291   3.840  -8.753
  597    H    GLY  77           H        GLY  77  30.384   3.898 -13.975
  598   1HA   GLY  77          2HA       GLY  77  29.349   2.379 -15.359
  599   2HA   GLY  77          1HA       GLY  77  30.838   1.464 -15.188
  600    H    ASN  78           H        ASN  78  28.840   2.135 -12.422
  601    HA   ASN  78           HA       ASN  78  28.342  -0.727 -12.136
  602   1HB   ASN  78          2HB       ASN  78  27.928   1.547 -10.183
  603   2HB   ASN  78          1HB       ASN  78  27.690  -0.160  -9.822
  604   1HD2  ASN  78          1HD2      ASN  78  29.810  -1.360 -10.940
  605   2HD2  ASN  78          2HD2      ASN  78  31.280  -0.803 -10.223
  606    H    GLU  79           H        GLU  79  26.324  -1.636 -11.966
  607    HA   GLU  79           HA       GLU  79  24.014   0.130 -12.387
  608   1HB   GLU  79          2HB       GLU  79  23.079  -1.417 -14.012
  609   2HB   GLU  79          1HB       GLU  79  24.665  -0.875 -14.543
  610   1HG   GLU  79          2HG       GLU  79  25.625  -2.985 -13.670
  611   2HG   GLU  79          1HG       GLU  79  23.991  -3.525 -13.287
  612    H    VAL  80           H        VAL  80  21.910  -1.155 -12.059
  613    HA   VAL  80           HA       VAL  80  22.249  -3.088  -9.862
  614    HB   VAL  80           HB       VAL  80  20.252  -2.118  -8.765
  615   1HG1  VAL  80          1HG1      VAL  80  22.266   0.072  -9.105
  616   2HG1  VAL  80          2HG1      VAL  80  22.696  -1.442  -8.310
  617   3HG1  VAL  80          3HG1      VAL  80  21.407  -0.434  -7.650
  618   1HG2  VAL  80          1HG2      VAL  80  19.044  -0.409  -9.599
  619   2HG2  VAL  80          2HG2      VAL  80  19.745  -0.914 -11.136
  620   3HG2  VAL  80          3HG2      VAL  80  20.464   0.421 -10.235
  621    H    VAL  81           H        VAL  81  20.261  -4.382  -9.450
  622    HA   VAL  81           HA       VAL  81  18.907  -4.986 -11.997
  623    HB   VAL  81           HB       VAL  81  19.310  -6.860  -9.663
  624   1HG1  VAL  81          1HG1      VAL  81  18.772  -8.568 -11.454
  625   2HG1  VAL  81          2HG1      VAL  81  18.228  -7.215 -12.445
  626   3HG1  VAL  81          3HG1      VAL  81  17.433  -7.559 -10.909
  627   1HG2  VAL  81          1HG2      VAL  81  21.311  -5.967 -11.271
  628   2HG2  VAL  81          2HG2      VAL  81  20.756  -7.383 -12.163
  629   3HG2  VAL  81          3HG2      VAL  81  21.285  -7.547 -10.488
  630    HA   PRO  82           HA       PRO  82  15.491  -3.114  -9.553
  631   1HB   PRO  82          2HB       PRO  82  14.228  -3.664 -12.200
  632   2HB   PRO  82          1HB       PRO  82  14.138  -2.217 -11.189
  633   1HG   PRO  82          2HG       PRO  82  15.671  -2.252 -13.363
  634   2HG   PRO  82          1HG       PRO  82  16.212  -1.440 -11.882
  635   1HD   PRO  82          2HD       PRO  82  17.064  -4.057 -13.033
  636   2HD   PRO  82          1HD       PRO  82  18.014  -2.851 -12.141
  637    H    LYS  83           H        LYS  83  13.851  -4.099  -8.484
  638    HA   LYS  83           HA       LYS  83  12.849  -6.671  -9.447
  639   1HB   LYS  83          2HB       LYS  83  14.707  -7.212  -7.936
  640   2HB   LYS  83          1HB       LYS  83  13.965  -6.246  -6.669
  641   1HG   LYS  83          2HG       LYS  83  13.500  -8.532  -6.213
  642   2HG   LYS  83          1HG       LYS  83  11.999  -7.780  -6.754
  643   1HD   LYS  83          2HD       LYS  83  12.943  -8.641  -9.114
  644   2HD   LYS  83          1HD       LYS  83  13.664  -9.851  -8.051
  645   1HE   LYS  83          2HE       LYS  83  11.673 -10.788  -7.546
  646   2HE   LYS  83          1HE       LYS  83  10.825  -9.243  -7.555
  647   1HZ   LYS  83          1HZ       LYS  83  10.001 -10.470  -9.367
  648   2HZ   LYS  83          2HZ       LYS  83  11.546 -10.931  -9.880
  649   3HZ   LYS  83          3HZ       LYS  83  11.045  -9.323 -10.043
  650    HA   PRO  84           HA       PRO  84   9.321  -3.958  -8.262
  651   1HB   PRO  84          2HB       PRO  84   7.997  -6.280  -9.587
  652   2HB   PRO  84          1HB       PRO  84   7.700  -4.548  -9.787
  653   1HG   PRO  84          2HG       PRO  84   9.036  -5.912 -11.639
  654   2HG   PRO  84          1HG       PRO  84   9.517  -4.263 -11.199
  655   1HD   PRO  84          2HD       PRO  84  10.784  -6.865 -10.474
  656   2HD   PRO  84          1HD       PRO  84  11.539  -5.293 -10.805
  657    H    GLN  85           H        GLN  85   8.422  -4.060  -6.310
  658    HA   GLN  85           HA       GLN  85   8.083  -6.699  -5.054
  659   1HB   GLN  85          2HB       GLN  85   8.406  -3.971  -3.792
  660   2HB   GLN  85          1HB       GLN  85   8.122  -5.458  -2.899
  661   1HG   GLN  85          2HG       GLN  85  10.226  -6.366  -3.703
  662   2HG   GLN  85          1HG       GLN  85  10.507  -4.906  -4.651
  663   1HE2  GLN  85          1HE2      GLN  85  12.336  -5.800  -2.802
  664   2HE2  GLN  85          2HE2      GLN  85  12.403  -4.693  -1.477
  665    H    ARG  86           H        ARG  86   6.183  -7.156  -3.890
  666    HA   ARG  86           HA       ARG  86   3.905  -5.391  -4.517
  667   1HB   ARG  86          2HB       ARG  86   3.967  -8.412  -4.447
  668   2HB   ARG  86          1HB       ARG  86   2.508  -7.447  -4.623
  669   1HG   ARG  86          2HG       ARG  86   3.423  -6.503  -6.711
  670   2HG   ARG  86          1HG       ARG  86   4.825  -7.562  -6.544
  671   1HD   ARG  86          2HD       ARG  86   3.232  -9.501  -6.520
  672   2HD   ARG  86          1HD       ARG  86   1.948  -8.367  -6.936
  673    HE   ARG  86           HE       ARG  86   3.798  -7.919  -8.852
  674   1HH1  ARG  86          1HH1      ARG  86   2.258 -10.817  -7.666
  675   2HH1  ARG  86          2HH1      ARG  86   2.350 -11.640  -9.187
  676   1HH2  ARG  86          1HH2      ARG  86   3.921  -8.998 -10.854
  677   2HH2  ARG  86          2HH2      ARG  86   3.293 -10.607 -10.998
  678    H    HIS  87           H        HIS  87   2.573  -4.859  -2.884
  679    HA   HIS  87           HA       HIS  87   3.152  -6.024  -0.244
  680   1HB   HIS  87          2HB       HIS  87   2.282  -3.285  -1.113
  681   2HB   HIS  87          1HB       HIS  87   1.931  -3.844   0.518
  682    HD1  HIS  87           HD1      HIS  87   3.704  -3.408   2.190
  683    HD2  HIS  87           HD2      HIS  87   5.199  -3.430  -1.687
  684    HE1  HIS  87           HE1      HIS  87   6.124  -2.759   2.402
  685    HE2  HIS  87           HE2      HIS  87   6.986  -2.697   0.034
  686    H    MET  88           H        MET  88   1.681  -7.438   0.420
  687    HA   MET  88           HA       MET  88  -1.069  -7.208  -0.566
  688   1HB   MET  88          2HB       MET  88   0.348  -9.498   0.812
  689   2HB   MET  88          1HB       MET  88  -1.325  -9.531   0.274
  690   1HG   MET  88          2HG       MET  88  -0.560  -9.181  -2.040
  691   2HG   MET  88          1HG       MET  88   1.107  -9.237  -1.472
  692   1HE   MET  88          1HE       MET  88   1.251 -10.645  -3.385
  693   2HE   MET  88          2HE       MET  88   0.218 -12.030  -3.734
  694   3HE   MET  88          3HE       MET  88   1.756 -12.263  -2.905
  695    H    PHE  89           H        PHE  89  -2.639  -6.488   0.707
  696    HA   PHE  89           HA       PHE  89  -2.170  -6.439   3.616
  697   1HB   PHE  89          2HB       PHE  89  -3.613  -4.475   1.840
  698   2HB   PHE  89          1HB       PHE  89  -3.772  -4.471   3.593
  699    HD1  PHE  89           HD1      PHE  89  -1.860  -3.910   5.009
  700    HD2  PHE  89           HD2      PHE  89  -1.641  -3.674   0.768
  701    HE1  PHE  89           HE1      PHE  89   0.171  -2.530   5.195
  702    HE2  PHE  89           HE2      PHE  89   0.388  -2.298   0.943
  703    HZ   PHE  89           HZ       PHE  89   1.298  -1.723   3.159
  704    H    SER  90           H        SER  90  -4.133  -6.492   4.951
  705    HA   SER  90           HA       SER  90  -6.329  -7.988   3.682
  706   1HB   SER  90          2HB       SER  90  -4.588  -8.788   5.911
  707   2HB   SER  90          1HB       SER  90  -6.310  -8.957   6.254
  708    HG   SER  90           HG       SER  90  -4.707 -10.350   4.493
  709    H    PHE  91           H        PHE  91  -8.181  -6.922   3.886
  710    HA   PHE  91           HA       PHE  91  -8.449  -4.943   6.016
  711   1HB   PHE  91          2HB       PHE  91  -9.731  -5.337   3.347
  712   2HB   PHE  91          1HB       PHE  91 -10.589  -4.419   4.581
  713    HD1  PHE  91           HD1      PHE  91  -7.560  -4.555   2.507
  714    HD2  PHE  91           HD2      PHE  91  -9.907  -2.242   5.195
  715    HE1  PHE  91           HE1      PHE  91  -6.238  -2.565   1.933
  716    HE2  PHE  91           HE2      PHE  91  -8.590  -0.236   4.625
  717    HZ   PHE  91           HZ       PHE  91  -6.752  -0.398   2.992
  718    H    ASN  92           H        ASN  92  -9.967  -5.012   7.560
  719    HA   ASN  92           HA       ASN  92 -11.520  -7.484   7.777
  720   1HB   ASN  92          2HB       ASN  92 -10.050  -6.815   9.676
  721   2HB   ASN  92          1HB       ASN  92 -11.018  -5.357   9.872
  722   1HD2  ASN  92          1HD2      ASN  92 -11.237  -8.881   9.826
  723   2HD2  ASN  92          2HD2      ASN  92 -12.524  -8.993  10.972
  724    H    ASN  93           H        ASN  93 -12.037  -4.737   6.287
  725    HA   ASN  93           HA       ASN  93 -14.875  -4.817   6.735
  726   1HB   ASN  93          2HB       ASN  93 -13.934  -3.208   8.458
  727   2HB   ASN  93          1HB       ASN  93 -13.481  -2.172   7.108
  728   1HD2  ASN  93          1HD2      ASN  93 -15.114  -1.148   8.953
  729   2HD2  ASN  93          2HD2      ASN  93 -16.726  -1.005   8.348
  730    H    ARG  94           H        ARG  94 -15.803  -4.744   4.813
  731    HA   ARG  94           HA       ARG  94 -14.389  -4.127   2.452
  732   1HB   ARG  94          2HB       ARG  94 -16.499  -4.443   1.299
  733   2HB   ARG  94          1HB       ARG  94 -16.305  -5.683   2.530
  734   1HG   ARG  94          2HG       ARG  94 -17.768  -4.343   4.027
  735   2HG   ARG  94          1HG       ARG  94 -18.045  -3.233   2.683
  736   1HD   ARG  94          2HD       ARG  94 -18.899  -5.153   1.353
  737   2HD   ARG  94          1HD       ARG  94 -18.742  -6.165   2.788
  738    HE   ARG  94           HE       ARG  94 -20.814  -4.269   2.231
  739   1HH1  ARG  94          1HH1      ARG  94 -19.046  -5.860   4.784
  740   2HH1  ARG  94          2HH1      ARG  94 -20.315  -5.678   5.947
  741   1HH2  ARG  94          1HH2      ARG  94 -22.485  -4.029   3.759
  742   2HH2  ARG  94          2HH2      ARG  94 -22.267  -4.638   5.366
  743    H    THR  95           H        THR  95 -16.313  -2.207   4.612
  744    HA   THR  95           HA       THR  95 -16.739  -0.057   2.802
  745    HB   THR  95           HB       THR  95 -17.354  -0.690   5.593
  746    HG1  THR  95           HG1      THR  95 -18.857  -0.576   3.816
  747   1HG2  THR  95          1HG2      THR  95 -16.187   1.230   6.235
  748   2HG2  THR  95          2HG2      THR  95 -17.878   1.716   6.124
  749   3HG2  THR  95          3HG2      THR  95 -16.751   2.142   4.835
  750    H    VAL  96           H        VAL  96 -14.536  -0.700   5.446
  751    HA   VAL  96           HA       VAL  96 -13.115   1.737   5.259
  752    HB   VAL  96           HB       VAL  96 -12.134  -0.881   6.398
  753   1HG1  VAL  96          1HG1      VAL  96 -10.302   0.177   7.121
  754   2HG1  VAL  96          2HG1      VAL  96 -11.211   1.606   7.611
  755   3HG1  VAL  96          3HG1      VAL  96 -10.706   1.416   5.933
  756   1HG2  VAL  96          1HG2      VAL  96 -13.340  -0.550   8.260
  757   2HG2  VAL  96          2HG2      VAL  96 -14.335   0.491   7.242
  758   3HG2  VAL  96          3HG2      VAL  96 -13.064   1.192   8.245
  759    H    MET  97           H        MET  97 -12.826  -1.364   3.713
  760    HA   MET  97           HA       MET  97 -10.241  -0.869   2.591
  761   1HB   MET  97          2HB       MET  97 -10.369  -2.975   1.695
  762   2HB   MET  97          1HB       MET  97 -11.544  -3.133   2.991
  763   1HG   MET  97          2HG       MET  97 -12.765  -4.026   1.318
  764   2HG   MET  97          1HG       MET  97 -13.194  -2.337   1.072
  765   1HE   MET  97          1HE       MET  97 -11.772  -5.075  -2.014
  766   2HE   MET  97          2HE       MET  97 -12.787  -5.274  -0.587
  767   3HE   MET  97          3HE       MET  97 -11.033  -5.398  -0.445
  768    H    ASP  98           H        ASP  98 -13.550  -0.334   1.580
  769    HA   ASP  98           HA       ASP  98 -12.905   0.300  -1.118
  770   1HB   ASP  98          2HB       ASP  98 -15.366   0.784   0.553
  771   2HB   ASP  98          1HB       ASP  98 -15.249   1.265  -1.137
  772    H    ASN  99           H        ASN  99 -13.076   2.051   1.859
  773    HA   ASN  99           HA       ASN  99 -13.158   4.654   0.735
  774   1HB   ASN  99          2HB       ASN  99 -12.294   3.705   3.468
  775   2HB   ASN  99          1HB       ASN  99 -12.478   5.398   3.021
  776   1HD2  ASN  99          1HD2      ASN  99 -13.870   4.247   5.113
  777   2HD2  ASN  99          2HD2      ASN  99 -15.550   4.204   4.714
  778    H    ILE 100           H        ILE 100 -10.639   2.426   1.566
  779    HA   ILE 100           HA       ILE 100  -8.519   4.365   1.173
  780    HB   ILE 100           HB       ILE 100  -8.347   1.380   1.609
  781   1HG1  ILE 100          2HG1      ILE 100  -9.393   2.678   3.481
  782   2HG1  ILE 100          1HG1      ILE 100  -7.896   1.865   3.920
  783   1HG2  ILE 100          1HG2      ILE 100  -6.231   3.522   1.704
  784   2HG2  ILE 100          2HG2      ILE 100  -6.359   2.207   0.535
  785   3HG2  ILE 100          3HG2      ILE 100  -6.002   1.853   2.226
  786   1HD1  ILE 100          1HD1      ILE 100  -8.282   4.269   4.722
  787   2HD1  ILE 100          2HD1      ILE 100  -7.890   4.729   3.065
  788   3HD1  ILE 100          3HD1      ILE 100  -6.710   3.853   4.040
  789    H    LYS 101           H        LYS 101  -9.779   1.478  -0.453
  790    HA   LYS 101           HA       LYS 101  -7.934   1.316  -2.527
  791   1HB   LYS 101          2HB       LYS 101  -9.603  -0.423  -2.034
  792   2HB   LYS 101          1HB       LYS 101 -10.879   0.640  -2.612
  793   1HG   LYS 101          2HG       LYS 101 -10.044   0.554  -4.843
  794   2HG   LYS 101          1HG       LYS 101  -8.586  -0.291  -4.321
  795   1HD   LYS 101          2HD       LYS 101  -9.868  -2.025  -5.147
  796   2HD   LYS 101          1HD       LYS 101 -10.267  -2.069  -3.428
  797   1HE   LYS 101          2HE       LYS 101 -12.228  -2.258  -4.973
  798   2HE   LYS 101          1HE       LYS 101 -12.332  -0.949  -3.795
  799   1HZ   LYS 101          1HZ       LYS 101 -12.064   0.639  -5.398
  800   2HZ   LYS 101          2HZ       LYS 101 -12.894  -0.533  -6.290
  801   3HZ   LYS 101          3HZ       LYS 101 -11.218  -0.381  -6.450
  802    H    MET 102           H        MET 102 -10.890   3.246  -2.276
  803    HA   MET 102           HA       MET 102 -10.715   4.240  -4.946
  804   1HB   MET 102          2HB       MET 102 -12.318   5.165  -2.565
  805   2HB   MET 102          1HB       MET 102 -12.467   5.862  -4.173
  806   1HG   MET 102          2HG       MET 102 -13.078   3.602  -5.019
  807   2HG   MET 102          1HG       MET 102 -13.092   3.038  -3.349
  808   1HE   MET 102          1HE       MET 102 -14.019   4.683  -1.636
  809   2HE   MET 102          2HE       MET 102 -15.734   4.280  -1.578
  810   3HE   MET 102          3HE       MET 102 -15.227   5.924  -1.963
  811    H    THR 103           H        THR 103  -9.788   5.453  -1.794
  812    HA   THR 103           HA       THR 103  -8.982   8.007  -2.743
  813    HB   THR 103           HB       THR 103  -9.585   7.240  -0.317
  814    HG1  THR 103           HG1      THR 103  -7.415   9.007  -0.759
  815   1HG2  THR 103          1HG2      THR 103  -8.066   6.299   1.008
  816   2HG2  THR 103          2HG2      THR 103  -6.742   7.236   0.317
  817   3HG2  THR 103          3HG2      THR 103  -7.299   5.771  -0.489
  818    H    LEU 104           H        LEU 104  -7.446   4.906  -2.441
  819    HA   LEU 104           HA       LEU 104  -4.768   5.847  -2.754
  820   1HB   LEU 104          2HB       LEU 104  -6.089   3.159  -2.965
  821   2HB   LEU 104          1HB       LEU 104  -4.413   3.371  -3.437
  822    HG   LEU 104           HG       LEU 104  -5.569   3.867  -0.693
  823   1HD1  LEU 104          1HD1      LEU 104  -3.782   1.723  -1.820
  824   2HD1  LEU 104          2HD1      LEU 104  -5.369   1.531  -1.075
  825   3HD1  LEU 104          3HD1      LEU 104  -3.987   2.014  -0.093
  826   1HD2  LEU 104          1HD2      LEU 104  -3.853   5.473  -1.020
  827   2HD2  LEU 104          2HD2      LEU 104  -2.804   4.291  -1.801
  828   3HD2  LEU 104          3HD2      LEU 104  -3.147   4.161  -0.076
  829    H    GLN 105           H        GLN 105  -7.343   4.845  -4.912
  830    HA   GLN 105           HA       GLN 105  -5.768   4.615  -7.248
  831   1HB   GLN 105          2HB       GLN 105  -8.704   5.025  -6.766
  832   2HB   GLN 105          1HB       GLN 105  -8.045   5.026  -8.396
  833   1HG   GLN 105          2HG       GLN 105  -7.214   2.773  -8.094
  834   2HG   GLN 105          1HG       GLN 105  -7.779   2.767  -6.425
  835   1HE2  GLN 105          1HE2      GLN 105  -8.643   2.444  -9.739
  836   2HE2  GLN 105          2HE2      GLN 105 -10.293   1.989  -9.491
  837    H    GLN 106           H        GLN 106  -7.303   7.292  -5.648
  838    HA   GLN 106           HA       GLN 106  -7.121   9.149  -7.770
  839   1HB   GLN 106          2HB       GLN 106  -7.190   9.593  -4.779
  840   2HB   GLN 106          1HB       GLN 106  -7.342  10.873  -5.975
  841   1HG   GLN 106          2HG       GLN 106  -9.379   9.858  -6.828
  842   2HG   GLN 106          1HG       GLN 106  -9.220   8.539  -5.669
  843   1HE2  GLN 106          1HE2      GLN 106 -11.486  10.122  -5.821
  844   2HE2  GLN 106          2HE2      GLN 106 -11.615  11.063  -4.378
  845    H    ILE 107           H        ILE 107  -4.937   8.281  -5.132
  846    HA   ILE 107           HA       ILE 107  -2.997  10.254  -5.531
  847    HB   ILE 107           HB       ILE 107  -2.641   7.404  -4.589
  848   1HG1  ILE 107          2HG1      ILE 107  -2.770   9.923  -2.931
  849   2HG1  ILE 107          1HG1      ILE 107  -4.199   8.962  -3.305
  850   1HG2  ILE 107          1HG2      ILE 107  -0.700   9.169  -3.499
  851   2HG2  ILE 107          2HG2      ILE 107  -0.690   9.348  -5.253
  852   3HG2  ILE 107          3HG2      ILE 107  -0.456   7.758  -4.527
  853   1HD1  ILE 107          1HD1      ILE 107  -3.744   7.845  -1.444
  854   2HD1  ILE 107          2HD1      ILE 107  -2.118   8.523  -1.337
  855   3HD1  ILE 107          3HD1      ILE 107  -2.418   7.103  -2.339
  856    H    ILE 108           H        ILE 108  -3.411   7.069  -6.992
  857    HA   ILE 108           HA       ILE 108  -1.112   6.875  -8.529
  858    HB   ILE 108           HB       ILE 108  -3.798   6.080  -9.605
  859   1HG1  ILE 108          2HG1      ILE 108  -3.963   5.251  -7.416
  860   2HG1  ILE 108          1HG1      ILE 108  -3.387   3.884  -8.362
  861   1HG2  ILE 108          1HG2      ILE 108  -2.345   4.074 -10.308
  862   2HG2  ILE 108          2HG2      ILE 108  -0.987   5.141  -9.952
  863   3HG2  ILE 108          3HG2      ILE 108  -2.177   5.605 -11.168
  864   1HD1  ILE 108          1HD1      ILE 108  -2.214   5.145  -6.082
  865   2HD1  ILE 108          2HD1      ILE 108  -1.098   5.200  -7.446
  866   3HD1  ILE 108          3HD1      ILE 108  -1.749   3.653  -6.899
  867    H    SER 109           H        SER 109  -4.221   8.202  -9.393
  868    HA   SER 109           HA       SER 109  -3.622   9.105 -11.954
  869   1HB   SER 109          2HB       SER 109  -5.915   8.986 -10.990
  870   2HB   SER 109          1HB       SER 109  -5.540  10.407 -10.013
  871    HG   SER 109           HG       SER 109  -6.617  10.994 -11.925
  872    H    ARG 110           H        ARG 110  -2.937  10.529  -8.865
  873    HA   ARG 110           HA       ARG 110  -2.268  13.106  -9.850
  874   1HB   ARG 110          2HB       ARG 110  -1.619  11.725  -7.251
  875   2HB   ARG 110          1HB       ARG 110  -1.174  13.390  -7.599
  876   1HG   ARG 110          2HG       ARG 110  -3.613  13.853  -7.982
  877   2HG   ARG 110          1HG       ARG 110  -3.940  12.239  -7.349
  878   1HD   ARG 110          2HD       ARG 110  -2.860  12.829  -5.247
  879   2HD   ARG 110          1HD       ARG 110  -2.475  14.429  -5.880
  880    HE   ARG 110           HE       ARG 110  -4.639  15.081  -5.481
  881   1HH1  ARG 110          1HH1      ARG 110  -4.426  11.606  -5.230
  882   2HH1  ARG 110          2HH1      ARG 110  -6.023  11.429  -4.584
  883   1HH2  ARG 110          1HH2      ARG 110  -6.739  14.850  -4.633
  884   2HH2  ARG 110          2HH2      ARG 110  -7.337  13.271  -4.246
  885    H    TYR 111           H        TYR 111  -0.517  10.149  -9.318
  886    HA   TYR 111           HA       TYR 111   2.080  11.274  -9.649
  887   1HB   TYR 111          2HB       TYR 111   0.963   8.507  -9.550
  888   2HB   TYR 111          1HB       TYR 111   2.585   8.736 -10.198
  889    HD1  TYR 111           HD1      TYR 111   4.346   9.770  -8.746
  890    HD2  TYR 111           HD2      TYR 111   0.551   8.601  -7.220
  891    HE1  TYR 111           HE1      TYR 111   5.256   9.822  -6.462
  892    HE2  TYR 111           HE2      TYR 111   1.451   8.649  -4.931
  893    HH   TYR 111           HH       TYR 111   4.505  10.016  -4.185
  894    H    LYS 112           H        LYS 112  -0.365  10.078 -11.782
  895    HA   LYS 112           HA       LYS 112   1.274   9.744 -14.074
  896   1HB   LYS 112          2HB       LYS 112  -1.705  10.157 -13.797
  897   2HB   LYS 112          1HB       LYS 112  -0.900   9.774 -15.313
  898   1HG   LYS 112          2HG       LYS 112  -0.067   7.678 -14.274
  899   2HG   LYS 112          1HG       LYS 112  -1.034   8.054 -12.847
  900   1HD   LYS 112          2HD       LYS 112  -2.569   8.226 -15.313
  901   2HD   LYS 112          1HD       LYS 112  -1.869   6.626 -15.063
  902   1HE   LYS 112          2HE       LYS 112  -2.814   7.182 -12.579
  903   2HE   LYS 112          1HE       LYS 112  -3.997   8.014 -13.587
  904   1HZ   LYS 112          1HZ       LYS 112  -4.474   5.616 -13.021
  905   2HZ   LYS 112          2HZ       LYS 112  -3.219   5.202 -14.077
  906   3HZ   LYS 112          3HZ       LYS 112  -4.575   6.030 -14.659
  907    H    ASP 113           H        ASP 113  -0.664  12.395 -12.786
  908    HA   ASP 113           HA       ASP 113  -0.519  14.128 -14.977
  909   1HB   ASP 113          2HB       ASP 113  -1.982  14.419 -12.960
  910   2HB   ASP 113          1HB       ASP 113  -0.557  14.934 -12.063
  911    H    ALA 114           H        ALA 114   1.743  13.523 -12.352
  912    HA   ALA 114           HA       ALA 114   3.464  15.694 -12.766
  913   1HB   ALA 114          1HB       ALA 114   5.192  14.100 -11.719
  914   2HB   ALA 114          2HB       ALA 114   3.843  12.976 -11.564
  915   3HB   ALA 114          3HB       ALA 114   3.779  14.546 -10.765
  916    H    ASP 115           H        ASP 115   3.191  12.603 -14.386
  917    HA   ASP 115           HA       ASP 115   5.378  13.413 -16.190
  918   1HB   ASP 115          2HB       ASP 115   4.546  10.633 -15.336
  919   2HB   ASP 115          1HB       ASP 115   5.698  10.964 -16.626
  Start of MODEL   12
    1    HT1  PRO   1           HT2      PRO   1 -12.865  11.740   6.804
    2    HT2  PRO   1           HT1      PRO   1 -13.360  10.157   6.400
    3    HA   PRO   1           HA       PRO   1 -10.842  11.106   6.987
    4   1HB   PRO   1          2HB       PRO   1 -11.280   8.817   8.780
    5   2HB   PRO   1          1HB       PRO   1 -10.357  10.301   9.048
    6   1HG   PRO   1          2HG       PRO   1 -12.760   9.844  10.225
    7   2HG   PRO   1          1HG       PRO   1 -12.187  11.465   9.805
    8   1HD   PRO   1          2HD       PRO   1 -14.219   9.755   8.435
    9   2HD   PRO   1          1HD       PRO   1 -14.169  11.520   8.620
   10    H    SER   2           H        SER   2 -12.163  10.017   4.803
   11    HA   SER   2           HA       SER   2 -11.928   7.250   4.469
   12   1HB   SER   2          2HB       SER   2 -11.637   9.385   2.341
   13   2HB   SER   2          1HB       SER   2 -12.044   7.689   2.072
   14    HG   SER   2           HG       SER   2 -13.594   9.710   3.289
   15    H    HIS   3           H        HIS   3  -9.571   9.826   4.135
   16    HA   HIS   3           HA       HIS   3  -7.567   8.436   2.775
   17   1HB   HIS   3          2HB       HIS   3  -7.506  10.739   4.704
   18   2HB   HIS   3          1HB       HIS   3  -6.020  10.077   4.034
   19    HD1  HIS   3           HD1      HIS   3  -9.153  11.894   3.011
   20    HD2  HIS   3           HD2      HIS   3  -5.474  10.799   1.422
   21    HE1  HIS   3           HE1      HIS   3  -8.972  13.126   0.827
   22    HE2  HIS   3           HE2      HIS   3  -6.774  12.381  -0.157
   23    H    SER   4           H        SER   4  -8.626   8.233   6.049
   24    HA   SER   4           HA       SER   4  -6.395   6.400   6.645
   25   1HB   SER   4          2HB       SER   4  -6.706   6.992   9.031
   26   2HB   SER   4          1HB       SER   4  -6.268   8.390   8.050
   27    HG   SER   4           HG       SER   4  -8.238   8.317   9.653
   28    H    GLY   5           H        GLY   5  -6.898   4.369   7.102
   29   1HA   GLY   5          2HA       GLY   5  -9.452   3.670   8.283
   30   2HA   GLY   5          1HA       GLY   5  -9.219   3.101   6.635
   31    H    ALA   6           H        ALA   6  -9.471   1.635   9.227
   32    HA   ALA   6           HA       ALA   6  -6.980   0.585   9.980
   33   1HB   ALA   6          1HB       ALA   6  -8.925   0.319  11.388
   34   2HB   ALA   6          2HB       ALA   6  -8.241  -1.257  10.984
   35   3HB   ALA   6          3HB       ALA   6  -9.699  -0.691  10.166
   36    H    ALA   7           H        ALA   7  -5.783  -1.092   9.293
   37    HA   ALA   7           HA       ALA   7  -6.764  -2.927   7.299
   38   1HB   ALA   7          1HB       ALA   7  -6.130  -1.062   5.894
   39   2HB   ALA   7          2HB       ALA   7  -5.010  -2.403   5.653
   40   3HB   ALA   7          3HB       ALA   7  -4.531  -1.020   6.637
   41    H    ILE   8           H        ILE   8  -5.497  -4.800   7.063
   42    HA   ILE   8           HA       ILE   8  -3.554  -5.196   9.215
   43    HB   ILE   8           HB       ILE   8  -4.704  -7.260   7.346
   44   1HG1  ILE   8          2HG1      ILE   8  -5.610  -6.760  10.170
   45   2HG1  ILE   8          1HG1      ILE   8  -6.396  -6.006   8.782
   46   1HG2  ILE   8          1HG2      ILE   8  -3.716  -8.877   8.611
   47   2HG2  ILE   8          2HG2      ILE   8  -3.712  -7.890  10.072
   48   3HG2  ILE   8          3HG2      ILE   8  -2.528  -7.590   8.804
   49   1HD1  ILE   8          1HD1      ILE   8  -5.982  -8.950   8.836
   50   2HD1  ILE   8          2HD1      ILE   8  -7.202  -7.995   7.989
   51   3HD1  ILE   8          3HD1      ILE   8  -7.318  -8.224   9.736
   52    H    PHE   9           H        PHE   9  -1.489  -5.861   8.888
   53    HA   PHE   9           HA       PHE   9  -0.544  -6.344   6.178
   54   1HB   PHE   9          2HB       PHE   9  -0.250  -3.931   6.457
   55   2HB   PHE   9          1HB       PHE   9   0.638  -4.198   7.950
   56    HD1  PHE   9           HD1      PHE   9   2.882  -3.839   7.747
   57    HD2  PHE   9           HD2      PHE   9   0.777  -5.563   4.479
   58    HE1  PHE   9           HE1      PHE   9   4.985  -3.977   6.474
   59    HE2  PHE   9           HE2      PHE   9   2.874  -5.705   3.197
   60    HZ   PHE   9           HZ       PHE   9   4.982  -4.911   4.195
   61    H    GLU  10           H        GLU  10   0.236  -8.318   6.456
   62    HA   GLU  10           HA       GLU  10   1.719  -9.940   7.051
   63   1HB   GLU  10          2HB       GLU  10   2.802  -8.040   9.127
