*HEADER    LIGASE                                  11-JUN-14   2MQ1              
*TITLE     PHOSPHOTYROSINE BINDING DOMAIN                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE HAKAI;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 106-194;                                      
*COMPND   5 SYNONYM: CASITAS B-LINEAGE LYMPHOMA-TRANSFORMING SEQUENCE-LIKE       
*COMPND   6 PROTEIN 1, E-CADHERIN BINDING PROTEIN E7, C-CBL-LIKE PROTEIN 1;      
*COMPND   7 EC: 6.3.2.-;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: CBLL1, HAKAI;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PGEX6P-1                                   
*KEYWDS    PHOSPHOTYROSINE BINDING, LIGASE                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.MUKHERJEE, F.JING-SONG, J.SIVARAMAN                                 
*REVDAT   1   06-AUG-14 2MQ1    0                                                



assign (resid 1 and name HA )(resid 2 and name HN ) 2.9 1.1 0.0
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assign (resid 1 and name HG# )(resid 2 and name HN ) 2.9 1.1 2.4


assign (resid 2 and name HA )(resid 2 and name HN ) 3.5 1.7 0.0
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assign (resid 2 and name HB# )(resid 2 and name HN ) 2.9 1.1 0.6
assign (resid 2 and name HB# )(resid 3 and name HN ) 3.5 1.7 1.0
assign (resid 2 and name HD2 )(resid 3 and name HN ) 3.5 1.7 0.0
assign (resid 2 and name HN )(resid 11 and name HB ) 5 3.2 0.0
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assign (resid 2 and name HN )(resid 14 and name HE# ) 5 3.2 2.0
assign (resid 2 and name HN )(resid 3 and name HN ) 3.5 1.7 0.0


assign (resid 3 and name HA )(resid 11 and name HN ) 5.0 3.2 0.0
assign (resid 3 and name HA )(resid 3 and name HN ) 2.9 1.1 0.0
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assign (resid 4 and name HA )(resid 25 and name HN ) 5 3.2 0.0
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assign (resid 4 and name HB# )(resid 4 and name HN ) 2.9 1.1 0.6
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assign (resid 4 and name HN )(resid 11 and name HN ) 3.5 1.7 0.0
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assign (resid 5 and name HA )(resid 5 and name HN ) 2.9 1.1 0.0
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assign (resid 5 and name HB# )(resid 5 and name HN ) 2.9 1.1 0.6
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assign (resid 5 and name HN )(resid 11 and name HD# ) 3.5 1.7 1.5
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assign (resid 6 and name HA )(resid 6 and name HN ) 2.9 1.1 0.0
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assign (resid 6 and name HB# )(resid 8 and name HN ) 5 3.2 1.0
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assign (resid 6 and name HD# )(resid 7 and name HN ) 5 3.2 1.0
assign (resid 6 and name HE# )(resid 6 and name HN ) 5 3.2 1.0
assign (resid 6 and name HG# )(resid 6 and name HN ) 3.5 1.7 1.0
assign (resid 6 and name HG# )(resid 7 and name HN ) 5 3.2 1.0
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assign (resid 6 and name HN )(resid 24 and name HD# ) 2.9 1.1 2.0
assign (resid 6 and name HN )(resid 24 and name HE# ) 3.5 1.7 2.0
assign (resid 6 and name HN )(resid 7 and name HA ) 5 3.2 0.0
assign (resid 6 and name HN )(resid 7 and name HN ) 2.9 1.1 0.0
assign (resid 6 and name HN )(resid 8 and name HN ) 3.5 1.7 0.0
assign (resid 6 and name HN )(resid 25 and name HN ) 5.0 3.2 0.0


assign (resid 7 and name HA )(resid 7 and name HN ) 2.9 1.1 0.0
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assign (resid 7 and name HB# )(resid 9 and name HN ) 5 3.2 1.0
assign (resid 7 and name HN )(resid 24 and name HD# ) 5 3.2 2.0
assign (resid 7 and name HN )(resid 8 and name HA# ) 5 3.2 1.0
assign (resid 7 and name HN )(resid 8 and name HN ) 2.9 1.1 0.0
assign (resid 7 and name HN )(resid 9 and name HN ) 5.0 3.2 0.0


assign (resid 8 and name HA# )(resid 8 and name HN ) 2.9 1.1 0.6
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assign (resid 8 and name HN )(resid 9 and name HN ) 2.9 1.1 0.0


assign (resid 9 and name HA )(resid 9 and name HN ) 3.5 1.7 0.0
assign (resid 9 and name HB# )(resid 9 and name HN ) 2.9 1.1 0.6
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assign (resid 10 and name HD# )(resid 9 and name HN ) 5.0 3.2 1.5
assign (resid 9 and name HA )(resid 10 and name HD# ) 5.0 3.2 1.5


assign (resid 10 and name HA )(resid 11 and name HN ) 2.9 1.1 0.0
assign (resid 10 and name HB# )(resid 11 and name HN ) 2.9 1.1 1.0


assign (resid 11 and name HA )(resid 11 and name HN ) 2.9 1.1 0.0
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assign (resid 11 and name HA )(resid 13 and name HN ) 3.5 1.7 0.0
assign (resid 11 and name HB )(resid 12 and name HN ) 5 3.2 0.0
assign (resid 11 and name HD# )(resid 12 and name HN ) 5 3.2 1.5
assign (resid 11 and name HD# )(resid 24 and name HN ) 5 3.2 1.5
assign (resid 11 and name HD# )(resid 25 and name HN ) 3.5 1.7 1.5
assign (resid 11 and name HD# )(resid 26 and name HN ) 5 3.2 1.5
assign (resid 11 and name HG11 )(resid 25 and name HN ) 5 3.2 0.0
assign (resid 11 and name HG12 )(resid 12 and name HN ) 5 3.2 0.0
assign (resid 11 and name HG12 )(resid 13 and name HN ) 5 3.2 0.0
assign (resid 11 and name HG12 )(resid 25 and name HN ) 5 3.2 0.0
assign (resid 11 and name HG2# )(resid 11 and name HN ) 3.5 1.7 1.5
assign (resid 11 and name HG2# )(resid 12 and name HN ) 3.5 1.7 1.5
assign (resid 11 and name HG2# )(resid 13 and name HN ) 2.9 1.1 1.5
assign (resid 11 and name HG2# )(resid 14 and name HN ) 3.5 1.7 1.5
assign (resid 11 and name HG2# )(resid 15 and name HN ) 3.5 1.7 1.5
assign (resid 11 and name HG2# )(resid 25 and name HN ) 5 3.2 1.5
assign (resid 11 and name HG2# )(resid 26 and name HN ) 3.5 1.7 1.5
assign (resid 11 and name HG2# )(resid 27 and name HN ) 5 3.2 1.5
assign (resid 11 and name HN )(resid 12 and name HN ) 5 3.2 0.0


assign (resid 12 and name HA )(resid 12 and name HN ) 3.5 1.7 0.0
assign (resid 12 and name HA )(resid 13 and name HN ) 3.5 1.7 0.0
assign (resid 12 and name HB# )(resid 12 and name HN ) 3.5 1.7 0.6
assign (resid 12 and name HB# )(resid 13 and name HN ) 2.9 1.1 1.0
assign (resid 12 and name HE# )(resid 12 and name HN ) 5 3.2 1.0
assign (resid 12 and name HE# )(resid 13 and name HN ) 5 3.2 1.0
assign (resid 12 and name HG# )(resid 12 and name HN ) 5 3.2 1.0
assign (resid 12 and name HG# )(resid 13 and name HN ) 3.5 1.7 1.0
assign (resid 12 and name HN )(resid 13 and name HN ) 2.9 1.1 0.0


assign (resid 13 and name HA )(resid 13 and name HN ) 2.9 1.1 0.0
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assign (resid 13 and name HB )(resid 13 and name HN ) 2.9 1.1 0.0
assign (resid 13 and name HB )(resid 14 and name HN ) 3.5 1.7 0.0
assign (resid 13 and name HB )(resid 26 and name HN ) 3.5 1.7 0.0
assign (resid 13 and name HB )(resid 27 and name HN ) 5 3.2 0.0
assign (resid 13 and name HG# )(resid 13 and name HN ) 2.9 1.1 1.7
assign (resid 13 and name HG# )(resid 14 and name HN ) 2.9 1.1 2.4
assign (resid 13 and name HG# )(resid 26 and name HN ) 3.5 1.7 2.4
assign (resid 13 and name HG# )(resid 27 and name HN ) 5 3.2 2.4
assign (resid 13 and name HG# )(resid 52 and name HE21 ) 3.5 1.7 2.4
assign (resid 13 and name HG# )(resid 52 and name HE22 ) 3.5 1.7 2.4
assign (resid 13 and name HG# )(resid 53 and name HN ) 3.5 1.7 2.4
assign (resid 63 and name HG2# )(resid 86 and name HN ) 5 3.2 1.5
assign (resid 13 and name HN )(resid 14 and name HA ) 5 3.2 0.0
assign (resid 13 and name HN )(resid 14 and name HD# ) 5 3.2 2.0
assign (resid 13 and name HN )(resid 14 and name HN ) 5 3.2 0.0
assign (resid 13 and name HN )(resid 25 and name HA ) 5 3.2 0.0
assign (resid 13 and name HN )(resid 25 and name HB# ) 5 3.2 1.0
assign (resid 13 and name HN )(resid 26 and name HB# ) 5 3.2 1.0
assign (resid 13 and name HN )(resid 26 and name HN ) 5 3.2 0.0


assign (resid 14 and name HA )(resid 14 and name HN ) 3.5 1.7 0.0
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assign (resid 14 and name HA )(resid 24 and name HN ) 5 3.2 0.0
assign (resid 14 and name HA )(resid 26 and name HN ) 5 3.2 0.0
assign (resid 14 and name HB# )(resid 14 and name HN ) 2.9 1.1 0.6
assign (resid 14 and name HB# )(resid 15 and name HN ) 2.9 1.1 1.0
assign (resid 14 and name HB# )(resid 24 and name HN ) 5 3.2 1.0
assign (resid 14 and name HB# )(resid 53 and name HN ) 3.5 1.7 1.0
assign (resid 14 and name HD# )(resid 14 and name HN ) 2.9 1.1 2.0
assign (resid 14 and name HD# )(resid 15 and name HN ) 3.5 1.7 2.0
assign (resid 14 and name HD# )(resid 24 and name HN ) 3.5 1.7 2.0
assign (resid 14 and name HD# )(resid 53 and name HN ) 5 3.2 2.0
assign (resid 14 and name HD# )(resid 55 and name HN ) 5 3.2 2.0
assign (resid 14 and name HE# )(resid 14 and name HN ) 3.5 1.7 2.0
assign (resid 14 and name HE# )(resid 55 and name HN ) 3.5 1.7 2.0
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assign (resid 14 and name HE# )(resid 58 and name HN ) 5 3.2 2.0
assign (resid 14 and name HN )(resid 15 and name HN ) 5 3.2 0.0
assign (resid 14 and name HN )(resid 26 and name HN ) 5.0 3.2 0.0
assign (resid 14 and name HN )(resid 52 and name HA ) 5 3.2 0.0
assign (resid 14 and name HN )(resid 53 and name HA ) 5 3.2 0.0
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assign (resid 14 and name HN )(resid 53 and name HB# ) 3.5 1.7 1.0
assign (resid 14 and name HN )(resid 53 and name HN ) 3.5 1.7 0.0
assign (resid 14 and name HN )(resid 54 and name HG2# ) 5 3.2 1.5
assign (resid 14 and name HN )(resid 58 and name HD# ) 5 3.2 2.4


assign (resid 15 and name HA# )(resid 15 and name HN ) 2.9 1.1 0.6
assign (resid 15 and name HA# )(resid 16 and name HN ) 2.9 1.1 1.0
assign (resid 15 and name HA# )(resid 24 and name HN ) 5 3.2 1.0
assign (resid 15 and name HA# )(resid 26 and name HN ) 5 3.2 1.0
assign (resid 15 and name HA# )(resid 51 and name HN ) 5 3.2 1.0
assign (resid 15 and name HA# )(resid 53 and name HN ) 5 3.2 1.0
assign (resid 15 and name HN )(resid 16 and name HN ) 5.0 3.2 0.0
assign (resid 15 and name HN )(resid 23 and name HA ) 5 3.2 0.0
assign (resid 15 and name HN )(resid 23 and name HB ) 5.0 3.2 0.0
assign (resid 15 and name HN )(resid 23 and name HG# ) 3.5 1.7 2.4
assign (resid 15 and name HN )(resid 24 and name HA ) 5 3.2 0.0
assign (resid 15 and name HN )(resid 24 and name HN ) 3.5 1.7 0.0
assign (resid 15 and name HN )(resid 24 and name HB# ) 5.0 3.2 1.0
assign (resid 15 and name HN )(resid 25 and name HA ) 3.5 1.7 0.0
assign (resid 15 and name HN )(resid 26 and name HA ) 5.0 3.2 0.0
assign (resid 15 and name HN )(resid 26 and name HB# ) 3.5 1.7 1.0
assign (resid 15 and name HN )(resid 26 and name HD# ) 3.5 1.7 2.0
assign (resid 15 and name HN )(resid 26 and name HN ) 3.5 1.7 0.0
assign (resid 15 and name HN )(resid 29 and name HB# ) 3.5 1.7 1.5



assign (resid 16 and name HA )(resid 16 and name HE ) 5 3.2 0.0
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assign (resid 16 and name HA )(resid 16 and name HN ) 3.5 1.7 0.0
assign (resid 16 and name HA )(resid 17 and name HN ) 2.9 1.1 0.0
assign (resid 16 and name HA )(resid 51 and name HN ) 5.0 3.2 0.0
assign (resid 16 and name HB# )(resid 16 and name HN ) 2.9 1.1 0.6
assign (resid 16 and name HD# )(resid 16 and name HN ) 5 3.2 1.0
assign (resid 16 and name HE )(resid 23 and name HG# ) 5 3.2 2.4
assign (resid 16 and name HE )(resid 58 and name HD# ) 5 3.2 2.4
assign (resid 16 and name HE )(resid 70 and name HB ) 5 3.2 0.0
assign (resid 16 and name HE )(resid 71 and name HA ) 5 3.2 0.0
assign (resid 16 and name HE )(resid 72 and name HD# ) 5 3.2 2.4
assign (resid 16 and name HG# )(resid 16 and name HN ) 3.5 1.7 1.0
assign (resid 16 and name HG# )(resid 17 and name HN ) 2.9 1.1 1.0
assign (resid 16 and name HG# )(resid 21 and name HN ) 5 3.2 1.0
assign (resid 16 and name HG# )(resid 22 and name HN ) 5 3.2 1.0
assign (resid 16 and name HG# )(resid 51 and name HN ) 3.5 1.7 1.0
assign (resid 16 and name HN )(resid 17 and name HN ) 5.0 3.2 0.0
assign (resid 16 and name HN )(resid 23 and name HA ) 5 3.2 0.0
assign (resid 16 and name HN )(resid 23 and name HG# ) 5 3.2 2.4
assign (resid 16 and name HN )(resid 26 and name HD# ) 3.5 1.7 2.0
assign (resid 16 and name HN )(resid 26 and name HE# ) 5 3.2 2.0
assign (resid 16 and name HN )(resid 29 and name HB# ) 5 3.2 1.5
assign (resid 16 and name HN )(resid 50 and name HG2# ) 2.9 1.1 1.5
assign (resid 16 and name HN )(resid 51 and name HA ) 5 3.2 0.0
assign (resid 16 and name HN )(resid 51 and name HG# ) 5 3.2 1.0
assign (resid 16 and name HN )(resid 51 and name HN ) 3.5 1.7 0.0
assign (resid 16 and name HN )(resid 23 and name HA ) 5.0 3.2 0.0
assign (resid 16 and name HN )(resid 52 and name HA ) 3.5 1.7 0.0
assign (resid 16 and name HN )(resid 52 and name HN ) 5 3.2 0.0
assign (resid 16 and name HN )(resid 53 and name HN ) 5 3.2 0.0


assign (resid 17 and name HA )(resid 17 and name HN ) 2.9 1.1 0.0
assign (resid 17 and name HA )(resid 18 and name HN ) 2.9 1.1 0.0
assign (resid 17 and name HA )(resid 51 and name HN ) 3.5 1.7 0.0
assign (resid 17 and name HB# )(resid 17 and name HN ) 2.9 1.1 0.6
assign (resid 17 and name HB# )(resid 18 and name HN ) 2.9 1.1 1.0
assign (resid 17 and name HB# )(resid 21 and name HN ) 3.5 1.7 1.0
assign (resid 17 and name HB# )(resid 22 and name HN ) 3.5 1.7 1.0
assign (resid 17 and name HE# )(resid 29 and name HN ) 5 3.2 1.5
assign (resid 17 and name HE# )(resid 51 and name HN ) 5.0 3.2 1.5
assign (resid 17 and name HE# )(resid 42 and name HN ) 5.0 3.2 1.5

assign (resid 17 and name HN )(resid 18 and name HN ) 5 3.2 0.0
assign (resid 17 and name HN )(resid 21 and name HA ) 5.0 3.2 0.0
assign (resid 17 and name HN )(resid 21 and name HG# ) 5 3.2 1.0
assign (resid 17 and name HN )(resid 21 and name HN ) 5 3.2 0.0
assign (resid 17 and name HN )(resid 22 and name HB# ) 3.5 1.7 1.0
assign (resid 17 and name HN )(resid 22 and name HN ) 3.5 1.7 0.0
assign (resid 17 and name HN )(resid 23 and name HA ) 3.5 1.7 0.0
assign (resid 17 and name HN )(resid 23 and name HG# ) 2.9 1.1 2.4
assign (resid 17 and name HN )(resid 24 and name HD# ) 5 3.2 2.0
assign (resid 17 and name HN )(resid 24 and name HE# ) 5 3.2 2.0

assign (resid 18 and name HA )(resid 48 and name HN ) 5 3.2 0.0
assign (resid 18 and name HA )(resid 49 and name HN ) 5.0 3.2 0.0

assign (resid 18 and name HA )(resid 18 and name HN ) 2.9 1.1 0.0
assign (resid 18 and name HA )(resid 20 and name HN ) 5.0 3.2 0.0
assign (resid 18 and name HA )(resid 21 and name HN ) 3.5 1.7 0.0
assign (resid 18 and name HB )(resid 18 and name HN ) 5.0 3.2 0.0
assign (resid 18 and name HB )(resid 49 and name HN ) 3.5 1.7 0.0
assign (resid 18 and name HD# )(resid 18 and name HN ) 3.5 1.7 1.5
assign (resid 18 and name HD# )(resid 49 and name HN ) 5 3.2 1.5
assign (resid 18 and name HD# )(resid 51 and name HN ) 5 3.2 1.5
assign (resid 18 and name HG11 )(resid 18 and name HN ) 2.9 1.1 0.0
assign (resid 18 and name HG11 )(resid 49 and name HN ) 3.5 1.7 0.0
assign (resid 18 and name HG12 )(resid 18 and name HN ) 2.9 1.1 0.0
assign (resid 18 and name HG12 )(resid 49 and name HN ) 3.5 1.7 0.0
assign (resid 18 and name HG2# )(resid 18 and name HN ) 3.5 1.7 1.5
assign (resid 18 and name HG2# )(resid 21 and name HN ) 3.5 1.7 1.5
assign (resid 18 and name HG2# )(resid 49 and name HN ) 5.0 3.2 1.5
assign (resid 18 and name HN )(resid 20 and name HN ) 5 3.2 0.0
assign (resid 18 and name HN )(resid 21 and name HN ) 5 3.2 0.0
assign (resid 18 and name HN )(resid 47 and name HA ) 5 3.2 0.0
assign (resid 18 and name HN )(resid 47 and name HG# ) 2.9 1.1 2.4
assign (resid 18 and name HN )(resid 48 and name HN ) 5 3.2 0.0
assign (resid 18 and name HN )(resid 48 and name HB# ) 5 3.2 1.0
assign (resid 18 and name HN )(resid 49 and name HB# ) 5 3.2 1.0
assign (resid 18 and name HN )(resid 49 and name HG# ) 5 3.2 1.0
assign (resid 18 and name HN )(resid 49 and name HN ) 2.9 1.1 0.0
assign (resid 18 and name HN )(resid 50 and name HA ) 3.5 1.7 0.0
assign (resid 18 and name HN )(resid 50 and name HG2# ) 5.0 3.2 1.5
assign (resid 18 and name HN )(resid 51 and name HN ) 5 3.2 0.0


assign (resid 19 and name HA )(resid 20 and name HN ) 3.5 1.7 0.0
assign (resid 19 and name HB# )(resid 20 and name HN ) 5 3.2 1.0
assign (resid 19 and name HD# )(resid 20 and name HN ) 3.5 1.7 1.0
assign (resid 19 and name HD# )(resid 48 and name HE22 ) 5 3.2 1.0
assign (resid 19 and name HD# )(resid 48 and name HN ) 2.9 1.1 1.0
assign (resid 19 and name HD# )(resid 49 and name HN ) 5.0 3.2 1.0
assign (resid 19 and name HG# )(resid 20 and name HN ) 3.5 1.7 1.0


assign (resid 20 and name HA )(resid 20 and name HN ) 2.9 1.1 0.0
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assign (resid 20 and name HB# )(resid 20 and name HN ) 2.9 1.1 0.6
assign (resid 20 and name HB# )(resid 21 and name HN ) 5 3.2 1.0
assign (resid 20 and name HB# )(resid 22 and name HN ) 5 3.2 1.0
assign (resid 20 and name HN )(resid 21 and name HA ) 5 3.2 0.0
assign (resid 20 and name HN )(resid 21 and name HN ) 2.9 1.1 0.0
assign (resid 20 and name HN )(resid 47 and name HG# ) 5 3.2 2.4


assign (resid 21 and name HA )(resid 21 and name HN ) 2.9 1.1 0.0
assign (resid 21 and name HA )(resid 22 and name HN ) 3.5 1.7 0.0
assign (resid 21 and name HB# )(resid 21 and name HN ) 3.5 1.7 0.6
assign (resid 21 and name HB# )(resid 22 and name HN ) 5 3.2 1.0
assign (resid 21 and name HD# )(resid 21 and name HN ) 5 3.2 1.0
assign (resid 21 and name HN )(resid 22 and name HA ) 5 3.2 0.0
assign (resid 21 and name HN )(resid 22 and name HN ) 2.9 1.1 0.0


assign (resid 22 and name HA )(resid 22 and name HN ) 3.5 1.7 0.0
assign (resid 22 and name HA )(resid 23 and name HN ) 3.5 1.7 0.0
assign (resid 22 and name HB# )(resid 22 and name HN ) 2.9 1.1 0.6
assign (resid 22 and name HB# )(resid 23 and name HN ) 5 3.2 1.0
assign (resid 22 and name HD2 )(resid 22 and name HN ) 5 3.2 0.0
assign (resid 22 and name HN )(resid 23 and name HG# ) 5 3.2 2.4
assign (resid 22 and name HN )(resid 23 and name HN ) 5 3.2 0.0


assign (resid 23 and name HA )(resid 23 and name HN ) 5 3.2 0.0
assign (resid 23 and name HA )(resid 24 and name HN ) 2.9 1.1 0.0
assign (resid 23 and name HB )(resid 24 and name HN ) 2.9 1.1 0.0
assign (resid 23 and name HG# )(resid 23 and name HN ) 3.5 1.7 1.7
assign (resid 23 and name HG# )(resid 24 and name HN ) 2.9 1.1 2.4
assign (resid 23 and name HN )(resid 24 and name HN ) 5 3.2 0.0


assign (resid 24 and name HA )(resid 24 and name HN ) 2.9 1.1 0.0
assign (resid 24 and name HA )(resid 25 and name HN ) 2.9 1.1 0.0
assign (resid 24 and name HB# )(resid 24 and name HN ) 3.5 1.7 0.6
assign (resid 24 and name HB# )(resid 25 and name HN ) 2.9 1.1 1.0
assign (resid 24 and name HB# )(resid 28 and name HN ) 5.0 3.2 1.0
assign (resid 24 and name HB# )(resid 29 and name HN ) 3.5 1.7 1.0
assign (resid 24 and name HD# )(resid 24 and name HN ) 3.5 1.7 2.0
assign (resid 24 and name HD# )(resid 25 and name HN ) 3.5 1.7 2.0
assign (resid 24 and name HD# )(resid 29 and name HN ) 5 3.2 2.0
assign (resid 24 and name HE# )(resid 24 and name HN ) 5 3.2 2.0
assign (resid 24 and name HE# )(resid 42 and name HN ) 3.5 1.7 2.0
assign (resid 24 and name HE# )(resid 43 and name HN ) 5 3.2 2.0
assign (resid 24 and name HN )(resid 25 and name HN ) 5 3.2 0.0
assign (resid 24 and name HN )(resid 29 and name HB# ) 3.5 1.7 1.5
assign (resid 24 and name HN )(resid 25 and name HA ) 5 3.2 0.0
assign (resid 24 and name HZ )(resid 42 and name HN ) 2.9 1.1 0.0
assign (resid 24 and name HZ )(resid 43 and name HN ) 3.5 1.7 0.0


assign (resid 25 and name HA )(resid 25 and name HN ) 3.5 1.7 0.0
assign (resid 25 and name HA )(resid 26 and name HN ) 2.9 1.1 0.0
assign (resid 25 and name HA )(resid 27 and name HN ) 5.0 3.2 0.0
assign (resid 25 and name HB# )(resid 25 and name HN ) 3.5 1.7 0.6
assign (resid 25 and name HB# )(resid 26 and name HN ) 2.9 1.1 1.0
assign (resid 25 and name HB# )(resid 27 and name HN ) 3.5 1.7 1.0
assign (resid 25 and name HN )(resid 26 and name HN ) 5 3.2 0.0
assign (resid 25 and name HN )(resid 28 and name HN ) 5 3.2 0.0
assign (resid 25 and name HN )(resid 29 and name HB# ) 5 3.2 1.5
assign (resid 25 and name HN )(resid 29 and name HN ) 5 3.2 0.0


assign (resid 26 and name HA )(resid 26 and name HN ) 2.9 1.1 0.0
assign (resid 26 and name HA )(resid 27 and name HN ) 3.5 1.7 0.0
assign (resid 26 and name HB# )(resid 26 and name HN ) 2.9 1.1 0.6
assign (resid 26 and name HB# )(resid 27 and name HN ) 3.5 1.7 1.0
assign (resid 26 and name HD# )(resid 26 and name HN ) 3.5 1.7 2.0
assign (resid 26 and name HD# )(resid 27 and name HN ) 3.5 1.7 2.0
assign (resid 26 and name HD# )(resid 52 and name HN ) 5 3.2 2.0
assign (resid 26 and name HD# )(resid 53 and name HN ) 5 3.2 2.0
assign (resid 26 and name HE# )(resid 27 and name HN ) 5 3.2 2.0
assign (resid 26 and name HE# )(resid 52 and name HN ) 3.5 1.7 2.0
assign (resid 26 and name HE# )(resid 53 and name HN ) 5 3.2 2.0
assign (resid 26 and name HN )(resid 27 and name HN ) 3.5 1.7 0.0
assign (resid 26 and name HN )(resid 29 and name HB# ) 5 3.2 1.5


assign (resid 27 and name HA )(resid 27 and name HN ) 2.9 1.1 0.0
assign (resid 27 and name HA )(resid 28 and name HN ) 3.5 1.7 0.0
assign (resid 27 and name HA )(resid 29 and name HN ) 5 3.2 0.0
assign (resid 27 and name HA )(resid 30 and name HN ) 3.5 1.7 0.0
assign (resid 27 and name HB# )(resid 27 and name HN ) 2.9 1.1 0.6
assign (resid 27 and name HB# )(resid 28 and name HN ) 2.9 1.1 1.0
assign (resid 27 and name HN )(resid 28 and name HB# ) 5 3.2 1.0
assign (resid 27 and name HN )(resid 28 and name HN ) 2.9 1.1 0.0
assign (resid 27 and name HN )(resid 29 and name HB# ) 5 3.2 1.5
assign (resid 27 and name HN )(resid 29 and name HN ) 3.5 1.7 0.0
assign (resid 27 and name HN )(resid 30 and name HG2# ) 5 3.2 1.5


assign (resid 28 and name HA )(resid 28 and name HN ) 2.9 1.1 0.0
assign (resid 28 and name HA )(resid 29 and name HN ) 3.5 1.7 0.0
assign (resid 28 and name HA )(resid 31 and name HN ) 2.9 1.1 0.0
assign (resid 28 and name HB# )(resid 28 and name HN ) 2.9 1.1 0.6
assign (resid 28 and name HB# )(resid 29 and name HN ) 2.9 1.1 1.0
assign (resid 28 and name HN )(resid 29 and name HA ) 5 3.2 0.0
assign (resid 28 and name HN )(resid 29 and name HB# ) 3.5 1.7 1.5
assign (resid 28 and name HN )(resid 29 and name HN ) 2.9 1.1 0.0
assign (resid 28 and name HN )(resid 30 and name HG2# ) 5 3.2 1.5
assign (resid 28 and name HN )(resid 30 and name HN ) 5 3.2 0.0
assign (resid 28 and name HN )(resid 31 and name HD# ) 5 3.2 2.4

assign (resid 29 and name HA )(resid 29 and name HN ) 2.9 1.1 0.0
assign (resid 29 and name HA )(resid 30 and name HN ) 3.5 1.7 0.0
assign (resid 29 and name HA )(resid 31 and name HN ) 5.0 1.7 0.0
assign (resid 29 and name HA )(resid 32 and name HN ) 3.5 1.7 0.0
assign (resid 29 and name HB# )(resid 29 and name HN ) 2.9 1.1 1.1
assign (resid 29 and name HB# )(resid 30 and name HN ) 2.9 1.1 1.5
assign (resid 29 and name HN )(resid 30 and name HG12 ) 5 3.2 0.0
assign (resid 29 and name HN )(resid 30 and name HG2# ) 3.5 1.7 1.5
assign (resid 29 and name HN )(resid 50 and name HG2# ) 5.0 3.2 1.5
assign (resid 29 and name HN )(resid 30 and name HN ) 2.9 1.1 0.0
assign (resid 29 and name HN )(resid 31 and name HN ) 5 3.2 0.0



assign (resid 30 and name HA )(resid 30 and name HN ) 2.9 1.1 0.0
assign (resid 30 and name HA )(resid 32 and name HN ) 5.0 3.2 0.0
assign (resid 30 and name HA )(resid 33 and name HN ) 3.5 1.7 0.0
assign (resid 30 and name HA )(resid 34 and name HN ) 5 3.2 0.0
assign (resid 30 and name HB )(resid 30 and name HN ) 3.5 1.7 0.0
assign (resid 30 and name HG11 )(resid 31 and name HN ) 3.5 1.7 0.0
assign (resid 30 and name HG12 )(resid 31 and name HN ) 3.5 1.7 0.0
assign (resid 30 and name HG2# )(resid 30 and name HN ) 2.9 1.1 1.5
assign (resid 30 and name HG2# )(resid 31 and name HN ) 2.9 1.1 1.5
assign (resid 30 and name HG2# )(resid 32 and name HN ) 5 3.2 1.5
assign (resid 30 and name HG2# )(resid 34 and name HN ) 5 3.2 1.5
assign (resid 30 and name HN )(resid 31 and name HN ) 2.9 1.1 0.0
assign (resid 30 and name HN )(resid 50 and name HD# ) 3.5 1.7 1.5


assign (resid 31 and name HA )(resid 31 and name HN ) 2.9 1.1 0.0
assign (resid 31 and name HA )(resid 32 and name HN ) 3.5 1.7 0.0
assign (resid 31 and name HA )(resid 34 and name HN ) 3.5 1.7 0.0
assign (resid 31 and name HB# )(resid 31 and name HN ) 2.9 1.1 0.6
assign (resid 31 and name HB# )(resid 32 and name HN ) 2.9 1.1 1.0
assign (resid 31 and name HD# )(resid 31 and name HN ) 3.5 1.7 1.7
assign (resid 31 and name HD# )(resid 32 and name HN ) 5 3.2 2.4
assign (resid 31 and name HG )(resid 31 and name HN ) 2.9 1.1 0.0
assign (resid 31 and name HG )(resid 32 and name HN ) 5.0 3.2 0.0
assign (resid 31 and name HN )(resid 32 and name HB# ) 5 3.2 1.0
assign (resid 31 and name HN )(resid 32 and name HD2 ) 5 3.2 0.0
assign (resid 31 and name HN )(resid 32 and name HN ) 2.9 1.1 0.0


assign (resid 32 and name HA )(resid 32 and name HN ) 2.9 1.1 0.0
assign (resid 32 and name HA )(resid 33 and name HN ) 3.5 1.7 0.0
assign (resid 32 and name HA )(resid 34 and name HN ) 5.0 3.2 0.0
assign (resid 32 and name HA )(resid 35 and name HN ) 3.5 1.7 0.0
assign (resid 32 and name HA )(resid 37 and name HN ) 5 3.2 0.0
assign (resid 32 and name HB# )(resid 32 and name HN ) 2.9 1.1 0.6
assign (resid 32 and name HB# )(resid 33 and name HN ) 3.5 1.7 1.0
assign (resid 32 and name HD2 )(resid 32 and name HN ) 3.5 1.7 0.0
assign (resid 32 and name HN )(resid 33 and name HB# ) 5 3.2 1.0
assign (resid 32 and name HN )(resid 33 and name HG# ) 5 3.2 1.0

assign (resid 32 and name HN )(resid 34 and name HN ) 5.0 3.2 0.0
assign (resid 32 and name HN )(resid 35 and name HN ) 5.0 3.2 0.0
assign (resid 33 and name HN )(resid 35 and name HN ) 5.0 3.2 0.0
assign (resid 31 and name HN )(resid 33 and name HN ) 5.0 3.2 0.0


assign (resid 33 and name HA )(resid 33 and name HN ) 2.9 1.1 0.0
assign (resid 33 and name HB# )(resid 33 and name HN ) 2.9 1.1 0.6
assign (resid 33 and name HB# )(resid 34 and name HN ) 2.9 1.1 1.0
assign (resid 33 and name HG# )(resid 33 and name HN ) 2.9 1.1 1.0
assign (resid 33 and name HN )(resid 34 and name HD# ) 5 3.2 1.0
assign (resid 33 and name HN )(resid 34 and name HG# ) 5 3.2 1.0
assign (resid 33 and name HN )(resid 34 and name HN ) 2.9 1.1 0.0
assign (resid 33 and name HN )(resid 50 and name HD# ) 3.5 1.7 1.5


assign (resid 34 and name HA )(resid 34 and name HN ) 2.9 1.1 0.0
assign (resid 34 and name HA )(resid 35 and name HN ) 3.5 1.7 0.0
assign (resid 33 and name HA )(resid 38 and name HN ) 5 3.2 0.0
assign (resid 34 and name HB# )(resid 34 and name HN ) 2.9 1.1 0.6
assign (resid 34 and name HD# )(resid 34 and name HN ) 3.5 1.7 1.0
assign (resid 34 and name HE# )(resid 34 and name HN ) 5 3.2 1.0
assign (resid 34 and name HG# )(resid 34 and name HN ) 2.9 1.1 1.0
assign (resid 34 and name HN )(resid 35 and name HA ) 5 3.2 0.0
assign (resid 34 and name HN )(resid 35 and name HN ) 2.9 1.1 0.0
assign (resid 34 and name HN )(resid 36 and name HN ) 5.0 3.2 0.0
assign (resid 34 and name HN )(resid 50 and name HD# ) 5 3.2 1.5


assign (resid 35 and name HA )(resid 35 and name HN ) 2.9 1.1 0.0
assign (resid 35 and name HA )(resid 36 and name HN ) 3.5 1.7 0.0
assign (resid 35 and name HA )(resid 37 and name HN ) 5.0 3.2 0.0
assign (resid 35 and name HB# )(resid 35 and name HN ) 2.9 1.1 0.6
assign (resid 35 and name HB# )(resid 36 and name HN ) 3.5 1.7 1.0
assign (resid 35 and name HD# )(resid 35 and name HN ) 3.5 1.7 1.0
assign (resid 35 and name HG# )(resid 35 and name HN ) 3.5 1.7 1.0
assign (resid 35 and name HG# )(resid 36 and name HN ) 5 3.2 1.0
assign (resid 35 and name HN )(resid 36 and name HN ) 2.9 1.1 0.0


assign (resid 36 and name HA# )(resid 36 and name HN ) 2.9 1.1 0.6
assign (resid 36 and name HA# )(resid 37 and name HN ) 2.9 1.1 1.0
assign (resid 36 and name HA# )(resid 38 and name HN ) 3.5 1.7 1.0
assign (resid 36 and name HN )(resid 37 and name HN ) 2.9 1.1 0.0
assign (resid 36 and name HN )(resid 38 and name HN ) 5 3.2 0.0


assign (resid 37 and name HA )(resid 37 and name HN ) 2.9 1.1 0.0
assign (resid 37 and name HA )(resid 38 and name HN ) 3.5 1.7 0.0
assign (resid 37 and name HA )(resid 39 and name HN ) 5.0 3.2 0.0
assign (resid 37 and name HB# )(resid 37 and name HN ) 2.9 1.1 0.6
assign (resid 37 and name HB# )(resid 38 and name HN ) 5.0 3.2 1.0
assign (resid 37 and name HB# )(resid 39 and name HN ) 5 3.2 1.0
assign (resid 37 and name HN )(resid 38 and name HB# ) 5.0 3.2 1.0
assign (resid 37 and name HN )(resid 38 and name HG# ) 3.5 1.7 1.0
assign (resid 37 and name HN )(resid 38 and name HN ) 2.9 1.1 0.0


assign (resid 38 and name HA )(resid 38 and name HN ) 2.9 1.1 0.0
assign (resid 38 and name HA )(resid 39 and name HN ) 3.5 1.7 0.0
assign (resid 38 and name HA )(resid 47 and name HN ) 5 3.2 0.0
assign (resid 38 and name HB# )(resid 47 and name HN ) 5 3.2 0.0
assign (resid 38 and name HB# )(resid 38 and name HN ) 2.9 1.1 0.6
assign (resid 38 and name HB# )(resid 39 and name HN ) 3.5 1.7 1.0
assign (resid 38 and name HE# )(resid 38 and name HN ) 5 3.2 1.0
assign (resid 38 and name HE# )(resid 39 and name HN ) 5 3.2 1.0
assign (resid 38 and name HG# )(resid 39 and name HN ) 3.5 1.7 1.0
assign (resid 38 and name HG# )(resid 47 and name HN ) 5 3.2 1.0
assign (resid 38 and name HN )(resid 39 and name HG# ) 5 3.2 1.0
assign (resid 38 and name HN )(resid 39 and name HN ) 2.9 1.1 0.0


assign (resid 39 and name HA )(resid 39 and name HN ) 2.9 1.1 0.0
assign (resid 39 and name HA )(resid 40 and name HN ) 2.9 1.1 0.0
assign (resid 39 and name HA )(resid 45 and name HN ) 5 3.2 0.0
assign (resid 39 and name HA )(resid 47 and name HN ) 2.9 1.1 0.0
assign (resid 39 and name HB# )(resid 39 and name HN ) 2.9 1.1 0.6
assign (resid 39 and name HB# )(resid 40 and name HN ) 2.9 1.1 1.0
assign (resid 39 and name HB# )(resid 44 and name HN ) 5.0 3.2 1.0
assign (resid 39 and name HB# )(resid 45 and name HN ) 5 3.2 1.0
assign (resid 39 and name HE# )(resid 40 and name HN ) 5 3.2 1.5
assign (resid 39 and name HG# )(resid 39 and name HN ) 3.5 1.7 1.0
assign (resid 39 and name HG# )(resid 40 and name HN ) 3.5 1.7 1.0
assign (resid 39 and name HN )(resid 40 and name HN ) 5 3.2 0.0
assign (resid 39 and name HN )(resid 47 and name HG# ) 3.5 1.7 2.4
assign (resid 39 and name HN )(resid 47 and name HN ) 5 3.2 0.0


assign (resid 40 and name HA )(resid 40 and name HN ) 2.9 1.1 0.0
assign (resid 40 and name HA )(resid 42 and name HN ) 5.0 3.2 0.0
assign (resid 40 and name HA )(resid 43 and name HN ) 5.0 3.2 0.0
assign (resid 40 and name HA )(resid 44 and name HN ) 5.0 3.2 0.0
assign (resid 40 and name HB# )(resid 40 and name HN ) 2.9 1.1 0.6
assign (resid 40 and name HB# )(resid 42 and name HN ) 3.5 1.7 1.0
assign (resid 40 and name HB# )(resid 43 and name HN ) 2.9 1.1 1.0
assign (resid 40 and name HB# )(resid 44 and name HN ) 2.9 1.1 1.0
assign (resid 40 and name HB# )(resid 45 and name HN ) 2.9 1.1 1.0
assign (resid 40 and name HN )(resid 43 and name HN ) 5 3.2 0.0
assign (resid 40 and name HN )(resid 46 and name HA ) 5.0 3.2 0.0
assign (resid 40 and name HN )(resid 44 and name HN ) 5.0 3.2 0.0
assign (resid 40 and name HN )(resid 45 and name HN ) 2.9 1.1 0.0
assign (resid 40 and name HN )(resid 47 and name HG# ) 2.9 1.1 2.4
assign (resid 40 and name HN )(resid 47 and name HN ) 3.5 1.7 0.0


assign (resid 41 and name HA )(resid 42 and name HN ) 3.5 1.7 0.0
assign (resid 41 and name HB# )(resid 42 and name HN ) 3.5 1.7 1.0
assign (resid 41 and name HD# )(resid 42 and name HN ) 3.5 1.7 1.0
assign (resid 41 and name HD# )(resid 43 and name HN ) 5.0 3.2 1.0
assign (resid 41 and name HG# )(resid 42 and name HN ) 3.5 1.7 1.0


assign (resid 42 and name HA# )(resid 42 and name HN ) 2.9 1.1 0.6
assign (resid 42 and name HA# )(resid 43 and name HN ) 2.9 1.1 1.0
assign (resid 42 and name HA# )(resid 44 and name HN ) 5 3.2 1.0
assign (resid 42 and name HN )(resid 43 and name HA ) 5 3.2 0.0
assign (resid 42 and name HN )(resid 43 and name HB# ) 5 3.2 1.0
assign (resid 42 and name HN )(resid 43 and name HN ) 2.9 1.1 0.0
assign (resid 42 and name HN )(resid 44 and name HN ) 3.5 1.7 0.0


assign (resid 43 and name HN )(resid 44 and name HA ) 5.0 3.2 0.0


assign (resid 43 and name HA )(resid 43 and name HN ) 2.9 1.1 0.0
assign (resid 43 and name HA )(resid 44 and name HN ) 3.5 1.7 0.0
assign (resid 43 and name HB# )(resid 43 and name HN ) 2.9 1.1 0.6
assign (resid 43 and name HB# )(resid 44 and name HN ) 3.5 1.7 1.0
assign (resid 43 and name HB# )(resid 45 and name HN ) 5.0 3.2 1.0
assign (resid 43 and name HN )(resid 44 and name HN ) 2.9 1.1 0.0
assign (resid 43 and name HN )(resid 45 and name HN ) 5.0 3.2 0.0


assign (resid 44 and name HA )(resid 44 and name HN ) 2.9 1.1 0.0
assign (resid 44 and name HA )(resid 45 and name HN ) 3.5 1.7 0.0
assign (resid 44 and name HB# )(resid 44 and name HN ) 2.9 1.1 0.6
assign (resid 44 and name HB# )(resid 45 and name HN ) 3.5 1.7 1.0
assign (resid 44 and name HN )(resid 45 and name HN ) 3.5 1.7 0.0
assign (resid 44 and name HN )(resid 47 and name HG# ) 5 3.2 2.4


assign (resid 45 and name HA )(resid 45 and name HN ) 2.9 1.1 0.0
assign (resid 45 and name HB# )(resid 45 and name HN ) 2.9 1.1 0.6
assign (resid 45 and name HB# )(resid 47 and name HN ) 5 3.2 1.0
assign (resid 45 and name HN )(resid 46 and name HD# ) 5.0 3.2 1.0
assign (resid 45 and name HN )(resid 47 and name HG# ) 3.5 1.7 2.4


assign (resid 46 and name HA )(resid 47 and name HN ) 2.9 1.1 0.0
assign (resid 46 and name HB# )(resid 47 and name HN ) 3.5 1.7 1.0


assign (resid 47 and name HA )(resid 47 and name HN ) 2.9 1.1 0.0
assign (resid 47 and name HB )(resid 48 and name HN ) 5.0 3.2 0.0
assign (resid 47 and name HG# )(resid 47 and name HN ) 2.9 1.1 1.7
assign (resid 47 and name HG# )(resid 48 and name HN ) 2.9 1.1 2.4
assign (resid 47 and name HG# )(resid 49 and name HN ) 2.9 1.1 2.4
assign (resid 47 and name HG# )(resid 50 and name HN ) 3.5 1.7 2.4
assign (resid 47 and name HN )(resid 48 and name HN ) 5.0 3.2 0.0


assign (resid 48 and name HA )(resid 48 and name HN ) 2.9 1.1 0.0
assign (resid 48 and name HA )(resid 49 and name HN ) 3.5 1.7 0.0
assign (resid 47 and name HA )(resid 49 and name HN ) 5.0 3.2 0.0
assign (resid 48 and name HB# )(resid 49 and name HN ) 2.9 1.1 1.0
assign (resid 48 and name HG# )(resid 49 and name HN ) 3.5 1.7 1.0
assign (resid 48 and name HN )(resid 49 and name HA ) 5 3.2 0.0
assign (resid 48 and name HN )(resid 49 and name HN ) 3.5 1.7 0.0


assign (resid 49 and name HA )(resid 49 and name HN ) 2.9 1.1 0.0
assign (resid 49 and name HA )(resid 50 and name HN ) 2.9 1.1 0.0
assign (resid 49 and name HB# )(resid 49 and name HN ) 3.5 1.7 0.6
assign (resid 49 and name HB# )(resid 50 and name HN ) 2.9 1.1 1.0
assign (resid 49 and name HD# )(resid 50 and name HN ) 5 3.2 1.0
assign (resid 49 and name HG# )(resid 49 and name HN ) 2.9 1.1 1.0
assign (resid 49 and name HG# )(resid 50 and name HN ) 5.0 3.2 1.0
assign (resid 49 and name HN )(resid 50 and name HA ) 5 3.2 0.0
assign (resid 49 and name HN )(resid 50 and name HN ) 5.0 3.2 0.0


assign (resid 50 and name HA )(resid 50 and name HN ) 2.9 1.1 0.0
assign (resid 50 and name HA )(resid 51 and name HN ) 2.9 1.1 0.0
assign (resid 50 and name HB )(resid 50 and name HN ) 3.5 1.7 0.0
assign (resid 50 and name HB )(resid 51 and name HN ) 3.5 1.7 0.0
assign (resid 50 and name HD# )(resid 50 and name HN ) 2.9 1.1 1.5
assign (resid 50 and name HD# )(resid 51 and name HN ) 5.0 3.2 1.5
assign (resid 50 and name HG11 )(resid 50 and name HN ) 3.5 1.7 0.0
assign (resid 50 and name HG11 )(resid 51 and name HN ) 5.0 3.2 0.0
assign (resid 50 and name HG12 )(resid 50 and name HN ) 2.9 1.1 0.0
assign (resid 50 and name HG2# )(resid 51 and name HN ) 5 3.2 1.5
assign (resid 50 and name HG12 )(resid 51 and name HN ) 5 3.2 0.0
assign (resid 50 and name HG2# )(resid 52 and name HN ) 5 3.2 1.5
assign (resid 50 and name HN )(resid 51 and name HG# ) 3.5 1.7 1.0
assign (resid 50 and name HN )(resid 51 and name HN ) 5.0 3.2 0.0


assign (resid 51 and name HA )(resid 51 and name HN ) 2.9 1.1 0.0
assign (resid 51 and name HA )(resid 52 and name HN ) 2.9 1.1 0.0
assign (resid 51 and name HB# )(resid 51 and name HN ) 2.9 1.1 0.6
assign (resid 51 and name HG# )(resid 51 and name HN ) 2.9 1.1 1.0
assign (resid 51 and name HG# )(resid 52 and name HN ) 3.5 1.7 1.0
assign (resid 51 and name HN )(resid 52 and name HN ) 5.0 3.2 0.0

assign (resid 52 and name HA )(resid 52 and name HN ) 2.9 1.1 0.0
assign (resid 52 and name HA )(resid 53 and name HN ) 2.9 1.1 0.0
assign (resid 52 and name HB# )(resid 52 and name HN ) 2.9 1.1 0.6
assign (resid 52 and name HB# )(resid 53 and name HN ) 3.5 1.7 1.0
assign (resid 52 and name HG# )(resid 52 and name HN ) 3.5 1.7 1.0
assign (resid 52 and name HG# )(resid 53 and name HN ) 3.5 1.7 1.0
assign (resid 52 and name HN )(resid 53 and name HN ) 5.0 3.2 0.0
assign (resid 53 and name HA )(resid 53 and name HN ) 2.9 1.1 0.0
assign (resid 53 and name HA )(resid 54 and name HN ) 2.9 1.1 0.0
assign (resid 53 and name HB# )(resid 53 and name HN ) 2.9 1.1 0.6
assign (resid 53 and name HB# )(resid 54 and name HN ) 3.5 1.7 1.0
assign (resid 53 and name HN )(resid 54 and name HN ) 5.0 3.2 0.0
assign (resid 53 and name HN )(resid 58 and name HD# ) 5 3.2 2.4
assign (resid 54 and name HA )(resid 54 and name HN ) 2.9 1.1 0.0
assign (resid 54 and name HA )(resid 55 and name HN ) 2.9 1.1 0.0
assign (resid 54 and name HB )(resid 54 and name HN ) 3.5 1.7 0.0
assign (resid 54 and name HB )(resid 55 and name HN ) 2.9 1.1 0.0
assign (resid 54 and name HG2# )(resid 54 and name HN ) 2.9 1.1 1.5
assign (resid 54 and name HG2# )(resid 55 and name HN ) 3.5 1.7 1.5
assign (resid 54 and name HG2# )(resid 57 and name HN ) 5 3.2 1.5
assign (resid 54 and name HN )(resid 55 and name HN ) 5.0 3.2 0.0
assign (resid 54 and name HN )(resid 57 and name HB# ) 5 3.2 1.0
assign (resid 55 and name HA )(resid 55 and name HN ) 2.9 1.1 0.0
assign (resid 55 and name HA )(resid 57 and name HN ) 3.5 1.7 0.0
assign (resid 55 and name HA )(resid 58 and name HN ) 5 3.2 0.0
assign (resid 55 and name HB# )(resid 55 and name HN ) 2.9 1.1 0.6
assign (resid 55 and name HB# )(resid 57 and name HN ) 5 3.2 1.0
assign (resid 55 and name HD# )(resid 55 and name HN ) 5 3.2 1.0
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assign (resid 56 and name HA# )(resid 57 and name HN ) 2.9 1.1 1.0
assign (resid 56 and name HA# )(resid 58 and name HN ) 5 3.2 1.0
assign (resid 56 and name HN )(resid 57 and name HN ) 3.5 1.7 0.0


assign (resid 57 and name HA )(resid 57 and name HN ) 2.9 1.1 0.0
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assign (resid 57 and name HB# )(resid 57 and name HN ) 2.9 1.1 0.6
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assign (resid 57 and name HN )(resid 58 and name HA ) 5 3.2 0.0
assign (resid 57 and name HN )(resid 58 and name HB# ) 5 3.2 1.0
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assign (resid 57 and name HN )(resid 58 and name HG ) 3.5 1.7 0.0
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assign (resid 58 and name HA )(resid 58 and name HN ) 3.5 1.7 0.0
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assign (resid 58 and name HB# )(resid 58 and name HN ) 2.9 1.1 0.6
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assign (resid 58 and name HB# )(resid 71 and name HN ) 3.5 1.7 1.0
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assign (resid 58 and name HG )(resid 58 and name HN ) 2.9 1.1 0.0
assign (resid 58 and name HG )(resid 59 and name HN ) 5.0 3.2 0.0
assign (resid 58 and name HN )(resid 59 and name HN ) 5.0 3.2 0.0


assign (resid 59 and name HA )(resid 59 and name HN ) 2.9 1.1 0.0
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assign (resid 59 and name HA )(resid 71 and name HN ) 5 3.2 0.0
assign (resid 59 and name HB# )(resid 59 and name HN ) 2.9 1.1 0.6
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assign (resid 59 and name HB# )(resid 71 and name HN ) 5 3.2 1.0
assign (resid 59 and name HD# )(resid 59 and name HN ) 2.9 1.1 2.0
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assign (resid 59 and name HD# )(resid 71 and name HN ) 3.5 1.7 2.0
assign (resid 59 and name HD# )(resid 77 and name HD# ) 3.5 1.1 3.5
assign (resid 59 and name HD# )(resid 74 and name HN ) 5 3.2 2.0
assign (resid 59 and name HN )(resid 70 and name HA ) 5 3.2 0.0
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assign (resid 59 and name HN )(resid 70 and name HG2# ) 3.5 1.7 1.5
assign (resid 59 and name HN )(resid 71 and name HA ) 5 3.2 0.0
assign (resid 59 and name HN )(resid 71 and name HB# ) 5 3.2 1.0
assign (resid 59 and name HN )(resid 71 and name HN ) 2.9 1.1 0.0
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assign (resid 59 and name HN )(resid 72 and name HD# ) 5 3.2 2.4
assign (resid 59 and name HN )(resid 72 and name HN ) 5 3.2 0.0
assign (resid 59 and name HN )(resid 77 and name HD# ) 5 3.2 3.0


assign (resid 60 and name HA )(resid 60 and name HN ) 3.5 1.7 0.0
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assign (resid 60 and name HA )(resid 70 and name HN ) 5 3.2 0.0
assign (resid 60 and name HA )(resid 71 and name HN ) 5 3.2 0.0
assign (resid 60 and name HB# )(resid 60 and name HN ) 2.9 1.1 0.6
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assign (resid 60 and name HG# )(resid 60 and name HN ) 3.5 1.7 1.0
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assign (resid 60 and name HN )(resid 70 and name HA ) 5 3.2 0.0
assign (resid 60 and name HN )(resid 70 and name HG2# ) 3.5 1.7 1.5

assign (resid 61 and name HA )(resid 61 and name HN ) 5 3.2 0.0
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assign (resid 61 and name HB# )(resid 69 and name HN ) 2.9 1.1 1.0
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assign (resid 61 and name HN )(resid 70 and name HA ) 5 3.2 0.0
assign (resid 61 and name HN )(resid 77 and name HD# ) 5 3.2 2.4


assign (resid 62 and name HA )(resid 63 and name HN ) 3.5 1.7 0.0
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assign (resid 63 and name HA )(resid 63 and name HN ) 3.5 1.7 0.0
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assign (resid 63 and name HG2# )(resid 63 and name HN ) 3.5 1.7 1.5
assign (resid 63 and name HG2# )(resid 85 and name HN ) 5 3.2 1.5
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assign (resid 64 and name HG# )(resid 67 and name HN ) 5 3.2 2.4

assign (resid 65 and name HA )(resid 66 and name HN ) 5 3.2 0.0
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assign (resid 66 and name HA# )(resid 66 and name HN ) 5 3.2 0.6
assign (resid 66 and name HA# )(resid 67 and name HN ) 5 3.2 1.0
assign (resid 66 and name HN )(resid 67 and name HN ) 5 3.2 0.0