   64   2HB   GLU  10          1HB       GLU  10   3.573  -9.492   8.512
   65   1HG   GLU  10          2HG       GLU  10   3.701  -8.434   6.284
   66   2HG   GLU  10          1HG       GLU  10   3.031  -6.960   6.981
   67    H    LYS  11           H        LYS  11  -0.799 -10.124   7.949
   68    HA   LYS  11           HA       LYS  11  -2.116 -11.199   9.416
   69   1HB   LYS  11          2HB       LYS  11   0.610 -12.108  10.140
   70   2HB   LYS  11          1HB       LYS  11  -0.729 -12.563  11.187
   71   1HG   LYS  11          2HG       LYS  11  -0.961 -12.987   8.251
   72   2HG   LYS  11          1HG       LYS  11   0.019 -14.102   9.209
   73   1HD   LYS  11          2HD       LYS  11  -1.957 -14.423  10.708
   74   2HD   LYS  11          1HD       LYS  11  -2.906 -13.464   9.571
   75   1HE   LYS  11          2HE       LYS  11  -3.369 -15.461   8.647
   76   2HE   LYS  11          1HE       LYS  11  -1.787 -15.264   7.894
   77   1HZ   LYS  11          1HZ       LYS  11  -1.680 -17.364   8.816
   78   2HZ   LYS  11          2HZ       LYS  11  -2.536 -16.928  10.208
   79   3HZ   LYS  11          3HZ       LYS  11  -0.935 -16.420  10.007
   80    H    VAL  12           H        VAL  12  -0.752  -8.454  10.152
   81    HA   VAL  12           HA       VAL  12  -1.763  -8.475  12.890
   82    HB   VAL  12           HB       VAL  12   0.547  -6.833  11.849
   83   1HG1  VAL  12          1HG1      VAL  12   0.746  -5.926  14.071
   84   2HG1  VAL  12          2HG1      VAL  12  -0.590  -6.928  14.639
   85   3HG1  VAL  12          3HG1      VAL  12  -0.889  -5.634  13.477
   86   1HG2  VAL  12          1HG2      VAL  12   1.615  -8.782  12.274
   87   2HG2  VAL  12          2HG2      VAL  12   0.363  -9.352  13.378
   88   3HG2  VAL  12          3HG2      VAL  12   1.559  -8.179  13.931
   89    H    SER  13           H        SER  13  -3.194  -6.848  13.393
   90    HA   SER  13           HA       SER  13  -4.026  -5.208  11.111
   91   1HB   SER  13          2HB       SER  13  -5.723  -6.680  12.166
   92   2HB   SER  13          1HB       SER  13  -5.525  -5.793  13.677
   93    HG   SER  13           HG       SER  13  -6.412  -4.727  11.199
   94    H    GLY  14           H        GLY  14  -4.320  -3.047  11.214
   95   1HA   GLY  14          2HA       GLY  14  -3.924  -1.527  13.613
   96   2HA   GLY  14          1HA       GLY  14  -2.540  -1.456  12.527
   97    H    ILE  15           H        ILE  15  -3.507   0.911  12.871
   98    HA   ILE  15           HA       ILE  15  -5.626   1.430  10.945
   99    HB   ILE  15           HB       ILE  15  -4.207   3.254  12.880
  100   1HG1  ILE  15          2HG1      ILE  15  -6.377   1.436  13.119
  101   2HG1  ILE  15          1HG1      ILE  15  -5.762   2.556  14.331
  102   1HG2  ILE  15          1HG2      ILE  15  -5.931   4.934  12.227
  103   2HG2  ILE  15          2HG2      ILE  15  -6.383   3.880  10.887
  104   3HG2  ILE  15          3HG2      ILE  15  -4.762   4.572  10.956
  105   1HD1  ILE  15          1HD1      ILE  15  -8.101   2.915  14.091
  106   2HD1  ILE  15          2HD1      ILE  15  -7.958   3.045  12.337
  107   3HD1  ILE  15          3HD1      ILE  15  -7.270   4.295  13.374
  108    H    ILE  16           H        ILE  16  -5.299   2.080   8.960
  109    HA   ILE  16           HA       ILE  16  -2.579   2.770   8.121
  110    HB   ILE  16           HB       ILE  16  -4.799   1.280   6.935
  111   1HG1  ILE  16          2HG1      ILE  16  -1.828   1.485   6.438
  112   2HG1  ILE  16          1HG1      ILE  16  -2.695   0.233   7.315
  113   1HG2  ILE  16          1HG2      ILE  16  -5.153   3.179   5.526
  114   2HG2  ILE  16          2HG2      ILE  16  -4.279   1.975   4.581
  115   3HG2  ILE  16          3HG2      ILE  16  -3.423   3.366   5.243
  116   1HD1  ILE  16          1HD1      ILE  16  -3.749   0.332   4.691
  117   2HD1  ILE  16          2HD1      ILE  16  -2.838  -0.962   5.470
  118   3HD1  ILE  16          3HD1      ILE  16  -1.989   0.303   4.581
  119    H    ALA  17           H        ALA  17  -2.117   4.832   7.761
  120    HA   ALA  17           HA       ALA  17  -4.310   6.676   7.068
  121   1HB   ALA  17          1HB       ALA  17  -1.766   7.238   8.588
  122   2HB   ALA  17          2HB       ALA  17  -3.403   7.197   9.244
  123   3HB   ALA  17          3HB       ALA  17  -2.941   8.458   8.099
  124    H    ILE  18           H        ILE  18  -4.015   8.129   5.397
  125    HA   ILE  18           HA       ILE  18  -1.738   7.541   3.647
  126    HB   ILE  18           HB       ILE  18  -4.560   8.229   3.184
  127   1HG1  ILE  18          2HG1      ILE  18  -2.520   6.953   1.359
  128   2HG1  ILE  18          1HG1      ILE  18  -3.388   6.072   2.613
  129   1HG2  ILE  18          1HG2      ILE  18  -2.397   9.548   1.568
  130   2HG2  ILE  18          2HG2      ILE  18  -3.785  10.294   2.360
  131   3HG2  ILE  18          3HG2      ILE  18  -4.023   9.270   0.944
  132   1HD1  ILE  18          1HD1      ILE  18  -4.781   5.614   0.912
  133   2HD1  ILE  18          2HD1      ILE  18  -4.307   7.045  -0.006
  134   3HD1  ILE  18          3HD1      ILE  18  -5.457   7.189   1.325
  135    H    ASN  19           H        ASN  19  -0.106   8.923   3.727
  136    HA   ASN  19           HA       ASN  19  -0.640  11.717   4.466
  137   1HB   ASN  19          2HB       ASN  19   1.840  10.011   4.665
  138   2HB   ASN  19          1HB       ASN  19   1.884  11.762   4.852
  139   1HD2  ASN  19          1HD2      ASN  19  -0.247  12.368   6.303
  140   2HD2  ASN  19          2HD2      ASN  19  -0.211  11.583   7.842
  141    H    GLU  20           H        GLU  20  -0.885  12.974   2.751
  142    HA   GLU  20           HA       GLU  20   0.837  12.520   0.409
  143   1HB   GLU  20          2HB       GLU  20  -1.794  14.002   0.576
  144   2HB   GLU  20          1HB       GLU  20  -0.847  13.752  -0.885
  145   1HG   GLU  20          2HG       GLU  20  -1.158  11.325  -0.647
  146   2HG   GLU  20          1HG       GLU  20  -2.157  11.612   0.776
  147    H    ASP  21           H        ASP  21   0.530  14.467   3.076
  148    HA   ASP  21           HA       ASP  21   1.000  17.040   2.070
  149   1HB   ASP  21          2HB       ASP  21   1.739  15.789   4.717
  150   2HB   ASP  21          1HB       ASP  21   1.915  17.505   4.362
  151    H    VAL  22           H        VAL  22   3.054  14.303   2.272
  152    HA   VAL  22           HA       VAL  22   5.446  15.931   2.057
  153    HB   VAL  22           HB       VAL  22   5.171  13.756   3.492
  154   1HG1  VAL  22          1HG1      VAL  22   4.658  12.556   1.178
  155   2HG1  VAL  22          2HG1      VAL  22   5.428  11.729   2.531
  156   3HG1  VAL  22          3HG1      VAL  22   6.410  12.361   1.208
  157   1HG2  VAL  22          1HG2      VAL  22   7.758  13.517   2.252
  158   2HG2  VAL  22          2HG2      VAL  22   7.331  14.077   3.869
  159   3HG2  VAL  22          3HG2      VAL  22   7.327  15.207   2.515
  160    H    SER  23           H        SER  23   6.993  14.149   0.523
  161    HA   SER  23           HA       SER  23   5.740  13.603  -1.974
  162   1HB   SER  23          2HB       SER  23   7.485  15.352  -3.064
  163   2HB   SER  23          1HB       SER  23   5.804  15.752  -2.712
  164    HG   SER  23           HG       SER  23   6.413  16.895  -0.989
  165    HA   PRO  24           HA       PRO  24   5.853  12.144  -3.277
  166   1HB   PRO  24          2HB       PRO  24   6.044   9.451  -3.272
  167   2HB   PRO  24          1HB       PRO  24   6.869  10.456  -4.469
  168   1HG   PRO  24          2HG       PRO  24   7.957   9.198  -1.978
  169   2HG   PRO  24          1HG       PRO  24   8.679   9.281  -3.596
  170   1HD   PRO  24          2HD       PRO  24   9.387  10.954  -1.577
  171   2HD   PRO  24          1HD       PRO  24   9.435  11.432  -3.285
  172    H    ALA  25           H        ALA  25   3.875  11.393  -2.502
  173    HA   ALA  25           HA       ALA  25   3.380  11.532   0.230
  174   1HB   ALA  25          1HB       ALA  25   1.662  11.808  -1.513
  175   2HB   ALA  25          2HB       ALA  25   1.169  10.661  -0.267
  176   3HB   ALA  25          3HB       ALA  25   1.725  10.075  -1.834
  177    H    GLU  26           H        GLU  26   2.421   9.744   1.597
  178    HA   GLU  26           HA       GLU  26   3.372   7.067   1.018
  179   1HB   GLU  26          2HB       GLU  26   4.408   8.615   3.398
  180   2HB   GLU  26          1HB       GLU  26   4.646   6.893   3.134
  181   1HG   GLU  26          2HG       GLU  26   5.863   7.410   1.056
  182   2HG   GLU  26          1HG       GLU  26   5.679   9.128   1.403
  183    H    LEU  27           H        LEU  27   2.419   5.461   2.281
  184    HA   LEU  27           HA       LEU  27   0.100   6.369   3.850
  185   1HB   LEU  27          2HB       LEU  27  -0.381   5.017   1.831
  186   2HB   LEU  27          1HB       LEU  27   0.565   3.705   2.506
  187    HG   LEU  27           HG       LEU  27  -1.784   4.788   4.017
  188   1HD1  LEU  27          1HD1      LEU  27  -3.137   2.993   2.928
  189   2HD1  LEU  27          2HD1      LEU  27  -1.844   2.818   1.740
  190   3HD1  LEU  27          3HD1      LEU  27  -2.723   4.341   1.870
  191   1HD2  LEU  27          1HD2      LEU  27  -0.176   2.263   3.964
  192   2HD2  LEU  27          2HD2      LEU  27  -1.815   2.274   4.613
  193   3HD2  LEU  27          3HD2      LEU  27  -0.578   3.304   5.330
  194    H    THR  28           H        THR  28   0.378   6.247   5.983
  195    HA   THR  28           HA       THR  28   2.395   4.558   7.128
  196    HB   THR  28           HB       THR  28   0.619   6.048   8.904
  197    HG1  THR  28           HG1      THR  28   2.080   7.451   6.928
  198   1HG2  THR  28          1HG2      THR  28   2.840   5.238   9.558
  199   2HG2  THR  28          2HG2      THR  28   2.666   6.984   9.735
  200   3HG2  THR  28          3HG2      THR  28   3.548   6.318   8.361
  201    H    TRP  29           H        TRP  29   2.040   2.962   8.657
  202    HA   TRP  29           HA       TRP  29  -0.710   2.050   9.064
  203   1HB   TRP  29          2HB       TRP  29   0.290   0.619   7.344
  204   2HB   TRP  29          1HB       TRP  29   1.663   0.293   8.400
  205    HD1  TRP  29           HD1      TRP  29  -2.154   0.089   9.000
  206    HE1  TRP  29           HE1      TRP  29  -2.687  -2.219  10.027
  207    HE3  TRP  29           HE3      TRP  29   2.564  -1.876   9.075
  208    HZ2  TRP  29           HZ2      TRP  29  -1.289  -4.532  10.766
  209    HZ3  TRP  29           HZ3      TRP  29   2.877  -4.151   9.965
  210    HH2  TRP  29           HH2      TRP  29   0.978  -5.458  10.790
  211    H    ARG  30           H        ARG  30  -1.043   2.308  11.179
  212    HA   ARG  30           HA       ARG  30   1.167   1.684  13.022
  213   1HB   ARG  30          2HB       ARG  30  -1.338   3.340  13.372
  214   2HB   ARG  30          1HB       ARG  30  -0.307   2.879  14.719
  215   1HG   ARG  30          2HG       ARG  30   1.573   4.048  13.672
  216   2HG   ARG  30          1HG       ARG  30   0.520   4.530  12.341
  217   1HD   ARG  30          2HD       ARG  30  -0.950   5.652  14.029
  218   2HD   ARG  30          1HD       ARG  30   0.284   5.313  15.242
  219    HE   ARG  30           HE       ARG  30   1.283   6.710  12.939
  220   1HH1  ARG  30          1HH1      ARG  30  -0.239   7.062  16.059
  221   2HH1  ARG  30          2HH1      ARG  30   0.317   8.685  16.287
  222   1HH2  ARG  30          1HH2      ARG  30   2.017   8.846  13.236
  223   2HH2  ARG  30          2HH2      ARG  30   1.597   9.700  14.684
  224    H    SER  31           H        SER  31   1.049  -0.104  14.276
  225    HA   SER  31           HA       SER  31  -0.930  -2.031  13.883
  226   1HB   SER  31          2HB       SER  31   0.087  -2.942  16.137
  227   2HB   SER  31          1HB       SER  31   1.048  -2.946  14.658
  228    HG   SER  31           HG       SER  31   1.099  -0.789  16.487
  229    H    THR  32           H        THR  32  -2.362  -2.955  15.537
  230    HA   THR  32           HA       THR  32  -4.190  -1.093  16.510
  231    HB   THR  32           HB       THR  32  -3.705  -4.002  16.709
  232    HG1  THR  32           HG1      THR  32  -5.971  -2.407  16.105
  233   1HG2  THR  32          1HG2      THR  32  -4.210  -3.653  18.988
  234   2HG2  THR  32          2HG2      THR  32  -5.641  -4.317  18.201
  235   3HG2  THR  32          3HG2      THR  32  -5.563  -2.597  18.589
  236    H    ASP  33           H        ASP  33  -1.435  -2.651  17.906
  237    HA   ASP  33           HA       ASP  33  -1.975  -1.903  20.604
  238   1HB   ASP  33          2HB       ASP  33   0.556  -2.874  19.278
  239   2HB   ASP  33          1HB       ASP  33   0.384  -2.626  21.013
  240    H    GLY  34           H        GLY  34  -0.241  -0.508  17.942
  241   1HA   GLY  34          2HA       GLY  34   0.349   1.723  17.653
  242   2HA   GLY  34          1HA       GLY  34  -0.090   2.029  19.328
  243    H    ASP  35           H        ASP  35   2.031  -0.586  18.519
  244    HA   ASP  35           HA       ASP  35   4.242   0.885  19.765
  245   1HB   ASP  35          2HB       ASP  35   3.718  -2.084  19.578
  246   2HB   ASP  35          1HB       ASP  35   5.196  -1.385  20.232
  247    H    LYS  36           H        LYS  36   3.193  -0.636  16.878
  248    HA   LYS  36           HA       LYS  36   5.857  -0.203  15.702
  249   1HB   LYS  36          2HB       LYS  36   4.188  -2.613  15.702
  250   2HB   LYS  36          1HB       LYS  36   4.727  -2.135  14.098
  251   1HG   LYS  36          2HG       LYS  36   7.051  -2.114  14.916
  252   2HG   LYS  36          1HG       LYS  36   6.477  -2.678  16.487
  253   1HD   LYS  36          2HD       LYS  36   5.552  -4.688  15.394
  254   2HD   LYS  36          1HD       LYS  36   6.209  -4.129  13.854
  255   1HE   LYS  36          2HE       LYS  36   8.451  -4.029  15.216
  256   2HE   LYS  36          1HE       LYS  36   7.623  -5.185  16.257
  257   1HZ   LYS  36          1HZ       LYS  36   7.616  -6.776  14.647
  258   2HZ   LYS  36          2HZ       LYS  36   9.040  -5.970  14.218
  259   3HZ   LYS  36          3HZ       LYS  36   7.611  -5.667  13.368
  260    H    VAL  37           H        VAL  37   5.898   1.061  13.956
  261    HA   VAL  37           HA       VAL  37   3.358   1.587  12.558
  262    HB   VAL  37           HB       VAL  37   5.494   3.660  13.060
  263   1HG1  VAL  37          1HG1      VAL  37   3.695   5.219  12.351
  264   2HG1  VAL  37          2HG1      VAL  37   2.702   3.822  11.937
  265   3HG1  VAL  37          3HG1      VAL  37   4.215   4.114  11.079
  266   1HG2  VAL  37          1HG2      VAL  37   3.427   4.559  14.498
  267   2HG2  VAL  37          2HG2      VAL  37   4.698   3.542  15.180
  268   3HG2  VAL  37          3HG2      VAL  37   3.166   2.824  14.683
  269    H    HIS  38           H        HIS  38   3.440   1.125  10.474
  270    HA   HIS  38           HA       HIS  38   6.077   1.022   9.162
  271   1HB   HIS  38          2HB       HIS  38   4.891  -1.121   9.195
  272   2HB   HIS  38          1HB       HIS  38   3.527  -0.377   8.377
  273    HD1  HIS  38           HD1      HIS  38   6.376  -2.369   7.670
  274    HD2  HIS  38           HD2      HIS  38   4.469   0.777   5.738
  275    HE1  HIS  38           HE1      HIS  38   7.121  -2.500   5.271
  276    HE2  HIS  38           HE2      HIS  38   5.892  -0.635   4.106
  277    H    THR  39           H        THR  39   6.420   2.016   7.255
  278    HA   THR  39           HA       THR  39   4.316   3.872   6.355
  279    HB   THR  39           HB       THR  39   7.281   4.277   5.984
  280    HG1  THR  39           HG1      THR  39   6.823   4.253   8.202
  281   1HG2  THR  39          1HG2      THR  39   6.688   6.622   5.723
  282   2HG2  THR  39          2HG2      THR  39   4.982   6.215   5.901
  283   3HG2  THR  39          3HG2      THR  39   5.891   5.618   4.512
  284    H    VAL  40           H        VAL  40   3.762   3.917   4.246
  285    HA   VAL  40           HA       VAL  40   5.187   2.067   2.445
  286    HB   VAL  40           HB       VAL  40   2.277   2.852   2.280
  287   1HG1  VAL  40          1HG1      VAL  40   3.533   2.123   0.190
  288   2HG1  VAL  40          2HG1      VAL  40   2.056   1.244   0.587
  289   3HG1  VAL  40          3HG1      VAL  40   3.630   0.530   0.943
  290   1HG2  VAL  40          1HG2      VAL  40   1.676   0.838   3.315
  291   2HG2  VAL  40          2HG2      VAL  40   2.975   1.483   4.320
  292   3HG2  VAL  40          3HG2      VAL  40   3.307   0.179   3.178
  293    H    VAL  41           H        VAL  41   5.684   2.732   0.390
  294    HA   VAL  41           HA       VAL  41   5.501   5.609  -0.090
  295    HB   VAL  41           HB       VAL  41   7.034   3.558  -1.692
  296   1HG1  VAL  41          1HG1      VAL  41   6.817   5.456  -3.022
  297   2HG1  VAL  41          2HG1      VAL  41   8.374   5.688  -2.229
  298   3HG1  VAL  41          3HG1      VAL  41   6.951   6.553  -1.648
  299   1HG2  VAL  41          1HG2      VAL  41   8.531   5.355   0.080
  300   2HG2  VAL  41          2HG2      VAL  41   8.761   3.639  -0.256
  301   3HG2  VAL  41          3HG2      VAL  41   7.546   4.153   0.915
  302    H    LEU  42           H        LEU  42   4.036   6.430  -1.419
  303    HA   LEU  42           HA       LEU  42   2.394   4.659  -3.020
  304   1HB   LEU  42          2HB       LEU  42   2.137   7.648  -2.878
  305   2HB   LEU  42          1HB       LEU  42   0.896   6.463  -3.241
  306    HG   LEU  42           HG       LEU  42   2.158   6.989  -0.551
  307   1HD1  LEU  42          1HD1      LEU  42  -0.703   7.101  -0.646
  308   2HD1  LEU  42          2HD1      LEU  42  -0.018   8.176  -1.864
  309   3HD1  LEU  42          3HD1      LEU  42   0.450   8.348  -0.173
  310   1HD2  LEU  42          1HD2      LEU  42   1.749   4.816  -0.174
  311   2HD2  LEU  42          2HD2      LEU  42   0.710   4.662  -1.589
  312   3HD2  LEU  42          3HD2      LEU  42   0.061   5.318  -0.087
  313    H    SER  43           H        SER  43   5.188   6.490  -3.524
  314    HA   SER  43           HA       SER  43   4.659   7.204  -6.262
  315   1HB   SER  43          2HB       SER  43   6.155   8.685  -5.248
  316   2HB   SER  43          1HB       SER  43   7.048   7.391  -4.450
  317    HG   SER  43           HG       SER  43   7.999   6.866  -6.378
  318    H    THR  44           H        THR  44   5.984   4.505  -4.546
  319    HA   THR  44           HA       THR  44   7.090   3.363  -6.992
  320    HB   THR  44           HB       THR  44   8.440   3.261  -4.928
  321    HG1  THR  44           HG1      THR  44   9.171   1.373  -5.500
  322   1HG2  THR  44          1HG2      THR  44   7.833   2.273  -2.993
  323   2HG2  THR  44          2HG2      THR  44   6.753   1.126  -3.786
  324   3HG2  THR  44          3HG2      THR  44   6.235   2.792  -3.527
  325    H    ILE  45           H        ILE  45   4.147   3.681  -6.319
  326    HA   ILE  45           HA       ILE  45   3.341   0.857  -6.374
  327    HB   ILE  45           HB       ILE  45   1.559   3.258  -5.978
  328   1HG1  ILE  45          2HG1      ILE  45   3.145   3.188  -4.147
  329   2HG1  ILE  45          1HG1      ILE  45   1.581   2.623  -3.571
  330   1HG2  ILE  45          1HG2      ILE  45   1.139   0.304  -5.555
  331   2HG2  ILE  45          2HG2      ILE  45   0.361   1.328  -6.762
  332   3HG2  ILE  45          3HG2      ILE  45   0.007   1.559  -5.049
  333   1HD1  ILE  45          1HD1      ILE  45   2.472   0.274  -4.005
  334   2HD1  ILE  45          2HD1      ILE  45   3.128   1.160  -2.629
  335   3HD1  ILE  45          3HD1      ILE  45   4.057   1.036  -4.123
  336    H    ASP  46           H        ASP  46   3.600   0.293  -8.492
  337    HA   ASP  46           HA       ASP  46   2.939   1.883 -10.709
  338   1HB   ASP  46          2HB       ASP  46   4.383  -0.166 -10.758
  339   2HB   ASP  46          1HB       ASP  46   2.926  -1.141 -10.586
  340    H    LYS  47           H        LYS  47   1.029  -0.213  -8.671
  341    HA   LYS  47           HA       LYS  47  -1.410   0.914  -9.576
  342   1HB   LYS  47          2HB       LYS  47  -0.525  -1.652 -10.778
  343   2HB   LYS  47          1HB       LYS  47  -2.208  -1.551 -10.277
  344   1HG   LYS  47          2HG       LYS  47  -2.098   0.722 -11.619
  345   2HG   LYS  47          1HG       LYS  47  -0.778  -0.112 -12.441
  346   1HD   LYS  47          2HD       LYS  47  -3.536  -1.272 -12.076
  347   2HD   LYS  47          1HD       LYS  47  -3.019  -0.396 -13.517
  348   1HE   LYS  47          2HE       LYS  47  -1.369  -2.679 -12.549
  349   2HE   LYS  47          1HE       LYS  47  -2.876  -3.020 -13.395
  350   1HZ   LYS  47          1HZ       LYS  47  -2.084  -2.176 -15.342
  351   2HZ   LYS  47          2HZ       LYS  47  -0.634  -2.749 -14.686
  352   3HZ   LYS  47          3HZ       LYS  47  -1.012  -1.104 -14.592
  353    H    LEU  48           H        LEU  48  -3.257   0.109  -8.416
  354    HA   LEU  48           HA       LEU  48  -2.528  -1.451  -6.025
  355   1HB   LEU  48          2HB       LEU  48  -4.231  -0.161  -4.801
  356   2HB   LEU  48          1HB       LEU  48  -2.927   0.843  -5.404
  357    HG   LEU  48           HG       LEU  48  -5.207   0.686  -7.234
  358   1HD1  LEU  48          1HD1      LEU  48  -5.653   1.269  -4.402
  359   2HD1  LEU  48          2HD1      LEU  48  -6.804   0.870  -5.676
  360   3HD1  LEU  48          3HD1      LEU  48  -6.224   2.525  -5.500
  361   1HD2  LEU  48          1HD2      LEU  48  -4.197   3.205  -6.038
  362   2HD2  LEU  48          2HD2      LEU  48  -4.623   2.833  -7.708
  363   3HD2  LEU  48          3HD2      LEU  48  -3.090   2.270  -7.041
  364    H    GLN  49           H        GLN  49  -3.604  -3.292  -5.757
  365    HA   GLN  49           HA       GLN  49  -6.073  -3.698  -7.306
  366   1HB   GLN  49          2HB       GLN  49  -4.123  -5.738  -6.220
  367   2HB   GLN  49          1HB       GLN  49  -5.587  -6.113  -7.118
  368   1HG   GLN  49          2HG       GLN  49  -4.669  -4.845  -9.040
  369   2HG   GLN  49          1HG       GLN  49  -3.170  -4.640  -8.136
  370   1HE2  GLN  49          1HE2      GLN  49  -1.672  -6.167  -8.285
  371   2HE2  GLN  49          2HE2      GLN  49  -1.896  -7.726  -8.996
  372    H    ALA  50           H        ALA  50  -7.883  -4.606  -6.342
  373    HA   ALA  50           HA       ALA  50  -7.803  -4.963  -3.427
  374   1HB   ALA  50          1HB       ALA  50  -9.524  -3.092  -4.984
  375   2HB   ALA  50          2HB       ALA  50  -8.713  -2.855  -3.436
  376   3HB   ALA  50          3HB       ALA  50 -10.169  -3.845  -3.525
  377    H    THR  51           H        THR  51  -9.582  -6.230  -2.575
  378    HA   THR  51           HA       THR  51 -10.176  -8.473  -4.219
  379    HB   THR  51           HB       THR  51 -11.782  -8.923  -2.153
  380    HG1  THR  51           HG1      THR  51 -11.680  -7.389  -0.747
  381   1HG2  THR  51          1HG2      THR  51  -9.835  -9.724  -0.823
  382   2HG2  THR  51          2HG2      THR  51  -8.780  -8.990  -2.032
  383   3HG2  THR  51          3HG2      THR  51  -9.873 -10.295  -2.491
  384    HA   PRO  52           HA       PRO  52 -13.956  -7.075  -6.046
  385   1HB   PRO  52          2HB       PRO  52 -15.041  -9.445  -6.750
  386   2HB   PRO  52          1HB       PRO  52 -13.630  -8.770  -7.574
  387   1HG   PRO  52          2HG       PRO  52 -13.755 -10.872  -5.445
  388   2HG   PRO  52          1HG       PRO  52 -12.776 -10.834  -6.923
  389   1HD   PRO  52          2HD       PRO  52 -11.791 -10.179  -4.473
  390   2HD   PRO  52          1HD       PRO  52 -11.184  -9.468  -5.981
  391    H    ALA  53           H        ALA  53 -16.235  -7.044  -5.739
  392    HA   ALA  53           HA       ALA  53 -17.065  -7.233  -3.053
  393   1HB   ALA  53          1HB       ALA  53 -18.327  -5.674  -4.099
  394   2HB   ALA  53          2HB       ALA  53 -19.413  -7.046  -4.324
  395   3HB   ALA  53          3HB       ALA  53 -18.338  -6.549  -5.631
  396    H    SER  54           H        SER  54 -16.935  -9.575  -5.552
  397    HA   SER  54           HA       SER  54 -18.969 -11.277  -4.360
  398   1HB   SER  54          2HB       SER  54 -17.175 -11.628  -6.766
  399   2HB   SER  54          1HB       SER  54 -18.334 -12.840  -6.224
  400    HG   SER  54           HG       SER  54 -18.851 -10.950  -7.861
  401    H    SER  55           H        SER  55 -15.870 -10.591  -3.585
  402    HA   SER  55           HA       SER  55 -15.200 -13.349  -2.832
  403   1HB   SER  55          2HB       SER  55 -13.549 -10.902  -3.361
  404   2HB   SER  55          1HB       SER  55 -12.915 -12.172  -2.315
  405    HG   SER  55           HG       SER  55 -12.547 -13.334  -4.018
  406    H    GLU  56           H        GLU  56 -15.822 -13.860  -0.855
  407    HA   GLU  56           HA       GLU  56 -16.587 -12.083   1.146
  408   1HB   GLU  56          2HB       GLU  56 -17.185 -14.491   1.077
  409   2HB   GLU  56          1HB       GLU  56 -15.528 -14.890   1.508
  410   1HG   GLU  56          2HG       GLU  56 -16.789 -15.036   3.490
  411   2HG   GLU  56          1HG       GLU  56 -15.860 -13.541   3.602
  412    H    LYS  57           H        LYS  57 -13.462 -13.006   0.112
  413    HA   LYS  57           HA       LYS  57 -12.161 -12.308   2.610
  414   1HB   LYS  57          2HB       LYS  57 -10.088 -12.859   1.474
  415   2HB   LYS  57          1HB       LYS  57 -11.273 -14.130   1.202
  416   1HG   LYS  57          2HG       LYS  57 -11.759 -13.144  -1.015
  417   2HG   LYS  57          1HG       LYS  57 -10.471 -11.971  -0.737
  418   1HD   LYS  57          2HD       LYS  57  -8.930 -13.953  -0.387
  419   2HD   LYS  57          1HD       LYS  57 -10.235 -14.960  -1.017
  420   1HE   LYS  57          2HE       LYS  57 -10.238 -13.425  -3.041
  421   2HE   LYS  57          1HE       LYS  57  -8.718 -12.778  -2.425
  422   1HZ   LYS  57          1HZ       LYS  57  -7.622 -14.747  -2.810
  423   2HZ   LYS  57          2HZ       LYS  57  -8.695 -14.715  -4.118
  424   3HZ   LYS  57          3HZ       LYS  57  -9.032 -15.682  -2.772
  425    H    MET  58           H        MET  58 -11.582 -10.317   3.149
  426    HA   MET  58           HA       MET  58 -11.571  -8.242   1.076
  427   1HB   MET  58          2HB       MET  58 -11.807  -8.092   4.082
  428   2HB   MET  58          1HB       MET  58 -11.631  -6.675   3.056
  429   1HG   MET  58          2HG       MET  58 -13.840  -6.634   2.923
  430   2HG   MET  58          1HG       MET  58 -13.721  -8.066   1.903
  431   1HE   MET  58          1HE       MET  58 -14.168  -6.457   5.091
  432   2HE   MET  58          2HE       MET  58 -14.211  -7.725   6.315
  433   3HE   MET  58          3HE       MET  58 -15.702  -7.204   5.532
  434    H    MET  59           H        MET  59  -9.600  -8.030   0.206
  435    HA   MET  59           HA       MET  59  -7.398  -7.301   1.951
  436   1HB   MET  59          2HB       MET  59  -7.149  -9.589  -0.009
  437   2HB   MET  59          1HB       MET  59  -5.841  -8.906   0.948
  438   1HG   MET  59          2HG       MET  59  -7.045  -9.593   2.998
  439   2HG   MET  59          1HG       MET  59  -8.257 -10.372   1.983
  440   1HE   MET  59          1HE       MET  59  -4.178 -11.418   3.228
  441   2HE   MET  59          2HE       MET  59  -4.679  -9.850   2.592
  442   3HE   MET  59          3HE       MET  59  -3.932 -11.038   1.524
  443    H    LEU  60           H        LEU  60  -6.063  -5.822   1.036
  444    HA   LEU  60           HA       LEU  60  -6.510  -5.214  -1.815
  445   1HB   LEU  60          2HB       LEU  60  -7.255  -3.517  -0.057
  446   2HB   LEU  60          1HB       LEU  60  -5.551  -3.252   0.254
  447    HG   LEU  60           HG       LEU  60  -6.634  -2.969  -2.525
  448   1HD1  LEU  60          1HD1      LEU  60  -6.409  -0.533  -0.879
  449   2HD1  LEU  60          2HD1      LEU  60  -7.800  -1.567  -0.557
  450   3HD1  LEU  60          3HD1      LEU  60  -7.534  -0.929  -2.179
  451   1HD2  LEU  60          1HD2      LEU  60  -4.378  -2.777  -2.694
  452   2HD2  LEU  60          2HD2      LEU  60  -4.188  -2.222  -1.030
  453   3HD2  LEU  60          3HD2      LEU  60  -4.752  -1.106  -2.273
  454    H    ARG  61           H        ARG  61  -4.830  -5.539  -3.103
  455    HA   ARG  61           HA       ARG  61  -2.157  -5.765  -1.908
  456   1HB   ARG  61          2HB       ARG  61  -3.056  -7.713  -3.182
  457   2HB   ARG  61          1HB       ARG  61  -3.092  -6.706  -4.623
  458   1HG   ARG  61          2HG       ARG  61  -0.671  -6.426  -4.494
  459   2HG   ARG  61          1HG       ARG  61  -0.633  -7.429  -3.042
  460   1HD   ARG  61          2HD       ARG  61  -1.612  -8.330  -5.750
  461   2HD   ARG  61          1HD       ARG  61  -0.013  -8.666  -5.089
  462    HE   ARG  61           HE       ARG  61  -0.944 -10.224  -3.654
  463   1HH1  ARG  61          1HH1      ARG  61  -3.467  -8.507  -5.356
  464   2HH1  ARG  61          2HH1      ARG  61  -4.709  -9.614  -4.881
  465   1HH2  ARG  61          1HH2      ARG  61  -2.580 -11.676  -3.033
  466   2HH2  ARG  61          2HH2      ARG  61  -4.206 -11.412  -3.564
  467    H    LEU  62           H        LEU  62  -0.399  -4.663  -2.741
  468    HA   LEU  62           HA       LEU  62  -0.977  -2.612  -4.768
  469   1HB   LEU  62          2HB       LEU  62  -0.428  -2.170  -2.024
  470   2HB   LEU  62          1HB       LEU  62   0.990  -1.654  -2.919
  471    HG   LEU  62           HG       LEU  62  -0.565  -0.265  -4.357
  472   1HD1  LEU  62          1HD1      LEU  62  -2.657  -1.342  -3.874
  473   2HD1  LEU  62          2HD1      LEU  62  -2.730   0.326  -3.304
  474   3HD1  LEU  62          3HD1      LEU  62  -2.489  -0.990  -2.154
  475   1HD2  LEU  62          1HD2      LEU  62  -0.048   0.237  -1.453
  476   2HD2  LEU  62          2HD2      LEU  62  -0.928   1.418  -2.423
  477   3HD2  LEU  62          3HD2      LEU  62   0.717   0.962  -2.867
  478    H    ILE  63           H        ILE  63   0.378  -2.708  -6.429
  479    HA   ILE  63           HA       ILE  63   2.658  -4.448  -6.370
  480    HB   ILE  63           HB       ILE  63   1.910  -2.495  -8.547
  481   1HG1  ILE  63          2HG1      ILE  63  -0.015  -3.901  -8.069
  482   2HG1  ILE  63          1HG1      ILE  63   0.716  -4.403  -9.590
  483   1HG2  ILE  63          1HG2      ILE  63   3.454  -3.490  -9.852
  484   2HG2  ILE  63          2HG2      ILE  63   3.157  -5.089  -9.170
  485   3HG2  ILE  63          3HG2      ILE  63   4.179  -3.939  -8.308
  486   1HD1  ILE  63          1HD1      ILE  63   0.302  -6.416  -8.580
  487   2HD1  ILE  63          2HD1      ILE  63   0.652  -5.802  -6.964
  488   3HD1  ILE  63          3HD1      ILE  63   1.971  -6.122  -8.090
  489    H    GLY  64           H        GLY  64   4.806  -3.938  -6.317
  490   1HA   GLY  64          2HA       GLY  64   5.436  -1.169  -5.566
  491   2HA   GLY  64          1HA       GLY  64   6.427  -2.577  -5.215
  492    H    LYS  65           H        LYS  65   4.997  -1.699  -8.322
  493    HA   LYS  65           HA       LYS  65   5.915  -1.373 -10.371
  494   1HB   LYS  65          2HB       LYS  65   7.471   0.277  -8.493
  495   2HB   LYS  65          1HB       LYS  65   8.238  -0.002 -10.053
  496   1HG   LYS  65          2HG       LYS  65   6.308   0.903 -11.196
  497   2HG   LYS  65          1HG       LYS  65   5.466   1.105  -9.658
  498   1HD   LYS  65          2HD       LYS  65   7.236   2.667  -8.931
  499   2HD   LYS  65          1HD       LYS  65   8.002   2.501 -10.513
  500   1HE   LYS  65          2HE       LYS  65   6.203   3.554 -11.609
  501   2HE   LYS  65          1HE       LYS  65   5.149   3.389 -10.206
  502   1HZ   LYS  65          1HZ       LYS  65   7.590   4.928  -9.824
  503   2HZ   LYS  65          2HZ       LYS  65   6.036   5.193  -9.213
  504   3HZ   LYS  65          3HZ       LYS  65   6.405   5.634 -10.803
  505    H    VAL  66           H        VAL  66   7.930  -1.687 -11.746
  506    HA   VAL  66           HA       VAL  66   9.187  -4.194 -10.914
  507    HB   VAL  66           HB       VAL  66   8.020  -4.174 -13.074
  508   1HG1  VAL  66          1HG1      VAL  66   9.611  -1.761 -13.461
  509   2HG1  VAL  66          2HG1      VAL  66   8.110  -2.267 -14.234
  510   3HG1  VAL  66          3HG1      VAL  66   9.656  -2.862 -14.838
  511   1HG2  VAL  66          1HG2      VAL  66  10.803  -4.901 -12.679
  512   2HG2  VAL  66          2HG2      VAL  66  10.416  -4.633 -14.378
  513   3HG2  VAL  66          3HG2      VAL  66   9.495  -5.807 -13.438
  514    H    ASP  67           H        ASP  67  10.259  -2.144  -9.549
  515    HA   ASP  67           HA       ASP  67  12.216  -1.134  -8.996
  516   1HB   ASP  67          2HB       ASP  67  13.303  -3.096 -11.023
  517   2HB   ASP  67          1HB       ASP  67  14.306  -2.121  -9.953
  518    H    GLU  68           H        GLU  68  10.626   0.143 -10.945
  519    HA   GLU  68           HA       GLU  68  10.635   1.771 -12.524
  520   1HB   GLU  68          2HB       GLU  68  12.588   2.301 -10.559
  521   2HB   GLU  68          1HB       GLU  68  13.284   2.790 -12.099
  522   1HG   GLU  68          2HG       GLU  68  11.295   4.167 -12.532
  523   2HG   GLU  68          1HG       GLU  68  10.654   3.703 -10.957
  524    H    SER  69           H        SER  69  11.238  -0.650 -13.573
  525    HA   SER  69           HA       SER  69  13.591  -0.952 -14.955
  526   1HB   SER  69          2HB       SER  69  11.773  -2.660 -14.758
  527   2HB   SER  69          1HB       SER  69  10.873  -1.772 -15.987
  528    HG   SER  69           HG       SER  69  12.846  -2.065 -17.308
  529    H    LYS  70           H        LYS  70  10.991   1.214 -15.578
  530    HA   LYS  70           HA       LYS  70  11.300   1.704 -18.304
  531   1HB   LYS  70          2HB       LYS  70  10.496   3.609 -16.101
  532   2HB   LYS  70          1HB       LYS  70  10.304   3.931 -17.819
  533   1HG   LYS  70          2HG       LYS  70   8.870   1.879 -17.947
  534   2HG   LYS  70          1HG       LYS  70   8.932   1.813 -16.184
  535   1HD   LYS  70          2HD       LYS  70   7.931   4.164 -17.789
  536   2HD   LYS  70          1HD       LYS  70   6.901   2.938 -17.043
  537   1HE   LYS  70          2HE       LYS  70   7.602   3.575 -14.855
  538   2HE   LYS  70          1HE       LYS  70   8.868   4.618 -15.501
  539   1HZ   LYS  70          1HZ       LYS  70   7.270   6.140 -16.297
  540   2HZ   LYS  70          2HZ       LYS  70   6.808   5.772 -14.713
  541   3HZ   LYS  70          3HZ       LYS  70   5.986   5.076 -16.017
  542    H    LYS  71           H        LYS  71  13.140   2.856 -15.555
  543    HA   LYS  71           HA       LYS  71  14.641   4.759 -17.132
  544   1HB   LYS  71          2HB       LYS  71  14.649   3.896 -14.265
  545   2HB   LYS  71          1HB       LYS  71  16.037   4.763 -14.906
  546   1HG   LYS  71          2HG       LYS  71  14.690   6.417 -13.968
  547   2HG   LYS  71          1HG       LYS  71  14.366   6.517 -15.700
  548   1HD   LYS  71          2HD       LYS  71  12.330   5.202 -15.400
  549   2HD   LYS  71          1HD       LYS  71  12.662   5.069 -13.672
  550   1HE   LYS  71          2HE       LYS  71  11.111   6.809 -13.817
  551   2HE   LYS  71          1HE       LYS  71  12.664   7.631 -13.669
  552   1HZ   LYS  71          1HZ       LYS  71  11.805   8.763 -15.415
  553   2HZ   LYS  71          2HZ       LYS  71  10.853   7.473 -15.954
  554   3HZ   LYS  71          3HZ       LYS  71  12.511   7.496 -16.287
  555    H    ARG  72           H        ARG  72  16.711   4.549 -17.868
  556    HA   ARG  72           HA       ARG  72  17.727   1.827 -18.046
  557   1HB   ARG  72          2HB       ARG  72  19.372   2.882 -19.651
  558   2HB   ARG  72          1HB       ARG  72  17.683   2.964 -20.130
  559   1HG   ARG  72          2HG       ARG  72  18.626   5.270 -18.586
  560   2HG   ARG  72          1HG       ARG  72  19.405   5.056 -20.155
  561   1HD   ARG  72          2HD       ARG  72  16.822   4.640 -20.825
  562   2HD   ARG  72          1HD       ARG  72  16.626   5.781 -19.496
  563    HE   ARG  72           HE       ARG  72  18.537   6.931 -21.030
  564   1HH1  ARG  72          1HH1      ARG  72  15.346   5.689 -21.708
  565   2HH1  ARG  72          2HH1      ARG  72  15.052   6.803 -23.001
  566   1HH2  ARG  72          1HH2      ARG  72  18.151   8.397 -22.730
  567   2HH2  ARG  72          2HH2      ARG  72  16.644   8.340 -23.582
  568    H    LYS  73           H        LYS  73  19.378   1.077 -16.890
  569    HA   LYS  73           HA       LYS  73  20.765   2.899 -15.088
  570   1HB   LYS  73          2HB       LYS  73  20.752  -0.119 -15.261
  571   2HB   LYS  73          1HB       LYS  73  21.637   0.807 -14.056
  572   1HG   LYS  73          2HG       LYS  73  19.495   1.756 -13.270
  573   2HG   LYS  73          1HG       LYS  73  18.650   0.715 -14.416
  574   1HD   LYS  73          2HD       LYS  73  19.678  -1.253 -13.311
  575   2HD   LYS  73          1HD       LYS  73  20.389  -0.168 -12.114
  576   1HE   LYS  73          2HE       LYS  73  18.514  -0.625 -10.955
  577   2HE   LYS  73          1HE       LYS  73  17.804   0.603 -12.003
  578   1HZ   LYS  73          1HZ       LYS  73  16.753  -0.967 -13.281
  579   2HZ   LYS  73          2HZ       LYS  73  16.677  -1.703 -11.759
  580   3HZ   LYS  73          3HZ       LYS  73  17.839  -2.202 -12.883
  581    H    ASP  74           H        ASP  74  23.105   2.707 -14.790
  582    HA   ASP  74           HA       ASP  74  24.516   3.084 -17.167
  583   1HB   ASP  74          2HB       ASP  74  25.188   3.940 -14.912
  584   2HB   ASP  74          1HB       ASP  74  25.700   2.307 -14.499
  585    H    ASN  75           H        ASN  75  23.771   0.203 -15.432
  586    HA   ASN  75           HA       ASN  75  23.991  -1.992 -16.035
  587   1HB   ASN  75          2HB       ASN  75  23.950  -1.016 -18.415
  588   2HB   ASN  75          1HB       ASN  75  25.701  -1.192 -18.375
  589   1HD2  ASN  75          1HD2      ASN  75  22.693  -2.985 -17.918
  590   2HD2  ASN  75          2HD2      ASN  75  23.300  -4.497 -18.494
  591    H    GLU  76           H        GLU  76  26.360   0.021 -15.045
  592    HA   GLU  76           HA       GLU  76  28.559  -1.871 -15.184
  593   1HB   GLU  76          2HB       GLU  76  28.942   0.569 -15.486
  594   2HB   GLU  76          1HB       GLU  76  28.434   0.824 -13.823
  595   1HG   GLU  76          2HG       GLU  76  30.297  -0.603 -13.069
  596   2HG   GLU  76          1HG       GLU  76  30.827  -0.750 -14.744
  597    H    GLY  77           H        GLY  77  26.958  -3.335 -13.914
  598   1HA   GLY  77          2HA       GLY  77  27.031  -4.618 -11.958
  599   2HA   GLY  77          1HA       GLY  77  27.870  -3.303 -11.152
  600    H    ASN  78           H        ASN  78  25.118  -2.270 -12.852
  601    HA   ASN  78           HA       ASN  78  23.615  -2.126 -10.327
  602   1HB   ASN  78          2HB       ASN  78  23.505  -0.362 -12.782
  603   2HB   ASN  78          1HB       ASN  78  22.416  -0.212 -11.406
  604   1HD2  ASN  78          1HD2      ASN  78  24.036   1.858 -12.276
  605   2HD2  ASN  78          2HD2      ASN  78  25.222   2.190 -11.064
  606    H    GLU  79           H        GLU  79  23.617  -4.436 -12.076
  607    HA   GLU  79           HA       GLU  79  21.404  -4.563 -13.772
  608   1HB   GLU  79          2HB       GLU  79  23.200  -6.274 -13.633
  609   2HB   GLU  79          1HB       GLU  79  22.543  -6.800 -12.090
  610   1HG   GLU  79          2HG       GLU  79  20.421  -7.356 -13.229
  611   2HG   GLU  79          1HG       GLU  79  21.174  -6.932 -14.765
  612    H    VAL  80           H        VAL  80  21.657  -4.985 -10.288
  613    HA   VAL  80           HA       VAL  80  20.093  -5.115  -8.640
  614    HB   VAL  80           HB       VAL  80  18.133  -4.045 -10.670
  615   1HG1  VAL  80          1HG1      VAL  80  17.238  -2.957  -8.522
  616   2HG1  VAL  80          2HG1      VAL  80  18.214  -4.157  -7.676
  617   3HG1  VAL  80          3HG1      VAL  80  16.934  -4.675  -8.773
  618   1HG2  VAL  80          1HG2      VAL  80  20.440  -2.771  -9.369
  619   2HG2  VAL  80          2HG2      VAL  80  18.927  -1.872  -9.256
  620   3HG2  VAL  80          3HG2      VAL  80  19.570  -2.320 -10.836
  621    H    VAL  81           H        VAL  81  18.174  -6.282  -7.920
  622    HA   VAL  81           HA       VAL  81  17.889  -8.771  -9.359
  623    HB   VAL  81           HB       VAL  81  18.148  -8.796  -6.922
  624   1HG1  VAL  81          1HG1      VAL  81  16.508  -6.640  -6.881
  625   2HG1  VAL  81          2HG1      VAL  81  16.885  -7.632  -5.472
  626   3HG1  VAL  81          3HG1      VAL  81  15.399  -7.914  -6.377
  627   1HG2  VAL  81          1HG2      VAL  81  15.914 -10.037  -8.348
  628   2HG2  VAL  81          2HG2      VAL  81  15.716 -10.000  -6.597
  629   3HG2  VAL  81          3HG2      VAL  81  17.140 -10.760  -7.306
  630    HA   PRO  82           HA       PRO  82  14.203  -7.097 -11.379
  631   1HB   PRO  82          2HB       PRO  82  13.845  -9.184 -13.075
  632   2HB   PRO  82          1HB       PRO  82  15.039  -7.911 -13.359
  633   1HG   PRO  82          2HG       PRO  82  15.427 -10.650 -12.211
  634   2HG   PRO  82          1HG       PRO  82  16.418  -9.786 -13.402
  635   1HD   PRO  82          2HD       PRO  82  17.095  -9.940 -10.787
  636   2HD   PRO  82          1HD       PRO  82  17.484  -8.529 -11.791
  637    H    LYS  83           H        LYS  83  13.524  -7.790  -8.977
  638    HA   LYS  83           HA       LYS  83  11.411  -9.812  -9.314
  639   1HB   LYS  83          2HB       LYS  83  13.221 -10.739  -7.930
  640   2HB   LYS  83          1HB       LYS  83  13.086  -9.370  -6.834
  641   1HG   LYS  83          2HG       LYS  83  11.253 -10.190  -5.817
  642   2HG   LYS  83          1HG       LYS  83  10.603 -10.882  -7.304
  643   1HD   LYS  83          2HD       LYS  83  12.008 -12.783  -7.142
  644   2HD   LYS  83          1HD       LYS  83  12.984 -12.040  -5.874
  645   1HE   LYS  83          2HE       LYS  83  11.520 -13.686  -4.892
  646   2HE   LYS  83          1HE       LYS  83  11.011 -12.075  -4.386
  647   1HZ   LYS  83          1HZ       LYS  83   9.496 -12.364  -6.523
  648   2HZ   LYS  83          2HZ       LYS  83   9.012 -12.902  -4.995
  649   3HZ   LYS  83          3HZ       LYS  83   9.657 -13.997  -6.110
  650    HA   PRO  84           HA       PRO  84   9.391  -5.759  -8.375
  651   1HB   PRO  84          2HB       PRO  84   7.127  -7.512  -9.209
  652   2HB   PRO  84          1HB       PRO  84   7.480  -5.840  -9.658
  653   1HG   PRO  84          2HG       PRO  84   7.949  -7.825 -11.365
  654   2HG   PRO  84          1HG       PRO  84   9.071  -6.459 -11.230
  655   1HD   PRO  84          2HD       PRO  84   9.342  -9.244 -10.198
  656   2HD   PRO  84          1HD       PRO  84  10.585  -8.148 -10.828
  657    H    GLN  85           H        GLN  85   8.914  -5.319  -6.325
  658    HA   GLN  85           HA       GLN  85   7.955  -7.430  -4.565
  659   1HB   GLN  85          2HB       GLN  85   8.823  -4.592  -3.985
  660   2HB   GLN  85          1HB       GLN  85   8.346  -5.765  -2.764
  661   1HG   GLN  85          2HG       GLN  85  10.205  -7.219  -3.491
  662   2HG   GLN  85          1HG       GLN  85  10.709  -5.959  -4.616
  663   1HE2  GLN  85          1HE2      GLN  85  11.922  -4.311  -3.895
  664   2HE2  GLN  85          2HE2      GLN  85  12.401  -4.089  -2.251
  665    H    ARG  86           H        ARG  86   5.961  -7.526  -3.681
  666    HA   ARG  86           HA       ARG  86   4.093  -5.334  -4.308
  667   1HB   ARG  86          2HB       ARG  86   3.544  -8.306  -4.322
  668   2HB   ARG  86          1HB       ARG  86   2.315  -7.061  -4.502
  669   1HG   ARG  86          2HG       ARG  86   3.431  -6.281  -6.548
  670   2HG   ARG  86          1HG       ARG  86   4.613  -7.582  -6.377
  671   1HD   ARG  86          2HD       ARG  86   2.723  -9.208  -6.452
  672   2HD   ARG  86          1HD       ARG  86   1.644  -7.861  -6.814
  673    HE   ARG  86           HE       ARG  86   3.551  -7.652  -8.719
  674   1HH1  ARG  86          1HH1      ARG  86   1.527 -10.284  -7.648
  675   2HH1  ARG  86          2HH1      ARG  86   1.476 -11.044  -9.204
  676   1HH2  ARG  86          1HH2      ARG  86   3.485  -8.649 -10.767
  677   2HH2  ARG  86          2HH2      ARG  86   2.587 -10.116 -10.975
  678    H    HIS  87           H        HIS  87   2.659  -4.722  -2.735
  679    HA   HIS  87           HA       HIS  87   3.156  -5.846  -0.068
  680   1HB   HIS  87          2HB       HIS  87   2.347  -3.144  -1.058
  681   2HB   HIS  87          1HB       HIS  87   1.846  -3.636   0.556
  682    HD1  HIS  87           HD1      HIS  87   3.478  -3.165   2.358
  683    HD2  HIS  87           HD2      HIS  87   5.297  -3.348  -1.373
  684    HE1  HIS  87           HE1      HIS  87   5.883  -2.543   2.753
  685    HE2  HIS  87           HE2      HIS  87   6.983  -2.747   0.495
  686    H    MET  88           H        MET  88   1.721  -7.359   0.464
  687    HA   MET  88           HA       MET  88  -1.035  -7.139  -0.486
  688   1HB   MET  88          2HB       MET  88   0.396  -9.402   0.919
  689   2HB   MET  88          1HB       MET  88  -1.269  -9.457   0.355
  690   1HG   MET  88          2HG       MET  88  -0.460  -9.098  -1.949
  691   2HG   MET  88          1HG       MET  88   1.195  -9.161  -1.346
  692   1HE   MET  88          1HE       MET  88   1.282 -10.563  -3.306
  693   2HE   MET  88          2HE       MET  88   0.419 -12.076  -3.580
  694   3HE   MET  88          3HE       MET  88   1.955 -12.080  -2.711
  695    H    PHE  89           H        PHE  89  -2.576  -6.343   0.771
  696    HA   PHE  89           HA       PHE  89  -2.130  -6.299   3.683
  697   1HB   PHE  89          2HB       PHE  89  -3.592  -4.368   1.884
  698   2HB   PHE  89          1HB       PHE  89  -3.763  -4.351   3.636
  699    HD1  PHE  89           HD1      PHE  89  -1.678  -3.469   0.822
  700    HD2  PHE  89           HD2      PHE  89  -1.812  -3.831   5.059
  701    HE1  PHE  89           HE1      PHE  89   0.332  -2.063   1.000
  702    HE2  PHE  89           HE2      PHE  89   0.199  -2.423   5.246
  703    HZ   PHE  89           HZ       PHE  89   1.272  -1.537   3.215
  704    H    SER  90           H        SER  90  -4.043  -6.446   5.035
  705    HA   SER  90           HA       SER  90  -6.231  -7.962   3.773
  706   1HB   SER  90          2HB       SER  90  -4.474  -8.706   6.006
  707   2HB   SER  90          1HB       SER  90  -6.190  -8.903   6.356
  708    HG   SER  90           HG       SER  90  -4.971 -10.706   5.280
  709    H    PHE  91           H        PHE  91  -8.104  -6.935   3.969
  710    HA   PHE  91           HA       PHE  91  -8.416  -4.937   6.078
  711   1HB   PHE  91          2HB       PHE  91  -9.691  -5.397   3.416
  712   2HB   PHE  91          1HB       PHE  91 -10.573  -4.490   4.641
  713    HD1  PHE  91           HD1      PHE  91  -7.547  -4.564   2.564
  714    HD2  PHE  91           HD2      PHE  91  -9.951  -2.290   5.236
  715    HE1  PHE  91           HE1      PHE  91  -6.279  -2.546   1.968
  716    HE2  PHE  91           HE2      PHE  91  -8.689  -0.256   4.644
  717    HZ   PHE  91           HZ       PHE  91  -6.849  -0.382   3.008
  718    H    ASN  92           H        ASN  92  -9.944  -5.019   7.617
  719    HA   ASN  92           HA       ASN  92 -11.412  -7.536   7.882
  720   1HB   ASN  92          2HB       ASN  92  -9.971  -6.764   9.767
  721   2HB   ASN  92          1HB       ASN  92 -11.006  -5.349   9.932
  722   1HD2  ASN  92          1HD2      ASN  92 -11.095  -8.882   9.918
  723   2HD2  ASN  92          2HD2      ASN  92 -12.367  -9.029  11.078
  724    H    ASN  93           H        ASN  93 -12.024  -4.831   6.337
  725    HA   ASN  93           HA       ASN  93 -14.860  -5.013   6.796
  726   1HB   ASN  93          2HB       ASN  93 -13.968  -3.309   8.454
  727   2HB   ASN  93          1HB       ASN  93 -13.561  -2.308   7.063
  728   1HD2  ASN  93          1HD2      ASN  93 -15.140  -1.083   8.663
  729   2HD2  ASN  93          2HD2      ASN  93 -16.790  -1.094   8.150
  730    H    ARG  94           H        ARG  94 -15.879  -4.923   4.916
  731    HA   ARG  94           HA       ARG  94 -14.525  -4.473   2.490
  732   1HB   ARG  94          2HB       ARG  94 -17.488  -4.554   3.087
  733   2HB   ARG  94          1HB       ARG  94 -16.804  -4.546   1.468
  734   1HG   ARG  94          2HG       ARG  94 -15.629  -6.656   1.998
  735   2HG   ARG  94          1HG       ARG  94 -16.439  -6.674   3.566
  736   1HD   ARG  94          2HD       ARG  94 -18.621  -6.626   2.350
  737   2HD   ARG  94          1HD       ARG  94 -17.725  -6.815   0.843
  738    HE   ARG  94           HE       ARG  94 -17.103  -8.840   2.770
  739   1HH1  ARG  94          1HH1      ARG  94 -19.367  -7.889   0.290
  740   2HH1  ARG  94          2HH1      ARG  94 -19.874  -9.510  -0.044
  741   1HH2  ARG  94          1HH2      ARG  94 -17.768 -10.973   2.333
  742   2HH2  ARG  94          2HH2      ARG  94 -18.967 -11.262   1.116
  743    H    THR  95           H        THR  95 -16.279  -2.357   4.620
  744    HA   THR  95           HA       THR  95 -16.606  -0.255   2.730
  745    HB   THR  95           HB       THR  95 -17.223  -0.748   5.552
  746    HG1  THR  95           HG1      THR  95 -18.470   0.898   3.613
  747   1HG2  THR  95          1HG2      THR  95 -16.515   2.027   4.670
  748   2HG2  THR  95          2HG2      THR  95 -15.929   1.139   6.076
  749   3HG2  THR  95          3HG2      THR  95 -17.605   1.686   6.014
  750    H    VAL  96           H        VAL  96 -14.410  -0.962   5.359
  751    HA   VAL  96           HA       VAL  96 -12.855   1.387   5.101
  752    HB   VAL  96           HB       VAL  96 -12.042  -1.257   6.311
  753   1HG1  VAL  96          1HG1      VAL  96 -10.041  -0.156   6.162
  754   2HG1  VAL  96          2HG1      VAL  96 -10.624   0.474   7.703
  755   3HG1  VAL  96          3HG1      VAL  96 -10.787   1.440   6.238
  756   1HG2  VAL  96          1HG2      VAL  96 -13.138  -0.734   8.207
  757   2HG2  VAL  96          2HG2      VAL  96 -14.116   0.272   7.140
  758   3HG2  VAL  96          3HG2      VAL  96 -12.790   0.987   8.056
  759    H    MET  97           H        MET  97 -12.767  -1.749   3.599
  760    HA   MET  97           HA       MET  97 -10.161  -1.383   2.445
  761   1HB   MET  97          2HB       MET  97 -10.374  -3.510   1.578
  762   2HB   MET  97          1HB       MET  97 -11.440  -3.606   2.970
  763   1HG   MET  97          2HG       MET  97 -13.367  -3.231   1.520
  764   2HG   MET  97          1HG       MET  97 -12.298  -3.131   0.124
  765   1HE   MET  97          1HE       MET  97 -14.454  -4.600  -0.270
  766   2HE   MET  97          2HE       MET  97 -14.512  -6.340   0.010
  767   3HE   MET  97          3HE       MET  97 -13.478  -5.685  -1.259
  768    H    ASP  98           H        ASP  98 -13.471  -0.806   1.470
  769    HA   ASP  98           HA       ASP  98 -12.771  -0.239  -1.253
  770   1HB   ASP  98          2HB       ASP  98 -15.293  -0.200   0.342
  771   2HB   ASP  98          1HB       ASP  98 -15.238   0.694  -1.174
  772    H    ASN  99           H        ASN  99 -13.054   1.517   1.696
  773    HA   ASN  99           HA       ASN  99 -13.372   4.093   0.533
  774   1HB   ASN  99          2HB       ASN  99 -12.560   3.182   3.287
  775   2HB   ASN  99          1HB       ASN  99 -12.674   4.883   2.847
  776   1HD2  ASN  99          1HD2      ASN  99 -14.186   3.958   4.875
  777   2HD2  ASN  99          2HD2      ASN  99 -15.850   3.893   4.410
  778    H    ILE 100           H        ILE 100 -10.687   2.066   1.334
  779    HA   ILE 100           HA       ILE 100  -8.729   4.179   1.018
  780    HB   ILE 100           HB       ILE 100  -8.336   1.203   1.371
  781   1HG1  ILE 100          2HG1      ILE 100  -9.452   2.397   3.275
  782   2HG1  ILE 100          1HG1      ILE 100  -7.904   1.672   3.689
  783   1HG2  ILE 100          1HG2      ILE 100  -6.424   2.230   0.290
  784   2HG2  ILE 100          2HG2      ILE 100  -6.023   1.787   1.950
  785   3HG2  ILE 100          3HG2      ILE 100  -6.356   3.471   1.543
  786   1HD1  ILE 100          1HD1      ILE 100  -6.864   3.706   3.916
  787   2HD1  ILE 100          2HD1      ILE 100  -8.489   4.066   4.499
  788   3HD1  ILE 100          3HD1      ILE 100  -8.013   4.533   2.865
  789    H    LYS 101           H        LYS 101  -9.770   1.279  -0.740
  790    HA   LYS 101           HA       LYS 101  -7.907   1.216  -2.757
  791   1HB   LYS 101          2HB       LYS 101  -9.395  -0.124  -3.978
  792   2HB   LYS 101          1HB       LYS 101  -9.847  -0.389  -2.301
  793   1HG   LYS 101          2HG       LYS 101 -11.796   0.908  -2.509
  794   2HG   LYS 101          1HG       LYS 101 -11.268   1.604  -4.041
  795   1HD   LYS 101          2HD       LYS 101 -12.971  -0.067  -4.444
  796   2HD   LYS 101          1HD       LYS 101 -11.423  -0.625  -5.080
  797   1HE   LYS 101          2HE       LYS 101 -11.196  -1.763  -2.743
  798   2HE   LYS 101          1HE       LYS 101 -12.948  -1.571  -2.691
  799   1HZ   LYS 101          1HZ       LYS 101 -11.512  -2.901  -4.920
  800   2HZ   LYS 101          2HZ       LYS 101 -13.180  -2.878  -4.643
  801   3HZ   LYS 101          3HZ       LYS 101 -12.162  -3.734  -3.599
  802    H    MET 102           H        MET 102 -10.740   3.305  -2.502
  803    HA   MET 102           HA       MET 102 -10.502   4.382  -5.121
  804   1HB   MET 102          2HB       MET 102 -11.939   5.407  -2.677
  805   2HB   MET 102          1HB       MET 102 -12.068   6.137  -4.272
  806   1HG   MET 102          2HG       MET 102 -12.933   3.976  -5.129
  807   2HG   MET 102          1HG       MET 102 -12.929   3.368  -3.474
  808   1HE   MET 102          1HE       MET 102 -14.403   4.400  -1.524
  809   2HE   MET 102          2HE       MET 102 -15.536   5.732  -1.747
  810   3HE   MET 102          3HE       MET 102 -13.800   6.021  -1.868
  811    H    THR 103           H        THR 103  -9.593   5.582  -1.937
  812    HA   THR 103           HA       THR 103  -8.533   8.023  -2.722
  813    HB   THR 103           HB       THR 103  -7.280   6.569  -0.469
  814    HG1  THR 103           HG1      THR 103  -9.138   6.578   0.738
  815   1HG2  THR 103          1HG2      THR 103  -7.724   8.575   0.747
  816   2HG2  THR 103          2HG2      THR 103  -8.739   9.182  -0.561
  817   3HG2  THR 103          3HG2      THR 103  -7.001   8.997  -0.804
  818    H    LEU 104           H        LEU 104  -7.054   4.825  -2.436
  819    HA   LEU 104           HA       LEU 104  -4.404   5.647  -2.963
  820   1HB   LEU 104          2HB       LEU 104  -5.756   2.980  -3.385
  821   2HB   LEU 104          1HB       LEU 104  -4.028   3.245  -3.530
  822    HG   LEU 104           HG       LEU 104  -5.676   3.547  -1.019
  823   1HD1  LEU 104          1HD1      LEU 104  -4.146   1.693  -0.256
  824   2HD1  LEU 104          2HD1      LEU 104  -3.672   1.504  -1.945
  825   3HD1  LEU 104          3HD1      LEU 104  -5.351   1.248  -1.466
  826   1HD2  LEU 104          1HD2      LEU 104  -2.759   4.067  -1.556
  827   2HD2  LEU 104          2HD2      LEU 104  -3.439   3.865   0.059
  828   3HD2  LEU 104          3HD2      LEU 104  -3.966   5.206  -0.958
  829    H    GLN 105           H        GLN 105  -7.096   4.727  -5.035
  830    HA   GLN 105           HA       GLN 105  -5.597   4.552  -7.433
  831   1HB   GLN 105          2HB       GLN 105  -8.520   4.908  -6.835
  832   2HB   GLN 105          1HB       GLN 105  -7.922   4.971  -8.487
  833   1HG   GLN 105          2HG       GLN 105  -6.784   2.671  -7.454
  834   2HG   GLN 105          1HG       GLN 105  -8.412   2.691  -6.775
  835   1HE2  GLN 105          1HE2      GLN 105  -8.081   0.672  -8.312
  836   2HE2  GLN 105          2HE2      GLN 105  -8.751   0.884  -9.890