assign (resid 67 and name HA )(resid 67 and name HN ) 3.5 1.7 0.0
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assign (resid 67 and name HN )(resid 68 and name HN ) 5 3.2 0.0

assign (resid 68 and name HN )(resid 69 and name HN ) 2.9 1.1 0.0
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assign (resid 69 and name HA )(resid 69 and name HN ) 2.9 1.1 0.0
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assign (resid 69 and name HB# )(resid 69 and name HN ) 2.9 1.1 0.6
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assign (resid 69 and name HN )(resid 70 and name HN ) 5 3.2 0.0
assign (resid 69 and name HN )(resid 80 and name HD2 ) 5.0 3.2 0.0


assign (resid 70 and name HA )(resid 70 and name HN ) 5 3.2 0.0
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assign (resid 70 and name HB )(resid 70 and name HN ) 5 3.2 0.0
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assign (resid 70 and name HG2# )(resid 70 and name HN ) 3.5 1.7 1.5
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assign (resid 77 and name HD# )(resid 74 and name HE22 ) 3.5 1.7 1.5
assign (resid 70 and name HN )(resid 71 and name HN ) 5 3.2 0.0


assign (resid 71 and name HA )(resid 71 and name HN ) 2.9 1.1 0.0
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assign (resid 71 and name HB# )(resid 71 and name HN ) 2.9 1.1 0.6
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assign (resid 71 and name HB# )(resid 77 and name HN ) 2.9 1.1 1.0
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assign (resid 71 and name HD# )(resid 71 and name HN ) 2.9 1.1 2.0
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assign (resid 71 and name HD# )(resid 73 and name HN ) 3.5 1.7 2.0
assign (resid 71 and name HD# )(resid 76 and name HN ) 5 3.2 2.0
assign (resid 71 and name HN )(resid 72 and name HN ) 5 3.2 0.0
assign (resid 71 and name HN )(resid 73 and name HN ) 5 3.2 0.0
assign (resid 71 and name HN )(resid 77 and name HB# ) 5 3.2 1.0


assign (resid 72 and name HA )(resid 72 and name HN ) 2.9 1.1 0.0
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assign (resid 72 and name HB# )(resid 72 and name HN ) 2.9 1.1 0.6
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assign (resid 72 and name HD2# )(resid 72 and name HN ) 3.5 1.7 1.5
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assign (resid 72 and name HD# )(resid 72 and name HN ) 3.5 1.7 1.7
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assign (resid 72 and name HN )(resid 76 and name HN ) 5 3.2 0.0
assign (resid 72 and name HN )(resid 77 and name HN ) 5 3.2 0.0


assign (resid 73 and name HA )(resid 74 and name HN ) 2.9 1.1 0.0
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assign (resid 73 and name HB# )(resid 73 and name HN ) 2.9 1.1 0.6
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assign (resid 73 and name HN )(resid 74 and name HN ) 5 3.2 0.0
assign (resid 73 and name HN )(resid 75 and name HB# ) 5 3.2 1.0
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assign (resid 73 and name HN )(resid 77 and name HB# ) 5 3.2 1.0
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assign (resid 74 and name HA )(resid 74 and name HN ) 3.5 1.7 0.0
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assign (resid 74 and name HA )(resid 77 and name HN ) 3.5 1.7 0.0
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assign (resid 74 and name HB# )(resid 74 and name HN ) 2.9 1.1 0.6
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assign (resid 74 and name HG# )(resid 77 and name HN ) 5.0 3.2 1.0
assign (resid 74 and name HN )(resid 75 and name HN ) 3.5 1.7 0.0


assign (resid 75 and name HA )(resid 75 and name HN ) 2.9 1.1 0.0
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assign (resid 75 and name HA )(resid 78 and name HN ) 3.5 1.7 0.0
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assign (resid 75 and name HB# )(resid 75 and name HN ) 2.9 1.1 0.6
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assign (resid 75 and name HN )(resid 76 and name HN ) 2.9 1.1 0.0
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assign (resid 76 and name HA )(resid 76 and name HN ) 2.9 1.1 0.0
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assign (resid 76 and name HB# )(resid 76 and name HN ) 2.9 1.1 0.6
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assign (resid 76 and name HN )(resid 77 and name HN ) 2.9 1.1 0.0
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assign (resid 77 and name HA )(resid 77 and name HN ) 2.9 1.1 0.0
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assign (resid 77 and name HN )(resid 78 and name HN ) 2.9 1.1 0.0
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assign (resid 78 and name HA )(resid 78 and name HN ) 2.9 1.1 0.0
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assign (resid 78 and name HG# )(resid 78 and name HN ) 3.5 1.7 1.0
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assign (resid 78 and name HN )(resid 79 and name HN ) 2.9 1.1 0.0
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assign (resid 79 and name HA )(resid 79 and name HN ) 2.9 1.1 0.0
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assign (resid 79 and name HB# )(resid 79 and name HN ) 2.9 1.1 1.1
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assign (resid 80 and name HA )(resid 80 and name HN ) 2.9 1.1 0.0
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assign (resid 80 and name HB# )(resid 80 and name HN ) 2.9 1.1 0.6
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assign (resid 80 and name HN )(resid 81 and name HN ) 2.9 1.1 0.0
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assign (resid 81 and name HA )(resid 81 and name HN ) 2.9 1.1 0.0
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assign (resid 81 and name HG2# )(resid 81 and name HN ) 2.9 1.1 1.5
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assign (resid 81 and name HG2# )(resid 85 and name HN ) 3.5 1.7 1.5
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assign (resid 81 and name HN )(resid 82 and name HB# ) 5 3.2 1.0
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assign (resid 81 and name HN )(resid 83 and name HN ) 5.0 3.2 0.0
assign (resid 81 and name HN )(resid 85 and name HD2 ) 5 3.2 0.0


assign (resid 82 and name HA )(resid 82 and name HN ) 2.9 1.1 0.0
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assign (resid 82 and name HA )(resid 85 and name HN ) 5 3.2 0.0
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assign (resid 82 and name HB# )(resid 82 and name HN ) 2.9 1.1 0.6
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assign (resid 82 and name HN )(resid 83 and name HA ) 5 3.2 0.0
assign (resid 82 and name HN )(resid 83 and name HN ) 2.9 1.1 0.0
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assign (resid 83 and name HA )(resid 83 and name HN ) 2.9 1.1 0.0
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assign (resid 84 and name HA )(resid 84 and name HN ) 2.9 1.1 0.0
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assign (resid 84 and name HN )(resid 85 and name HN ) 2.9 1.1 0.0
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assign (resid 85 and name HA )(resid 85 and name HN ) 2.9 1.1 0.0
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assign (resid 85 and name HN )(resid 86 and name HG# ) 5 3.2 1.0
assign (resid 85 and name HN )(resid 86 and name HN ) 2.9 1.1 0.0


assign (resid 86 and name HA )(resid 86 and name HN ) 2.9 1.1 0.0
assign (resid 86 and name HA )(resid 87 and name HN ) 2.9 1.1 0.0
assign (resid 86 and name HB# )(resid 86 and name HN ) 2.9 1.1 0.6
assign (resid 86 and name HB# )(resid 87 and name HN ) 3.5 1.7 1.0
assign (resid 86 and name HG# )(resid 86 and name HN ) 3.5 1.7 1.0
assign (resid 86 and name HN )(resid 87 and name HN ) 2.9 1.1 0.0


assign (resid 87 and name HA )(resid 87 and name HN ) 2.9 1.1 0.0
assign (resid 87 and name HB# )(resid 87 and name HN ) 2.9 1.1 0.6
assign (resid 87 and name HB# )(resid 88 and name HN ) 5 3.2 1.0
assign (resid 87 and name HG# )(resid 87 and name HN ) 3.5 1.7 1.0
assign (resid 87 and name HN )(resid 88 and name HN ) 5 3.2 0.0

assign (resid 88 and name HA )(resid 88 and name HN ) 2.9 1.1 0.0
assign (resid 88 and name HB# )(resid 88 and name HN ) 2.9 1.1 1.1




assign (resid 4 and name HA )(resid 11 and name HD# ) 3.5 1.7 1.5
assign (resid 4 and name HB# )(resid 11 and name HD# ) 5 3.2 2.5
assign (resid 9 and name HD# )(resid 10 and name HD# ) 5 3.2 3.4
assign (resid 11 and name HD# )(resid 14 and name HD# ) 5 3.2 3.5
assign (resid 11 and name HD# )(resid 14 and name HE# ) 5 3.2 3.5
assign (resid 11 and name HD# )(resid 23 and name HG# ) 5 3.2 3.9
assign (resid 11 and name HD# )(resid 25 and name HA ) 5 3.2 1.5
assign (resid 11 and name HD# )(resid 25 and name HB# ) 5 3.2 2.5
assign (resid 11 and name HG2# )(resid 14 and name HA ) 5 3.2 1.5
assign (resid 11 and name HG2# )(resid 14 and name HD# ) 5 3.2 3.5
assign (resid 11 and name HG2# )(resid 14 and name HE# ) 5 3.2 3.5
assign (resid 11 and name HG2# )(resid 25 and name HA ) 3.5 1.7 1.5
assign (resid 11 and name HG2# )(resid 24 and name HA ) 5 3.2 1.5
assign (resid 11 and name HG2# )(resid 25 and name HB# ) 5 3.2 2.5
assign (resid 13 and name HG# )(resid 26 and name HD# ) 5 3.2 4.4
assign (resid 13 and name HG# )(resid 54 and name HG2# ) 3.5 1.7 3.9
assign (resid 15 and name HA# )(resid 26 and name HD# ) 5 3.2 3.0
assign (resid 17 and name HE# )(resid 50 and name HD# ) 3.5 1.7 3.0
assign (resid 23 and name HG# )(resid 70 and name HG2# ) 5 3.2 3.9
assign (resid 26 and name HD# )(resid 50 and name HG2# ) 5 3.2 3.5
assign (resid 26 and name HE# )(resid 50 and name HG2# ) 5 3.2 3.5
assign (resid 29 and name HB# )(resid 50 and name HD# ) 3.5 1.7 3.0
assign (resid 33 and name HB# )(resid 50 and name HD# ) 5 3.2 2.5
assign (resid 57 and name HB# )(resid 72 and name HD# ) 5 3.2 3.4
assign (resid 58 and name HD# )(resid 70 and name HG2# ) 5 3.2 3.9
assign (resid 60 and name HA )(resid 70 and name HG2# ) 5 3.2 1.5
assign (resid 60 and name HB# )(resid 70 and name HG2# ) 5 3.2 2.5
assign (resid 60 and name HE# )(resid 70 and name HG2# ) 5 3.2 3.0
assign (resid 61 and name HA )(resid 77 and name HD# ) 5 3.2 2.4
assign (resid 61 and name HA )(resid 81 and name HD# ) 5 3.2 1.5
assign (resid 61 and name HB# )(resid 77 and name HD# ) 5 3.2 3.4
assign (resid 63 and name HD# )(resid 81 and name HD# ) 3.5 1.7 3.0
assign (resid 77 and name HD# )(resid 80 and name HD2 ) 5 3.2 2.4
assign (resid 77 and name HD# )(resid 81 and name HD# ) 3.5 1.7 3.9
assign (resid 77 and name HG )(resid 81 and name HD# ) 3.5 1.7 1.5
assign (resid 80 and name HD2 )(resid 81 and name HD# ) 5 3.2 1.5

assign (resid 18 and name HG2# )(resid 50 and name HA ) 5 3.2 1.5
assign (resid 18 and name HG2# )(resid 49 and name HG# ) 5 3.2 1.5

assign (resid 63 and name HD# )(resid 81 and name HA ) 3.5 1.7 1.5
assign (resid 63 and name HG2# )(resid 85 and name HB# ) 3.5 1.7 1.5
assign (resid 63 and name HD# )(resid 81 and name HG2# ) 3.5 1.7 1.5
assign (resid 63 and name HD# )(resid 81 and name HD# ) 3.5 1.7 1.5

assign (resid 30 and name HD# )(resid 27 and name HA ) 3.5 1.7 1.5
assign (resid 30 and name HG2# )(resid 27 and name HA ) 5 3.2 1.5

assign (resid 30 and name HD# )(resid 34 and name HD# ) 5 3.2 1.5

assign (resid 11 and name HD# )(resid 3 and name HA ) 3.5 1.7 1.5
assign (resid 11 and name HD# )(resid 24 and name HA ) 3.5 1.7 1.5
assign (resid 11 and name HD# )(resid 25 and name HA ) 3.5 1.7 1.5
assign (resid 11 and name HD# )(resid 4 and name HA ) 2.9 1.1 1.5
assign (resid 11 and name HD# )(resid 2 and name HB# ) 3.5 1.7 2.5
assign (resid 11 and name HD# )(resid 5 and name HB# ) 5 3.2 2.5
assign (resid 11 and name HD# )(resid 25 and name HB# ) 5 3.2 1.5
assign (resid 11 and name HD# )(resid 4 and name HB# ) 3.5 1.7 2.5


assign (resid 81 and name HG2# )(resid 78 and name HA ) 5 3.2 1.5
assign (resid 81 and name HG2# )(resid 88 and name HA ) 5 3.2 1.5
assign (resid 81 and name HG2# )(resid 85 and name HB# ) 5 3.2 2.5
assign (resid 81 and name HG2# )(resid 86 and name HG# ) 5 3.2 2.5
assign (resid 81 and name HG2# )(resid 86 and name HB# ) 5 3.2 2.5

assign (resid 81 and name HD# )(resid 78 and name HA ) 5 3.2 1.5
assign (resid 81 and name HD# )(resid 77 and name HG ) 5 3.2 1.5

assign (resid 50 and name HD# )(resid 30 and name HA ) 3.5 1.7 1.5
assign (resid 50 and name HD# )(resid 17 and name HA ) 5 3.2 1.5
assign (resid 50 and name HG2# )(resid 17 and name HA ) 5 3.2 1.5
assign (resid 50 and name HG2# )(resid 51 and name HA ) 5 3.2 1.5
assign (resid 50 and name HG2# )(resid 52 and name HA ) 5 3.2 1.5
assign (resid 50 and name HG2# )(resid 17 and name HG# ) 3.5 1.7 3
assign (resid 50 and name HG2# )(resid 17 and name HE# ) 3.5 1.7 3
assign (resid 50 and name HG2# )(resid 29 and name HB# ) 3.5 1.7 3
assign (resid 50 and name HD# )(resid 29 and name HB# ) 3.5 1.7 3
assign (resid 50 and name HD# )(resid 17 and name HE# ) 3.5 1.7 3


assign (resid 60 and name HE# )(resid 23 and name HG2# ) 5 3.2 3.0

assign (resid 79 and name HB# )(resid 76 and name HA ) 3.5 1.7 1.5
assign (resid 79 and name HB# )(resid 80 and name HB# ) 5.0 3.2 2.5

assign (resid 23 and name HG# )(resid 70 and name HG2# ) 3.5 1.7 3.0
assign (resid 23 and name HG# )(resid 11 and name HG2# ) 3.5 1.7 3.0
assign (resid 23 and name HG# )(resid 11 and name HD# ) 3.5 1.7 3.0
assign (resid 23 and name HG# )(resid 60 and name HE# ) 3.5 1.7 3.0
assign (resid 23 and name HG# )(resid 58 and name HD# ) 3.5 1.7 3.0
assign (resid 23 and name HG# )(resid 16 and name HA ) 3.5 1.7 1.5
assign (resid 23 and name HG# )(resid 14 and name HA ) 3.5 1.7 1.5

assign (resid 29 and name HB# )(resid 50 and name HD# ) 3.5 1.7 3.0
assign (resid 29 and name HB# )(resid 30 and name HG2# ) 3.5 1.7 3.0
assign (resid 29 and name HB# )(resid 17 and name HE# ) 3.5 1.7 3.0
assign (resid 29 and name HB# )(resid 24 and name HB# ) 3.5 1.7 3.0
assign (resid 29 and name HB# )(resid 15 and name HA# ) 3.5 1.7 3.0

assign (resid 17 and name HE# )(resid 47 and name HA ) 3.5 1.7 1.5
assign (resid 17 and name HE# )(resid 41 and name HD# ) 3.5 1.7 3.0
assign (resid 17 and name HE# )(resid 29 and name HA ) 3.5 1.7 1.5
assign (resid 17 and name HE# )(resid 47 and name HG# ) 3.5 1.7 3.0

assign (resid 64 and name HG# )(resid 67 and name HB# ) 3.5 1.7 2.5

assign (resid 13 and name HG# )(resid 26 and name HB# ) 3.5 1.7 2.5
assign (resid 13 and name HG# )(resid 52 and name HB# ) 3.5 1.7 2.5
assign (resid 13 and name HG# )(resid 52 and name HG# ) 3.5 1.7 2.5

assign (resid 47 and name HG# )(resid 17 and name HB# ) 3.5 1.7 2.5
assign (resid 47 and name HG# )(resid 17 and name HG# ) 3.5 1.7 2.5
assign (resid 47 and name HG# )(resid 40 and name HB# ) 3.5 1.7 2.5
assign (resid 47 and name HG# )(resid 41 and name HD# ) 3.5 1.7 2.5
assign (resid 47 and name HG# )(resid 39 and name HA ) 3.5 1.7 1.5
assign (resid 47 and name HG# )(resid 46 and name HA ) 5.0 3.2 1.5
assign (resid 47 and name HG# )(resid 39 and name HG# ) 3.5 1.7 2.5
assign (resid 47 and name HG# )(resid 38 and name HB# ) 3.5 1.7 2.5

assign (resid 47 and name HG# )(resid 17 and name HA ) 3.5 1.7 1.5

assign (resid 58 and name HD# )(resid 72 and name HA ) 3.5 1.7 1.5
assign (resid 58 and name HD# )(resid 72 and name HD# ) 3.5 1.7 3.0
assign (resid 58 and name HD# )(resid 70 and name HB ) 3.5 1.7 1.5
assign (resid 58 and name HD# )(resid 53 and name HB# ) 5 3.2 2.5

assign (resid 76 and name HA )(resid 79 and name HB# ) 3.5 1.7 1.5


assign (resid 77 and name HD# )(resid 59 and name HB# ) 3.5 1.7 2.5
assign (resid 77 and name HD# )(resid 61 and name HB# ) 3.5 1.7 2.5
assign (resid 77 and name HD# )(resid 74 and name HA ) 3.5 1.7 1.5

assign (resid 77 and name HD# )(resid 61 and name HA ) 3.5 1.7 1.5
assign (resid 72 and name HD# )(resid 21 and name HA ) 5.0 3.2 1.5

assign (resid 70 and name HG2# )(resid 60 and name HA ) 3.5 1.7 1.5
assign (resid 70 and name HG2# )(resid 60 and name HB# ) 3.5 1.7 1.5
assign (resid 70 and name HG2# )(resid 60 and name HE# ) 3.5 1.7 1.5
assign (resid 70 and name HG2# )(resid 60 and name HG# ) 3.5 1.7 1.5
assign (resid 70 and name HG2# )(resid 58 and name HD# ) 3.5 1.7 1.5

!alpha-helix A
assign (resid 75 and name O ) (resid 79 and name HN ) 2.2 0.4 0.0
assign (resid 75 and name O ) (resid 79 and name N ) 3.3 1.1 0.0

assign (resid 76 and name O ) (resid 80 and name HN ) 2.2 0.4 0.0
assign (resid 76 and name O ) (resid 80 and name N ) 3.3 1.1 0.0

assign (resid 77 and name O ) (resid 81 and name HN ) 2.2 0.4 0.0
assign (resid 77 and name O ) (resid 81 and name N ) 3.3 1.1 0.0

assign (resid 78 and name O ) (resid 82 and name HN ) 2.2 0.4 0.0
assign (resid 78 and name O ) (resid 82 and name N ) 3.3 1.1 0.0

assign (resid 79 and name O ) (resid 83 and name HN ) 2.2 0.4 0.0
assign (resid 79 and name O ) (resid 83 and name N ) 3.3 1.1 0.0

assign (resid 80 and name O ) (resid 84 and name HN ) 2.2 0.4 0.0
assign (resid 80 and name O ) (resid 84 and name N ) 3.3 1.1 0.0


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


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


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

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


assign (resid 31 and name O ) (resid 35 and name HN ) 2.2 0.4 0.0
assign (resid 31 and name O ) (resid 35 and name N ) 3.3 1.1 0.0


!beta

assign (resid 53 and name O ) (resid 14 and name HN ) 2.2 0.4 0.0
assign (resid 53 and name O ) (resid 14 and name N ) 3.3 1.1 0.0

assign (resid 51 and name O ) (resid 16 and name HN ) 2.2 0.4 0.0
assign (resid 51 and name O ) (resid 16 and name N ) 3.3 1.1 0.0

assign (resid 14 and name O ) (resid 53 and name HN ) 2.2 0.4 0.0
assign (resid 14 and name O ) (resid 53 and name N ) 3.3 1.1 0.0

assign (resid 16 and name O ) (resid 51 and name HN ) 2.2 0.4 0.0
assign (resid 16 and name O ) (resid 51 and name N ) 3.3 1.1 0.0


assign (resid 15 and name O ) (resid 24 and name HN ) 2.2 0.4 0.0
assign (resid 15 and name O ) (resid 24 and name N ) 3.3 1.1 0.0

assign (resid 17 and name O ) (resid 22 and name HN ) 2.2 0.4 0.0
assign (resid 17 and name O ) (resid 22 and name N ) 3.3 1.1 0.0

assign (resid 24 and name O ) (resid 15 and name HN ) 2.2 0.4 0.0
assign (resid 24 and name O ) (resid 15 and name N ) 3.3 1.1 0.0

assign (resid 22 and name O ) (resid 17 and name HN ) 2.2 0.4 0.0
assign (resid 22 and name O ) (resid 17 and name N ) 3.3 1.1 0.0
set echo=true end
set wrnlev=5 end


assign  (resid 101  and resname ZN2)  (resid 4   and name   SG)  2.35  0.02  0.02
assign  (resid 101  and resname ZN2)  (resid 7  and name   SG)  2.35  0.02  0.02
assign  (resid 101  and resname ZN2)  (resid 25  and name   SG)  2.35  0.02  0.02
assign  (resid 101  and resname ZN2)  (resid 28  and name   SG)  2.35  0.02  0.02
! Zn CB restraints
assign  (resid 101  and resname ZN2)  (resid 4   and name   CB)  3.38  0.13  0.13
assign  (resid 101  and resname ZN2)  (resid 7  and name   CB)  3.38  0.13  0.13
assign  (resid 101  and resname ZN2)  (resid 25  and name   CB)  3.38  0.13  0.13
assign  (resid 101  and resname ZN2)  (resid 28  and name   CB)  3.38  0.13  0.13

assign  (resid 102  and resname ZN2)  (resid 20   and name   SG)  2.35  0.02  0.02
assign  (resid 102  and resname ZN2)  (resid 40  and name   SG)  2.35  0.02  0.02
assign  (resid 102  and resname ZN2)  (resid 43  and name   SG)  2.35  0.02  0.02
assign  (resid 102  and resname ZN2)  (resid 22  and name   ND1)  2.0  0.02  0.02

assign  (resid 102  and resname ZN2)  (resid 20   and name   CB)  3.38  0.13  0.13
assign  (resid 102  and resname ZN2)  (resid 40  and name   CB)  3.38  0.13  0.13
assign  (resid 102  and resname ZN2)  (resid 43  and name   CB)  3.38  0.13  0.13
!assign  (resid 102  and resname ZN2)  (resid 22  and name   CB)  3.38  0.13  0.13

assign  (resid 103  and resname ZN2)  (resid 61   and name   SG)  2.35  0.02  0.02
assign  (resid 103  and resname ZN2)  (resid 67  and name   SG)  2.35  0.02  0.02
assign  (resid 103  and resname ZN2)  (resid 80  and name   NE2)  2.00  0.02  0.02
assign  (resid 103  and resname ZN2)  (resid 85  and name   NE2)  2.00  0.02  0.02

assign  (resid 103  and resname ZN2)  (resid 61   and name   CB)  3.38  0.13  0.13
assign  (resid 103  and resname ZN2)  (resid 67  and name   CB)  3.38  0.13  0.13