  837    H    GLN 106           H        GLN 106  -7.119   7.167  -5.718
  838    HA   GLN 106           HA       GLN 106  -7.024   9.082  -7.793
  839   1HB   GLN 106          2HB       GLN 106  -7.050   9.409  -4.788
  840   2HB   GLN 106          1HB       GLN 106  -7.184  10.750  -5.917
  841   1HG   GLN 106          2HG       GLN 106  -9.229   9.749  -6.839
  842   2HG   GLN 106          1HG       GLN 106  -9.103   8.447  -5.656
  843   1HE2  GLN 106          1HE2      GLN 106 -10.719  11.154  -6.300
  844   2HE2  GLN 106          2HE2      GLN 106 -11.080  11.702  -4.702
  845    H    ILE 107           H        ILE 107  -4.754   8.153  -5.254
  846    HA   ILE 107           HA       ILE 107  -2.850  10.167  -5.632
  847    HB   ILE 107           HB       ILE 107  -2.423   7.286  -4.821
  848   1HG1  ILE 107          2HG1      ILE 107  -2.563   9.732  -3.057
  849   2HG1  ILE 107          1HG1      ILE 107  -3.973   8.741  -3.422
  850   1HG2  ILE 107          1HG2      ILE 107  -0.525   9.283  -5.460
  851   2HG2  ILE 107          2HG2      ILE 107  -0.244   7.676  -4.792
  852   3HG2  ILE 107          3HG2      ILE 107  -0.486   9.049  -3.712
  853   1HD1  ILE 107          1HD1      ILE 107  -1.770   7.121  -2.513
  854   2HD1  ILE 107          2HD1      ILE 107  -3.412   7.256  -1.881
  855   3HD1  ILE 107          3HD1      ILE 107  -2.165   8.387  -1.352
  856    H    ILE 108           H        ILE 108  -3.263   7.030  -7.190
  857    HA   ILE 108           HA       ILE 108  -1.016   6.917  -8.805
  858    HB   ILE 108           HB       ILE 108  -3.734   6.131  -9.816
  859   1HG1  ILE 108          2HG1      ILE 108  -3.812   5.217  -7.661
  860   2HG1  ILE 108          1HG1      ILE 108  -3.241   3.894  -8.670
  861   1HG2  ILE 108          1HG2      ILE 108  -2.070   5.802 -11.428
  862   2HG2  ILE 108          2HG2      ILE 108  -2.368   4.210 -10.728
  863   3HG2  ILE 108          3HG2      ILE 108  -0.941   5.131 -10.252
  864   1HD1  ILE 108          1HD1      ILE 108  -0.942   5.204  -7.793
  865   2HD1  ILE 108          2HD1      ILE 108  -1.567   3.646  -7.248
  866   3HD1  ILE 108          3HD1      ILE 108  -2.011   5.124  -6.393
  867    H    SER 109           H        SER 109  -4.163   8.243  -9.528
  868    HA   SER 109           HA       SER 109  -3.653   9.239 -12.074
  869   1HB   SER 109          2HB       SER 109  -5.912   9.067 -11.037
  870   2HB   SER 109          1HB       SER 109  -5.519  10.463 -10.034
  871    HG   SER 109           HG       SER 109  -6.641  10.626 -12.288
  872    H    ARG 110           H        ARG 110  -2.895  10.570  -8.959
  873    HA   ARG 110           HA       ARG 110  -2.261  13.179  -9.887
  874   1HB   ARG 110          2HB       ARG 110  -1.524  11.743  -7.339
  875   2HB   ARG 110          1HB       ARG 110  -1.162  13.435  -7.652
  876   1HG   ARG 110          2HG       ARG 110  -3.575  13.879  -7.887
  877   2HG   ARG 110          1HG       ARG 110  -3.898  12.193  -7.479
  878   1HD   ARG 110          2HD       ARG 110  -4.179  13.480  -5.491
  879   2HD   ARG 110          1HD       ARG 110  -2.677  12.567  -5.328
  880    HE   ARG 110           HE       ARG 110  -2.239  15.179  -6.389
  881   1HH1  ARG 110          1HH1      ARG 110  -2.790  13.412  -3.431
  882   2HH1  ARG 110          2HH1      ARG 110  -1.993  14.582  -2.436
  883   1HH2  ARG 110          1HH2      ARG 110  -1.188  16.720  -5.081
  884   2HH2  ARG 110          2HH2      ARG 110  -1.083  16.461  -3.373
  885    H    TYR 111           H        TYR 111  -0.483  10.226  -9.430
  886    HA   TYR 111           HA       TYR 111   2.097  11.385  -9.811
  887   1HB   TYR 111          2HB       TYR 111   1.015   8.611  -9.647
  888   2HB   TYR 111          1HB       TYR 111   2.608   8.838 -10.363
  889    HD1  TYR 111           HD1      TYR 111   4.439   9.826  -9.002
  890    HD2  TYR 111           HD2      TYR 111   0.677   8.810  -7.296
  891    HE1  TYR 111           HE1      TYR 111   5.441   9.912  -6.758
  892    HE2  TYR 111           HE2      TYR 111   1.668   8.893  -5.047
  893    HH   TYR 111           HH       TYR 111   4.451  10.354  -4.317
  894    H    LYS 112           H        LYS 112  -0.379  10.144 -11.878
  895    HA   LYS 112           HA       LYS 112   1.216   9.827 -14.207
  896   1HB   LYS 112          2HB       LYS 112  -1.765  10.150 -13.851
  897   2HB   LYS 112          1HB       LYS 112  -0.993   9.793 -15.391
  898   1HG   LYS 112          2HG       LYS 112  -0.102   7.712 -14.448
  899   2HG   LYS 112          1HG       LYS 112  -0.923   8.065 -12.926
  900   1HD   LYS 112          2HD       LYS 112  -2.720   8.236 -15.198
  901   2HD   LYS 112          1HD       LYS 112  -1.957   6.650 -15.078
  902   1HE   LYS 112          2HE       LYS 112  -2.763   7.495 -12.471
  903   2HE   LYS 112          1HE       LYS 112  -4.125   7.670 -13.578
  904   1HZ   LYS 112          1HZ       LYS 112  -4.024   5.402 -14.145
  905   2HZ   LYS 112          2HZ       LYS 112  -3.893   5.450 -12.460
  906   3HZ   LYS 112          3HZ       LYS 112  -2.516   5.189 -13.406
  907    H    ASP 113           H        ASP 113  -0.701  12.444 -12.846
  908    HA   ASP 113           HA       ASP 113  -0.733  14.169 -15.041
  909   1HB   ASP 113          2HB       ASP 113  -0.698  14.772 -12.079
  910   2HB   ASP 113          1HB       ASP 113  -0.988  15.987 -13.321
  911    H    ALA 114           H        ALA 114   1.733  13.611 -12.593
  912    HA   ALA 114           HA       ALA 114   3.395  15.794 -13.170
  913   1HB   ALA 114          1HB       ALA 114   4.099  13.067 -12.096
  914   2HB   ALA 114          2HB       ALA 114   3.692  14.503 -11.156
  915   3HB   ALA 114          3HB       ALA 114   5.181  14.461 -12.100
  916    H    ASP 115           H        ASP 115   3.047  12.660 -14.697
  917    HA   ASP 115           HA       ASP 115   5.215  13.338 -16.567
  918   1HB   ASP 115          2HB       ASP 115   3.945  10.676 -15.899
  919   2HB   ASP 115          1HB       ASP 115   5.129  10.908 -17.181
  Start of MODEL   13
    1    HT1  PRO   1           HT2      PRO   1 -13.369  13.438   5.323
    2    HT2  PRO   1           HT1      PRO   1 -13.376  11.749   5.546
    3    HA   PRO   1           HA       PRO   1 -11.588  13.318   4.174
    4   1HB   PRO   1          2HB       PRO   1  -9.673  11.955   5.630
    5   2HB   PRO   1          1HB       PRO   1 -10.034  13.680   5.774
    6   1HG   PRO   1          2HG       PRO   1 -10.935  11.405   7.477
    7   2HG   PRO   1          1HG       PRO   1 -10.549  13.071   7.940
    8   1HD   PRO   1          2HD       PRO   1 -13.102  12.150   7.733
    9   2HD   PRO   1          1HD       PRO   1 -12.663  13.839   7.411
   10    H    SER   2           H        SER   2 -12.146  10.247   5.782
   11    HA   SER   2           HA       SER   2 -12.103   8.086   5.067
   12   1HB   SER   2          2HB       SER   2 -13.815   8.898   3.500
   13   2HB   SER   2          1HB       SER   2 -12.554   9.363   2.358
   14    HG   SER   2           HG       SER   2 -12.612   7.394   1.664
   15    H    HIS   3           H        HIS   3  -9.604   9.669   5.136
   16    HA   HIS   3           HA       HIS   3  -8.027   8.365   3.043
   17   1HB   HIS   3          2HB       HIS   3  -7.589  10.736   4.809
   18   2HB   HIS   3          1HB       HIS   3  -6.190   9.883   4.167
   19    HD1  HIS   3           HD1      HIS   3  -8.856  12.258   3.239
   20    HD2  HIS   3           HD2      HIS   3  -5.967   9.976   1.313
   21    HE1  HIS   3           HE1      HIS   3  -8.701  13.195   0.911
   22    HE2  HIS   3           HE2      HIS   3  -6.884  11.856  -0.207
   23    H    SER   4           H        SER   4  -8.720   8.199   6.399
   24    HA   SER   4           HA       SER   4  -6.490   6.309   6.783
   25   1HB   SER   4          2HB       SER   4  -6.662   6.825   9.202
   26   2HB   SER   4          1HB       SER   4  -6.269   8.251   8.240
   27    HG   SER   4           HG       SER   4  -8.368   8.953   8.449
   28    H    GLY   5           H        GLY   5  -6.979   4.264   7.169
   29   1HA   GLY   5          2HA       GLY   5  -9.489   3.545   8.455
   30   2HA   GLY   5          1HA       GLY   5  -9.286   2.984   6.800
   31    H    ALA   6           H        ALA   6  -9.504   1.451   9.319
   32    HA   ALA   6           HA       ALA   6  -6.992   0.440  10.069
   33   1HB   ALA   6          1HB       ALA   6  -9.681  -0.901  10.213
   34   2HB   ALA   6          2HB       ALA   6  -8.940   0.103  11.460
   35   3HB   ALA   6          3HB       ALA   6  -8.214  -1.446  11.026
   36    H    ALA   7           H        ALA   7  -5.750  -1.162   9.329
   37    HA   ALA   7           HA       ALA   7  -6.679  -2.990   7.301
   38   1HB   ALA   7          1HB       ALA   7  -4.510  -0.994   6.698
   39   2HB   ALA   7          2HB       ALA   7  -6.087  -1.113   5.917
   40   3HB   ALA   7          3HB       ALA   7  -4.894  -2.393   5.696
   41    H    ILE   8           H        ILE   8  -5.391  -4.837   7.061
   42    HA   ILE   8           HA       ILE   8  -3.445  -5.231   9.209
   43    HB   ILE   8           HB       ILE   8  -4.576  -7.281   7.313
   44   1HG1  ILE   8          2HG1      ILE   8  -5.466  -6.829  10.151
   45   2HG1  ILE   8          1HG1      ILE   8  -6.273  -6.071   8.777
   46   1HG2  ILE   8          1HG2      ILE   8  -3.560  -7.947  10.021
   47   2HG2  ILE   8          2HG2      ILE   8  -2.386  -7.611   8.751
   48   3HG2  ILE   8          3HG2      ILE   8  -3.560  -8.907   8.542
   49   1HD1  ILE   8          1HD1      ILE   8  -7.062  -8.059   7.972
   50   2HD1  ILE   8          2HD1      ILE   8  -7.153  -8.313   9.717
   51   3HD1  ILE   8          3HD1      ILE   8  -5.817  -9.008   8.790
   52    H    PHE   9           H        PHE   9  -1.370  -5.867   8.878
   53    HA   PHE   9           HA       PHE   9  -0.416  -6.299   6.162
   54   1HB   PHE   9          2HB       PHE   9  -0.146  -3.887   6.492
   55   2HB   PHE   9          1HB       PHE   9   0.750  -4.179   7.976
   56    HD1  PHE   9           HD1      PHE   9   2.989  -3.797   7.774
   57    HD2  PHE   9           HD2      PHE   9   0.890  -5.472   4.479
   58    HE1  PHE   9           HE1      PHE   9   5.090  -3.891   6.492
   59    HE2  PHE   9           HE2      PHE   9   2.983  -5.572   3.187
   60    HZ   PHE   9           HZ       PHE   9   5.087  -4.780   4.194
   61    H    GLU  10           H        GLU  10   0.384  -8.271   6.406
   62    HA   GLU  10           HA       GLU  10   1.878  -9.890   6.973
   63   1HB   GLU  10          2HB       GLU  10   2.952  -8.014   9.074
   64   2HB   GLU  10          1HB       GLU  10   3.734  -9.447   8.431
   65   1HG   GLU  10          2HG       GLU  10   3.841  -8.353   6.221
   66   2HG   GLU  10          1HG       GLU  10   3.158  -6.897   6.944
   67    H    LYS  11           H        LYS  11  -0.630 -10.124   7.877
   68    HA   LYS  11           HA       LYS  11  -1.925 -11.239   9.334
   69   1HB   LYS  11          2HB       LYS  11   0.816 -12.121  10.029
   70   2HB   LYS  11          1HB       LYS  11  -0.509 -12.606  11.082
   71   1HG   LYS  11          2HG       LYS  11  -0.863 -12.990   8.171
   72   2HG   LYS  11          1HG       LYS  11   0.279 -14.054   8.998
   73   1HD   LYS  11          2HD       LYS  11  -1.545 -15.303   9.428
   74   2HD   LYS  11          1HD       LYS  11  -1.837 -14.119  10.704
   75   1HE   LYS  11          2HE       LYS  11  -3.846 -13.917   9.708
   76   2HE   LYS  11          1HE       LYS  11  -2.969 -12.861   8.600
   77   1HZ   LYS  11          1HZ       LYS  11  -3.882 -15.628   8.198
   78   2HZ   LYS  11          2HZ       LYS  11  -2.533 -15.070   7.343
   79   3HZ   LYS  11          3HZ       LYS  11  -4.024 -14.292   7.170
   80    H    VAL  12           H        VAL  12  -0.589  -8.488  10.112
   81    HA   VAL  12           HA       VAL  12  -1.593  -8.565  12.851
   82    HB   VAL  12           HB       VAL  12   0.701  -6.896  11.821
   83   1HG1  VAL  12          1HG1      VAL  12  -0.733  -5.680  13.426
   84   2HG1  VAL  12          2HG1      VAL  12   0.886  -5.990  14.054
   85   3HG1  VAL  12          3HG1      VAL  12  -0.474  -6.974  14.596
   86   1HG2  VAL  12          1HG2      VAL  12   0.851  -8.851  14.076
   87   2HG2  VAL  12          2HG2      VAL  12   2.146  -8.214  13.062
   88   3HG2  VAL  12          3HG2      VAL  12   1.013  -9.395  12.407
   89    H    SER  13           H        SER  13  -3.043  -6.963  13.386
   90    HA   SER  13           HA       SER  13  -3.907  -5.308  11.126
   91   1HB   SER  13          2HB       SER  13  -5.581  -6.823  12.146
   92   2HB   SER  13          1HB       SER  13  -5.395  -5.971  13.679
   93    HG   SER  13           HG       SER  13  -6.117  -4.073  12.606
   94    H    GLY  14           H        GLY  14  -4.229  -3.167  11.248
   95   1HA   GLY  14          2HA       GLY  14  -3.903  -1.647  13.653
   96   2HA   GLY  14          1HA       GLY  14  -2.497  -1.551  12.599
   97    H    ILE  15           H        ILE  15  -3.523   0.808  12.908
   98    HA   ILE  15           HA       ILE  15  -5.600   1.244  10.916
   99    HB   ILE  15           HB       ILE  15  -4.375   3.022  13.001
  100   1HG1  ILE  15          2HG1      ILE  15  -6.807   3.211  13.628
  101   2HG1  ILE  15          1HG1      ILE  15  -7.156   2.018  12.377
  102   1HG2  ILE  15          1HG2      ILE  15  -6.056   3.819  10.637
  103   2HG2  ILE  15          2HG2      ILE  15  -4.533   4.521  11.187
  104   3HG2  ILE  15          3HG2      ILE  15  -6.008   4.771  12.121
  105   1HD1  ILE  15          1HD1      ILE  15  -6.873   1.293  14.860
  106   2HD1  ILE  15          2HD1      ILE  15  -5.152   1.369  14.478
  107   3HD1  ILE  15          3HD1      ILE  15  -6.215   0.303  13.556
  108    H    ILE  16           H        ILE  16  -5.267   1.946   8.955
  109    HA   ILE  16           HA       ILE  16  -2.540   2.660   8.157
  110    HB   ILE  16           HB       ILE  16  -4.742   1.167   6.934
  111   1HG1  ILE  16          2HG1      ILE  16  -1.763   1.373   6.476
  112   2HG1  ILE  16          1HG1      ILE  16  -2.638   0.123   7.348
  113   1HG2  ILE  16          1HG2      ILE  16  -5.092   3.037   5.510
  114   2HG2  ILE  16          2HG2      ILE  16  -4.141   1.878   4.584
  115   3HG2  ILE  16          3HG2      ILE  16  -3.360   3.290   5.295
  116   1HD1  ILE  16          1HD1      ILE  16  -3.637   0.249   4.687
  117   2HD1  ILE  16          2HD1      ILE  16  -2.812  -1.076   5.506
  118   3HD1  ILE  16          3HD1      ILE  16  -1.878   0.146   4.644
  119    H    ALA  17           H        ALA  17  -2.106   4.744   7.892
  120    HA   ALA  17           HA       ALA  17  -4.308   6.576   7.214
  121   1HB   ALA  17          1HB       ALA  17  -3.296   7.106   9.342
  122   2HB   ALA  17          2HB       ALA  17  -2.893   8.359   8.168
  123   3HB   ALA  17          3HB       ALA  17  -1.692   7.142   8.605
  124    H    ILE  18           H        ILE  18  -4.105   7.988   5.512
  125    HA   ILE  18           HA       ILE  18  -1.829   7.483   3.725
  126    HB   ILE  18           HB       ILE  18  -4.721   7.836   3.276
  127   1HG1  ILE  18          2HG1      ILE  18  -2.600   6.597   1.523
  128   2HG1  ILE  18          1HG1      ILE  18  -3.335   5.759   2.887
  129   1HG2  ILE  18          1HG2      ILE  18  -4.250   8.690   0.918
  130   2HG2  ILE  18          2HG2      ILE  18  -2.702   9.238   1.561
  131   3HG2  ILE  18          3HG2      ILE  18  -4.207   9.859   2.238
  132   1HD1  ILE  18          1HD1      ILE  18  -5.567   6.293   1.724
  133   2HD1  ILE  18          2HD1      ILE  18  -4.552   5.006   1.072
  134   3HD1  ILE  18          3HD1      ILE  18  -4.571   6.592   0.299
  135    H    ASN  19           H        ASN  19  -0.358   9.041   3.888
  136    HA   ASN  19           HA       ASN  19  -1.273  11.817   4.229
  137   1HB   ASN  19          2HB       ASN  19   1.382  10.534   4.906
  138   2HB   ASN  19          1HB       ASN  19   1.057  12.261   5.029
  139   1HD2  ASN  19          1HD2      ASN  19   1.890  10.823   7.200
  140   2HD2  ASN  19          2HD2      ASN  19   0.605  10.706   8.348
  141    H    GLU  20           H        GLU  20  -1.378  12.823   2.332
  142    HA   GLU  20           HA       GLU  20   0.504  12.121   0.217
  143   1HB   GLU  20          2HB       GLU  20  -0.973  13.762  -1.115
  144   2HB   GLU  20          1HB       GLU  20  -1.657  12.210  -0.655
  145   1HG   GLU  20          2HG       GLU  20  -3.007  13.153   0.988
  146   2HG   GLU  20          1HG       GLU  20  -2.061  14.641   1.043
  147    H    ASP  21           H        ASP  21   0.146  14.457   2.646
  148    HA   ASP  21           HA       ASP  21   1.124  16.775   1.470
  149   1HB   ASP  21          2HB       ASP  21   1.510  15.703   4.269
  150   2HB   ASP  21          1HB       ASP  21   1.981  17.326   3.774
  151    H    VAL  22           H        VAL  22   2.719  13.818   2.192
  152    HA   VAL  22           HA       VAL  22   5.375  14.893   2.108
  153    HB   VAL  22           HB       VAL  22   4.831  12.008   1.762
  154   1HG1  VAL  22          1HG1      VAL  22   6.786  12.205   3.592
  155   2HG1  VAL  22          2HG1      VAL  22   7.013  13.726   2.727
  156   3HG1  VAL  22          3HG1      VAL  22   7.073  12.195   1.853
  157   1HG2  VAL  22          1HG2      VAL  22   4.945  12.140   4.443
  158   2HG2  VAL  22          2HG2      VAL  22   3.434  12.078   3.537
  159   3HG2  VAL  22          3HG2      VAL  22   4.063  13.628   4.099
  160    H    SER  23           H        SER  23   6.955  14.349   0.500
  161    HA   SER  23           HA       SER  23   5.869  13.486  -2.080
  162   1HB   SER  23          2HB       SER  23   7.575  15.382  -2.947
  163   2HB   SER  23          1HB       SER  23   5.861  15.688  -2.662
  164    HG   SER  23           HG       SER  23   7.429  17.183  -1.661
  165    HA   PRO  24           HA       PRO  24   6.102  11.956  -3.318
  166   1HB   PRO  24          2HB       PRO  24   6.905   9.203  -2.730
  167   2HB   PRO  24          1HB       PRO  24   6.627   9.976  -4.292
  168   1HG   PRO  24          2HG       PRO  24   9.092   9.264  -3.454
  169   2HG   PRO  24          1HG       PRO  24   8.810  10.681  -4.482
  170   1HD   PRO  24          2HD       PRO  24   9.278  10.547  -1.523
  171   2HD   PRO  24          1HD       PRO  24   9.931  11.690  -2.715
  172    H    ALA  25           H        ALA  25   4.129  11.252  -2.553
  173    HA   ALA  25           HA       ALA  25   3.603  11.409   0.178
  174   1HB   ALA  25          1HB       ALA  25   1.394  10.301  -0.464
  175   2HB   ALA  25          2HB       ALA  25   2.020  10.280  -2.112
  176   3HB   ALA  25          3HB       ALA  25   1.803  11.815  -1.270
  177    H    GLU  26           H        GLU  26   2.474   9.618   1.458
  178    HA   GLU  26           HA       GLU  26   3.359   6.924   0.911
  179   1HB   GLU  26          2HB       GLU  26   4.460   8.422   3.293
  180   2HB   GLU  26          1HB       GLU  26   4.618   6.691   3.032
  181   1HG   GLU  26          2HG       GLU  26   5.842   7.176   0.929
  182   2HG   GLU  26          1HG       GLU  26   5.781   8.889   1.339
  183    H    LEU  27           H        LEU  27   2.502   5.357   2.397
  184    HA   LEU  27           HA       LEU  27   0.153   6.348   3.873
  185   1HB   LEU  27          2HB       LEU  27  -0.424   4.977   1.929
  186   2HB   LEU  27          1HB       LEU  27   0.586   3.678   2.531
  187    HG   LEU  27           HG       LEU  27  -1.695   4.682   4.189
  188   1HD1  LEU  27          1HD1      LEU  27  -3.195   3.126   3.147
  189   2HD1  LEU  27          2HD1      LEU  27  -1.927   2.569   2.055
  190   3HD1  LEU  27          3HD1      LEU  27  -2.558   4.209   1.910
  191   1HD2  LEU  27          1HD2      LEU  27   0.016   2.249   4.028
  192   2HD2  LEU  27          2HD2      LEU  27  -1.625   2.105   4.657
  193   3HD2  LEU  27          3HD2      LEU  27  -0.475   3.192   5.435
  194    H    THR  28           H        THR  28   0.339   6.203   6.020
  195    HA   THR  28           HA       THR  28   2.382   4.578   7.209
  196    HB   THR  28           HB       THR  28   0.540   6.028   8.945
  197    HG1  THR  28           HG1      THR  28   1.066   8.057   8.205
  198   1HG2  THR  28          1HG2      THR  28   2.772   5.283   9.637
  199   2HG2  THR  28          2HG2      THR  28   2.547   7.025   9.803
  200   3HG2  THR  28          3HG2      THR  28   3.468   6.378   8.446
  201    H    TRP  29           H        TRP  29   2.044   2.981   8.744
  202    HA   TRP  29           HA       TRP  29  -0.691   2.006   9.119
  203   1HB   TRP  29          2HB       TRP  29   0.351   0.599   7.401
  204   2HB   TRP  29          1HB       TRP  29   1.720   0.294   8.469
  205    HD1  TRP  29           HD1      TRP  29  -2.095   0.031   9.056
  206    HE1  TRP  29           HE1      TRP  29  -2.600  -2.292  10.063
  207    HE3  TRP  29           HE3      TRP  29   2.648  -1.868   9.122
  208    HZ2  TRP  29           HZ2      TRP  29  -1.169  -4.591  10.787
  209    HZ3  TRP  29           HZ3      TRP  29   2.992  -4.146   9.995
  210    HH2  TRP  29           HH2      TRP  29   1.109  -5.485  10.807
  211    H    ARG  30           H        ARG  30  -1.043   2.250  11.234
  212    HA   ARG  30           HA       ARG  30   1.165   1.661  13.089
  213   1HB   ARG  30          2HB       ARG  30   0.085   3.904  13.262
  214   2HB   ARG  30          1HB       ARG  30  -1.436   3.110  13.649
  215   1HG   ARG  30          2HG       ARG  30  -0.386   2.135  15.652
  216   2HG   ARG  30          1HG       ARG  30   1.097   3.013  15.275
  217   1HD   ARG  30          2HD       ARG  30  -0.197   5.131  15.391
  218   2HD   ARG  30          1HD       ARG  30  -1.601   4.200  15.911
  219    HE   ARG  30           HE       ARG  30  -0.676   4.026  18.000
  220   1HH1  ARG  30          1HH1      ARG  30   1.768   5.119  15.761
  221   2HH1  ARG  30          2HH1      ARG  30   2.928   5.462  17.001
  222   1HH2  ARG  30          1HH2      ARG  30   0.849   4.477  19.631
  223   2HH2  ARG  30          2HH2      ARG  30   2.407   5.097  19.197
  224    H    SER  31           H        SER  31   1.083  -0.160  14.287
  225    HA   SER  31           HA       SER  31  -0.884  -2.100  13.888
  226   1HB   SER  31          2HB       SER  31   1.175  -2.943  14.601
  227   2HB   SER  31          1HB       SER  31   1.315  -1.764  15.906
  228    HG   SER  31           HG       SER  31   0.756  -3.925  16.592
  229    H    THR  32           H        THR  32  -2.277  -3.072  15.546
  230    HA   THR  32           HA       THR  32  -4.108  -1.247  16.586
  231    HB   THR  32           HB       THR  32  -3.594  -4.156  16.712
  232    HG1  THR  32           HG1      THR  32  -5.776  -4.175  16.028
  233   1HG2  THR  32          1HG2      THR  32  -5.494  -4.531  18.230
  234   2HG2  THR  32          2HG2      THR  32  -5.447  -2.817  18.644
  235   3HG2  THR  32          3HG2      THR  32  -4.067  -3.850  19.009
  236    H    ASP  33           H        ASP  33  -1.317  -2.808  17.902
  237    HA   ASP  33           HA       ASP  33  -1.805  -2.192  20.631
  238   1HB   ASP  33          2HB       ASP  33   0.746  -2.921  19.191
  239   2HB   ASP  33          1HB       ASP  33   0.608  -2.771  20.940
  240    H    GLY  34           H        GLY  34  -0.211  -0.563  18.009
  241   1HA   GLY  34          2HA       GLY  34   0.220   1.715  17.816
  242   2HA   GLY  34          1HA       GLY  34  -0.211   1.913  19.509
  243    H    ASP  35           H        ASP  35   2.060  -0.520  18.573
  244    HA   ASP  35           HA       ASP  35   4.212   1.089  19.764
  245   1HB   ASP  35          2HB       ASP  35   3.814  -1.905  19.739
  246   2HB   ASP  35          1HB       ASP  35   5.276  -1.113  20.317
  247    H    LYS  36           H        LYS  36   3.174  -0.568  16.954
  248    HA   LYS  36           HA       LYS  36   5.825  -0.151  15.743
  249   1HB   LYS  36          2HB       LYS  36   4.183  -2.557  15.849
  250   2HB   LYS  36          1HB       LYS  36   4.604  -2.112  14.202
  251   1HG   LYS  36          2HG       LYS  36   6.318  -3.535  14.851
  252   2HG   LYS  36          1HG       LYS  36   7.007  -1.925  15.072
  253   1HD   LYS  36          2HD       LYS  36   6.544  -2.022  17.450
  254   2HD   LYS  36          1HD       LYS  36   5.755  -3.588  17.257
  255   1HE   LYS  36          2HE       LYS  36   8.162  -4.086  16.121
  256   2HE   LYS  36          1HE       LYS  36   8.615  -2.903  17.347
  257   1HZ   LYS  36          1HZ       LYS  36   8.418  -5.505  17.828
  258   2HZ   LYS  36          2HZ       LYS  36   6.841  -5.033  18.220
  259   3HZ   LYS  36          3HZ       LYS  36   8.157  -4.327  19.013
  260    H    VAL  37           H        VAL  37   5.836   1.182  14.062
  261    HA   VAL  37           HA       VAL  37   3.311   1.635  12.612
  262    HB   VAL  37           HB       VAL  37   5.390   3.755  13.160
  263   1HG1  VAL  37          1HG1      VAL  37   2.644   3.822  11.926
  264   2HG1  VAL  37          2HG1      VAL  37   4.181   4.237  11.166
  265   3HG1  VAL  37          3HG1      VAL  37   3.520   5.265  12.438
  266   1HG2  VAL  37          1HG2      VAL  37   3.011   2.889  14.708
  267   2HG2  VAL  37          2HG2      VAL  37   3.303   4.622  14.561
  268   3HG2  VAL  37          3HG2      VAL  37   4.538   3.576  15.264
  269    H    HIS  38           H        HIS  38   3.444   1.151  10.535
  270    HA   HIS  38           HA       HIS  38   6.103   1.130   9.265
  271   1HB   HIS  38          2HB       HIS  38   5.027  -1.052   9.278
  272   2HB   HIS  38          1HB       HIS  38   3.607  -0.374   8.497
  273    HD1  HIS  38           HD1      HIS  38   6.504  -2.249   7.708
  274    HD2  HIS  38           HD2      HIS  38   4.445   0.841   5.842
  275    HE1  HIS  38           HE1      HIS  38   7.194  -2.344   5.291
  276    HE2  HIS  38           HE2      HIS  38   5.874  -0.516   4.167
  277    H    THR  39           H        THR  39   6.447   2.118   7.359
  278    HA   THR  39           HA       THR  39   4.306   3.910   6.413
  279    HB   THR  39           HB       THR  39   7.259   4.371   6.026
  280    HG1  THR  39           HG1      THR  39   5.586   5.143   8.167
  281   1HG2  THR  39          1HG2      THR  39   6.586   6.722   5.821
  282   2HG2  THR  39          2HG2      THR  39   4.896   6.229   5.937
  283   3HG2  THR  39          3HG2      THR  39   5.878   5.701   4.570
  284    H    VAL  40           H        VAL  40   3.705   3.824   4.328
  285    HA   VAL  40           HA       VAL  40   5.207   2.003   2.561
  286    HB   VAL  40           HB       VAL  40   2.274   2.688   2.367
  287   1HG1  VAL  40          1HG1      VAL  40   2.116   1.015   0.729
  288   2HG1  VAL  40          2HG1      VAL  40   3.713   0.370   1.113
  289   3HG1  VAL  40          3HG1      VAL  40   3.563   1.932   0.308
  290   1HG2  VAL  40          1HG2      VAL  40   3.385   0.082   3.359
  291   2HG2  VAL  40          2HG2      VAL  40   1.733   0.690   3.466
  292   3HG2  VAL  40          3HG2      VAL  40   3.003   1.411   4.454
  293    H    VAL  41           H        VAL  41   5.695   2.632   0.499
  294    HA   VAL  41           HA       VAL  41   5.454   5.484  -0.058
  295    HB   VAL  41           HB       VAL  41   6.945   3.415  -1.674
  296   1HG1  VAL  41          1HG1      VAL  41   7.035   5.169  -3.075
  297   2HG1  VAL  41          2HG1      VAL  41   8.262   5.774  -1.962
  298   3HG1  VAL  41          3HG1      VAL  41   6.592   6.325  -1.818
  299   1HG2  VAL  41          1HG2      VAL  41   7.770   3.407   0.625
  300   2HG2  VAL  41          2HG2      VAL  41   7.983   5.156   0.562
  301   3HG2  VAL  41          3HG2      VAL  41   8.957   4.111  -0.472
  302    H    LEU  42           H        LEU  42   3.949   6.267  -1.373
  303    HA   LEU  42           HA       LEU  42   2.297   4.442  -2.907