assign (resid   2 and name c  ) (resid   3 and name n)
       (resid   3 and name ca ) (resid   3 and name c)  1.0  -108.0 50.0 2
assign (resid   3 and name n  ) (resid   3 and name ca)
       (resid   3 and name c  ) (resid   4 and name n)  1.0   132.0 28.0 2
assign (resid   3 and name c  ) (resid   4 and name n)
       (resid   4 and name ca ) (resid   4 and name c)  1.0   -97.0 50.0 2
assign (resid   4 and name n  ) (resid   4 and name ca)
       (resid   4 and name c  ) (resid   5 and name n)  1.0   126.0 20.0 2
assign (resid   4 and name c  ) (resid   5 and name n)
       (resid   5 and name ca ) (resid   5 and name c)  1.0   -88.0 50.0 2
assign (resid  13 and name n  ) (resid  13 and name ca)
       (resid  13 and name c  ) (resid  14 and name n)  1.0   137.0 20.0 2
assign (resid  13 and name c  ) (resid  14 and name n)
       (resid  14 and name ca ) (resid  14 and name c)  1.0  -114.0 50.0 2
assign (resid  15 and name c  ) (resid  16 and name n)
       (resid  16 and name ca ) (resid  16 and name c)  1.0  -106.0 50.0 2
assign (resid  16 and name n  ) (resid  16 and name ca)
       (resid  16 and name c  ) (resid  17 and name n)  1.0   123.0 24.0 2
assign (resid  16 and name c  ) (resid  17 and name n)
       (resid  17 and name ca ) (resid  17 and name c)  1.0   -99.0 50.0 2
assign (resid  17 and name n  ) (resid  17 and name ca)
       (resid  17 and name c  ) (resid  18 and name n)  1.0   129.0 20.0 2
assign (resid  25 and name c  ) (resid  26 and name n)
       (resid  26 and name ca ) (resid  26 and name c)  1.0   -57.0 20.0 2
assign (resid  26 and name n  ) (resid  26 and name ca)
       (resid  26 and name c  ) (resid  27 and name n)  1.0   -40.0 28.0 2
assign (resid  26 and name c  ) (resid  27 and name n)
       (resid  27 and name ca ) (resid  27 and name c)  1.0   -62.0 20.0 2
assign (resid  27 and name n  ) (resid  27 and name ca)
       (resid  27 and name c  ) (resid  28 and name n)  1.0   -39.0 20.0 2
assign (resid  27 and name c  ) (resid  28 and name n)
       (resid  28 and name ca ) (resid  28 and name c)  1.0   -63.0 20.0 2
assign (resid  28 and name n  ) (resid  28 and name ca)
       (resid  28 and name c  ) (resid  29 and name n)  1.0   -43.0 20.0 2
assign (resid  28 and name c  ) (resid  29 and name n)
       (resid  29 and name ca ) (resid  29 and name c)  1.0   -61.0 20.0 2
assign (resid  29 and name n  ) (resid  29 and name ca)
       (resid  29 and name c  ) (resid  30 and name n)  1.0   -39.0 20.0 2
assign (resid  29 and name c  ) (resid  30 and name n)
       (resid  30 and name ca ) (resid  30 and name c)  1.0   -71.2 45.2 2
assign (resid  30 and name n  ) (resid  30 and name ca)
       (resid  30 and name c  ) (resid  31 and name n)  1.0   -32.3 29.5 2
assign (resid  30 and name c  ) (resid  31 and name n)
       (resid  31 and name ca ) (resid  31 and name c)  1.0   -64.4 24.2 2
assign (resid  31 and name n  ) (resid  31 and name ca)
       (resid  31 and name c  ) (resid  32 and name n)  1.0   -39.5 20.0 2
assign (resid  31 and name c  ) (resid  32 and name n)
       (resid  32 and name ca ) (resid  32 and name c)  1.0   -65.0 20.0 2
assign (resid  32 and name n  ) (resid  32 and name ca)
       (resid  32 and name c  ) (resid  33 and name n)  1.0   -37.1 20.0 2
assign (resid  32 and name c  ) (resid  33 and name n)
       (resid  33 and name ca ) (resid  33 and name c)  1.0   -67.6 20.0 2
assign (resid  33 and name n  ) (resid  33 and name ca)
       (resid  33 and name c  ) (resid  34 and name n)  1.0   -43.5 20.0 2
assign (resid  33 and name c  ) (resid  34 and name n)
       (resid  34 and name ca ) (resid  34 and name c)  1.0   -64.0 21.0 2
assign (resid  34 and name n  ) (resid  34 and name ca)
       (resid  34 and name c  ) (resid  35 and name n)  1.0   -39.0 20.0 2
assign (resid  34 and name c  ) (resid  35 and name n)
       (resid  35 and name ca ) (resid  35 and name c)  1.0   -61.0 20.0 2
assign (resid  50 and name n  ) (resid  50 and name ca)
       (resid  50 and name c  ) (resid  51 and name n)  1.0   124.0 20.0 2
assign (resid  50 and name c  ) (resid  51 and name n)
       (resid  51 and name ca ) (resid  51 and name c)  1.0  -119.0 50.0 2
assign (resid  51 and name n  ) (resid  51 and name ca)
       (resid  51 and name c  ) (resid  52 and name n)  1.0   134.0 32.0 2
assign (resid  51 and name c  ) (resid  52 and name n)
       (resid  52 and name ca ) (resid  52 and name c)  1.0  -106.0 50.0 2
assign (resid  52 and name n  ) (resid  52 and name ca)
       (resid  52 and name c  ) (resid  53 and name n)  1.0   131.0 20.0 2
assign (resid  52 and name c  ) (resid  53 and name n)
       (resid  53 and name ca ) (resid  53 and name c)  1.0  -109.0 50.0 2
assign (resid  53 and name n  ) (resid  53 and name ca)
       (resid  53 and name c  ) (resid  54 and name n)  1.0   141.0 48.0 2
assign (resid  57 and name c  ) (resid  58 and name n)
       (resid  58 and name ca ) (resid  58 and name c)  1.0  -116.0 50.0 2
assign (resid  58 and name n  ) (resid  58 and name ca)
       (resid  58 and name c  ) (resid  59 and name n)  1.0   146.0 26.0 2
assign (resid  58 and name c  ) (resid  59 and name n)
       (resid  59 and name ca ) (resid  59 and name c)  1.0  -107.0 50.0 2
assign (resid  59 and name n  ) (resid  59 and name ca)
       (resid  59 and name c  ) (resid  60 and name n)  1.0   129.0 26.0 2
assign (resid  59 and name c  ) (resid  60 and name n)
       (resid  60 and name ca ) (resid  60 and name c)  1.0  -102.0 50.0 2
assign (resid  60 and name n  ) (resid  60 and name ca)
       (resid  60 and name c  ) (resid  61 and name n)  1.0   124.0 20.0 2
assign (resid  60 and name c  ) (resid  61 and name n)
       (resid  61 and name ca ) (resid  61 and name c)  1.0   -96.0 45.0 2
assign (resid  61 and name n  ) (resid  61 and name ca)
       (resid  61 and name c  ) (resid  62 and name n)  1.0   119.0 24.0 2
assign (resid  73 and name c  ) (resid  74 and name n)
       (resid  74 and name ca ) (resid  74 and name c)  1.0   -63.0 27.0 2
assign (resid  74 and name n  ) (resid  74 and name ca)
       (resid  74 and name c  ) (resid  75 and name n)  1.0   -36.0 22.0 2
assign (resid  74 and name c  ) (resid  75 and name n)
       (resid  75 and name ca ) (resid  75 and name c)  1.0   -64.1 20.0 2
assign (resid  75 and name n  ) (resid  75 and name ca)
       (resid  75 and name c  ) (resid  76 and name n)  1.0   -39.6 20.0 2
assign (resid  75 and name c  ) (resid  76 and name n)
       (resid  76 and name ca ) (resid  76 and name c)  1.0   -63.9 24.3 2
assign (resid  76 and name n  ) (resid  76 and name ca)
       (resid  76 and name c  ) (resid  77 and name n)  1.0   -42.6 20.0 2
assign (resid  76 and name c  ) (resid  77 and name n)
       (resid  77 and name ca ) (resid  77 and name c)  1.0   -65.8 20.0 2
assign (resid  77 and name n  ) (resid  77 and name ca)
       (resid  77 and name c  ) (resid  78 and name n)  1.0   -41.0 20.0 2
assign (resid  77 and name c  ) (resid  78 and name n)
       (resid  78 and name ca ) (resid  78 and name c)  1.0   -61.2 20.0 2
assign (resid  78 and name n  ) (resid  78 and name ca)
       (resid  78 and name c  ) (resid  79 and name n)  1.0   -43.0 20.0 2
assign (resid  78 and name c  ) (resid  79 and name n)
       (resid  79 and name ca ) (resid  79 and name c)  1.0   -64.0 20.0 2
assign (resid  79 and name n  ) (resid  79 and name ca)
       (resid  79 and name c  ) (resid  80 and name n)  1.0   -41.3 20.0 2
assign (resid  79 and name c  ) (resid  80 and name n)
       (resid  80 and name ca ) (resid  80 and name c)  1.0   -60.8 20.1 2
assign (resid  80 and name n  ) (resid  80 and name ca)
       (resid  80 and name c  ) (resid  81 and name n)  1.0   -49.1 20.0 2
assign (resid  80 and name c  ) (resid  81 and name n)
       (resid  81 and name ca ) (resid  81 and name c)  1.0   -63.2 20.4 2
assign (resid  81 and name n  ) (resid  81 and name ca)
       (resid  81 and name c  ) (resid  82 and name n)  1.0   -41.3 20.0 2
assign (resid  81 and name c  ) (resid  82 and name n)
       (resid  82 and name ca ) (resid  82 and name c)  1.0   -62.7 20.0 2
assign (resid  82 and name n  ) (resid  82 and name ca)
       (resid  82 and name c  ) (resid  83 and name n)  1.0   -39.2 20.0 2
assign (resid  82 and name c  ) (resid  83 and name n)
       (resid  83 and name ca ) (resid  83 and name c)  1.0   -61.0 24.0 2
assign (resid  83 and name n  ) (resid  83 and name ca)
       (resid  83 and name c  ) (resid  84 and name n)  1.0   -39.0 26.0 2
assign (resid  83 and name c  ) (resid  84 and name n)
       (resid  84 and name ca ) (resid  84 and name c)  1.0   -85.0 42.0 2
assign (resid  84 and name n  ) (resid  84 and name ca)
       (resid  84 and name c  ) (resid  85 and name n)  1.0   -17.0 42.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           HT1      VAL   1 -10.940  -3.880   4.151
    2    H2   VAL   1           HT2      VAL   1 -11.891  -3.292   5.430
    3    H3   VAL   1           HT3      VAL   1 -12.100  -2.679   3.859
    4    HA   VAL   1           HA       VAL   1 -13.878  -4.216   4.422
    5    HB   VAL   1           HB       VAL   1 -12.629  -5.965   2.525
    6   HG11  VAL   1          HG11      VAL   1 -14.580  -3.658   2.255
    7   HG12  VAL   1          HG12      VAL   1 -14.992  -5.352   2.515
    8   HG13  VAL   1          HG13      VAL   1 -14.255  -4.847   0.994
    9   HG21  VAL   1          HG21      VAL   1 -11.877  -4.275   0.875
   10   HG22  VAL   1          HG22      VAL   1 -10.886  -4.232   2.334
   11   HG23  VAL   1          HG23      VAL   1 -12.125  -3.005   2.073
   12    H    HIS   2           HN       HIS   2 -14.335  -6.648   4.547
   13    HA   HIS   2           HA       HIS   2 -12.477  -7.835   6.534
   14    HB2  HIS   2           HB2      HIS   2 -15.110  -9.044   5.762
   15    HB3  HIS   2           HB1      HIS   2 -14.284  -9.078   7.320
   16    HD1  HIS   2           HD1      HIS   2 -14.833  -7.240   8.972
   17    HD2  HIS   2           HD2      HIS   2 -16.328  -6.441   5.160
   18    HE1  HIS   2           HE1      HIS   2 -16.300  -5.184   9.192
   19    HE2  HIS   2           HE2      HIS   2 -17.214  -4.690   6.878
   20    H    PHE   3           HN       PHE   3 -14.495  -9.157   3.915
   21    HA   PHE   3           HA       PHE   3 -12.663 -11.371   3.488
   22    HB2  PHE   3           HB2      PHE   3 -14.771 -10.589   1.507
   23    HB3  PHE   3           HB1      PHE   3 -14.253 -12.201   2.002
   24    HD1  PHE   3           HD2      PHE   3 -14.737 -12.918   4.433
   25    HD2  PHE   3           HD1      PHE   3 -16.638  -9.572   2.525
   26    HE1  PHE   3           HE2      PHE   3 -16.554 -12.988   6.120
   27    HE2  PHE   3           HE1      PHE   3 -18.455  -9.642   4.212
   28    HZ   PHE   3           HZ       PHE   3 -18.413 -11.350   6.009
   29    H    CYS   4           HN       CYS   4 -10.853 -11.292   2.243
   30    HA   CYS   4           HA       CYS   4  -9.821  -9.066   0.944
   31    HB2  CYS   4           HB2      CYS   4  -9.470 -11.796  -0.290
   32    HB3  CYS   4           HB1      CYS   4  -8.297 -10.492  -0.158
   33    H    ASP   5           HN       ASP   5  -9.989  -8.217  -1.184
   34    HA   ASP   5           HA       ASP   5 -12.530  -8.814  -2.505
   35    HB2  ASP   5           HB2      ASP   5 -10.632  -7.057  -3.911
   36    HB3  ASP   5           HB1      ASP   5 -12.306  -6.759  -3.444
   37    H    LYS   6           HN       LYS   6  -9.136  -9.580  -2.931
   38    HA   LYS   6           HA       LYS   6  -9.670 -10.649  -5.641
   39    HB2  LYS   6           HB2      LYS   6  -7.652  -9.415  -5.523
   40    HB3  LYS   6           HB1      LYS   6  -7.152 -10.214  -4.036
   41    HG2  LYS   6           HG2      LYS   6  -7.650 -12.002  -6.357
   42    HG3  LYS   6           HG1      LYS   6  -6.267 -10.926  -6.507
   43    HD2  LYS   6           HD2      LYS   6  -5.135 -11.890  -4.726
   44    HD3  LYS   6           HD1      LYS   6  -6.612 -12.451  -3.946
   45    HE2  LYS   6           HE2      LYS   6  -5.368 -14.342  -4.904
   46    HE3  LYS   6           HE1      LYS   6  -6.915 -14.134  -5.724
   47    HZ1  LYS   6           HZ1      LYS   6  -5.749 -14.051  -7.596
   48    HZ2  LYS   6           HZ2      LYS   6  -4.269 -13.926  -6.770
   49    HZ3  LYS   6           HZ3      LYS   6  -5.181 -12.532  -7.101
   50    H    CYS   7           HN       CYS   7  -8.904 -11.775  -2.379
   51    HA   CYS   7           HA       CYS   7  -8.910 -14.577  -3.379
   52    HB2  CYS   7           HB2      CYS   7  -8.343 -14.463  -0.595
   53    HB3  CYS   7           HB1      CYS   7  -7.250 -14.885  -1.912
   54    H    GLY   8           HN       GLY   8 -10.744 -12.348  -1.396
   55    HA2  GLY   8           HA2      GLY   8 -12.977 -12.647  -0.651
   56    HA3  GLY   8           HA1      GLY   8 -12.926 -14.295  -1.273
   57    H    LEU   9           HN       LEU   9 -10.208 -14.271   0.455
   58    HA   LEU   9           HA       LEU   9 -11.396 -15.685   2.699
   59    HB2  LEU   9           HB2      LEU   9  -8.681 -15.074   1.702
   60    HB3  LEU   9           HB1      LEU   9  -8.803 -15.213   3.455
   61    HG   LEU   9           HG       LEU   9  -9.888 -17.414   3.213
   62   HD11  LEU   9          HD11      LEU   9 -10.034 -16.523   0.429
   63   HD12  LEU   9          HD12      LEU   9 -10.972 -17.764   1.259
   64   HD13  LEU   9          HD13      LEU   9  -9.391 -18.157   0.584
   65   HD21  LEU   9          HD21      LEU   9  -7.360 -17.142   3.271
   66   HD22  LEU   9          HD22      LEU   9  -7.380 -17.314   1.516
   67   HD23  LEU   9          HD23      LEU   9  -7.931 -18.641   2.538
   68    HA   PRO  10           HA       PRO  10 -11.959 -12.293   5.449
   69    HB2  PRO  10           HB2      PRO  10 -11.202 -13.312   7.867
   70    HB3  PRO  10           HB1      PRO  10 -12.744 -13.668   7.066
   71    HG2  PRO  10           HG2      PRO  10 -10.277 -15.316   7.236
   72    HG3  PRO  10           HG1      PRO  10 -11.976 -15.819   7.235
   73    HD2  PRO  10           HD2      PRO  10 -10.334 -16.010   5.033
   74    HD3  PRO  10           HD1      PRO  10 -12.101 -15.854   4.932
   75    H    ILE  11           HN       ILE  11 -10.557 -10.696   4.999
   76    HA   ILE  11           HA       ILE  11  -7.767 -10.615   5.157
   77    HB   ILE  11           HB       ILE  11  -9.765  -8.398   5.704
   78   HG12  ILE  11          HG12      ILE  11  -8.249  -8.985   3.156
   79   HG13  ILE  11          HG11      ILE  11  -9.822  -9.694   3.481
   80   HG21  ILE  11          HG21      ILE  11  -7.469  -7.336   4.528
   81   HG22  ILE  11          HG22      ILE  11  -6.858  -8.467   5.734
   82   HG23  ILE  11          HG23      ILE  11  -7.946  -7.167   6.218
   83   HD11  ILE  11          HD11      ILE  11  -9.413  -7.223   2.320
   84   HD12  ILE  11          HD12      ILE  11  -9.732  -6.808   4.003
   85   HD13  ILE  11          HD13      ILE  11 -10.912  -7.746   3.088
   86    H    LYS  12           HN       LYS  12  -6.444 -10.930   6.853
   87    HA   LYS  12           HA       LYS  12  -7.480 -10.638   9.604
   88    HB2  LYS  12           HB2      LYS  12  -6.094 -12.604   9.067
   89    HB3  LYS  12           HB1      LYS  12  -4.770 -11.546   8.577
   90    HG2  LYS  12           HG2      LYS  12  -4.231 -10.989  10.737
   91    HG3  LYS  12           HG1      LYS  12  -5.904 -11.082  11.288
   92    HD2  LYS  12           HD2      LYS  12  -4.543 -12.909  12.251
   93    HD3  LYS  12           HD1      LYS  12  -5.809 -13.541  11.199
   94    HE2  LYS  12           HE2      LYS  12  -3.207 -12.927   9.900
   95    HE3  LYS  12           HE1      LYS  12  -3.227 -14.308  10.997
   96    HZ1  LYS  12           HZ1      LYS  12  -5.535 -14.454   9.463
   97    HZ2  LYS  12           HZ2      LYS  12  -4.180 -15.477   9.399
   98    HZ3  LYS  12           HZ3      LYS  12  -4.269 -14.117   8.385
   99    H    VAL  13           HN       VAL  13  -5.412  -9.006   7.318
  100    HA   VAL  13           HA       VAL  13  -5.056  -6.797   9.277
  101    HB   VAL  13           HB       VAL  13  -2.870  -7.371   7.351
  102   HG11  VAL  13          HG11      VAL  13  -1.509  -6.443   9.181
  103   HG12  VAL  13          HG12      VAL  13  -2.927  -6.416  10.228
  104   HG13  VAL  13          HG13      VAL  13  -2.858  -5.369   8.811
  105   HG21  VAL  13          HG21      VAL  13  -1.812  -8.858   9.127
  106   HG22  VAL  13          HG22      VAL  13  -3.163  -9.579   8.253
  107   HG23  VAL  13          HG23      VAL  13  -3.404  -8.944   9.881
  108    H    TYR  14           HN       TYR  14  -5.165  -4.739   8.287
  109    HA   TYR  14           HA       TYR  14  -6.426  -4.744   5.654
  110    HB2  TYR  14           HB2      TYR  14  -5.854  -2.705   7.750
  111    HB3  TYR  14           HB1      TYR  14  -6.188  -2.160   6.109
  112    HD1  TYR  14           HD2      TYR  14  -7.671  -5.262   7.553
  113    HD2  TYR  14           HD1      TYR  14  -8.305  -1.116   6.613
  114    HE1  TYR  14           HE2      TYR  14 -10.099  -5.547   7.916
  115    HE2  TYR  14           HE1      TYR  14 -10.736  -1.406   6.982
  116    HH   TYR  14           HH       TYR  14 -12.390  -3.292   6.919
  117    H    GLY  15           HN       GLY  15  -4.982  -5.223   4.078
  118    HA2  GLY  15           HA2      GLY  15  -2.331  -4.003   3.980
  119    HA3  GLY  15           HA1      GLY  15  -3.023  -5.074   2.756
  120    H    ARG  16           HN       ARG  16  -2.671  -1.817   3.809
  121    HA   ARG  16           HA       ARG  16  -4.565  -0.685   1.872
  122    HB2  ARG  16           HB2      ARG  16  -4.213   0.524   3.926
  123    HB3  ARG  16           HB1      ARG  16  -2.466   0.535   3.686
  124    HG2  ARG  16           HG2      ARG  16  -2.549   2.256   2.194
  125    HG3  ARG  16           HG1      ARG  16  -4.058   1.690   1.473
  126    HD2  ARG  16           HD2      ARG  16  -5.329   2.536   3.368
  127    HD3  ARG  16           HD1      ARG  16  -3.847   3.015   4.190
  128    HE   ARG  16           HE       ARG  16  -5.093   4.394   1.910
  129   HH11  ARG  16          HH21      ARG  16  -2.328   3.892   3.920
  130   HH12  ARG  16          HH22      ARG  16  -1.648   5.451   3.597
  131   HH21  ARG  16          HH11      ARG  16  -4.212   6.437   1.490
  132   HH22  ARG  16          HH12      ARG  16  -2.709   6.886   2.223
  133    H    MET  17           HN       MET  17  -4.105   0.099  -0.125
  134    HA   MET  17           HA       MET  17  -1.264  -0.035  -1.047
  135    HB2  MET  17           HB2      MET  17  -3.541  -0.312  -2.959
  136    HB3  MET  17           HB1      MET  17  -1.920  -0.995  -3.045
  137    HG2  MET  17           HG2      MET  17  -2.532  -2.473  -1.097
  138    HG3  MET  17           HG1      MET  17  -4.178  -1.871  -1.238
  139    HE1  MET  17           HE1      MET  17  -1.209  -3.167  -2.878
  140    HE2  MET  17           HE2      MET  17  -1.696  -3.767  -4.458
  141    HE3  MET  17           HE3      MET  17  -1.779  -4.829  -3.058
  142    H    ILE  18           HN       ILE  18  -0.478   1.759  -2.006
  143    HA   ILE  18           HA       ILE  18  -2.371   3.984  -2.586
  144    HB   ILE  18           HB       ILE  18   0.041   5.214  -2.425
  145   HG12  ILE  18          HG12      ILE  18   0.155   2.974  -0.398
  146   HG13  ILE  18          HG11      ILE  18   1.135   3.063  -1.862
  147   HG21  ILE  18          HG21      ILE  18  -1.712   4.471  -0.056
  148   HG22  ILE  18          HG22      ILE  18  -2.028   5.804  -1.166
  149   HG23  ILE  18          HG23      ILE  18  -0.608   5.843  -0.124
  150   HD11  ILE  18          HD11      ILE  18   2.613   4.382  -0.800
  151   HD12  ILE  18          HD12      ILE  18   1.634   4.296   0.665
  152   HD13  ILE  18          HD13      ILE  18   1.342   5.571  -0.517
  153    HA   PRO  19           HA       PRO  19  -1.877   6.054  -3.482
  154    HB2  PRO  19           HB2      PRO  19  -2.714   7.386  -5.678
  155    HB3  PRO  19           HB1      PRO  19  -1.018   7.413  -5.156
  156    HG2  PRO  19           HG2      PRO  19  -2.295   5.895  -7.361
  157    HG3  PRO  19           HG1      PRO  19  -0.683   6.621  -7.271
  158    HD2  PRO  19           HD2      PRO  19  -1.253   3.908  -6.880
  159    HD3  PRO  19           HD1      PRO  19   0.235   4.729  -6.373
  160    H    CYS  20           HN       CYS  20  -3.121   3.446  -5.065
  161    HA   CYS  20           HA       CYS  20  -5.776   4.121  -5.756
  162    HB2  CYS  20           HB2      CYS  20  -4.440   1.862  -5.962
  163    HB3  CYS  20           HB1      CYS  20  -5.155   1.520  -4.387
  164    H    LYS  21           HN       LYS  21  -4.311   3.479  -2.620
  165    HA   LYS  21           HA       LYS  21  -5.125   3.885  -0.462
  166    HB2  LYS  21           HB2      LYS  21  -6.396   5.815  -2.080
  167    HB3  LYS  21           HB1      LYS  21  -7.693   5.069  -1.145
  168    HG2  LYS  21           HG2      LYS  21  -6.397   5.455   0.930
  169    HG3  LYS  21           HG1      LYS  21  -5.133   6.235  -0.022
  170    HD2  LYS  21           HD2      LYS  21  -7.265   7.640  -0.894
  171    HD3  LYS  21           HD1      LYS  21  -7.827   7.240   0.729
  172    HE2  LYS  21           HE2      LYS  21  -6.631   9.338   0.862
  173    HE3  LYS  21           HE1      LYS  21  -5.631   8.098   1.618
  174    HZ1  LYS  21           HZ1      LYS  21  -5.015   9.738  -0.573
  175    HZ2  LYS  21           HZ2      LYS  21  -5.043   8.126  -1.108
  176    HZ3  LYS  21           HZ3      LYS  21  -4.036   8.578   0.183
  177    H    HIS  22           HN       HIS  22  -5.808   1.587  -2.213
  178    HA   HIS  22           HA       HIS  22  -8.491   0.823  -1.205
  179    HB2  HIS  22           HB2      HIS  22  -6.634  -0.332  -3.280
  180    HB3  HIS  22           HB1      HIS  22  -8.041  -1.224  -2.699
  181    HD2  HIS  22           HD2      HIS  22  -9.002   2.440  -2.808
  182    HE1  HIS  22           HE1      HIS  22 -10.103   0.891  -6.579
  183    HE2  HIS  22           HE2      HIS  22 -10.345   2.863  -5.002
  184    H    VAL  23           HN       VAL  23  -8.733  -1.404  -0.253
  185    HA   VAL  23           HA       VAL  23  -6.306  -2.137   1.334
  186    HB   VAL  23           HB       VAL  23  -8.845  -3.075   2.403
  187   HG11  VAL  23          HG11      VAL  23  -6.535  -3.091   3.463
  188   HG12  VAL  23          HG12      VAL  23  -7.832  -2.449   4.468
  189   HG13  VAL  23          HG13      VAL  23  -6.712  -1.348   3.666
  190   HG21  VAL  23          HG21      VAL  23  -8.280  -0.097   2.284
  191   HG22  VAL  23          HG22      VAL  23  -9.524  -0.856   3.277
  192   HG23  VAL  23          HG23      VAL  23  -9.639  -0.923   1.520
  193    H    PHE  24           HN       PHE  24  -6.158  -4.356   1.971
  194    HA   PHE  24           HA       PHE  24  -7.778  -6.423   0.718
  195    HB2  PHE  24           HB2      PHE  24  -4.905  -6.069  -0.210
  196    HB3  PHE  24           HB1      PHE  24  -5.940  -7.440  -0.593
  197    HD1  PHE  24           HD1      PHE  24  -5.354  -3.858  -1.143
  198    HD2  PHE  24           HD2      PHE  24  -7.698  -7.269  -2.248
  199    HE1  PHE  24           HE1      PHE  24  -6.205  -2.621  -3.105
  200    HE2  PHE  24           HE2      PHE  24  -8.558  -6.037  -4.214
  201    HZ   PHE  24           HZ       PHE  24  -7.811  -3.717  -4.659
  202    H    CYS  25           HN       CYS  25  -5.946  -8.502   0.912
  203    HA   CYS  25           HA       CYS  25  -5.499  -8.570   3.834
  204    HB2  CYS  25           HB2      CYS  25  -4.435 -10.900   2.848
  205    HB3  CYS  25           HB1      CYS  25  -6.125 -10.705   3.320
  206    H    TYR  26           HN       TYR  26  -3.623  -7.622   4.529
  207    HA   TYR  26           HA       TYR  26  -1.491  -6.793   2.950
  208    HB2  TYR  26           HB2      TYR  26  -1.849  -6.239   5.379
  209    HB3  TYR  26           HB1      TYR  26  -1.199  -7.826   5.778
  210    HD1  TYR  26           HD2      TYR  26  -0.279  -4.927   3.527
  211    HD2  TYR  26           HD1      TYR  26   1.042  -7.880   6.359
  212    HE1  TYR  26           HE2      TYR  26   2.028  -4.046   3.376
  213    HE2  TYR  26           HE1      TYR  26   3.350  -6.992   6.205
  214    HH   TYR  26           HH       TYR  26   4.313  -4.494   5.509
  215    H    ASP  27           HN       ASP  27  -2.311 -10.035   3.723
  216    HA   ASP  27           HA       ASP  27   0.396 -11.066   3.295
  217    HB2  ASP  27           HB2      ASP  27  -1.491 -12.136   4.736
  218    HB3  ASP  27           HB1      ASP  27  -2.109 -12.733   3.195
  219    H    CYS  28           HN       CYS  28  -2.686 -11.189   1.512
  220    HA   CYS  28           HA       CYS  28  -1.328 -12.261  -0.839
  221    HB2  CYS  28           HB2      CYS  28  -4.068 -11.036  -0.963
  222    HB3  CYS  28           HB1      CYS  28  -3.440 -12.432  -1.829
  223    H    ALA  29           HN       ALA  29  -1.999  -9.169   0.501
  224    HA   ALA  29           HA       ALA  29  -1.870  -7.662  -1.952
  225    HB1  ALA  29           HB1      ALA  29  -2.695  -6.982   0.488
  226    HB2  ALA  29           HB2      ALA  29  -2.001  -5.772  -0.591
  227    HB3  ALA  29           HB3      ALA  29  -1.011  -6.494   0.677
  228    H    ILE  30           HN       ILE  30   0.501  -8.880   0.390
  229    HA   ILE  30           HA       ILE  30   2.666  -7.415  -0.905
  230    HB   ILE  30           HB       ILE  30   4.139  -8.596   0.623
  231   HG12  ILE  30          HG12      ILE  30   1.750 -10.073   1.701
  232   HG13  ILE  30          HG11      ILE  30   2.825 -10.812   0.525
  233   HG21  ILE  30          HG21      ILE  30   3.331  -6.834   1.805
  234   HG22  ILE  30          HG22      ILE  30   2.599  -8.114   2.770
  235   HG23  ILE  30          HG23      ILE  30   1.651  -7.287   1.540
  236   HD11  ILE  30          HD11      ILE  30   4.737 -10.414   2.041
  237   HD12  ILE  30          HD12      ILE  30   3.506 -11.424   2.799
  238   HD13  ILE  30          HD13      ILE  30   3.635  -9.719   3.229
  239    H    LEU  31           HN       LEU  31   1.243 -10.628  -1.035
  240    HA   LEU  31           HA       LEU  31   3.341 -11.825  -2.617
  241    HB2  LEU  31           HB2      LEU  31   0.386 -12.419  -2.370
  242    HB3  LEU  31           HB1      LEU  31   1.443 -13.358  -3.419
  243    HG   LEU  31           HG       LEU  31   2.268 -12.911  -0.570
  244   HD11  LEU  31          HD11      LEU  31  -0.030 -14.556  -1.524
  245   HD12  LEU  31          HD12      LEU  31   0.223 -13.778   0.038
  246   HD13  LEU  31          HD13      LEU  31   1.046 -15.291  -0.336
  247   HD21  LEU  31          HD21      LEU  31   3.648 -14.720  -0.954
  248   HD22  LEU  31          HD22      LEU  31   3.489 -14.154  -2.616
  249   HD23  LEU  31          HD23      LEU  31   2.501 -15.497  -2.045
  250    H    HIS  32           HN       HIS  32   0.554  -9.813  -3.375
  251    HA   HIS  32           HA       HIS  32   0.761 -10.097  -6.248
  252    HB2  HIS  32           HB2      HIS  32  -0.734  -8.386  -4.339
  253    HB3  HIS  32           HB1      HIS  32  -0.423  -7.668  -5.920
  254    HD1  HIS  32           HD1      HIS  32  -1.642  -8.660  -7.945
  255    HD2  HIS  32           HD2      HIS  32  -2.355 -10.776  -4.420
  256    HE1  HIS  32           HE1      HIS  32  -3.523 -10.283  -8.449
  257    HE2  HIS  32           HE2      HIS  32  -3.965 -11.574  -6.311
  258    H    GLU  33           HN       GLU  33   1.977  -7.775  -3.861
  259    HA   GLU  33           HA       GLU  33   3.235  -6.023  -5.730
  260    HB2  GLU  33           HB2      GLU  33   3.620  -4.909  -3.807
  261    HB3  GLU  33           HB1      GLU  33   3.090  -6.313  -2.893
  262    HG2  GLU  33           HG2      GLU  33   5.371  -7.230  -2.928
  263    HG3  GLU  33           HG1      GLU  33   5.919  -5.854  -3.895
  264    H    LYS  34           HN       LYS  34   4.345  -8.976  -4.099
  265    HA   LYS  34           HA       LYS  34   7.009  -8.869  -5.231
  266    HB2  LYS  34           HB2      LYS  34   5.350 -10.994  -3.884
  267    HB3  LYS  34           HB1      LYS  34   6.871 -11.424  -4.667
  268    HG2  LYS  34           HG2      LYS  34   8.149 -10.200  -3.169
  269    HG3  LYS  34           HG1      LYS  34   6.838  -9.077  -2.808
  270    HD2  LYS  34           HD2      LYS  34   5.727 -10.658  -1.416
  271    HD3  LYS  34           HD1      LYS  34   6.721 -11.989  -2.008
  272    HE2  LYS  34           HE2      LYS  34   7.387 -11.154   0.275
  273    HE3  LYS  34           HE1      LYS  34   8.686 -11.096  -0.918
  274    HZ1  LYS  34           HZ1      LYS  34   8.726  -8.873  -0.885
  275    HZ2  LYS  34           HZ2      LYS  34   7.922  -9.023   0.605
  276    HZ3  LYS  34           HZ3      LYS  34   7.038  -8.727  -0.815
  277    H    LYS  35           HN       LYS  35   3.891  -9.758  -6.380
  278    HA   LYS  35           HA       LYS  35   4.871 -11.483  -8.508
  279    HB2  LYS  35           HB2      LYS  35   2.529 -11.496  -7.354
  280    HB3  LYS  35           HB1      LYS  35   2.153 -10.214  -8.506
  281    HG2  LYS  35           HG2      LYS  35   1.538 -12.073  -9.747
  282    HG3  LYS  35           HG1      LYS  35   3.225 -11.911 -10.239
  283    HD2  LYS  35           HD2      LYS  35   3.635 -13.437  -8.100
  284    HD3  LYS  35           HD1      LYS  35   1.968 -13.921  -8.414
  285    HE2  LYS  35           HE2      LYS  35   3.134 -15.449  -9.730
  286    HE3  LYS  35           HE1      LYS  35   2.815 -14.165 -10.896
  287    HZ1  LYS  35           HZ1      LYS  35   5.321 -14.943  -9.624
  288    HZ2  LYS  35           HZ2      LYS  35   5.080 -13.282  -9.888
  289    HZ3  LYS  35           HZ3      LYS  35   5.034 -14.368 -11.194
  290    H    GLY  36           HN       GLY  36   3.314  -8.280  -8.445
  291    HA2  GLY  36           HA2      GLY  36   4.633  -7.693 -11.075
  292    HA3  GLY  36           HA1      GLY  36   3.064  -7.042 -10.612
  293    H    ASP  37           HN       ASP  37   3.936  -6.537  -7.832
  294    HA   ASP  37           HA       ASP  37   5.036  -4.853  -6.589
  295    HB2  ASP  37           HB2      ASP  37   6.965  -5.727  -8.291
  296    HB3  ASP  37           HB1      ASP  37   6.816  -4.049  -8.814
  297    H    LYS  38           HN       LYS  38   2.967  -4.408  -8.955
  298    HA   LYS  38           HA       LYS  38   2.644  -1.590  -8.466
  299    HB2  LYS  38           HB2      LYS  38   3.016  -0.967 -10.884
  300    HB3  LYS  38           HB1      LYS  38   4.453  -1.270  -9.909
  301    HG2  LYS  38           HG2      LYS  38   5.030  -3.115 -11.102
  302    HG3  LYS  38           HG1      LYS  38   3.364  -3.687 -11.178
  303    HD2  LYS  38           HD2      LYS  38   2.895  -2.011 -12.960
  304    HD3  LYS  38           HD1      LYS  38   4.592  -1.528 -12.920
  305    HE2  LYS  38           HE2      LYS  38   4.807  -4.248 -13.168
  306    HE3  LYS  38           HE1      LYS  38   3.344  -3.925 -14.100
  307    HZ1  LYS  38           HZ1      LYS  38   4.468  -2.720 -15.630
  308    HZ2  LYS  38           HZ2      LYS  38   5.754  -3.714 -15.135
  309    HZ3  LYS  38           HZ3      LYS  38   5.610  -2.137 -14.520
  310    H    MET  39           HN       MET  39   0.959  -4.009  -8.476
  311    HA   MET  39           HA       MET  39  -1.136  -2.973 -10.281
  312    HB2  MET  39           HB2      MET  39  -1.598  -5.095 -11.305
  313    HB3  MET  39           HB1      MET  39   0.131  -4.803 -11.489
  314    HG2  MET  39           HG2      MET  39   0.289  -6.098  -9.196
  315    HG3  MET  39           HG1      MET  39  -1.280  -6.738  -9.684
  316    HE1  MET  39           HE1      MET  39  -1.499  -7.144 -12.498
  317    HE2  MET  39           HE2      MET  39  -1.697  -8.478 -11.364
  318    HE3  MET  39           HE3      MET  39  -0.734  -8.706 -12.821
  319    H    CYS  40           HN       CYS  40  -2.877  -2.677  -9.030
  320    HA   CYS  40           HA       CYS  40  -3.170  -3.740  -6.415
  321    HB2  CYS  40           HB2      CYS  40  -4.399  -1.759  -7.740
  322    HB3  CYS  40           HB1      CYS  40  -5.626  -3.010  -7.935
  323    HA   PRO  41           HA       PRO  41  -4.436  -7.984  -7.181
  324    HB2  PRO  41           HB2      PRO  41  -6.541  -7.419  -5.134
  325    HB3  PRO  41           HB1      PRO  41  -5.412  -8.785  -5.239
  326    HG2  PRO  41           HG2      PRO  41  -5.047  -6.790  -3.516
  327    HG3  PRO  41           HG1      PRO  41  -3.688  -7.598  -4.314
  328    HD2  PRO  41           HD2      PRO  41  -4.796  -4.886  -4.790
  329    HD3  PRO  41           HD1      PRO  41  -3.151  -5.508  -5.059
  330    H    GLY  42           HN       GLY  42  -6.953  -5.495  -6.880
  331    HA2  GLY  42           HA2      GLY  42  -8.549  -6.969  -8.959
  332    HA3  GLY  42           HA1      GLY  42  -9.288  -6.032  -7.667
  333    H    CYS  43           HN       CYS  43  -7.482  -3.773  -7.827
  334    HA   CYS  43           HA       CYS  43  -8.732  -2.443 -10.118
  335    HB2  CYS  43           HB2      CYS  43  -6.670  -1.004  -8.557
  336    HB3  CYS  43           HB1      CYS  43  -8.303  -0.504  -9.000
  337    H    SER  44           HN       SER  44  -5.777  -4.064  -9.541
  338    HA   SER  44           HA       SER  44  -3.759  -4.140 -10.753
  339    HB2  SER  44           HB2      SER  44  -5.359  -5.060 -12.407
  340    HB3  SER  44           HB1      SER  44  -5.679  -3.431 -12.995
  341    HG   SER  44           HG       SER  44  -4.071  -3.941 -14.283
  342    H    ASP  45           HN       ASP  45  -4.360  -1.583  -9.521
  343    HA   ASP  45           HA       ASP  45  -3.546   0.434 -11.514
  344    HB2  ASP  45           HB2      ASP  45  -4.826   0.446  -8.893
  345    HB3  ASP  45           HB1      ASP  45  -3.512   1.619  -8.981
  346    HA   PRO  46           HA       PRO  46   0.761   0.356 -10.656
  347    HB2  PRO  46           HB2      PRO  46   1.310   3.043 -10.094
  348    HB3  PRO  46           HB1      PRO  46   1.208   2.329 -11.711
  349    HG2  PRO  46           HG2      PRO  46  -0.815   3.894 -10.206
  350    HG3  PRO  46           HG1      PRO  46  -0.457   3.873 -11.941
  351    HD2  PRO  46           HD2      PRO  46  -2.621   2.604 -10.910
  352    HD3  PRO  46           HD1      PRO  46  -1.746   1.975 -12.324
  353    H    VAL  47           HN       VAL  47   0.072  -0.825  -8.567
  354    HA   VAL  47           HA       VAL  47  -0.245   0.343  -6.051
  355    HB   VAL  47           HB       VAL  47   1.458  -2.079  -6.679
  356   HG11  VAL  47          HG11      VAL  47   1.869  -1.332  -4.435
  357   HG12  VAL  47          HG12      VAL  47   0.785  -2.721  -4.362
  358   HG13  VAL  47          HG13      VAL  47   0.144  -1.090  -4.154
  359   HG21  VAL  47          HG21      VAL  47  -0.919  -2.018  -7.556
  360   HG22  VAL  47          HG22      VAL  47  -1.445  -1.937  -5.879
  361   HG23  VAL  47          HG23      VAL  47  -0.552  -3.345  -6.459
  362    H    GLN  48           HN       GLN  48   0.951   2.208  -5.608
  363    HA   GLN  48           HA       GLN  48   3.746   2.492  -6.201
  364    HB2  GLN  48           HB2      GLN  48   2.495   4.505  -5.876
  365    HB3  GLN  48           HB1      GLN  48   1.901   3.962  -4.307
  366    HG2  GLN  48           HG2      GLN  48   3.851   4.505  -3.234
  367    HG3  GLN  48           HG1      GLN  48   4.854   4.082  -4.623
  368   HE21  GLN  48          HE21      GLN  48   2.823   6.665  -3.248
  369   HE22  GLN  48          HE22      GLN  48   3.419   7.896  -4.252
  370    H    ARG  49           HN       ARG  49   2.145   2.165  -3.014
  371    HA   ARG  49           HA       ARG  49   4.223   0.227  -2.257
  372    HB2  ARG  49           HB2      ARG  49   5.520   1.690  -1.156
  373    HB3  ARG  49           HB1      ARG  49   4.409   3.000  -1.530
  374    HG2  ARG  49           HG2      ARG  49   3.060   2.452   0.454
  375    HG3  ARG  49           HG1      ARG  49   4.130   1.091   0.817
  376    HD2  ARG  49           HD2      ARG  49   5.321   3.818   0.476
  377    HD3  ARG  49           HD1      ARG  49   4.500   3.428   1.988
  378    HE   ARG  49           HE       ARG  49   6.460   1.421   1.143
  379   HH11  ARG  49          HH21      ARG  49   5.798   4.335   2.864
  380   HH12  ARG  49          HH22      ARG  49   7.155   4.171   3.928
  381   HH21  ARG  49          HH11      ARG  49   8.235   1.192   2.521
  382   HH22  ARG  49          HH12      ARG  49   8.535   2.392   3.733
  383    H    ILE  50           HN       ILE  50   3.415  -1.271  -0.854
  384    HA   ILE  50           HA       ILE  50   0.629  -0.885   0.038
  385    HB   ILE  50           HB       ILE  50   2.252  -3.376   0.450
  386   HG12  ILE  50          HG12      ILE  50   0.914  -2.385  -2.067
  387   HG13  ILE  50          HG11      ILE  50   2.592  -2.862  -1.863
  388   HG21  ILE  50          HG21      ILE  50  -0.577  -3.460  -0.372
  389   HG22  ILE  50          HG22      ILE  50  -0.286  -2.697   1.189
  390   HG23  ILE  50          HG23      ILE  50   0.251  -4.351   0.901
  391   HD11  ILE  50          HD11      ILE  50   1.794  -5.189  -1.317
  392   HD12  ILE  50          HD12      ILE  50   1.447  -4.680  -2.970
  393   HD13  ILE  50          HD13      ILE  50   0.167  -4.679  -1.763
  394    H    GLU  51           HN       GLU  51   0.040  -1.018   2.156
  395    HA   GLU  51           HA       GLU  51   2.174  -1.247   4.207
  396    HB2  GLU  51           HB2      GLU  51   0.159   1.012   4.116
  397    HB3  GLU  51           HB1      GLU  51   1.404   0.771   5.345
  398    HG2  GLU  51           HG2      GLU  51   3.134   0.896   3.537
  399    HG3  GLU  51           HG1      GLU  51   1.852   1.311   2.398
  400    H    GLN  52           HN       GLN  52   1.407  -1.901   6.260
  401    HA   GLN  52           HA       GLN  52  -1.205  -3.285   6.135
  402    HB2  GLN  52           HB2      GLN  52  -0.417  -4.683   7.843
  403    HB3  GLN  52           HB1      GLN  52   1.052  -4.331   6.933
  404    HG2  GLN  52           HG2      GLN  52   1.292  -2.311   8.568
  405    HG3  GLN  52           HG1      GLN  52   0.162  -3.211   9.581
  406   HE21  GLN  52          HE21      GLN  52   0.844  -5.486  10.184
  407   HE22  GLN  52          HE22      GLN  52   2.500  -5.838  10.297
  408    H    CYS  53           HN       CYS  53  -2.813  -2.978   7.763
  409    HA   CYS  53           HA       CYS  53  -2.405  -0.837   9.744
  410    HB2  CYS  53           HB2      CYS  53  -3.857  -0.462   7.235
  411    HB3  CYS  53           HB1      CYS  53  -4.855  -0.120   8.648
  412    H    THR  54           HN       THR  54  -4.443  -0.633  11.136
  413    HA   THR  54           HA       THR  54  -5.377  -3.327  11.790
  414    HB   THR  54           HB       THR  54  -6.838  -1.482  13.315
  415    HG1  THR  54           HG1      THR  54  -5.180  -0.058  13.985
  416   HG21  THR  54          HG21      THR  54  -5.178  -2.130  15.088
  417   HG22  THR  54          HG22      THR  54  -4.221  -2.916  13.832
  418   HG23  THR  54          HG23      THR  54  -5.844  -3.501  14.202
  419    H    ARG  55           HN       ARG  55  -7.704  -3.863  11.897
  420    HA   ARG  55           HA       ARG  55  -9.092  -2.908   9.532
  421    HB2  ARG  55           HB2      ARG  55 -10.946  -4.418  10.371
  422    HB3  ARG  55           HB1      ARG  55  -9.394  -5.225  10.145
  423    HG2  ARG  55           HG2      ARG  55  -9.174  -5.663  12.356
  424    HG3  ARG  55           HG1      ARG  55  -9.703  -4.043  12.813
  425    HD2  ARG  55           HD2      ARG  55 -11.230  -5.986  13.513
  426    HD3  ARG  55           HD1      ARG  55 -12.001  -4.639  12.675
  427    HE   ARG  55           HE       ARG  55 -12.510  -6.125  10.924
  428   HH11  ARG  55          HH21      ARG  55  -9.896  -7.271  12.857
  429   HH12  ARG  55          HH22      ARG  55  -9.773  -8.787  12.028
  430   HH21  ARG  55          HH11      ARG  55 -12.365  -8.098   9.831
  431   HH22  ARG  55          HH12      ARG  55 -11.171  -9.255  10.315
  432    H    GLY  56           HN       GLY  56  -8.526  -1.005  11.739
  433    HA2  GLY  56           HA2      GLY  56 -11.254   0.145  11.864
  434    HA3  GLY  56           HA1      GLY  56 -10.382  -0.062  13.389
  435    H    SER  57           HN       SER  57  -8.347   0.464  10.728
  436    HA   SER  57           HA       SER  57  -7.766   3.198  11.725
  437    HB2  SER  57           HB2      SER  57  -6.121   1.882   9.610
  438    HB3  SER  57           HB1      SER  57  -5.612   2.912  10.945
  439    HG   SER  57           HG       SER  57  -5.389   1.196  12.131
  440    H    LEU  58           HN       LEU  58  -9.227   1.607   9.033
  441    HA   LEU  58           HA       LEU  58  -9.090   4.128   7.424
  442    HB2  LEU  58           HB2      LEU  58  -9.942   1.417   6.408
  443    HB3  LEU  58           HB1      LEU  58  -9.414   2.816   5.476
  444    HG   LEU  58           HG       LEU  58  -7.692   1.151   7.334
  445   HD11  LEU  58          HD11      LEU  58  -7.173   1.580   4.417
  446   HD12  LEU  58          HD12      LEU  58  -8.426   0.433   4.880
  447   HD13  LEU  58          HD13      LEU  58  -6.767   0.197   5.432
  448   HD21  LEU  58          HD21      LEU  58  -5.926   2.682   6.061
  449   HD22  LEU  58          HD22      LEU  58  -6.718   3.252   7.530
  450   HD23  LEU  58          HD23      LEU  58  -7.300   3.782   5.952
  451    H    PHE  59           HN       PHE  59 -11.116   4.597   6.158
  452    HA   PHE  59           HA       PHE  59 -13.547   3.817   7.722
  453    HB2  PHE  59           HB2      PHE  59 -13.022   6.429   6.276
  454    HB3  PHE  59           HB1      PHE  59 -14.468   6.026   7.204
  455    HD1  PHE  59           HD1      PHE  59 -10.746   6.277   7.535
  456    HD2  PHE  59           HD2      PHE  59 -14.559   6.481   9.502
  457    HE1  PHE  59           HE1      PHE  59  -9.632   7.030   9.618
  458    HE2  PHE  59           HE2      PHE  59 -13.444   7.236  11.585
  459    HZ   PHE  59           HZ       PHE  59 -10.980   7.510  11.642
  460    H    MET  60           HN       MET  60 -14.743   2.446   6.502
  461    HA   MET  60           HA       MET  60 -14.471   2.388   3.593
  462    HB2  MET  60           HB2      MET  60 -16.371   0.882   5.412
  463    HB3  MET  60           HB1      MET  60 -16.067   0.522   3.713
  464    HG2  MET  60           HG2      MET  60 -13.518   0.611   4.804
  465    HG3  MET  60           HG1      MET  60 -14.472  -0.161   6.071
  466    HE1  MET  60           HE1      MET  60 -14.165   0.178   2.356
  467    HE2  MET  60           HE2      MET  60 -14.007  -1.453   1.710
  468    HE3  MET  60           HE3      MET  60 -12.676  -0.740   2.617
  469    H    CYS  61           HN       CYS  61 -16.015   2.978   2.077
  470    HA   CYS  61           HA       CYS  61 -18.188   4.772   3.068
  471    HB2  CYS  61           HB2      CYS  61 -17.012   6.049   1.529
  472    HB3  CYS  61           HB1      CYS  61 -16.546   4.646   0.567
  473    H    SER  62           HN       SER  62 -20.333   4.380   2.451
  474    HA   SER  62           HA       SER  62 -20.867   2.042   0.689
  475    HB2  SER  62           HB2      SER  62 -20.910   1.126   2.952
  476    HB3  SER  62           HB1      SER  62 -21.984   2.416   3.484
  477    HG   SER  62           HG       SER  62 -23.531   1.153   2.851
  478    H    ILE  63           HN       ILE  63 -21.410   3.999  -0.672
  479    HA   ILE  63           HA       ILE  63 -24.010   5.254   0.062
  480    HB   ILE  63           HB       ILE  63 -21.973   5.916  -2.082
  481   HG12  ILE  63          HG12      ILE  63 -21.672   6.440   0.497
  482   HG13  ILE  63          HG11      ILE  63 -21.261   7.648  -0.718
  483   HG21  ILE  63          HG21      ILE  63 -24.026   6.568  -3.034
  484   HG22  ILE  63          HG22      ILE  63 -23.457   8.032  -2.238
  485   HG23  ILE  63          HG23      ILE  63 -24.700   7.045  -1.476
  486   HD11  ILE  63          HD11      ILE  63 -22.721   8.421   1.268
  487   HD12  ILE  63          HD12      ILE  63 -24.025   7.525   0.496
  488   HD13  ILE  63          HD13      ILE  63 -23.263   8.869  -0.347
  489    H    VAL  64           HN       VAL  64 -22.477   3.981  -2.918
  490    HA   VAL  64           HA       VAL  64 -24.829   2.320  -3.462
  491    HB   VAL  64           HB       VAL  64 -25.590   4.526  -4.268
  492   HG11  VAL  64          HG11      VAL  64 -23.664   4.649  -6.485
  493   HG12  VAL  64          HG12      VAL  64 -22.930   4.912  -4.904
  494   HG13  VAL  64          HG13      VAL  64 -24.259   5.940  -5.441
  495   HG21  VAL  64          HG21      VAL  64 -26.371   3.764  -6.344
  496   HG22  VAL  64          HG22      VAL  64 -25.947   2.257  -5.534
  497   HG23  VAL  64          HG23      VAL  64 -24.852   2.954  -6.727
  498    H    GLN  65           HN       GLN  65 -24.497   1.172  -5.645
  499    HA   GLN  65           HA       GLN  65 -23.101  -0.285  -6.855
  500    HB2  GLN  65           HB2      GLN  65 -22.580   2.264  -7.618
  501    HB3  GLN  65           HB1      GLN  65 -20.980   1.784  -7.052
  502    HG2  GLN  65           HG2      GLN  65 -21.293  -0.336  -8.470
  503    HG3  GLN  65           HG1      GLN  65 -22.650   0.506  -9.220
  504   HE21  GLN  65          HE21      GLN  65 -22.129   2.642 -10.289
  505   HE22  GLN  65          HE22      GLN  65 -20.570   2.886 -10.915
  506    H    GLY  66           HN       GLY  66 -20.254  -0.336  -6.985
  507    HA2  GLY  66           HA2      GLY  66 -19.681  -1.416  -4.278
  508    HA3  GLY  66           HA1      GLY  66 -18.765  -1.774  -5.742
  509    H    CYS  67           HN       CYS  67 -19.657   1.174  -3.900
  510    HA   CYS  67           HA       CYS  67 -17.066   2.379  -4.590
  511    HB2  CYS  67           HB2      CYS  67 -19.386   3.571  -4.312
  512    HB3  CYS  67           HB1      CYS  67 -18.988   3.548  -2.594
  513    H    LYS  68           HN       LYS  68 -15.499   1.164  -3.507
  514    HA   LYS  68           HA       LYS  68 -15.706   1.048  -0.523
  515    HB2  LYS  68           HB2      LYS  68 -13.964  -0.581  -2.398
  516    HB3  LYS  68           HB1      LYS  68 -14.073  -0.780  -0.648
  517    HG2  LYS  68           HG2      LYS  68 -16.719  -0.821  -1.799
  518    HG3  LYS  68           HG1      LYS  68 -15.695  -2.006  -2.611
  519    HD2  LYS  68           HD2      LYS  68 -15.060  -2.979  -0.455
  520    HD3  LYS  68           HD1      LYS  68 -16.011  -1.760   0.395
  521    HE2  LYS  68           HE2      LYS  68 -18.064  -2.590  -0.641
  522    HE3  LYS  68           HE1      LYS  68 -17.141  -3.761  -1.583
  523    HZ1  LYS  68           HZ1      LYS  68 -17.000  -3.698   1.367
  524    HZ2  LYS  68           HZ2      LYS  68 -16.587  -4.964   0.313
  525    HZ3  LYS  68           HZ3      LYS  68 -18.218  -4.560   0.561
  526    H    ARG  69           HN       ARG  69 -14.930   3.473  -1.832
  527    HA   ARG  69           HA       ARG  69 -12.023   3.627  -1.905
  528    HB2  ARG  69           HB2      ARG  69 -14.198   5.733  -1.864
  529    HB3  ARG  69           HB1      ARG  69 -12.480   6.127  -1.946
  530    HG2  ARG  69           HG2      ARG  69 -13.538   4.115  -3.885
  531    HG3  ARG  69           HG1      ARG  69 -13.934   5.811  -4.161
  532    HD2  ARG  69           HD2      ARG  69 -11.690   6.429  -4.424
  533    HD3  ARG  69           HD1      ARG  69 -11.098   5.012  -3.558
  534    HE   ARG  69           HE       ARG  69 -11.227   3.781  -5.576
  535   HH11  ARG  69          HH21      ARG  69 -12.908   6.787  -5.744
  536   HH12  ARG  69          HH22      ARG  69 -13.191   6.685  -7.449
  537   HH21  ARG  69          HH11      ARG  69 -11.586   3.632  -7.803
  538   HH22  ARG  69          HH12      ARG  69 -12.442   4.899  -8.615
  539    H    THR  70           HN       THR  70 -11.249   2.924   0.127
  540    HA   THR  70           HA       THR  70 -12.306   3.981   2.612
  541    HB   THR  70           HB       THR  70  -9.757   3.081   3.193
  542    HG1  THR  70           HG1      THR  70  -9.609   2.479   0.949
  543   HG21  THR  70          HG21      THR  70 -10.932   0.963   3.829
  544   HG22  THR  70          HG22      THR  70 -12.364   1.556   2.987
  545   HG23  THR  70          HG23      THR  70 -11.750   2.418   4.397
  546    H    TYR  71           HN       TYR  71 -10.564   5.011   4.172
  547    HA   TYR  71           HA       TYR  71  -8.655   6.787   2.873
  548    HB2  TYR  71           HB2      TYR  71 -11.205   7.867   4.080
  549    HB3  TYR  71           HB1      TYR  71  -9.766   8.857   3.850
  550    HD1  TYR  71           HD2      TYR  71  -8.869   9.266   1.567
  551    HD2  TYR  71           HD1      TYR  71 -12.567   7.179   2.208
  552    HE1  TYR  71           HE2      TYR  71  -9.467   9.596  -0.816
  553    HE2  TYR  71           HE1      TYR  71 -13.166   7.508  -0.176
  554    HH   TYR  71           HH       TYR  71 -11.191   9.509  -2.306
  555    H    LEU  72           HN       LEU  72  -8.157   8.553   4.875
  556    HA   LEU  72           HA       LEU  72  -7.499   6.769   7.168
  557    HB2  LEU  72           HB2      LEU  72  -6.056   9.302   7.068
  558    HB3  LEU  72           HB1      LEU  72  -5.427   7.659   7.173
  559    HG   LEU  72           HG       LEU  72  -6.365   9.032   4.632
  560   HD11  LEU  72          HD11      LEU  72  -4.246   9.942   5.338
  561   HD12  LEU  72          HD12      LEU  72  -3.923   8.795   4.038
  562   HD13  LEU  72          HD13      LEU  72  -3.623   8.336   5.714
  563   HD21  LEU  72          HD21      LEU  72  -6.515   6.945   3.785
  564   HD22  LEU  72          HD22      LEU  72  -6.009   6.249   5.323
  565   HD23  LEU  72          HD23      LEU  72  -4.802   6.719   4.128
  566    H    SER  73           HN       SER  73  -9.433   9.430   6.298
  567    HA   SER  73           HA       SER  73 -10.099   9.841   9.144
  568    HB2  SER  73           HB2      SER  73  -8.844  11.920   7.380
  569    HB3  SER  73           HB1      SER  73 -10.025  12.416   8.588
  570    HG   SER  73           HG       SER  73  -7.751  12.334   9.268
  571    H    GLN  74           HN       GLN  74 -12.270  10.164   9.353
  572    HA   GLN  74           HA       GLN  74 -14.123   9.746   7.343
  573    HB2  GLN  74           HB2      GLN  74 -14.399  10.218   9.948
  574    HB3  GLN  74           HB1      GLN  74 -14.802  11.837   9.374
  575    HG2  GLN  74           HG2      GLN  74 -16.890  10.770   9.379
  576    HG3  GLN  74           HG1      GLN  74 -16.372  10.585   7.703
  577   HE21  GLN  74          HE21      GLN  74 -15.363   8.441   7.119
  578   HE22  GLN  74          HE22      GLN  74 -15.805   7.058   7.998
  579    H    ARG  75           HN       ARG  75 -12.428  12.729   8.094
  580    HA   ARG  75           HA       ARG  75 -13.987  14.527   6.536
  581    HB2  ARG  75           HB2      ARG  75 -12.289  15.305   8.107
  582    HB3  ARG  75           HB1      ARG  75 -11.022  14.524   7.162
  583    HG2  ARG  75           HG2      ARG  75 -12.695  16.303   5.548
  584    HG3  ARG  75           HG1      ARG  75 -11.870  17.145   6.858
  585    HD2  ARG  75           HD2      ARG  75 -10.550  15.347   4.806
  586    HD3  ARG  75           HD1      ARG  75 -10.459  17.107   4.845
  587    HE   ARG  75           HE       ARG  75  -8.933  15.286   6.523
  588   HH11  ARG  75          HH21      ARG  75 -10.425  18.382   6.250
  589   HH12  ARG  75          HH22      ARG  75  -9.368  19.140   7.393
  590   HH21  ARG  75          HH11      ARG  75  -7.544  16.257   8.018
  591   HH22  ARG  75          HH12      ARG  75  -7.737  17.937   8.395
  592    H    ASP  76           HN       ASP  76 -11.472  12.252   5.621
  593    HA   ASP  76           HA       ASP  76 -11.291  13.321   2.896
  594    HB2  ASP  76           HB2      ASP  76  -9.972  11.119   4.435
  595    HB3  ASP  76           HB1      ASP  76  -9.977  11.016   2.675
  596    H    LEU  77           HN       LEU  77 -12.792  10.644   4.595
  597    HA   LEU  77           HA       LEU  77 -13.788   9.364   2.197
  598    HB2  LEU  77           HB2      LEU  77 -13.507   8.014   4.187
  599    HB3  LEU  77           HB1      LEU  77 -14.493   9.125   5.132
  600    HG   LEU  77           HG       LEU  77 -15.851   8.110   2.734
  601   HD11  LEU  77          HD11      LEU  77 -16.241   5.865   3.753
  602   HD12  LEU  77          HD12      LEU  77 -14.999   6.230   4.947
  603   HD13  LEU  77          HD13      LEU  77 -14.572   6.108   3.242
  604   HD21  LEU  77          HD21      LEU  77 -16.784   9.416   4.739
  605   HD22  LEU  77          HD22      LEU  77 -16.622   7.920   5.656
  606   HD23  LEU  77          HD23      LEU  77 -17.692   7.985   4.256
  607    H    GLN  78           HN       GLN  78 -14.882  11.750   4.525
  608    HA   GLN  78           HA       GLN  78 -17.587  11.855   3.522
  609    HB2  GLN  78           HB2      GLN  78 -16.703  12.853   5.740
  610    HB3  GLN  78           HB1      GLN  78 -16.102  14.184   4.751
  611    HG2  GLN  78           HG2      GLN  78 -18.973  13.244   4.866
  612    HG3  GLN  78           HG1      GLN  78 -18.333  14.661   5.695
  613   HE21  GLN  78          HE21      GLN  78 -19.755  13.590   2.778
  614   HE22  GLN  78          HE22      GLN  78 -19.428  14.963   1.837
  615    H    ALA  79           HN       ALA  79 -14.571  13.406   2.893
  616    HA   ALA  79           HA       ALA  79 -15.518  15.256   0.919
  617    HB1  ALA  79           HB1      ALA  79 -13.293  15.452   2.034
  618    HB2  ALA  79           HB2      ALA  79 -13.162  15.473   0.275
  619    HB3  ALA  79           HB3      ALA  79 -12.765  14.007   1.172
  620    H    HIS  80           HN       HIS  80 -14.909  11.832   0.944
  621    HA   HIS  80           HA       HIS  80 -14.573  11.675  -1.947
  622    HB2  HIS  80           HB2      HIS  80 -13.631   9.820  -0.902
  623    HB3  HIS  80           HB1      HIS  80 -14.973   9.644   0.217
  624    HD1  HIS  80           HD1      HIS  80 -14.178   9.174  -3.464
  625    HD2  HIS  80           HD2      HIS  80 -16.972   7.929  -0.636
  626    HE1  HIS  80           HE1      HIS  80 -15.598   7.404  -4.592
  627    H    ILE  81           HN       ILE  81 -17.232  11.378   0.319
  628    HA   ILE  81           HA       ILE  81 -19.237  10.461  -1.497
  629    HB   ILE  81           HB       ILE  81 -19.888  12.445   0.656
  630   HG12  ILE  81          HG12      ILE  81 -18.243  10.825   1.580
  631   HG13  ILE  81          HG11      ILE  81 -19.805  10.756   2.364
  632   HG21  ILE  81          HG21      ILE  81 -21.850  10.910   0.916
  633   HG22  ILE  81          HG22      ILE  81 -21.241   9.980  -0.452
  634   HG23  ILE  81          HG23      ILE  81 -21.729  11.658  -0.676
  635   HD11  ILE  81          HD11      ILE  81 -18.824   8.496   1.850
  636   HD12  ILE  81          HD12      ILE  81 -18.962   8.880   0.138
  637   HD13  ILE  81          HD13      ILE  81 -20.410   8.769   1.135
  638    H    ASN  82           HN       ASN  82 -18.501  13.767  -0.424
  639    HA   ASN  82           HA       ASN  82 -20.366  14.904  -2.316
  640    HB2  ASN  82           HB2      ASN  82 -19.026  17.053  -1.769
  641    HB3  ASN  82           HB1      ASN  82 -19.949  16.290  -0.475
  642   HD21  ASN  82          HD21      ASN  82 -18.784  15.994   1.412
  643   HD22  ASN  82          HD22      ASN  82 -17.098  15.834   1.506
  644    H    HIS  83           HN       HIS  83 -17.121  13.779  -2.547
  645    HA   HIS  83           HA       HIS  83 -16.574  15.470  -4.879
  646    HB2  HIS  83           HB2      HIS  83 -15.019  13.281  -3.532
  647    HB3  HIS  83           HB1      HIS  83 -14.491  14.000  -5.047
  648    HD1  HIS  83           HD1      HIS  83 -12.447  14.728  -3.272
  649    HD2  HIS  83           HD2      HIS  83 -16.087  16.746  -2.990
  650    HE1  HIS  83           HE1      HIS  83 -11.978  16.883  -2.022
  651    HE2  HIS  83           HE2      HIS  83 -14.186  18.119  -1.846
  652    H    ARG  84           HN       ARG  84 -17.814  12.214  -4.335
  653    HA   ARG  84           HA       ARG  84 -17.855  11.894  -7.303
  654    HB2  ARG  84           HB2      ARG  84 -17.625   9.456  -5.602
  655    HB3  ARG  84           HB1      ARG  84 -17.061   9.731  -7.242
  656    HG2  ARG  84           HG2      ARG  84 -15.798  11.129  -4.860
  657    HG3  ARG  84           HG1      ARG  84 -15.256   9.562  -5.435
  658    HD2  ARG  84           HD2      ARG  84 -14.449  10.402  -7.439
  659    HD3  ARG  84           HD1      ARG  84 -15.541  11.784  -7.422
  660    HE   ARG  84           HE       ARG  84 -13.881  12.199  -5.234
  661   HH11  ARG  84          HH21      ARG  84 -13.517  11.607  -8.611
  662   HH12  ARG  84          HH22      ARG  84 -12.046  12.512  -8.746
  663   HH21  ARG  84          HH11      ARG  84 -11.963  13.386  -5.392
  664   HH22  ARG  84          HH12      ARG  84 -11.167  13.519  -6.924
  665    H    HIS  85           HN       HIS  85 -19.660  11.612  -4.361
  666    HA   HIS  85           HA       HIS  85 -21.849  10.242  -5.841
  667    HB2  HIS  85           HB2      HIS  85 -21.641  10.736  -2.868
  668    HB3  HIS  85           HB1      HIS  85 -22.768   9.667  -3.702
  669    HD1  HIS  85           HD1      HIS  85 -22.067   7.284  -3.571
  670    HD2  HIS  85           HD2      HIS  85 -18.776   9.843  -3.642
  671    HE1  HIS  85           HE1      HIS  85 -20.012   5.808  -3.459
  672    H    MET  86           HN       MET  86 -21.232  12.934  -3.632
  673    HA   MET  86           HA       MET  86 -22.462  14.904  -3.275
  674    HB2  MET  86           HB2      MET  86 -21.669  14.866  -5.817
  675    HB3  MET  86           HB1      MET  86 -23.406  14.782  -6.106
  676    HG2  MET  86           HG2      MET  86 -23.496  16.730  -4.337
  677    HG3  MET  86           HG1      MET  86 -21.807  16.951  -4.790
  678    HE1  MET  86           HE1      MET  86 -25.090  18.468  -5.429
  679    HE2  MET  86           HE2      MET  86 -24.297  19.609  -6.512
  680    HE3  MET  86           HE3      MET  86 -23.531  19.177  -4.985
  681    H    ARG  87           HN       ARG  87 -23.837  13.030  -2.172
  682    HA   ARG  87           HA       ARG  87 -25.980  12.383  -1.517
  683    HB2  ARG  87           HB2      ARG  87 -26.244  15.009  -2.564
  684    HB3  ARG  87           HB1      ARG  87 -27.594  14.073  -3.203
  685    HG2  ARG  87           HG2      ARG  87 -28.253  14.998  -1.067
  686    HG3  ARG  87           HG1      ARG  87 -28.045  13.258  -0.873
  687    HD2  ARG  87           HD2      ARG  87 -26.565  13.658   0.773
  688    HD3  ARG  87           HD1      ARG  87 -25.507  14.426  -0.411
  689    HE   ARG  87           HE       ARG  87 -26.071  16.472   0.590
  690   HH11  ARG  87          HH21      ARG  87 -28.578  14.138   0.987
  691   HH12  ARG  87          HH22      ARG  87 -29.591  15.188   1.920
  692   HH21  ARG  87          HH11      ARG  87 -27.379  17.857   1.806
  693   HH22  ARG  87          HH12      ARG  87 -28.912  17.294   2.384
  694    H    ALA  88           HN       ALA  88 -24.617  11.237  -3.881
  695    HA   ALA  88           HA       ALA  88 -25.153   9.506  -5.380
  696    HB1  ALA  88           HB1      ALA  88 -27.222   9.398  -3.644
  697    HB2  ALA  88           HB2      ALA  88 -27.139   8.397  -5.093
  698    HB3  ALA  88           HB3      ALA  88 -28.089   9.883  -5.102
  699    H    GLY  89           HN       GLY  89 -27.831  11.880  -5.625
  700    HA2  GLY  89           HA2      GLY  89 -26.842  13.101  -8.018
  701    HA3  GLY  89           HA1      GLY  89 -28.005  11.845  -8.446
  Start of MODEL    2
    1    H1   VAL   1           HT1      VAL   1 -11.268  -3.361   4.166
    2    H2   VAL   1           HT2      VAL   1 -12.512  -2.212   4.307
    3    H3   VAL   1           HT3      VAL   1 -11.928  -2.651   2.774
    4    HA   VAL   1           HA       VAL   1 -14.073  -3.747   4.113
    5    HB   VAL   1           HB       VAL   1 -14.087  -3.709   1.770
    6   HG11  VAL   1          HG11      VAL   1 -11.962  -3.433   0.965
    7   HG12  VAL   1          HG12      VAL   1 -12.111  -5.160   0.642
    8   HG13  VAL   1          HG13      VAL   1 -11.274  -4.603   2.090
    9   HG21  VAL   1          HG21      VAL   1 -13.295  -6.587   2.279
   10   HG22  VAL   1          HG22      VAL   1 -14.407  -5.971   1.063
   11   HG23  VAL   1          HG23      VAL   1 -14.856  -5.923   2.763
   12    H    HIS   2           HN       HIS   2 -14.448  -6.095   4.476
   13    HA   HIS   2           HA       HIS   2 -12.186  -7.246   6.006
   14    HB2  HIS   2           HB2      HIS   2 -14.596  -8.824   6.111
   15    HB3  HIS   2           HB1      HIS   2 -13.785  -7.959   7.418
   16    HD1  HIS   2           HD1      HIS   2 -14.412  -5.352   7.651
   17    HD2  HIS   2           HD2      HIS   2 -16.929  -7.592   5.192
   18    HE1  HIS   2           HE1      HIS   2 -16.513  -3.972   7.325
   19    HE2  HIS   2           HE2      HIS   2 -18.050  -5.326   5.831
   20    H    PHE   3           HN       PHE   3 -14.652  -8.407   3.706
   21    HA   PHE   3           HA       PHE   3 -13.108 -10.797   3.088
   22    HB2  PHE   3           HB2      PHE   3 -15.539  -9.556   1.771
   23    HB3  PHE   3           HB1      PHE   3 -14.843 -11.105   1.295
   24    HD1  PHE   3           HD1      PHE   3 -14.550 -12.890   3.158
   25    HD2  PHE   3           HD2      PHE   3 -17.102  -9.454   3.523
   26    HE1  PHE   3           HE1      PHE   3 -15.804 -14.014   4.979
   27    HE2  PHE   3           HE2      PHE   3 -18.355 -10.577   5.344
   28    HZ   PHE   3           HZ       PHE   3 -17.706 -12.858   6.072
   29    H    CYS   4           HN       CYS   4 -11.200 -10.521   1.984
   30    HA   CYS   4           HA       CYS   4 -10.379  -8.362   0.449
   31    HB2  CYS   4           HB2      CYS   4  -9.182 -10.598   1.084
   32    HB3  CYS   4           HB1      CYS   4  -9.735 -11.133  -0.499
   33    H    ASP   5           HN       ASP   5 -10.533  -7.769  -1.729
   34    HA   ASP   5           HA       ASP   5 -12.954  -8.699  -3.090
   35    HB2  ASP   5           HB2      ASP   5 -11.497  -6.306  -3.041
   36    HB3  ASP   5           HB1      ASP   5 -11.244  -6.950  -4.664
   37    H    LYS   6           HN       LYS   6  -9.570  -9.414  -3.143
   38    HA   LYS   6           HA       LYS   6  -9.796 -10.652  -5.835
   39    HB2  LYS   6           HB2      LYS   6  -7.714  -9.280  -4.520
   40    HB3  LYS   6           HB1      LYS   6  -7.206 -10.968  -4.607
   41    HG2  LYS   6           HG2      LYS   6  -8.225  -9.357  -6.969
   42    HG3  LYS   6           HG1      LYS   6  -6.524  -9.653  -6.617
   43    HD2  LYS   6           HD2      LYS   6  -6.620 -11.691  -7.562
   44    HD3  LYS   6           HD1      LYS   6  -7.995 -12.143  -6.556
   45    HE2  LYS   6           HE2      LYS   6  -8.455 -12.175  -9.046
   46    HE3  LYS   6           HE1      LYS   6  -9.552 -11.161  -8.110
   47    HZ1  LYS   6           HZ1      LYS   6  -7.411  -9.555  -8.755
   48    HZ2  LYS   6           HZ2      LYS   6  -8.969  -9.498  -9.430
   49    HZ3  LYS   6           HZ3      LYS   6  -7.751 -10.420 -10.173
   50    H    CYS   7           HN       CYS   7  -8.661 -11.500  -2.560
   51    HA   CYS   7           HA       CYS   7  -8.660 -14.343  -3.253
   52    HB2  CYS   7           HB2      CYS   7  -8.343 -13.161  -0.492
   53    HB3  CYS   7           HB1      CYS   7  -7.727 -14.700  -1.093
   54    H    GLY   8           HN       GLY   8 -10.969 -12.109  -2.049
   55    HA2  GLY   8           HA2      GLY   8 -13.159 -12.436  -1.270
   56    HA3  GLY   8           HA1      GLY   8 -13.048 -14.060  -1.950
   57    H    LEU   9           HN       LEU   9 -10.526 -13.500   0.218
   58    HA   LEU   9           HA       LEU   9 -11.885 -15.173   2.263
   59    HB2  LEU   9           HB2      LEU   9  -9.093 -14.719   1.391
   60    HB3  LEU   9           HB1      LEU   9  -9.299 -14.860   3.134
   61    HG   LEU   9           HG       LEU   9 -10.556 -16.998   2.766
   62   HD11  LEU   9          HD11      LEU   9  -9.638 -16.585  -0.098
   63   HD12  LEU   9          HD12      LEU   9 -11.310 -16.542   0.461
   64   HD13  LEU   9          HD13      LEU   9 -10.395 -18.048   0.528
   65   HD21  LEU   9          HD21      LEU   9  -7.833 -17.040   1.440
   66   HD22  LEU   9          HD22      LEU   9  -8.594 -18.327   2.375
   67   HD23  LEU   9          HD23      LEU   9  -8.050 -16.856   3.180
   68    HA   PRO  10           HA       PRO  10 -12.350 -11.795   5.047
   69    HB2  PRO  10           HB2      PRO  10 -11.716 -12.907   7.469
   70    HB3  PRO  10           HB1      PRO  10 -13.260 -13.145   6.628
   71    HG2  PRO  10           HG2      PRO  10 -10.914 -14.955   6.824
   72    HG3  PRO  10           HG1      PRO  10 -12.642 -15.343   6.764
   73    HD2  PRO  10           HD2      PRO  10 -10.953 -15.602   4.606
   74    HD3  PRO  10           HD1      PRO  10 -12.700 -15.322   4.459
   75    H    ILE  11           HN       ILE  11 -10.801 -10.334   4.589
   76    HA   ILE  11           HA       ILE  11  -8.027 -10.448   4.860
   77    HB   ILE  11           HB       ILE  11  -9.880  -8.086   5.294
   78   HG12  ILE  11          HG12      ILE  11  -8.255  -8.765   2.839
   79   HG13  ILE  11          HG11      ILE  11  -9.879  -9.410   3.062
   80   HG21  ILE  11          HG21      ILE  11  -6.970  -8.397   5.402
   81   HG22  ILE  11          HG22      ILE  11  -7.975  -7.067   5.973
   82   HG23  ILE  11          HG23      ILE  11  -7.495  -7.145   4.277
   83   HD11  ILE  11          HD11      ILE  11  -9.283  -6.955   1.938
   84   HD12  ILE  11          HD12      ILE  11  -9.696  -6.526   3.596
   85   HD13  ILE  11          HD13      ILE  11 -10.852  -7.413   2.602
   86    H    LYS  12           HN       LYS  12  -6.778 -10.812   6.594
   87    HA   LYS  12           HA       LYS  12  -7.856 -10.405   9.314
   88    HB2  LYS  12           HB2      LYS  12  -5.090 -11.357   8.512
   89    HB3  LYS  12           HB1      LYS  12  -5.882 -11.569  10.074
   90    HG2  LYS  12           HG2      LYS  12  -7.732 -12.713   8.457
   91    HG3  LYS  12           HG1      LYS  12  -6.267 -13.064   7.538
   92    HD2  LYS  12           HD2      LYS  12  -6.806 -13.771  10.436
   93    HD3  LYS  12           HD1      LYS  12  -6.647 -14.894   9.085
   94    HE2  LYS  12           HE2      LYS  12  -4.302 -13.568   8.846
   95    HE3  LYS  12           HE1      LYS  12  -4.543 -13.432  10.588
   96    HZ1  LYS  12           HZ1      LYS  12  -4.623 -15.959   9.029
   97    HZ2  LYS  12           HZ2      LYS  12  -4.833 -15.820  10.710
   98    HZ3  LYS  12           HZ3      LYS  12  -3.334 -15.445  10.004
   99    H    VAL  13           HN       VAL  13  -5.546  -9.034   7.069
  100    HA   VAL  13           HA       VAL  13  -5.213  -6.700   8.882
  101    HB   VAL  13           HB       VAL  13  -2.927  -7.480   7.177
  102   HG11  VAL  13          HG11      VAL  13  -3.031  -6.559  10.057
  103   HG12  VAL  13          HG12      VAL  13  -3.050  -5.448   8.688
  104   HG13  VAL  13          HG13      VAL  13  -1.651  -6.486   8.962
  105   HG21  VAL  13          HG21      VAL  13  -3.430  -9.649   8.102
  106   HG22  VAL  13          HG22      VAL  13  -3.709  -8.957   9.700
  107   HG23  VAL  13          HG23      VAL  13  -2.080  -8.992   9.027
  108    H    TYR  14           HN       TYR  14  -5.239  -4.729   7.704
  109    HA   TYR  14           HA       TYR  14  -6.243  -5.001   4.975
  110    HB2  TYR  14           HB2      TYR  14  -5.862  -2.720   6.863
  111    HB3  TYR  14           HB1      TYR  14  -6.091  -2.397   5.148
  112    HD1  TYR  14           HD2      TYR  14  -7.588  -5.144   7.222
  113    HD2  TYR  14           HD1      TYR  14  -8.264  -1.530   5.019
  114    HE1  TYR  14           HE2      TYR  14 -10.027  -5.449   7.479
  115    HE2  TYR  14           HE1      TYR  14 -10.708  -1.824   5.280
  116    HH   TYR  14           HH       TYR  14 -12.315  -3.489   5.746
  117    H    GLY  15           HN       GLY  15  -4.689  -5.560   3.550
  118    HA2  GLY  15           HA2      GLY  15  -2.014  -4.407   3.610
  119    HA3  GLY  15           HA1      GLY  15  -2.669  -5.429   2.321
  120    H    ARG  16           HN       ARG  16  -2.558  -2.193   3.604
  121    HA   ARG  16           HA       ARG  16  -4.252  -1.007   1.598
  122    HB2  ARG  16           HB2      ARG  16  -3.757   0.060   3.778
  123    HB3  ARG  16           HB1      ARG  16  -2.090   0.293   3.266
  124    HG2  ARG  16           HG2      ARG  16  -2.635   2.148   2.118
  125    HG3  ARG  16           HG1      ARG  16  -3.899   1.284   1.242
  126    HD2  ARG  16           HD2      ARG  16  -5.494   1.670   3.014
  127    HD3  ARG  16           HD1      ARG  16  -4.241   2.331   4.065
  128    HE   ARG  16           HE       ARG  16  -5.649   3.786   1.999
  129   HH11  ARG  16          HH21      ARG  16  -2.639   3.356   3.626
  130   HH12  ARG  16          HH22      ARG  16  -2.107   4.983   3.358
  131   HH21  ARG  16          HH11      ARG  16  -4.970   5.919   1.642
  132   HH22  ARG  16          HH12      ARG  16  -3.426   6.432   2.235
  133    H    MET  17           HN       MET  17  -3.794  -0.265  -0.402
  134    HA   MET  17           HA       MET  17  -0.952  -0.442  -1.325
  135    HB2  MET  17           HB2      MET  17  -3.119  -0.497  -3.348
  136    HB3  MET  17           HB1      MET  17  -1.620  -1.405  -3.290
  137    HG2  MET  17           HG2      MET  17  -4.059  -1.991  -1.584
  138    HG3  MET  17           HG1      MET  17  -3.618  -2.852  -3.051
  139    HE1  MET  17           HE1      MET  17  -1.560  -3.778  -3.559
  140    HE2  MET  17           HE2      MET  17  -0.661  -4.834  -2.476
  141    HE3  MET  17           HE3      MET  17  -0.187  -3.147  -2.644
  142    H    ILE  18           HN       ILE  18  -0.105   1.417  -2.191
  143    HA   ILE  18           HA       ILE  18  -2.000   3.655  -2.776
  144    HB   ILE  18           HB       ILE  18   0.378   4.922  -2.446
  145   HG12  ILE  18          HG12      ILE  18   0.419   2.621  -0.490
  146   HG13  ILE  18          HG11      ILE  18   1.494   2.805  -1.880
  147   HG21  ILE  18          HG21      ILE  18  -0.424   5.506  -0.187
  148   HG22  ILE  18          HG22      ILE  18  -1.482   4.096  -0.186
  149   HG23  ILE  18          HG23      ILE  18  -1.791   5.429  -1.295
  150   HD11  ILE  18          HD11      ILE  18   1.512   5.260  -0.416
  151   HD12  ILE  18          HD12      ILE  18   2.843   4.139  -0.676
  152   HD13  ILE  18          HD13      ILE  18   1.788   3.942   0.721
  153    HA   PRO  19           HA       PRO  19  -1.463   5.781  -3.568
  154    HB2  PRO  19           HB2      PRO  19  -2.232   7.166  -5.756
  155    HB3  PRO  19           HB1      PRO  19  -0.558   7.198  -5.165
  156    HG2  PRO  19           HG2      PRO  19  -1.728   5.720  -7.457
  157    HG3  PRO  19           HG1      PRO  19  -0.134   6.474  -7.289
  158    HD2  PRO  19           HD2      PRO  19  -0.652   3.745  -6.997
  159    HD3  PRO  19           HD1      PRO  19   0.788   4.585  -6.388
  160    H    CYS  20           HN       CYS  20  -2.629   3.263  -5.417
  161    HA   CYS  20           HA       CYS  20  -5.260   3.915  -6.122
  162    HB2  CYS  20           HB2      CYS  20  -3.744   1.553  -5.837
  163    HB3  CYS  20           HB1      CYS  20  -5.178   1.318  -4.839
  164    H    LYS  21           HN       LYS  21  -3.879   3.214  -2.969
  165    HA   LYS  21           HA       LYS  21  -4.720   3.602  -0.827
  166    HB2  LYS  21           HB2      LYS  21  -5.914   5.578  -2.413
  167    HB3  LYS  21           HB1      LYS  21  -7.271   4.812  -1.589
  168    HG2  LYS  21           HG2      LYS  21  -6.218   5.167   0.578
  169    HG3  LYS  21           HG1      LYS  21  -4.771   5.819  -0.191
  170    HD2  LYS  21           HD2      LYS  21  -7.544   7.029  -0.438
  171    HD3  LYS  21           HD1      LYS  21  -6.299   7.604   0.669
  172    HE2  LYS  21           HE2      LYS  21  -4.915   7.565  -1.694
  173    HE3  LYS  21           HE1      LYS  21  -6.535   7.969  -2.256
  174    HZ1  LYS  21           HZ1      LYS  21  -5.405   9.361   0.075
  175    HZ2  LYS  21           HZ2      LYS  21  -6.581   9.893  -1.030
  176    HZ3  LYS  21           HZ3      LYS  21  -4.946   9.834  -1.487
  177    H    HIS  22           HN       HIS  22  -5.405   1.332  -2.625
  178    HA   HIS  22           HA       HIS  22  -8.096   0.577  -1.652
  179    HB2  HIS  22           HB2      HIS  22  -6.186  -0.642  -3.648
  180    HB3  HIS  22           HB1      HIS  22  -7.608  -1.513  -3.074
  181    HD2  HIS  22           HD2      HIS  22  -9.855   0.852  -3.176
  182    HE1  HIS  22           HE1      HIS  22  -8.615   1.444  -7.170
  183    HE2  HIS  22           HE2      HIS  22 -10.461   1.894  -5.489
  184    H    VAL  23           HN       VAL  23  -8.069  -1.997  -1.031
  185    HA   VAL  23           HA       VAL  23  -5.691  -2.554   0.638
  186    HB   VAL  23           HB       VAL  23  -6.800  -2.667   2.674
  187   HG11  VAL  23          HG11      VAL  23  -8.063  -0.593   2.908
  188   HG12  VAL  23          HG12      VAL  23  -8.339  -0.528   1.171
  189   HG13  VAL  23          HG13      VAL  23  -6.709  -0.330   1.816
  190   HG21  VAL  23          HG21      VAL  23  -9.253  -3.058   0.971
  191   HG22  VAL  23          HG22      VAL  23  -9.406  -2.582   2.661
  192   HG23  VAL  23          HG23      VAL  23  -8.611  -4.100   2.242
  193    H    PHE  24           HN       PHE  24  -5.483  -4.749   1.277
  194    HA   PHE  24           HA       PHE  24  -7.449  -6.733   0.380
  195    HB2  PHE  24           HB2      PHE  24  -4.689  -6.665  -0.890
  196    HB3  PHE  24           HB1      PHE  24  -5.948  -7.865  -1.190
  197    HD1  PHE  24           HD2      PHE  24  -7.997  -7.268  -2.425
  198    HD2  PHE  24           HD1      PHE  24  -4.838  -4.425  -1.817
  199    HE1  PHE  24           HE2      PHE  24  -8.985  -5.796  -4.155
  200    HE2  PHE  24           HE1      PHE  24  -5.834  -2.953  -3.548
  201    HZ   PHE  24           HZ       PHE  24  -7.898  -3.639  -4.725
  202    H    CYS  25           HN       CYS  25  -6.473  -9.042   0.912
  203    HA   CYS  25           HA       CYS  25  -5.579  -8.991   3.612
  204    HB2  CYS  25           HB2      CYS  25  -4.545 -11.356   2.334
  205    HB3  CYS  25           HB1      CYS  25  -5.892 -11.215   3.460
  206    H    TYR  26           HN       TYR  26  -3.713  -8.106   4.303
  207    HA   TYR  26           HA       TYR  26  -1.541  -7.353   2.733
  208    HB2  TYR  26           HB2      TYR  26  -1.941  -6.675   5.108
  209    HB3  TYR  26           HB1      TYR  26  -1.389  -8.268   5.609
  210    HD1  TYR  26           HD2      TYR  26  -0.144  -5.627   3.179
  211    HD2  TYR  26           HD1      TYR  26   0.762  -8.268   6.452
  212    HE1  TYR  26           HE2      TYR  26   2.197  -4.848   3.166
  213    HE2  TYR  26           HE1      TYR  26   3.106  -7.479   6.432
  214    HH   TYR  26           HH       TYR  26   4.117  -4.754   5.058
  215    H    ASP  27           HN       ASP  27  -2.484 -10.524   3.445
  216    HA   ASP  27           HA       ASP  27   0.169 -11.709   3.367
  217    HB2  ASP  27           HB2      ASP  27  -2.628 -12.818   3.084
  218    HB3  ASP  27           HB1      ASP  27  -1.205 -13.834   2.854
  219    H    CYS  28           HN       CYS  28  -2.447 -11.245   1.015
  220    HA   CYS  28           HA       CYS  28  -0.789 -12.344  -1.129
  221    HB2  CYS  28           HB2      CYS  28  -2.952 -10.785  -2.175
  222    HB3  CYS  28           HB1      CYS  28  -2.793 -12.542  -2.152
  223    H    ALA  29           HN       ALA  29  -1.448  -9.260   0.322
  224    HA   ALA  29           HA       ALA  29  -0.541  -7.626  -1.858
  225    HB1  ALA  29           HB1      ALA  29  -0.743  -5.852  -0.375
  226    HB2  ALA  29           HB2      ALA  29  -0.105  -6.779   0.981
  227    HB3  ALA  29           HB3      ALA  29  -1.765  -7.035   0.438
  228    H    ILE  30           HN       ILE  30   1.109  -9.269   0.828
  229    HA   ILE  30           HA       ILE  30   3.666  -8.070   0.107
  230    HB   ILE  30           HB       ILE  30   4.612  -9.499   1.820
  231   HG12  ILE  30          HG12      ILE  30   1.894 -10.776   2.126
  232   HG13  ILE  30          HG11      ILE  30   3.213 -11.554   1.262
  233   HG21  ILE  30          HG21      ILE  30   3.777  -7.879   3.130
  234   HG22  ILE  30          HG22      ILE  30   2.474  -8.999   3.518
  235   HG23  ILE  30          HG23      ILE  30   2.268  -7.822   2.226
  236   HD11  ILE  30          HD11      ILE  30   2.732 -11.672   4.015
  237   HD12  ILE  30          HD12      ILE  30   4.094 -10.565   3.844
  238   HD13  ILE  30          HD13      ILE  30   4.194 -12.195   3.180
  239    H    LEU  31           HN       LEU  31   1.937 -11.081  -0.548
  240    HA   LEU  31           HA       LEU  31   4.186 -12.407  -1.791
  241    HB2  LEU  31           HB2      LEU  31   1.203 -12.729  -2.175
  242    HB3  LEU  31           HB1      LEU  31   2.381 -13.744  -2.991
  243    HG   LEU  31           HG       LEU  31   2.225 -13.402   0.019
  244   HD11  LEU  31          HD11      LEU  31   1.520 -15.984  -0.461
  245   HD12  LEU  31          HD12      LEU  31   0.804 -15.191  -1.863
  246   HD13  LEU  31          HD13      LEU  31   0.354 -14.680  -0.236
  247   HD21  LEU  31          HD21      LEU  31   4.310 -14.290  -0.142
  248   HD22  LEU  31          HD22      LEU  31   4.087 -14.748  -1.828
  249   HD23  LEU  31          HD23      LEU  31   3.484 -15.793  -0.544
  250    H    HIS  32           HN       HIS  32   2.078  -9.834  -2.772
  251    HA   HIS  32           HA       HIS  32   2.646 -10.136  -5.627
  252    HB2  HIS  32           HB2      HIS  32   1.056  -8.320  -3.916
  253    HB3  HIS  32           HB1      HIS  32   1.767  -7.562  -5.341
  254    HD1  HIS  32           HD1      HIS  32   1.009  -8.447  -7.678
  255    HD2  HIS  32           HD2      HIS  32  -0.961 -10.245  -4.470
  256    HE1  HIS  32           HE1      HIS  32  -0.968  -9.697  -8.657
  257    HE2  HIS  32           HE2      HIS  32  -2.173 -10.793  -6.713
  258    H    GLU  33           HN       GLU  33   3.740  -8.142  -2.918
  259    HA   GLU  33           HA       GLU  33   5.615  -6.607  -4.523
  260    HB2  GLU  33           HB2      GLU  33   4.689  -6.638  -1.801
  261    HB3  GLU  33           HB1      GLU  33   6.454  -6.647  -1.811
  262    HG2  GLU  33           HG2      GLU  33   4.779  -4.727  -3.447
  263    HG3  GLU  33           HG1      GLU  33   5.441  -4.346  -1.858
  264    H    LYS  34           HN       LYS  34   5.738  -9.634  -2.741
  265    HA   LYS  34           HA       LYS  34   8.642  -9.816  -2.813
  266    HB2  LYS  34           HB2      LYS  34   6.401 -11.709  -2.128
  267    HB3  LYS  34           HB1      LYS  34   8.046 -12.315  -2.327
  268    HG2  LYS  34           HG2      LYS  34   8.863 -11.066  -0.517
  269    HG3  LYS  34           HG1      LYS  34   7.510  -9.934  -0.565
  270    HD2  LYS  34           HD2      LYS  34   6.057 -11.414   0.498
  271    HD3  LYS  34           HD1      LYS  34   6.976 -12.833  -0.001
  272    HE2  LYS  34           HE2      LYS  34   7.164 -12.162   2.469
  273    HE3  LYS  34           HE1      LYS  34   8.680 -12.429   1.608
  274    HZ1  LYS  34           HZ1      LYS  34   8.586  -9.946   1.127
  275    HZ2  LYS  34           HZ2      LYS  34   8.983 -10.419   2.710
  276    HZ3  LYS  34           HZ3      LYS  34   7.416  -9.866   2.354
  277    H    LYS  35           HN       LYS  35   5.940 -10.882  -4.794
  278    HA   LYS  35           HA       LYS  35   7.653 -12.446  -6.562
  279    HB2  LYS  35           HB2      LYS  35   4.744 -11.703  -6.521
  280    HB3  LYS  35           HB1      LYS  35   5.458 -12.344  -8.001
  281    HG2  LYS  35           HG2      LYS  35   6.254 -14.326  -6.764
  282    HG3  LYS  35           HG1      LYS  35   5.540 -13.688  -5.282
  283    HD2  LYS  35           HD2      LYS  35   3.342 -13.976  -6.068
  284    HD3  LYS  35           HD1      LYS  35   3.857 -14.066  -7.752
  285    HE2  LYS  35           HE2      LYS  35   4.549 -16.137  -5.651
  286    HE3  LYS  35           HE1      LYS  35   3.215 -16.294  -6.794
  287    HZ1  LYS  35           HZ1      LYS  35   6.112 -16.151  -7.389
  288    HZ2  LYS  35           HZ2      LYS  35   4.923 -15.939  -8.582
  289    HZ3  LYS  35           HZ3      LYS  35   5.036 -17.412  -7.743
  290    H    GLY  36           HN       GLY  36   7.645  -9.297  -6.069
  291    HA2  GLY  36           HA2      GLY  36   8.092  -7.396  -7.375
  292    HA3  GLY  36           HA1      GLY  36   8.874  -8.532  -8.477
  293    H    ASP  37           HN       ASP  37   5.468  -8.040  -7.529
  294    HA   ASP  37           HA       ASP  37   4.726  -8.178 -10.391
  295    HB2  ASP  37           HB2      ASP  37   3.587  -9.238  -8.073
  296    HB3  ASP  37           HB1      ASP  37   2.514  -7.915  -8.531
  297    H    LYS  38           HN       LYS  38   4.411  -6.061  -7.573
  298    HA   LYS  38           HA       LYS  38   3.739  -3.835  -7.415
  299    HB2  LYS  38           HB2      LYS  38   5.121  -3.921 -10.092
  300    HB3  LYS  38           HB1      LYS  38   4.604  -2.421  -9.310
  301    HG2  LYS  38           HG2      LYS  38   6.095  -2.637  -7.578
  302    HG3  LYS  38           HG1      LYS  38   6.114  -4.397  -7.685
  303    HD2  LYS  38           HD2      LYS  38   7.212  -2.830  -9.990
  304    HD3  LYS  38           HD1      LYS  38   8.197  -2.970  -8.532
  305    HE2  LYS  38           HE2      LYS  38   7.996  -5.422  -8.622
  306    HE3  LYS  38           HE1      LYS  38   7.000  -5.295 -10.069
  307    HZ1  LYS  38           HZ1      LYS  38   8.885  -4.125 -11.137
  308    HZ2  LYS  38           HZ2      LYS  38   9.234  -5.736 -10.724
  309    HZ3  LYS  38           HZ3      LYS  38   9.833  -4.462  -9.771
  310    H    MET  39           HN       MET  39   1.639  -5.143  -7.781
  311    HA   MET  39           HA       MET  39   0.017  -3.520  -9.635
  312    HB2  MET  39           HB2      MET  39  -0.888  -5.357 -10.855
  313    HB3  MET  39           HB1      MET  39   0.844  -5.652 -10.824
  314    HG2  MET  39           HG2      MET  39   0.360  -7.023  -8.679
  315    HG3  MET  39           HG1      MET  39  -1.319  -6.998  -9.217
  316    HE1  MET  39           HE1      MET  39  -1.507  -8.969 -12.372
  317    HE2  MET  39           HE2      MET  39  -1.522  -7.221 -12.155
  318    HE3  MET  39           HE3      MET  39  -2.317  -8.255 -10.971
  319    H    CYS  40           HN       CYS  40  -1.776  -2.895  -8.511
  320    HA   CYS  40           HA       CYS  40  -2.375  -3.885  -5.904
  321    HB2  CYS  40           HB2      CYS  40  -3.217  -1.760  -6.190
  322    HB3  CYS  40           HB1      CYS  40  -3.724  -2.076  -7.843
  323    HA   PRO  41           HA       PRO  41  -4.335  -7.825  -7.001
  324    HB2  PRO  41           HB2      PRO  41  -5.960  -7.200  -4.572
  325    HB3  PRO  41           HB1      PRO  41  -5.120  -8.698  -5.012
  326    HG2  PRO  41           HG2      PRO  41  -4.157  -6.981  -3.190
  327    HG3  PRO  41           HG1      PRO  41  -3.115  -7.964  -4.230
  328    HD2  PRO  41           HD2      PRO  41  -3.598  -5.052  -4.296
  329    HD3  PRO  41           HD1      PRO  41  -2.247  -5.991  -4.971
  330    H    GLY  42           HN       GLY  42  -6.079  -4.833  -6.444
  331    HA2  GLY  42           HA2      GLY  42  -8.544  -5.966  -7.661
  332    HA3  GLY  42           HA1      GLY  42  -8.425  -4.401  -6.861
  333    H    CYS  43           HN       CYS  43  -6.718  -2.897  -8.016
  334    HA   CYS  43           HA       CYS  43  -7.684  -2.530 -10.709
  335    HB2  CYS  43           HB2      CYS  43  -5.293  -1.252  -9.363
  336    HB3  CYS  43           HB1      CYS  43  -6.095  -0.666 -10.818
  337    H    SER  44           HN       SER  44  -4.651  -3.684  -9.314
  338    HA   SER  44           HA       SER  44  -3.120  -5.221 -10.182
  339    HB2  SER  44           HB2      SER  44  -3.779  -6.649 -11.859
  340    HB3  SER  44           HB1      SER  44  -5.346  -6.005 -11.387
  341    HG   SER  44           HG       SER  44  -3.743  -5.407 -13.622
  342    H    ASP  45           HN       ASP  45  -2.189  -2.728 -10.249
  343    HA   ASP  45           HA       ASP  45  -0.295  -2.745 -12.319
  344    HB2  ASP  45           HB2      ASP  45  -1.393  -2.048 -14.137
  345    HB3  ASP  45           HB1      ASP  45  -2.855  -1.722 -13.212
  346    HA   PRO  46           HA       PRO  46  -0.064   1.530 -10.308
  347    HB2  PRO  46           HB2      PRO  46  -2.090   2.576  -8.904
  348    HB3  PRO  46           HB1      PRO  46  -2.136   2.497 -10.674
  349    HG2  PRO  46           HG2      PRO  46  -3.476   0.746  -8.673
  350    HG3  PRO  46           HG1      PRO  46  -4.090   1.381 -10.209
  351    HD2  PRO  46           HD2      PRO  46  -3.025  -1.181  -9.844
  352    HD3  PRO  46           HD1      PRO  46  -3.219  -0.363 -11.403
  353    H    VAL  47           HN       VAL  47   0.860  -0.727  -8.845
  354    HA   VAL  47           HA       VAL  47   0.256  -0.070  -6.006
  355    HB   VAL  47           HB       VAL  47   1.401  -2.422  -7.402
  356   HG11  VAL  47          HG11      VAL  47   3.324  -1.994  -6.030
  357   HG12  VAL  47          HG12      VAL  47   2.364  -3.173  -5.145
  358   HG13  VAL  47          HG13      VAL  47   2.322  -1.477  -4.671
  359   HG21  VAL  47          HG21      VAL  47  -0.913  -2.120  -6.330
  360   HG22  VAL  47          HG22      VAL  47  -0.074  -2.221  -4.787
  361   HG23  VAL  47          HG23      VAL  47  -0.027  -3.582  -5.898
  362    H    GLN  48           HN       GLN  48   1.506   1.464  -5.078
  363    HA   GLN  48           HA       GLN  48   4.227   1.963  -6.149
  364    HB2  GLN  48           HB2      GLN  48   2.996   3.999  -5.976
  365    HB3  GLN  48           HB1      GLN  48   2.392   3.580  -4.374
  366    HG2  GLN  48           HG2      GLN  48   4.361   4.150  -3.330
  367    HG3  GLN  48           HG1      GLN  48   5.349   3.697  -4.720
  368   HE21  GLN  48          HE21      GLN  48   3.952   6.366  -3.076
  369   HE22  GLN  48          HE22      GLN  48   4.230   7.540  -4.269
  370    H    ARG  49           HN       ARG  49   2.708   1.988  -2.911
  371    HA   ARG  49           HA       ARG  49   4.833   0.134  -1.991
  372    HB2  ARG  49           HB2      ARG  49   5.978   1.785  -0.974
  373    HB3  ARG  49           HB1      ARG  49   4.728   2.962  -1.345
  374    HG2  ARG  49           HG2      ARG  49   3.465   2.313   0.642
  375    HG3  ARG  49           HG1      ARG  49   4.610   1.009   0.977
  376    HD2  ARG  49           HD2      ARG  49   5.188   2.874   2.393
  377    HD3  ARG  49           HD1      ARG  49   6.420   2.754   1.136
  378    HE   ARG  49           HE       ARG  49   4.247   4.564   0.425
  379   HH11  ARG  49          HH21      ARG  49   7.231   4.135   2.096
  380   HH12  ARG  49          HH22      ARG  49   7.675   5.806   2.007
  381   HH21  ARG  49          HH11      ARG  49   4.808   6.750   0.298
  382   HH22  ARG  49          HH12      ARG  49   6.303   7.287   0.989
  383    H    ILE  50           HN       ILE  50   4.047  -1.294  -0.457
  384    HA   ILE  50           HA       ILE  50   1.153  -1.092   0.074
  385    HB   ILE  50           HB       ILE  50   2.898  -3.331   1.042
  386   HG12  ILE  50          HG12      ILE  50   1.945  -2.830  -1.782
  387   HG13  ILE  50          HG11      ILE  50   3.595  -3.080  -1.235
  388   HG21  ILE  50          HG21      ILE  50   0.240  -2.862   1.283
  389   HG22  ILE  50          HG22      ILE  50   0.939  -4.480   1.226
  390   HG23  ILE  50          HG23      ILE  50   0.271  -3.758  -0.232
  391   HD11  ILE  50          HD11      ILE  50   2.846  -5.379  -0.416
  392   HD12  ILE  50          HD12      ILE  50   2.898  -5.173  -2.166
  393   HD13  ILE  50          HD13      ILE  50   1.357  -5.111  -1.320
  394    H    GLU  51           HN       GLU  51   0.304  -1.036   2.110
  395    HA   GLU  51           HA       GLU  51   2.189  -0.793   4.396
  396    HB2  GLU  51           HB2      GLU  51  -0.078   1.155   3.966
  397    HB3  GLU  51           HB1      GLU  51   1.187   1.230   5.193
  398    HG2  GLU  51           HG2      GLU  51   2.885   1.390   3.384
  399    HG3  GLU  51           HG1      GLU  51   1.579   1.434   2.199
  400    H    GLN  52           HN       GLN  52   1.323  -1.365   6.389
  401    HA   GLN  52           HA       GLN  52  -1.062  -3.103   6.188
  402    HB2  GLN  52           HB2      GLN  52   1.116  -2.795   8.260
  403    HB3  GLN  52           HB1      GLN  52  -0.312  -3.793   8.531
  404    HG2  GLN  52           HG2      GLN  52   0.266  -5.311   6.849
  405    HG3  GLN  52           HG1      GLN  52   1.310  -4.151   6.026
  406   HE21  GLN  52          HE21      GLN  52   1.120  -6.320   8.847
  407   HE22  GLN  52          HE22      GLN  52   2.787  -6.328   9.163
  408    H    CYS  53           HN       CYS  53  -2.967  -2.661   7.230
  409    HA   CYS  53           HA       CYS  53  -3.022  -0.429   9.190
  410    HB2  CYS  53           HB2      CYS  53  -4.226  -0.465   6.529
  411    HB3  CYS  53           HB1      CYS  53  -5.405  -0.146   7.801
  412    H    THR  54           HN       THR  54  -4.873  -0.499  10.624
  413    HA   THR  54           HA       THR  54  -5.735  -3.245  11.165
  414    HB   THR  54           HB       THR  54  -7.139  -1.469  12.845
  415    HG1  THR  54           HG1      THR  54  -4.594  -0.565  12.077
  416   HG21  THR  54          HG21      THR  54  -4.499  -2.890  13.292
  417   HG22  THR  54          HG22      THR  54  -6.093  -3.626  13.461
  418   HG23  THR  54          HG23      THR  54  -5.600  -2.331  14.552
  419    H    ARG  55           HN       ARG  55  -8.036  -3.813  11.385
  420    HA   ARG  55           HA       ARG  55  -9.598  -3.259   9.148
  421    HB2  ARG  55           HB2      ARG  55 -10.155  -5.096  10.639
  422    HB3  ARG  55           HB1      ARG  55 -10.521  -3.966  11.945
  423    HG2  ARG  55           HG2      ARG  55 -12.516  -3.287  10.989
  424    HG3  ARG  55           HG1      ARG  55 -11.968  -3.633   9.348
  425    HD2  ARG  55           HD2      ARG  55 -13.730  -5.220  10.453
  426    HD3  ARG  55           HD1      ARG  55 -12.391  -5.927   9.549
  427    HE   ARG  55           HE       ARG  55 -11.391  -5.816  12.104
  428   HH11  ARG  55          HH21      ARG  55 -14.328  -6.936  10.685
  429   HH12  ARG  55          HH22      ARG  55 -14.574  -8.184  11.860
  430   HH21  ARG  55          HH11      ARG  55 -11.698  -7.439  13.646
  431   HH22  ARG  55          HH12      ARG  55 -13.087  -8.469  13.537
  432    H    GLY  56           HN       GLY  56 -10.457  -1.940  12.358
  433    HA2  GLY  56           HA2      GLY  56 -12.056   0.151  11.164
  434    HA3  GLY  56           HA1      GLY  56 -11.621   0.039  12.869
  435    H    SER  57           HN       SER  57  -9.132   0.037  10.376
  436    HA   SER  57           HA       SER  57  -8.031   2.484  11.575
  437    HB2  SER  57           HB2      SER  57  -6.601   0.517  10.871
  438    HB3  SER  57           HB1      SER  57  -6.979   0.925   9.199
  439    HG   SER  57           HG       SER  57  -5.228   2.077  10.928
  440    H    LEU  58           HN       LEU  58  -9.751   1.489   8.722
  441    HA   LEU  58           HA       LEU  58  -9.544   4.258   7.622
  442    HB2  LEU  58           HB2      LEU  58 -10.604   1.984   6.000
  443    HB3  LEU  58           HB1      LEU  58  -9.715   3.412   5.480
  444    HG   LEU  58           HG       LEU  58  -8.541   1.059   6.999
  445   HD11  LEU  58          HD11      LEU  58  -7.369   0.614   4.890
  446   HD12  LEU  58          HD12      LEU  58  -8.153   2.003   4.140
  447   HD13  LEU  58          HD13      LEU  58  -9.113   0.605   4.622
  448   HD21  LEU  58          HD21      LEU  58  -7.011   2.640   7.603
  449   HD22  LEU  58          HD22      LEU  58  -7.602   3.798   6.413
  450   HD23  LEU  58          HD23      LEU  58  -6.473   2.535   5.929
  451    H    PHE  59           HN       PHE  59 -11.642   4.795   6.299
  452    HA   PHE  59           HA       PHE  59 -13.974   4.038   8.019
  453    HB2  PHE  59           HB2      PHE  59 -13.628   6.552   6.371
  454    HB3  PHE  59           HB1      PHE  59 -14.932   6.199   7.508
  455    HD1  PHE  59           HD1      PHE  59 -11.203   6.513   7.325
  456    HD2  PHE  59           HD2      PHE  59 -14.728   6.804   9.764
  457    HE1  PHE  59           HE1      PHE  59  -9.841   7.419   9.188
  458    HE2  PHE  59           HE2      PHE  59 -13.364   7.711  11.626
  459    HZ   PHE  59           HZ       PHE  59 -10.921   8.019  11.338
  460    H    MET  60           HN       MET  60 -15.428   2.763   7.011
  461    HA   MET  60           HA       MET  60 -15.337   2.413   4.106
  462    HB2  MET  60           HB2      MET  60 -17.312   1.258   6.094
  463    HB3  MET  60           HB1      MET  60 -16.988   0.673   4.461
  464    HG2  MET  60           HG2      MET  60 -14.471   0.734   5.654
  465    HG3  MET  60           HG1      MET  60 -15.531   0.146   6.935
  466    HE1  MET  60           HE1      MET  60 -15.205  -0.035   3.091
  467    HE2  MET  60           HE2      MET  60 -14.717  -1.708   2.826
  468    HE3  MET  60           HE3      MET  60 -13.654  -0.617   3.712
  469    H    CYS  61           HN       CYS  61 -16.950   3.034   2.645
  470    HA   CYS  61           HA       CYS  61 -18.503   5.381   3.368
  471    HB2  CYS  61           HB2      CYS  61 -17.586   5.100   1.092
  472    HB3  CYS  61           HB1      CYS  61 -18.598   3.675   0.860
  473    H    SER  62           HN       SER  62 -20.692   5.511   3.810
  474    HA   SER  62           HA       SER  62 -22.088   2.921   4.264
  475    HB2  SER  62           HB2      SER  62 -22.848   5.717   5.158
  476    HB3  SER  62           HB1      SER  62 -23.626   4.218   5.657
  477    HG   SER  62           HG       SER  62 -21.889   5.203   7.043
  478    H    ILE  63           HN       ILE  63 -22.186   5.808   2.299
  479    HA   ILE  63           HA       ILE  63 -24.911   5.284   1.336
  480    HB   ILE  63           HB       ILE  63 -22.809   7.216   0.308
  481   HG12  ILE  63          HG12      ILE  63 -25.148   7.679   2.187
  482   HG13  ILE  63          HG11      ILE  63 -23.462   7.575   2.693
  483   HG21  ILE  63          HG21      ILE  63 -25.374   6.419  -0.699
  484   HG22  ILE  63          HG22      ILE  63 -24.286   7.653  -1.333
  485   HG23  ILE  63          HG23      ILE  63 -25.494   8.079  -0.121
  486   HD11  ILE  63          HD11      ILE  63 -24.859   9.856   1.695
  487   HD12  ILE  63          HD12      ILE  63 -23.617   9.425   0.520
  488   HD13  ILE  63          HD13      ILE  63 -23.173   9.747   2.196
  489    H    VAL  64           HN       VAL  64 -25.433   4.379  -0.662
  490    HA   VAL  64           HA       VAL  64 -25.128   2.906  -2.467
  491    HB   VAL  64           HB       VAL  64 -22.633   4.595  -2.827
  492   HG11  VAL  64          HG11      VAL  64 -22.959   3.970  -5.230
  493   HG12  VAL  64          HG12      VAL  64 -24.242   2.866  -4.731
  494   HG13  VAL  64          HG13      VAL  64 -22.582   2.586  -4.203
  495   HG21  VAL  64          HG21      VAL  64 -24.075   6.284  -3.229
  496   HG22  VAL  64          HG22      VAL  64 -25.459   5.208  -3.038
  497   HG23  VAL  64          HG23      VAL  64 -24.675   5.364  -4.609
  498    H    GLN  65           HN       GLN  65 -24.739   0.968  -1.300
  499    HA   GLN  65           HA       GLN  65 -22.343   0.204  -0.030
  500    HB2  GLN  65           HB2      GLN  65 -24.261  -1.561  -1.587
  501    HB3  GLN  65           HB1      GLN  65 -23.083  -2.124  -0.399
  502    HG2  GLN  65           HG2      GLN  65 -24.359  -1.460   1.362
  503    HG3  GLN  65           HG1      GLN  65 -24.846   0.037   0.565
  504   HE21  GLN  65          HE21      GLN  65 -25.532  -3.485   0.632
  505   HE22  GLN  65          HE22      GLN  65 -27.119  -3.344   0.047
  506    H    GLY  66           HN       GLY  66 -22.884   0.818  -3.330
  507    HA2  GLY  66           HA2      GLY  66 -20.961  -1.048  -4.437
  508    HA3  GLY  66           HA1      GLY  66 -21.614   0.368  -5.261
  509    H    CYS  67           HN       CYS  67 -20.817   2.481  -3.806
  510    HA   CYS  67           HA       CYS  67 -18.007   2.678  -4.392
  511    HB2  CYS  67           HB2      CYS  67 -18.482   4.869  -4.205
  512    HB3  CYS  67           HB1      CYS  67 -20.105   4.450  -3.658
  513    H    LYS  68           HN       LYS  68 -16.235   2.625  -2.988
  514    HA   LYS  68           HA       LYS  68 -16.660   2.215  -0.107
  515    HB2  LYS  68           HB2      LYS  68 -15.249   0.087  -0.189
  516    HB3  LYS  68           HB1      LYS  68 -16.902  -0.067  -0.786
  517    HG2  LYS  68           HG2      LYS  68 -16.237  -0.284  -2.984
  518    HG3  LYS  68           HG1      LYS  68 -14.790   0.698  -2.753
  519    HD2  LYS  68           HD2      LYS  68 -14.305  -1.745  -3.110
  520    HD3  LYS  68           HD1      LYS  68 -13.673  -1.110  -1.590
  521    HE2  LYS  68           HE2      LYS  68 -15.208  -2.263  -0.307
  522    HE3  LYS  68           HE1      LYS  68 -16.434  -2.250  -1.574
  523    HZ1  LYS  68           HZ1      LYS  68 -14.019  -3.957  -1.408
  524    HZ2  LYS  68           HZ2      LYS  68 -14.949  -3.809  -2.822
  525    HZ3  LYS  68           HZ3      LYS  68 -15.641  -4.451  -1.410
  526    H    ARG  69           HN       ARG  69 -15.340   4.210  -1.784
  527    HA   ARG  69           HA       ARG  69 -12.494   3.786  -1.801
  528    HB2  ARG  69           HB2      ARG  69 -14.126   6.342  -1.760
  529    HB3  ARG  69           HB1      ARG  69 -12.385   6.278  -2.037
  530    HG2  ARG  69           HG2      ARG  69 -13.886   4.412  -3.730
  531    HG3  ARG  69           HG1      ARG  69 -14.319   6.099  -4.006
  532    HD2  ARG  69           HD2      ARG  69 -11.948   6.672  -4.319
  533    HD3  ARG  69           HD1      ARG  69 -11.493   4.997  -4.008
  534    HE   ARG  69           HE       ARG  69 -12.562   6.033  -6.504
  535   HH11  ARG  69          HH21      ARG  69 -12.349   3.333  -4.372
  536   HH12  ARG  69          HH22      ARG  69 -12.585   2.157  -5.622
  537   HH21  ARG  69          HH11      ARG  69 -12.871   4.514  -8.149
  538   HH22  ARG  69          HH12      ARG  69 -12.880   2.827  -7.760
  539    H    THR  70           HN       THR  70 -12.409   2.824   0.454
  540    HA   THR  70           HA       THR  70 -12.963   4.162   2.833
  541    HB   THR  70           HB       THR  70 -10.453   3.063   3.316
  542    HG1  THR  70           HG1      THR  70 -11.738   1.882   1.115
  543   HG21  THR  70          HG21      THR  70 -13.196   1.785   3.368
  544   HG22  THR  70          HG22      THR  70 -12.419   2.671   4.680
  545   HG23  THR  70          HG23      THR  70 -11.767   1.117   4.158
  546    H    TYR  71           HN       TYR  71 -11.166   5.139   4.313
  547    HA   TYR  71           HA       TYR  71  -9.092   6.640   2.932
  548    HB2  TYR  71           HB2      TYR  71 -11.690   7.860   3.477
  549    HB3  TYR  71           HB1      TYR  71 -10.363   8.734   4.246
  550    HD1  TYR  71           HD1      TYR  71  -8.191   8.996   2.718
  551    HD2  TYR  71           HD2      TYR  71 -12.174   8.361   1.239
  552    HE1  TYR  71           HE1      TYR  71  -7.524   9.926   0.520
  553    HE2  TYR  71           HE2      TYR  71 -11.507   9.296  -0.957
  554    HH   TYR  71           HH       TYR  71  -8.864   9.456  -2.158
  555    H    LEU  72           HN       LEU  72  -8.361   8.417   4.805
  556    HA   LEU  72           HA       LEU  72  -8.072   6.784   7.283
  557    HB2  LEU  72           HB2      LEU  72  -6.031   8.809   6.994
  558    HB3  LEU  72           HB1      LEU  72  -5.845   7.066   7.160
  559    HG   LEU  72           HG       LEU  72  -6.469   8.504   4.558
  560   HD11  LEU  72          HD11      LEU  72  -3.903   7.179   5.477
  561   HD12  LEU  72          HD12      LEU  72  -4.172   8.921   5.454
  562   HD13  LEU  72          HD13      LEU  72  -4.170   8.009   3.945
  563   HD21  LEU  72          HD21      LEU  72  -6.901   6.455   3.709
  564   HD22  LEU  72          HD22      LEU  72  -6.818   5.799   5.343
  565   HD23  LEU  72          HD23      LEU  72  -5.374   5.839   4.335
  566    H    SER  73           HN       SER  73  -9.468   9.574   6.055
  567    HA   SER  73           HA       SER  73  -9.773  10.642   8.804
  568    HB2  SER  73           HB2      SER  73  -9.221  12.612   6.616
  569    HB3  SER  73           HB1      SER  73  -8.961  12.770   8.351
  570    HG   SER  73           HG       SER  73  -7.505  11.096   6.572
  571    H    GLN  74           HN       GLN  74 -11.904  11.038   9.118
  572    HA   GLN  74           HA       GLN  74 -13.943  10.582   7.292
  573    HB2  GLN  74           HB2      GLN  74 -14.015  11.225   9.847
  574    HB3  GLN  74           HB1      GLN  74 -14.251  12.859   9.226
  575    HG2  GLN  74           HG2      GLN  74 -16.454  12.172   9.308
  576    HG3  GLN  74           HG1      GLN  74 -16.043  11.618   7.686
  577   HE21  GLN  74          HE21      GLN  74 -15.253   9.263   7.558
  578   HE22  GLN  74          HE22      GLN  74 -15.927   8.146   8.644
  579    H    ARG  75           HN       ARG  75 -11.801  13.288   7.465
  580    HA   ARG  75           HA       ARG  75 -13.388  15.166   5.965
  581    HB2  ARG  75           HB2      ARG  75 -11.469  15.864   7.334
  582    HB3  ARG  75           HB1      ARG  75 -10.383  14.939   6.296