  304   1HB   LEU  42          2HB       LEU  42   2.014   7.431  -2.693
  305   2HB   LEU  42          1HB       LEU  42   0.793   6.276  -3.189
  306    HG   LEU  42           HG       LEU  42   1.901   6.677  -0.415
  307   1HD1  LEU  42          1HD1      LEU  42  -0.088   8.020  -1.661
  308   2HD1  LEU  42          2HD1      LEU  42  -0.012   7.742   0.079
  309   3HD1  LEU  42          3HD1      LEU  42  -0.988   6.685  -0.940
  310   1HD2  LEU  42          1HD2      LEU  42   0.546   4.361  -1.630
  311   2HD2  LEU  42          2HD2      LEU  42  -0.108   4.908  -0.086
  312   3HD2  LEU  42          3HD2      LEU  42   1.591   4.453  -0.212
  313    H    SER  43           H        SER  43   5.039   6.327  -3.488
  314    HA   SER  43           HA       SER  43   4.441   7.021  -6.215
  315   1HB   SER  43          2HB       SER  43   6.185   8.040  -4.427
  316   2HB   SER  43          1HB       SER  43   7.263   6.953  -5.302
  317    HG   SER  43           HG       SER  43   7.354   8.555  -6.666
  318    H    THR  44           H        THR  44   5.928   4.374  -4.522
  319    HA   THR  44           HA       THR  44   7.109   3.247  -6.897
  320    HB   THR  44           HB       THR  44   8.176   2.949  -4.699
  321    HG1  THR  44           HG1      THR  44   8.619   0.782  -4.966
  322   1HG2  THR  44          1HG2      THR  44   6.102   2.750  -3.353
  323   2HG2  THR  44          2HG2      THR  44   7.302   1.499  -3.025
  324   3HG2  THR  44          3HG2      THR  44   5.888   1.128  -4.012
  325    H    ILE  45           H        ILE  45   4.059   3.169  -5.371
  326    HA   ILE  45           HA       ILE  45   3.208   0.579  -6.144
  327    HB   ILE  45           HB       ILE  45   1.450   2.990  -5.707
  328   1HG1  ILE  45          2HG1      ILE  45   2.909   2.766  -3.789
  329   2HG1  ILE  45          1HG1      ILE  45   1.302   2.197  -3.352
  330   1HG2  ILE  45          1HG2      ILE  45   0.906   0.042  -5.383
  331   2HG2  ILE  45          2HG2      ILE  45   0.353   1.049  -6.721
  332   3HG2  ILE  45          3HG2      ILE  45  -0.238   1.351  -5.087
  333   1HD1  ILE  45          1HD1      ILE  45   2.158  -0.135  -3.850
  334   2HD1  ILE  45          2HD1      ILE  45   2.799   0.662  -2.413
  335   3HD1  ILE  45          3HD1      ILE  45   3.769   0.580  -3.884
  336    H    ASP  46           H        ASP  46   3.651   0.189  -8.292
  337    HA   ASP  46           HA       ASP  46   3.090   1.938 -10.418
  338   1HB   ASP  46          2HB       ASP  46   4.601  -0.055 -10.535
  339   2HB   ASP  46          1HB       ASP  46   3.172  -1.084 -10.528
  340    H    LYS  47           H        LYS  47   1.113  -0.340  -8.669
  341    HA   LYS  47           HA       LYS  47  -1.283   0.766  -9.765
  342   1HB   LYS  47          2HB       LYS  47  -0.165  -1.651 -10.953
  343   2HB   LYS  47          1HB       LYS  47  -1.795  -1.902 -10.342
  344   1HG   LYS  47          2HG       LYS  47  -2.668  -0.180 -11.724
  345   2HG   LYS  47          1HG       LYS  47  -1.050   0.358 -12.179
  346   1HD   LYS  47          2HD       LYS  47  -2.074  -0.945 -13.970
  347   2HD   LYS  47          1HD       LYS  47  -0.662  -1.774 -13.315
  348   1HE   LYS  47          2HE       LYS  47  -2.375  -3.404 -13.610
  349   2HE   LYS  47          1HE       LYS  47  -2.218  -3.107 -11.879
  350   1HZ   LYS  47          1HZ       LYS  47  -4.446  -2.936 -12.035
  351   2HZ   LYS  47          2HZ       LYS  47  -4.429  -2.509 -13.672
  352   3HZ   LYS  47          3HZ       LYS  47  -4.098  -1.344 -12.491
  353    H    LEU  48           H        LEU  48  -3.187   0.005  -8.691
  354    HA   LEU  48           HA       LEU  48  -2.596  -1.412  -6.176
  355   1HB   LEU  48          2HB       LEU  48  -4.392  -0.152  -5.142
  356   2HB   LEU  48          1HB       LEU  48  -3.198   0.931  -5.832
  357    HG   LEU  48           HG       LEU  48  -5.057   0.639  -7.869
  358   1HD1  LEU  48          1HD1      LEU  48  -6.427  -0.404  -5.874
  359   2HD1  LEU  48          2HD1      LEU  48  -7.188   0.663  -7.054
  360   3HD1  LEU  48          3HD1      LEU  48  -6.699   1.294  -5.481
  361   1HD2  LEU  48          1HD2      LEU  48  -3.793   2.659  -6.747
  362   2HD2  LEU  48          2HD2      LEU  48  -5.335   2.868  -5.919
  363   3HD2  LEU  48          3HD2      LEU  48  -5.269   2.907  -7.681
  364    H    GLN  49           H        GLN  49  -3.403  -3.394  -6.128
  365    HA   GLN  49           HA       GLN  49  -5.788  -4.003  -7.730
  366   1HB   GLN  49          2HB       GLN  49  -3.714  -5.337  -8.124
  367   2HB   GLN  49          1HB       GLN  49  -3.823  -5.926  -6.470
  368   1HG   GLN  49          2HG       GLN  49  -4.752  -7.628  -7.749
  369   2HG   GLN  49          1HG       GLN  49  -6.146  -6.762  -7.105
  370   1HE2  GLN  49          1HE2      GLN  49  -4.277  -7.494  -9.932
  371   2HE2  GLN  49          2HE2      GLN  49  -5.408  -6.891 -11.089
  372    H    ALA  50           H        ALA  50  -7.564  -5.047  -6.843
  373    HA   ALA  50           HA       ALA  50  -7.598  -5.414  -3.933
  374   1HB   ALA  50          1HB       ALA  50  -8.549  -3.147  -4.720
  375   2HB   ALA  50          2HB       ALA  50  -9.488  -4.109  -3.581
  376   3HB   ALA  50          3HB       ALA  50  -9.921  -4.097  -5.291
  377    H    THR  51           H        THR  51  -9.276  -6.822  -3.169
  378    HA   THR  51           HA       THR  51  -9.742  -9.027  -4.904
  379    HB   THR  51           HB       THR  51 -10.908 -10.029  -3.025
  380    HG1  THR  51           HG1      THR  51 -10.695  -7.518  -1.733
  381   1HG2  THR  51          1HG2      THR  51  -9.054  -8.887  -1.235
  382   2HG2  THR  51          2HG2      THR  51  -8.275  -8.990  -2.814
  383   3HG2  THR  51          3HG2      THR  51  -8.962 -10.435  -2.072
  384    HA   PRO  52           HA       PRO  52 -13.592  -7.910  -6.743
  385   1HB   PRO  52          2HB       PRO  52 -14.730 -10.356  -7.076
  386   2HB   PRO  52          1HB       PRO  52 -13.391  -9.773  -8.070
  387   1HG   PRO  52          2HG       PRO  52 -13.336 -11.610  -5.707
  388   2HG   PRO  52          1HG       PRO  52 -12.460 -11.738  -7.243
  389   1HD   PRO  52          2HD       PRO  52 -11.297 -10.814  -4.983
  390   2HD   PRO  52          1HD       PRO  52 -10.850 -10.217  -6.595
  391    H    ALA  53           H        ALA  53 -15.973  -8.158  -6.488
  392    HA   ALA  53           HA       ALA  53 -16.695  -7.869  -3.734
  393   1HB   ALA  53          1HB       ALA  53 -18.024  -7.501  -6.344
  394   2HB   ALA  53          2HB       ALA  53 -17.989  -6.453  -4.926
  395   3HB   ALA  53          3HB       ALA  53 -19.072  -7.844  -4.968
  396    H    SER  54           H        SER  54 -16.297 -10.579  -5.635
  397    HA   SER  54           HA       SER  54 -18.495 -12.094  -4.485
  398   1HB   SER  54          2HB       SER  54 -17.710 -12.369  -6.882
  399   2HB   SER  54          1HB       SER  54 -16.268 -13.147  -6.231
  400    HG   SER  54           HG       SER  54 -17.401 -14.893  -6.059
  401    H    SER  55           H        SER  55 -15.557 -11.141  -3.373
  402    HA   SER  55           HA       SER  55 -15.053 -13.649  -1.930
  403   1HB   SER  55          2HB       SER  55 -13.274 -12.100  -3.313
  404   2HB   SER  55          1HB       SER  55 -13.075 -11.481  -1.673
  405    HG   SER  55           HG       SER  55 -11.842 -13.478  -2.497
  406    H    GLU  56           H        GLU  56 -15.981 -13.717  -0.009
  407    HA   GLU  56           HA       GLU  56 -17.017 -11.542   1.396
  408   1HB   GLU  56          2HB       GLU  56 -17.647 -13.925   1.754
  409   2HB   GLU  56          1HB       GLU  56 -16.099 -14.179   2.552
  410   1HG   GLU  56          2HG       GLU  56 -16.732 -12.494   4.240
  411   2HG   GLU  56          1HG       GLU  56 -18.309 -12.352   3.466
  412    H    LYS  57           H        LYS  57 -13.795 -12.634   1.097
  413    HA   LYS  57           HA       LYS  57 -12.916 -11.300   3.538
  414   1HB   LYS  57          2HB       LYS  57 -11.408 -12.887   1.457
  415   2HB   LYS  57          1HB       LYS  57 -10.658 -12.147   2.864
  416   1HG   LYS  57          2HG       LYS  57 -12.079 -13.524   4.322
  417   2HG   LYS  57          1HG       LYS  57 -12.769 -14.294   2.893
  418   1HD   LYS  57          2HD       LYS  57 -11.070 -15.743   3.722
  419   2HD   LYS  57          1HD       LYS  57 -10.439 -14.983   2.259
  420   1HE   LYS  57          2HE       LYS  57  -9.039 -13.547   3.478
  421   2HE   LYS  57          1HE       LYS  57  -9.898 -13.853   4.987
  422   1HZ   LYS  57          1HZ       LYS  57  -8.167 -15.225   5.335
  423   2HZ   LYS  57          2HZ       LYS  57  -7.818 -15.410   3.691
  424   3HZ   LYS  57          3HZ       LYS  57  -9.067 -16.305   4.395
  425    H    MET  58           H        MET  58 -11.884  -9.385   3.609
  426    HA   MET  58           HA       MET  58 -11.670  -7.899   1.092
  427   1HB   MET  58          2HB       MET  58 -11.689  -6.970   3.967
  428   2HB   MET  58          1HB       MET  58 -11.477  -5.902   2.588
  429   1HG   MET  58          2HG       MET  58 -13.666  -5.710   2.403
  430   2HG   MET  58          1HG       MET  58 -13.790  -7.443   2.101
  431   1HE   MET  58          1HE       MET  58 -16.531  -7.684   4.107
  432   2HE   MET  58          2HE       MET  58 -15.417  -8.999   4.477
  433   3HE   MET  58          3HE       MET  58 -15.467  -8.319   2.851
  434    H    MET  59           H        MET  59  -9.750  -7.683   0.171
  435    HA   MET  59           HA       MET  59  -7.380  -7.244   1.789
  436   1HB   MET  59          2HB       MET  59  -7.504  -9.699   1.584
  437   2HB   MET  59          1HB       MET  59  -7.542  -9.546  -0.167
  438   1HG   MET  59          2HG       MET  59  -5.305  -8.320   0.093
  439   2HG   MET  59          1HG       MET  59  -5.281  -9.009   1.716
  440   1HE   MET  59          1HE       MET  59  -6.204 -12.548   0.910
  441   2HE   MET  59          2HE       MET  59  -5.982 -11.294   2.130
  442   3HE   MET  59          3HE       MET  59  -4.638 -12.353   1.698
  443    H    LEU  60           H        LEU  60  -6.084  -5.783   0.849
  444    HA   LEU  60           HA       LEU  60  -6.488  -5.241  -2.021
  445   1HB   LEU  60          2HB       LEU  60  -7.239  -3.432  -0.502
  446   2HB   LEU  60          1HB       LEU  60  -5.608  -3.317   0.132
  447    HG   LEU  60           HG       LEU  60  -4.861  -2.770  -2.233
  448   1HD1  LEU  60          1HD1      LEU  60  -7.105  -3.633  -3.159
  449   2HD1  LEU  60          2HD1      LEU  60  -6.400  -2.181  -3.868
  450   3HD1  LEU  60          3HD1      LEU  60  -7.724  -2.044  -2.712
  451   1HD2  LEU  60          1HD2      LEU  60  -4.783  -0.925  -0.897
  452   2HD2  LEU  60          2HD2      LEU  60  -6.480  -1.049  -0.435
  453   3HD2  LEU  60          3HD2      LEU  60  -6.043  -0.412  -2.020
  454    H    ARG  61           H        ARG  61  -4.812  -5.648  -3.293
  455    HA   ARG  61           HA       ARG  61  -2.152  -5.914  -2.072
  456   1HB   ARG  61          2HB       ARG  61  -3.098  -7.904  -3.235
  457   2HB   ARG  61          1HB       ARG  61  -3.118  -6.978  -4.730
  458   1HG   ARG  61          2HG       ARG  61  -0.692  -6.755  -4.638
  459   2HG   ARG  61          1HG       ARG  61  -0.663  -7.665  -3.126
  460   1HD   ARG  61          2HD       ARG  61  -1.779  -9.548  -4.380
  461   2HD   ARG  61          1HD       ARG  61  -1.460  -8.642  -5.859
  462    HE   ARG  61           HE       ARG  61   0.941  -8.875  -4.460
  463   1HH1  ARG  61          1HH1      ARG  61  -1.349 -10.928  -6.107
  464   2HH1  ARG  61          2HH1      ARG  61  -0.164 -12.111  -6.548
  465   1HH2  ARG  61          1HH2      ARG  61   2.503 -10.429  -5.038
  466   2HH2  ARG  61          2HH2      ARG  61   2.024 -11.828  -5.940
  467    H    LEU  62           H        LEU  62  -0.557  -4.571  -2.597
  468    HA   LEU  62           HA       LEU  62  -1.042  -2.654  -4.779
  469   1HB   LEU  62          2HB       LEU  62  -0.058  -2.372  -2.064
  470   2HB   LEU  62          1HB       LEU  62   1.062  -1.686  -3.226
  471    HG   LEU  62           HG       LEU  62  -0.808  -0.330  -4.158
  472   1HD1  LEU  62          1HD1      LEU  62  -2.297  -1.866  -2.124
  473   2HD1  LEU  62          2HD1      LEU  62  -2.828  -1.220  -3.677
  474   3HD1  LEU  62          3HD1      LEU  62  -2.702  -0.157  -2.276
  475   1HD2  LEU  62          1HD2      LEU  62  -0.792   0.375  -1.294
  476   2HD2  LEU  62          2HD2      LEU  62  -0.381   1.348  -2.707
  477   3HD2  LEU  62          3HD2      LEU  62   0.787   0.197  -2.058
  478    H    ILE  63           H        ILE  63   0.290  -2.596  -6.462
  479    HA   ILE  63           HA       ILE  63   2.573  -4.425  -6.480
  480    HB   ILE  63           HB       ILE  63   1.444  -2.927  -8.839
  481   1HG1  ILE  63          2HG1      ILE  63  -0.361  -4.244  -7.886
  482   2HG1  ILE  63          1HG1      ILE  63   0.207  -5.013  -9.365
  483   1HG2  ILE  63          1HG2      ILE  63   3.777  -4.251  -8.647
  484   2HG2  ILE  63          2HG2      ILE  63   2.838  -4.139 -10.136
  485   3HG2  ILE  63          3HG2      ILE  63   2.710  -5.574  -9.120
  486   1HD1  ILE  63          1HD1      ILE  63   1.664  -6.073  -7.163
  487   2HD1  ILE  63          2HD1      ILE  63   0.563  -6.894  -8.268
  488   3HD1  ILE  63          3HD1      ILE  63  -0.060  -6.139  -6.801
  489    H    GLY  64           H        GLY  64   4.590  -3.698  -6.292
  490   1HA   GLY  64          2HA       GLY  64   5.092  -0.843  -6.270
  491   2HA   GLY  64          1HA       GLY  64   6.240  -2.110  -5.863
  492    H    LYS  65           H        LYS  65   7.341  -0.215  -7.253
  493    HA   LYS  65           HA       LYS  65   7.047  -0.435 -10.080
  494   1HB   LYS  65          2HB       LYS  65   8.794   1.033  -8.204
  495   2HB   LYS  65          1HB       LYS  65   9.497   0.692  -9.780
  496   1HG   LYS  65          2HG       LYS  65   7.601   1.777 -10.866
  497   2HG   LYS  65          1HG       LYS  65   6.892   2.117  -9.285
  498   1HD   LYS  65          2HD       LYS  65   8.940   3.417  -8.720
  499   2HD   LYS  65          1HD       LYS  65   9.497   3.175 -10.378
  500   1HE   LYS  65          2HE       LYS  65   7.007   4.132 -10.819
  501   2HE   LYS  65          1HE       LYS  65   7.409   4.961  -9.316
  502   1HZ   LYS  65          1HZ       LYS  65   9.002   6.187 -10.312
  503   2HZ   LYS  65          2HZ       LYS  65   8.068   5.900 -11.693
  504   3HZ   LYS  65          3HZ       LYS  65   9.446   4.966 -11.396
  505    H    VAL  66           H        VAL  66   9.019  -0.927 -11.469
  506    HA   VAL  66           HA       VAL  66  10.404  -3.320 -10.448
  507    HB   VAL  66           HB       VAL  66   9.501  -2.989 -13.305
  508   1HG1  VAL  66          1HG1      VAL  66  10.577  -4.895 -13.717
  509   2HG1  VAL  66          2HG1      VAL  66   9.885  -5.679 -12.296
  510   3HG1  VAL  66          3HG1      VAL  66  11.344  -4.701 -12.141
  511   1HG2  VAL  66          1HG2      VAL  66   7.432  -3.231 -12.396
  512   2HG2  VAL  66          2HG2      VAL  66   8.042  -4.010 -10.936
  513   3HG2  VAL  66          3HG2      VAL  66   7.896  -4.931 -12.433
  514    H    ASP  67           H        ASP  67  11.255  -0.488 -10.647
  515    HA   ASP  67           HA       ASP  67  13.336  -0.640 -12.703
  516   1HB   ASP  67          2HB       ASP  67  12.387   1.656 -10.977
  517   2HB   ASP  67          1HB       ASP  67  13.725   1.766 -12.115
  518    H    GLU  68           H        GLU  68  15.304  -1.297 -12.174
  519    HA   GLU  68           HA       GLU  68  16.208  -0.936  -9.392
  520   1HB   GLU  68          2HB       GLU  68  16.797  -3.239 -11.262
  521   2HB   GLU  68          1HB       GLU  68  17.539  -3.015  -9.684
  522   1HG   GLU  68          2HG       GLU  68  15.324  -3.172  -8.638
  523   2HG   GLU  68          1HG       GLU  68  14.610  -3.449 -10.226
  524    H    SER  69           H        SER  69  16.610   0.965 -11.426
  525    HA   SER  69           HA       SER  69  19.390   0.630 -12.252
  526   1HB   SER  69          2HB       SER  69  17.123   2.325 -13.134
  527   2HB   SER  69          1HB       SER  69  18.729   3.043 -13.254
  528    HG   SER  69           HG       SER  69  18.885   1.929 -15.022
  529    H    LYS  70           H        LYS  70  17.466   2.293  -9.937
  530    HA   LYS  70           HA       LYS  70  19.235   4.425  -9.348
  531   1HB   LYS  70          2HB       LYS  70  17.928   4.708  -7.313
  532   2HB   LYS  70          1HB       LYS  70  16.865   4.428  -8.686
  533   1HG   LYS  70          2HG       LYS  70  16.690   2.051  -8.001
  534   2HG   LYS  70          1HG       LYS  70  17.637   2.439  -6.564
  535   1HD   LYS  70          2HD       LYS  70  15.890   4.171  -6.019
  536   2HD   LYS  70          1HD       LYS  70  14.916   3.488  -7.323
  537   1HE   LYS  70          2HE       LYS  70  14.992   1.299  -6.194
  538   2HE   LYS  70          1HE       LYS  70  15.908   2.028  -4.875
  539   1HZ   LYS  70          1HZ       LYS  70  14.089   3.186  -4.132
  540   2HZ   LYS  70          2HZ       LYS  70  13.347   1.773  -4.693
  541   3HZ   LYS  70          3HZ       LYS  70  13.311   3.176  -5.634
  542    H    LYS  71           H        LYS  71  18.865   1.158  -8.055
  543    HA   LYS  71           HA       LYS  71  21.095   1.576  -6.221
  544   1HB   LYS  71          2HB       LYS  71  18.866  -0.322  -6.435
  545   2HB   LYS  71          1HB       LYS  71  20.389  -1.066  -5.970
  546   1HG   LYS  71          2HG       LYS  71  19.303  -0.512  -3.964
  547   2HG   LYS  71          1HG       LYS  71  20.562   0.708  -4.179
  548   1HD   LYS  71          2HD       LYS  71  18.918   2.279  -5.041
  549   2HD   LYS  71          1HD       LYS  71  17.654   1.056  -4.909
  550   1HE   LYS  71          2HE       LYS  71  18.269   0.961  -2.426
  551   2HE   LYS  71          1HE       LYS  71  19.139   2.467  -2.714
  552   1HZ   LYS  71          1HZ       LYS  71  16.238   1.951  -2.907
  553   2HZ   LYS  71          2HZ       LYS  71  16.940   3.272  -3.695
  554   3HZ   LYS  71          3HZ       LYS  71  17.046   3.139  -2.012
  555    H    ARG  72           H        ARG  72  23.029   0.456  -6.318
  556    HA   ARG  72           HA       ARG  72  23.610  -0.779  -8.923
  557   1HB   ARG  72          2HB       ARG  72  25.935  -0.178  -8.549
  558   2HB   ARG  72          1HB       ARG  72  24.914   1.243  -8.387
  559   1HG   ARG  72          2HG       ARG  72  24.982   0.885  -5.903
  560   2HG   ARG  72          1HG       ARG  72  26.210  -0.349  -6.191
  561   1HD   ARG  72          2HD       ARG  72  27.580   1.362  -7.355
  562   2HD   ARG  72          1HD       ARG  72  26.379   2.573  -6.917
  563    HE   ARG  72           HE       ARG  72  27.220   1.244  -4.594
  564   1HH1  ARG  72          1HH1      ARG  72  28.438   3.472  -6.988
  565   2HH1  ARG  72          2HH1      ARG  72  29.556   4.226  -5.901
  566   1HH2  ARG  72          1HH2      ARG  72  28.691   2.233  -3.162
  567   2HH2  ARG  72          2HH2      ARG  72  29.700   3.522  -3.729
  568    H    LYS  73           H        LYS  73  24.001  -2.886  -8.997
  569    HA   LYS  73           HA       LYS  73  24.125  -4.424  -6.564
  570   1HB   LYS  73          2HB       LYS  73  23.148  -4.929  -9.065
  571   2HB   LYS  73          1HB       LYS  73  24.669  -5.809  -9.104
  572   1HG   LYS  73          2HG       LYS  73  24.013  -7.012  -7.070
  573   2HG   LYS  73          1HG       LYS  73  22.473  -6.149  -7.073
  574   1HD   LYS  73          2HD       LYS  73  22.086  -7.089  -9.382
  575   2HD   LYS  73          1HD       LYS  73  23.496  -8.115  -9.113
  576   1HE   LYS  73          2HE       LYS  73  22.393  -9.473  -7.693
  577   2HE   LYS  73          1HE       LYS  73  21.499  -8.145  -6.956
  578   1HZ   LYS  73          1HZ       LYS  73  20.771  -8.792  -9.691
  579   2HZ   LYS  73          2HZ       LYS  73  19.788  -8.399  -8.373
  580   3HZ   LYS  73          3HZ       LYS  73  20.389  -9.970  -8.539
  581    H    ASP  74           H        ASP  74  25.779  -6.281  -6.501
  582    HA   ASP  74           HA       ASP  74  28.431  -5.110  -6.964
  583   1HB   ASP  74          2HB       ASP  74  27.518  -7.214  -4.997
  584   2HB   ASP  74          1HB       ASP  74  29.198  -6.741  -5.223
  585    H    ASN  75           H        ASN  75  26.380  -7.749  -7.778
  586    HA   ASN  75           HA       ASN  75  26.579  -9.343  -9.402
  587   1HB   ASN  75          2HB       ASN  75  28.103  -7.570 -10.489
  588   2HB   ASN  75          1HB       ASN  75  29.438  -8.536  -9.870
  589   1HD2  ASN  75          1HD2      ASN  75  30.019  -8.795 -12.105
  590   2HD2  ASN  75          2HD2      ASN  75  29.239 -10.005 -13.059
  591    H    GLU  76           H        GLU  76  28.195  -9.234  -6.563
  592    HA   GLU  76           HA       GLU  76  29.615 -11.761  -6.929
  593   1HB   GLU  76          2HB       GLU  76  29.542  -9.853  -4.586
  594   2HB   GLU  76          1HB       GLU  76  30.486 -11.335  -4.643
  595   1HG   GLU  76          2HG       GLU  76  31.726 -10.440  -6.571
  596   2HG   GLU  76          1HG       GLU  76  30.812  -8.939  -6.434
  597    H    GLY  77           H        GLY  77  26.811 -11.871  -7.088
  598   1HA   GLY  77          2HA       GLY  77  25.186 -13.340  -6.358
  599   2HA   GLY  77          1HA       GLY  77  26.296 -13.880  -5.109
  600    H    ASN  78           H        ASN  78  25.469 -10.514  -5.473
  601    HA   ASN  78           HA       ASN  78  24.112 -10.631  -2.874
  602   1HB   ASN  78          2HB       ASN  78  25.377  -8.317  -4.355
  603   2HB   ASN  78          1HB       ASN  78  24.516  -8.161  -2.827
  604   1HD2  ASN  78          1HD2      ASN  78  27.105  -7.345  -3.047
  605   2HD2  ASN  78          2HD2      ASN  78  28.132  -8.397  -2.138
  606    H    GLU  79           H        GLU  79  21.974 -10.588  -2.880
  607    HA   GLU  79           HA       GLU  79  20.593  -8.953  -4.893
  608   1HB   GLU  79          2HB       GLU  79  19.794 -11.740  -4.033
  609   2HB   GLU  79          1HB       GLU  79  18.850 -10.693  -5.085
  610   1HG   GLU  79          2HG       GLU  79  20.703 -10.705  -6.710
  611   2HG   GLU  79          1HG       GLU  79  21.575 -11.829  -5.668
  612    H    VAL  80           H        VAL  80  19.500  -7.422  -3.868
  613    HA   VAL  80           HA       VAL  80  18.675  -7.811  -1.104
  614    HB   VAL  80           HB       VAL  80  17.984  -5.403  -1.247
  615   1HG1  VAL  80          1HG1      VAL  80  20.095  -4.677  -0.767
  616   2HG1  VAL  80          2HG1      VAL  80  20.818  -5.522  -2.136
  617   3HG1  VAL  80          3HG1      VAL  80  20.359  -6.419  -0.688
  618   1HG2  VAL  80          1HG2      VAL  80  17.645  -5.449  -3.735
  619   2HG2  VAL  80          2HG2      VAL  80  19.400  -5.429  -3.905
  620   3HG2  VAL  80          3HG2      VAL  80  18.574  -4.076  -3.135
  621    H    VAL  81           H        VAL  81  17.257  -7.385  -4.292
  622    HA   VAL  81           HA       VAL  81  14.858  -8.670  -3.632
  623    HB   VAL  81           HB       VAL  81  14.384  -6.660  -2.313
  624   1HG1  VAL  81          1HG1      VAL  81  14.665  -4.548  -3.024
  625   2HG1  VAL  81          2HG1      VAL  81  14.044  -4.900  -4.637
  626   3HG1  VAL  81          3HG1      VAL  81  15.718  -5.282  -4.233
  627   1HG2  VAL  81          1HG2      VAL  81  12.611  -7.936  -3.639
  628   2HG2  VAL  81          2HG2      VAL  81  12.628  -6.565  -4.747
  629   3HG2  VAL  81          3HG2      VAL  81  12.186  -6.328  -3.057
  630    HA   PRO  82           HA       PRO  82  15.829  -7.844  -8.140
  631   1HB   PRO  82          2HB       PRO  82  16.310 -10.395  -8.872
  632   2HB   PRO  82          1HB       PRO  82  17.566  -9.360  -8.181
  633   1HG   PRO  82          2HG       PRO  82  15.910 -11.473  -6.855
  634   2HG   PRO  82          1HG       PRO  82  17.645 -11.147  -6.694
  635   1HD   PRO  82          2HD       PRO  82  15.801 -10.317  -4.872
  636   2HD   PRO  82          1HD       PRO  82  17.315  -9.445  -5.187
  637    H    LYS  83           H        LYS  83  13.336  -7.620  -7.323
  638    HA   LYS  83           HA       LYS  83  11.789  -8.795  -9.340
  639   1HB   LYS  83          2HB       LYS  83  11.968 -10.308  -6.818
  640   2HB   LYS  83          1HB       LYS  83  10.328 -10.019  -7.385
  641   1HG   LYS  83          2HG       LYS  83  11.507 -10.846  -9.672
  642   2HG   LYS  83          1HG       LYS  83  12.429 -11.756  -8.475
  643   1HD   LYS  83          2HD       LYS  83  10.030 -12.253  -7.502
  644   2HD   LYS  83          1HD       LYS  83   9.533 -11.898  -9.158
  645   1HE   LYS  83          2HE       LYS  83   9.877 -14.216  -9.123
  646   2HE   LYS  83          1HE       LYS  83  11.331 -13.559  -9.875
  647   1HZ   LYS  83          1HZ       LYS  83  11.102 -14.308  -7.010
  648   2HZ   LYS  83          2HZ       LYS  83  12.500 -13.784  -7.802
  649   3HZ   LYS  83          3HZ       LYS  83  11.809 -15.273  -8.207
  650    HA   PRO  84           HA       PRO  84   9.095  -5.447  -8.401
  651   1HB   PRO  84          2HB       PRO  84   6.844  -7.382  -8.677
  652   2HB   PRO  84          1HB       PRO  84   7.102  -5.831  -9.485
  653   1HG   PRO  84          2HG       PRO  84   7.497  -8.117 -10.787
  654   2HG   PRO  84          1HG       PRO  84   8.575  -6.730 -11.035
  655   1HD   PRO  84          2HD       PRO  84   9.031  -9.232  -9.472
  656   2HD   PRO  84          1HD       PRO  84  10.175  -8.279 -10.441
  657    H    GLN  85           H        GLN  85   8.699  -4.618  -6.455
  658    HA   GLN  85           HA       GLN  85   8.165  -6.351  -4.203
  659   1HB   GLN  85          2HB       GLN  85   8.410  -4.344  -2.848
  660   2HB   GLN  85          1HB       GLN  85   9.737  -4.467  -3.994
  661   1HG   GLN  85          2HG       GLN  85   8.461  -2.884  -5.474
  662   2HG   GLN  85          1HG       GLN  85   7.356  -2.640  -4.122
  663   1HE2  GLN  85          1HE2      GLN  85  10.294  -1.752  -5.544
  664   2HE2  GLN  85          2HE2      GLN  85  10.872  -0.718  -4.287
  665    H    ARG  86           H        ARG  86   6.181  -6.953  -3.670
  666    HA   ARG  86           HA       ARG  86   3.955  -5.102  -4.219
  667   1HB   ARG  86          2HB       ARG  86   3.921  -8.124  -4.228
  668   2HB   ARG  86          1HB       ARG  86   2.512  -7.096  -4.451
  669   1HG   ARG  86          2HG       ARG  86   3.546  -6.163  -6.482
  670   2HG   ARG  86          1HG       ARG  86   4.907  -7.265  -6.268
  671   1HD   ARG  86          2HD       ARG  86   3.287  -9.162  -6.366
  672   2HD   ARG  86          1HD       ARG  86   2.027  -7.998  -6.772
  673    HE   ARG  86           HE       ARG  86   2.866  -7.878  -8.902
  674   1HH1  ARG  86          1HH1      ARG  86   5.210  -9.442  -6.842
  675   2HH1  ARG  86          2HH1      ARG  86   6.239  -9.907  -8.154
  676   1HH2  ARG  86          1HH2      ARG  86   4.218  -8.490 -10.630
  677   2HH2  ARG  86          2HH2      ARG  86   5.677  -9.365 -10.305
  678    H    HIS  87           H        HIS  87   2.518  -4.685  -2.613
  679    HA   HIS  87           HA       HIS  87   3.084  -5.910   0.004
  680   1HB   HIS  87          2HB       HIS  87   2.212  -3.149  -0.786
  681   2HB   HIS  87          1HB       HIS  87   1.850  -3.764   0.823
  682    HD1  HIS  87           HD1      HIS  87   3.579  -3.259   2.510
  683    HD2  HIS  87           HD2      HIS  87   5.162  -3.374  -1.330
  684    HE1  HIS  87           HE1      HIS  87   6.002  -2.635   2.764
  685    HE2  HIS  87           HE2      HIS  87   6.960  -2.797   0.439
  686    H    MET  88           H        MET  88   1.609  -7.334   0.626
  687    HA   MET  88           HA       MET  88  -1.105  -7.157  -0.450
  688   1HB   MET  88          2HB       MET  88   0.329  -9.358   1.046
  689   2HB   MET  88          1HB       MET  88  -1.356  -9.446   0.548
  690   1HG   MET  88          2HG       MET  88  -0.613  -9.149  -1.803