  583    HG2  ARG  75           HG2      ARG  75 -12.070  16.721   4.734
  584    HG3  ARG  75           HG1      ARG  75 -11.138  17.609   5.939
  585    HD2  ARG  75           HD2      ARG  75  -9.982  15.613   3.970
  586    HD3  ARG  75           HD1      ARG  75  -9.888  17.366   3.809
  587    HE   ARG  75           HE       ARG  75  -8.232  15.737   5.540
  588   HH11  ARG  75          HH21      ARG  75  -9.831  18.767   5.149
  589   HH12  ARG  75          HH22      ARG  75  -8.731  19.630   6.171
  590   HH21  ARG  75          HH11      ARG  75  -6.787  16.847   6.878
  591   HH22  ARG  75          HH12      ARG  75  -7.008  18.543   7.149
  592    H    ASP  76           HN       ASP  76 -11.064  12.656   5.058
  593    HA   ASP  76           HA       ASP  76 -11.152  13.447   2.238
  594    HB2  ASP  76           HB2      ASP  76 -10.035  10.895   3.427
  595    HB3  ASP  76           HB1      ASP  76  -9.657  11.596   1.856
  596    H    LEU  77           HN       LEU  77 -12.600  11.081   4.375
  597    HA   LEU  77           HA       LEU  77 -13.878   9.549   2.308
  598    HB2  LEU  77           HB2      LEU  77 -13.499   8.757   4.673
  599    HB3  LEU  77           HB1      LEU  77 -14.692   9.941   5.196
  600    HG   LEU  77           HG       LEU  77 -16.230   8.781   3.410
  601   HD11  LEU  77          HD11      LEU  77 -14.513   7.336   2.440
  602   HD12  LEU  77          HD12      LEU  77 -15.726   6.348   3.246
  603   HD13  LEU  77          HD13      LEU  77 -14.174   6.641   4.023
  604   HD21  LEU  77          HD21      LEU  77 -15.512   8.017   6.190
  605   HD22  LEU  77          HD22      LEU  77 -16.565   6.916   5.303
  606   HD23  LEU  77          HD23      LEU  77 -17.044   8.597   5.541
  607    H    GLN  78           HN       GLN  78 -14.653  12.337   4.307
  608    HA   GLN  78           HA       GLN  78 -17.366  12.561   3.360
  609    HB2  GLN  78           HB2      GLN  78 -16.505  13.720   5.433
  610    HB3  GLN  78           HB1      GLN  78 -15.588  14.799   4.383
  611    HG2  GLN  78           HG2      GLN  78 -17.500  16.064   4.622
  612    HG3  GLN  78           HG1      GLN  78 -17.999  15.089   3.242
  613   HE21  GLN  78          HE21      GLN  78 -19.689  13.546   3.558
  614   HE22  GLN  78          HE22      GLN  78 -20.503  13.357   5.036
  615    H    ALA  79           HN       ALA  79 -14.229  13.508   2.286
  616    HA   ALA  79           HA       ALA  79 -15.159  15.263   0.181
  617    HB1  ALA  79           HB1      ALA  79 -12.896  15.308  -0.540
  618    HB2  ALA  79           HB2      ALA  79 -12.562  13.719   0.150
  619    HB3  ALA  79           HB3      ALA  79 -12.779  15.113   1.210
  620    H    HIS  80           HN       HIS  80 -14.953  11.839   0.699
  621    HA   HIS  80           HA       HIS  80 -14.967  11.233  -2.166
  622    HB2  HIS  80           HB2      HIS  80 -14.624   9.093  -1.550
  623    HB3  HIS  80           HB1      HIS  80 -14.370   9.750   0.057
  624    HD1  HIS  80           HD1      HIS  80 -15.670   8.523   1.750
  625    HD2  HIS  80           HD2      HIS  80 -17.702   8.654  -1.875
  626    HE1  HIS  80           HE1      HIS  80 -17.810   7.215   2.085
  627    H    ILE  81           HN       ILE  81 -17.340  11.407   0.422
  628    HA   ILE  81           HA       ILE  81 -19.615  10.523  -0.985
  629    HB   ILE  81           HB       ILE  81 -19.804  12.898   0.856
  630   HG12  ILE  81          HG12      ILE  81 -18.255  11.104   1.800
  631   HG13  ILE  81          HG11      ILE  81 -19.600  11.595   2.805
  632   HG21  ILE  81          HG21      ILE  81 -21.859  11.595   1.595
  633   HG22  ILE  81          HG22      ILE  81 -21.562  10.519   0.232
  634   HG23  ILE  81          HG23      ILE  81 -21.893  12.226  -0.049
  635   HD11  ILE  81          HD11      ILE  81 -19.188   9.067   2.589
  636   HD12  ILE  81          HD12      ILE  81 -19.800   9.226   0.944
  637   HD13  ILE  81          HD13      ILE  81 -20.833   9.632   2.313
  638    H    ASN  82           HN       ASN  82 -18.468  13.878  -0.556
  639    HA   ASN  82           HA       ASN  82 -20.417  14.898  -2.424
  640    HB2  ASN  82           HB2      ASN  82 -18.804  16.923  -2.446
  641    HB3  ASN  82           HB1      ASN  82 -19.606  16.515  -0.931
  642   HD21  ASN  82          HD21      ASN  82 -18.132  16.787   0.730
  643   HD22  ASN  82          HD22      ASN  82 -16.514  16.286   0.691
  644    H    HIS  83           HN       HIS  83 -17.278  13.447  -2.782
  645    HA   HIS  83           HA       HIS  83 -17.025  14.529  -5.501
  646    HB2  HIS  83           HB2      HIS  83 -15.310  12.609  -3.945
  647    HB3  HIS  83           HB1      HIS  83 -14.971  13.077  -5.604
  648    HD1  HIS  83           HD1      HIS  83 -12.747  14.024  -4.137
  649    HD2  HIS  83           HD2      HIS  83 -16.326  16.155  -3.905
  650    HE1  HIS  83           HE1      HIS  83 -12.147  16.348  -3.321
  651    HE2  HIS  83           HE2      HIS  83 -14.318  17.652  -3.177
  652    H    ARG  84           HN       ARG  84 -18.600  11.837  -4.093
  653    HA   ARG  84           HA       ARG  84 -18.492  10.382  -6.685
  654    HB2  ARG  84           HB2      ARG  84 -19.029   9.322  -3.919
  655    HB3  ARG  84           HB1      ARG  84 -19.028   8.349  -5.388
  656    HG2  ARG  84           HG2      ARG  84 -16.652  10.027  -4.542
  657    HG3  ARG  84           HG1      ARG  84 -16.848   8.352  -4.035
  658    HD2  ARG  84           HD2      ARG  84 -17.275   8.427  -6.854
  659    HD3  ARG  84           HD1      ARG  84 -15.823   9.365  -6.517
  660    HE   ARG  84           HE       ARG  84 -14.752   7.375  -5.801
  661   HH11  ARG  84          HH21      ARG  84 -18.156   6.995  -6.205
  662   HH12  ARG  84          HH22      ARG  84 -18.115   5.271  -6.053
  663   HH21  ARG  84          HH11      ARG  84 -14.681   5.124  -5.605
  664   HH22  ARG  84          HH12      ARG  84 -16.150   4.211  -5.714
  665    H    HIS  85           HN       HIS  85 -20.792  11.032  -4.032
  666    HA   HIS  85           HA       HIS  85 -22.938  11.051  -6.090
  667    HB2  HIS  85           HB2      HIS  85 -24.230   9.889  -3.989
  668    HB3  HIS  85           HB1      HIS  85 -23.538   8.990  -5.338
  669    HD1  HIS  85           HD1      HIS  85 -22.485   6.978  -4.280
  670    HD2  HIS  85           HD2      HIS  85 -21.574  10.472  -2.198
  671    HE1  HIS  85           HE1      HIS  85 -20.834   6.326  -2.474
  672    H    MET  86           HN       MET  86 -21.693  12.128  -3.045
  673    HA   MET  86           HA       MET  86 -22.358  13.889  -1.635
  674    HB2  MET  86           HB2      MET  86 -22.161  14.984  -3.982
  675    HB3  MET  86           HB1      MET  86 -23.924  14.952  -3.981
  676    HG2  MET  86           HG2      MET  86 -23.432  15.970  -1.497
  677    HG3  MET  86           HG1      MET  86 -22.071  16.630  -2.403
  678    HE1  MET  86           HE1      MET  86 -22.546  17.526  -4.992
  679    HE2  MET  86           HE2      MET  86 -22.118  18.622  -3.681
  680    HE3  MET  86           HE3      MET  86 -23.387  19.073  -4.818
  681    H    ARG  87           HN       ARG  87 -24.009  11.535  -1.606
  682    HA   ARG  87           HA       ARG  87 -26.783  12.527  -1.523
  683    HB2  ARG  87           HB2      ARG  87 -25.458   9.903  -1.603
  684    HB3  ARG  87           HB1      ARG  87 -26.836   9.967  -0.502
  685    HG2  ARG  87           HG2      ARG  87 -28.257  10.852  -2.297
  686    HG3  ARG  87           HG1      ARG  87 -26.884  10.844  -3.405
  687    HD2  ARG  87           HD2      ARG  87 -28.461   8.836  -3.562
  688    HD3  ARG  87           HD1      ARG  87 -26.747   8.462  -3.376
  689    HE   ARG  87           HE       ARG  87 -27.226   7.573  -1.237
  690   HH11  ARG  87          HH21      ARG  87 -29.810   9.489  -2.479
  691   HH12  ARG  87          HH22      ARG  87 -30.915   9.054  -1.219
  692   HH21  ARG  87          HH11      ARG  87 -28.656   6.995   0.416
  693   HH22  ARG  87          HH12      ARG  87 -30.262   7.642   0.420
  694    H    ALA  88           HN       ALA  88 -24.202  12.712   0.505
  695    HA   ALA  88           HA       ALA  88 -24.971  11.822   3.026
  696    HB1  ALA  88           HB1      ALA  88 -23.051  12.932   3.443
  697    HB2  ALA  88           HB2      ALA  88 -24.000  14.416   3.484
  698    HB3  ALA  88           HB3      ALA  88 -23.233  13.902   1.982
  699    H    GLY  89           HN       GLY  89 -26.235  12.745   4.734
  700    HA2  GLY  89           HA2      GLY  89 -27.982  14.023   5.666
  701    HA3  GLY  89           HA1      GLY  89 -27.794  15.160   4.328
  Start of MODEL    3
    1    H1   VAL   1           HT1      VAL   1 -16.149  -6.605   2.218
    2    H2   VAL   1           HT2      VAL   1 -14.840  -5.708   1.608
    3    H3   VAL   1           HT3      VAL   1 -16.318  -4.939   1.944
    4    HA   VAL   1           HA       VAL   1 -14.377  -4.714   3.612
    5    HB   VAL   1           HB       VAL   1 -15.999  -4.544   5.431
    6   HG11  VAL   1          HG11      VAL   1 -16.058  -3.042   3.271
    7   HG12  VAL   1          HG12      VAL   1 -17.355  -2.914   4.458
    8   HG13  VAL   1          HG13      VAL   1 -17.597  -3.852   2.985
    9   HG21  VAL   1          HG21      VAL   1 -18.433  -5.332   4.579
   10   HG22  VAL   1          HG22      VAL   1 -17.359  -6.399   5.484
   11   HG23  VAL   1          HG23      VAL   1 -17.442  -6.517   3.727
   12    H    HIS   2           HN       HIS   2 -13.101  -5.860   4.980
   13    HA   HIS   2           HA       HIS   2 -12.157  -7.642   6.143
   14    HB2  HIS   2           HB2      HIS   2 -14.395  -7.674   7.281
   15    HB3  HIS   2           HB1      HIS   2 -14.925  -8.866   6.097
   16    HD1  HIS   2           HD1      HIS   2 -12.691  -8.448   9.072
   17    HD2  HIS   2           HD2      HIS   2 -13.713 -11.431   6.340
   18    HE1  HIS   2           HE1      HIS   2 -11.780 -10.621  10.009
   19    HE2  HIS   2           HE2      HIS   2 -12.397 -12.443   8.355
   20    H    PHE   3           HN       PHE   3 -14.567  -9.001   3.909
   21    HA   PHE   3           HA       PHE   3 -12.843 -11.218   3.184
   22    HB2  PHE   3           HB2      PHE   3 -15.237 -10.209   1.633
   23    HB3  PHE   3           HB1      PHE   3 -14.574 -11.844   1.651
   24    HD1  PHE   3           HD1      PHE   3 -14.533 -13.076   3.937
   25    HD2  PHE   3           HD2      PHE   3 -16.948  -9.616   3.129
   26    HE1  PHE   3           HE1      PHE   3 -16.000 -13.652   5.853
   27    HE2  PHE   3           HE2      PHE   3 -18.413 -10.191   5.046
   28    HZ   PHE   3           HZ       PHE   3 -17.940 -12.209   6.407
   29    H    CYS   4           HN       CYS   4 -10.973 -10.728   2.102
   30    HA   CYS   4           HA       CYS   4 -10.354  -8.477   0.611
   31    HB2  CYS   4           HB2      CYS   4  -8.911 -10.582   1.181
   32    HB3  CYS   4           HB1      CYS   4  -9.455 -11.159  -0.394
   33    H    ASP   5           HN       ASP   5 -10.563  -7.855  -1.559
   34    HA   ASP   5           HA       ASP   5 -12.935  -8.888  -2.901
   35    HB2  ASP   5           HB2      ASP   5 -11.136  -6.567  -3.165
   36    HB3  ASP   5           HB1      ASP   5 -11.784  -7.166  -4.692
   37    H    LYS   6           HN       LYS   6  -9.461  -9.346  -3.188
   38    HA   LYS   6           HA       LYS   6  -9.859 -10.708  -5.798
   39    HB2  LYS   6           HB2      LYS   6  -7.850  -9.036  -4.925
   40    HB3  LYS   6           HB1      LYS   6  -7.131 -10.630  -4.719
   41    HG2  LYS   6           HG2      LYS   6  -8.449  -9.670  -7.283
   42    HG3  LYS   6           HG1      LYS   6  -6.716  -9.637  -6.989
   43    HD2  LYS   6           HD2      LYS   6  -8.417 -12.150  -6.894
   44    HD3  LYS   6           HD1      LYS   6  -7.441 -11.656  -8.273
   45    HE2  LYS   6           HE2      LYS   6  -5.533 -11.533  -6.402
   46    HE3  LYS   6           HE1      LYS   6  -6.577 -12.718  -5.619
   47    HZ1  LYS   6           HZ1      LYS   6  -6.574 -13.902  -7.833
   48    HZ2  LYS   6           HZ2      LYS   6  -5.121 -13.945  -6.955
   49    HZ3  LYS   6           HZ3      LYS   6  -5.288 -12.889  -8.275
   50    H    CYS   7           HN       CYS   7  -8.378 -11.335  -2.616
   51    HA   CYS   7           HA       CYS   7  -8.034 -14.161  -3.234
   52    HB2  CYS   7           HB2      CYS   7  -7.948 -12.930  -0.477
   53    HB3  CYS   7           HB1      CYS   7  -7.114 -14.372  -1.051
   54    H    GLY   8           HN       GLY   8 -10.635 -12.239  -2.107
   55    HA2  GLY   8           HA2      GLY   8 -12.774 -12.820  -1.332
   56    HA3  GLY   8           HA1      GLY   8 -12.488 -14.386  -2.091
   57    H    LEU   9           HN       LEU   9 -10.110 -13.569   0.195
   58    HA   LEU   9           HA       LEU   9 -11.315 -15.475   2.152
   59    HB2  LEU   9           HB2      LEU   9  -8.567 -14.848   1.251
   60    HB3  LEU   9           HB1      LEU   9  -8.732 -15.053   2.991
   61    HG   LEU   9           HG       LEU   9  -9.889 -17.243   2.569
   62   HD11  LEU   9          HD11      LEU   9  -8.954 -16.796  -0.281
   63   HD12  LEU   9          HD12      LEU   9 -10.632 -16.660   0.244
   64   HD13  LEU   9          HD13      LEU   9  -9.801 -18.213   0.337
   65   HD21  LEU   9          HD21      LEU   9  -7.816 -18.438   1.858
   66   HD22  LEU   9          HD22      LEU   9  -7.501 -17.208   3.082
   67   HD23  LEU   9          HD23      LEU   9  -7.115 -16.888   1.391
   68    HA   PRO  10           HA       PRO  10 -11.921 -12.226   5.057
   69    HB2  PRO  10           HB2      PRO  10 -11.097 -13.360   7.421
   70    HB3  PRO  10           HB1      PRO  10 -12.667 -13.653   6.651
   71    HG2  PRO  10           HG2      PRO  10 -10.231 -15.347   6.683
   72    HG3  PRO  10           HG1      PRO  10 -11.938 -15.818   6.677
   73    HD2  PRO  10           HD2      PRO  10 -10.332 -15.930   4.450
   74    HD3  PRO  10           HD1      PRO  10 -12.094 -15.722   4.377
   75    H    ILE  11           HN       ILE  11 -10.522 -10.615   4.632
   76    HA   ILE  11           HA       ILE  11  -7.739 -10.533   4.737
   77    HB   ILE  11           HB       ILE  11  -9.740  -8.369   5.432
   78   HG12  ILE  11          HG12      ILE  11  -8.178  -8.712   2.871
   79   HG13  ILE  11          HG11      ILE  11  -9.721  -9.526   3.110
   80   HG21  ILE  11          HG21      ILE  11  -7.512  -7.127   4.414
   81   HG22  ILE  11          HG22      ILE  11  -6.810  -8.422   5.385
   82   HG23  ILE  11          HG23      ILE  11  -7.898  -7.260   6.130
   83   HD11  ILE  11          HD11      ILE  11  -9.440  -6.970   2.139
   84   HD12  ILE  11          HD12      ILE  11  -9.752  -6.674   3.848
   85   HD13  ILE  11          HD13      ILE  11 -10.906  -7.602   2.888
   86    H    LYS  12           HN       LYS  12  -6.414 -11.048   6.389
   87    HA   LYS  12           HA       LYS  12  -7.332 -10.896   9.173
   88    HB2  LYS  12           HB2      LYS  12  -5.841 -12.735   8.413
   89    HB3  LYS  12           HB1      LYS  12  -4.589 -11.549   8.041
   90    HG2  LYS  12           HG2      LYS  12  -3.947 -11.443  10.198
   91    HG3  LYS  12           HG1      LYS  12  -5.605 -11.176  10.736
   92    HD2  LYS  12           HD2      LYS  12  -4.527 -13.901   9.970
   93    HD3  LYS  12           HD1      LYS  12  -4.538 -13.293  11.626
   94    HE2  LYS  12           HE2      LYS  12  -7.129 -12.922  10.366
   95    HE3  LYS  12           HE1      LYS  12  -6.638 -14.616  10.321
   96    HZ1  LYS  12           HZ1      LYS  12  -6.005 -14.200  12.768
   97    HZ2  LYS  12           HZ2      LYS  12  -7.640 -14.435  12.371
   98    HZ3  LYS  12           HZ3      LYS  12  -7.047 -12.867  12.654
   99    H    VAL  13           HN       VAL  13  -5.305  -9.092   6.954
  100    HA   VAL  13           HA       VAL  13  -5.191  -6.878   8.920
  101    HB   VAL  13           HB       VAL  13  -2.777  -7.418   7.275
  102   HG11  VAL  13          HG11      VAL  13  -3.058  -5.375   8.693
  103   HG12  VAL  13          HG12      VAL  13  -1.660  -6.345   9.154
  104   HG13  VAL  13          HG13      VAL  13  -3.139  -6.421  10.111
  105   HG21  VAL  13          HG21      VAL  13  -1.872  -8.830   9.167
  106   HG22  VAL  13          HG22      VAL  13  -3.142  -9.609   8.225
  107   HG23  VAL  13          HG23      VAL  13  -3.516  -8.913   9.802
  108    H    TYR  14           HN       TYR  14  -5.225  -4.848   7.880
  109    HA   TYR  14           HA       TYR  14  -6.331  -4.861   5.209
  110    HB2  TYR  14           HB2      TYR  14  -5.621  -2.761   7.204
  111    HB3  TYR  14           HB1      TYR  14  -5.945  -2.290   5.540
  112    HD1  TYR  14           HD1      TYR  14  -7.616  -5.214   7.111
  113    HD2  TYR  14           HD2      TYR  14  -7.963  -1.063   6.073
  114    HE1  TYR  14           HE1      TYR  14 -10.046  -5.316   7.528
  115    HE2  TYR  14           HE2      TYR  14 -10.403  -1.165   6.497
  116    HH   TYR  14           HH       TYR  14 -12.060  -4.152   6.956
  117    H    GLY  15           HN       GLY  15  -4.925  -5.450   3.622
  118    HA2  GLY  15           HA2      GLY  15  -2.192  -4.434   3.501
  119    HA3  GLY  15           HA1      GLY  15  -3.002  -5.392   2.253
  120    H    ARG  16           HN       ARG  16  -2.649  -2.170   3.576
  121    HA   ARG  16           HA       ARG  16  -4.417  -0.874   1.700
  122    HB2  ARG  16           HB2      ARG  16  -3.506  -0.021   3.969
  123    HB3  ARG  16           HB1      ARG  16  -2.073   0.445   3.059
  124    HG2  ARG  16           HG2      ARG  16  -3.152   2.361   2.582
  125    HG3  ARG  16           HG1      ARG  16  -4.177   1.408   1.509
  126    HD2  ARG  16           HD2      ARG  16  -5.624   0.892   3.534
  127    HD3  ARG  16           HD1      ARG  16  -4.685   2.095   4.411
  128    HE   ARG  16           HE       ARG  16  -5.704   3.808   3.104
  129   HH11  ARG  16          HH21      ARG  16  -6.499   0.625   2.019
  130   HH12  ARG  16          HH22      ARG  16  -7.848   1.151   1.069
  131   HH21  ARG  16          HH11      ARG  16  -7.460   4.497   1.875
  132   HH22  ARG  16          HH12      ARG  16  -8.390   3.337   0.986
  133    H    MET  17           HN       MET  17  -3.954   0.097  -0.273
  134    HA   MET  17           HA       MET  17  -1.147  -0.118  -1.267
  135    HB2  MET  17           HB2      MET  17  -3.487  -0.416  -3.128
  136    HB3  MET  17           HB1      MET  17  -1.830  -0.971  -3.338
  137    HG2  MET  17           HG2      MET  17  -2.308  -2.533  -1.339
  138    HG3  MET  17           HG1      MET  17  -4.003  -2.154  -1.624
  139    HE1  MET  17           HE1      MET  17  -0.713  -2.987  -3.273
  140    HE2  MET  17           HE2      MET  17  -1.050  -4.338  -4.350
  141    HE3  MET  17           HE3      MET  17  -1.132  -4.569  -2.608
  142    H    ILE  18           HN       ILE  18  -0.392   1.728  -2.179
  143    HA   ILE  18           HA       ILE  18  -2.348   3.891  -2.809
  144    HB   ILE  18           HB       ILE  18  -0.016   5.241  -2.468
  145   HG12  ILE  18          HG12      ILE  18   0.069   2.977  -0.467
  146   HG13  ILE  18          HG11      ILE  18   1.148   3.161  -1.852
  147   HG21  ILE  18          HG21      ILE  18  -1.888   4.397  -0.226
  148   HG22  ILE  18          HG22      ILE  18  -2.204   5.709  -1.359
  149   HG23  ILE  18          HG23      ILE  18  -0.861   5.829  -0.226
  150   HD11  ILE  18          HD11      ILE  18   1.102   5.642  -0.446
  151   HD12  ILE  18          HD12      ILE  18   2.460   4.537  -0.658
  152   HD13  ILE  18          HD13      ILE  18   1.385   4.358   0.729
  153    HA   PRO  19           HA       PRO  19  -1.867   6.017  -3.650
  154    HB2  PRO  19           HB2      PRO  19  -2.674   7.293  -5.893
  155    HB3  PRO  19           HB1      PRO  19  -1.012   7.420  -5.286
  156    HG2  PRO  19           HG2      PRO  19  -2.088   5.808  -7.535
  157    HG3  PRO  19           HG1      PRO  19  -0.536   6.647  -7.384
  158    HD2  PRO  19           HD2      PRO  19  -0.906   3.910  -7.003
  159    HD3  PRO  19           HD1      PRO  19   0.473   4.844  -6.391
  160    H    CYS  20           HN       CYS  20  -2.927   3.336  -5.244
  161    HA   CYS  20           HA       CYS  20  -5.572   3.881  -6.062
  162    HB2  CYS  20           HB2      CYS  20  -4.055   1.637  -5.939
  163    HB3  CYS  20           HB1      CYS  20  -5.129   1.352  -4.571
  164    H    LYS  21           HN       LYS  21  -4.245   3.296  -2.847
  165    HA   LYS  21           HA       LYS  21  -5.132   3.773  -0.738
  166    HB2  LYS  21           HB2      LYS  21  -6.320   5.675  -2.429
  167    HB3  LYS  21           HB1      LYS  21  -7.673   4.943  -1.569
  168    HG2  LYS  21           HG2      LYS  21  -6.341   5.292   0.572
  169    HG3  LYS  21           HG1      LYS  21  -5.229   6.274  -0.383
  170    HD2  LYS  21           HD2      LYS  21  -7.548   7.399  -1.153
  171    HD3  LYS  21           HD1      LYS  21  -8.027   6.850   0.454
  172    HE2  LYS  21           HE2      LYS  21  -5.668   8.630  -0.223
  173    HE3  LYS  21           HE1      LYS  21  -7.130   9.101   0.643
  174    HZ1  LYS  21           HZ1      LYS  21  -6.236   6.954   2.034
  175    HZ2  LYS  21           HZ2      LYS  21  -5.995   8.579   2.467
  176    HZ3  LYS  21           HZ3      LYS  21  -4.796   7.739   1.606
  177    H    HIS  22           HN       HIS  22  -5.719   1.391  -2.369
  178    HA   HIS  22           HA       HIS  22  -8.443   0.669  -1.426
  179    HB2  HIS  22           HB2      HIS  22  -6.621  -0.334  -3.559
  180    HB3  HIS  22           HB1      HIS  22  -7.732  -1.492  -2.824
  181    HD2  HIS  22           HD2      HIS  22 -10.513  -0.072  -2.668
  182    HE1  HIS  22           HE1      HIS  22  -9.841   1.535  -6.514
  183    HE2  HIS  22           HE2      HIS  22 -11.602   1.060  -4.751
  184    H    VAL  23           HN       VAL  23  -8.349  -1.984  -0.945
  185    HA   VAL  23           HA       VAL  23  -6.061  -2.469   0.888
  186    HB   VAL  23           HB       VAL  23  -8.373  -3.474   2.178
  187   HG11  VAL  23          HG11      VAL  23  -7.613  -1.890   3.944
  188   HG12  VAL  23          HG12      VAL  23  -6.481  -1.192   2.796
  189   HG13  VAL  23          HG13      VAL  23  -6.307  -2.875   3.298
  190   HG21  VAL  23          HG21      VAL  23  -9.597  -1.374   2.608
  191   HG22  VAL  23          HG22      VAL  23  -9.655  -1.802   0.899
  192   HG23  VAL  23          HG23      VAL  23  -8.562  -0.535   1.454
  193    H    PHE  24           HN       PHE  24  -5.785  -4.680   1.484
  194    HA   PHE  24           HA       PHE  24  -7.478  -6.785   0.380
  195    HB2  PHE  24           HB2      PHE  24  -4.684  -6.510  -0.772
  196    HB3  PHE  24           HB1      PHE  24  -5.869  -7.754  -1.164
  197    HD1  PHE  24           HD2      PHE  24  -7.873  -7.212  -2.494
  198    HD2  PHE  24           HD1      PHE  24  -4.858  -4.290  -1.649
  199    HE1  PHE  24           HE2      PHE  24  -8.799  -5.750  -4.264
  200    HE2  PHE  24           HE1      PHE  24  -5.772  -2.817  -3.421
  201    HZ   PHE  24           HZ       PHE  24  -7.746  -3.554  -4.741
  202    H    CYS  25           HN       CYS  25  -6.380  -8.989   0.878
  203    HA   CYS  25           HA       CYS  25  -5.472  -8.980   3.573
  204    HB2  CYS  25           HB2      CYS  25  -4.295 -11.236   2.279
  205    HB3  CYS  25           HB1      CYS  25  -5.730 -11.202   3.300
  206    H    TYR  26           HN       TYR  26  -3.658  -7.970   4.263
  207    HA   TYR  26           HA       TYR  26  -1.536  -7.059   2.688
  208    HB2  TYR  26           HB2      TYR  26  -1.889  -6.403   5.050
  209    HB3  TYR  26           HB1      TYR  26  -1.368  -8.010   5.551
  210    HD1  TYR  26           HD1      TYR  26  -0.104  -5.335   3.194
  211    HD2  TYR  26           HD2      TYR  26   0.807  -8.125   6.336
  212    HE1  TYR  26           HE1      TYR  26   2.258  -4.604   3.161
  213    HE2  TYR  26           HE2      TYR  26   3.172  -7.391   6.297
  214    HH   TYR  26           HH       TYR  26   4.308  -4.904   5.416
  215    H    ASP  27           HN       ASP  27  -2.029 -10.279   3.987
  216    HA   ASP  27           HA       ASP  27   0.646 -11.208   3.451
  217    HB2  ASP  27           HB2      ASP  27  -1.647 -12.297   4.623
  218    HB3  ASP  27           HB1      ASP  27  -1.420 -13.255   3.159
  219    H    CYS  28           HN       CYS  28  -2.358 -11.122   1.606
  220    HA   CYS  28           HA       CYS  28  -1.091 -12.376  -0.712
  221    HB2  CYS  28           HB2      CYS  28  -3.224 -12.680  -1.393
  222    HB3  CYS  28           HB1      CYS  28  -3.752 -11.923   0.109
  223    H    ALA  29           HN       ALA  29  -1.560  -9.191   0.573
  224    HA   ALA  29           HA       ALA  29  -1.186  -7.804  -1.930
  225    HB1  ALA  29           HB1      ALA  29  -0.389  -6.592   0.704
  226    HB2  ALA  29           HB2      ALA  29  -2.092  -6.955   0.422
  227    HB3  ALA  29           HB3      ALA  29  -1.239  -5.845  -0.648
  228    H    ILE  30           HN       ILE  30   0.975  -9.033   0.588
  229    HA   ILE  30           HA       ILE  30   3.306  -7.892  -0.778
  230    HB   ILE  30           HB       ILE  30   4.588  -8.857   1.023
  231   HG12  ILE  30          HG12      ILE  30   2.008 -10.251   1.805
  232   HG13  ILE  30          HG11      ILE  30   3.459 -11.045   1.202
  233   HG21  ILE  30          HG21      ILE  30   2.388  -8.067   2.717
  234   HG22  ILE  30          HG22      ILE  30   2.482  -7.036   1.291
  235   HG23  ILE  30          HG23      ILE  30   3.879  -7.202   2.353
  236   HD11  ILE  30          HD11      ILE  30   4.609  -9.778   3.217
  237   HD12  ILE  30          HD12      ILE  30   3.762 -11.302   3.485
  238   HD13  ILE  30          HD13      ILE  30   2.970  -9.773   3.868
  239    H    LEU  31           HN       LEU  31   1.692 -11.024  -0.397
  240    HA   LEU  31           HA       LEU  31   3.837 -12.459  -1.741
  241    HB2  LEU  31           HB2      LEU  31   1.029 -13.128  -0.942
  242    HB3  LEU  31           HB1      LEU  31   1.863 -14.172  -2.086
  243    HG   LEU  31           HG       LEU  31   3.272 -13.340   0.426
  244   HD11  LEU  31          HD11      LEU  31   2.281 -15.646   1.279
  245   HD12  LEU  31          HD12      LEU  31   0.956 -15.228   0.193
  246   HD13  LEU  31          HD13      LEU  31   1.386 -14.144   1.515
  247   HD21  LEU  31          HD21      LEU  31   3.309 -16.081  -0.769
  248   HD22  LEU  31          HD22      LEU  31   4.622 -15.159  -0.037
  249   HD23  LEU  31          HD23      LEU  31   4.090 -14.786  -1.676
  250    H    HIS  32           HN       HIS  32   1.109 -10.538  -2.746
  251    HA   HIS  32           HA       HIS  32   1.099 -11.605  -5.471
  252    HB2  HIS  32           HB2      HIS  32  -0.169  -9.178  -4.185
  253    HB3  HIS  32           HB1      HIS  32  -0.303  -9.512  -5.911
  254    HD1  HIS  32           HD1      HIS  32  -2.957  -9.623  -4.872
  255    HD2  HIS  32           HD2      HIS  32  -0.427 -12.882  -4.254
  256    HE1  HIS  32           HE1      HIS  32  -4.448 -11.599  -4.328
  257    HE2  HIS  32           HE2      HIS  32  -2.919 -13.587  -3.959
  258    H    GLU  33           HN       GLU  33   2.074  -8.497  -4.000
  259    HA   GLU  33           HA       GLU  33   3.352  -7.461  -6.312
  260    HB2  GLU  33           HB2      GLU  33   3.973  -5.735  -4.957
  261    HB3  GLU  33           HB1      GLU  33   2.883  -6.511  -3.813
  262    HG2  GLU  33           HG2      GLU  33   4.883  -7.829  -2.963
  263    HG3  GLU  33           HG1      GLU  33   5.901  -6.772  -3.947
  264    H    LYS  34           HN       LYS  34   4.491  -9.766  -3.888
  265    HA   LYS  34           HA       LYS  34   7.234  -9.708  -4.910
  266    HB2  LYS  34           HB2      LYS  34   5.761 -11.419  -2.912
  267    HB3  LYS  34           HB1      LYS  34   7.382 -11.849  -3.456
  268    HG2  LYS  34           HG2      LYS  34   8.349  -9.934  -2.522
  269    HG3  LYS  34           HG1      LYS  34   6.820  -9.056  -2.494
  270    HD2  LYS  34           HD2      LYS  34   6.143 -10.020  -0.527
  271    HD3  LYS  34           HD1      LYS  34   6.938 -11.553  -0.885
  272    HE2  LYS  34           HE2      LYS  34   8.362  -9.000  -0.077
  273    HE3  LYS  34           HE1      LYS  34   8.045 -10.368   0.990
  274    HZ1  LYS  34           HZ1      LYS  34   9.244 -11.299  -1.375
  275    HZ2  LYS  34           HZ2      LYS  34   9.838 -11.374   0.215
  276    HZ3  LYS  34           HZ3      LYS  34  10.182 -10.027  -0.762
  277    H    LYS  35           HN       LYS  35   4.296 -11.500  -5.530
  278    HA   LYS  35           HA       LYS  35   5.647 -13.653  -6.943
  279    HB2  LYS  35           HB2      LYS  35   2.798 -12.864  -6.486
  280    HB3  LYS  35           HB1      LYS  35   3.168 -13.995  -7.787
  281    HG2  LYS  35           HG2      LYS  35   4.163 -15.557  -6.284
  282    HG3  LYS  35           HG1      LYS  35   4.206 -14.379  -4.973
  283    HD2  LYS  35           HD2      LYS  35   2.009 -14.699  -4.438
  284    HD3  LYS  35           HD1      LYS  35   1.526 -14.899  -6.122
  285    HE2  LYS  35           HE2      LYS  35   2.437 -17.172  -6.144
  286    HE3  LYS  35           HE1      LYS  35   3.010 -16.978  -4.488
  287    HZ1  LYS  35           HZ1      LYS  35   0.320 -17.436  -5.480
  288    HZ2  LYS  35           HZ2      LYS  35   0.453 -16.327  -4.199
  289    HZ3  LYS  35           HZ3      LYS  35   1.034 -17.913  -4.017
  290    H    GLY  36           HN       GLY  36   5.044 -10.463  -7.731
  291    HA2  GLY  36           HA2      GLY  36   5.878  -9.629  -9.895
  292    HA3  GLY  36           HA1      GLY  36   5.249 -11.093 -10.650
  293    H    ASP  37           HN       ASP  37   3.515  -9.245  -8.227
  294    HA   ASP  37           HA       ASP  37   1.659  -8.227 -10.320
  295    HB2  ASP  37           HB2      ASP  37   0.999  -9.813  -7.847
  296    HB3  ASP  37           HB1      ASP  37  -0.168  -8.673  -8.514
  297    H    LYS  38           HN       LYS  38   3.489  -6.567  -9.507
  298    HA   LYS  38           HA       LYS  38   2.944  -5.153  -7.048
  299    HB2  LYS  38           HB2      LYS  38   4.335  -3.330  -8.392
  300    HB3  LYS  38           HB1      LYS  38   5.121  -4.779  -7.771
  301    HG2  LYS  38           HG2      LYS  38   5.148  -5.825  -9.877
  302    HG3  LYS  38           HG1      LYS  38   3.894  -4.763 -10.520
  303    HD2  LYS  38           HD2      LYS  38   6.457  -3.523  -9.598
  304    HD3  LYS  38           HD1      LYS  38   6.451  -4.381 -11.140
  305    HE2  LYS  38           HE2      LYS  38   4.974  -2.889 -12.123
  306    HE3  LYS  38           HE1      LYS  38   4.241  -2.439 -10.583
  307    HZ1  LYS  38           HZ1      LYS  38   5.575  -0.634 -11.344
  308    HZ2  LYS  38           HZ2      LYS  38   6.919  -1.646 -11.587
  309    HZ3  LYS  38           HZ3      LYS  38   6.362  -1.332 -10.013
  310    H    MET  39           HN       MET  39   0.651  -5.586  -8.755
  311    HA   MET  39           HA       MET  39  -0.182  -2.757  -9.126
  312    HB2  MET  39           HB2      MET  39  -0.616  -5.084 -10.994
  313    HB3  MET  39           HB1      MET  39  -1.615  -3.631 -11.051
  314    HG2  MET  39           HG2      MET  39   0.054  -2.346 -11.907
  315    HG3  MET  39           HG1      MET  39   1.293  -3.133 -10.931
  316    HE1  MET  39           HE1      MET  39   1.099  -6.564 -12.230
  317    HE2  MET  39           HE2      MET  39   1.701  -5.427 -11.026
  318    HE3  MET  39           HE3      MET  39   2.690  -5.819 -12.430
  319    H    CYS  40           HN       CYS  40  -2.171  -2.281  -8.257
  320    HA   CYS  40           HA       CYS  40  -3.341  -3.616  -6.198
  321    HB2  CYS  40           HB2      CYS  40  -4.169  -1.560  -8.007
  322    HB3  CYS  40           HB1      CYS  40  -5.536  -2.628  -7.699
  323    HA   PRO  41           HA       PRO  41  -4.352  -7.525  -8.414
  324    HB2  PRO  41           HB2      PRO  41  -5.505  -8.092  -5.719
  325    HB3  PRO  41           HB1      PRO  41  -4.453  -9.099  -6.731
  326    HG2  PRO  41           HG2      PRO  41  -3.527  -7.819  -4.587
  327    HG3  PRO  41           HG1      PRO  41  -2.547  -8.034  -6.048
  328    HD2  PRO  41           HD2      PRO  41  -3.877  -5.573  -5.020
  329    HD3  PRO  41           HD1      PRO  41  -2.399  -5.740  -5.992
  330    H    GLY  42           HN       GLY  42  -6.423  -5.289  -6.728
  331    HA2  GLY  42           HA2      GLY  42  -8.855  -6.598  -7.864
  332    HA3  GLY  42           HA1      GLY  42  -8.858  -5.407  -6.570
  333    H    CYS  43           HN       CYS  43  -7.082  -3.510  -7.852
  334    HA   CYS  43           HA       CYS  43  -8.978  -2.475  -9.900
  335    HB2  CYS  43           HB2      CYS  43  -6.815  -0.864  -8.568
  336    HB3  CYS  43           HB1      CYS  43  -8.324  -0.302  -9.289
  337    H    SER  44           HN       SER  44  -5.602  -3.280  -9.354
  338    HA   SER  44           HA       SER  44  -3.928  -3.713 -10.938
  339    HB2  SER  44           HB2      SER  44  -6.120  -4.266 -12.377
  340    HB3  SER  44           HB1      SER  44  -5.614  -2.819 -13.240
  341    HG   SER  44           HG       SER  44  -4.659  -5.236 -13.498
  342    H    ASP  45           HN       ASP  45  -3.473  -1.560  -9.660
  343    HA   ASP  45           HA       ASP  45  -2.913   0.560 -11.677
  344    HB2  ASP  45           HB2      ASP  45  -4.459   0.731  -9.203
  345    HB3  ASP  45           HB1      ASP  45  -3.124   1.883  -9.235
  346    HA   PRO  46           HA       PRO  46   1.293   0.476 -10.425
  347    HB2  PRO  46           HB2      PRO  46   1.719   3.181  -9.757
  348    HB3  PRO  46           HB1      PRO  46   1.913   2.452 -11.358
  349    HG2  PRO  46           HG2      PRO  46  -0.336   4.028 -10.260
  350    HG3  PRO  46           HG1      PRO  46   0.269   3.917 -11.921
  351    HD2  PRO  46           HD2      PRO  46  -2.022   2.692 -11.142
  352    HD3  PRO  46           HD1      PRO  46  -0.957   1.997 -12.384
  353    H    VAL  47           HN       VAL  47   0.982  -0.745  -8.450
  354    HA   VAL  47           HA       VAL  47   0.218   0.385  -5.940
  355    HB   VAL  47           HB       VAL  47   2.049  -1.949  -6.554
  356   HG11  VAL  47          HG11      VAL  47   1.391  -2.673  -4.250
  357   HG12  VAL  47          HG12      VAL  47   0.664  -1.084  -4.006
  358   HG13  VAL  47          HG13      VAL  47   2.403  -1.229  -4.270
  359   HG21  VAL  47          HG21      VAL  47  -0.612  -1.641  -7.147
  360   HG22  VAL  47          HG22      VAL  47  -0.691  -2.356  -5.539
  361   HG23  VAL  47          HG23      VAL  47   0.161  -3.195  -6.832
  362    H    GLN  48           HN       GLN  48   1.312   2.372  -5.587
  363    HA   GLN  48           HA       GLN  48   4.104   2.787  -5.966
  364    HB2  GLN  48           HB2      GLN  48   2.703   4.718  -5.712
  365    HB3  GLN  48           HB1      GLN  48   2.090   4.144  -4.160
  366    HG2  GLN  48           HG2      GLN  48   3.963   4.810  -3.023
  367    HG3  GLN  48           HG1      GLN  48   5.038   4.444  -4.372
  368   HE21  GLN  48          HE21      GLN  48   2.962   6.935  -2.966
  369   HE22  GLN  48          HE22      GLN  48   3.452   8.184  -4.006
  370    H    ARG  49           HN       ARG  49   2.360   2.382  -2.876
  371    HA   ARG  49           HA       ARG  49   4.505   0.581  -1.983
  372    HB2  ARG  49           HB2      ARG  49   5.618   2.154  -0.817
  373    HB3  ARG  49           HB1      ARG  49   4.412   3.366  -1.233
  374    HG2  ARG  49           HG2      ARG  49   3.022   2.685   0.668
  375    HG3  ARG  49           HG1      ARG  49   4.161   1.389   1.060
  376    HD2  ARG  49           HD2      ARG  49   5.427   4.026   0.801
  377    HD3  ARG  49           HD1      ARG  49   4.244   3.938   2.106
  378    HE   ARG  49           HE       ARG  49   5.786   1.633   2.391
  379   HH11  ARG  49          HH21      ARG  49   6.291   5.038   2.222
  380   HH12  ARG  49          HH22      ARG  49   7.688   5.017   3.248
  381   HH21  ARG  49          HH11      ARG  49   7.608   1.585   3.731
  382   HH22  ARG  49          HH12      ARG  49   8.433   3.061   4.101
  383    H    ILE  50           HN       ILE  50   3.741  -0.921  -0.492
  384    HA   ILE  50           HA       ILE  50   0.843  -0.742   0.076
  385    HB   ILE  50           HB       ILE  50   2.512  -3.107   0.804
  386   HG12  ILE  50          HG12      ILE  50   1.643  -2.304  -1.977
  387   HG13  ILE  50          HG11      ILE  50   3.285  -2.597  -1.420
  388   HG21  ILE  50          HG21      ILE  50   0.035  -2.877   1.294
  389   HG22  ILE  50          HG22      ILE  50   0.485  -4.310   0.372
  390   HG23  ILE  50          HG23      ILE  50  -0.227  -2.924  -0.448
  391   HD11  ILE  50          HD11      ILE  50   2.547  -4.971  -0.866
  392   HD12  ILE  50          HD12      ILE  50   2.623  -4.575  -2.581
  393   HD13  ILE  50          HD13      ILE  50   1.067  -4.622  -1.759
  394    H    GLU  51           HN       GLU  51   0.049  -0.763   2.127
  395    HA   GLU  51           HA       GLU  51   1.992  -0.849   4.381
  396    HB2  GLU  51           HB2      GLU  51  -0.184   1.237   4.148
  397    HB3  GLU  51           HB1      GLU  51   1.065   1.129   5.390
  398    HG2  GLU  51           HG2      GLU  51   2.797   1.400   3.647
  399    HG3  GLU  51           HG1      GLU  51   1.527   1.581   2.437
  400    H    GLN  52           HN       GLN  52   1.229  -1.775   6.213
  401    HA   GLN  52           HA       GLN  52  -1.289  -3.266   5.970
  402    HB2  GLN  52           HB2      GLN  52  -0.533  -4.558   7.783
  403    HB3  GLN  52           HB1      GLN  52   0.965  -4.121   6.959
  404    HG2  GLN  52           HG2      GLN  52   0.962  -2.053   8.543
  405    HG3  GLN  52           HG1      GLN  52  -0.181  -2.992   9.504
  406   HE21  GLN  52          HE21      GLN  52   0.598  -5.241  10.168
  407   HE22  GLN  52          HE22      GLN  52   2.259  -5.466  10.436
  408    H    CYS  53           HN       CYS  53  -3.049  -3.056   7.435
  409    HA   CYS  53           HA       CYS  53  -2.973  -0.811   9.358
  410    HB2  CYS  53           HB2      CYS  53  -4.411  -0.792   6.801
  411    HB3  CYS  53           HB1      CYS  53  -5.449  -0.455   8.186
  412    H    THR  54           HN       THR  54  -5.013  -0.840  10.735
  413    HA   THR  54           HA       THR  54  -5.677  -3.646  11.340
  414    HB   THR  54           HB       THR  54  -7.028  -1.741  13.032
  415    HG1  THR  54           HG1      THR  54  -5.522  -0.329  13.388
  416   HG21  THR  54          HG21      THR  54  -6.387  -4.032  13.662
  417   HG22  THR  54          HG22      THR  54  -5.659  -2.858  14.758
  418   HG23  THR  54          HG23      THR  54  -4.684  -3.608  13.494
  419    H    ARG  55           HN       ARG  55  -8.053  -4.048  11.963
  420    HA   ARG  55           HA       ARG  55  -9.733  -3.084   9.754
  421    HB2  ARG  55           HB2      ARG  55  -9.647  -5.533  10.321
  422    HB3  ARG  55           HB1      ARG  55 -10.368  -5.155  11.884
  423    HG2  ARG  55           HG2      ARG  55 -12.308  -4.113  10.655
  424    HG3  ARG  55           HG1      ARG  55 -11.611  -4.718   9.155
  425    HD2  ARG  55           HD2      ARG  55 -12.997  -6.183  11.321
  426    HD3  ARG  55           HD1      ARG  55 -12.908  -6.543   9.597
  427    HE   ARG  55           HE       ARG  55 -11.041  -7.488  11.657
  428   HH11  ARG  55          HH21      ARG  55 -11.685  -6.867   8.323
  429   HH12  ARG  55          HH22      ARG  55 -10.520  -8.014   7.751
  430   HH21  ARG  55          HH11      ARG  55  -9.518  -8.983  10.924
  431   HH22  ARG  55          HH12      ARG  55  -9.294  -9.210   9.222
  432    H    GLY  56           HN       GLY  56  -9.710  -0.980  10.713
  433    HA2  GLY  56           HA2      GLY  56 -12.052  -0.020  11.694
  434    HA3  GLY  56           HA1      GLY  56 -11.242  -0.530  13.177
  435    H    SER  57           HN       SER  57  -8.882   0.344  10.967
  436    HA   SER  57           HA       SER  57  -8.475   2.896  12.386
  437    HB2  SER  57           HB2      SER  57  -6.780   1.247  10.511
  438    HB3  SER  57           HB1      SER  57  -6.315   2.878  10.985
  439    HG   SER  57           HG       SER  57  -6.678   2.053  13.211
  440    H    LEU  58           HN       LEU  58  -9.223   1.700   9.157
  441    HA   LEU  58           HA       LEU  58  -9.274   4.491   8.130
  442    HB2  LEU  58           HB2      LEU  58  -9.929   2.228   6.326
  443    HB3  LEU  58           HB1      LEU  58  -8.936   3.654   6.037
  444    HG   LEU  58           HG       LEU  58  -8.131   1.212   7.641
  445   HD11  LEU  58          HD11      LEU  58  -6.979   2.348   5.079
  446   HD12  LEU  58          HD12      LEU  58  -8.167   1.048   5.111
  447   HD13  LEU  58          HD13      LEU  58  -6.578   0.808   5.837
  448   HD21  LEU  58          HD21      LEU  58  -5.876   2.718   7.204
  449   HD22  LEU  58          HD22      LEU  58  -6.804   2.730   8.701
  450   HD23  LEU  58          HD23      LEU  58  -7.087   3.968   7.480
  451    H    PHE  59           HN       PHE  59 -11.191   4.832   6.503
  452    HA   PHE  59           HA       PHE  59 -13.690   3.627   7.594
  453    HB2  PHE  59           HB2      PHE  59 -13.301   6.577   7.020
  454    HB3  PHE  59           HB1      PHE  59 -14.759   5.814   7.658
  455    HD1  PHE  59           HD1      PHE  59 -11.252   6.725   8.399
  456    HD2  PHE  59           HD2      PHE  59 -14.910   5.109   9.966
  457    HE1  PHE  59           HE1      PHE  59 -10.362   6.943  10.703
  458    HE2  PHE  59           HE2      PHE  59 -14.019   5.326  12.270
  459    HZ   PHE  59           HZ       PHE  59 -11.744   6.243  12.638
  460    H    MET  60           HN       MET  60 -15.000   2.916   5.988
  461    HA   MET  60           HA       MET  60 -14.347   3.719   3.196
  462    HB2  MET  60           HB2      MET  60 -16.286   1.655   3.222
  463    HB3  MET  60           HB1      MET  60 -14.582   1.525   2.789
  464    HG2  MET  60           HG2      MET  60 -13.996   1.151   5.151
  465    HG3  MET  60           HG1      MET  60 -15.694   1.303   5.602
  466    HE1  MET  60           HE1      MET  60 -14.024  -1.009   6.489
  467    HE2  MET  60           HE2      MET  60 -12.977  -1.096   5.075
  468    HE3  MET  60           HE3      MET  60 -13.977  -2.481   5.507
  469    H    CYS  61           HN       CYS  61 -15.898   4.537   1.810
  470    HA   CYS  61           HA       CYS  61 -18.023   6.096   2.943
  471    HB2  CYS  61           HB2      CYS  61 -17.404   6.994   0.923
  472    HB3  CYS  61           HB1      CYS  61 -17.059   5.421   0.209
  473    H    SER  62           HN       SER  62 -19.781   5.161   3.868
  474    HA   SER  62           HA       SER  62 -20.720   2.567   3.628
  475    HB2  SER  62           HB2      SER  62 -21.920   5.145   4.404
  476    HB3  SER  62           HB1      SER  62 -23.080   3.926   3.887
  477    HG   SER  62           HG       SER  62 -21.501   4.044   6.130
  478    H    ILE  63           HN       ILE  63 -22.282   5.270   1.896
  479    HA   ILE  63           HA       ILE  63 -23.892   3.828   0.165
  480    HB   ILE  63           HB       ILE  63 -22.265   6.261  -0.640
  481   HG12  ILE  63          HG12      ILE  63 -24.995   6.756   0.210
  482   HG13  ILE  63          HG11      ILE  63 -24.074   5.996   1.503
  483   HG21  ILE  63          HG21      ILE  63 -24.125   6.704  -2.156
  484   HG22  ILE  63          HG22      ILE  63 -24.991   5.291  -1.553
  485   HG23  ILE  63          HG23      ILE  63 -23.500   5.086  -2.471
  486   HD11  ILE  63          HD11      ILE  63 -23.258   8.474  -0.040
  487   HD12  ILE  63          HD12      ILE  63 -22.291   7.697   1.214
  488   HD13  ILE  63          HD13      ILE  63 -23.840   8.436   1.624
  489    H    VAL  64           HN       VAL  64 -22.956   1.872  -0.530
  490    HA   VAL  64           HA       VAL  64 -20.365   1.647  -1.720
  491    HB   VAL  64           HB       VAL  64 -21.619  -0.289  -0.844
  492   HG11  VAL  64          HG11      VAL  64 -23.771  -0.611  -1.387
  493   HG12  VAL  64          HG12      VAL  64 -23.330  -0.823  -3.080
  494   HG13  VAL  64          HG13      VAL  64 -23.704   0.785  -2.462
  495   HG21  VAL  64          HG21      VAL  64 -21.525  -1.320  -3.514
  496   HG22  VAL  64          HG22      VAL  64 -20.343  -1.522  -2.223
  497   HG23  VAL  64          HG23      VAL  64 -20.213  -0.155  -3.328
  498    H    GLN  65           HN       GLN  65 -22.246   0.231  -4.030
  499    HA   GLN  65           HA       GLN  65 -22.639   0.741  -6.286
  500    HB2  GLN  65           HB2      GLN  65 -24.136   2.459  -5.007
  501    HB3  GLN  65           HB1      GLN  65 -22.911   3.633  -5.491
  502    HG2  GLN  65           HG2      GLN  65 -23.213   2.621  -7.871
  503    HG3  GLN  65           HG1      GLN  65 -24.731   1.986  -7.235
  504   HE21  GLN  65          HE21      GLN  65 -26.295   3.631  -6.341
  505   HE22  GLN  65          HE22      GLN  65 -26.261   5.216  -6.950
  506    H    GLY  66           HN       GLY  66 -20.070   0.388  -6.012
  507    HA2  GLY  66           HA2      GLY  66 -18.025   0.925  -7.045
  508    HA3  GLY  66           HA1      GLY  66 -18.844   2.274  -7.836
  509    H    CYS  67           HN       CYS  67 -18.253   1.486  -4.396
  510    HA   CYS  67           HA       CYS  67 -16.621   3.947  -4.147
  511    HB2  CYS  67           HB2      CYS  67 -19.244   3.437  -2.744
  512    HB3  CYS  67           HB1      CYS  67 -18.024   4.505  -2.050
  513    H    LYS  68           HN       LYS  68 -17.862   2.920  -1.192
  514    HA   LYS  68           HA       LYS  68 -16.780   1.886   0.623
  515    HB2  LYS  68           HB2      LYS  68 -17.582  -0.033  -0.933
  516    HB3  LYS  68           HB1      LYS  68 -15.881  -0.186  -1.374
  517    HG2  LYS  68           HG2      LYS  68 -15.390  -0.298   1.135
  518    HG3  LYS  68           HG1      LYS  68 -17.126  -0.513   1.361
  519    HD2  LYS  68           HD2      LYS  68 -16.738  -2.720   1.050
  520    HD3  LYS  68           HD1      LYS  68 -16.534  -2.319  -0.655
  521    HE2  LYS  68           HE2      LYS  68 -14.592  -3.587   0.155
  522    HE3  LYS  68           HE1      LYS  68 -14.114  -1.941  -0.263
  523    HZ1  LYS  68           HZ1      LYS  68 -13.923  -3.252   2.223
  524    HZ2  LYS  68           HZ2      LYS  68 -14.944  -1.904   2.387
  525    HZ3  LYS  68           HZ3      LYS  68 -13.365  -1.710   1.791
  526    H    ARG  69           HN       ARG  69 -15.196   3.898  -0.605
  527    HA   ARG  69           HA       ARG  69 -12.498   2.724  -0.891
  528    HB2  ARG  69           HB2      ARG  69 -13.620   5.507  -1.243
  529    HB3  ARG  69           HB1      ARG  69 -11.883   5.198  -1.247
  530    HG2  ARG  69           HG2      ARG  69 -12.241   3.517  -3.073
  531    HG3  ARG  69           HG1      ARG  69 -13.939   3.994  -3.123
  532    HD2  ARG  69           HD2      ARG  69 -12.956   5.316  -4.806
  533    HD3  ARG  69           HD1      ARG  69 -13.028   6.407  -3.422
  534    HE   ARG  69           HE       ARG  69 -10.520   4.979  -3.465
  535   HH11  ARG  69          HH21      ARG  69 -12.340   7.520  -4.918
  536   HH12  ARG  69          HH22      ARG  69 -10.945   8.430  -5.390
  537   HH21  ARG  69          HH11      ARG  69  -8.686   6.153  -4.071
  538   HH22  ARG  69          HH12      ARG  69  -8.875   7.657  -4.910
  539    H    THR  70           HN       THR  70 -11.427   2.309   0.991
  540    HA   THR  70           HA       THR  70 -12.082   3.354   3.536
  541    HB   THR  70           HB       THR  70  -9.558   2.805   3.998
  542    HG1  THR  70           HG1      THR  70  -9.714   2.557   1.375
  543   HG21  THR  70          HG21      THR  70 -11.573   0.730   3.103
  544   HG22  THR  70          HG22      THR  70 -11.418   1.402   4.725
  545   HG23  THR  70          HG23      THR  70 -10.136   0.388   4.063
  546    H    TYR  71           HN       TYR  71 -10.506   4.805   4.853
  547    HA   TYR  71           HA       TYR  71  -9.048   6.792   3.288
  548    HB2  TYR  71           HB2      TYR  71 -11.688   7.364   4.592
  549    HB3  TYR  71           HB1      TYR  71 -10.484   8.638   4.420
  550    HD1  TYR  71           HD2      TYR  71  -9.419   8.916   2.050
  551    HD2  TYR  71           HD1      TYR  71 -13.123   6.875   2.795
  552    HE1  TYR  71           HE2      TYR  71 -10.056   9.205  -0.329
  553    HE2  TYR  71           HE1      TYR  71 -13.759   7.161   0.417
  554    HH   TYR  71           HH       TYR  71 -12.237   9.294  -1.648
  555    H    LEU  72           HN       LEU  72  -8.173   8.511   4.841
  556    HA   LEU  72           HA       LEU  72  -7.472   7.180   7.413
  557    HB2  LEU  72           HB2      LEU  72  -5.839   9.483   6.733
  558    HB3  LEU  72           HB1      LEU  72  -5.343   7.822   7.053
  559    HG   LEU  72           HG       LEU  72  -6.424   8.859   4.413
  560   HD11  LEU  72          HD11      LEU  72  -4.127   8.476   3.610
  561   HD12  LEU  72          HD12      LEU  72  -3.637   7.979   5.230
  562   HD13  LEU  72          HD13      LEU  72  -4.137   9.644   4.932
  563   HD21  LEU  72          HD21      LEU  72  -6.200   6.202   5.530
  564   HD22  LEU  72          HD22      LEU  72  -5.094   6.365   4.166
  565   HD23  LEU  72          HD23      LEU  72  -6.813   6.682   3.949
  566    H    SER  73           HN       SER  73  -9.396   9.636   6.180
  567    HA   SER  73           HA       SER  73  -9.768  10.729   8.880
  568    HB2  SER  73           HB2      SER  73  -7.814  11.985   7.648
  569    HB3  SER  73           HB1      SER  73  -9.123  12.753   6.757
  570    HG   SER  73           HG       SER  73  -8.833  14.003   8.528
  571    H    GLN  74           HN       GLN  74 -11.889  11.184   9.114
  572    HA   GLN  74           HA       GLN  74 -13.895  10.656   7.308
  573    HB2  GLN  74           HB2      GLN  74 -13.944  11.568   9.808
  574    HB3  GLN  74           HB1      GLN  74 -14.265  13.098   8.992
  575    HG2  GLN  74           HG2      GLN  74 -16.425  12.263   9.256
  576    HG3  GLN  74           HG1      GLN  74 -16.023  11.676   7.642
  577   HE21  GLN  74          HE21      GLN  74 -15.159   9.373   7.536
  578   HE22  GLN  74          HE22      GLN  74 -15.697   8.256   8.697
  579    H    ARG  75           HN       ARG  75 -11.804  13.446   7.342
  580    HA   ARG  75           HA       ARG  75 -13.350  15.177   5.684
  581    HB2  ARG  75           HB2      ARG  75 -11.419  15.997   6.919
  582    HB3  ARG  75           HB1      ARG  75 -10.351  14.922   6.015
  583    HG2  ARG  75           HG2      ARG  75 -12.011  16.612   4.286