  691   2HG   MET  88          1HG       MET  88   1.054  -9.241  -1.239
  692   1HE   MET  88          1HE       MET  88   1.492 -12.804  -0.018
  693   2HE   MET  88          2HE       MET  88   0.600 -11.787   1.115
  694   3HE   MET  88          3HE       MET  88   1.934 -11.107   0.182
  695    H    PHE  89           H        PHE  89  -2.485  -5.981   0.699
  696    HA   PHE  89           HA       PHE  89  -2.241  -5.950   3.625
  697   1HB   PHE  89          2HB       PHE  89  -3.543  -4.062   1.671
  698   2HB   PHE  89          1HB       PHE  89  -3.858  -3.980   3.401
  699    HD1  PHE  89           HD1      PHE  89  -1.749  -2.923   0.769
  700    HD2  PHE  89           HD2      PHE  89  -1.800  -3.772   4.937
  701    HE1  PHE  89           HE1      PHE  89   0.273  -1.556   1.065
  702    HE2  PHE  89           HE2      PHE  89   0.224  -2.402   5.244
  703    HZ   PHE  89           HZ       PHE  89   1.263  -1.293   3.306
  704    H    SER  90           H        SER  90  -3.941  -6.461   4.956
  705    HA   SER  90           HA       SER  90  -6.226  -7.789   3.646
  706   1HB   SER  90          2HB       SER  90  -5.868  -8.506   6.440
  707   2HB   SER  90          1HB       SER  90  -5.954  -9.547   5.021
  708    HG   SER  90           HG       SER  90  -3.834  -9.592   4.904
  709    H    PHE  91           H        PHE  91  -8.138  -6.840   3.891
  710    HA   PHE  91           HA       PHE  91  -8.430  -4.804   5.971
  711   1HB   PHE  91          2HB       PHE  91  -9.725  -5.281   3.320
  712   2HB   PHE  91          1HB       PHE  91 -10.580  -4.344   4.542
  713    HD1  PHE  91           HD1      PHE  91  -7.570  -4.496   2.445
  714    HD2  PHE  91           HD2      PHE  91  -9.923  -2.149   5.096
  715    HE1  PHE  91           HE1      PHE  91  -6.273  -2.507   1.813
  716    HE2  PHE  91           HE2      PHE  91  -8.631  -0.141   4.471
  717    HZ   PHE  91           HZ       PHE  91  -6.803  -0.320   2.826
  718    H    ASN  92           H        ASN  92 -10.154  -4.743   7.361
  719    HA   ASN  92           HA       ASN  92 -11.531  -7.306   7.732
  720   1HB   ASN  92          2HB       ASN  92 -11.089  -5.014   9.660
  721   2HB   ASN  92          1HB       ASN  92 -11.969  -6.492  10.038
  722   1HD2  ASN  92          1HD2      ASN  92  -9.803  -5.692  11.518
  723   2HD2  ASN  92          2HD2      ASN  92  -8.494  -6.790  11.264
  724    H    ASN  93           H        ASN  93 -12.131  -4.643   6.070
  725    HA   ASN  93           HA       ASN  93 -14.967  -4.932   6.303
  726   1HB   ASN  93          2HB       ASN  93 -14.181  -3.289   8.163
  727   2HB   ASN  93          1HB       ASN  93 -13.994  -2.149   6.833
  728   1HD2  ASN  93          1HD2      ASN  93 -15.658  -0.856   6.647
  729   2HD2  ASN  93          2HD2      ASN  93 -17.312  -1.265   6.929
  730    H    ARG  94           H        ARG  94 -15.968  -4.473   4.443
  731    HA   ARG  94           HA       ARG  94 -14.460  -3.906   2.127
  732   1HB   ARG  94          2HB       ARG  94 -17.450  -3.820   2.573
  733   2HB   ARG  94          1HB       ARG  94 -16.672  -3.750   0.999
  734   1HG   ARG  94          2HG       ARG  94 -15.679  -5.978   1.447
  735   2HG   ARG  94          1HG       ARG  94 -16.612  -6.045   2.943
  736   1HD   ARG  94          2HD       ARG  94 -18.669  -5.666   1.511
  737   2HD   ARG  94          1HD       ARG  94 -17.635  -5.971   0.115
  738    HE   ARG  94           HE       ARG  94 -17.406  -8.060   2.017
  739   1HH1  ARG  94          1HH1      ARG  94 -19.537  -6.794  -0.439
  740   2HH1  ARG  94          2HH1      ARG  94 -20.263  -8.328  -0.777
  741   1HH2  ARG  94          1HH2      ARG  94 -18.360 -10.080   1.575
  742   2HH2  ARG  94          2HH2      ARG  94 -19.597 -10.195   0.366
  743    H    THR  95           H        THR  95 -16.572  -1.913   4.158
  744    HA   THR  95           HA       THR  95 -16.574   0.368   2.562
  745    HB   THR  95           HB       THR  95 -16.646   0.673   5.496
  746    HG1  THR  95           HG1      THR  95 -18.615  -0.422   5.651
  747   1HG2  THR  95          1HG2      THR  95 -18.682   1.331   3.403
  748   2HG2  THR  95          2HG2      THR  95 -17.420   2.433   3.950
  749   3HG2  THR  95          3HG2      THR  95 -18.663   1.884   5.075
  750    H    VAL  96           H        VAL  96 -14.425  -0.755   5.079
  751    HA   VAL  96           HA       VAL  96 -12.825   1.593   5.140
  752    HB   VAL  96           HB       VAL  96 -12.155  -1.184   6.115
  753   1HG1  VAL  96          1HG1      VAL  96 -10.094  -0.158   6.038
  754   2HG1  VAL  96          2HG1      VAL  96 -10.637   0.277   7.659
  755   3HG1  VAL  96          3HG1      VAL  96 -10.761   1.445   6.343
  756   1HG2  VAL  96          1HG2      VAL  96 -14.148   0.385   7.053
  757   2HG2  VAL  96          2HG2      VAL  96 -12.797   0.944   8.040
  758   3HG2  VAL  96          3HG2      VAL  96 -13.243  -0.761   8.040
  759    H    MET  97           H        MET  97 -12.739  -1.440   3.435
  760    HA   MET  97           HA       MET  97 -10.135  -1.014   2.314
  761   1HB   MET  97          2HB       MET  97 -10.315  -3.110   1.454
  762   2HB   MET  97          1HB       MET  97 -11.591  -3.235   2.653
  763   1HG   MET  97          2HG       MET  97 -13.265  -2.796   0.969
  764   2HG   MET  97          1HG       MET  97 -12.015  -2.544  -0.247
  765   1HE   MET  97          1HE       MET  97 -10.162  -4.109  -0.485
  766   2HE   MET  97          2HE       MET  97 -10.693  -5.554  -1.345
  767   3HE   MET  97          3HE       MET  97 -10.066  -5.685   0.299
  768    H    ASP  98           H        ASP  98 -13.430  -0.322   1.378
  769    HA   ASP  98           HA       ASP  98 -12.758   0.396  -1.306
  770   1HB   ASP  98          2HB       ASP  98 -15.009  -0.451  -0.659
  771   2HB   ASP  98          1HB       ASP  98 -15.269   1.037   0.245
  772    H    ASN  99           H        ASN  99 -12.978   1.998   1.750
  773    HA   ASN  99           HA       ASN  99 -13.078   4.652   0.738
  774   1HB   ASN  99          2HB       ASN  99 -12.395   3.508   3.437
  775   2HB   ASN  99          1HB       ASN  99 -12.325   5.237   3.110
  776   1HD2  ASN  99          1HD2      ASN  99 -13.976   4.199   5.042
  777   2HD2  ASN  99          2HD2      ASN  99 -15.623   4.394   4.557
  778    H    ILE 100           H        ILE 100 -10.556   2.416   1.544
  779    HA   ILE 100           HA       ILE 100  -8.451   4.388   1.270
  780    HB   ILE 100           HB       ILE 100  -8.262   1.392   1.614
  781   1HG1  ILE 100          2HG1      ILE 100  -9.344   2.662   3.501
  782   2HG1  ILE 100          1HG1      ILE 100  -7.876   1.797   3.943
  783   1HG2  ILE 100          1HG2      ILE 100  -5.926   1.879   2.303
  784   2HG2  ILE 100          2HG2      ILE 100  -6.162   3.545   1.776
  785   3HG2  ILE 100          3HG2      ILE 100  -6.256   2.229   0.606
  786   1HD1  ILE 100          1HD1      ILE 100  -6.627   3.780   4.067
  787   2HD1  ILE 100          2HD1      ILE 100  -8.158   4.130   4.871
  788   3HD1  ILE 100          3HD1      ILE 100  -7.869   4.711   3.231
  789    H    LYS 101           H        LYS 101  -9.650   1.554  -0.488
  790    HA   LYS 101           HA       LYS 101  -7.752   1.510  -2.532
  791   1HB   LYS 101          2HB       LYS 101  -9.397  -0.288  -2.097
  792   2HB   LYS 101          1HB       LYS 101 -10.672   0.751  -2.719
  793   1HG   LYS 101          2HG       LYS 101  -9.614   0.768  -4.909
  794   2HG   LYS 101          1HG       LYS 101  -8.300  -0.233  -4.292
  795   1HD   LYS 101          2HD       LYS 101  -9.782  -1.702  -5.411
  796   2HD   LYS 101          1HD       LYS 101 -10.058  -1.945  -3.686
  797   1HE   LYS 101          2HE       LYS 101 -12.172  -1.848  -4.862
  798   2HE   LYS 101          1HE       LYS 101 -12.003  -0.449  -3.804
  799   1HZ   LYS 101          1HZ       LYS 101 -12.770  -0.239  -6.310
  800   2HZ   LYS 101          2HZ       LYS 101 -11.099  -0.148  -6.561
  801   3HZ   LYS 101          3HZ       LYS 101 -11.863   0.968  -5.545
  802    H    MET 102           H        MET 102 -10.786   3.313  -2.265
  803    HA   MET 102           HA       MET 102 -10.641   4.406  -4.889
  804   1HB   MET 102          2HB       MET 102 -12.220   5.290  -2.473
  805   2HB   MET 102          1HB       MET 102 -12.432   5.936  -4.094
  806   1HG   MET 102          2HG       MET 102 -12.618   3.007  -3.819
  807   2HG   MET 102          1HG       MET 102 -13.912   3.953  -3.085
  808   1HE   MET 102          1HE       MET 102 -16.034   5.231  -5.427
  809   2HE   MET 102          2HE       MET 102 -14.719   6.374  -5.696
  810   3HE   MET 102          3HE       MET 102 -15.019   5.742  -4.077
  811    H    THR 103           H        THR 103  -9.657   5.505  -1.720
  812    HA   THR 103           HA       THR 103  -8.915   8.113  -2.572
  813    HB   THR 103           HB       THR 103  -8.907   6.583  -0.091
  814    HG1  THR 103           HG1      THR 103  -8.930   9.363  -0.632
  815   1HG2  THR 103          1HG2      THR 103  -6.481   6.835  -0.228
  816   2HG2  THR 103          2HG2      THR 103  -7.179   7.798   1.073
  817   3HG2  THR 103          3HG2      THR 103  -6.681   8.575  -0.430
  818    H    LEU 104           H        LEU 104  -7.268   5.040  -2.201
  819    HA   LEU 104           HA       LEU 104  -4.643   6.022  -2.645
  820   1HB   LEU 104          2HB       LEU 104  -5.923   3.312  -2.795
  821   2HB   LEU 104          1HB       LEU 104  -4.273   3.543  -3.342
  822    HG   LEU 104           HG       LEU 104  -5.285   4.114  -0.555
  823   1HD1  LEU 104          1HD1      LEU 104  -4.267   2.139   0.145
  824   2HD1  LEU 104          2HD1      LEU 104  -3.346   1.973  -1.349
  825   3HD1  LEU 104          3HD1      LEU 104  -5.084   1.684  -1.351
  826   1HD2  LEU 104          1HD2      LEU 104  -2.547   4.317  -1.793
  827   2HD2  LEU 104          2HD2      LEU 104  -2.845   4.319  -0.055
  828   3HD2  LEU 104          3HD2      LEU 104  -3.497   5.611  -1.063
  829    H    GLN 105           H        GLN 105  -7.265   5.013  -4.731
  830    HA   GLN 105           HA       GLN 105  -5.764   4.756  -7.109
  831   1HB   GLN 105          2HB       GLN 105  -8.686   5.336  -6.638
  832   2HB   GLN 105          1HB       GLN 105  -8.000   5.082  -8.237
  833   1HG   GLN 105          2HG       GLN 105  -7.266   2.961  -6.419
  834   2HG   GLN 105          1HG       GLN 105  -9.015   3.154  -6.525
  835   1HE2  GLN 105          1HE2      GLN 105 -10.018   2.963  -8.577
  836   2HE2  GLN 105          2HE2      GLN 105  -9.266   2.068  -9.849
  837    H    GLN 106           H        GLN 106  -7.299   7.463  -5.532
  838    HA   GLN 106           HA       GLN 106  -7.092   9.296  -7.664
  839   1HB   GLN 106          2HB       GLN 106  -7.128   9.804  -4.681
  840   2HB   GLN 106          1HB       GLN 106  -7.334  11.041  -5.913
  841   1HG   GLN 106          2HG       GLN 106  -9.158   8.695  -5.438
  842   2HG   GLN 106          1HG       GLN 106  -9.467  10.368  -4.975
  843   1HE2  GLN 106          1HE2      GLN 106 -10.502   8.213  -7.021
  844   2HE2  GLN 106          2HE2      GLN 106 -10.791   9.167  -8.432
  845    H    ILE 107           H        ILE 107  -4.911   8.450  -5.016
  846    HA   ILE 107           HA       ILE 107  -2.960  10.406  -5.439
  847    HB   ILE 107           HB       ILE 107  -2.609   7.562  -4.475
  848   1HG1  ILE 107          2HG1      ILE 107  -2.787  10.093  -2.841
  849   2HG1  ILE 107          1HG1      ILE 107  -4.190   9.097  -3.207
  850   1HG2  ILE 107          1HG2      ILE 107  -0.722   9.535  -3.487
  851   2HG2  ILE 107          2HG2      ILE 107  -0.625   9.317  -5.234
  852   3HG2  ILE 107          3HG2      ILE 107  -0.437   7.930  -4.161
  853   1HD1  ILE 107          1HD1      ILE 107  -3.713   8.043  -1.311
  854   2HD1  ILE 107          2HD1      ILE 107  -2.083   8.714  -1.244
  855   3HD1  ILE 107          3HD1      ILE 107  -2.406   7.276  -2.213
  856    H    ILE 108           H        ILE 108  -3.385   7.203  -6.864
  857    HA   ILE 108           HA       ILE 108  -1.091   6.986  -8.403
  858    HB   ILE 108           HB       ILE 108  -3.783   6.196  -9.473
  859   1HG1  ILE 108          2HG1      ILE 108  -3.960   5.381  -7.286
  860   2HG1  ILE 108          1HG1      ILE 108  -3.371   4.005  -8.211
  861   1HG2  ILE 108          1HG2      ILE 108  -2.168   5.698 -11.033
  862   2HG2  ILE 108          2HG2      ILE 108  -2.339   4.175 -10.157
  863   3HG2  ILE 108          3HG2      ILE 108  -0.976   5.242  -9.815
  864   1HD1  ILE 108          1HD1      ILE 108  -1.755   3.798  -6.718
  865   2HD1  ILE 108          2HD1      ILE 108  -2.214   5.314  -5.941
  866   3HD1  ILE 108          3HD1      ILE 108  -1.089   5.326  -7.299
  867    H    SER 109           H        SER 109  -4.192   8.327  -9.282
  868    HA   SER 109           HA       SER 109  -3.635   9.183 -11.853
  869   1HB   SER 109          2HB       SER 109  -5.442  10.567  -9.862
  870   2HB   SER 109          1HB       SER 109  -5.516  10.724 -11.617
  871    HG   SER 109           HG       SER 109  -6.528   8.781 -10.005
  872    H    ARG 110           H        ARG 110  -2.746  10.624  -8.827
  873    HA   ARG 110           HA       ARG 110  -2.051  13.169  -9.868
  874   1HB   ARG 110          2HB       ARG 110  -1.145  11.813  -7.328
  875   2HB   ARG 110          1HB       ARG 110  -0.894  13.510  -7.713
  876   1HG   ARG 110          2HG       ARG 110  -3.377  13.763  -7.843
  877   2HG   ARG 110          1HG       ARG 110  -3.513  12.114  -7.230
  878   1HD   ARG 110          2HD       ARG 110  -2.170  12.812  -5.251
  879   2HD   ARG 110          1HD       ARG 110  -2.236  14.469  -5.849
  880    HE   ARG 110           HE       ARG 110  -4.815  13.224  -5.541
  881   1HH1  ARG 110          1HH1      ARG 110  -2.305  15.070  -3.964
  882   2HH1  ARG 110          2HH1      ARG 110  -3.371  15.732  -2.771
  883   1HH2  ARG 110          1HH2      ARG 110  -6.215  14.094  -3.971
  884   2HH2  ARG 110          2HH2      ARG 110  -5.590  15.179  -2.774
  885    H    TYR 111           H        TYR 111  -0.358  10.161  -9.434
  886    HA   TYR 111           HA       TYR 111   2.245  11.194  -9.933
  887   1HB   TYR 111          2HB       TYR 111   1.094   8.412 -10.002
  888   2HB   TYR 111          1HB       TYR 111   2.776   8.737 -10.407
  889    HD1  TYR 111           HD1      TYR 111   4.161  10.018  -8.622
  890    HD2  TYR 111           HD2      TYR 111   0.495   8.027  -7.791
  891    HE1  TYR 111           HE1      TYR 111   4.755   9.934  -6.238
  892    HE2  TYR 111           HE2      TYR 111   1.080   7.936  -5.405
  893    HH   TYR 111           HH       TYR 111   2.784   9.547  -3.864
  894    H    LYS 112           H        LYS 112  -0.370  10.133 -11.925
  895    HA   LYS 112           HA       LYS 112   1.100   9.741 -14.315
  896   1HB   LYS 112          2HB       LYS 112  -1.826  10.420 -13.964
  897   2HB   LYS 112          1HB       LYS 112  -1.084   9.795 -15.430
  898   1HG   LYS 112          2HG       LYS 112  -1.232   8.347 -12.794
  899   2HG   LYS 112          1HG       LYS 112  -2.276   8.060 -14.187
  900   1HD   LYS 112          2HD       LYS 112  -0.785   6.579 -14.919
  901   2HD   LYS 112          1HD       LYS 112   0.342   7.913 -15.171
  902   1HE   LYS 112          2HE       LYS 112   1.485   7.495 -13.233
  903   2HE   LYS 112          1HE       LYS 112   0.082   6.792 -12.430
  904   1HZ   LYS 112          1HZ       LYS 112   0.370   4.914 -14.129
  905   2HZ   LYS 112          2HZ       LYS 112   1.449   4.984 -12.828
  906   3HZ   LYS 112          3HZ       LYS 112   1.929   5.534 -14.355
  907    H    ASP 113           H        ASP 113  -0.452  12.509 -12.815
  908    HA   ASP 113           HA       ASP 113  -0.439  14.269 -14.988
  909   1HB   ASP 113          2HB       ASP 113  -1.589  14.651 -12.794
  910   2HB   ASP 113          1HB       ASP 113  -0.018  15.007 -12.086
  911    H    ALA 114           H        ALA 114   2.080  13.433 -12.674
  912    HA   ALA 114           HA       ALA 114   3.923  15.441 -13.330
  913   1HB   ALA 114          1HB       ALA 114   4.470  12.644 -12.344
  914   2HB   ALA 114          2HB       ALA 114   4.131  14.050 -11.334
  915   3HB   ALA 114          3HB       ALA 114   5.602  13.995 -12.304
  916    H    ASP 115           H        ASP 115   3.171  12.379 -14.844
  917    HA   ASP 115           HA       ASP 115   4.033  11.286 -16.658
  918   1HB   ASP 115          2HB       ASP 115   4.111  12.652 -18.678
  919   2HB   ASP 115          1HB       ASP 115   2.729  13.105 -17.686
  Start of MODEL   14
    1    HT1  PRO   1           HT2      PRO   1 -10.889   7.489   8.498
    2    HT2  PRO   1           HT1      PRO   1  -9.882   8.409   7.473
    3    HA   PRO   1           HA       PRO   1 -12.570   7.852   7.245
    4   1HB   PRO   1          2HB       PRO   1 -12.324  10.776   7.055
    5   2HB   PRO   1          1HB       PRO   1 -13.630   9.795   7.729
    6   1HG   PRO   1          2HG       PRO   1 -11.899  11.189   9.286
    7   2HG   PRO   1          1HG       PRO   1 -12.649   9.671   9.803
    8   1HD   PRO   1          2HD       PRO   1  -9.864  10.183   8.849
    9   2HD   PRO   1          1HD       PRO   1 -10.444   9.033  10.068
   10    H    SER   2           H        SER   2 -12.391   7.183   5.202
   11    HA   SER   2           HA       SER   2 -12.044   7.191   2.954
   12   1HB   SER   2          2HB       SER   2 -12.944   9.539   3.127
   13   2HB   SER   2          1HB       SER   2 -11.276  10.104   3.226
   14    HG   SER   2           HG       SER   2 -11.006   8.883   1.175
   15    H    HIS   3           H        HIS   3  -9.592   9.521   4.091
   16    HA   HIS   3           HA       HIS   3  -7.549   8.184   2.567
   17   1HB   HIS   3          2HB       HIS   3  -7.644  10.628   4.299
   18   2HB   HIS   3          1HB       HIS   3  -6.088   9.942   3.840
   19    HD1  HIS   3           HD1      HIS   3  -9.282  10.963   2.023
   20    HD2  HIS   3           HD2      HIS   3  -5.155  11.045   1.566
   21    HE1  HIS   3           HE1      HIS   3  -8.872  12.143  -0.159
   22    HE2  HIS   3           HE2      HIS   3  -6.363  12.257  -0.371
   23    H    SER   4           H        SER   4  -8.720   8.079   5.797
   24    HA   SER   4           HA       SER   4  -6.457   6.346   6.547
   25   1HB   SER   4          2HB       SER   4  -7.063   7.081   8.949
   26   2HB   SER   4          1HB       SER   4  -6.189   8.225   7.932
   27    HG   SER   4           HG       SER   4  -8.192   8.920   9.162
   28    H    GLY   5           H        GLY   5  -6.961   4.337   7.062
   29   1HA   GLY   5          2HA       GLY   5  -9.482   3.677   8.323
   30   2HA   GLY   5          1HA       GLY   5  -9.305   3.066   6.684
   31    H    ALA   6           H        ALA   6  -9.514   1.598   9.236
   32    HA   ALA   6           HA       ALA   6  -6.998   0.588   9.986
   33   1HB   ALA   6          1HB       ALA   6  -8.925   0.320  11.417
   34   2HB   ALA   6          2HB       ALA   6  -8.225  -1.252  11.021
   35   3HB   ALA   6          3HB       ALA   6  -9.700  -0.715  10.215
   36    H    ALA   7           H        ALA   7  -5.786  -1.052   9.278
   37    HA   ALA   7           HA       ALA   7  -6.775  -2.915   7.305
   38   1HB   ALA   7          1HB       ALA   7  -5.014  -2.413   5.668
   39   2HB   ALA   7          2HB       ALA   7  -4.513  -1.038   6.653
   40   3HB   ALA   7          3HB       ALA   7  -6.110  -1.052   5.904
   41    H    ILE   8           H        ILE   8  -5.519  -4.797   7.087
   42    HA   ILE   8           HA       ILE   8  -3.612  -5.212   9.268
   43    HB   ILE   8           HB       ILE   8  -4.750  -7.258   7.372
   44   1HG1  ILE   8          2HG1      ILE   8  -5.700  -6.743  10.179
   45   2HG1  ILE   8          1HG1      ILE   8  -6.459  -6.000   8.771
   46   1HG2  ILE   8          1HG2      ILE   8  -2.608  -7.691   8.759
   47   2HG2  ILE   8          2HG2      ILE   8  -3.886  -8.903   8.748
   48   3HG2  ILE   8          3HG2      ILE   8  -3.720  -7.812  10.122
   49   1HD1  ILE   8          1HD1      ILE   8  -7.253  -7.995   7.980
   50   2HD1  ILE   8          2HD1      ILE   8  -7.407  -8.205   9.726
   51   3HD1  ILE   8          3HD1      ILE   8  -6.054  -8.945   8.861
   52    H    PHE   9           H        PHE   9  -1.546  -5.901   8.970
   53    HA   PHE   9           HA       PHE   9  -0.570  -6.389   6.274
   54   1HB   PHE   9          2HB       PHE   9  -0.256  -3.981   6.557
   55   2HB   PHE   9          1HB       PHE   9   0.609  -4.256   8.061
   56    HD1  PHE   9           HD1      PHE   9   0.781  -5.609   4.588
   57    HD2  PHE   9           HD2      PHE   9   2.862  -3.936   7.897
   58    HE1  PHE   9           HE1      PHE   9   2.892  -5.774   3.335
   59    HE2  PHE   9           HE2      PHE   9   4.980  -4.096   6.652
   60    HZ   PHE   9           HZ       PHE   9   4.997  -5.016   4.368
   61    H    GLU  10           H        GLU  10   0.191  -8.367   6.553
   62    HA   GLU  10           HA       GLU  10   1.647 -10.008   7.158
   63   1HB   GLU  10          2HB       GLU  10   2.747  -8.112   9.229
   64   2HB   GLU  10          1HB       GLU  10   3.505  -9.575   8.621
   65   1HG   GLU  10          2HG       GLU  10   3.645  -8.530   6.390
   66   2HG   GLU  10          1HG       GLU  10   2.988  -7.046   7.077
   67    H    LYS  11           H        LYS  11  -0.874 -10.175   8.060
   68    HA   LYS  11           HA       LYS  11  -2.196 -11.223   9.545
   69   1HB   LYS  11          2HB       LYS  11   0.525 -12.183  10.226
   70   2HB   LYS  11          1HB       LYS  11  -0.805 -12.614  11.297
   71   1HG   LYS  11          2HG       LYS  11  -1.196 -13.025   8.393
   72   2HG   LYS  11          1HG       LYS  11  -0.081 -14.114   9.228
   73   1HD   LYS  11          2HD       LYS  11  -1.940 -15.298   9.686
   74   2HD   LYS  11          1HD       LYS  11  -2.181 -14.092  10.950
   75   1HE   LYS  11          2HE       LYS  11  -3.636 -12.812   9.529
   76   2HE   LYS  11          1HE       LYS  11  -3.286 -13.861   8.156
   77   1HZ   LYS  11          1HZ       LYS  11  -4.279 -15.706   9.483
   78   2HZ   LYS  11          2HZ       LYS  11  -5.376 -14.502   9.030
   79   3HZ   LYS  11          3HZ       LYS  11  -4.788 -14.557  10.616
   80    H    VAL  12           H        VAL  12  -0.835  -8.502  10.243
   81    HA   VAL  12           HA       VAL  12  -1.771  -8.499  13.004
   82    HB   VAL  12           HB       VAL  12   0.589  -6.987  11.885
   83   1HG1  VAL  12          1HG1      VAL  12  -0.728  -5.523  13.340
   84   2HG1  VAL  12          2HG1      VAL  12   0.814  -5.948  14.083
   85   3HG1  VAL  12          3HG1      VAL  12  -0.669  -6.740  14.615
   86   1HG2  VAL  12          1HG2      VAL  12   0.602  -8.750  14.300
   87   2HG2  VAL  12          2HG2      VAL  12   1.945  -8.266  13.264
   88   3HG2  VAL  12          3HG2      VAL  12   0.760  -9.436  12.684
   89    H    SER  13           H        SER  13  -3.130  -6.804  13.546
   90    HA   SER  13           HA       SER  13  -4.011  -5.203  11.252
   91   1HB   SER  13          2HB       SER  13  -5.489  -5.608  13.857
   92   2HB   SER  13          1HB       SER  13  -6.135  -5.000  12.332
   93    HG   SER  13           HG       SER  13  -6.707  -7.133  12.476
   94    H    GLY  14           H        GLY  14  -4.394  -3.046  11.373
   95   1HA   GLY  14          2HA       GLY  14  -3.946  -1.461  13.695
   96   2HA   GLY  14          1HA       GLY  14  -2.547  -1.433  12.624
   97    H    ILE  15           H        ILE  15  -3.515   0.960  12.861
   98    HA   ILE  15           HA       ILE  15  -5.585   1.369  10.852
   99    HB   ILE  15           HB       ILE  15  -4.373   3.174  12.918
  100   1HG1  ILE  15          2HG1      ILE  15  -6.813   3.416  13.491
  101   2HG1  ILE  15          1HG1      ILE  15  -7.157   2.206  12.255
  102   1HG2  ILE  15          1HG2      ILE  15  -6.002   3.957  10.511
  103   2HG2  ILE  15          2HG2      ILE  15  -4.470   4.634  11.063
  104   3HG2  ILE  15          3HG2      ILE  15  -5.948   4.938  11.976
  105   1HD1  ILE  15          1HD1      ILE  15  -6.277   0.498  13.485
  106   2HD1  ILE  15          2HD1      ILE  15  -6.934   1.525  14.759
  107   3HD1  ILE  15          3HD1      ILE  15  -5.207   1.558  14.404
  108    H    ILE  16           H        ILE  16  -5.242   2.067   8.887
  109    HA   ILE  16           HA       ILE  16  -2.496   2.703   8.088
  110    HB   ILE  16           HB       ILE  16  -4.732   1.254   6.878
  111   1HG1  ILE  16          2HG1      ILE  16  -1.751   1.392   6.406
  112   2HG1  ILE  16          1HG1      ILE  16  -2.647   0.173   7.301
  113   1HG2  ILE  16          1HG2      ILE  16  -5.040   3.125   5.441
  114   2HG2  ILE  16          2HG2      ILE  16  -4.127   1.930   4.523
  115   3HG2  ILE  16          3HG2      ILE  16  -3.303   3.327   5.216
  116   1HD1  ILE  16          1HD1      ILE  16  -3.677   0.269   4.658
  117   2HD1  ILE  16          2HD1      ILE  16  -2.837  -1.049   5.476
  118   3HD1  ILE  16          3HD1      ILE  16  -1.918   0.161   4.580
  119    H    ALA  17           H        ALA  17  -2.003   4.770   7.791
  120    HA   ALA  17           HA       ALA  17  -4.153   6.651   7.070
  121   1HB   ALA  17          1HB       ALA  17  -3.205   7.169   9.227
  122   2HB   ALA  17          2HB       ALA  17  -2.722   8.406   8.066
  123   3HB   ALA  17          3HB       ALA  17  -1.576   7.157   8.552
  124    H    ILE  18           H        ILE  18  -3.852   8.077   5.380
  125    HA   ILE  18           HA       ILE  18  -1.598   7.443   3.618
  126    HB   ILE  18           HB       ILE  18  -4.424   8.135   3.167
  127   1HG1  ILE  18          2HG1      ILE  18  -2.518   6.819   1.254
  128   2HG1  ILE  18          1HG1      ILE  18  -3.118   5.960   2.670
  129   1HG2  ILE  18          1HG2      ILE  18  -3.535  10.164   2.286
  130   2HG2  ILE  18          2HG2      ILE  18  -3.966   9.122   0.929
  131   3HG2  ILE  18          3HG2      ILE  18  -2.277   9.295   1.408
  132   1HD1  ILE  18          1HD1      ILE  18  -4.566   6.843   0.231
  133   2HD1  ILE  18          2HD1      ILE  18  -5.449   6.714   1.753
  134   3HD1  ILE  18          3HD1      ILE  18  -4.624   5.304   1.089
  135    H    ASN  19           H        ASN  19   0.015   8.847   3.557
  136    HA   ASN  19           HA       ASN  19  -0.521  11.654   4.262
  137   1HB   ASN  19          2HB       ASN  19   1.102  10.332   5.686
  138   2HB   ASN  19          1HB       ASN  19   2.162  10.267   4.281
  139   1HD2  ASN  19          1HD2      ASN  19   3.675  11.746   4.252
  140   2HD2  ASN  19          2HD2      ASN  19   3.586  13.317   4.965
  141    H    GLU  20           H        GLU  20  -0.772  12.853   2.506
  142    HA   GLU  20           HA       GLU  20   0.975  12.347   0.194
  143   1HB   GLU  20          2HB       GLU  20  -0.824  13.792  -0.998
  144   2HB   GLU  20          1HB       GLU  20  -1.181  12.111  -0.631
  145   1HG   GLU  20          2HG       GLU  20  -2.443  12.786   1.330
  146   2HG   GLU  20          1HG       GLU  20  -2.051  14.476   1.015
  147    H    ASP  21           H        ASP  21   0.579  14.385   2.780
  148    HA   ASP  21           HA       ASP  21   0.987  16.930   1.685
  149   1HB   ASP  21          2HB       ASP  21   0.308  16.459   4.042
  150   2HB   ASP  21          1HB       ASP  21   1.958  15.930   4.365
  151    H    VAL  22           H        VAL  22   3.112  14.259   1.986
  152    HA   VAL  22           HA       VAL  22   5.457  15.946   1.697
  153    HB   VAL  22           HB       VAL  22   5.247  13.851   3.256
  154   1HG1  VAL  22          1HG1      VAL  22   4.764  12.506   1.016
  155   2HG1  VAL  22          2HG1      VAL  22   5.559  11.780   2.412
  156   3HG1  VAL  22          3HG1      VAL  22   6.522  12.359   1.052
  157   1HG2  VAL  22          1HG2      VAL  22   7.832  13.468   2.301