  584    HG3  ARG  75           HG1      ARG  75 -10.932  17.535   5.329
  585    HD2  ARG  75           HD2      ARG  75  -9.000  16.388   4.503
  586    HD3  ARG  75           HD1      ARG  75  -9.988  15.180   3.683
  587    HE   ARG  75           HE       ARG  75 -10.757  17.602   2.544
  588   HH11  ARG  75          HH21      ARG  75  -7.835  15.842   3.048
  589   HH12  ARG  75          HH22      ARG  75  -7.065  16.455   1.622
  590   HH21  ARG  75          HH11      ARG  75  -9.769  18.410   0.680
  591   HH22  ARG  75          HH12      ARG  75  -8.160  17.908   0.282
  592    H    ASP  76           HN       ASP  76 -11.140  12.527   4.888
  593    HA   ASP  76           HA       ASP  76 -11.275  13.162   2.025
  594    HB2  ASP  76           HB2      ASP  76 -10.177  10.688   3.388
  595    HB3  ASP  76           HB1      ASP  76  -9.895  11.174   1.717
  596    H    LEU  77           HN       LEU  77 -12.699  10.897   4.300
  597    HA   LEU  77           HA       LEU  77 -14.134   9.381   2.300
  598    HB2  LEU  77           HB2      LEU  77 -13.722   8.382   4.475
  599    HB3  LEU  77           HB1      LEU  77 -14.498   9.730   5.285
  600    HG   LEU  77           HG       LEU  77 -16.204   8.465   3.264
  601   HD11  LEU  77          HD11      LEU  77 -16.660   6.500   4.811
  602   HD12  LEU  77          HD12      LEU  77 -15.147   6.899   5.623
  603   HD13  LEU  77          HD13      LEU  77 -15.138   6.426   3.925
  604   HD21  LEU  77          HD21      LEU  77 -17.852   8.766   4.978
  605   HD22  LEU  77          HD22      LEU  77 -16.792  10.171   5.083
  606   HD23  LEU  77          HD23      LEU  77 -16.622   8.851   6.239
  607    H    GLN  78           HN       GLN  78 -14.670  12.254   4.250
  608    HA   GLN  78           HA       GLN  78 -17.464  12.463   3.557
  609    HB2  GLN  78           HB2      GLN  78 -16.457  13.691   5.505
  610    HB3  GLN  78           HB1      GLN  78 -15.579  14.701   4.354
  611    HG2  GLN  78           HG2      GLN  78 -17.595  15.877   5.004
  612    HG3  GLN  78           HG1      GLN  78 -17.797  15.336   3.339
  613   HE21  GLN  78          HE21      GLN  78 -19.285  13.519   2.940
  614   HE22  GLN  78          HE22      GLN  78 -20.406  13.037   4.122
  615    H    ALA  79           HN       ALA  79 -14.414  13.423   2.238
  616    HA   ALA  79           HA       ALA  79 -15.525  15.054   0.107
  617    HB1  ALA  79           HB1      ALA  79 -12.836  13.655   0.318
  618    HB2  ALA  79           HB2      ALA  79 -13.173  15.299   0.861
  619    HB3  ALA  79           HB3      ALA  79 -13.254  14.903  -0.855
  620    H    HIS  80           HN       HIS  80 -15.187  11.664   0.743
  621    HA   HIS  80           HA       HIS  80 -15.163  10.862  -2.058
  622    HB2  HIS  80           HB2      HIS  80 -14.330   9.291  -0.413
  623    HB3  HIS  80           HB1      HIS  80 -15.864   9.319   0.448
  624    HD1  HIS  80           HD1      HIS  80 -14.136   7.708  -2.385
  625    HD2  HIS  80           HD2      HIS  80 -18.057   8.083  -1.034
  626    HE1  HIS  80           HE1      HIS  80 -15.493   5.958  -3.616
  627    H    ILE  81           HN       ILE  81 -17.624  11.160   0.453
  628    HA   ILE  81           HA       ILE  81 -19.834  10.262  -1.073
  629    HB   ILE  81           HB       ILE  81 -20.167  12.532   0.841
  630   HG12  ILE  81          HG12      ILE  81 -18.504  11.255   1.954
  631   HG13  ILE  81          HG11      ILE  81 -20.035  10.859   2.717
  632   HG21  ILE  81          HG21      ILE  81 -21.665   9.934   0.872
  633   HG22  ILE  81          HG22      ILE  81 -22.002  11.109  -0.398
  634   HG23  ILE  81          HG23      ILE  81 -22.224  11.552   1.294
  635   HD11  ILE  81          HD11      ILE  81 -19.246   8.720   2.409
  636   HD12  ILE  81          HD12      ILE  81 -18.268   9.169   1.015
  637   HD13  ILE  81          HD13      ILE  81 -20.008   8.942   0.834
  638    H    ASN  82           HN       ASN  82 -18.695  13.590  -0.487
  639    HA   ASN  82           HA       ASN  82 -20.553  14.795  -2.297
  640    HB2  ASN  82           HB2      ASN  82 -17.821  15.919  -1.679
  641    HB3  ASN  82           HB1      ASN  82 -19.322  16.793  -1.985
  642   HD21  ASN  82          HD21      ASN  82 -17.311  16.247   0.498
  643   HD22  ASN  82          HD22      ASN  82 -18.411  16.114   1.784
  644    H    HIS  83           HN       HIS  83 -17.563  13.090  -2.765
  645    HA   HIS  83           HA       HIS  83 -17.217  14.231  -5.440
  646    HB2  HIS  83           HB2      HIS  83 -15.702  12.161  -3.877
  647    HB3  HIS  83           HB1      HIS  83 -15.353  12.478  -5.573
  648    HD1  HIS  83           HD1      HIS  83 -12.996  13.445  -4.849
  649    HD2  HIS  83           HD2      HIS  83 -16.275  15.593  -3.422
  650    HE1  HIS  83           HE1      HIS  83 -12.098  15.670  -4.031
  651    HE2  HIS  83           HE2      HIS  83 -14.084  16.983  -3.161
  652    H    ARG  84           HN       ARG  84 -19.026  11.651  -4.108
  653    HA   ARG  84           HA       ARG  84 -19.154  10.348  -6.782
  654    HB2  ARG  84           HB2      ARG  84 -19.526   9.095  -4.073
  655    HB3  ARG  84           HB1      ARG  84 -19.638   8.245  -5.614
  656    HG2  ARG  84           HG2      ARG  84 -17.186   9.766  -4.673
  657    HG3  ARG  84           HG1      ARG  84 -17.391   8.026  -4.500
  658    HD2  ARG  84           HD2      ARG  84 -17.953   8.375  -7.168
  659    HD3  ARG  84           HD1      ARG  84 -16.728   9.611  -6.897
  660    HE   ARG  84           HE       ARG  84 -16.308   6.714  -6.780
  661   HH11  ARG  84          HH21      ARG  84 -15.260   9.874  -5.877
  662   HH12  ARG  84          HH22      ARG  84 -13.611   9.401  -5.639
  663   HH21  ARG  84          HH11      ARG  84 -14.161   6.081  -6.475
  664   HH22  ARG  84          HH12      ARG  84 -12.989   7.255  -5.977
  665    H    HIS  85           HN       HIS  85 -21.161  11.102  -3.946
  666    HA   HIS  85           HA       HIS  85 -23.441  11.419  -5.769
  667    HB2  HIS  85           HB2      HIS  85 -24.636   9.891  -3.834
  668    HB3  HIS  85           HB1      HIS  85 -24.124   9.288  -5.410
  669    HD1  HIS  85           HD1      HIS  85 -23.298   6.982  -4.734
  670    HD2  HIS  85           HD2      HIS  85 -21.617  10.021  -2.438
  671    HE1  HIS  85           HE1      HIS  85 -21.486   5.900  -3.338
  672    H    MET  86           HN       MET  86 -21.969  11.782  -2.648
  673    HA   MET  86           HA       MET  86 -22.354  13.360  -0.952
  674    HB2  MET  86           HB2      MET  86 -22.754  14.804  -3.112
  675    HB3  MET  86           HB1      MET  86 -24.450  14.691  -2.646
  676    HG2  MET  86           HG2      MET  86 -23.406  15.338  -0.254
  677    HG3  MET  86           HG1      MET  86 -22.210  16.110  -1.296
  678    HE1  MET  86           HE1      MET  86 -24.325  19.051  -0.154
  679    HE2  MET  86           HE2      MET  86 -22.793  18.816  -0.994
  680    HE3  MET  86           HE3      MET  86 -23.186  17.817   0.402
  681    H    ARG  87           HN       ARG  87 -23.828  10.908  -0.974
  682    HA   ARG  87           HA       ARG  87 -26.572  11.644  -0.169
  683    HB2  ARG  87           HB2      ARG  87 -25.348   9.318  -1.262
  684    HB3  ARG  87           HB1      ARG  87 -25.966   8.885   0.333
  685    HG2  ARG  87           HG2      ARG  87 -28.175   9.755  -0.246
  686    HG3  ARG  87           HG1      ARG  87 -27.575  10.300  -1.813
  687    HD2  ARG  87           HD2      ARG  87 -26.935   7.505  -1.402
  688    HD3  ARG  87           HD1      ARG  87 -28.667   7.776  -1.209
  689    HE   ARG  87           HE       ARG  87 -28.122   9.148  -3.516
  690   HH11  ARG  87          HH21      ARG  87 -27.347   6.004  -2.333
  691   HH12  ARG  87          HH22      ARG  87 -27.318   5.274  -3.904
  692   HH21  ARG  87          HH11      ARG  87 -28.090   8.213  -5.574
  693   HH22  ARG  87          HH12      ARG  87 -27.739   6.526  -5.738
  694    H    ALA  88           HN       ALA  88 -27.053   9.824   1.867
  695    HA   ALA  88           HA       ALA  88 -25.888  11.185   4.139
  696    HB1  ALA  88           HB1      ALA  88 -27.000   8.881   5.163
  697    HB2  ALA  88           HB2      ALA  88 -27.912   9.102   3.669
  698    HB3  ALA  88           HB3      ALA  88 -27.880  10.385   4.879
  699    H    GLY  89           HN       GLY  89 -23.647  10.876   4.195
  700    HA2  GLY  89           HA2      GLY  89 -22.777   8.169   5.009
  701    HA3  GLY  89           HA1      GLY  89 -21.985   8.857   3.591
  Start of MODEL    4
    1    H1   VAL   1           HT1      VAL   1 -10.989  -6.492   9.835
    2    H2   VAL   1           HT2      VAL   1 -12.569  -7.042  10.129
    3    H3   VAL   1           HT3      VAL   1 -12.246  -6.056   8.784
    4    HA   VAL   1           HA       VAL   1 -10.886  -7.786   7.797
    5    HB   VAL   1           HB       VAL   1 -10.595  -9.899   8.844
    6   HG11  VAL   1          HG11      VAL   1 -10.474  -8.150  11.279
    7   HG12  VAL   1          HG12      VAL   1  -9.452  -7.763   9.895
    8   HG13  VAL   1          HG13      VAL   1  -9.300  -9.328  10.694
    9   HG21  VAL   1          HG21      VAL   1 -12.686 -10.498   9.700
   10   HG22  VAL   1          HG22      VAL   1 -12.883  -8.970  10.558
   11   HG23  VAL   1          HG23      VAL   1 -11.775 -10.194  11.178
   12    H    HIS   2           HN       HIS   2 -11.925  -9.461   6.486
   13    HA   HIS   2           HA       HIS   2 -14.657 -10.251   6.877
   14    HB2  HIS   2           HB2      HIS   2 -15.162  -7.910   6.389
   15    HB3  HIS   2           HB1      HIS   2 -14.171  -7.974   4.933
   16    HD1  HIS   2           HD1      HIS   2 -17.216  -9.767   6.383
   17    HD2  HIS   2           HD2      HIS   2 -15.611  -8.691   2.686
   18    HE1  HIS   2           HE1      HIS   2 -18.923 -10.443   4.635
   19    HE2  HIS   2           HE2      HIS   2 -17.956  -9.793   2.382
   20    H    PHE   3           HN       PHE   3 -13.497  -9.186   3.745
   21    HA   PHE   3           HA       PHE   3 -12.344 -11.761   3.042
   22    HB2  PHE   3           HB2      PHE   3 -15.102 -10.984   2.114
   23    HB3  PHE   3           HB1      PHE   3 -14.082 -12.038   1.136
   24    HD1  PHE   3           HD2      PHE   3 -12.883 -13.987   2.533
   25    HD2  PHE   3           HD1      PHE   3 -16.517 -11.998   3.674
   26    HE1  PHE   3           HE2      PHE   3 -13.492 -15.918   3.965
   27    HE2  PHE   3           HE1      PHE   3 -17.124 -13.929   5.105
   28    HZ   PHE   3           HZ       PHE   3 -15.613 -15.889   5.251
   29    H    CYS   4           HN       CYS   4 -10.578 -10.892   2.061
   30    HA   CYS   4           HA       CYS   4 -10.376  -8.460   0.692
   31    HB2  CYS   4           HB2      CYS   4  -8.315  -9.239  -0.140
   32    HB3  CYS   4           HB1      CYS   4  -8.539 -10.160   1.345
   33    H    ASP   5           HN       ASP   5 -10.680  -7.823  -1.450
   34    HA   ASP   5           HA       ASP   5 -12.501  -9.529  -3.021
   35    HB2  ASP   5           HB2      ASP   5 -11.495  -6.804  -3.837
   36    HB3  ASP   5           HB1      ASP   5 -13.016  -7.589  -4.269
   37    H    LYS   6           HN       LYS   6  -9.208  -9.132  -2.729
   38    HA   LYS   6           HA       LYS   6  -8.555  -9.368  -5.577
   39    HB2  LYS   6           HB2      LYS   6  -7.154  -8.234  -3.671
   40    HB3  LYS   6           HB1      LYS   6  -6.598  -9.876  -3.356
   41    HG2  LYS   6           HG2      LYS   6  -6.302  -9.835  -6.033
   42    HG3  LYS   6           HG1      LYS   6  -6.093  -8.117  -5.705
   43    HD2  LYS   6           HD2      LYS   6  -4.547 -10.333  -4.320
   44    HD3  LYS   6           HD1      LYS   6  -3.936  -9.370  -5.662
   45    HE2  LYS   6           HE2      LYS   6  -4.935  -7.526  -3.760
   46    HE3  LYS   6           HE1      LYS   6  -3.985  -8.708  -2.861
   47    HZ1  LYS   6           HZ1      LYS   6  -2.820  -6.686  -3.932
   48    HZ2  LYS   6           HZ2      LYS   6  -2.936  -7.584  -5.369
   49    HZ3  LYS   6           HZ3      LYS   6  -2.091  -8.214  -4.036
   50    H    CYS   7           HN       CYS   7  -8.815 -11.455  -2.746
   51    HA   CYS   7           HA       CYS   7  -8.501 -13.793  -4.552
   52    HB2  CYS   7           HB2      CYS   7  -7.516 -14.510  -1.981
   53    HB3  CYS   7           HB1      CYS   7  -6.628 -14.444  -3.503
   54    H    GLY   8           HN       GLY   8 -10.220 -12.255  -1.988
   55    HA2  GLY   8           HA2      GLY   8 -12.383 -12.940  -1.237
   56    HA3  GLY   8           HA1      GLY   8 -12.120 -14.508  -1.993
   57    H    LEU   9           HN       LEU   9  -9.492 -13.468  -0.066
   58    HA   LEU   9           HA       LEU   9 -10.227 -15.488   1.984
   59    HB2  LEU   9           HB2      LEU   9  -7.703 -14.318   0.954
   60    HB3  LEU   9           HB1      LEU   9  -7.733 -14.648   2.687
   61    HG   LEU   9           HG       LEU   9  -8.424 -16.969   2.245
   62   HD11  LEU   9          HD11      LEU   9  -9.560 -17.236   0.293
   63   HD12  LEU   9          HD12      LEU   9  -7.959 -17.428  -0.422
   64   HD13  LEU   9          HD13      LEU   9  -8.762 -15.858  -0.465
   65   HD21  LEU   9          HD21      LEU   9  -5.986 -16.285   2.278
   66   HD22  LEU   9          HD22      LEU   9  -6.042 -16.242   0.516
   67   HD23  LEU   9          HD23      LEU   9  -6.317 -17.760   1.370
   68    HA   PRO  10           HA       PRO  10 -11.311 -12.464   4.994
   69    HB2  PRO  10           HB2      PRO  10  -9.991 -13.379   7.247
   70    HB3  PRO  10           HB1      PRO  10 -11.557 -13.972   6.667
   71    HG2  PRO  10           HG2      PRO  10  -8.856 -15.165   6.367
   72    HG3  PRO  10           HG1      PRO  10 -10.428 -15.956   6.563
   73    HD2  PRO  10           HD2      PRO  10  -9.145 -15.809   4.155
   74    HD3  PRO  10           HD1      PRO  10 -10.916 -15.853   4.300
   75    H    ILE  11           HN       ILE  11 -10.559 -10.473   5.544
   76    HA   ILE  11           HA       ILE  11  -7.722  -9.912   5.057
   77    HB   ILE  11           HB       ILE  11 -10.149  -8.187   5.564
   78   HG12  ILE  11          HG12      ILE  11  -8.324  -8.403   3.165
   79   HG13  ILE  11          HG11      ILE  11  -9.764  -9.402   3.362
   80   HG21  ILE  11          HG21      ILE  11  -8.651  -6.643   6.333
   81   HG22  ILE  11          HG22      ILE  11  -8.227  -6.480   4.629
   82   HG23  ILE  11          HG23      ILE  11  -7.272  -7.522   5.679
   83   HD11  ILE  11          HD11      ILE  11  -9.684  -6.855   2.244
   84   HD12  ILE  11          HD12      ILE  11 -10.316  -6.587   3.868
   85   HD13  ILE  11          HD13      ILE  11 -11.130  -7.712   2.779
   86    H    LYS  12           HN       LYS  12  -6.636 -10.746   6.848
   87    HA   LYS  12           HA       LYS  12  -7.443 -10.234   9.580
   88    HB2  LYS  12           HB2      LYS  12  -4.637 -10.845   8.612
   89    HB3  LYS  12           HB1      LYS  12  -5.324 -11.184  10.201
   90    HG2  LYS  12           HG2      LYS  12  -6.908 -12.776   9.188
   91    HG3  LYS  12           HG1      LYS  12  -6.241 -12.431   7.592
   92    HD2  LYS  12           HD2      LYS  12  -4.044 -13.052   9.276
   93    HD3  LYS  12           HD1      LYS  12  -5.277 -14.278   9.574
   94    HE2  LYS  12           HE2      LYS  12  -4.194 -13.472   6.858
   95    HE3  LYS  12           HE1      LYS  12  -3.827 -14.970   7.714
   96    HZ1  LYS  12           HZ1      LYS  12  -5.809 -14.703   5.943
   97    HZ2  LYS  12           HZ2      LYS  12  -6.645 -14.391   7.389
   98    HZ3  LYS  12           HZ3      LYS  12  -5.804 -15.854   7.189
   99    H    VAL  13           HN       VAL  13  -5.321  -8.657   7.256
  100    HA   VAL  13           HA       VAL  13  -5.266  -6.260   9.004
  101    HB   VAL  13           HB       VAL  13  -2.860  -6.877   7.387
  102   HG11  VAL  13          HG11      VAL  13  -3.154  -5.811  10.204
  103   HG12  VAL  13          HG12      VAL  13  -3.220  -4.788   8.770
  104   HG13  VAL  13          HG13      VAL  13  -1.745  -5.672   9.154
  105   HG21  VAL  13          HG21      VAL  13  -3.598  -8.307   9.949
  106   HG22  VAL  13          HG22      VAL  13  -1.935  -8.177   9.376
  107   HG23  VAL  13          HG23      VAL  13  -3.138  -9.031   8.409
  108    H    TYR  14           HN       TYR  14  -5.421  -4.359   7.798
  109    HA   TYR  14           HA       TYR  14  -6.477  -4.645   5.125
  110    HB2  TYR  14           HB2      TYR  14  -5.748  -2.232   6.774
  111    HB3  TYR  14           HB1      TYR  14  -6.410  -2.114   5.151
  112    HD1  TYR  14           HD2      TYR  14  -7.076  -3.908   8.375
  113    HD2  TYR  14           HD1      TYR  14  -8.725  -1.964   4.917
  114    HE1  TYR  14           HE2      TYR  14  -9.353  -4.220   9.292
  115    HE2  TYR  14           HE1      TYR  14 -11.006  -2.270   5.840
  116    HH   TYR  14           HH       TYR  14 -11.975  -2.581   8.296
  117    H    GLY  15           HN       GLY  15  -5.084  -5.215   3.537
  118    HA2  GLY  15           HA2      GLY  15  -2.346  -4.264   3.443
  119    HA3  GLY  15           HA1      GLY  15  -3.181  -5.147   2.155
  120    H    ARG  16           HN       ARG  16  -2.861  -1.974   3.667
  121    HA   ARG  16           HA       ARG  16  -4.525  -0.584   1.795
  122    HB2  ARG  16           HB2      ARG  16  -3.996   0.514   3.864
  123    HB3  ARG  16           HB1      ARG  16  -2.265   0.356   3.572
  124    HG2  ARG  16           HG2      ARG  16  -2.228   2.061   2.010
  125    HG3  ARG  16           HG1      ARG  16  -3.904   1.797   1.531
  126    HD2  ARG  16           HD2      ARG  16  -3.111   2.895   4.239
  127    HD3  ARG  16           HD1      ARG  16  -3.496   3.921   2.857
  128    HE   ARG  16           HE       ARG  16  -5.419   2.517   4.502
  129   HH11  ARG  16          HH21      ARG  16  -4.652   3.573   1.311
  130   HH12  ARG  16          HH22      ARG  16  -6.306   3.684   0.810
  131   HH21  ARG  16          HH11      ARG  16  -7.580   2.654   3.864
  132   HH22  ARG  16          HH12      ARG  16  -7.963   3.162   2.253
  133    H    MET  17           HN       MET  17  -4.099   0.139  -0.242
  134    HA   MET  17           HA       MET  17  -1.302  -0.210  -1.242
  135    HB2  MET  17           HB2      MET  17  -3.798  -0.351  -2.931
  136    HB3  MET  17           HB1      MET  17  -2.173  -0.902  -3.340
  137    HG2  MET  17           HG2      MET  17  -2.344  -2.545  -1.437
  138    HG3  MET  17           HG1      MET  17  -4.032  -2.076  -1.263
  139    HE1  MET  17           HE1      MET  17  -1.999  -4.432  -4.588
  140    HE2  MET  17           HE2      MET  17  -1.633  -4.506  -2.868
  141    HE3  MET  17           HE3      MET  17  -1.341  -3.019  -3.757
  142    H    ILE  18           HN       ILE  18  -0.360   1.507  -2.215
  143    HA   ILE  18           HA       ILE  18  -2.041   3.913  -2.746
  144    HB   ILE  18           HB       ILE  18   0.476   4.914  -2.468
  145   HG12  ILE  18          HG12      ILE  18   0.273   2.643  -0.478
  146   HG13  ILE  18          HG11      ILE  18   1.316   2.643  -1.902
  147   HG21  ILE  18          HG21      ILE  18  -1.445   4.308  -0.192
  148   HG22  ILE  18          HG22      ILE  18  -1.586   5.681  -1.288
  149   HG23  ILE  18          HG23      ILE  18  -0.213   5.570  -0.190
  150   HD11  ILE  18          HD11      ILE  18   2.634   3.368   0.002
  151   HD12  ILE  18          HD12      ILE  18   1.424   4.578   0.424
  152   HD13  ILE  18          HD13      ILE  18   2.371   4.757  -1.052
  153    HA   PRO  19           HA       PRO  19  -1.301   5.970  -3.577
  154    HB2  PRO  19           HB2      PRO  19  -2.016   7.391  -5.764
  155    HB3  PRO  19           HB1      PRO  19  -0.328   7.279  -5.226
  156    HG2  PRO  19           HG2      PRO  19  -1.701   5.881  -7.455
  157    HG3  PRO  19           HG1      PRO  19  -0.042   6.491  -7.351
  158    HD2  PRO  19           HD2      PRO  19  -0.785   3.824  -6.998
  159    HD3  PRO  19           HD1      PRO  19   0.738   4.542  -6.439
  160    H    CYS  20           HN       CYS  20  -2.742   3.544  -5.328
  161    HA   CYS  20           HA       CYS  20  -5.326   4.375  -5.988
  162    HB2  CYS  20           HB2      CYS  20  -4.020   1.957  -5.811
  163    HB3  CYS  20           HB1      CYS  20  -5.225   1.814  -4.532
  164    H    LYS  21           HN       LYS  21  -4.011   3.471  -2.839
  165    HA   LYS  21           HA       LYS  21  -4.709   4.084  -0.695
  166    HB2  LYS  21           HB2      LYS  21  -5.636   6.165  -2.213
  167    HB3  LYS  21           HB1      LYS  21  -7.146   5.513  -1.577
  168    HG2  LYS  21           HG2      LYS  21  -6.261   5.654   0.713
  169    HG3  LYS  21           HG1      LYS  21  -4.729   6.272   0.093
  170    HD2  LYS  21           HD2      LYS  21  -7.232   7.695  -0.709
  171    HD3  LYS  21           HD1      LYS  21  -6.641   7.923   0.938
  172    HE2  LYS  21           HE2      LYS  21  -4.640   8.898   0.229
  173    HE3  LYS  21           HE1      LYS  21  -4.731   8.158  -1.369
  174    HZ1  LYS  21           HZ1      LYS  21  -6.092   9.761  -2.138
  175    HZ2  LYS  21           HZ2      LYS  21  -5.375  10.682  -0.904
  176    HZ3  LYS  21           HZ3      LYS  21  -6.895   9.964  -0.658
  177    H    HIS  22           HN       HIS  22  -5.652   1.792  -2.318
  178    HA   HIS  22           HA       HIS  22  -8.363   1.351  -1.173
  179    HB2  HIS  22           HB2      HIS  22  -6.784   0.017  -3.364
  180    HB3  HIS  22           HB1      HIS  22  -8.173  -0.791  -2.631
  181    HD2  HIS  22           HD2      HIS  22 -10.595   1.026  -2.693
  182    HE1  HIS  22           HE1      HIS  22  -9.260   2.888  -6.240
  183    HE2  HIS  22           HE2      HIS  22 -11.247   2.561  -4.698
  184    H    VAL  23           HN       VAL  23  -8.497  -1.295  -0.649
  185    HA   VAL  23           HA       VAL  23  -6.091  -2.024   0.920
  186    HB   VAL  23           HB       VAL  23  -7.219  -2.247   2.980
  187   HG11  VAL  23          HG11      VAL  23  -8.065  -0.010   3.420
  188   HG12  VAL  23          HG12      VAL  23  -8.351   0.254   1.699
  189   HG13  VAL  23          HG13      VAL  23  -6.702   0.103   2.307
  190   HG21  VAL  23          HG21      VAL  23  -9.269  -3.236   2.607
  191   HG22  VAL  23          HG22      VAL  23  -9.640  -2.192   1.234
  192   HG23  VAL  23          HG23      VAL  23  -9.805  -1.578   2.879
  193    H    PHE  24           HN       PHE  24  -5.983  -4.220   1.529
  194    HA   PHE  24           HA       PHE  24  -8.105  -6.068   0.652
  195    HB2  PHE  24           HB2      PHE  24  -5.312  -6.249  -0.523
  196    HB3  PHE  24           HB1      PHE  24  -6.649  -7.356  -0.834
  197    HD1  PHE  24           HD1      PHE  24  -5.418  -3.911  -1.337
  198    HD2  PHE  24           HD2      PHE  24  -8.419  -6.792  -2.359
  199    HE1  PHE  24           HE1      PHE  24  -6.181  -2.447  -3.188
  200    HE2  PHE  24           HE2      PHE  24  -9.182  -5.341  -4.215
  201    HZ   PHE  24           HZ       PHE  24  -8.056  -3.175  -4.644
  202    H    CYS  25           HN       CYS  25  -6.142  -8.272   0.611
  203    HA   CYS  25           HA       CYS  25  -5.804  -8.527   3.542
  204    HB2  CYS  25           HB2      CYS  25  -4.857 -10.859   2.568
  205    HB3  CYS  25           HB1      CYS  25  -6.579 -10.577   2.828
  206    H    TYR  26           HN       TYR  26  -3.950  -7.536   4.217
  207    HA   TYR  26           HA       TYR  26  -1.726  -6.846   2.688
  208    HB2  TYR  26           HB2      TYR  26  -2.096  -6.118   5.032
  209    HB3  TYR  26           HB1      TYR  26  -1.675  -7.738   5.579
  210    HD1  TYR  26           HD1      TYR  26  -0.244  -5.165   3.206
  211    HD2  TYR  26           HD2      TYR  26   0.490  -7.992   6.361
  212    HE1  TYR  26           HE1      TYR  26   2.153  -4.569   3.184
  213    HE2  TYR  26           HE2      TYR  26   2.892  -7.391   6.335
  214    HH   TYR  26           HH       TYR  26   4.084  -4.652   4.682
  215    H    ASP  27           HN       ASP  27  -2.732 -10.003   3.486
  216    HA   ASP  27           HA       ASP  27  -0.053 -11.165   3.300
  217    HB2  ASP  27           HB2      ASP  27  -2.676 -12.657   3.119
  218    HB3  ASP  27           HB1      ASP  27  -1.110 -13.279   3.643
  219    H    CYS  28           HN       CYS  28  -2.980 -11.154   1.259
  220    HA   CYS  28           HA       CYS  28  -1.487 -12.407  -0.915
  221    HB2  CYS  28           HB2      CYS  28  -4.124 -11.015  -1.304
  222    HB3  CYS  28           HB1      CYS  28  -3.503 -12.451  -2.114
  223    H    ALA  29           HN       ALA  29  -2.162  -9.207   0.209
  224    HA   ALA  29           HA       ALA  29  -1.680  -7.839  -2.268
  225    HB1  ALA  29           HB1      ALA  29  -0.943  -6.532   0.309
  226    HB2  ALA  29           HB2      ALA  29  -2.619  -7.051   0.146
  227    HB3  ALA  29           HB3      ALA  29  -1.933  -5.915  -1.014
  228    H    ILE  30           HN       ILE  30   0.396  -9.036   0.352
  229    HA   ILE  30           HA       ILE  30   2.749  -7.778  -0.839
  230    HB   ILE  30           HB       ILE  30   3.999  -8.841   0.935
  231   HG12  ILE  30          HG12      ILE  30   1.472 -10.266   1.781
  232   HG13  ILE  30          HG11      ILE  30   2.739 -11.060   0.860
  233   HG21  ILE  30          HG21      ILE  30   2.287  -8.172   2.882
  234   HG22  ILE  30          HG22      ILE  30   1.431  -7.469   1.519
  235   HG23  ILE  30          HG23      ILE  30   3.081  -6.973   1.869
  236   HD11  ILE  30          HD11      ILE  30   3.109 -11.531   3.200
  237   HD12  ILE  30          HD12      ILE  30   3.010  -9.817   3.603
  238   HD13  ILE  30          HD13      ILE  30   4.366 -10.424   2.652
  239    H    LEU  31           HN       LEU  31   1.209 -10.951  -0.827
  240    HA   LEU  31           HA       LEU  31   3.435 -12.274  -2.137
  241    HB2  LEU  31           HB2      LEU  31   0.505 -12.952  -1.884
  242    HB3  LEU  31           HB1      LEU  31   1.604 -13.949  -2.826
  243    HG   LEU  31           HG       LEU  31   2.367 -13.199  -0.023
  244   HD11  LEU  31          HD11      LEU  31   0.165 -15.033  -0.859
  245   HD12  LEU  31          HD12      LEU  31   0.331 -14.079   0.614
  246   HD13  LEU  31          HD13      LEU  31   1.233 -15.582   0.432
  247   HD21  LEU  31          HD21      LEU  31   2.729 -15.903  -1.230
  248   HD22  LEU  31          HD22      LEU  31   3.830 -14.969  -0.219
  249   HD23  LEU  31          HD23      LEU  31   3.667 -14.585  -1.932
  250    H    HIS  32           HN       HIS  32   0.849 -10.195  -3.199
  251    HA   HIS  32           HA       HIS  32   1.095 -10.973  -6.006
  252    HB2  HIS  32           HB2      HIS  32  -0.565  -9.138  -4.414
  253    HB3  HIS  32           HB1      HIS  32  -0.129  -8.504  -6.002
  254    HD1  HIS  32           HD1      HIS  32  -2.025  -9.007  -7.548
  255    HD2  HIS  32           HD2      HIS  32  -1.219 -12.220  -5.012
  256    HE1  HIS  32           HE1      HIS  32  -3.567 -10.888  -8.260
  257    HE2  HIS  32           HE2      HIS  32  -3.085 -12.847  -6.723
  258    H    GLU  33           HN       GLU  33   2.223  -8.343  -3.917
  259    HA   GLU  33           HA       GLU  33   3.563  -6.922  -6.067
  260    HB2  GLU  33           HB2      GLU  33   3.152  -6.587  -3.217
  261    HB3  GLU  33           HB1      GLU  33   4.830  -6.263  -3.648
  262    HG2  GLU  33           HG2      GLU  33   2.458  -5.067  -5.102
  263    HG3  GLU  33           HG1      GLU  33   3.342  -4.246  -3.817
  264    H    LYS  34           HN       LYS  34   4.468  -9.466  -3.804
  265    HA   LYS  34           HA       LYS  34   7.307  -9.269  -4.483
  266    HB2  LYS  34           HB2      LYS  34   5.673 -11.196  -2.831
  267    HB3  LYS  34           HB1      LYS  34   7.386 -11.462  -3.153
  268    HG2  LYS  34           HG2      LYS  34   8.025  -9.487  -2.013
  269    HG3  LYS  34           HG1      LYS  34   6.383  -8.843  -2.040
  270    HD2  LYS  34           HD2      LYS  34   5.636 -10.356  -0.384
  271    HD3  LYS  34           HD1      LYS  34   7.028 -11.416  -0.605
  272    HE2  LYS  34           HE2      LYS  34   8.501  -9.878   0.459
  273    HE3  LYS  34           HE1      LYS  34   7.324  -8.569   0.363
  274    HZ1  LYS  34           HZ1      LYS  34   7.619 -10.586   2.351
  275    HZ2  LYS  34           HZ2      LYS  34   6.043 -10.578   1.715
  276    HZ3  LYS  34           HZ3      LYS  34   6.695  -9.163   2.391
  277    H    LYS  35           HN       LYS  35   4.517 -11.072  -5.606
  278    HA   LYS  35           HA       LYS  35   6.150 -13.040  -6.999
  279    HB2  LYS  35           HB2      LYS  35   3.205 -12.447  -6.921
  280    HB3  LYS  35           HB1      LYS  35   3.871 -13.591  -8.085
  281    HG2  LYS  35           HG2      LYS  35   4.762 -14.982  -6.332
  282    HG3  LYS  35           HG1      LYS  35   4.374 -13.776  -5.104
  283    HD2  LYS  35           HD2      LYS  35   2.145 -14.317  -5.079
  284    HD3  LYS  35           HD1      LYS  35   2.116 -14.715  -6.797
  285    HE2  LYS  35           HE2      LYS  35   3.299 -16.821  -6.345
  286    HE3  LYS  35           HE1      LYS  35   3.378 -16.421  -4.629
  287    HZ1  LYS  35           HZ1      LYS  35   1.223 -16.922  -4.323
  288    HZ2  LYS  35           HZ2      LYS  35   1.427 -17.863  -5.722
  289    HZ3  LYS  35           HZ3      LYS  35   0.739 -16.313  -5.831
  290    H    GLY  36           HN       GLY  36   3.598 -11.109  -8.429
  291    HA2  GLY  36           HA2      GLY  36   5.297  -9.615 -10.212
  292    HA3  GLY  36           HA1      GLY  36   4.636 -11.034 -11.034
  293    H    ASP  37           HN       ASP  37   3.142  -9.093  -8.508
  294    HA   ASP  37           HA       ASP  37   1.100  -8.149 -10.457
  295    HB2  ASP  37           HB2      ASP  37   0.678  -9.647  -7.885
  296    HB3  ASP  37           HB1      ASP  37  -0.543  -8.509  -8.455
  297    H    LYS  38           HN       LYS  38   2.993  -6.452  -9.884
  298    HA   LYS  38           HA       LYS  38   2.656  -4.953  -7.437
  299    HB2  LYS  38           HB2      LYS  38   3.896  -3.165  -8.963
  300    HB3  LYS  38           HB1      LYS  38   4.755  -4.580  -8.362
  301    HG2  LYS  38           HG2      LYS  38   4.556  -5.724 -10.423
  302    HG3  LYS  38           HG1      LYS  38   3.294  -4.634 -10.998
  303    HD2  LYS  38           HD2      LYS  38   5.843  -3.313 -10.297
  304    HD3  LYS  38           HD1      LYS  38   5.932  -4.406 -11.679
  305    HE2  LYS  38           HE2      LYS  38   4.177  -3.232 -12.827
  306    HE3  LYS  38           HE1      LYS  38   3.800  -2.276 -11.393
  307    HZ1  LYS  38           HZ1      LYS  38   5.685  -1.742 -13.405
  308    HZ2  LYS  38           HZ2      LYS  38   6.512  -1.950 -11.935
  309    HZ3  LYS  38           HZ3      LYS  38   5.277  -0.791 -12.061
  310    H    MET  39           HN       MET  39   0.230  -5.467  -8.951
  311    HA   MET  39           HA       MET  39  -0.623  -2.655  -9.411
  312    HB2  MET  39           HB2      MET  39  -0.661  -4.827 -11.267
  313    HB3  MET  39           HB1      MET  39  -2.327  -4.388 -10.870
  314    HG2  MET  39           HG2      MET  39  -1.828  -2.029 -11.326
  315    HG3  MET  39           HG1      MET  39  -0.157  -2.447 -11.702
  316    HE1  MET  39           HE1      MET  39   0.268  -2.116 -14.394
  317    HE2  MET  39           HE2      MET  39  -0.767  -0.948 -13.579
  318    HE3  MET  39           HE3      MET  39  -1.228  -1.568 -15.163
  319    H    CYS  40           HN       CYS  40  -3.040  -2.439  -9.153
  320    HA   CYS  40           HA       CYS  40  -3.867  -3.953  -6.734
  321    HB2  CYS  40           HB2      CYS  40  -3.855  -1.595  -6.394
  322    HB3  CYS  40           HB1      CYS  40  -4.702  -1.305  -7.913
  323    HA   PRO  41           HA       PRO  41  -6.321  -6.001 -10.293
  324    HB2  PRO  41           HB2      PRO  41  -6.858  -7.659  -7.867
  325    HB3  PRO  41           HB1      PRO  41  -6.567  -8.167  -9.540
  326    HG2  PRO  41           HG2      PRO  41  -4.690  -8.232  -7.569
  327    HG3  PRO  41           HG1      PRO  41  -4.328  -8.127  -9.295
  328    HD2  PRO  41           HD2      PRO  41  -3.873  -6.139  -7.247
  329    HD3  PRO  41           HD1      PRO  41  -3.415  -6.090  -8.962
  330    H    GLY  42           HN       GLY  42  -7.214  -4.723  -7.130
  331    HA2  GLY  42           HA2      GLY  42 -10.070  -5.161  -7.520
  332    HA3  GLY  42           HA1      GLY  42  -9.347  -4.123  -6.292
  333    H    CYS  43           HN       CYS  43  -7.756  -2.588  -8.134
  334    HA   CYS  43           HA       CYS  43  -9.862  -1.143  -9.658
  335    HB2  CYS  43           HB2      CYS  43  -7.556   0.334  -8.464
  336    HB3  CYS  43           HB1      CYS  43  -9.186   0.909  -8.819
  337    H    SER  44           HN       SER  44  -6.491  -2.091  -9.401
  338    HA   SER  44           HA       SER  44  -5.014  -2.605 -11.148
  339    HB2  SER  44           HB2      SER  44  -5.734  -2.698 -13.330
  340    HB3  SER  44           HB1      SER  44  -7.288  -2.715 -12.509
  341    HG   SER  44           HG       SER  44  -5.944  -0.488 -13.648
  342    H    ASP  45           HN       ASP  45  -3.807  -1.008  -9.915
  343    HA   ASP  45           HA       ASP  45  -3.154   1.330 -11.598
  344    HB2  ASP  45           HB2      ASP  45  -4.504   1.463  -9.019
  345    HB3  ASP  45           HB1      ASP  45  -2.957   2.309  -8.981
  346    HA   PRO  46           HA       PRO  46   0.971   0.196 -10.621
  347    HB2  PRO  46           HB2      PRO  46   2.149   2.650 -10.041
  348    HB3  PRO  46           HB1      PRO  46   1.871   2.017 -11.672
  349    HG2  PRO  46           HG2      PRO  46   0.304   4.006 -10.124
  350    HG3  PRO  46           HG1      PRO  46   0.645   3.934 -11.861
  351    HD2  PRO  46           HD2      PRO  46  -1.766   3.212 -10.821
  352    HD3  PRO  46           HD1      PRO  46  -1.092   2.452 -12.281
  353    H    VAL  47           HN       VAL  47   0.213  -0.877  -8.579
  354    HA   VAL  47           HA       VAL  47  -0.033   0.332  -6.064
  355    HB   VAL  47           HB       VAL  47   1.183  -2.325  -6.840
  356   HG11  VAL  47          HG11      VAL  47   0.830  -2.987  -4.496
  357   HG12  VAL  47          HG12      VAL  47   0.370  -1.332  -4.098
  358   HG13  VAL  47          HG13      VAL  47   2.018  -1.697  -4.610
  359   HG21  VAL  47          HG21      VAL  47  -1.494  -1.616  -5.620
  360   HG22  VAL  47          HG22      VAL  47  -1.000  -3.172  -6.277
  361   HG23  VAL  47          HG23      VAL  47  -1.235  -1.794  -7.351
  362    H    GLN  48           HN       GLN  48   1.379   1.999  -5.545
  363    HA   GLN  48           HA       GLN  48   4.198   1.925  -6.130
  364    HB2  GLN  48           HB2      GLN  48   2.907   4.038  -5.809
  365    HB3  GLN  48           HB1      GLN  48   2.753   3.646  -4.097
  366    HG2  GLN  48           HG2      GLN  48   4.769   4.574  -3.729
  367    HG3  GLN  48           HG1      GLN  48   5.500   3.361  -4.783
  368   HE21  GLN  48          HE21      GLN  48   3.828   6.547  -4.926
  369   HE22  GLN  48          HE22      GLN  48   4.630   7.071  -6.328
  370    H    ARG  49           HN       ARG  49   2.510   1.857  -2.963
  371    HA   ARG  49           HA       ARG  49   4.419  -0.226  -2.115
  372    HB2  ARG  49           HB2      ARG  49   4.272   1.701   0.019
  373    HB3  ARG  49           HB1      ARG  49   5.697   1.044  -0.778
  374    HG2  ARG  49           HG2      ARG  49   5.558   2.720  -2.530
  375    HG3  ARG  49           HG1      ARG  49   4.034   3.330  -1.878
  376    HD2  ARG  49           HD2      ARG  49   5.146   3.996   0.188
  377    HD3  ARG  49           HD1      ARG  49   6.667   3.311  -0.383
  378    HE   ARG  49           HE       ARG  49   5.592   5.896  -1.132
  379   HH11  ARG  49          HH21      ARG  49   7.388   3.147  -2.184
  380   HH12  ARG  49          HH22      ARG  49   8.293   4.026  -3.371
  381   HH21  ARG  49          HH11      ARG  49   6.765   7.060  -2.674
  382   HH22  ARG  49          HH12      ARG  49   7.940   6.242  -3.647
  383    H    ILE  50           HN       ILE  50   3.295  -1.730  -1.048
  384    HA   ILE  50           HA       ILE  50   0.592  -1.163  -0.131
  385    HB   ILE  50           HB       ILE  50   2.125  -3.691   0.429
  386   HG12  ILE  50          HG12      ILE  50   0.768  -2.852  -2.145
  387   HG13  ILE  50          HG11      ILE  50   2.477  -3.195  -1.924
  388   HG21  ILE  50          HG21      ILE  50  -0.670  -3.814  -0.432
  389   HG22  ILE  50          HG22      ILE  50  -0.441  -2.876   1.043
  390   HG23  ILE  50          HG23      ILE  50   0.107  -4.548   0.967
  391   HD11  ILE  50          HD11      ILE  50   1.922  -5.539  -1.327
  392   HD12  ILE  50          HD12      ILE  50   1.360  -5.125  -2.946
  393   HD13  ILE  50          HD13      ILE  50   0.217  -5.197  -1.613
  394    H    GLU  51           HN       GLU  51  -0.074  -1.234   2.002
  395    HA   GLU  51           HA       GLU  51   2.035  -1.342   4.094
  396    HB2  GLU  51           HB2      GLU  51  -0.025   0.863   4.001
  397    HB3  GLU  51           HB1      GLU  51   1.376   0.738   5.067
  398    HG2  GLU  51           HG2      GLU  51   2.853   0.799   3.045
  399    HG3  GLU  51           HG1      GLU  51   1.422   1.093   2.058
  400    H    GLN  52           HN       GLN  52   1.132  -1.528   6.286
  401    HA   GLN  52           HA       GLN  52  -1.298  -3.226   6.238
  402    HB2  GLN  52           HB2      GLN  52   1.082  -2.980   8.028
  403    HB3  GLN  52           HB1      GLN  52  -0.425  -3.581   8.721
  404    HG2  GLN  52           HG2      GLN  52  -0.545  -5.320   6.988
  405    HG3  GLN  52           HG1      GLN  52   0.942  -4.708   6.265
  406   HE21  GLN  52          HE21      GLN  52  -0.276  -6.917   8.570
  407   HE22  GLN  52          HE22      GLN  52   1.184  -7.255   9.366
  408    H    CYS  53           HN       CYS  53  -3.163  -2.624   7.245
  409    HA   CYS  53           HA       CYS  53  -3.100  -0.344   9.149
  410    HB2  CYS  53           HB2      CYS  53  -4.279  -0.354   6.477
  411    HB3  CYS  53           HB1      CYS  53  -5.464   0.025   7.727
  412    H    THR  54           HN       THR  54  -4.966  -0.318  10.584
  413    HA   THR  54           HA       THR  54  -6.171  -3.016  10.894
  414    HB   THR  54           HB       THR  54  -6.871  -1.485  13.115
  415    HG1  THR  54           HG1      THR  54  -4.190  -0.975  12.347
  416   HG21  THR  54          HG21      THR  54  -6.164  -3.789  13.234
  417   HG22  THR  54          HG22      THR  54  -5.058  -2.838  14.223
  418   HG23  THR  54          HG23      THR  54  -4.563  -3.381  12.620
  419    H    ARG  55           HN       ARG  55  -8.470  -3.179  11.377
  420    HA   ARG  55           HA       ARG  55 -10.178  -1.747   9.665
  421    HB2  ARG  55           HB2      ARG  55 -11.916  -2.424  11.622
  422    HB3  ARG  55           HB1      ARG  55 -11.290  -3.590  10.456
  423    HG2  ARG  55           HG2      ARG  55  -9.661  -4.405  11.975
  424    HG3  ARG  55           HG1      ARG  55  -9.850  -3.018  13.047
  425    HD2  ARG  55           HD2      ARG  55 -12.219  -4.779  12.506
  426    HD3  ARG  55           HD1      ARG  55 -10.995  -5.312  13.657
  427    HE   ARG  55           HE       ARG  55 -11.900  -2.582  14.141
  428   HH11  ARG  55          HH21      ARG  55 -12.459  -5.951  14.615
  429   HH12  ARG  55          HH22      ARG  55 -13.364  -5.730  16.076
  430   HH21  ARG  55          HH11      ARG  55 -13.077  -2.274  16.045
  431   HH22  ARG  55          HH12      ARG  55 -13.713  -3.649  16.886
  432    H    GLY  56           HN       GLY  56  -9.814  -1.210  13.181
  433    HA2  GLY  56           HA2      GLY  56 -11.403   1.179  13.156
  434    HA3  GLY  56           HA1      GLY  56 -10.270   0.723  14.430
  435    H    SER  57           HN       SER  57  -8.691   0.691  11.437
  436    HA   SER  57           HA       SER  57  -7.477   3.338  12.068
  437    HB2  SER  57           HB2      SER  57  -6.288   0.913  11.602
  438    HB3  SER  57           HB1      SER  57  -6.213   1.659  10.008
  439    HG   SER  57           HG       SER  57  -5.510   3.102  12.325
  440    H    LEU  58           HN       LEU  58  -9.668   1.912   9.952
  441    HA   LEU  58           HA       LEU  58  -9.272   4.130   7.985
  442    HB2  LEU  58           HB2      LEU  58 -10.159   1.319   7.305
  443    HB3  LEU  58           HB1      LEU  58  -9.824   2.624   6.173
  444    HG   LEU  58           HG       LEU  58  -7.734   1.517   8.074
  445   HD11  LEU  58          HD11      LEU  58  -8.835   0.370   5.636
  446   HD12  LEU  58          HD12      LEU  58  -7.676  -0.317   6.773
  447   HD13  LEU  58          HD13      LEU  58  -7.116   0.720   5.462
  448   HD21  LEU  58          HD21      LEU  58  -6.236   2.533   6.252
  449   HD22  LEU  58          HD22      LEU  58  -7.106   3.684   7.262
  450   HD23  LEU  58          HD23      LEU  58  -7.685   3.326   5.636
  451    H    PHE  59           HN       PHE  59 -11.312   4.467   6.649
  452    HA   PHE  59           HA       PHE  59 -13.740   3.997   8.332
  453    HB2  PHE  59           HB2      PHE  59 -13.088   6.428   6.644
  454    HB3  PHE  59           HB1      PHE  59 -14.563   6.192   7.584
  455    HD1  PHE  59           HD2      PHE  59 -10.846   6.392   7.890
  456    HD2  PHE  59           HD1      PHE  59 -14.637   6.749   9.876
  457    HE1  PHE  59           HE2      PHE  59  -9.705   7.282   9.904
  458    HE2  PHE  59           HE1      PHE  59 -13.498   7.641  11.891
  459    HZ   PHE  59           HZ       PHE  59 -11.032   7.907  11.905
  460    H    MET  60           HN       MET  60 -15.224   2.780   7.278
  461    HA   MET  60           HA       MET  60 -14.947   2.333   4.380
  462    HB2  MET  60           HB2      MET  60 -16.272   0.987   6.647
  463    HB3  MET  60           HB1      MET  60 -17.167   0.921   5.128
  464    HG2  MET  60           HG2      MET  60 -15.278  -0.049   3.977
  465    HG3  MET  60           HG1      MET  60 -14.236   0.198   5.379
  466    HE1  MET  60           HE1      MET  60 -14.465  -3.573   5.137
  467    HE2  MET  60           HE2      MET  60 -13.530  -2.446   6.117
  468    HE3  MET  60           HE3      MET  60 -13.795  -2.108   4.409
  469    H    CYS  61           HN       CYS  61 -16.503   2.890   2.838
  470    HA   CYS  61           HA       CYS  61 -18.314   5.097   3.610
  471    HB2  CYS  61           HB2      CYS  61 -16.920   5.341   1.585
  472    HB3  CYS  61           HB1      CYS  61 -17.684   3.914   0.887
  473    H    SER  62           HN       SER  62 -20.563   4.989   3.443
  474    HA   SER  62           HA       SER  62 -21.686   2.248   3.283
  475    HB2  SER  62           HB2      SER  62 -22.773   4.877   4.295
  476    HB3  SER  62           HB1      SER  62 -23.785   3.448   4.112
  477    HG   SER  62           HG       SER  62 -22.591   3.912   6.213
  478    H    ILE  63           HN       ILE  63 -22.578   5.495   2.090
  479    HA   ILE  63           HA       ILE  63 -24.533   4.811   0.248
  480    HB   ILE  63           HB       ILE  63 -22.335   6.880   0.034
  481   HG12  ILE  63          HG12      ILE  63 -25.300   7.167   0.595
  482   HG13  ILE  63          HG11      ILE  63 -24.085   7.021   1.863
  483   HG21  ILE  63          HG21      ILE  63 -22.990   6.544  -2.224
  484   HG22  ILE  63          HG22      ILE  63 -23.968   7.907  -1.681
  485   HG23  ILE  63          HG23      ILE  63 -24.679   6.297  -1.782
  486   HD11  ILE  63          HD11      ILE  63 -23.410   9.163   1.608
  487   HD12  ILE  63          HD12      ILE  63 -24.896   9.395   0.689
  488   HD13  ILE  63          HD13      ILE  63 -23.389   9.031  -0.151
  489    H    VAL  64           HN       VAL  64 -24.588   3.731  -1.680
  490    HA   VAL  64           HA       VAL  64 -23.811   2.264  -3.350
  491    HB   VAL  64           HB       VAL  64 -21.796   4.525  -3.479
  492   HG11  VAL  64          HG11      VAL  64 -20.627   3.049  -4.766
  493   HG12  VAL  64          HG12      VAL  64 -21.852   3.428  -5.977
  494   HG13  VAL  64          HG13      VAL  64 -22.016   1.984  -4.979
  495   HG21  VAL  64          HG21      VAL  64 -24.172   5.113  -3.907
  496   HG22  VAL  64          HG22      VAL  64 -24.244   3.862  -5.149
  497   HG23  VAL  64          HG23      VAL  64 -23.192   5.261  -5.366
  498    H    GLN  65           HN       GLN  65 -23.236   0.695  -1.581
  499    HA   GLN  65           HA       GLN  65 -20.749   0.447  -0.334
  500    HB2  GLN  65           HB2      GLN  65 -22.759  -1.541  -1.330
  501    HB3  GLN  65           HB1      GLN  65 -21.199  -2.132  -0.758
  502    HG2  GLN  65           HG2      GLN  65 -21.540  -1.311   1.416
  503    HG3  GLN  65           HG1      GLN  65 -22.780  -0.171   0.892
  504   HE21  GLN  65          HE21      GLN  65 -22.217  -3.440   1.975
  505   HE22  GLN  65          HE22      GLN  65 -23.831  -3.959   1.893
  506    H    GLY  66           HN       GLY  66 -21.398   0.406  -3.679
  507    HA2  GLY  66           HA2      GLY  66 -19.396  -1.365  -4.651
  508    HA3  GLY  66           HA1      GLY  66 -20.006   0.039  -5.531
  509    H    CYS  67           HN       CYS  67 -19.200   2.171  -4.072
  510    HA   CYS  67           HA       CYS  67 -16.484   2.510  -4.736
  511    HB2  CYS  67           HB2      CYS  67 -16.544   4.423  -3.075
  512    HB3  CYS  67           HB1      CYS  67 -17.840   4.449  -4.271
  513    H    LYS  68           HN       LYS  68 -17.768   2.042  -1.418
  514    HA   LYS  68           HA       LYS  68 -16.680   1.219   0.498
  515    HB2  LYS  68           HB2      LYS  68 -16.957  -0.805  -1.138
  516    HB3  LYS  68           HB1      LYS  68 -15.211  -0.660  -1.334
  517    HG2  LYS  68           HG2      LYS  68 -15.240  -2.081   0.478
  518    HG3  LYS  68           HG1      LYS  68 -15.312  -0.543   1.339
  519    HD2  LYS  68           HD2      LYS  68 -17.096  -1.680   2.312
  520    HD3  LYS  68           HD1      LYS  68 -17.913  -0.819   1.008
  521    HE2  LYS  68           HE2      LYS  68 -18.719  -2.953   0.625
  522    HE3  LYS  68           HE1      LYS  68 -17.262  -3.002  -0.367
  523    HZ1  LYS  68           HZ1      LYS  68 -16.231  -3.742   1.932
  524    HZ2  LYS  68           HZ2      LYS  68 -16.930  -4.859   0.859
  525    HZ3  LYS  68           HZ3      LYS  68 -17.815  -4.291   2.193
  526    H    ARG  69           HN       ARG  69 -15.148   3.109  -1.560
  527    HA   ARG  69           HA       ARG  69 -12.364   2.601  -1.222
  528    HB2  ARG  69           HB2      ARG  69 -13.808   5.253  -1.528
  529    HB3  ARG  69           HB1      ARG  69 -12.073   5.009  -1.741
  530    HG2  ARG  69           HG2      ARG  69 -12.476   3.469  -3.591
  531    HG3  ARG  69           HG1      ARG  69 -14.218   3.584  -3.342
  532    HD2  ARG  69           HD2      ARG  69 -14.254   5.885  -4.000
  533    HD3  ARG  69           HD1      ARG  69 -12.494   5.997  -3.943
  534    HE   ARG  69           HE       ARG  69 -14.076   4.866  -6.133
  535   HH11  ARG  69          HH21      ARG  69 -11.060   5.021  -4.470
  536   HH12  ARG  69          HH22      ARG  69 -10.127   4.522  -5.841
  537   HH21  ARG  69          HH11      ARG  69 -12.875   4.213  -7.933
  538   HH22  ARG  69          HH12      ARG  69 -11.154   4.063  -7.801
  539    H    THR  70           HN       THR  70 -11.463   2.324   0.775
  540    HA   THR  70           HA       THR  70 -12.536   3.712   3.116
  541    HB   THR  70           HB       THR  70 -10.103   2.600   3.863
  542    HG1  THR  70           HG1      THR  70  -9.745   1.552   1.990
  543   HG21  THR  70          HG21      THR  70 -11.536   0.752   4.746
  544   HG22  THR  70          HG22      THR  70 -12.878   1.389   3.795
  545   HG23  THR  70          HG23      THR  70 -12.181   2.356   5.095
  546    H    TYR  71           HN       TYR  71 -10.738   4.741   4.607
  547    HA   TYR  71           HA       TYR  71  -8.620   6.151   3.168
  548    HB2  TYR  71           HB2      TYR  71 -11.024   7.624   4.272
  549    HB3  TYR  71           HB1      TYR  71  -9.498   8.413   3.885
  550    HD1  TYR  71           HD2      TYR  71 -12.440   6.670   2.497
  551    HD2  TYR  71           HD1      TYR  71  -8.759   8.685   1.586
  552    HE1  TYR  71           HE2      TYR  71 -13.110   6.818   0.112
  553    HE2  TYR  71           HE1      TYR  71  -9.427   8.831  -0.797
  554    HH   TYR  71           HH       TYR  71 -11.981   8.812  -1.991
  555    H    LEU  72           HN       LEU  72  -8.136   8.136   5.065
  556    HA   LEU  72           HA       LEU  72  -7.654   6.539   7.536
  557    HB2  LEU  72           HB2      LEU  72  -5.925   8.853   7.250
  558    HB3  LEU  72           HB1      LEU  72  -5.492   7.162   7.487
  559    HG   LEU  72           HG       LEU  72  -6.235   8.420   4.825
  560   HD11  LEU  72          HD11      LEU  72  -4.094   9.145   4.895
  561   HD12  LEU  72          HD12      LEU  72  -3.645   7.452   4.687
  562   HD13  LEU  72          HD13      LEU  72  -3.719   8.152   6.304
  563   HD21  LEU  72          HD21      LEU  72  -6.484   6.301   4.093
  564   HD22  LEU  72          HD22      LEU  72  -6.196   5.698   5.725
  565   HD23  LEU  72          HD23      LEU  72  -4.843   5.929   4.619
  566    H    SER  73           HN       SER  73  -9.311   9.235   6.298
  567    HA   SER  73           HA       SER  73  -9.891  10.120   9.066
  568    HB2  SER  73           HB2      SER  73  -8.943  12.000   6.886
  569    HB3  SER  73           HB1      SER  73  -9.556  12.498   8.461
  570    HG   SER  73           HG       SER  73  -7.832  11.051   9.297
  571    H    GLN  74           HN       GLN  74 -12.050  10.430   9.269
  572    HA   GLN  74           HA       GLN  74 -13.953   9.900   7.316
  573    HB2  GLN  74           HB2      GLN  74 -14.202  10.461   9.879
  574    HB3  GLN  74           HB1      GLN  74 -14.509  12.095   9.289
  575    HG2  GLN  74           HG2      GLN  74 -16.664  11.262   9.237
  576    HG3  GLN  74           HG1      GLN  74 -16.134  10.800   7.619
  577   HE21  GLN  74          HE21      GLN  74 -15.228   8.509   7.422
  578   HE22  GLN  74          HE22      GLN  74 -15.862   7.308   8.439
  579    H    ARG  75           HN       ARG  75 -11.923  12.658   7.562
  580    HA   ARG  75           HA       ARG  75 -13.591  14.501   6.067
  581    HB2  ARG  75           HB2      ARG  75 -11.830  15.355   7.514
  582    HB3  ARG  75           HB1      ARG  75 -10.611  14.449   6.619
  583    HG2  ARG  75           HG2      ARG  75 -12.260  16.158   4.898