  158   2HG2  VAL  22          2HG2      VAL  22   7.319  14.557   3.590
  159   3HG2  VAL  22          3HG2      VAL  22   7.444  15.149   1.933
  160    H    SER  23           H        SER  23   7.058  14.121   0.269
  161    HA   SER  23           HA       SER  23   5.827  13.400  -2.196
  162   1HB   SER  23          2HB       SER  23   6.630  15.054  -3.651
  163   2HB   SER  23          1HB       SER  23   6.053  15.974  -2.262
  164    HG   SER  23           HG       SER  23   8.223  16.046  -1.522
  165    HA   PRO  24           HA       PRO  24   5.982  11.878  -3.419
  166   1HB   PRO  24          2HB       PRO  24   6.247   9.196  -3.281
  167   2HB   PRO  24          1HB       PRO  24   7.052  10.162  -4.522
  168   1HG   PRO  24          2HG       PRO  24   8.158   9.057  -1.969
  169   2HG   PRO  24          1HG       PRO  24   8.887   9.081  -3.584
  170   1HD   PRO  24          2HD       PRO  24   9.537  10.868  -1.644
  171   2HD   PRO  24          1HD       PRO  24   9.586  11.261  -3.374
  172    H    ALA  25           H        ALA  25   4.023  11.128  -2.607
  173    HA   ALA  25           HA       ALA  25   3.521  11.378   0.115
  174   1HB   ALA  25          1HB       ALA  25   1.944   9.913  -2.000
  175   2HB   ALA  25          2HB       ALA  25   1.743  11.588  -1.487
  176   3HB   ALA  25          3HB       ALA  25   1.343  10.273  -0.382
  177    H    GLU  26           H        GLU  26   2.462   9.555   1.467
  178    HA   GLU  26           HA       GLU  26   3.537   6.911   1.033
  179   1HB   GLU  26          2HB       GLU  26   4.472   8.557   3.390
  180   2HB   GLU  26          1HB       GLU  26   4.770   6.837   3.176
  181   1HG   GLU  26          2HG       GLU  26   5.994   7.367   1.083
  182   2HG   GLU  26          1HG       GLU  26   5.794   9.079   1.453
  183    H    LEU  27           H        LEU  27   2.565   5.323   2.284
  184    HA   LEU  27           HA       LEU  27   0.219   6.225   3.815
  185   1HB   LEU  27          2HB       LEU  27  -0.228   4.863   1.793
  186   2HB   LEU  27          1HB       LEU  27   0.712   3.558   2.489
  187    HG   LEU  27           HG       LEU  27  -1.672   4.648   3.944
  188   1HD1  LEU  27          1HD1      LEU  27  -1.636   2.769   1.610
  189   2HD1  LEU  27          2HD1      LEU  27  -2.690   4.149   1.909
  190   3HD1  LEU  27          3HD1      LEU  27  -2.887   2.670   2.849
  191   1HD2  LEU  27          1HD2      LEU  27  -0.018   2.160   3.992
  192   2HD2  LEU  27          2HD2      LEU  27  -1.683   2.131   4.574
  193   3HD2  LEU  27          3HD2      LEU  27  -0.505   3.209   5.324
  194    H    THR  28           H        THR  28   0.511   6.137   5.950
  195    HA   THR  28           HA       THR  28   2.499   4.430   7.116
  196    HB   THR  28           HB       THR  28   0.747   5.970   8.872
  197    HG1  THR  28           HG1      THR  28   0.574   7.515   7.416
  198   1HG2  THR  28          1HG2      THR  28   2.954   5.128   9.538
  199   2HG2  THR  28          2HG2      THR  28   2.810   6.879   9.694
  200   3HG2  THR  28          3HG2      THR  28   3.683   6.184   8.329
  201    H    TRP  29           H        TRP  29   2.113   2.856   8.663
  202    HA   TRP  29           HA       TRP  29  -0.656   1.996   9.066
  203   1HB   TRP  29          2HB       TRP  29   0.345   0.522   7.378
  204   2HB   TRP  29          1HB       TRP  29   1.697   0.190   8.460
  205    HD1  TRP  29           HD1      TRP  29  -2.133   0.062   9.006
  206    HE1  TRP  29           HE1      TRP  29  -2.723  -2.221  10.057
  207    HE3  TRP  29           HE3      TRP  29   2.547  -1.981   9.186
  208    HZ2  TRP  29           HZ2      TRP  29  -1.376  -4.546  10.852
  209    HZ3  TRP  29           HZ3      TRP  29   2.807  -4.248  10.115
  210    HH2  TRP  29           HH2      TRP  29   0.873  -5.509  10.928
  211    H    ARG  30           H        ARG  30  -1.004   2.295  11.171
  212    HA   ARG  30           HA       ARG  30   1.180   1.679  13.046
  213   1HB   ARG  30          2HB       ARG  30  -1.354   3.292  13.428
  214   2HB   ARG  30          1HB       ARG  30  -0.203   2.941  14.709
  215   1HG   ARG  30          2HG       ARG  30   1.537   4.136  13.450
  216   2HG   ARG  30          1HG       ARG  30   0.344   4.527  12.209
  217   1HD   ARG  30          2HD       ARG  30  -1.012   5.639  14.007
  218   2HD   ARG  30          1HD       ARG  30   0.362   5.412  15.089
  219    HE   ARG  30           HE       ARG  30   0.111   7.352  12.981
  220   1HH1  ARG  30          1HH1      ARG  30   2.347   5.547  14.961
  221   2HH1  ARG  30          2HH1      ARG  30   3.633   6.692  14.770
  222   1HH2  ARG  30          1HH2      ARG  30   1.801   8.858  12.730
  223   2HH2  ARG  30          2HH2      ARG  30   3.322   8.571  13.505
  224    H    SER  31           H        SER  31   1.056  -0.139  14.236
  225    HA   SER  31           HA       SER  31  -0.929  -2.046  13.872
  226   1HB   SER  31          2HB       SER  31   1.087  -2.902  14.675
  227   2HB   SER  31          1HB       SER  31   1.219  -1.675  15.936
  228    HG   SER  31           HG       SER  31   0.354  -3.112  17.188
  229    H    THR  32           H        THR  32  -2.330  -2.981  15.593
  230    HA   THR  32           HA       THR  32  -4.228  -1.143  16.457
  231    HB   THR  32           HB       THR  32  -3.626  -4.011  16.830
  232    HG1  THR  32           HG1      THR  32  -5.502  -4.215  15.821
  233   1HG2  THR  32          1HG2      THR  32  -5.513  -4.325  18.375
  234   2HG2  THR  32          2HG2      THR  32  -5.525  -2.582  18.652
  235   3HG2  THR  32          3HG2      THR  32  -4.112  -3.537  19.097
  236    H    ASP  33           H        ASP  33  -1.429  -2.511  17.968
  237    HA   ASP  33           HA       ASP  33  -2.009  -1.534  20.590
  238   1HB   ASP  33          2HB       ASP  33   0.531  -2.647  19.397
  239   2HB   ASP  33          1HB       ASP  33   0.335  -2.238  21.098
  240    H    GLY  34           H        GLY  34  -0.061  -0.495  17.889
  241   1HA   GLY  34          2HA       GLY  34   0.250   1.860  17.466
  242   2HA   GLY  34          1HA       GLY  34   0.258   2.118  19.204
  243    H    ASP  35           H        ASP  35   1.984  -0.328  19.488
  244    HA   ASP  35           HA       ASP  35   4.464   1.002  19.538
  245   1HB   ASP  35          2HB       ASP  35   3.815  -0.880  21.047
  246   2HB   ASP  35          1HB       ASP  35   3.989  -1.977  19.680
  247    H    LYS  36           H        LYS  36   2.855  -0.767  17.075
  248    HA   LYS  36           HA       LYS  36   5.343  -0.953  15.520
  249   1HB   LYS  36          2HB       LYS  36   2.991  -2.657  15.755
  250   2HB   LYS  36          1HB       LYS  36   3.382  -2.287  14.081
  251   1HG   LYS  36          2HG       LYS  36   5.681  -3.076  14.471
  252   2HG   LYS  36          1HG       LYS  36   5.226  -3.515  16.119
  253   1HD   LYS  36          2HD       LYS  36   3.496  -5.028  15.190
  254   2HD   LYS  36          1HD       LYS  36   4.076  -4.644  13.568
  255   1HE   LYS  36          2HE       LYS  36   5.806  -5.816  15.737
  256   2HE   LYS  36          1HE       LYS  36   4.964  -6.781  14.525
  257   1HZ   LYS  36          1HZ       LYS  36   6.182  -5.256  12.869
  258   2HZ   LYS  36          2HZ       LYS  36   7.048  -6.504  13.613
  259   3HZ   LYS  36          3HZ       LYS  36   7.214  -4.914  14.166
  260    H    VAL  37           H        VAL  37   5.656   0.391  13.881
  261    HA   VAL  37           HA       VAL  37   3.336   1.621  12.572
  262    HB   VAL  37           HB       VAL  37   5.784   3.172  13.417
  263   1HG1  VAL  37          1HG1      VAL  37   3.318   4.577  12.663
  264   2HG1  VAL  37          2HG1      VAL  37   4.106   3.704  11.348
  265   3HG1  VAL  37          3HG1      VAL  37   4.997   4.928  12.254
  266   1HG2  VAL  37          1HG2      VAL  37   4.713   2.876  15.433
  267   2HG2  VAL  37          2HG2      VAL  37   3.113   2.805  14.695
  268   3HG2  VAL  37          3HG2      VAL  37   3.945   4.353  14.849
  269    H    HIS  38           H        HIS  38   3.456   1.033  10.518
  270    HA   HIS  38           HA       HIS  38   6.113   0.874   9.249
  271   1HB   HIS  38          2HB       HIS  38   4.967  -1.259   9.227
  272   2HB   HIS  38          1HB       HIS  38   3.553  -0.521   8.490
  273    HD1  HIS  38           HD1      HIS  38   6.344  -2.496   7.600
  274    HD2  HIS  38           HD2      HIS  38   4.404   0.730   5.842
  275    HE1  HIS  38           HE1      HIS  38   6.990  -2.564   5.169
  276    HE2  HIS  38           HE2      HIS  38   5.735  -0.654   4.111
  277    H    THR  39           H        THR  39   6.499   1.865   7.353
  278    HA   THR  39           HA       THR  39   4.434   3.751   6.421
  279    HB   THR  39           HB       THR  39   7.414   4.103   6.108
  280    HG1  THR  39           HG1      THR  39   5.683   4.973   8.165
  281   1HG2  THR  39          1HG2      THR  39   6.088   5.445   4.578
  282   2HG2  THR  39          2HG2      THR  39   6.874   6.452   5.793
  283   3HG2  THR  39          3HG2      THR  39   5.156   6.082   5.933
  284    H    VAL  40           H        VAL  40   3.827   3.687   4.342
  285    HA   VAL  40           HA       VAL  40   5.322   1.891   2.542
  286    HB   VAL  40           HB       VAL  40   2.377   2.536   2.385
  287   1HG1  VAL  40          1HG1      VAL  40   2.229   0.880   0.729
  288   2HG1  VAL  40          2HG1      VAL  40   3.835   0.250   1.094
  289   3HG1  VAL  40          3HG1      VAL  40   3.662   1.818   0.308
  290   1HG2  VAL  40          1HG2      VAL  40   3.069   1.270   4.455
  291   2HG2  VAL  40          2HG2      VAL  40   3.585  -0.033   3.382
  292   3HG2  VAL  40          3HG2      VAL  40   1.892   0.463   3.419
  293    H    VAL  41           H        VAL  41   5.735   2.541   0.460
  294    HA   VAL  41           HA       VAL  41   5.446   5.404  -0.045
  295    HB   VAL  41           HB       VAL  41   6.983   3.411  -1.709
  296   1HG1  VAL  41          1HG1      VAL  41   6.909   6.405  -1.533
  297   2HG1  VAL  41          2HG1      VAL  41   6.688   5.374  -2.947
  298   3HG1  VAL  41          3HG1      VAL  41   8.287   5.551  -2.225
  299   1HG2  VAL  41          1HG2      VAL  41   8.969   4.003  -0.477
  300   2HG2  VAL  41          2HG2      VAL  41   7.756   3.392   0.646
  301   3HG2  VAL  41          3HG2      VAL  41   8.054   5.126   0.528
  302    H    LEU  42           H        LEU  42   3.909   6.158  -1.341
  303    HA   LEU  42           HA       LEU  42   2.314   4.306  -2.903
  304   1HB   LEU  42          2HB       LEU  42   1.943   7.283  -2.632
  305   2HB   LEU  42          1HB       LEU  42   0.757   6.105  -3.164
  306    HG   LEU  42           HG       LEU  42   1.844   6.459  -0.373
  307   1HD1  LEU  42          1HD1      LEU  42  -0.089   7.479   0.142
  308   2HD1  LEU  42          2HD1      LEU  42  -1.043   6.439  -0.915
  309   3HD1  LEU  42          3HD1      LEU  42  -0.158   7.807  -1.589
  310   1HD2  LEU  42          1HD2      LEU  42   0.630   4.133  -1.660
  311   2HD2  LEU  42          2HD2      LEU  42  -0.195   4.645  -0.187
  312   3HD2  LEU  42          3HD2      LEU  42   1.525   4.255  -0.146
  313    H    SER  43           H        SER  43   4.992   6.290  -3.457
  314    HA   SER  43           HA       SER  43   4.364   6.978  -6.184
  315   1HB   SER  43          2HB       SER  43   5.787   8.524  -5.097
  316   2HB   SER  43          1HB       SER  43   6.835   7.251  -4.478
  317    HG   SER  43           HG       SER  43   7.774   7.055  -6.406
  318    H    THR  44           H        THR  44   5.941   4.388  -4.496
  319    HA   THR  44           HA       THR  44   7.178   3.334  -6.891
  320    HB   THR  44           HB       THR  44   8.307   3.135  -4.709
  321    HG1  THR  44           HG1      THR  44   7.538   0.631  -5.791
  322   1HG2  THR  44          1HG2      THR  44   6.168   2.733  -3.403
  323   2HG2  THR  44          2HG2      THR  44   7.578   1.767  -2.966
  324   3HG2  THR  44          3HG2      THR  44   6.290   1.059  -3.942
  325    H    ILE  45           H        ILE  45   4.097   3.282  -5.634
  326    HA   ILE  45           HA       ILE  45   3.429   0.551  -6.258
  327    HB   ILE  45           HB       ILE  45   1.531   2.850  -5.790
  328   1HG1  ILE  45          2HG1      ILE  45   3.013   2.716  -3.887
  329   2HG1  ILE  45          1HG1      ILE  45   1.457   2.028  -3.436
  330   1HG2  ILE  45          1HG2      ILE  45  -0.075   1.155  -5.225
  331   2HG2  ILE  45          2HG2      ILE  45   1.140  -0.112  -5.394
  332   3HG2  ILE  45          3HG2      ILE  45   0.601   0.789  -6.812
  333   1HD1  ILE  45          1HD1      ILE  45   3.356   0.733  -2.582
  334   2HD1  ILE  45          2HD1      ILE  45   3.883   0.438  -4.238
  335   3HD1  ILE  45          3HD1      ILE  45   2.341  -0.206  -3.676
  336    H    ASP  46           H        ASP  46   3.726   0.087  -8.379
  337    HA   ASP  46           HA       ASP  46   3.189   1.792 -10.538
  338   1HB   ASP  46          2HB       ASP  46   4.543  -0.408 -10.480
  339   2HB   ASP  46          1HB       ASP  46   2.991  -1.206 -10.724
  340    H    LYS  47           H        LYS  47   1.129  -0.274  -8.646
  341    HA   LYS  47           HA       LYS  47  -1.233   0.917  -9.646
  342   1HB   LYS  47          2HB       LYS  47  -0.253  -1.405 -11.075
  343   2HB   LYS  47          1HB       LYS  47  -1.830  -1.726 -10.365
  344   1HG   LYS  47          2HG       LYS  47  -2.795   0.145 -11.510
  345   2HG   LYS  47          1HG       LYS  47  -1.212   0.656 -12.099
  346   1HD   LYS  47          2HD       LYS  47  -2.462  -0.502 -13.846
  347   2HD   LYS  47          1HD       LYS  47  -1.023  -1.416 -13.388
  348   1HE   LYS  47          2HE       LYS  47  -2.246  -3.057 -12.314
  349   2HE   LYS  47          1HE       LYS  47  -3.632  -1.999 -12.058
  350   1HZ   LYS  47          1HZ       LYS  47  -2.941  -2.587 -14.824
  351   2HZ   LYS  47          2HZ       LYS  47  -4.460  -2.440 -14.095
  352   3HZ   LYS  47          3HZ       LYS  47  -3.576  -3.871 -13.921
  353    H    LEU  48           H        LEU  48  -3.078   0.312  -8.466
  354    HA   LEU  48           HA       LEU  48  -2.493  -1.341  -6.104
  355   1HB   LEU  48          2HB       LEU  48  -4.102  -0.060  -4.891
  356   2HB   LEU  48          1HB       LEU  48  -3.014   1.055  -5.696
  357    HG   LEU  48           HG       LEU  48  -4.976   0.926  -7.543
  358   1HD1  LEU  48          1HD1      LEU  48  -6.823  -0.026  -6.765
  359   2HD1  LEU  48          2HD1      LEU  48  -6.930   1.258  -5.562
  360   3HD1  LEU  48          3HD1      LEU  48  -6.097  -0.247  -5.174
  361   1HD2  LEU  48          1HD2      LEU  48  -4.527   3.067  -7.034
  362   2HD2  LEU  48          2HD2      LEU  48  -4.292   2.719  -5.321
  363   3HD2  LEU  48          3HD2      LEU  48  -5.921   2.923  -5.964
  364    H    GLN  49           H        GLN  49  -3.380  -3.288  -6.135
  365    HA   GLN  49           HA       GLN  49  -5.836  -3.707  -7.690
  366   1HB   GLN  49          2HB       GLN  49  -3.775  -5.682  -6.698
  367   2HB   GLN  49          1HB       GLN  49  -5.235  -6.119  -7.574
  368   1HG   GLN  49          2HG       GLN  49  -4.478  -4.891  -9.516
  369   2HG   GLN  49          1HG       GLN  49  -3.047  -4.350  -8.640
  370   1HE2  GLN  49          1HE2      GLN  49  -3.003  -5.749 -11.078
  371   2HE2  GLN  49          2HE2      GLN  49  -2.245  -7.277 -10.809
  372    H    ALA  50           H        ALA  50  -7.513  -5.055  -6.817
  373    HA   ALA  50           HA       ALA  50  -7.491  -5.414  -3.913
  374   1HB   ALA  50          1HB       ALA  50  -9.366  -4.152  -3.477
  375   2HB   ALA  50          2HB       ALA  50  -9.936  -4.225  -5.144
  376   3HB   ALA  50          3HB       ALA  50  -8.579  -3.180  -4.721
  377    H    THR  51           H        THR  51  -9.208  -6.826  -3.142
  378    HA   THR  51           HA       THR  51  -9.554  -9.083  -4.840
  379    HB   THR  51           HB       THR  51 -10.815 -10.045  -2.974
  380    HG1  THR  51           HG1      THR  51 -10.681  -7.416  -1.933
  381   1HG2  THR  51          1HG2      THR  51  -8.231  -8.704  -2.450
  382   2HG2  THR  51          2HG2      THR  51  -8.655 -10.415  -2.411
  383   3HG2  THR  51          3HG2      THR  51  -9.111  -9.364  -1.071
  384    HA   PRO  52           HA       PRO  52 -13.365  -8.174  -6.854
  385   1HB   PRO  52          2HB       PRO  52 -14.522 -10.643  -6.949
  386   2HB   PRO  52          1HB       PRO  52 -13.185 -10.153  -7.995
  387   1HG   PRO  52          2HG       PRO  52 -13.127 -11.766  -5.475
  388   2HG   PRO  52          1HG       PRO  52 -12.244 -12.024  -6.991
  389   1HD   PRO  52          2HD       PRO  52 -11.085 -10.906  -4.828
  390   2HD   PRO  52          1HD       PRO  52 -10.651 -10.429  -6.482
  391    H    ALA  53           H        ALA  53 -15.656  -8.051  -6.565
  392    HA   ALA  53           HA       ALA  53 -16.437  -7.665  -3.859
  393   1HB   ALA  53          1HB       ALA  53 -17.649  -7.266  -6.512
  394   2HB   ALA  53          2HB       ALA  53 -17.610  -6.201  -5.106
  395   3HB   ALA  53          3HB       ALA  53 -18.778  -7.521  -5.181
  396    H    SER  54           H        SER  54 -16.318 -10.444  -5.765
  397    HA   SER  54           HA       SER  54 -18.595 -11.739  -4.505
  398   1HB   SER  54          2HB       SER  54 -16.569 -12.708  -6.529
  399   2HB   SER  54          1HB       SER  54 -17.877 -13.707  -5.893
  400    HG   SER  54           HG       SER  54 -18.581 -12.783  -7.792
  401    H    SER  55           H        SER  55 -15.549 -11.052  -3.522
  402    HA   SER  55           HA       SER  55 -15.199 -13.591  -2.086
  403   1HB   SER  55          2HB       SER  55 -13.351 -12.249  -3.557
  404   2HB   SER  55          1HB       SER  55 -13.049 -11.567  -1.959
  405    HG   SER  55           HG       SER  55 -11.896 -13.582  -2.575
  406    H    GLU  56           H        GLU  56 -16.003 -13.592  -0.110
  407    HA   GLU  56           HA       GLU  56 -16.833 -11.348   1.315
  408   1HB   GLU  56          2HB       GLU  56 -17.579 -13.676   1.759
  409   2HB   GLU  56          1HB       GLU  56 -16.002 -14.022   2.453
  410   1HG   GLU  56          2HG       GLU  56 -17.498 -13.623   4.245
  411   2HG   GLU  56          1HG       GLU  56 -16.431 -12.225   4.129
  412    H    LYS  57           H        LYS  57 -13.698 -12.634   0.864
  413    HA   LYS  57           HA       LYS  57 -12.599 -11.331   3.226
  414   1HB   LYS  57          2HB       LYS  57 -11.285 -12.943   1.031
  415   2HB   LYS  57          1HB       LYS  57 -10.436 -12.271   2.416
  416   1HG   LYS  57          2HG       LYS  57 -11.877 -13.621   3.904
  417   2HG   LYS  57          1HG       LYS  57 -12.609 -14.353   2.475
  418   1HD   LYS  57          2HD       LYS  57 -10.357 -15.137   1.786
  419   2HD   LYS  57          1HD       LYS  57  -9.710 -14.498   3.299
  420   1HE   LYS  57          2HE       LYS  57 -10.765 -16.101   4.580
  421   2HE   LYS  57          1HE       LYS  57 -12.013 -16.395   3.371
  422   1HZ   LYS  57          1HZ       LYS  57  -9.970 -17.239   1.999
  423   2HZ   LYS  57          2HZ       LYS  57 -10.733 -18.248   3.122
  424   3HZ   LYS  57          3HZ       LYS  57  -9.291 -17.467   3.532
  425    H    MET  58           H        MET  58 -12.494  -9.174   3.040
  426    HA   MET  58           HA       MET  58 -11.855  -7.914   0.515
  427   1HB   MET  58          2HB       MET  58 -12.014  -5.797   1.917
  428   2HB   MET  58          1HB       MET  58 -13.481  -6.756   1.773
  429   1HG   MET  58          2HG       MET  58 -11.917  -7.561   4.062
  430   2HG   MET  58          1HG       MET  58 -12.292  -5.839   4.107
  431   1HE   MET  58          1HE       MET  58 -12.836  -8.045   5.971
  432   2HE   MET  58          2HE       MET  58 -14.303  -9.008   5.788
  433   3HE   MET  58          3HE       MET  58 -14.363  -7.460   6.631
  434    H    MET  59           H        MET  59  -9.830  -7.734  -0.152
  435    HA   MET  59           HA       MET  59  -7.778  -6.849   1.723
  436   1HB   MET  59          2HB       MET  59  -7.403  -9.263  -0.059
  437   2HB   MET  59          1HB       MET  59  -6.189  -8.554   0.995
  438   1HG   MET  59          2HG       MET  59  -7.654  -9.081   2.933
  439   2HG   MET  59          1HG       MET  59  -8.731  -9.928   1.824
  440   1HE   MET  59          1HE       MET  59  -8.126 -12.822   3.040
  441   2HE   MET  59          2HE       MET  59  -8.281 -11.314   3.941
  442   3HE   MET  59          3HE       MET  59  -6.881 -12.355   4.199
  443    H    LEU  60           H        LEU  60  -6.078  -5.715   0.766
  444    HA   LEU  60           HA       LEU  60  -6.478  -5.073  -2.084
  445   1HB   LEU  60          2HB       LEU  60  -5.640  -3.375   0.245
  446   2HB   LEU  60          1HB       LEU  60  -5.226  -2.914  -1.394
  447    HG   LEU  60           HG       LEU  60  -7.283  -1.819  -0.461
  448   1HD1  LEU  60          1HD1      LEU  60  -8.688  -2.512  -2.557
  449   2HD1  LEU  60          2HD1      LEU  60  -7.211  -3.366  -3.005
  450   3HD1  LEU  60          3HD1      LEU  60  -7.176  -1.622  -2.741
  451   1HD2  LEU  60          1HD2      LEU  60  -7.985  -4.135   0.562
  452   2HD2  LEU  60          2HD2      LEU  60  -8.769  -4.342  -1.005
  453   3HD2  LEU  60          3HD2      LEU  60  -9.200  -2.976   0.024
  454    H    ARG  61           H        ARG  61  -4.764  -5.167  -3.450
  455    HA   ARG  61           HA       ARG  61  -2.184  -6.000  -2.292
  456   1HB   ARG  61          2HB       ARG  61  -3.329  -7.781  -3.576
  457   2HB   ARG  61          1HB       ARG  61  -3.324  -6.739  -4.993
  458   1HG   ARG  61          2HG       ARG  61  -0.969  -6.835  -5.172
  459   2HG   ARG  61          1HG       ARG  61  -0.810  -7.580  -3.580
  460   1HD   ARG  61          2HD       ARG  61  -0.509  -9.281  -5.237
  461   2HD   ARG  61          1HD       ARG  61  -2.061  -9.548  -4.445
  462    HE   ARG  61           HE       ARG  61  -2.339  -7.978  -6.804
  463   1HH1  ARG  61          1HH1      ARG  61  -1.915 -11.251  -5.669
  464   2HH1  ARG  61          2HH1      ARG  61  -2.666 -11.962  -7.057
  465   1HH2  ARG  61          1HH2      ARG  61  -3.328  -8.912  -8.631
  466   2HH2  ARG  61          2HH2      ARG  61  -3.468 -10.636  -8.739
  467    H    LEU  62           H        LEU  62  -0.528  -4.692  -2.618
  468    HA   LEU  62           HA       LEU  62  -0.793  -2.573  -4.630
  469   1HB   LEU  62          2HB       LEU  62   0.309  -2.717  -1.954
  470   2HB   LEU  62          1HB       LEU  62   1.480  -2.066  -3.087
  471    HG   LEU  62           HG       LEU  62  -0.067  -0.309  -3.737
  472   1HD1  LEU  62          1HD1      LEU  62  -2.238  -0.067  -2.883
  473   2HD1  LEU  62          2HD1      LEU  62  -1.976  -1.290  -1.639
  474   3HD1  LEU  62          3HD1      LEU  62  -2.110  -1.769  -3.332
  475   1HD2  LEU  62          1HD2      LEU  62  -0.452   0.523  -1.191
  476   2HD2  LEU  62          2HD2      LEU  62   1.082   0.638  -2.051
  477   3HD2  LEU  62          3HD2      LEU  62   0.787  -0.709  -0.952
  478    H    ILE  63           H        ILE  63   0.513  -2.442  -6.338
  479    HA   ILE  63           HA       ILE  63   2.587  -4.505  -6.628
  480    HB   ILE  63           HB       ILE  63   1.415  -2.818  -8.834
  481   1HG1  ILE  63          2HG1      ILE  63  -0.373  -4.108  -7.721
  482   2HG1  ILE  63          1HG1      ILE  63  -0.063  -4.690  -9.353
  483   1HG2  ILE  63          1HG2      ILE  63   2.517  -4.181 -10.311
  484   2HG2  ILE  63          2HG2      ILE  63   2.574  -5.539  -9.186
  485   3HG2  ILE  63          3HG2      ILE  63   3.661  -4.166  -8.968
  486   1HD1  ILE  63          1HD1      ILE  63  -0.016  -6.708  -8.422
  487   2HD1  ILE  63          2HD1      ILE  63   0.189  -6.054  -6.797
  488   3HD1  ILE  63          3HD1      ILE  63   1.590  -6.262  -7.848
  489    H    GLY  64           H        GLY  64   4.658  -3.933  -6.542
  490   1HA   GLY  64          2HA       GLY  64   5.358  -1.109  -6.511
  491   2HA   GLY  64          1HA       GLY  64   6.419  -2.451  -6.109
  492    H    LYS  65           H        LYS  65   6.090  -0.027  -8.205
  493    HA   LYS  65           HA       LYS  65   6.461  -1.214 -10.736
  494   1HB   LYS  65          2HB       LYS  65   7.193   0.986 -11.471
  495   2HB   LYS  65          1HB       LYS  65   5.788   1.136 -10.425
  496   1HG   LYS  65          2HG       LYS  65   7.340   1.660  -8.542
  497   2HG   LYS  65          1HG       LYS  65   8.656   1.695  -9.717
  498   1HD   LYS  65          2HD       LYS  65   6.181   3.406  -9.910
  499   2HD   LYS  65          1HD       LYS  65   7.688   3.937  -9.162
  500   1HE   LYS  65          2HE       LYS  65   7.955   2.792 -11.859
  501   2HE   LYS  65          1HE       LYS  65   7.059   4.306 -11.771
  502   1HZ   LYS  65          1HZ       LYS  65   9.131   4.920 -10.255
  503   2HZ   LYS  65          2HZ       LYS  65   9.133   5.148 -11.931
  504   3HZ   LYS  65          3HZ       LYS  65   9.878   3.784 -11.263
  505    H    VAL  66           H        VAL  66   8.618  -0.446 -11.971
  506    HA   VAL  66           HA       VAL  66  10.668  -2.137 -10.965
  507    HB   VAL  66           HB       VAL  66  10.906  -0.100 -13.183
  508   1HG1  VAL  66          1HG1      VAL  66  12.370  -2.649 -13.295
  509   2HG1  VAL  66          2HG1      VAL  66  12.890  -1.533 -12.033
  510   3HG1  VAL  66          3HG1      VAL  66  12.890  -1.018 -13.720
  511   1HG2  VAL  66          1HG2      VAL  66   9.531  -2.708 -13.050
  512   2HG2  VAL  66          2HG2      VAL  66  10.543  -2.433 -14.468
  513   3HG2  VAL  66          3HG2      VAL  66   9.233  -1.316 -14.093
  514    H    ASP  67           H        ASP  67  10.148   1.339 -10.970
  515    HA   ASP  67           HA       ASP  67  11.184   3.045  -9.883
  516   1HB   ASP  67          2HB       ASP  67  12.319   0.780  -8.230
  517   2HB   ASP  67          1HB       ASP  67  12.467   2.487  -7.820
  518    H    GLU  68           H        GLU  68  12.331   2.366 -12.244
  519    HA   GLU  68           HA       GLU  68  15.225   2.440 -11.727
  520   1HB   GLU  68          2HB       GLU  68  15.550   1.637 -13.985
  521   2HB   GLU  68          1HB       GLU  68  14.418   0.579 -13.154
  522   1HG   GLU  68          2HG       GLU  68  12.556   1.776 -14.265
  523   2HG   GLU  68          1HG       GLU  68  13.746   2.712 -15.168
  524    H    SER  69           H        SER  69  13.594   4.729 -11.391
  525    HA   SER  69           HA       SER  69  14.897   6.499 -13.309
  526   1HB   SER  69          2HB       SER  69  11.960   6.098 -13.083
  527   2HB   SER  69          1HB       SER  69  12.527   7.760 -13.247
  528    HG   SER  69           HG       SER  69  13.201   7.356 -15.228
  529    H    LYS  70           H        LYS  70  15.109   5.836 -10.415
  530    HA   LYS  70           HA       LYS  70  15.022   8.587  -9.439
  531   1HB   LYS  70          2HB       LYS  70  13.887   6.256  -7.881
  532   2HB   LYS  70          1HB       LYS  70  14.032   7.910  -7.304
  533   1HG   LYS  70          2HG       LYS  70  12.390   7.124  -9.697
  534   2HG   LYS  70          1HG       LYS  70  11.746   7.240  -8.057
  535   1HD   LYS  70          2HD       LYS  70  12.475   9.602  -7.979
  536   2HD   LYS  70          1HD       LYS  70  13.008   9.466  -9.656
  537   1HE   LYS  70          2HE       LYS  70  10.202   8.748  -8.922
  538   2HE   LYS  70          1HE       LYS  70  10.652  10.442  -9.106
  539   1HZ   LYS  70          1HZ       LYS  70  11.097  10.170 -11.338
  540   2HZ   LYS  70          2HZ       LYS  70   9.765   9.149 -11.131
  541   3HZ   LYS  70          3HZ       LYS  70  11.323   8.498 -11.215
  542    H    LYS  71           H        LYS  71  15.888   5.243  -8.571
  543    HA   LYS  71           HA       LYS  71  18.162   6.190  -7.029
  544   1HB   LYS  71          2HB       LYS  71  17.158   3.392  -7.576
  545   2HB   LYS  71          1HB       LYS  71  18.491   3.791  -6.502
  546   1HG   LYS  71          2HG       LYS  71  17.065   4.864  -4.965
  547   2HG   LYS  71          1HG       LYS  71  15.724   4.888  -6.112
  548   1HD   LYS  71          2HD       LYS  71  15.308   3.159  -4.503
  549   2HD   LYS  71          1HD       LYS  71  15.711   2.396  -6.043
  550   1HE   LYS  71          2HE       LYS  71  17.122   1.172  -4.790
  551   2HE   LYS  71          1HE       LYS  71  18.165   2.587  -4.922
  552   1HZ   LYS  71          1HZ       LYS  71  17.848   1.705  -2.622
  553   2HZ   LYS  71          2HZ       LYS  71  16.232   2.196  -2.708
  554   3HZ   LYS  71          3HZ       LYS  71  17.470   3.344  -2.805
  555    H    ARG  72           H        ARG  72  20.326   5.380  -7.400
  556    HA   ARG  72           HA       ARG  72  20.888   5.137 -10.268
  557   1HB   ARG  72          2HB       ARG  72  22.668   5.890  -7.944
  558   2HB   ARG  72          1HB       ARG  72  23.225   5.726  -9.602
  559   1HG   ARG  72          2HG       ARG  72  21.733   7.523 -10.295
  560   2HG   ARG  72          1HG       ARG  72  21.147   7.679  -8.637
  561   1HD   ARG  72          2HD       ARG  72  23.999   8.090  -9.530
  562   2HD   ARG  72          1HD       ARG  72  22.839   9.374  -9.198
  563    HE   ARG  72           HE       ARG  72  23.076   8.988  -6.930
  564   1HH1  ARG  72          1HH1      ARG  72  24.797   6.548  -8.744
  565   2HH1  ARG  72          2HH1      ARG  72  25.654   5.952  -7.364
  566   1HH2  ARG  72          1HH2      ARG  72  24.203   8.202  -5.119
  567   2HH2  ARG  72          2HH2      ARG  72  25.318   6.890  -5.307
  568    H    LYS  73           H        LYS  73  21.449   3.242 -11.092
  569    HA   LYS  73           HA       LYS  73  22.563   1.195  -9.286
  570   1HB   LYS  73          2HB       LYS  73  20.864   0.731 -11.743
  571   2HB   LYS  73          1HB       LYS  73  21.478  -0.504 -10.652
  572   1HG   LYS  73          2HG       LYS  73  19.605   1.682  -9.784
  573   2HG   LYS  73          1HG       LYS  73  19.066   0.099 -10.353
  574   1HD   LYS  73          2HD       LYS  73  19.203  -0.500  -8.195
  575   2HD   LYS  73          1HD       LYS  73  20.941  -0.584  -8.490
  576   1HE   LYS  73          2HE       LYS  73  21.355   1.206  -7.211
  577   2HE   LYS  73          1HE       LYS  73  19.994   2.108  -7.874
  578   1HZ   LYS  73          1HZ       LYS  73  18.519   1.079  -6.367
  579   2HZ   LYS  73          2HZ       LYS  73  19.853   1.568  -5.449
  580   3HZ   LYS  73          3HZ       LYS  73  19.673  -0.058  -5.877
  581    H    ASP  74           H        ASP  74  24.191  -0.163 -10.098
  582    HA   ASP  74           HA       ASP  74  25.387   0.662 -12.655
  583   1HB   ASP  74          2HB       ASP  74  26.832   0.228 -10.036
  584   2HB   ASP  74          1HB       ASP  74  27.639   0.391 -11.594
  585    H    ASN  75           H        ASN  75  26.955  -0.946 -13.502
  586    HA   ASN  75           HA       ASN  75  25.852  -3.615 -13.197
  587   1HB   ASN  75          2HB       ASN  75  26.380  -2.471 -15.432
  588   2HB   ASN  75          1HB       ASN  75  28.069  -2.816 -15.070
  589   1HD2  ASN  75          1HD2      ASN  75  27.327  -3.896 -17.280
  590   2HD2  ASN  75          2HD2      ASN  75  26.979  -5.582 -17.136
  591    H    GLU  76           H        GLU  76  28.164  -1.949 -11.594
  592    HA   GLU  76           HA       GLU  76  30.125  -4.096 -11.454
  593   1HB   GLU  76          2HB       GLU  76  30.038  -1.392 -10.107
  594   2HB   GLU  76          1HB       GLU  76  31.366  -2.538  -9.976
  595   1HG   GLU  76          2HG       GLU  76  31.705  -2.384 -12.408
  596   2HG   GLU  76          1HG       GLU  76  30.420  -1.181 -12.491
  597    H    GLY  77           H        GLY  77  27.652  -4.913 -10.531
  598   1HA   GLY  77          2HA       GLY  77  27.024  -6.282  -8.750
  599   2HA   GLY  77          1HA       GLY  77  28.330  -5.600  -7.796
  600    H    ASN  78           H        ASN  78  26.061  -3.541  -9.447
  601    HA   ASN  78           HA       ASN  78  24.815  -2.904  -6.854
  602   1HB   ASN  78          2HB       ASN  78  25.660  -1.062  -9.088
  603   2HB   ASN  78          1HB       ASN  78  24.540  -0.566  -7.823
  604   1HD2  ASN  78          1HD2      ASN  78  27.772  -0.935  -8.714
  605   2HD2  ASN  78          2HD2      ASN  78  28.493  -0.574  -7.186
  606    H    GLU  79           H        GLU  79  23.932  -4.782  -8.937
  607    HA   GLU  79           HA       GLU  79  21.346  -3.517  -9.565
  608   1HB   GLU  79          2HB       GLU  79  22.734  -3.833 -11.598
  609   2HB   GLU  79          1HB       GLU  79  22.794  -5.558 -11.261
  610   1HG   GLU  79          2HG       GLU  79  20.336  -5.646 -11.459
  611   2HG   GLU  79          1HG       GLU  79  20.340  -3.940 -11.901
  612    H    VAL  80           H        VAL  80  19.514  -4.739  -9.255
  613    HA   VAL  80           HA       VAL  80  19.894  -7.431  -8.125
  614    HB   VAL  80           HB       VAL  80  18.049  -6.989  -6.543
  615   1HG1  VAL  80          1HG1      VAL  80  20.059  -6.792  -5.458
  616   2HG1  VAL  80          2HG1      VAL  80  19.394  -5.179  -5.195
  617   3HG1  VAL  80          3HG1      VAL  80  20.593  -5.444  -6.461
  618   1HG2  VAL  80          1HG2      VAL  80  16.704  -5.297  -7.194
  619   2HG2  VAL  80          2HG2      VAL  80  18.013  -4.418  -7.984
  620   3HG2  VAL  80          3HG2      VAL  80  17.819  -4.323  -6.235
  621    H    VAL  81           H        VAL  81  18.283  -8.939  -8.552
  622    HA   VAL  81           HA       VAL  81  16.796  -8.476 -10.960
  623    HB   VAL  81           HB       VAL  81  16.560 -10.897  -9.181
  624   1HG1  VAL  81          1HG1      VAL  81  16.494 -11.097 -12.118
  625   2HG1  VAL  81          2HG1      VAL  81  15.136 -10.249 -11.376
  626   3HG1  VAL  81          3HG1      VAL  81  15.507 -11.907 -10.900
  627   1HG2  VAL  81          1HG2      VAL  81  18.918 -10.543  -9.563
  628   2HG2  VAL  81          2HG2      VAL  81  18.638 -10.314 -11.289
  629   3HG2  VAL  81          3HG2      VAL  81  18.362 -11.893 -10.552
  630    HA   PRO  82           HA       PRO  82  13.012  -8.874  -8.046
  631   1HB   PRO  82          2HB       PRO  82  13.340  -8.833  -5.386
  632   2HB   PRO  82          1HB       PRO  82  13.544 -10.320  -6.320
  633   1HG   PRO  82          2HG       PRO  82  15.623  -8.460  -5.240
  634   2HG   PRO  82          1HG       PRO  82  15.607 -10.232  -5.259
  635   1HD   PRO  82          2HD       PRO  82  16.976  -8.685  -7.066
  636   2HD   PRO  82          1HD       PRO  82  16.411 -10.333  -7.397
  637    H    LYS  83           H        LYS  83  13.160  -6.679  -9.055
  638    HA   LYS  83           HA       LYS  83  13.742  -4.485  -7.245
  639   1HB   LYS  83          2HB       LYS  83  13.908  -4.783  -9.985
  640   2HB   LYS  83          1HB       LYS  83  12.470  -3.792  -9.786
  641   1HG   LYS  83          2HG       LYS  83  14.041  -2.159  -9.906
  642   2HG   LYS  83          1HG       LYS  83  14.053  -2.439  -8.164
  643   1HD   LYS  83          2HD       LYS  83  15.923  -4.106  -8.598
  644   2HD   LYS  83          1HD       LYS  83  16.012  -3.423 -10.223
  645   1HE   LYS  83          2HE       LYS  83  16.010  -1.466  -8.024
  646   2HE   LYS  83          1HE       LYS  83  17.429  -2.511  -8.105
  647   1HZ   LYS  83          1HZ       LYS  83  16.496  -1.235 -10.572
  648   2HZ   LYS  83          2HZ       LYS  83  18.067  -1.646 -10.100
  649   3HZ   LYS  83          3HZ       LYS  83  17.316  -0.281  -9.441
  650    HA   PRO  84           HA       PRO  84   8.941  -3.832  -8.152
  651   1HB   PRO  84          2HB       PRO  84   8.235  -6.688  -8.571
  652   2HB   PRO  84          1HB       PRO  84   7.597  -5.243  -9.361
  653   1HG   PRO  84          2HG       PRO  84   9.276  -6.868 -10.643
  654   2HG   PRO  84          1HG       PRO  84   9.372  -5.108 -10.846
  655   1HD   PRO  84          2HD       PRO  84  11.109  -6.930  -9.234
  656   2HD   PRO  84          1HD       PRO  84  11.551  -5.500 -10.189
  657    H    GLN  85           H        GLN  85   8.200  -3.463  -6.167
  658    HA   GLN  85           HA       GLN  85   8.472  -5.554  -4.128
  659   1HB   GLN  85          2HB       GLN  85   8.209  -2.567  -4.007
  660   2HB   GLN  85          1HB       GLN  85   7.819  -3.550  -2.602
  661   1HG   GLN  85          2HG       GLN  85  10.453  -3.717  -4.031
  662   2HG   GLN  85          1HG       GLN  85  10.150  -2.610  -2.693
  663   1HE2  GLN  85          1HE2      GLN  85  11.736  -5.241  -3.255
  664   2HE2  GLN  85          2HE2      GLN  85  11.459  -6.154  -1.815
  665    H    ARG  86           H        ARG  86   6.752  -6.680  -3.528
  666    HA   ARG  86           HA       ARG  86   4.090  -5.646  -4.218
  667   1HB   ARG  86          2HB       ARG  86   5.035  -8.463  -3.671
  668   2HB   ARG  86          1HB       ARG  86   3.356  -8.021  -3.952
  669   1HG   ARG  86          2HG       ARG  86   4.018  -7.146  -6.180
  670   2HG   ARG  86          1HG       ARG  86   5.645  -7.764  -5.889
  671   1HD   ARG  86          2HD       ARG  86   3.104  -9.385  -6.002
  672   2HD   ARG  86          1HD       ARG  86   4.368  -9.335  -7.230
  673    HE   ARG  86           HE       ARG  86   5.438 -10.112  -4.725
  674   1HH1  ARG  86          1HH1      ARG  86   3.509 -11.310  -7.377
  675   2HH1  ARG  86          2HH1      ARG  86   3.961 -12.962  -7.121
  676   1HH2  ARG  86          1HH2      ARG  86   6.031 -12.285  -4.389
  677   2HH2  ARG  86          2HH2      ARG  86   5.391 -13.517  -5.424
  678    H    HIS  87           H        HIS  87   2.581  -5.274  -2.699
  679    HA   HIS  87           HA       HIS  87   3.183  -6.067   0.071
  680   1HB   HIS  87          2HB       HIS  87   2.331  -3.381  -0.983
  681   2HB   HIS  87          1HB       HIS  87   1.998  -3.849   0.681
  682    HD1  HIS  87           HD1      HIS  87   3.812  -3.415   2.323
  683    HD2  HIS  87           HD2      HIS  87   5.212  -3.426  -1.590
  684    HE1  HIS  87           HE1      HIS  87   6.222  -2.711   2.471
  685    HE2  HIS  87           HE2      HIS  87   7.025  -2.642   0.082
  686    H    MET  88           H        MET  88   1.685  -7.488   0.661
  687    HA   MET  88           HA       MET  88  -1.032  -7.234  -0.407
  688   1HB   MET  88          2HB       MET  88   0.163  -9.412  -0.635
  689   2HB   MET  88          1HB       MET  88   0.194  -9.537   1.119
  690   1HG   MET  88          2HG       MET  88  -2.292  -9.455   1.102
  691   2HG   MET  88          1HG       MET  88  -2.232  -9.516  -0.659
  692   1HE   MET  88          1HE       MET  88  -1.068 -12.937  -1.570
  693   2HE   MET  88          2HE       MET  88   0.282 -11.926  -1.057
  694   3HE   MET  88          3HE       MET  88  -1.057 -11.216  -1.959
  695    H    PHE  89           H        PHE  89  -2.536  -6.312   0.803
  696    HA   PHE  89           HA       PHE  89  -2.174  -6.283   3.724
  697   1HB   PHE  89          2HB       PHE  89  -3.545  -4.336   1.871
  698   2HB   PHE  89          1HB       PHE  89  -3.757  -4.298   3.619
  699    HD1  PHE  89           HD1      PHE  89  -1.754  -3.923   5.075
  700    HD2  PHE  89           HD2      PHE  89  -1.661  -3.383   0.855
  701    HE1  PHE  89           HE1      PHE  89   0.284  -2.559   5.297
  702    HE2  PHE  89           HE2      PHE  89   0.376  -2.023   1.068
  703    HZ   PHE  89           HZ       PHE  89   1.353  -1.608   3.292
  704    H    SER  90           H        SER  90  -4.061  -6.469   5.055
  705    HA   SER  90           HA       SER  90  -6.292  -7.884   3.747
  706   1HB   SER  90          2HB       SER  90  -5.903  -8.622   6.541
  707   2HB   SER  90          1HB       SER  90  -6.079  -9.653   5.123
  708    HG   SER  90           HG       SER  90  -3.946  -9.692   4.859
  709    H    PHE  91           H        PHE  91  -8.160  -6.848   3.971
  710    HA   PHE  91           HA       PHE  91  -8.416  -4.834   6.068
  711   1HB   PHE  91          2HB       PHE  91  -9.744  -5.309   3.435
  712   2HB   PHE  91          1HB       PHE  91 -10.596  -4.381   4.665
  713    HD1  PHE  91           HD1      PHE  91  -7.614  -4.501   2.525
  714    HD2  PHE  91           HD2      PHE  91  -9.934  -2.181   5.233
  715    HE1  PHE  91           HE1      PHE  91  -6.343  -2.499   1.882
  716    HE2  PHE  91           HE2      PHE  91  -8.666  -0.165   4.594
  717    HZ   PHE  91           HZ       PHE  91  -6.868  -0.322   2.916
  718    H    ASN  92           H        ASN  92  -9.869  -4.915   7.667
  719    HA   ASN  92           HA       ASN  92 -11.394  -7.394   7.957
  720   1HB   ASN  92          2HB       ASN  92 -11.592  -6.793  10.316
  721   2HB   ASN  92          1HB       ASN  92  -9.904  -6.738   9.815
  722   1HD2  ASN  92          1HD2      ASN  92 -10.677  -5.471  12.081
  723   2HD2  ASN  92          2HD2      ASN  92 -10.612  -3.758  11.858
  724    H    ASN  93           H        ASN  93 -11.988  -4.687   6.433
  725    HA   ASN  93           HA       ASN  93 -14.811  -4.789   6.969
  726   1HB   ASN  93          2HB       ASN  93 -13.972  -3.161   8.651
  727   2HB   ASN  93          1HB       ASN  93 -13.341  -2.177   7.335
  728   1HD2  ASN  93          1HD2      ASN  93 -16.355  -3.735   8.365
  729   2HD2  ASN  93          2HD2      ASN  93 -17.389  -2.435   7.888
  730    H    ARG  94           H        ARG  94 -15.715  -4.885   5.042
  731    HA   ARG  94           HA       ARG  94 -14.405  -4.272   2.641
  732   1HB   ARG  94          2HB       ARG  94 -16.444  -5.795   3.053
  733   2HB   ARG  94          1HB       ARG  94 -17.400  -4.325   2.919
  734   1HG   ARG  94          2HG       ARG  94 -15.486  -4.711   0.740
  735   2HG   ARG  94          1HG       ARG  94 -16.730  -5.956   0.849
  736   1HD   ARG  94          2HD       ARG  94 -17.137  -2.980   0.609
  737   2HD   ARG  94          1HD       ARG  94 -17.514  -4.209  -0.598
  738    HE   ARG  94           HE       ARG  94 -18.935  -4.809   1.731
  739   1HH1  ARG  94          1HH1      ARG  94 -18.842  -2.349  -0.743
  740   2HH1  ARG  94          2HH1      ARG  94 -20.525  -1.963  -0.597
  741   1HH2  ARG  94          1HH2      ARG  94 -21.147  -4.302   1.924
  742   2HH2  ARG  94          2HH2      ARG  94 -21.832  -3.072   0.918
  743    H    THR  95           H        THR  95 -16.356  -2.326   4.772
  744    HA   THR  95           HA       THR  95 -16.842  -0.237   2.913
  745    HB   THR  95           HB       THR  95 -17.396  -0.797   5.729
  746    HG1  THR  95           HG1      THR  95 -18.892  -0.693   3.890
  747   1HG2  THR  95          1HG2      THR  95 -16.255   1.142   6.329
  748   2HG2  THR  95          2HG2      THR  95 -17.943   1.636   6.182
  749   3HG2  THR  95          3HG2      THR  95 -16.797   2.012   4.895
  750    H    VAL  96           H        VAL  96 -14.582  -0.725   5.548
  751    HA   VAL  96           HA       VAL  96 -13.214   1.727   5.230
  752    HB   VAL  96           HB       VAL  96 -12.189  -0.832   6.463
  753   1HG1  VAL  96          1HG1      VAL  96 -10.423   0.791   5.888
  754   2HG1  VAL  96          2HG1      VAL  96 -10.589   0.558   7.628
  755   3HG1  VAL  96          3HG1      VAL  96 -11.249   2.005   6.864
  756   1HG2  VAL  96          1HG2      VAL  96 -12.952   1.271   8.301
  757   2HG2  VAL  96          2HG2      VAL  96 -13.427  -0.427   8.271
  758   3HG2  VAL  96          3HG2      VAL  96 -14.311   0.751   7.303
  759    H    MET  97           H        MET  97 -12.917  -1.407   3.765
  760    HA   MET  97           HA       MET  97 -10.352  -0.936   2.593
  761   1HB   MET  97          2HB       MET  97 -10.485  -3.063   1.782
  762   2HB   MET  97          1HB       MET  97 -11.693  -3.185   3.049
  763   1HG   MET  97          2HG       MET  97 -12.890  -4.098   1.374
  764   2HG   MET  97          1HG       MET  97 -13.276  -2.411   1.054
  765   1HE   MET  97          1HE       MET  97 -12.957  -5.078  -1.643
  766   2HE   MET  97          2HE       MET  97 -12.423  -5.523  -0.021
  767   3HE   MET  97          3HE       MET  97 -11.265  -5.486  -1.352
  768    H    ASP  98           H        ASP  98 -13.673  -0.402   1.622
  769    HA   ASP  98           HA       ASP  98 -13.074   0.161  -1.102
  770   1HB   ASP  98          2HB       ASP  98 -15.322  -0.574  -0.239
  771   2HB   ASP  98          1HB       ASP  98 -15.511   1.037   0.448
  772    H    ASN  99           H        ASN  99 -13.169   1.990   1.832
  773    HA   ASN  99           HA       ASN  99 -13.227   4.563   0.622
  774   1HB   ASN  99          2HB       ASN  99 -12.669   3.545   3.383
  775   2HB   ASN  99          1HB       ASN  99 -12.314   5.222   2.981
  776   1HD2  ASN  99          1HD2      ASN  99 -14.942   2.919   2.343
  777   2HD2  ASN  99          2HD2      ASN  99 -16.217   3.988   2.805
  778    H    ILE 100           H        ILE 100 -10.751   2.306   1.482
  779    HA   ILE 100           HA       ILE 100  -8.597   4.210   1.110
  780    HB   ILE 100           HB       ILE 100  -8.503   1.220   1.553
  781   1HG1  ILE 100          2HG1      ILE 100  -9.475   2.569   3.426
  782   2HG1  ILE 100          1HG1      ILE 100  -7.993   1.720   3.853
  783   1HG2  ILE 100          1HG2      ILE 100  -6.492   1.894   0.469
  784   2HG2  ILE 100          2HG2      ILE 100  -6.126   1.672   2.180
  785   3HG2  ILE 100          3HG2      ILE 100  -6.324   3.297   1.524
  786   1HD1  ILE 100          1HD1      ILE 100  -6.742   3.687   3.882
  787   2HD1  ILE 100          2HD1      ILE 100  -8.268   4.118   4.655
  788   3HD1  ILE 100          3HD1      ILE 100  -7.964   4.585   2.981
  789    H    LYS 101           H        LYS 101  -9.940   1.390  -0.561
  790    HA   LYS 101           HA       LYS 101  -8.074   1.196  -2.620
  791   1HB   LYS 101          2HB       LYS 101  -9.772  -0.516  -2.172
  792   2HB   LYS 101          1HB       LYS 101 -11.033   0.585  -2.711
  793   1HG   LYS 101          2HG       LYS 101 -10.247   0.525  -4.950
  794   2HG   LYS 101          1HG       LYS 101  -8.774  -0.322  -4.475
  795   1HD   LYS 101          2HD       LYS 101 -10.135  -1.999  -5.375
  796   2HD   LYS 101          1HD       LYS 101 -10.335  -2.169  -3.630
  797   1HE   LYS 101          2HE       LYS 101 -12.449  -2.285  -5.005
  798   2HE   LYS 101          1HE       LYS 101 -12.454  -1.129  -3.674
  799   1HZ   LYS 101          1HZ       LYS 101 -11.669  -0.237  -6.364
  800   2HZ   LYS 101          2HZ       LYS 101 -12.357   0.651  -5.100
  801   3HZ   LYS 101          3HZ       LYS 101 -13.310  -0.421  -5.996
  802    H    MET 102           H        MET 102 -10.960   3.218  -2.346
  803    HA   MET 102           HA       MET 102 -10.728   4.238  -5.010
  804   1HB   MET 102          2HB       MET 102 -12.386   5.132  -2.656
  805   2HB   MET 102          1HB       MET 102 -12.485   5.860  -4.253
  806   1HG   MET 102          2HG       MET 102 -13.116   3.648  -5.170
  807   2HG   MET 102          1HG       MET 102 -13.133   3.014  -3.526
  808   1HE   MET 102          1HE       MET 102 -16.449   2.638  -3.468
  809   2HE   MET 102          2HE       MET 102 -15.180   2.178  -4.604
  810   3HE   MET 102          3HE       MET 102 -16.551   3.141  -5.156
  811    H    THR 103           H        THR 103  -9.884   5.388  -1.812
  812    HA   THR 103           HA       THR 103  -9.046   7.957  -2.669
  813    HB   THR 103           HB       THR 103  -9.679   7.128  -0.279
  814    HG1  THR 103           HG1      THR 103  -7.510   8.894  -0.732
  815   1HG2  THR 103          1HG2      THR 103  -6.820   7.024   0.339
  816   2HG2  THR 103          2HG2      THR 103  -7.464   5.591  -0.457
  817   3HG2  THR 103          3HG2      THR 103  -8.176   6.154   1.054
  818    H    LEU 104           H        LEU 104  -7.495   4.850  -2.411
  819    HA   LEU 104           HA       LEU 104  -4.822   5.811  -2.680
  820   1HB   LEU 104          2HB       LEU 104  -6.123   3.121  -2.984
  821   2HB   LEU 104          1HB       LEU 104  -4.442   3.357  -3.418
  822    HG   LEU 104           HG       LEU 104  -5.644   3.789  -0.683
  823   1HD1  LEU 104          1HD1      LEU 104  -3.774   1.679  -1.751
  824   2HD1  LEU 104          2HD1      LEU 104  -5.445   1.443  -1.236
  825   3HD1  LEU 104          3HD1      LEU 104  -4.211   1.888  -0.055
  826   1HD2  LEU 104          1HD2      LEU 104  -3.896   5.381  -0.976
  827   2HD2  LEU 104          2HD2      LEU 104  -2.843   4.177  -1.720
  828   3HD2  LEU 104          3HD2      LEU 104  -3.247   4.057  -0.008
  829    H    GLN 105           H        GLN 105  -7.356   4.825  -4.902
  830    HA   GLN 105           HA       GLN 105  -5.739   4.683  -7.217
  831   1HB   GLN 105          2HB       GLN 105  -8.688   5.024  -6.764
  832   2HB   GLN 105          1HB       GLN 105  -8.012   5.111  -8.384
  833   1HG   GLN 105          2HG       GLN 105  -7.073   2.857  -8.085
  834   2HG   GLN 105          1HG       GLN 105  -7.831   2.775  -6.496
  835   1HE2  GLN 105          1HE2      GLN 105 -10.277   3.810  -6.909
  836   2HE2  GLN 105          2HE2      GLN 105 -11.167   2.848  -8.034
  837    H    GLN 106           H        GLN 106  -7.313   7.293  -5.552
  838    HA   GLN 106           HA       GLN 106  -7.156   9.218  -7.611
  839   1HB   GLN 106          2HB       GLN 106  -7.214   9.563  -4.607
  840   2HB   GLN 106          1HB       GLN 106  -7.383  10.881  -5.759
  841   1HG   GLN 106          2HG       GLN 106  -9.417   9.883  -6.632
  842   2HG   GLN 106          1HG       GLN 106  -9.237   8.520  -5.528
  843   1HE2  GLN 106          1HE2      GLN 106 -11.523  10.062  -5.590
  844   2HE2  GLN 106          2HE2      GLN 106 -11.650  10.951  -4.115
  845    H    ILE 107           H        ILE 107  -4.951   8.318  -4.994
  846    HA   ILE 107           HA       ILE 107  -3.038  10.320  -5.359
  847    HB   ILE 107           HB       ILE 107  -2.638   7.453  -4.489
  848   1HG1  ILE 107          2HG1      ILE 107  -2.788   9.930  -2.772
  849   2HG1  ILE 107          1HG1      ILE 107  -4.205   8.959  -3.156
  850   1HG2  ILE 107          1HG2      ILE 107  -0.713   9.228  -3.376
  851   2HG2  ILE 107          2HG2      ILE 107  -0.711   9.424  -5.129
  852   3HG2  ILE 107          3HG2      ILE 107  -0.458   7.829  -4.420
  853   1HD1  ILE 107          1HD1      ILE 107  -2.368   7.113  -2.247
  854   2HD1  ILE 107          2HD1      ILE 107  -3.724   7.786  -1.341
  855   3HD1  ILE 107          3HD1      ILE 107  -2.122   8.513  -1.203
  856    H    ILE 108           H        ILE 108  -3.415   7.168  -6.898
  857    HA   ILE 108           HA       ILE 108  -1.126   7.039  -8.452
  858    HB   ILE 108           HB       ILE 108  -3.811   6.244  -9.532
  859   1HG1  ILE 108          2HG1      ILE 108  -3.927   5.369  -7.347
  860   2HG1  ILE 108          1HG1      ILE 108  -3.391   4.028  -8.352
  861   1HG2  ILE 108          1HG2      ILE 108  -0.992   5.362  -9.936
  862   2HG2  ILE 108          2HG2      ILE 108  -2.211   5.824 -11.125
  863   3HG2  ILE 108          3HG2      ILE 108  -2.332   4.272 -10.294
  864   1HD1  ILE 108          1HD1      ILE 108  -1.564   5.750  -6.701
  865   2HD1  ILE 108          2HD1      ILE 108  -1.136   4.285  -7.584
  866   3HD1  ILE 108          3HD1      ILE 108  -2.212   4.192  -6.190
  867    H    SER 109           H        SER 109  -4.253   8.358  -9.272
  868    HA   SER 109           HA       SER 109  -3.655   9.347 -11.808
  869   1HB   SER 109          2HB       SER 109  -5.950   9.151 -10.840
  870   2HB   SER 109          1HB       SER 109  -5.606  10.569  -9.850
  871    HG   SER 109           HG       SER 109  -6.097  10.374 -12.579
  872    H    ARG 110           H        ARG 110  -2.905  10.608  -8.681
  873    HA   ARG 110           HA       ARG 110  -2.333  13.260  -9.533
  874   1HB   ARG 110          2HB       ARG 110  -2.454  13.573  -7.326
  875   2HB   ARG 110          1HB       ARG 110  -2.453  11.837  -7.057
  876   1HG   ARG 110          2HG       ARG 110  -0.009  11.842  -7.039
  877   2HG   ARG 110          1HG       ARG 110  -0.015  13.587  -7.305
  878   1HD   ARG 110          2HD       ARG 110  -1.175  12.140  -4.925
  879   2HD   ARG 110          1HD       ARG 110   0.326  13.064  -4.949
  880    HE   ARG 110           HE       ARG 110  -2.348  14.103  -4.780
  881   1HH1  ARG 110          1HH1      ARG 110   0.943  14.811  -5.703
  882   2HH1  ARG 110          2HH1      ARG 110   0.758  16.523  -5.518
  883   1HH2  ARG 110          1HH2      ARG 110  -2.593  16.354  -4.535
  884   2HH2  ARG 110          2HH2      ARG 110  -1.249  17.399  -4.854
  885    H    TYR 111           H        TYR 111  -0.525  10.308  -9.231
  886    HA   TYR 111           HA       TYR 111   2.050  11.483  -9.545
  887   1HB   TYR 111          2HB       TYR 111   0.976   8.691  -9.680
  888   2HB   TYR 111          1HB       TYR 111   2.609   9.021 -10.251
  889    HD1  TYR 111           HD1      TYR 111   4.258  10.069  -8.638
  890    HD2  TYR 111           HD2      TYR 111   0.524   8.461  -7.383
  891    HE1  TYR 111           HE1      TYR 111   5.096   9.941  -6.330
  892    HE2  TYR 111           HE2      TYR 111   1.353   8.329  -5.072
  893    HH   TYR 111           HH       TYR 111   4.295   9.815  -4.083
  894    H    LYS 112           H        LYS 112  -0.434  10.424 -11.703
  895    HA   LYS 112           HA       LYS 112   1.151  10.264 -14.051
  896   1HB   LYS 112          2HB       LYS 112  -1.821  10.630 -13.662
  897   2HB   LYS 112          1HB       LYS 112  -1.063  10.392 -15.229
  898   1HG   LYS 112          2HG       LYS 112  -0.176   8.222 -14.405
  899   2HG   LYS 112          1HG       LYS 112  -1.106   8.458 -12.924
  900   1HD   LYS 112          2HD       LYS 112  -2.701   8.826 -15.333
  901   2HD   LYS 112          1HD       LYS 112  -1.990   7.215 -15.225
  902   1HE   LYS 112          2HE       LYS 112  -2.877   7.545 -12.690
  903   2HE   LYS 112          1HE       LYS 112  -4.077   8.483 -13.581
  904   1HZ   LYS 112          1HZ       LYS 112  -5.034   6.458 -13.733
  905   2HZ   LYS 112          2HZ       LYS 112  -3.575   5.612 -13.597
  906   3HZ   LYS 112          3HZ       LYS 112  -4.014   6.311 -15.075
  907    H    ASP 113           H        ASP 113  -0.774  12.807 -12.541
  908    HA   ASP 113           HA       ASP 113  -0.673  14.692 -14.606
  909   1HB   ASP 113          2HB       ASP 113  -2.113  14.847 -12.571
  910   2HB   ASP 113          1HB       ASP 113  -0.681  15.267 -11.637
  911    H    ALA 114           H        ALA 114   1.622  13.943 -12.043
  912    HA   ALA 114           HA       ALA 114   3.330  16.145 -12.362
  913   1HB   ALA 114          1HB       ALA 114   4.926  14.924 -11.096
  914   2HB   ALA 114          2HB       ALA 114   4.198  13.381 -11.541
  915   3HB   ALA 114          3HB       ALA 114   3.338  14.486 -10.470
  916    H    ASP 115           H        ASP 115   3.068  13.123 -14.114
  917    HA   ASP 115           HA       ASP 115   5.203  14.052 -15.922
  918   1HB   ASP 115          2HB       ASP 115   4.514  11.219 -15.114
  919   2HB   ASP 115          1HB       ASP 115   5.622  11.629 -16.420
  Start of MODEL   15
    1    HT1  PRO   1           HT2      PRO   1 -10.349  12.296   7.067
    2    HT2  PRO   1           HT1      PRO   1 -10.775  11.532   5.604
    3    HA   PRO   1           HA       PRO   1 -10.674  10.496   8.146
    4   1HB   PRO   1          2HB       PRO   1 -13.218   9.568   7.595
    5   2HB   PRO   1          1HB       PRO   1 -12.815  10.793   8.805
    6   1HG   PRO   1          2HG       PRO   1 -13.855  11.138   6.034
    7   2HG   PRO   1          1HG       PRO   1 -14.184  12.098   7.484
    8   1HD   PRO   1          2HD       PRO   1 -12.515  12.938   5.504
    9   2HD   PRO   1          1HD       PRO   1 -12.295  13.398   7.205
   10    H    SER   2           H        SER   2 -11.986  10.168   4.907
   11    HA   SER   2           HA       SER   2 -11.800   7.393