  584    HG3  ARG  75           HG1      ARG  75 -11.348  17.062   6.106
  585    HD2  ARG  75           HD2      ARG  75 -10.112  14.959   4.312
  586    HD3  ARG  75           HD1      ARG  75 -10.101  16.683   3.944
  587    HE   ARG  75           HE       ARG  75  -9.061  16.391   6.557
  588   HH11  ARG  75          HH21      ARG  75  -8.375  15.478   3.304
  589   HH12  ARG  75          HH22      ARG  75  -6.657  15.461   3.531
  590   HH21  ARG  75          HH11      ARG  75  -6.824  16.374   6.872
  591   HH22  ARG  75          HH12      ARG  75  -5.780  15.969   5.551
  592    H    ASP  76           HN       ASP  76 -11.131  12.115   5.250
  593    HA   ASP  76           HA       ASP  76 -11.059  12.947   2.439
  594    HB2  ASP  76           HB2      ASP  76  -9.776  10.738   4.039
  595    HB3  ASP  76           HB1      ASP  76  -9.739  10.702   2.276
  596    H    LEU  77           HN       LEU  77 -12.528  10.454   4.432
  597    HA   LEU  77           HA       LEU  77 -13.648   8.996   2.207
  598    HB2  LEU  77           HB2      LEU  77 -13.330   7.847   4.318
  599    HB3  LEU  77           HB1      LEU  77 -14.273   9.064   5.168
  600    HG   LEU  77           HG       LEU  77 -15.716   7.867   2.913
  601   HD11  LEU  77          HD11      LEU  77 -16.102   5.716   4.012
  602   HD12  LEU  77          HD12      LEU  77 -14.963   6.142   5.284
  603   HD13  LEU  77          HD13      LEU  77 -14.393   5.903   3.631
  604   HD21  LEU  77          HD21      LEU  77 -17.509   7.897   4.504
  605   HD22  LEU  77          HD22      LEU  77 -16.571   9.359   4.807
  606   HD23  LEU  77          HD23      LEU  77 -16.389   7.959   5.864
  607    H    GLN  78           HN       GLN  78 -14.576  11.628   4.325
  608    HA   GLN  78           HA       GLN  78 -17.310  11.724   3.393
  609    HB2  GLN  78           HB2      GLN  78 -16.779  12.782   5.526
  610    HB3  GLN  78           HB1      GLN  78 -15.569  13.804   4.754
  611    HG2  GLN  78           HG2      GLN  78 -17.733  14.991   5.191
  612    HG3  GLN  78           HG1      GLN  78 -17.288  14.973   3.487
  613   HE21  GLN  78          HE21      GLN  78 -18.826  14.121   2.054
  614   HE22  GLN  78          HE22      GLN  78 -20.194  13.234   2.527
  615    H    ALA  79           HN       ALA  79 -14.227  12.936   2.436
  616    HA   ALA  79           HA       ALA  79 -15.246  14.773   0.438
  617    HB1  ALA  79           HB1      ALA  79 -12.943  14.959   1.400
  618    HB2  ALA  79           HB2      ALA  79 -12.926  14.844  -0.359
  619    HB3  ALA  79           HB3      ALA  79 -12.527  13.432   0.621
  620    H    HIS  80           HN       HIS  80 -14.777  11.347   0.716
  621    HA   HIS  80           HA       HIS  80 -14.627  10.899  -2.170
  622    HB2  HIS  80           HB2      HIS  80 -13.847   8.985  -1.219
  623    HB3  HIS  80           HB1      HIS  80 -14.796   9.214   0.241
  624    HD1  HIS  80           HD1      HIS  80 -15.554   8.439  -3.416
  625    HD2  HIS  80           HD2      HIS  80 -16.799   7.364   0.407
  626    HE1  HIS  80           HE1      HIS  80 -17.351   6.679  -3.721
  627    H    ILE  81           HN       ILE  81 -17.142  10.920   0.279
  628    HA   ILE  81           HA       ILE  81 -19.351  10.051  -1.263
  629    HB   ILE  81           HB       ILE  81 -19.433  12.279   0.774
  630   HG12  ILE  81          HG12      ILE  81 -18.111  10.477   1.653
  631   HG13  ILE  81          HG11      ILE  81 -19.646  10.547   2.503
  632   HG21  ILE  81          HG21      ILE  81 -21.665  11.916   0.984
  633   HG22  ILE  81          HG22      ILE  81 -21.538  10.192   0.671
  634   HG23  ILE  81          HG23      ILE  81 -21.497  11.335  -0.668
  635   HD11  ILE  81          HD11      ILE  81 -19.248   8.229   2.052
  636   HD12  ILE  81          HD12      ILE  81 -18.778   8.562   0.390
  637   HD13  ILE  81          HD13      ILE  81 -20.459   8.741   0.879
  638    H    ASN  82           HN       ASN  82 -18.444  13.380  -0.523
  639    HA   ASN  82           HA       ASN  82 -20.288  14.463  -2.440
  640    HB2  ASN  82           HB2      ASN  82 -18.860  16.570  -2.177
  641    HB3  ASN  82           HB1      ASN  82 -19.627  15.943  -0.719
  642   HD21  ASN  82          HD21      ASN  82 -18.127  16.414   0.901
  643   HD22  ASN  82          HD22      ASN  82 -16.496  15.955   0.859
  644    H    HIS  83           HN       HIS  83 -17.122  13.112  -2.744
  645    HA   HIS  83           HA       HIS  83 -16.675  14.511  -5.285
  646    HB2  HIS  83           HB2      HIS  83 -15.088  12.416  -3.828
  647    HB3  HIS  83           HB1      HIS  83 -14.651  12.982  -5.433
  648    HD1  HIS  83           HD1      HIS  83 -12.473  13.787  -3.843
  649    HD2  HIS  83           HD2      HIS  83 -16.020  15.965  -3.562
  650    HE1  HIS  83           HE1      HIS  83 -11.861  16.033  -2.838
  651    HE2  HIS  83           HE2      HIS  83 -14.012  17.365  -2.663
  652    H    ARG  84           HN       ARG  84 -18.320  11.641  -4.329
  653    HA   ARG  84           HA       ARG  84 -18.193  10.681  -7.153
  654    HB2  ARG  84           HB2      ARG  84 -18.515   8.984  -4.684
  655    HB3  ARG  84           HB1      ARG  84 -18.356   8.401  -6.339
  656    HG2  ARG  84           HG2      ARG  84 -16.262  10.052  -4.887
  657    HG3  ARG  84           HG1      ARG  84 -16.208   8.301  -5.058
  658    HD2  ARG  84           HD2      ARG  84 -16.583   9.060  -7.660
  659    HD3  ARG  84           HD1      ARG  84 -15.620  10.402  -7.047
  660    HE   ARG  84           HE       ARG  84 -14.702   7.646  -7.396
  661   HH11  ARG  84          HH21      ARG  84 -14.332  10.675  -5.789
  662   HH12  ARG  84          HH22      ARG  84 -12.658  10.424  -5.420
  663   HH21  ARG  84          HH11      ARG  84 -12.518   7.303  -6.922
  664   HH22  ARG  84          HH12      ARG  84 -11.631   8.516  -6.061
  665    H    HIS  85           HN       HIS  85 -20.292  10.866  -4.289
  666    HA   HIS  85           HA       HIS  85 -22.594  10.150  -6.018
  667    HB2  HIS  85           HB2      HIS  85 -22.819  10.762  -3.089
  668    HB3  HIS  85           HB1      HIS  85 -23.779   9.654  -4.069
  669    HD1  HIS  85           HD1      HIS  85 -21.746   7.856  -5.332
  670    HD2  HIS  85           HD2      HIS  85 -21.382   9.151  -1.393
  671    HE1  HIS  85           HE1      HIS  85 -20.230   6.190  -4.171
  672    H    MET  86           HN       MET  86 -21.498  12.669  -3.804
  673    HA   MET  86           HA       MET  86 -22.310  14.870  -3.493
  674    HB2  MET  86           HB2      MET  86 -20.949  14.595  -5.782
  675    HB3  MET  86           HB1      MET  86 -22.502  15.087  -6.457
  676    HG2  MET  86           HG2      MET  86 -22.385  16.941  -4.580
  677    HG3  MET  86           HG1      MET  86 -20.654  16.607  -4.650
  678    HE1  MET  86           HE1      MET  86 -19.678  19.139  -7.037
  679    HE2  MET  86           HE2      MET  86 -19.111  17.690  -6.210
  680    HE3  MET  86           HE3      MET  86 -20.023  18.904  -5.318
  681    H    ARG  87           HN       ARG  87 -24.411  12.814  -3.672
  682    HA   ARG  87           HA       ARG  87 -26.602  14.301  -5.021
  683    HB2  ARG  87           HB2      ARG  87 -26.032  11.623  -5.016
  684    HB3  ARG  87           HB1      ARG  87 -27.218  11.727  -3.715
  685    HG2  ARG  87           HG2      ARG  87 -28.773  12.913  -5.221
  686    HG3  ARG  87           HG1      ARG  87 -27.590  12.806  -6.526
  687    HD2  ARG  87           HD2      ARG  87 -29.396  11.016  -6.556
  688    HD3  ARG  87           HD1      ARG  87 -27.738  10.414  -6.585
  689    HE   ARG  87           HE       ARG  87 -28.074   9.515  -4.417
  690   HH11  ARG  87          HH21      ARG  87 -30.555  11.721  -5.347
  691   HH12  ARG  87          HH22      ARG  87 -31.579  11.342  -4.003
  692   HH21  ARG  87          HH11      ARG  87 -29.396   9.008  -2.656
  693   HH22  ARG  87          HH12      ARG  87 -30.923   9.807  -2.478
  694    H    ALA  88           HN       ALA  88 -25.215  14.804  -2.285
  695    HA   ALA  88           HA       ALA  88 -26.868  14.254  -0.115
  696    HB1  ALA  88           HB1      ALA  88 -26.206  16.700   0.605
  697    HB2  ALA  88           HB2      ALA  88 -25.196  16.641  -0.839
  698    HB3  ALA  88           HB3      ALA  88 -24.956  15.465   0.453
  699    H    GLY  89           HN       GLY  89 -28.714  15.294   0.802
  700    HA2  GLY  89           HA2      GLY  89 -30.555  16.835   0.795
  701    HA3  GLY  89           HA1      GLY  89 -30.087  17.349  -0.826
  Start of MODEL    5
    1    H1   VAL   1           HT1      VAL   1 -12.094  -6.031   7.691
    2    H2   VAL   1           HT2      VAL   1 -13.108  -5.736   9.022
    3    H3   VAL   1           HT3      VAL   1 -13.674  -5.472   7.442
    4    HA   VAL   1           HA       VAL   1 -14.195  -7.671   8.833
    5    HB   VAL   1           HB       VAL   1 -15.051  -6.874   6.561
    6   HG11  VAL   1          HG11      VAL   1 -12.506  -7.132   5.741
    7   HG12  VAL   1          HG12      VAL   1 -13.873  -7.263   4.633
    8   HG13  VAL   1          HG13      VAL   1 -13.111  -8.721   5.269
    9   HG21  VAL   1          HG21      VAL   1 -16.144  -8.848   6.402
   10   HG22  VAL   1          HG22      VAL   1 -15.128  -9.416   7.723
   11   HG23  VAL   1          HG23      VAL   1 -14.657  -9.723   6.053
   12    H    HIS   2           HN       HIS   2 -13.448  -9.957   7.378
   13    HA   HIS   2           HA       HIS   2 -10.495 -10.101   7.557
   14    HB2  HIS   2           HB2      HIS   2 -10.583 -12.090   8.984
   15    HB3  HIS   2           HB1      HIS   2 -11.321 -10.709   9.794
   16    HD1  HIS   2           HD1      HIS   2 -12.305 -13.231  10.919
   17    HD2  HIS   2           HD2      HIS   2 -14.000 -11.671   7.441
   18    HE1  HIS   2           HE1      HIS   2 -14.604 -14.275  10.710
   19    HE2  HIS   2           HE2      HIS   2 -15.643 -13.334   8.596
   20    H    PHE   3           HN       PHE   3 -11.781 -10.124   5.215
   21    HA   PHE   3           HA       PHE   3 -11.218 -12.793   4.186
   22    HB2  PHE   3           HB2      PHE   3 -13.767 -12.516   5.000
   23    HB3  PHE   3           HB1      PHE   3 -13.911 -11.789   3.399
   24    HD1  PHE   3           HD2      PHE   3 -12.560 -14.817   5.139
   25    HD2  PHE   3           HD1      PHE   3 -14.117 -13.154   1.497
   26    HE1  PHE   3           HE2      PHE   3 -12.567 -17.074   4.111
   27    HE2  PHE   3           HE1      PHE   3 -14.123 -15.412   0.469
   28    HZ   PHE   3           HZ       PHE   3 -13.348 -17.372   1.777
   29    H    CYS   4           HN       CYS   4  -9.754 -11.956   2.729
   30    HA   CYS   4           HA       CYS   4  -9.735  -9.519   1.427
   31    HB2  CYS   4           HB2      CYS   4  -7.972 -11.294   1.238
   32    HB3  CYS   4           HB1      CYS   4  -9.009 -12.139   0.093
   33    H    ASP   5           HN       ASP   5 -10.632  -8.678  -0.474
   34    HA   ASP   5           HA       ASP   5 -13.160  -9.948  -1.299
   35    HB2  ASP   5           HB2      ASP   5 -13.827  -7.807  -1.487
   36    HB3  ASP   5           HB1      ASP   5 -12.197  -7.260  -1.090
   37    H    LYS   6           HN       LYS   6  -9.925  -9.331  -2.530
   38    HA   LYS   6           HA       LYS   6 -10.748 -10.166  -5.246
   39    HB2  LYS   6           HB2      LYS   6  -8.635  -8.555  -4.145
   40    HB3  LYS   6           HB1      LYS   6  -7.940  -9.860  -5.106
   41    HG2  LYS   6           HG2      LYS   6 -10.174  -8.056  -6.078
   42    HG3  LYS   6           HG1      LYS   6  -8.468  -7.791  -6.436
   43    HD2  LYS   6           HD2      LYS   6  -8.489  -9.353  -8.060
   44    HD3  LYS   6           HD1      LYS   6  -9.227 -10.540  -6.985
   45    HE2  LYS   6           HE2      LYS   6 -11.446  -9.557  -7.408
   46    HE3  LYS   6           HE1      LYS   6 -10.715  -8.350  -8.466
   47    HZ1  LYS   6           HZ1      LYS   6 -11.529 -10.945  -9.110
   48    HZ2  LYS   6           HZ2      LYS   6  -9.837 -10.887  -9.265
   49    HZ3  LYS   6           HZ3      LYS   6 -10.809  -9.790 -10.125
   50    H    CYS   7           HN       CYS   7  -8.718 -11.287  -2.561
   51    HA   CYS   7           HA       CYS   7  -8.100 -13.760  -4.058
   52    HB2  CYS   7           HB2      CYS   7  -7.172 -13.279  -1.257
   53    HB3  CYS   7           HB1      CYS   7  -6.339 -14.080  -2.590
   54    H    GLY   8           HN       GLY   8 -10.037 -12.644  -1.352
   55    HA2  GLY   8           HA2      GLY   8 -11.866 -13.793  -0.369
   56    HA3  GLY   8           HA1      GLY   8 -11.456 -15.209  -1.336
   57    H    LEU   9           HN       LEU   9  -8.664 -14.119   0.151
   58    HA   LEU   9           HA       LEU   9  -8.849 -16.288   2.164
   59    HB2  LEU   9           HB2      LEU   9  -6.663 -14.832   0.777
   60    HB3  LEU   9           HB1      LEU   9  -6.333 -15.290   2.448
   61    HG   LEU   9           HG       LEU   9  -6.934 -17.626   1.936
   62   HD11  LEU   9          HD11      LEU   9  -7.031 -18.027  -0.688
   63   HD12  LEU   9          HD12      LEU   9  -7.647 -16.374  -0.691
   64   HD13  LEU   9          HD13      LEU   9  -8.490 -17.628   0.217
   65   HD21  LEU   9          HD21      LEU   9  -4.881 -16.309   0.139
   66   HD22  LEU   9          HD22      LEU   9  -5.046 -18.059   0.278
   67   HD23  LEU   9          HD23      LEU   9  -4.604 -17.101   1.691
   68    HA   PRO  10           HA       PRO  10  -9.571 -13.625   5.596
   69    HB2  PRO  10           HB2      PRO  10  -7.618 -14.475   7.392
   70    HB3  PRO  10           HB1      PRO  10  -9.226 -15.190   7.188
   71    HG2  PRO  10           HG2      PRO  10  -6.607 -16.105   6.146
   72    HG3  PRO  10           HG1      PRO  10  -8.019 -17.049   6.649
   73    HD2  PRO  10           HD2      PRO  10  -7.382 -16.667   4.029
   74    HD3  PRO  10           HD1      PRO  10  -9.062 -16.847   4.584
   75    H    ILE  11           HN       ILE  11  -8.957 -11.598   6.181
   76    HA   ILE  11           HA       ILE  11  -6.478 -10.541   5.059
   77    HB   ILE  11           HB       ILE  11  -8.589  -9.104   6.673
   78   HG12  ILE  11          HG12      ILE  11  -8.376  -9.531   3.690
   79   HG13  ILE  11          HG11      ILE  11  -9.563 -10.309   4.734
   80   HG21  ILE  11          HG21      ILE  11  -6.147  -8.225   5.793
   81   HG22  ILE  11          HG22      ILE  11  -7.530  -7.183   6.090
   82   HG23  ILE  11          HG23      ILE  11  -7.193  -7.758   4.459
   83   HD11  ILE  11          HD11      ILE  11 -10.899  -8.530   4.434
   84   HD12  ILE  11          HD12      ILE  11  -9.626  -7.665   3.572
   85   HD13  ILE  11          HD13      ILE  11  -9.725  -7.567   5.330
   86    H    LYS  12           HN       LYS  12  -7.907 -10.079   8.277
   87    HA   LYS  12           HA       LYS  12  -6.932 -10.039  10.400
   88    HB2  LYS  12           HB2      LYS  12  -4.365 -11.126   9.225
   89    HB3  LYS  12           HB1      LYS  12  -4.981 -11.296  10.860
   90    HG2  LYS  12           HG2      LYS  12  -6.123 -13.156  10.329
   91    HG3  LYS  12           HG1      LYS  12  -6.853 -12.403   8.919
   92    HD2  LYS  12           HD2      LYS  12  -5.453 -14.328   8.269
   93    HD3  LYS  12           HD1      LYS  12  -4.801 -12.823   7.619
   94    HE2  LYS  12           HE2      LYS  12  -3.763 -13.350  10.282
   95    HE3  LYS  12           HE1      LYS  12  -3.426 -14.693   9.189
   96    HZ1  LYS  12           HZ1      LYS  12  -2.668 -11.852   8.890
   97    HZ2  LYS  12           HZ2      LYS  12  -2.674 -12.918   7.567
   98    HZ3  LYS  12           HZ3      LYS  12  -1.661 -13.216   8.898
   99    H    VAL  13           HN       VAL  13  -5.116  -8.902   7.632
  100    HA   VAL  13           HA       VAL  13  -4.433  -6.454   9.140
  101    HB   VAL  13           HB       VAL  13  -2.342  -7.393   7.355
  102   HG11  VAL  13          HG11      VAL  13  -2.232  -5.356   8.796
  103   HG12  VAL  13          HG12      VAL  13  -0.898  -6.470   9.091
  104   HG13  VAL  13          HG13      VAL  13  -2.256  -6.405  10.213
  105   HG21  VAL  13          HG21      VAL  13  -1.354  -8.946   9.050
  106   HG22  VAL  13          HG22      VAL  13  -2.862  -9.551   8.367
  107   HG23  VAL  13          HG23      VAL  13  -2.849  -8.824   9.975
  108    H    TYR  14           HN       TYR  14  -5.148  -4.865   7.889
  109    HA   TYR  14           HA       TYR  14  -6.019  -5.233   5.186
  110    HB2  TYR  14           HB2      TYR  14  -5.708  -2.872   6.998
  111    HB3  TYR  14           HB1      TYR  14  -5.996  -2.607   5.283
  112    HD1  TYR  14           HD2      TYR  14  -7.298  -5.355   7.483
  113    HD2  TYR  14           HD1      TYR  14  -8.215  -1.860   5.173
  114    HE1  TYR  14           HE2      TYR  14  -9.714  -5.774   7.812
  115    HE2  TYR  14           HE1      TYR  14 -10.633  -2.269   5.507
  116    HH   TYR  14           HH       TYR  14 -12.046  -4.580   6.023
  117    H    GLY  15           HN       GLY  15  -4.647  -5.508   3.515
  118    HA2  GLY  15           HA2      GLY  15  -1.959  -4.331   3.564
  119    HA3  GLY  15           HA1      GLY  15  -2.628  -5.339   2.273
  120    H    ARG  16           HN       ARG  16  -2.694  -2.135   3.681
  121    HA   ARG  16           HA       ARG  16  -4.443  -0.934   1.753
  122    HB2  ARG  16           HB2      ARG  16  -3.877   0.116   3.924
  123    HB3  ARG  16           HB1      ARG  16  -2.222   0.355   3.368
  124    HG2  ARG  16           HG2      ARG  16  -2.795   2.207   2.225
  125    HG3  ARG  16           HG1      ARG  16  -4.126   1.368   1.427
  126    HD2  ARG  16           HD2      ARG  16  -5.588   1.760   3.319
  127    HD3  ARG  16           HD1      ARG  16  -4.259   2.432   4.261
  128    HE   ARG  16           HE       ARG  16  -5.820   3.860   2.289
  129   HH11  ARG  16          HH21      ARG  16  -2.689   3.449   3.675
  130   HH12  ARG  16          HH22      ARG  16  -2.183   5.073   3.344
  131   HH21  ARG  16          HH11      ARG  16  -5.178   5.986   1.860
  132   HH22  ARG  16          HH12      ARG  16  -3.591   6.508   2.315
  133    H    MET  17           HN       MET  17  -4.058  -0.176  -0.280
  134    HA   MET  17           HA       MET  17  -1.241  -0.280  -1.268
  135    HB2  MET  17           HB2      MET  17  -3.685  -0.547  -3.018
  136    HB3  MET  17           HB1      MET  17  -2.025  -1.005  -3.385
  137    HG2  MET  17           HG2      MET  17  -2.239  -2.675  -1.442
  138    HG3  MET  17           HG1      MET  17  -3.973  -2.368  -1.527
  139    HE1  MET  17           HE1      MET  17  -0.840  -3.005  -3.498
  140    HE2  MET  17           HE2      MET  17  -1.224  -4.329  -4.595
  141    HE3  MET  17           HE3      MET  17  -1.159  -4.620  -2.860
  142    H    ILE  18           HN       ILE  18  -0.452   1.557  -2.177
  143    HA   ILE  18           HA       ILE  18  -2.355   3.796  -2.701
  144    HB   ILE  18           HB       ILE  18   0.041   5.047  -2.394
  145   HG12  ILE  18          HG12      ILE  18   0.079   2.739  -0.440
  146   HG13  ILE  18          HG11      ILE  18   1.112   2.882  -1.862
  147   HG21  ILE  18          HG21      ILE  18  -2.093   5.576  -1.210
  148   HG22  ILE  18          HG22      ILE  18  -0.714   5.600  -0.112
  149   HG23  ILE  18          HG23      ILE  18  -1.805   4.215  -0.128
  150   HD11  ILE  18          HD11      ILE  18   1.233   5.340  -0.399
  151   HD12  ILE  18          HD12      ILE  18   2.537   4.200  -0.731
  152   HD13  ILE  18          HD13      ILE  18   1.541   4.006   0.712
  153    HA   PRO  19           HA       PRO  19  -1.820   5.910  -3.496
  154    HB2  PRO  19           HB2      PRO  19  -2.541   7.342  -5.667
  155    HB3  PRO  19           HB1      PRO  19  -0.871   7.326  -5.066
  156    HG2  PRO  19           HG2      PRO  19  -2.056   5.930  -7.397
  157    HG3  PRO  19           HG1      PRO  19  -0.437   6.618  -7.190
  158    HD2  PRO  19           HD2      PRO  19  -1.092   3.900  -6.948
  159    HD3  PRO  19           HD1      PRO  19   0.398   4.661  -6.358
  160    H    CYS  20           HN       CYS  20  -3.051   3.406  -5.297
  161    HA   CYS  20           HA       CYS  20  -5.658   4.183  -6.032
  162    HB2  CYS  20           HB2      CYS  20  -4.421   1.902  -6.327
  163    HB3  CYS  20           HB1      CYS  20  -5.119   1.510  -4.756
  164    H    LYS  21           HN       LYS  21  -4.365   3.226  -2.891
  165    HA   LYS  21           HA       LYS  21  -5.188   3.725  -0.747
  166    HB2  LYS  21           HB2      LYS  21  -6.308   5.713  -2.200
  167    HB3  LYS  21           HB1      LYS  21  -7.763   4.823  -1.746
  168    HG2  LYS  21           HG2      LYS  21  -6.982   4.877   0.636
  169    HG3  LYS  21           HG1      LYS  21  -5.648   5.912   0.128
  170    HD2  LYS  21           HD2      LYS  21  -8.038   7.013  -0.965
  171    HD3  LYS  21           HD1      LYS  21  -8.346   6.667   0.737
  172    HE2  LYS  21           HE2      LYS  21  -5.944   8.200  -0.298
  173    HE3  LYS  21           HE1      LYS  21  -7.390   8.943   0.385
  174    HZ1  LYS  21           HZ1      LYS  21  -6.014   8.798   2.201
  175    HZ2  LYS  21           HZ2      LYS  21  -5.331   7.319   1.717
  176    HZ3  LYS  21           HZ3      LYS  21  -6.906   7.363   2.352
  177    H    HIS  22           HN       HIS  22  -5.748   1.340  -2.393
  178    HA   HIS  22           HA       HIS  22  -8.407   0.516  -1.334
  179    HB2  HIS  22           HB2      HIS  22  -6.704  -0.336  -3.617
  180    HB3  HIS  22           HB1      HIS  22  -7.648  -1.597  -2.818
  181    HD2  HIS  22           HD2      HIS  22 -10.494  -0.363  -2.352
  182    HE1  HIS  22           HE1      HIS  22 -10.328   1.274  -6.240
  183    HE2  HIS  22           HE2      HIS  22 -11.865   0.685  -4.309
  184    H    VAL  23           HN       VAL  23  -8.243  -2.079  -0.780
  185    HA   VAL  23           HA       VAL  23  -5.740  -2.572   0.710
  186    HB   VAL  23           HB       VAL  23  -6.631  -2.646   2.823
  187   HG11  VAL  23          HG11      VAL  23  -8.128  -0.740   3.152
  188   HG12  VAL  23          HG12      VAL  23  -8.547  -0.743   1.444
  189   HG13  VAL  23          HG13      VAL  23  -6.905  -0.345   1.951
  190   HG21  VAL  23          HG21      VAL  23  -9.189  -2.880   3.143
  191   HG22  VAL  23          HG22      VAL  23  -8.307  -4.304   2.598
  192   HG23  VAL  23          HG23      VAL  23  -9.229  -3.340   1.442
  193    H    PHE  24           HN       PHE  24  -5.460  -4.762   1.374
  194    HA   PHE  24           HA       PHE  24  -7.421  -6.797   0.613
  195    HB2  PHE  24           HB2      PHE  24  -4.748  -6.768  -0.818
  196    HB3  PHE  24           HB1      PHE  24  -6.062  -7.920  -1.049
  197    HD1  PHE  24           HD2      PHE  24  -8.100  -7.291  -2.246
  198    HD2  PHE  24           HD1      PHE  24  -4.888  -4.509  -1.684
  199    HE1  PHE  24           HE2      PHE  24  -9.088  -5.809  -3.966
  200    HE2  PHE  24           HE1      PHE  24  -5.866  -3.021  -3.404
  201    HZ   PHE  24           HZ       PHE  24  -7.967  -3.672  -4.559
  202    H    CYS  25           HN       CYS  25  -6.450  -9.038   1.153
  203    HA   CYS  25           HA       CYS  25  -5.340  -9.003   3.737
  204    HB2  CYS  25           HB2      CYS  25  -4.645 -11.366   3.308
  205    HB3  CYS  25           HB1      CYS  25  -6.311 -11.052   2.830
  206    H    TYR  26           HN       TYR  26  -3.510  -8.003   4.264
  207    HA   TYR  26           HA       TYR  26  -1.437  -7.232   2.565
  208    HB2  TYR  26           HB2      TYR  26  -1.743  -6.465   4.921
  209    HB3  TYR  26           HB1      TYR  26  -1.129  -8.021   5.468
  210    HD1  TYR  26           HD1      TYR  26  -0.078  -5.442   2.894
  211    HD2  TYR  26           HD2      TYR  26   1.070  -7.959   6.187
  212    HE1  TYR  26           HE1      TYR  26   2.239  -4.605   2.730
  213    HE2  TYR  26           HE2      TYR  26   3.392  -7.118   6.013
  214    HH   TYR  26           HH       TYR  26   4.229  -4.464   3.870
  215    H    ASP  27           HN       ASP  27  -2.197 -10.424   3.409
  216    HA   ASP  27           HA       ASP  27   0.540 -11.423   3.220
  217    HB2  ASP  27           HB2      ASP  27  -2.174 -12.640   3.504
  218    HB3  ASP  27           HB1      ASP  27  -0.895 -13.651   2.828
  219    H    CYS  28           HN       CYS  28  -2.283 -11.330   1.056
  220    HA   CYS  28           HA       CYS  28  -0.703 -12.482  -1.118
  221    HB2  CYS  28           HB2      CYS  28  -2.651 -12.423  -2.413
  222    HB3  CYS  28           HB1      CYS  28  -3.306 -12.600  -0.787
  223    H    ALA  29           HN       ALA  29  -1.478  -9.343   0.142
  224    HA   ALA  29           HA       ALA  29  -0.891  -7.818  -2.200
  225    HB1  ALA  29           HB1      ALA  29  -1.858  -7.209   0.257
  226    HB2  ALA  29           HB2      ALA  29  -1.164  -5.992  -0.811
  227    HB3  ALA  29           HB3      ALA  29  -0.184  -6.704   0.472
  228    H    ILE  30           HN       ILE  30   1.131  -9.142   0.405
  229    HA   ILE  30           HA       ILE  30   3.516  -7.869  -0.706
  230    HB   ILE  30           HB       ILE  30   4.707  -9.001   1.075
  231   HG12  ILE  30          HG12      ILE  30   2.094 -10.390   1.734
  232   HG13  ILE  30          HG11      ILE  30   3.454 -11.188   0.952
  233   HG21  ILE  30          HG21      ILE  30   2.354  -7.360   1.430
  234   HG22  ILE  30          HG22      ILE  30   3.905  -7.282   2.255
  235   HG23  ILE  30          HG23      ILE  30   2.648  -8.359   2.849
  236   HD11  ILE  30          HD11      ILE  30   3.532  -9.865   3.674
  237   HD12  ILE  30          HD12      ILE  30   4.886 -10.671   2.881
  238   HD13  ILE  30          HD13      ILE  30   3.473 -11.602   3.378
  239    H    LEU  31           HN       LEU  31   1.974 -11.037  -0.785
  240    HA   LEU  31           HA       LEU  31   4.250 -12.268  -2.136
  241    HB2  LEU  31           HB2      LEU  31   1.422 -13.109  -1.588
  242    HB3  LEU  31           HB1      LEU  31   2.393 -14.013  -2.743
  243    HG   LEU  31           HG       LEU  31   3.579 -13.353  -0.074
  244   HD11  LEU  31          HD11      LEU  31   1.345 -15.276  -0.618
  245   HD12  LEU  31          HD12      LEU  31   1.650 -14.292   0.814
  246   HD13  LEU  31          HD13      LEU  31   2.605 -15.745   0.523
  247   HD21  LEU  31          HD21      LEU  31   3.779 -15.978  -1.499
  248   HD22  LEU  31          HD22      LEU  31   5.002 -15.115  -0.568
  249   HD23  LEU  31          HD23      LEU  31   4.605 -14.588  -2.204
  250    H    HIS  32           HN       HIS  32   1.600 -10.253  -3.051
  251    HA   HIS  32           HA       HIS  32   1.569 -11.073  -5.845
  252    HB2  HIS  32           HB2      HIS  32   0.301  -8.901  -4.232
  253    HB3  HIS  32           HB1      HIS  32   0.416  -8.678  -5.975
  254    HD1  HIS  32           HD1      HIS  32  -1.874  -9.242  -6.830
  255    HD2  HIS  32           HD2      HIS  32  -0.505 -12.066  -4.082
  256    HE1  HIS  32           HE1      HIS  32  -3.592 -11.105  -6.799
  257    HE2  HIS  32           HE2      HIS  32  -2.768 -12.827  -5.129
  258    H    GLU  33           HN       GLU  33   2.746  -8.155  -4.132
  259    HA   GLU  33           HA       GLU  33   4.103  -7.132  -6.467
  260    HB2  GLU  33           HB2      GLU  33   5.145  -5.546  -4.971
  261    HB3  GLU  33           HB1      GLU  33   3.475  -5.764  -4.453
  262    HG2  GLU  33           HG2      GLU  33   4.362  -7.556  -2.853
  263    HG3  GLU  33           HG1      GLU  33   5.971  -6.934  -3.215
  264    H    LYS  34           HN       LYS  34   5.041  -9.364  -3.900
  265    HA   LYS  34           HA       LYS  34   7.866  -9.293  -4.578
  266    HB2  LYS  34           HB2      LYS  34   6.166 -11.211  -2.970
  267    HB3  LYS  34           HB1      LYS  34   7.895 -11.454  -3.218
  268    HG2  LYS  34           HG2      LYS  34   8.425  -9.373  -2.131
  269    HG3  LYS  34           HG1      LYS  34   6.726  -8.902  -2.084
  270    HD2  LYS  34           HD2      LYS  34   6.368 -10.067  -0.187
  271    HD3  LYS  34           HD1      LYS  34   7.151 -11.503  -0.845
  272    HE2  LYS  34           HE2      LYS  34   8.354 -10.649   1.145
  273    HE3  LYS  34           HE1      LYS  34   9.359 -10.566  -0.303
  274    HZ1  LYS  34           HZ1      LYS  34   8.634  -8.483   1.395
  275    HZ2  LYS  34           HZ2      LYS  34   7.851  -8.204  -0.087
  276    HZ3  LYS  34           HZ3      LYS  34   9.539  -8.391  -0.037
  277    H    LYS  35           HN       LYS  35   5.055 -11.105  -5.652
  278    HA   LYS  35           HA       LYS  35   6.677 -13.044  -7.100
  279    HB2  LYS  35           HB2      LYS  35   3.727 -12.506  -6.909
  280    HB3  LYS  35           HB1      LYS  35   4.366 -13.615  -8.121
  281    HG2  LYS  35           HG2      LYS  35   5.346 -15.024  -6.436
  282    HG3  LYS  35           HG1      LYS  35   4.994 -13.849  -5.168
  283    HD2  LYS  35           HD2      LYS  35   2.819 -14.497  -4.999
  284    HD3  LYS  35           HD1      LYS  35   2.645 -14.700  -6.743
  285    HE2  LYS  35           HE2      LYS  35   3.672 -16.860  -6.688
  286    HE3  LYS  35           HE1      LYS  35   4.220 -16.631  -5.027
  287    HZ1  LYS  35           HZ1      LYS  35   2.298 -17.397  -4.279
  288    HZ2  LYS  35           HZ2      LYS  35   1.839 -17.759  -5.875
  289    HZ3  LYS  35           HZ3      LYS  35   1.424 -16.261  -5.187
  290    H    GLY  36           HN       GLY  36   4.036 -11.145  -8.429
  291    HA2  GLY  36           HA2      GLY  36   5.640  -9.586 -10.240
  292    HA3  GLY  36           HA1      GLY  36   5.001 -11.012 -11.064
  293    H    ASP  37           HN       ASP  37   3.356  -9.405  -8.439
  294    HA   ASP  37           HA       ASP  37   1.306  -8.381 -10.349
  295    HB2  ASP  37           HB2      ASP  37   0.993  -9.984  -7.830
  296    HB3  ASP  37           HB1      ASP  37  -0.275  -8.852  -8.300
  297    H    LYS  38           HN       LYS  38   3.253  -6.708  -9.672
  298    HA   LYS  38           HA       LYS  38   2.798  -5.241  -7.218
  299    HB2  LYS  38           HB2      LYS  38   4.186  -3.468  -8.614
  300    HB3  LYS  38           HB1      LYS  38   4.966  -4.930  -8.014
  301    HG2  LYS  38           HG2      LYS  38   4.938  -5.967 -10.113
  302    HG3  LYS  38           HG1      LYS  38   3.645  -4.930 -10.715
  303    HD2  LYS  38           HD2      LYS  38   6.192  -3.606  -9.904
  304    HD3  LYS  38           HD1      LYS  38   6.202  -4.532 -11.404
  305    HE2  LYS  38           HE2      LYS  38   4.625  -3.155 -12.426
  306    HE3  LYS  38           HE1      LYS  38   3.957  -2.610 -10.887
  307    HZ1  LYS  38           HZ1      LYS  38   6.444  -1.717 -10.675
  308    HZ2  LYS  38           HZ2      LYS  38   5.185  -0.798 -11.350
  309    HZ3  LYS  38           HZ3      LYS  38   6.265  -1.634 -12.359
  310    H    MET  39           HN       MET  39   0.469  -5.680  -8.923
  311    HA   MET  39           HA       MET  39  -0.313  -2.839  -9.364
  312    HB2  MET  39           HB2      MET  39  -0.190  -4.951 -11.277
  313    HB3  MET  39           HB1      MET  39  -1.885  -4.544 -11.014
  314    HG2  MET  39           HG2      MET  39  -1.340  -2.146 -11.355
  315    HG3  MET  39           HG1      MET  39   0.333  -2.595 -11.690
  316    HE1  MET  39           HE1      MET  39  -0.589  -1.605 -15.126
  317    HE2  MET  39           HE2      MET  39  -0.159  -1.064 -13.505
  318    HE3  MET  39           HE3      MET  39  -1.844  -1.032 -14.017
  319    H    CYS  40           HN       CYS  40  -2.303  -2.262  -8.497
  320    HA   CYS  40           HA       CYS  40  -3.444  -3.527  -6.342
  321    HB2  CYS  40           HB2      CYS  40  -4.174  -1.398  -8.061
  322    HB3  CYS  40           HB1      CYS  40  -5.596  -2.426  -7.895
  323    HA   PRO  41           HA       PRO  41  -4.714  -7.390  -8.485
  324    HB2  PRO  41           HB2      PRO  41  -5.989  -7.830  -5.825
  325    HB3  PRO  41           HB1      PRO  41  -4.967  -8.920  -6.781
  326    HG2  PRO  41           HG2      PRO  41  -4.048  -7.649  -4.617
  327    HG3  PRO  41           HG1      PRO  41  -3.026  -7.985  -6.022
  328    HD2  PRO  41           HD2      PRO  41  -4.179  -5.397  -5.119
  329    HD3  PRO  41           HD1      PRO  41  -2.701  -5.713  -6.049
  330    H    GLY  42           HN       GLY  42  -6.678  -5.024  -6.823
  331    HA2  GLY  42           HA2      GLY  42  -9.164  -6.163  -7.999
  332    HA3  GLY  42           HA1      GLY  42  -9.099  -4.921  -6.754
  333    H    CYS  43           HN       CYS  43  -7.264  -3.129  -7.981
  334    HA   CYS  43           HA       CYS  43  -9.011  -2.092 -10.149
  335    HB2  CYS  43           HB2      CYS  43  -6.780  -0.579  -8.810
  336    HB3  CYS  43           HB1      CYS  43  -8.211   0.061  -9.619
  337    H    SER  44           HN       SER  44  -5.716  -3.115  -9.522
  338    HA   SER  44           HA       SER  44  -4.032  -3.678 -11.055
  339    HB2  SER  44           HB2      SER  44  -6.233  -4.142 -12.517
  340    HB3  SER  44           HB1      SER  44  -5.620  -2.758 -13.413
  341    HG   SER  44           HG       SER  44  -4.078  -3.972 -14.156
  342    H    ASP  45           HN       ASP  45  -3.654  -1.411  -9.793
  343    HA   ASP  45           HA       ASP  45  -2.902   0.584 -11.883
  344    HB2  ASP  45           HB2      ASP  45  -4.430   0.880  -9.413
  345    HB3  ASP  45           HB1      ASP  45  -3.038   1.962  -9.468
  346    HA   PRO  46           HA       PRO  46   1.300   0.333 -10.627
  347    HB2  PRO  46           HB2      PRO  46   1.853   3.029 -10.018
  348    HB3  PRO  46           HB1      PRO  46   2.008   2.259 -11.604
  349    HG2  PRO  46           HG2      PRO  46  -0.161   3.962 -10.536
  350    HG3  PRO  46           HG1      PRO  46   0.433   3.789 -12.196
  351    HD2  PRO  46           HD2      PRO  46  -1.910   2.689 -11.387
  352    HD3  PRO  46           HD1      PRO  46  -0.885   1.922 -12.619
  353    H    VAL  47           HN       VAL  47   0.888  -0.825  -8.636
  354    HA   VAL  47           HA       VAL  47   0.141   0.341  -6.160
  355    HB   VAL  47           HB       VAL  47   1.953  -2.020  -6.725
  356   HG11  VAL  47          HG11      VAL  47   2.281  -1.270  -4.434
  357   HG12  VAL  47          HG12      VAL  47   1.280  -2.719  -4.421
  358   HG13  VAL  47          HG13      VAL  47   0.538  -1.135  -4.196
  359   HG21  VAL  47          HG21      VAL  47   0.045  -3.254  -6.987
  360   HG22  VAL  47          HG22      VAL  47  -0.679  -1.693  -7.379
  361   HG23  VAL  47          HG23      VAL  47  -0.822  -2.346  -5.750
  362    H    GLN  48           HN       GLN  48   1.213   2.243  -5.590
  363    HA   GLN  48           HA       GLN  48   3.998   2.733  -5.994
  364    HB2  GLN  48           HB2      GLN  48   2.593   4.626  -5.571
  365    HB3  GLN  48           HB1      GLN  48   1.981   3.921  -4.076
  366    HG2  GLN  48           HG2      GLN  48   3.838   4.513  -2.879
  367    HG3  GLN  48           HG1      GLN  48   4.926   4.268  -4.246
  368   HE21  GLN  48          HE21      GLN  48   4.575   5.988  -6.094
  369   HE22  GLN  48          HE22      GLN  48   4.316   7.586  -5.581
  370    H    ARG  49           HN       ARG  49   2.342   2.165  -2.884
  371    HA   ARG  49           HA       ARG  49   4.410   0.207  -2.184
  372    HB2  ARG  49           HB2      ARG  49   5.705   1.589  -0.979
  373    HB3  ARG  49           HB1      ARG  49   4.642   2.937  -1.357
  374    HG2  ARG  49           HG2      ARG  49   3.212   2.370   0.573
  375    HG3  ARG  49           HG1      ARG  49   4.254   0.990   0.943
  376    HD2  ARG  49           HD2      ARG  49   5.125   3.892   0.894
  377    HD3  ARG  49           HD1      ARG  49   4.825   2.935   2.344
  378    HE   ARG  49           HE       ARG  49   6.772   1.673   0.601
  379   HH11  ARG  49          HH21      ARG  49   6.212   4.112   2.970
  380   HH12  ARG  49          HH22      ARG  49   7.845   4.114   3.548
  381   HH21  ARG  49          HH11      ARG  49   8.908   1.661   1.340
  382   HH22  ARG  49          HH12      ARG  49   9.371   2.726   2.624
  383    H    ILE  50           HN       ILE  50   3.579  -1.339  -0.824
  384    HA   ILE  50           HA       ILE  50   0.765  -1.014  -0.055
  385    HB   ILE  50           HB       ILE  50   2.424  -3.412   0.635
  386   HG12  ILE  50          HG12      ILE  50   1.290  -2.713  -2.083
  387   HG13  ILE  50          HG11      ILE  50   2.986  -2.951  -1.681
  388   HG21  ILE  50          HG21      ILE  50   0.410  -4.474   0.818
  389   HG22  ILE  50          HG22      ILE  50  -0.312  -3.560  -0.502
  390   HG23  ILE  50          HG23      ILE  50  -0.165  -2.834   1.096
  391   HD11  ILE  50          HD11      ILE  50   2.216  -4.995  -2.683
  392   HD12  ILE  50          HD12      ILE  50   0.794  -5.034  -1.652
  393   HD13  ILE  50          HD13      ILE  50   2.391  -5.303  -0.959
  394    H    GLU  51           HN       GLU  51   0.060  -1.060   2.058
  395    HA   GLU  51           HA       GLU  51   2.132  -1.052   4.191
  396    HB2  GLU  51           HB2      GLU  51  -0.064   1.015   3.984
  397    HB3  GLU  51           HB1      GLU  51   1.231   0.955   5.184
  398    HG2  GLU  51           HG2      GLU  51   2.893   1.125   3.329
  399    HG3  GLU  51           HG1      GLU  51   1.556   1.336   2.199
  400    H    GLN  52           HN       GLN  52   1.425  -1.770   6.185
  401    HA   GLN  52           HA       GLN  52  -1.052  -3.365   6.108
  402    HB2  GLN  52           HB2      GLN  52  -0.194  -4.527   7.978
  403    HB3  GLN  52           HB1      GLN  52   1.240  -4.157   7.020
  404    HG2  GLN  52           HG2      GLN  52   1.363  -1.986   8.443
  405    HG3  GLN  52           HG1      GLN  52   0.275  -2.829   9.546
  406   HE21  GLN  52          HE21      GLN  52   1.070  -5.035  10.331
  407   HE22  GLN  52          HE22      GLN  52   2.742  -5.263  10.510
  408    H    CYS  53           HN       CYS  53  -2.825  -2.986   7.444
  409    HA   CYS  53           HA       CYS  53  -2.675  -0.791   9.417
  410    HB2  CYS  53           HB2      CYS  53  -3.909  -0.561   6.790
  411    HB3  CYS  53           HB1      CYS  53  -5.067  -0.260   8.086
  412    H    THR  54           HN       THR  54  -4.586  -0.736  10.825
  413    HA   THR  54           HA       THR  54  -5.574  -3.418  11.392
  414    HB   THR  54           HB       THR  54  -7.077  -1.546  12.876
  415    HG1  THR  54           HG1      THR  54  -5.147  -0.250  11.872
  416   HG21  THR  54          HG21      THR  54  -6.108  -3.679  13.673
  417   HG22  THR  54          HG22      THR  54  -5.673  -2.337  14.731
  418   HG23  THR  54          HG23      THR  54  -4.496  -2.971  13.581
  419    H    ARG  55           HN       ARG  55  -7.962  -3.855  11.578
  420    HA   ARG  55           HA       ARG  55  -9.287  -3.206   9.120
  421    HB2  ARG  55           HB2      ARG  55 -10.947  -4.099  11.414
  422    HB3  ARG  55           HB1      ARG  55 -10.871  -4.726   9.767
  423    HG2  ARG  55           HG2      ARG  55  -8.484  -5.535  10.441
  424    HG3  ARG  55           HG1      ARG  55  -9.056  -5.320  12.095
  425    HD2  ARG  55           HD2      ARG  55 -11.158  -6.674  11.016
  426    HD3  ARG  55           HD1      ARG  55  -9.823  -7.350  10.084
  427    HE   ARG  55           HE       ARG  55  -8.887  -7.495  12.661
  428   HH11  ARG  55          HH21      ARG  55 -11.815  -8.381  11.074
  429   HH12  ARG  55          HH22      ARG  55 -12.141  -9.715  12.129
  430   HH21  ARG  55          HH11      ARG  55  -9.293  -9.234  14.048
  431   HH22  ARG  55          HH12      ARG  55 -10.712 -10.198  13.814
  432    H    GLY  56           HN       GLY  56 -10.240  -2.304  12.458
  433    HA2  GLY  56           HA2      GLY  56 -12.096  -0.302  11.492
  434    HA3  GLY  56           HA1      GLY  56 -11.566  -0.488  13.164
  435    H    SER  57           HN       SER  57  -9.195  -0.134  10.615
  436    HA   SER  57           HA       SER  57  -8.327   2.391  11.871
  437    HB2  SER  57           HB2      SER  57  -6.746   0.480  11.233
  438    HB3  SER  57           HB1      SER  57  -7.006   0.961   9.559
  439    HG   SER  57           HG       SER  57  -5.608   2.478   9.904
  440    H    LEU  58           HN       LEU  58  -9.938   1.273   9.005
  441    HA   LEU  58           HA       LEU  58  -9.731   4.005   7.807
  442    HB2  LEU  58           HB2      LEU  58 -10.773   1.641   6.291
  443    HB3  LEU  58           HB1      LEU  58  -9.944   3.075   5.695
  444    HG   LEU  58           HG       LEU  58  -8.668   0.835   7.291
  445   HD11  LEU  58          HD11      LEU  58  -9.234   0.236   4.961
  446   HD12  LEU  58          HD12      LEU  58  -7.488   0.362   5.185
  447   HD13  LEU  58          HD13      LEU  58  -8.372   1.664   4.390
  448   HD21  LEU  58          HD21      LEU  58  -6.643   2.300   6.189
  449   HD22  LEU  58          HD22      LEU  58  -7.234   2.532   7.833
  450   HD23  LEU  58          HD23      LEU  58  -7.816   3.570   6.532
  451    H    PHE  59           HN       PHE  59 -11.800   4.512   6.453
  452    HA   PHE  59           HA       PHE  59 -14.190   3.786   8.100
  453    HB2  PHE  59           HB2      PHE  59 -13.665   6.347   6.570
  454    HB3  PHE  59           HB1      PHE  59 -15.099   5.992   7.534
  455    HD1  PHE  59           HD2      PHE  59 -14.851   5.582  10.017
  456    HD2  PHE  59           HD1      PHE  59 -11.659   7.126   7.591
  457    HE1  PHE  59           HE2      PHE  59 -13.688   6.383  12.057
  458    HE2  PHE  59           HE1      PHE  59 -10.497   7.927   9.631
  459    HZ   PHE  59           HZ       PHE  59 -11.512   7.556  11.863
  460    H    MET  60           HN       MET  60 -15.604   2.544   6.985
  461    HA   MET  60           HA       MET  60 -15.363   2.197   4.107
  462    HB2  MET  60           HB2      MET  60 -17.136   1.096   6.262
  463    HB3  MET  60           HB1      MET  60 -17.611   0.895   4.574
  464    HG2  MET  60           HG2      MET  60 -14.812   0.216   5.449
  465    HG3  MET  60           HG1      MET  60 -16.121  -0.942   5.681
  466    HE1  MET  60           HE1      MET  60 -13.988  -1.795   4.559
  467    HE2  MET  60           HE2      MET  60 -13.578  -1.641   2.852
  468    HE3  MET  60           HE3      MET  60 -14.794  -2.811   3.358
  469    H    CYS  61           HN       CYS  61 -16.778   2.907   2.503
  470    HA   CYS  61           HA       CYS  61 -18.350   5.309   3.155
  471    HB2  CYS  61           HB2      CYS  61 -16.857   4.969   1.066
  472    HB3  CYS  61           HB1      CYS  61 -18.177   3.979   0.447
  473    H    SER  62           HN       SER  62 -20.618   5.436   3.006
  474    HA   SER  62           HA       SER  62 -22.104   3.007   2.176
  475    HB2  SER  62           HB2      SER  62 -22.282   4.266   4.923
  476    HB3  SER  62           HB1      SER  62 -23.482   3.145   4.287
  477    HG   SER  62           HG       SER  62 -22.007   1.548   4.298
  478    H    ILE  63           HN       ILE  63 -22.513   4.696   0.449
  479    HA   ILE  63           HA       ILE  63 -24.560   6.711   1.284
  480    HB   ILE  63           HB       ILE  63 -23.139   6.502  -1.382
  481   HG12  ILE  63          HG12      ILE  63 -21.421   6.818   0.285
  482   HG13  ILE  63          HG11      ILE  63 -21.713   8.377  -0.481
  483   HG21  ILE  63          HG21      ILE  63 -25.201   7.820  -1.396
  484   HG22  ILE  63          HG22      ILE  63 -23.807   8.890  -1.541
  485   HG23  ILE  63          HG23      ILE  63 -24.645   8.739   0.002
  486   HD11  ILE  63          HD11      ILE  63 -23.400   8.767   1.464
  487   HD12  ILE  63          HD12      ILE  63 -21.680   8.902   1.819
  488   HD13  ILE  63          HD13      ILE  63 -22.557   7.438   2.257
  489    H    VAL  64           HN       VAL  64 -24.045   4.993  -1.797
  490    HA   VAL  64           HA       VAL  64 -26.960   4.462  -1.895
  491    HB   VAL  64           HB       VAL  64 -26.200   3.550  -4.246
  492   HG11  VAL  64          HG11      VAL  64 -26.338   6.412  -3.311
  493   HG12  VAL  64          HG12      VAL  64 -27.539   5.484  -4.212
  494   HG13  VAL  64          HG13      VAL  64 -26.068   6.035  -5.013
  495   HG21  VAL  64          HG21      VAL  64 -23.936   5.473  -3.705
  496   HG22  VAL  64          HG22      VAL  64 -24.119   4.340  -5.046
  497   HG23  VAL  64          HG23      VAL  64 -23.744   3.741  -3.429
  498    H    GLN  65           HN       GLN  65 -24.851   2.313  -3.590
  499    HA   GLN  65           HA       GLN  65 -24.687   0.263  -1.553
  500    HB2  GLN  65           HB2      GLN  65 -27.112   0.141  -2.032
  501    HB3  GLN  65           HB1      GLN  65 -26.756  -0.103  -3.743
  502    HG2  GLN  65           HG2      GLN  65 -26.312  -2.294  -3.430
  503    HG3  GLN  65           HG1      GLN  65 -25.270  -1.955  -2.048
  504   HE21  GLN  65          HE21      GLN  65 -26.413  -1.587   0.088
  505   HE22  GLN  65          HE22      GLN  65 -27.903  -2.354   0.358
  506    H    GLY  66           HN       GLY  66 -22.960   1.539  -3.515
  507    HA2  GLY  66           HA2      GLY  66 -21.992  -0.921  -4.857
  508    HA3  GLY  66           HA1      GLY  66 -22.303   0.486  -5.875
  509    H    CYS  67           HN       CYS  67 -21.445   2.437  -3.884
  510    HA   CYS  67           HA       CYS  67 -18.650   2.528  -4.509
  511    HB2  CYS  67           HB2      CYS  67 -19.920   4.565  -4.003
  512    HB3  CYS  67           HB1      CYS  67 -20.206   3.996  -2.358
  513    H    LYS  68           HN       LYS  68 -16.963   2.726  -2.679
  514    HA   LYS  68           HA       LYS  68 -17.300   1.428  -0.175
  515    HB2  LYS  68           HB2      LYS  68 -15.937  -0.692  -0.877
  516    HB3  LYS  68           HB1      LYS  68 -17.674  -0.664  -1.177
  517    HG2  LYS  68           HG2      LYS  68 -17.416  -0.357  -3.465
  518    HG3  LYS  68           HG1      LYS  68 -15.831   0.398  -3.289
  519    HD2  LYS  68           HD2      LYS  68 -14.756  -1.679  -2.916
  520    HD3  LYS  68           HD1      LYS  68 -16.280  -2.501  -2.579
  521    HE2  LYS  68           HE2      LYS  68 -16.950  -2.399  -4.873
  522    HE3  LYS  68           HE1      LYS  68 -15.655  -1.270  -5.270
  523    HZ1  LYS  68           HZ1      LYS  68 -15.592  -4.115  -5.144
  524    HZ2  LYS  68           HZ2      LYS  68 -14.395  -3.429  -4.152
  525    HZ3  LYS  68           HZ3      LYS  68 -14.457  -3.042  -5.806
  526    H    ARG  69           HN       ARG  69 -15.850   3.619  -1.583
  527    HA   ARG  69           HA       ARG  69 -13.022   2.876  -1.472
  528    HB2  ARG  69           HB2      ARG  69 -14.596   5.168  -2.345
  529    HB3  ARG  69           HB1      ARG  69 -13.177   5.664  -1.423
  530    HG2  ARG  69           HG2      ARG  69 -11.734   4.304  -2.869
  531    HG3  ARG  69           HG1      ARG  69 -13.142   3.748  -3.773
  532    HD2  ARG  69           HD2      ARG  69 -13.078   5.584  -5.069
  533    HD3  ARG  69           HD1      ARG  69 -13.174   6.622  -3.647
  534    HE   ARG  69           HE       ARG  69 -10.857   6.990  -3.849
  535   HH11  ARG  69          HH21      ARG  69 -11.861   4.138  -5.506
  536   HH12  ARG  69          HH22      ARG  69 -10.305   3.835  -6.205
  537   HH21  ARG  69          HH11      ARG  69  -8.820   6.612  -4.752
  538   HH22  ARG  69          HH12      ARG  69  -8.583   5.237  -5.779
  539    H    THR  70           HN       THR  70 -11.979   2.644   0.440
  540    HA   THR  70           HA       THR  70 -13.096   3.792   2.891
  541    HB   THR  70           HB       THR  70 -10.575   2.787   3.502
  542    HG1  THR  70           HG1      THR  70 -11.798   0.965   1.743
  543   HG21  THR  70          HG21      THR  70 -12.619   2.377   4.772
  544   HG22  THR  70          HG22      THR  70 -11.850   0.843   4.366
  545   HG23  THR  70          HG23      THR  70 -13.260   1.389   3.460
  546    H    TYR  71           HN       TYR  71 -11.373   4.827   4.430
  547    HA   TYR  71           HA       TYR  71  -9.319   6.424   3.119
  548    HB2  TYR  71           HB2      TYR  71 -11.777   7.748   4.289
  549    HB3  TYR  71           HB1      TYR  71 -10.300   8.601   3.841
  550    HD1  TYR  71           HD1      TYR  71  -9.524   8.588   1.454
  551    HD2  TYR  71           HD2      TYR  71 -13.354   7.037   2.631
  552    HE1  TYR  71           HE1      TYR  71 -10.285   8.679  -0.903
  553    HE2  TYR  71           HE2      TYR  71 -14.114   7.127   0.273
  554    HH   TYR  71           HH       TYR  71 -12.001   8.421  -2.289
  555    H    LEU  72           HN       LEU  72  -8.583   8.134   4.994
  556    HA   LEU  72           HA       LEU  72  -8.371   6.493   7.476
  557    HB2  LEU  72           HB2      LEU  72  -6.347   8.524   7.319
  558    HB3  LEU  72           HB1      LEU  72  -6.150   6.773   7.361
  559    HG   LEU  72           HG       LEU  72  -6.762   8.377   4.857
  560   HD11  LEU  72          HD11      LEU  72  -4.350   7.525   4.335
  561   HD12  LEU  72          HD12      LEU  72  -4.207   7.369   6.087
  562   HD13  LEU  72          HD13      LEU  72  -4.545   8.943   5.365
  563   HD21  LEU  72          HD21      LEU  72  -7.107   6.380   3.856
  564   HD22  LEU  72          HD22      LEU  72  -7.074   5.629   5.451
  565   HD23  LEU  72          HD23      LEU  72  -5.595   5.749   4.502
  566    H    SER  73           HN       SER  73  -9.844   9.259   6.319
  567    HA   SER  73           HA       SER  73 -10.242  10.209   9.078
  568    HB2  SER  73           HB2      SER  73  -9.330  12.249   7.065
  569    HB3  SER  73           HB1      SER  73  -9.349  12.362   8.823
  570    HG   SER  73           HG       SER  73  -7.827  10.381   8.459
  571    H    GLN  74           HN       GLN  74 -12.309  10.900   9.296
  572    HA   GLN  74           HA       GLN  74 -14.312  10.628   7.415
  573    HB2  GLN  74           HB2      GLN  74 -14.323  11.458   9.960
  574    HB3  GLN  74           HB1      GLN  74 -14.519  13.027   9.177
  575    HG2  GLN  74           HG2      GLN  74 -16.738  12.340   9.387
  576    HG3  GLN  74           HG1      GLN  74 -16.348  11.774   7.762
  577   HE21  GLN  74          HE21      GLN  74 -15.735   9.423   7.559
  578   HE22  GLN  74          HE22      GLN  74 -16.335   8.313   8.692
  579    H    ARG  75           HN       ARG  75 -12.028  13.266   7.721
  580    HA   ARG  75           HA       ARG  75 -13.325  15.154   6.018
  581    HB2  ARG  75           HB2      ARG  75 -11.346  15.590   7.525
  582    HB3  ARG  75           HB1      ARG  75 -10.343  14.743   6.347
  583    HG2  ARG  75           HG2      ARG  75 -11.715  16.504   4.746
  584    HG3  ARG  75           HG1      ARG  75 -11.502  17.443   6.222
  585    HD2  ARG  75           HD2      ARG  75  -9.047  16.711   6.154
  586    HD3  ARG  75           HD1      ARG  75  -9.367  16.167   4.508
  587    HE   ARG  75           HE       ARG  75  -9.403  18.428   3.832
  588   HH11  ARG  75          HH21      ARG  75  -9.746  18.080   7.243
  589   HH12  ARG  75          HH22      ARG  75  -9.636  19.780   7.563
  590   HH21  ARG  75          HH11      ARG  75  -9.258  20.650   4.227
  591   HH22  ARG  75          HH12      ARG  75  -9.359  21.233   5.855
  592    H    ASP  76           HN       ASP  76 -11.219  12.405   5.326
  593    HA   ASP  76           HA       ASP  76 -11.014  13.079   2.487
  594    HB2  ASP  76           HB2      ASP  76 -10.028  10.891   4.264
  595    HB3  ASP  76           HB1      ASP  76 -10.163  10.548   2.540
  596    H    LEU  77           HN       LEU  77 -12.838  10.882   4.528
  597    HA   LEU  77           HA       LEU  77 -14.185   9.556   2.337
  598    HB2  LEU  77           HB2      LEU  77 -13.996   8.383   4.436
  599    HB3  LEU  77           HB1      LEU  77 -14.690   9.738   5.315
  600    HG   LEU  77           HG       LEU  77 -16.405   8.733   3.146
  601   HD11  LEU  77          HD11      LEU  77 -17.101   6.743   4.533
  602   HD12  LEU  77          HD12      LEU  77 -15.647   6.991   5.498
  603   HD13  LEU  77          HD13      LEU  77 -15.510   6.591   3.787
  604   HD21  LEU  77          HD21      LEU  77 -18.107   9.130   4.770
  605   HD22  LEU  77          HD22      LEU  77 -16.919  10.403   5.043
  606   HD23  LEU  77          HD23      LEU  77 -16.966   8.998   6.107
  607    H    GLN  78           HN       GLN  78 -14.678  12.375   4.360
  608    HA   GLN  78           HA       GLN  78 -17.412  12.776   3.512
  609    HB2  GLN  78           HB2      GLN  78 -16.488  13.854   5.575
  610    HB3  GLN  78           HB1      GLN  78 -15.448  14.842   4.548
  611    HG2  GLN  78           HG2      GLN  78 -17.425  16.133   5.109
  612    HG3  GLN  78           HG1      GLN  78 -17.513  15.704   3.402
  613   HE21  GLN  78          HE21      GLN  78 -19.074  14.012   2.770
  614   HE22  GLN  78          HE22      GLN  78 -20.334  13.561   3.814
  615    H    ALA  79           HN       ALA  79 -14.227  13.617   2.438
  616    HA   ALA  79           HA       ALA  79 -15.114  15.402   0.322
  617    HB1  ALA  79           HB1      ALA  79 -12.652  14.350  -0.458
  618    HB2  ALA  79           HB2      ALA  79 -12.585  14.314   1.303
  619    HB3  ALA  79           HB3      ALA  79 -12.892  15.832   0.466
  620    H    HIS  80           HN       HIS  80 -14.982  11.969   0.814
  621    HA   HIS  80           HA       HIS  80 -14.824  11.291  -2.012
  622    HB2  HIS  80           HB2      HIS  80 -14.226   9.604  -0.377
  623    HB3  HIS  80           HB1      HIS  80 -15.826   9.692   0.353
  624    HD1  HIS  80           HD1      HIS  80 -14.109   8.595  -2.838
  625    HD2  HIS  80           HD2      HIS  80 -17.809   8.229  -0.961
  626    HE1  HIS  80           HE1      HIS  80 -15.437   6.916  -4.193
  627    H    ILE  81           HN       ILE  81 -17.452  11.536   0.335
  628    HA   ILE  81           HA       ILE  81 -19.619  10.908  -1.363
  629    HB   ILE  81           HB       ILE  81 -19.895  13.134   0.604
  630   HG12  ILE  81          HG12      ILE  81 -18.398  11.733   1.777
  631   HG13  ILE  81          HG11      ILE  81 -19.993  11.402   2.433
  632   HG21  ILE  81          HG21      ILE  81 -21.894  12.324  -0.509
  633   HG22  ILE  81          HG22      ILE  81 -21.950  11.851   1.188
  634   HG23  ILE  81          HG23      ILE  81 -21.524  10.665  -0.043
  635   HD11  ILE  81          HD11      ILE  81 -19.915   9.551   0.459
  636   HD12  ILE  81          HD12      ILE  81 -19.351   9.228   2.095
  637   HD13  ILE  81          HD13      ILE  81 -18.197   9.657   0.836
  638    H    ASN  82           HN       ASN  82 -18.233  14.086  -0.619
  639    HA   ASN  82           HA       ASN  82 -19.933  15.452  -2.504
  640    HB2  ASN  82           HB2      ASN  82 -17.264  16.515  -1.611
  641    HB3  ASN  82           HB1      ASN  82 -18.765  17.394  -1.907
  642   HD21  ASN  82          HD21      ASN  82 -16.911  16.909   0.612
  643   HD22  ASN  82          HD22      ASN  82 -18.037  16.552   1.830
  644    H    HIS  83           HN       HIS  83 -17.018  13.610  -2.831
  645    HA   HIS  83           HA       HIS  83 -16.303  14.987  -5.316
  646    HB2  HIS  83           HB2      HIS  83 -15.088  12.706  -3.801
  647    HB3  HIS  83           HB1      HIS  83 -14.553  13.104  -5.428
  648    HD1  HIS  83           HD1      HIS  83 -12.226  13.836  -4.358
  649    HD2  HIS  83           HD2      HIS  83 -15.500  16.166  -3.238
  650    HE1  HIS  83           HE1      HIS  83 -11.283  15.953  -3.332
  651    HE2  HIS  83           HE2      HIS  83 -13.266  17.378  -2.647
  652    H    ARG  84           HN       ARG  84 -18.049  12.041  -4.438
  653    HA   ARG  84           HA       ARG  84 -18.328  11.508  -7.367
  654    HB2  ARG  84           HB2      ARG  84 -18.381   9.270  -5.377
  655    HB3  ARG  84           HB1      ARG  84 -18.008   9.213  -7.091
  656    HG2  ARG  84           HG2      ARG  84 -16.244  10.588  -5.026
  657    HG3  ARG  84           HG1      ARG  84 -15.999   8.942  -5.589
  658    HD2  ARG  84           HD2      ARG  84 -16.292  10.501  -7.927
  659    HD3  ARG  84           HD1      ARG  84 -15.225  11.412  -6.866
  660    HE   ARG  84           HE       ARG  84 -13.598   9.707  -7.105
  661   HH11  ARG  84          HH21      ARG  84 -16.704   8.770  -8.272
  662   HH12  ARG  84          HH22      ARG  84 -16.132   7.312  -9.014
  663   HH21  ARG  84          HH11      ARG  84 -12.834   7.810  -8.068
  664   HH22  ARG  84          HH12      ARG  84 -13.942   6.769  -8.899
  665    H    HIS  85           HN       HIS  85 -19.955  11.680  -4.290
  666    HA   HIS  85           HA       HIS  85 -22.450  10.661  -5.546
  667    HB2  HIS  85           HB2      HIS  85 -22.018  11.381  -2.645
  668    HB3  HIS  85           HB1      HIS  85 -23.316  10.403  -3.329
  669    HD1  HIS  85           HD1      HIS  85 -22.940   7.979  -2.927
  670    HD2  HIS  85           HD2      HIS  85 -19.337  10.011  -3.434
  671    HE1  HIS  85           HE1      HIS  85 -21.106   6.245  -2.714
  672    H    MET  86           HN       MET  86 -21.219  13.384  -3.661
  673    HA   MET  86           HA       MET  86 -22.121  15.533  -3.325
  674    HB2  MET  86           HB2      MET  86 -21.170  15.225  -5.814
  675    HB3  MET  86           HB1      MET  86 -22.851  15.592  -6.208
  676    HG2  MET  86           HG2      MET  86 -22.565  17.537  -4.485
  677    HG3  MET  86           HG1      MET  86 -20.839  17.287  -4.748
  678    HE1  MET  86           HE1      MET  86 -21.640  19.922  -5.187
  679    HE2  MET  86           HE2      MET  86 -23.335  19.688  -5.607
  680    HE3  MET  86           HE3      MET  86 -22.253  20.480  -6.751
  681    H    ARG  87           HN       ARG  87 -24.057  13.386  -2.942
  682    HA   ARG  87           HA       ARG  87 -26.547  14.357  -4.164
  683    HB2  ARG  87           HB2      ARG  87 -25.813  11.884  -3.421
  684    HB3  ARG  87           HB1      ARG  87 -26.588  12.394  -1.920
  685    HG2  ARG  87           HG2      ARG  87 -28.618  13.026  -3.195
  686    HG3  ARG  87           HG1      ARG  87 -27.846  12.464  -4.679
  687    HD2  ARG  87           HD2      ARG  87 -27.501  10.260  -3.189
  688    HD3  ARG  87           HD1      ARG  87 -28.947  10.888  -2.400
  689    HE   ARG  87           HE       ARG  87 -28.814   9.779  -5.095
  690   HH11  ARG  87          HH21      ARG  87 -30.396  11.931  -2.916
  691   HH12  ARG  87          HH22      ARG  87 -31.908  11.886  -3.759
  692   HH21  ARG  87          HH11      ARG  87 -30.779   9.708  -6.210
  693   HH22  ARG  87          HH12      ARG  87 -32.125  10.628  -5.624
  694    H    ALA  88           HN       ALA  88 -24.666  15.437  -1.694
  695    HA   ALA  88           HA       ALA  88 -26.262  15.811   0.555
  696    HB1  ALA  88           HB1      ALA  88 -24.706  18.131  -0.570
  697    HB2  ALA  88           HB2      ALA  88 -23.863  16.695   0.012
  698    HB3  ALA  88           HB3      ALA  88 -24.880  17.627   1.112
  699    H    GLY  89           HN       GLY  89 -28.009  17.119   1.078
  700    HA2  GLY  89           HA2      GLY  89 -29.643  18.822   0.766
  701    HA3  GLY  89           HA1      GLY  89 -28.908  19.204  -0.792
  Start of MODEL    6
    1    H1   VAL   1           HT1      VAL   1 -12.838  -2.260   5.478
    2    H2   VAL   1           HT2      VAL   1 -12.230  -2.324   3.892
    3    H3   VAL   1           HT3      VAL   1 -11.498  -3.238   5.124
    4    HA   VAL   1           HA       VAL   1 -14.296  -3.801   4.849
    5    HB   VAL   1           HB       VAL   1 -13.841  -5.165   2.724
    6   HG11  VAL   1          HG11      VAL   1 -13.789  -2.142   2.480
    7   HG12  VAL   1          HG12      VAL   1 -15.235  -3.095   2.815
    8   HG13  VAL   1          HG13      VAL   1 -14.394  -3.280   1.276
    9   HG21  VAL   1          HG21      VAL   1 -11.267  -4.390   3.090
   10   HG22  VAL   1          HG22      VAL   1 -11.806  -3.134   1.978
   11   HG23  VAL   1          HG23      VAL   1 -11.923  -4.831   1.514
   12    H    HIS   2           HN       HIS   2 -14.572  -6.106   5.173
   13    HA   HIS   2           HA       HIS   2 -12.237  -7.327   6.532
   14    HB2  HIS   2           HB2      HIS   2 -14.901  -8.659   6.475
   15    HB3  HIS   2           HB1      HIS   2 -13.735  -8.535   7.793
   16    HD1  HIS   2           HD1      HIS   2 -13.699  -6.281   9.152
   17    HD2  HIS   2           HD2      HIS   2 -16.779  -6.550   6.351
   18    HE1  HIS   2           HE1      HIS   2 -15.331  -4.420   9.698
   19    HE2  HIS   2           HE2      HIS   2 -17.209  -4.575   8.000
   20    H    PHE   3           HN       PHE   3 -14.793  -8.392   4.282
   21    HA   PHE   3           HA       PHE   3 -13.264 -10.726   3.465
   22    HB2  PHE   3           HB2      PHE   3 -15.449  -9.714   1.721
   23    HB3  PHE   3           HB1      PHE   3 -15.152 -11.346   2.320
   24    HD1  PHE   3           HD2      PHE   3 -15.601 -11.833   4.794
   25    HD2  PHE   3           HD1      PHE   3 -16.993  -8.289   2.806
   26    HE1  PHE   3           HE2      PHE   3 -17.267 -11.477   6.596
   27    HE2  PHE   3           HE1      PHE   3 -18.660  -7.934   4.608
   28    HZ   PHE   3           HZ       PHE   3 -18.797  -9.528   6.503
   29    H    CYS   4           HN       CYS   4 -11.407 -10.396   2.311
   30    HA   CYS   4           HA       CYS   4 -10.649  -8.162   0.847
   31    HB2  CYS   4           HB2      CYS   4  -9.201 -10.137   1.331
   32    HB3  CYS   4           HB1      CYS   4 -10.041 -11.022   0.058
   33    H    ASP   5           HN       ASP   5 -10.878  -7.486  -1.306
   34    HA   ASP   5           HA       ASP   5 -13.353  -8.340  -2.601
   35    HB2  ASP   5           HB2      ASP   5 -12.157  -5.951  -2.497
   36    HB3  ASP   5           HB1      ASP   5 -11.410  -6.542  -3.981
   37    H    LYS   6           HN       LYS   6  -9.940  -9.015  -2.915
   38    HA   LYS   6           HA       LYS   6 -10.394 -10.324  -5.539
   39    HB2  LYS   6           HB2      LYS   6  -8.396  -8.716  -4.943
   40    HB3  LYS   6           HB1      LYS   6  -7.731 -10.157  -4.178
   41    HG2  LYS   6           HG2      LYS   6  -6.894 -10.218  -6.395
   42    HG3  LYS   6           HG1      LYS   6  -8.222 -11.375  -6.374
   43    HD2  LYS   6           HD2      LYS   6  -9.370  -8.859  -7.018
   44    HD3  LYS   6           HD1      LYS   6  -7.918  -9.018  -8.002
   45    HE2  LYS   6           HE2      LYS   6 -10.089 -11.120  -7.774
   46    HE3  LYS   6           HE1      LYS   6  -9.911  -9.993  -9.119
   47    HZ1  LYS   6           HZ1      LYS   6  -8.749 -11.768  -9.909
   48    HZ2  LYS   6           HZ2      LYS   6  -8.240 -12.281  -8.371
   49    HZ3  LYS   6           HZ3      LYS   6  -7.492 -10.950  -9.118
   50    H    CYS   7           HN       CYS   7  -8.614 -11.068  -2.537
   51    HA   CYS   7           HA       CYS   7  -8.587 -13.888  -3.054
   52    HB2  CYS   7           HB2      CYS   7  -8.343 -12.632  -0.322
   53    HB3  CYS   7           HB1      CYS   7  -7.579 -14.105  -0.918
   54    H    GLY   8           HN       GLY   8 -11.051 -11.818  -1.883
   55    HA2  GLY   8           HA2      GLY   8 -13.177 -12.274  -0.998
   56    HA3  GLY   8           HA1      GLY   8 -13.012 -13.853  -1.765
   57    H    LEU   9           HN       LEU   9 -10.484 -13.225   0.405
   58    HA   LEU   9           HA       LEU   9 -11.714 -15.072   2.390
   59    HB2  LEU   9           HB2      LEU   9  -8.882 -14.290   1.708
   60    HB3  LEU   9           HB1      LEU   9  -9.250 -15.062   3.247
   61    HG   LEU   9           HG       LEU   9 -10.349 -16.288   0.746
   62   HD11  LEU   9          HD11      LEU   9  -8.080 -17.674   0.896
   63   HD12  LEU   9          HD12      LEU   9  -7.464 -16.148   1.531
   64   HD13  LEU   9          HD13      LEU   9  -8.188 -16.207  -0.076
   65   HD21  LEU   9          HD21      LEU   9  -9.239 -17.390   3.351
   66   HD22  LEU   9          HD22      LEU   9  -9.944 -18.359   2.059
   67   HD23  LEU   9          HD23      LEU   9 -10.946 -17.213   2.945
   68    HA   PRO  10           HA       PRO  10 -12.294 -11.793   5.292
   69    HB2  PRO  10           HB2      PRO  10 -11.471 -12.989   7.649
   70    HB3  PRO  10           HB1      PRO  10 -13.082 -13.138   6.925
   71    HG2  PRO  10           HG2      PRO  10 -10.805 -15.035   6.876
   72    HG3  PRO  10           HG1      PRO  10 -12.545 -15.356   6.899
   73    HD2  PRO  10           HD2      PRO  10 -11.025 -15.605   4.641
   74    HD3  PRO  10           HD1      PRO  10 -12.747 -15.173   4.600
   75    H    ILE  11           HN       ILE  11 -10.806 -10.284   4.783
   76    HA   ILE  11           HA       ILE  11  -8.035 -10.280   4.922
   77    HB   ILE  11           HB       ILE  11  -9.946  -8.027   5.596
   78   HG12  ILE  11          HG12      ILE  11  -8.472  -8.535   3.010
   79   HG13  ILE  11          HG11      ILE  11 -10.061  -9.227   3.314
   80   HG21  ILE  11          HG21      ILE  11  -7.029  -8.211   5.511
   81   HG22  ILE  11          HG22      ILE  11  -8.051  -6.947   6.186
   82   HG23  ILE  11          HG23      ILE  11  -7.668  -6.943   4.465
   83   HD11  ILE  11          HD11      ILE  11  -9.575  -6.693   2.286
   84   HD12  ILE  11          HD12      ILE  11  -9.935  -6.379   3.980
   85   HD13  ILE  11          HD13      ILE  11 -11.101  -7.245   2.977
   86    H    LYS  12           HN       LYS  12  -6.717 -10.782   6.579
   87    HA   LYS  12           HA       LYS  12  -7.634 -10.528   9.364
   88    HB2  LYS  12           HB2      LYS  12  -6.181 -12.439   8.500
   89    HB3  LYS  12           HB1      LYS  12  -4.863 -11.272   8.381
   90    HG2  LYS  12           HG2      LYS  12  -5.109 -10.757  10.788
   91    HG3  LYS  12           HG1      LYS  12  -6.404 -11.948  10.905
   92    HD2  LYS  12           HD2      LYS  12  -4.804 -13.475  11.354
   93    HD3  LYS  12           HD1      LYS  12  -4.323 -13.331   9.663
   94    HE2  LYS  12           HE2      LYS  12  -2.367 -12.947  11.050
   95    HE3  LYS  12           HE1      LYS  12  -2.836 -11.416  10.309
   96    HZ1  LYS  12           HZ1      LYS  12  -3.539 -10.569  12.274
   97    HZ2  LYS  12           HZ2      LYS  12  -2.366 -11.638  12.881
   98    HZ3  LYS  12           HZ3      LYS  12  -4.009 -12.074  12.901
   99    H    VAL  13           HN       VAL  13  -5.517  -8.913   7.083
  100    HA   VAL  13           HA       VAL  13  -5.254  -6.651   8.986
  101    HB   VAL  13           HB       VAL  13  -2.935  -7.295   7.264
  102   HG11  VAL  13          HG11      VAL  13  -3.102  -5.273   8.750
  103   HG12  VAL  13          HG12      VAL  13  -1.703  -6.290   9.094
  104   HG13  VAL  13          HG13      VAL  13  -3.124  -6.361  10.136
  105   HG21  VAL  13          HG21      VAL  13  -2.025  -8.777   9.109
  106   HG22  VAL  13          HG22      VAL  13  -3.341  -9.488   8.176
  107   HG23  VAL  13          HG23      VAL  13  -3.657  -8.818   9.776
  108    H    TYR  14           HN       TYR  14  -5.312  -4.647   7.903
  109    HA   TYR  14           HA       TYR  14  -6.466  -4.712   5.259
  110    HB2  TYR  14           HB2      TYR  14  -5.679  -2.563   7.172
  111    HB3  TYR  14           HB1      TYR  14  -6.016  -2.141   5.498
  112    HD1  TYR  14           HD2      TYR  14  -7.701  -4.951   7.267
  113    HD2  TYR  14           HD1      TYR  14  -8.022  -0.891   5.925
  114    HE1  TYR  14           HE2      TYR  14 -10.131  -4.999   7.713
  115    HE2  TYR  14           HE1      TYR  14 -10.458  -0.932   6.381
  116    HH   TYR  14           HH       TYR  14 -11.942  -3.379   8.196
  117    H    GLY  15           HN       GLY  15  -5.090  -5.411   3.698
  118    HA2  GLY  15           HA2      GLY  15  -2.338  -4.491   3.490
  119    HA3  GLY  15           HA1      GLY  15  -3.195  -5.458   2.285
  120    H    ARG  16           HN       ARG  16  -2.657  -2.240   3.487
  121    HA   ARG  16           HA       ARG  16  -4.389  -0.969   1.514
  122    HB2  ARG  16           HB2      ARG  16  -3.936   0.089   3.693
  123    HB3  ARG  16           HB1      ARG  16  -2.229   0.229   3.272
  124    HG2  ARG  16           HG2      ARG  16  -2.610   2.113   2.102
  125    HG3  ARG  16           HG1      ARG  16  -3.878   1.328   1.161
  126    HD2  ARG  16           HD2      ARG  16  -5.530   1.804   2.844
  127    HD3  ARG  16           HD1      ARG  16  -4.299   2.385   3.966
  128    HE   ARG  16           HE       ARG  16  -5.497   3.924   1.828
  129   HH11  ARG  16          HH21      ARG  16  -2.620   3.316   3.626
  130   HH12  ARG  16          HH22      ARG  16  -1.975   4.906   3.387
  131   HH21  ARG  16          HH11      ARG  16  -4.672   6.006   1.510
  132   HH22  ARG  16          HH12      ARG  16  -3.136   6.428   2.188
  133    H    MET  17           HN       MET  17  -3.838  -0.003  -0.397
  134    HA   MET  17           HA       MET  17  -0.991  -0.225  -1.274
  135    HB2  MET  17           HB2      MET  17  -3.229  -0.507  -3.242
  136    HB3  MET  17           HB1      MET  17  -1.591  -1.152  -3.315
  137    HG2  MET  17           HG2      MET  17  -2.188  -2.691  -1.417
  138    HG3  MET  17           HG1      MET  17  -3.847  -2.115  -1.544
  139    HE1  MET  17           HE1      MET  17  -1.413  -5.000  -3.299
  140    HE2  MET  17           HE2      MET  17  -0.853  -3.335  -3.203
  141    HE3  MET  17           HE3      MET  17  -1.322  -4.008  -4.758
  142    H    ILE  18           HN       ILE  18  -0.184   1.611  -2.140
  143    HA   ILE  18           HA       ILE  18  -2.081   3.820  -2.779
  144    HB   ILE  18           HB       ILE  18   0.291   5.092  -2.454
  145   HG12  ILE  18          HG12      ILE  18   0.349   2.797  -0.487
  146   HG13  ILE  18          HG11      ILE  18   1.415   2.968  -1.886
  147   HG21  ILE  18          HG21      ILE  18  -1.570   4.253  -0.202
  148   HG22  ILE  18          HG22      ILE  18  -1.859   5.603  -1.299
  149   HG23  ILE  18          HG23      ILE  18  -0.499   5.654  -0.180
  150   HD11  ILE  18          HD11      ILE  18   2.780   4.292  -0.690
  151   HD12  ILE  18          HD12      ILE  18   1.715   4.129   0.707
  152   HD13  ILE  18          HD13      ILE  18   1.456   5.432  -0.451
  153    HA   PRO  19           HA       PRO  19  -1.552   5.934  -3.594
  154    HB2  PRO  19           HB2      PRO  19  -2.321   7.289  -5.799
  155    HB3  PRO  19           HB1      PRO  19  -0.647   7.334  -5.210
  156    HG2  PRO  19           HG2      PRO  19  -1.815   5.820  -7.481
  157    HG3  PRO  19           HG1      PRO  19  -0.225   6.585  -7.328
  158    HD2  PRO  19           HD2      PRO  19  -0.725   3.857  -6.997
  159    HD3  PRO  19           HD1      PRO  19   0.709   4.713  -6.400
  160    H    CYS  20           HN       CYS  20  -2.686   3.326  -5.226
  161    HA   CYS  20           HA       CYS  20  -5.314   3.950  -6.041
  162    HB2  CYS  20           HB2      CYS  20  -3.938   1.707  -6.139
  163    HB3  CYS  20           HB1      CYS  20  -4.722   1.385  -4.594
  164    H    LYS  21           HN       LYS  21  -3.994   3.322  -2.832
  165    HA   LYS  21           HA       LYS  21  -4.911   3.748  -0.716
  166    HB2  LYS  21           HB2      LYS  21  -5.996   5.719  -2.363
  167    HB3  LYS  21           HB1      LYS  21  -7.414   4.966  -1.630
  168    HG2  LYS  21           HG2      LYS  21  -6.196   5.188   0.609
  169    HG3  LYS  21           HG1      LYS  21  -5.055   6.237  -0.233
  170    HD2  LYS  21           HD2      LYS  21  -7.334   7.385  -1.061
  171    HD3  LYS  21           HD1      LYS  21  -7.911   6.722   0.469
  172    HE2  LYS  21           HE2      LYS  21  -5.695   7.770   1.427
  173    HE3  LYS  21           HE1      LYS  21  -5.777   8.777  -0.017
  174    HZ1  LYS  21           HZ1      LYS  21  -7.871   9.602   0.610
  175    HZ2  LYS  21           HZ2      LYS  21  -6.924   9.665   2.018
  176    HZ3  LYS  21           HZ3      LYS  21  -8.074   8.431   1.819
  177    H    HIS  22           HN       HIS  22  -5.525   1.445  -2.475
  178    HA   HIS  22           HA       HIS  22  -8.293   0.746  -1.700
  179    HB2  HIS  22           HB2      HIS  22  -6.228  -0.502  -3.503
  180    HB3  HIS  22           HB1      HIS  22  -7.648  -1.413  -2.993
  181    HD2  HIS  22           HD2      HIS  22  -8.665   2.226  -3.452
  182    HE1  HIS  22           HE1      HIS  22  -9.475   0.347  -7.144
  183    HE2  HIS  22           HE2      HIS  22  -9.853   2.441  -5.763
  184    H    VAL  23           HN       VAL  23  -8.238  -1.907  -1.179
  185    HA   VAL  23           HA       VAL  23  -6.143  -2.373   0.864
  186    HB   VAL  23           HB       VAL  23  -8.635  -3.308   1.913
  187   HG11  VAL  23          HG11      VAL  23  -6.656  -1.199   2.820
  188   HG12  VAL  23          HG12      VAL  23  -6.595  -2.920   3.205
  189   HG13  VAL  23          HG13      VAL  23  -7.905  -1.923   3.827
  190   HG21  VAL  23          HG21      VAL  23  -9.631  -1.462   0.597
  191   HG22  VAL  23          HG22      VAL  23  -8.499  -0.331   1.339
  192   HG23  VAL  23          HG23      VAL  23  -9.718  -1.133   2.327
  193    H    PHE  24           HN       PHE  24  -5.980  -4.596   1.516
  194    HA   PHE  24           HA       PHE  24  -7.577  -6.682   0.247
  195    HB2  PHE  24           HB2      PHE  24  -4.694  -6.347  -0.657
  196    HB3  PHE  24           HB1      PHE  24  -5.757  -7.683  -1.080
  197    HD1  PHE  24           HD1      PHE  24  -5.053  -4.108  -1.573
  198    HD2  PHE  24           HD2      PHE  24  -7.510  -7.424  -2.740
  199    HE1  PHE  24           HE1      PHE  24  -5.846  -2.817  -3.533
  200    HE2  PHE  24           HE2      PHE  24  -8.310  -6.137  -4.699
  201    HZ   PHE  24           HZ       PHE  24  -7.475  -3.844  -5.112
  202    H    CYS  25           HN       CYS  25  -6.598  -8.890   0.881
  203    HA   CYS  25           HA       CYS  25  -5.811  -8.856   3.630
  204    HB2  CYS  25           HB2      CYS  25  -4.724 -11.202   2.403
  205    HB3  CYS  25           HB1      CYS  25  -6.171 -11.073   3.399
  206    H    TYR  26           HN       TYR  26  -3.919  -7.974   4.361
  207    HA   TYR  26           HA       TYR  26  -1.762  -7.160   2.802
  208    HB2  TYR  26           HB2      TYR  26  -2.079  -6.580   5.202
  209    HB3  TYR  26           HB1      TYR  26  -1.580  -8.213   5.629
  210    HD1  TYR  26           HD1      TYR  26  -0.300  -5.486   3.327
  211    HD2  TYR  26           HD2      TYR  26   0.597  -8.379   6.380
  212    HE1  TYR  26           HE1      TYR  26   2.075  -4.803   3.281
  213    HE2  TYR  26           HE2      TYR  26   2.976  -7.692   6.326
  214    HH   TYR  26           HH       TYR  26   4.139  -5.275   3.992
  215    H    ASP  27           HN       ASP  27  -2.585 -10.396   3.692
  216    HA   ASP  27           HA       ASP  27   0.071 -11.492   3.238
  217    HB2  ASP  27           HB2      ASP  27  -2.407 -13.139   2.869
  218    HB3  ASP  27           HB1      ASP  27  -0.885 -13.573   3.650
  219    H    CYS  28           HN       CYS  28  -2.864 -11.042   1.333
  220    HA   CYS  28           HA       CYS  28  -1.609 -12.217  -1.038
  221    HB2  CYS  28           HB2      CYS  28  -3.721 -12.291  -1.871
  222    HB3  CYS  28           HB1      CYS  28  -4.244 -11.819  -0.255
  223    H    ALA  29           HN       ALA  29  -1.908  -9.126   0.472
  224    HA   ALA  29           HA       ALA  29  -1.432  -7.537  -1.887
  225    HB1  ALA  29           HB1      ALA  29  -2.297  -6.860   0.536
  226    HB2  ALA  29           HB2      ALA  29  -1.374  -5.712  -0.433
  227    HB3  ALA  29           HB3      ALA  29  -0.576  -6.630   0.845
  228    H    ILE  30           HN       ILE  30   0.605  -9.173   0.502
  229    HA   ILE  30           HA       ILE  30   3.033  -8.001  -0.615
  230    HB   ILE  30           HB       ILE  30   4.209  -9.471   0.935
  231   HG12  ILE  30          HG12      ILE  30   1.492 -10.570   1.664
  232   HG13  ILE  30          HG11      ILE  30   2.664 -11.454   0.691
  233   HG21  ILE  30          HG21      ILE  30   2.281  -8.780   2.875
  234   HG22  ILE  30          HG22      ILE  30   2.169  -7.570   1.597
  235   HG23  ILE  30          HG23      ILE  30   3.709  -7.862   2.403
  236   HD11  ILE  30          HD11      ILE  30   2.990 -10.531   3.553
  237   HD12  ILE  30          HD12      ILE  30   4.310 -11.180   2.579
  238   HD13  ILE  30          HD13      ILE  30   2.920 -12.193   2.968
  239    H    LEU  31           HN       LEU  31   1.186 -11.006  -0.918
  240    HA   LEU  31           HA       LEU  31   3.164 -12.410  -2.466
  241    HB2  LEU  31           HB2      LEU  31   0.140 -12.594  -2.478
  242    HB3  LEU  31           HB1      LEU  31   1.171 -13.679  -3.399
  243    HG   LEU  31           HG       LEU  31   1.594 -13.298  -0.435
  244   HD11  LEU  31          HD11      LEU  31  -0.605 -14.717  -1.824
  245   HD12  LEU  31          HD12      LEU  31  -0.523 -14.112  -0.170
  246   HD13  LEU  31          HD13      LEU  31   0.231 -15.650  -0.584
  247   HD21  LEU  31          HD21      LEU  31   3.074 -15.005  -0.664
  248   HD22  LEU  31          HD22      LEU  31   2.978 -14.710  -2.397
  249   HD23  LEU  31          HD23      LEU  31   1.960 -15.941  -1.656
  250    H    HIS  32           HN       HIS  32   0.614 -10.102  -3.306
  251    HA   HIS  32           HA       HIS  32   1.044 -10.289  -6.157
  252    HB2  HIS  32           HB2      HIS  32  -0.442  -8.481  -4.312
  253    HB3  HIS  32           HB1      HIS  32  -0.034  -7.843  -5.906
  254    HD1  HIS  32           HD1      HIS  32  -0.960  -9.183  -7.997
  255    HD2  HIS  32           HD2      HIS  32  -2.455 -10.449  -4.313
  256    HE1  HIS  32           HE1      HIS  32  -2.971 -10.644  -8.501
  257    HE2  HIS  32           HE2      HIS  32  -3.887 -11.418  -6.267
  258    H    GLU  33           HN       GLU  33   2.395  -8.331  -3.550
  259    HA   GLU  33           HA       GLU  33   3.828  -6.526  -5.284
  260    HB2  GLU  33           HB2      GLU  33   4.309  -5.496  -3.336
  261    HB3  GLU  33           HB1      GLU  33   3.378  -6.751  -2.531
  262    HG2  GLU  33           HG2      GLU  33   5.455  -8.133  -2.346
  263    HG3  GLU  33           HG1      GLU  33   6.368  -6.794  -3.055
  264    H    LYS  34           HN       LYS  34   4.566  -9.658  -3.826
  265    HA   LYS  34           HA       LYS  34   7.343  -9.627  -4.696
  266    HB2  LYS  34           HB2      LYS  34   5.487 -11.621  -3.460
  267    HB3  LYS  34           HB1      LYS  34   6.915 -12.233  -4.295
  268    HG2  LYS  34           HG2      LYS  34   8.388 -11.227  -2.809
  269    HG3  LYS  34           HG1      LYS  34   7.244  -9.957  -2.375
  270    HD2  LYS  34           HD2      LYS  34   5.942 -11.470  -1.037
  271    HD3  LYS  34           HD1      LYS  34   6.839 -12.865  -1.638
  272    HE2  LYS  34           HE2      LYS  34   8.874 -12.077  -0.549
  273    HE3  LYS  34           HE1      LYS  34   8.058 -10.604  -0.026
  274    HZ1  LYS  34           HZ1      LYS  34   8.255 -12.646   1.559
  275    HZ2  LYS  34           HZ2      LYS  34   6.898 -13.199   0.698
  276    HZ3  LYS  34           HZ3      LYS  34   6.835 -11.718   1.528
  277    H    LYS  35           HN       LYS  35   4.282 -10.377  -6.125
  278    HA   LYS  35           HA       LYS  35   5.411 -12.035  -8.241
  279    HB2  LYS  35           HB2      LYS  35   2.685 -10.892  -7.698
  280    HB3  LYS  35           HB1      LYS  35   3.053 -11.663  -9.239
  281    HG2  LYS  35           HG2      LYS  35   3.604 -13.741  -8.166
  282    HG3  LYS  35           HG1      LYS  35   3.555 -12.995  -6.568
  283    HD2  LYS  35           HD2      LYS  35   1.198 -12.742  -6.634
  284    HD3  LYS  35           HD1      LYS  35   1.137 -13.018  -8.376
  285    HE2  LYS  35           HE2      LYS  35   1.973 -15.094  -6.330
  286    HE3  LYS  35           HE1      LYS  35   0.378 -15.004  -7.074
  287    HZ1  LYS  35           HZ1      LYS  35   2.508 -16.364  -8.061
  288    HZ2  LYS  35           HZ2      LYS  35   2.517 -14.937  -8.984
  289    HZ3  LYS  35           HZ3      LYS  35   1.131 -15.918  -8.943
  290    H    GLY  36           HN       GLY  36   3.463  -9.079  -8.584
  291    HA2  GLY  36           HA2      GLY  36   5.048  -8.393 -10.989
  292    HA3  GLY  36           HA1      GLY  36   3.538  -7.627 -10.498
  293    H    ASP  37           HN       ASP  37   4.322  -7.111  -7.772
  294    HA   ASP  37           HA       ASP  37   5.580  -5.587  -6.482
  295    HB2  ASP  37           HB2      ASP  37   7.474  -6.626  -8.100
  296    HB3  ASP  37           HB1      ASP  37   7.478  -4.958  -8.674
  297    H    LYS  38           HN       LYS  38   3.620  -4.908  -8.895
  298    HA   LYS  38           HA       LYS  38   3.566  -2.093  -8.322
  299    HB2  LYS  38           HB2      LYS  38   4.045  -1.454 -10.740
  300    HB3  LYS  38           HB1      LYS  38   5.411  -1.849  -9.698
  301    HG2  LYS  38           HG2      LYS  38   5.901  -3.768 -10.833
  302    HG3  LYS  38           HG1      LYS  38   4.201  -4.150 -11.110
  303    HD2  LYS  38           HD2      LYS  38   4.101  -2.413 -12.872
  304    HD3  LYS  38           HD1      LYS  38   5.809  -2.055 -12.606
  305    HE2  LYS  38           HE2      LYS  38   5.946  -4.738 -12.967
  306    HE3  LYS  38           HE1      LYS  38   4.549  -4.366 -13.977
  307    HZ1  LYS  38           HZ1      LYS  38   5.949  -2.559 -14.974
  308    HZ2  LYS  38           HZ2      LYS  38   6.446  -4.145 -15.334
  309    HZ3  LYS  38           HZ3      LYS  38   7.280  -3.233 -14.168
  310    H    MET  39           HN       MET  39   1.716  -4.466  -8.617
  311    HA   MET  39           HA       MET  39  -0.272  -3.076 -10.319
  312    HB2  MET  39           HB2      MET  39  -0.988  -5.247 -11.298
  313    HB3  MET  39           HB1      MET  39   0.632  -4.765 -11.786
  314    HG2  MET  39           HG2      MET  39   1.479  -6.188  -9.823
  315    HG3  MET  39           HG1      MET  39  -0.157  -6.830  -9.725
  316    HE1  MET  39           HE1      MET  39   1.836  -6.025 -13.348
  317    HE2  MET  39           HE2      MET  39   3.028  -7.233 -12.878
  318    HE3  MET  39           HE3      MET  39   2.677  -5.887 -11.799
  319    H    CYS  40           HN       CYS  40  -2.177  -2.963  -9.367
  320    HA   CYS  40           HA       CYS  40  -2.580  -4.034  -6.725
  321    HB2  CYS  40           HB2      CYS  40  -3.649  -1.932  -7.985
  322    HB3  CYS  40           HB1      CYS  40  -4.925  -3.102  -8.313
  323    HA   PRO  41           HA       PRO  41  -3.936  -8.181  -7.762
  324    HB2  PRO  41           HB2      PRO  41  -6.077  -7.741  -5.741
  325    HB3  PRO  41           HB1      PRO  41  -4.913  -9.071  -5.882
  326    HG2  PRO  41           HG2      PRO  41  -4.682  -7.094  -4.065
  327    HG3  PRO  41           HG1      PRO  41  -3.298  -7.956  -4.752
  328    HD2  PRO  41           HD2      PRO  41  -4.170  -5.181  -5.217
  329    HD3  PRO  41           HD1      PRO  41  -2.586  -5.935  -5.503
  330    H    GLY  42           HN       GLY  42  -6.575  -5.844  -7.161
  331    HA2  GLY  42           HA2      GLY  42  -8.102  -7.146  -9.394
  332    HA3  GLY  42           HA1      GLY  42  -8.839  -6.246  -8.078
  333    H    CYS  43           HN       CYS  43  -6.773  -4.081  -8.304
  334    HA   CYS  43           HA       CYS  43  -8.110  -2.653 -10.516
  335    HB2  CYS  43           HB2      CYS  43  -6.131  -1.163  -8.963
  336    HB3  CYS  43           HB1      CYS  43  -7.836  -0.809  -9.246
  337    H    SER  44           HN       SER  44  -5.128  -4.236  -9.912
  338    HA   SER  44           HA       SER  44  -3.088  -4.238 -11.088
  339    HB2  SER  44           HB2      SER  44  -3.334  -4.429 -13.437
  340    HB3  SER  44           HB1      SER  44  -4.876  -4.988 -12.797
  341    HG   SER  44           HG       SER  44  -4.213  -2.514 -13.988
  342    H    ASP  45           HN       ASP  45  -3.706  -1.773  -9.752
  343    HA   ASP  45           HA       ASP  45  -2.931   0.357 -11.643
  344    HB2  ASP  45           HB2      ASP  45  -4.248   0.221  -9.044
  345    HB3  ASP  45           HB1      ASP  45  -2.964   1.428  -9.061
  346    HA   PRO  46           HA       PRO  46   1.356   0.342 -10.687
  347    HB2  PRO  46           HB2      PRO  46   1.857   3.023 -10.104
  348    HB3  PRO  46           HB1      PRO  46   1.751   2.333 -11.731
  349    HG2  PRO  46           HG2      PRO  46  -0.288   3.836 -10.181
  350    HG3  PRO  46           HG1      PRO  46   0.070   3.870 -11.916
  351    HD2  PRO  46           HD2      PRO  46  -2.072   2.534 -10.916
  352    HD3  PRO  46           HD1      PRO  46  -1.193   1.967 -12.354
  353    H    VAL  47           HN       VAL  47   0.589  -0.857  -8.618
  354    HA   VAL  47           HA       VAL  47   0.226   0.238  -6.091
  355    HB   VAL  47           HB       VAL  47   2.019  -2.101  -6.758
  356   HG11  VAL  47          HG11      VAL  47   1.316  -2.845  -4.470
  357   HG12  VAL  47          HG12      VAL  47   0.640  -1.234  -4.226
  358   HG13  VAL  47          HG13      VAL  47   2.372  -1.434  -4.488
  359   HG21  VAL  47          HG21      VAL  47  -0.320  -2.139  -7.691
  360   HG22  VAL  47          HG22      VAL  47  -0.907  -2.083  -6.031
  361   HG23  VAL  47          HG23      VAL  47   0.055  -3.455  -6.581
  362    H    GLN  48           HN       GLN  48   1.387   2.167  -5.669
  363    HA   GLN  48           HA       GLN  48   4.201   2.462  -6.150
  364    HB2  GLN  48           HB2      GLN  48   2.956   4.479  -5.882
  365    HB3  GLN  48           HB1      GLN  48   2.263   3.934  -4.355
  366    HG2  GLN  48           HG2      GLN  48   4.155   4.449  -3.160
  367    HG3  GLN  48           HG1      GLN  48   5.233   4.067  -4.503
  368   HE21  GLN  48          HE21      GLN  48   5.390   5.724  -6.270
  369   HE22  GLN  48          HE22      GLN  48   5.062   7.352  -5.916
  370    H    ARG  49           HN       ARG  49   2.465   2.101  -3.036
  371    HA   ARG  49           HA       ARG  49   4.553   0.206  -2.194
  372    HB2  ARG  49           HB2      ARG  49   5.738   1.709  -1.016
  373    HB3  ARG  49           HB1      ARG  49   4.582   2.975  -1.400
  374    HG2  ARG  49           HG2      ARG  49   3.181   2.317   0.506
  375    HG3  ARG  49           HG1      ARG  49   4.279   0.979   0.868
  376    HD2  ARG  49           HD2      ARG  49   5.338   3.785   0.699
  377    HD3  ARG  49           HD1      ARG  49   4.543   3.230   2.172
  378    HE   ARG  49           HE       ARG  49   6.490   1.291   1.391
  379   HH11  ARG  49          HH21      ARG  49   6.150   4.506   2.586
  380   HH12  ARG  49          HH22      ARG  49   7.656   4.490   3.442
  381   HH21  ARG  49          HH11      ARG  49   8.460   1.251   2.501
  382   HH22  ARG  49          HH12      ARG  49   8.964   2.647   3.394
  383    H    ILE  50           HN       ILE  50   3.753  -1.307  -0.771
  384    HA   ILE  50           HA       ILE  50   0.887  -1.063  -0.113
  385    HB   ILE  50           HB       ILE  50   2.605  -3.459   0.456
  386   HG12  ILE  50          HG12      ILE  50   1.454  -2.508  -2.162
  387   HG13  ILE  50          HG11      ILE  50   3.095  -3.042  -1.820
  388   HG21  ILE  50          HG21      ILE  50   0.603  -4.606   0.594
  389   HG22  ILE  50          HG22      ILE  50  -0.213  -3.521  -0.528
  390   HG23  ILE  50          HG23      ILE  50   0.075  -3.014   1.135
  391   HD11  ILE  50          HD11      ILE  50   0.598  -4.727  -2.014
  392   HD12  ILE  50          HD12      ILE  50   2.068  -5.320  -1.242
  393   HD13  ILE  50          HD13      ILE  50   2.085  -4.870  -2.948
  394    H    GLU  51           HN       GLU  51   0.139  -1.254   1.959
  395    HA   GLU  51           HA       GLU  51   2.112  -1.284   4.173
  396    HB2  GLU  51           HB2      GLU  51  -0.054   0.817   3.912
  397    HB3  GLU  51           HB1      GLU  51   1.140   0.691   5.207
  398    HG2  GLU  51           HG2      GLU  51   2.946   0.922   3.483
  399    HG3  GLU  51           HG1      GLU  51   1.694   1.227   2.278
  400    H    GLN  52           HN       GLN  52   1.180  -1.856   6.212
  401    HA   GLN  52           HA       GLN  52  -1.399  -3.330   5.940
  402    HB2  GLN  52           HB2      GLN  52  -0.610  -4.873   7.544
  403    HB3  GLN  52           HB1      GLN  52   0.802  -4.546   6.539
  404    HG2  GLN  52           HG2      GLN  52   1.319  -2.666   8.255
  405    HG3  GLN  52           HG1      GLN  52   0.185  -3.520   9.305
  406   HE21  GLN  52          HE21      GLN  52   0.714  -5.851   9.789
  407   HE22  GLN  52          HE22      GLN  52   2.335  -6.352   9.758
  408    H    CYS  53           HN       CYS  53  -3.065  -2.865   7.351
  409    HA   CYS  53           HA       CYS  53  -2.513  -1.076   9.654
  410    HB2  CYS  53           HB2      CYS  53  -3.810  -0.279   7.198
  411    HB3  CYS  53           HB1      CYS  53  -4.940  -0.164   8.547
  412    H    THR  54           HN       THR  54  -4.481  -0.936  11.102
  413    HA   THR  54           HA       THR  54  -5.639  -3.613  11.391
  414    HB   THR  54           HB       THR  54  -6.852  -1.884  13.245
  415    HG1  THR  54           HG1      THR  54  -4.099  -1.297  12.898
  416   HG21  THR  54          HG21      THR  54  -4.397  -3.650  13.436
  417   HG22  THR  54          HG22      THR  54  -6.067  -4.123  13.753
  418   HG23  THR  54          HG23      THR  54  -5.254  -2.987  14.829
  419    H    ARG  55           HN       ARG  55  -7.999  -3.937  11.548
  420    HA   ARG  55           HA       ARG  55  -9.388  -2.567   9.413
  421    HB2  ARG  55           HB2      ARG  55 -11.275  -4.005   9.964
  422    HB3  ARG  55           HB1      ARG  55  -9.795  -4.963  10.035
  423    HG2  ARG  55           HG2      ARG  55  -9.740  -4.404  12.540
  424    HG3  ARG  55           HG1      ARG  55 -11.404  -3.852  12.338
  425    HD2  ARG  55           HD2      ARG  55 -11.464  -6.168  13.044
  426    HD3  ARG  55           HD1      ARG  55 -11.958  -6.097  11.352
  427    HE   ARG  55           HE       ARG  55  -9.990  -7.279  10.777
  428   HH11  ARG  55          HH21      ARG  55  -9.890  -6.021  13.986
  429   HH12  ARG  55          HH22      ARG  55  -8.435  -6.858  14.412
  430   HH21  ARG  55          HH11      ARG  55  -8.091  -8.381  11.315
  431   HH22  ARG  55          HH12      ARG  55  -7.417  -8.194  12.899
  432    H    GLY  56           HN       GLY  56  -8.515  -0.856  11.597
  433    HA2  GLY  56           HA2      GLY  56 -11.111   0.475  12.077
  434    HA3  GLY  56           HA1      GLY  56 -10.132   0.093  13.499
  435    H    SER  57           HN       SER  57  -8.299   0.664  10.696
  436    HA   SER  57           HA       SER  57  -7.413   3.261  11.823
  437    HB2  SER  57           HB2      SER  57  -6.201   1.413   9.758
  438    HB3  SER  57           HB1      SER  57  -5.510   2.973  10.196
  439    HG   SER  57           HG       SER  57  -5.632   0.591  11.616
  440    H    LEU  58           HN       LEU  58  -8.975   1.917   8.981
  441    HA   LEU  58           HA       LEU  58  -9.031   4.657   7.764
  442    HB2  LEU  58           HB2      LEU  58  -9.808   2.299   6.138
  443    HB3  LEU  58           HB1      LEU  58  -8.910   3.737   5.672
  444    HG   LEU  58           HG       LEU  58  -7.819   1.416   7.292
  445   HD11  LEU  58          HD11      LEU  58  -7.030   2.361   4.532
  446   HD12  LEU  58          HD12      LEU  58  -8.252   1.117   4.785
  447   HD13  LEU  58          HD13      LEU  58  -6.591   0.847   5.321
  448   HD21  LEU  58          HD21      LEU  58  -5.736   3.005   6.316
  449   HD22  LEU  58          HD22      LEU  58  -6.290   2.939   7.986
  450   HD23  LEU  58          HD23      LEU  58  -6.924   4.170   6.897
  451    H    PHE  59           HN       PHE  59 -11.075   4.939   6.363
  452    HA   PHE  59           HA       PHE  59 -13.437   3.889   7.864
  453    HB2  PHE  59           HB2      PHE  59 -13.167   6.534   6.406
  454    HB3  PHE  59           HB1      PHE  59 -14.570   5.989   7.326
  455    HD1  PHE  59           HD2      PHE  59 -10.932   6.769   7.637
  456    HD2  PHE  59           HD1      PHE  59 -14.693   6.318   9.662
  457    HE1  PHE  59           HE2      PHE  59  -9.919   7.663   9.717
  458    HE2  PHE  59           HE1      PHE  59 -13.681   7.211  11.742
  459    HZ   PHE  59           HZ       PHE  59 -11.293   7.883  11.769
  460    H    MET  60           HN       MET  60 -14.733   2.606   6.648
  461    HA   MET  60           HA       MET  60 -14.263   2.415   3.750
  462    HB2  MET  60           HB2      MET  60 -14.920   0.573   5.668
  463    HB3  MET  60           HB1      MET  60 -16.491   0.880   4.926
  464    HG2  MET  60           HG2      MET  60 -13.956   0.081   3.467
  465    HG3  MET  60           HG1      MET  60 -15.360  -0.947   3.751
  466    HE1  MET  60           HE1      MET  60 -13.885  -0.234   1.018
  467    HE2  MET  60           HE2      MET  60 -13.609   1.445   1.476
  468    HE3  MET  60           HE3      MET  60 -14.584   1.075   0.056
  469    H    CYS  61           HN       CYS  61 -15.776   2.916   2.150
  470    HA   CYS  61           HA       CYS  61 -17.959   4.747   3.002
  471    HB2  CYS  61           HB2      CYS  61 -16.387   5.494   1.205
  472    HB3  CYS  61           HB1      CYS  61 -16.932   4.144   0.206
  473    H    SER  62           HN       SER  62 -19.833   3.666   3.428
  474    HA   SER  62           HA       SER  62 -20.535   1.298   1.756
  475    HB2  SER  62           HB2      SER  62 -22.160   0.786   3.524
  476    HB3  SER  62           HB1      SER  62 -20.552   0.997   4.212
  477    HG   SER  62           HG       SER  62 -22.696   2.229   4.944
  478    H    ILE  63           HN       ILE  63 -20.847   3.603   0.330
  479    HA   ILE  63           HA       ILE  63 -23.678   4.454   0.626
  480    HB   ILE  63           HB       ILE  63 -21.534   5.418  -1.290
  481   HG12  ILE  63          HG12      ILE  63 -21.381   5.818   1.327
  482   HG13  ILE  63          HG11      ILE  63 -21.036   7.127   0.201
  483   HG21  ILE  63          HG21      ILE  63 -23.596   5.934  -2.298
  484   HG22  ILE  63          HG22      ILE  63 -23.214   7.398  -1.392
  485   HG23  ILE  63          HG23      ILE  63 -24.380   6.242  -0.750
  486   HD11  ILE  63          HD11      ILE  63 -23.806   6.674   1.322
  487   HD12  ILE  63          HD12      ILE  63 -23.179   8.118   0.534
  488   HD13  ILE  63          HD13      ILE  63 -22.615   7.680   2.143
  489    H    VAL  64           HN       VAL  64 -21.497   3.045  -1.826
  490    HA   VAL  64           HA       VAL  64 -23.723   1.464  -2.895
  491    HB   VAL  64           HB       VAL  64 -23.990   3.668  -4.032
  492   HG11  VAL  64          HG11      VAL  64 -22.233   4.797  -4.895
  493   HG12  VAL  64          HG12      VAL  64 -21.617   3.362  -5.713
  494   HG13  VAL  64          HG13      VAL  64 -21.210   3.656  -4.023
  495   HG21  VAL  64          HG21      VAL  64 -24.389   2.737  -6.129
  496   HG22  VAL  64          HG22      VAL  64 -24.271   1.278  -5.147
  497   HG23  VAL  64          HG23      VAL  64 -22.894   1.804  -6.114
  498    H    GLN  65           HN       GLN  65 -22.810   0.232  -4.955
  499    HA   GLN  65           HA       GLN  65 -20.353  -1.064  -4.089
  500    HB2  GLN  65           HB2      GLN  65 -21.927  -1.379  -6.665
  501    HB3  GLN  65           HB1      GLN  65 -20.661  -2.466  -6.093
  502    HG2  GLN  65           HG2      GLN  65 -21.962  -3.204  -4.258
  503    HG3  GLN  65           HG1      GLN  65 -23.080  -1.847  -4.399
  504   HE21  GLN  65          HE21      GLN  65 -22.134  -4.934  -5.907
  505   HE22  GLN  65          HE22      GLN  65 -23.556  -5.115  -6.817
  506    H    GLY  66           HN       GLY  66 -21.108   1.601  -6.127
  507    HA2  GLY  66           HA2      GLY  66 -18.598   1.394  -7.666
  508    HA3  GLY  66           HA1      GLY  66 -19.817   2.657  -7.840
  509    H    CYS  67           HN       CYS  67 -19.223   2.183  -4.589
  510    HA   CYS  67           HA       CYS  67 -18.233   4.719  -4.017
  511    HB2  CYS  67           HB2      CYS  67 -18.066   2.081  -2.634
  512    HB3  CYS  67           HB1      CYS  67 -17.042   3.387  -2.033
  513    H    LYS  68           HN       LYS  68 -16.044   5.426  -3.400
  514    HA   LYS  68           HA       LYS  68 -14.116   4.620  -5.424
  515    HB2  LYS  68           HB2      LYS  68 -14.333   6.744  -3.375
  516    HB3  LYS  68           HB1      LYS  68 -12.692   6.218  -3.742
  517    HG2  LYS  68           HG2      LYS  68 -13.091   6.596  -6.142
  518    HG3  LYS  68           HG1      LYS  68 -14.743   7.106  -5.793
  519    HD2  LYS  68           HD2      LYS  68 -14.087   9.142  -4.977
  520    HD3  LYS  68           HD1      LYS  68 -12.603   8.498  -4.277
  521    HE2  LYS  68           HE2      LYS  68 -12.427  10.075  -6.352
  522    HE3  LYS  68           HE1      LYS  68 -11.439   8.615  -6.311
  523    HZ1  LYS  68           HZ1      LYS  68 -12.966   7.493  -7.705
  524    HZ2  LYS  68           HZ2      LYS  68 -12.672   9.001  -8.428
  525    HZ3  LYS  68           HZ3      LYS  68 -14.117   8.732  -7.576
  526    H    ARG  69           HN       ARG  69 -13.623   4.898  -1.884
  527    HA   ARG  69           HA       ARG  69 -12.763   2.176  -1.543
  528    HB2  ARG  69           HB2      ARG  69 -10.342   2.583  -1.357
  529    HB3  ARG  69           HB1      ARG  69 -10.902   2.971  -2.976
  530    HG2  ARG  69           HG2      ARG  69 -11.235   5.342  -1.504
  531    HG3  ARG  69           HG1      ARG  69  -9.661   4.710  -1.020
  532    HD2  ARG  69           HD2      ARG  69  -8.988   4.537  -3.374
  533    HD3  ARG  69           HD1      ARG  69 -10.576   5.106  -3.885
  534    HE   ARG  69           HE       ARG  69  -9.513   7.056  -2.129
  535   HH11  ARG  69          HH21      ARG  69  -8.878   5.579  -5.180
  536   HH12  ARG  69          HH22      ARG  69  -8.107   6.979  -5.847
  537   HH21  ARG  69          HH11      ARG  69  -8.509   8.892  -2.983
  538   HH22  ARG  69          HH12      ARG  69  -7.898   8.855  -4.603
  539    H    THR  70           HN       THR  70 -10.618   2.908   0.345
  540    HA   THR  70           HA       THR  70 -12.322   3.773   2.598
  541    HB   THR  70           HB       THR  70  -9.710   3.347   3.519
  542    HG1  THR  70           HG1      THR  70  -9.650   1.085   2.447
  543   HG21  THR  70          HG21      THR  70 -11.642   2.568   4.708
  544   HG22  THR  70          HG22      THR  70 -10.682   1.145   4.299
  545   HG23  THR  70          HG23      THR  70 -12.124   1.536   3.363
  546    H    TYR  71           HN       TYR  71 -10.683   5.122   4.255
  547    HA   TYR  71           HA       TYR  71  -9.200   7.175   2.779
  548    HB2  TYR  71           HB2      TYR  71 -11.645   7.847   4.431
  549    HB3  TYR  71           HB1      TYR  71 -10.517   9.026   3.768
  550    HD1  TYR  71           HD1      TYR  71 -13.098   6.519   2.936
  551    HD2  TYR  71           HD2      TYR  71 -10.453   9.529   1.395
  552    HE1  TYR  71           HE1      TYR  71 -14.305   6.473   0.771
  553    HE2  TYR  71           HE2      TYR  71 -11.661   9.485  -0.770
  554    HH   TYR  71           HH       TYR  71 -14.629   7.645  -1.177
  555    H    LEU  72           HN       LEU  72  -8.492   8.895   4.570
  556    HA   LEU  72           HA       LEU  72  -7.541   7.286   6.892
  557    HB2  LEU  72           HB2      LEU  72  -6.183   9.831   6.435
  558    HB3  LEU  72           HB1      LEU  72  -5.503   8.215   6.609
  559    HG   LEU  72           HG       LEU  72  -6.742   9.354   4.082
  560   HD11  LEU  72          HD11      LEU  72  -3.893   8.464   4.368
  561   HD12  LEU  72          HD12      LEU  72  -4.355  10.055   4.973
  562   HD13  LEU  72          HD13      LEU  72  -4.586   9.657   3.270
  563   HD21  LEU  72          HD21      LEU  72  -6.275   6.637   4.949
  564   HD22  LEU  72          HD22      LEU  72  -5.207   7.014   3.599
  565   HD23  LEU  72          HD23      LEU  72  -6.949   7.203   3.421
  566    H    SER  73           HN       SER  73  -9.653   9.802   6.046
  567    HA   SER  73           HA       SER  73 -10.024  10.427   8.908
  568    HB2  SER  73           HB2      SER  73  -8.324  12.066   8.212
  569    HB3  SER  73           HB1      SER  73  -9.351  12.574   6.873
  570    HG   SER  73           HG       SER  73  -9.869  13.972   8.436
  571    H    GLN  74           HN       GLN  74 -12.167  10.718   9.316
  572    HA   GLN  74           HA       GLN  74 -14.193  10.215   7.472
  573    HB2  GLN  74           HB2      GLN  74 -14.235  10.645  10.098
  574    HB3  GLN  74           HB1      GLN  74 -14.730  12.261   9.591
  575    HG2  GLN  74           HG2      GLN  74 -16.795  11.200   9.721
  576    HG3  GLN  74           HG1      GLN  74 -16.389  10.922   8.027
  577   HE21  GLN  74          HE21      GLN  74 -15.274   8.761   7.557
  578   HE22  GLN  74          HE22      GLN  74 -15.689   7.425   8.517
  579    H    ARG  75           HN       ARG  75 -12.307  13.096   7.861
  580    HA   ARG  75           HA       ARG  75 -14.128  14.932   6.579
  581    HB2  ARG  75           HB2      ARG  75 -12.174  15.576   8.027
  582    HB3  ARG  75           HB1      ARG  75 -11.104  15.061   6.725
  583    HG2  ARG  75           HG2      ARG  75 -12.885  16.709   5.408
  584    HG3  ARG  75           HG1      ARG  75 -12.705  17.506   6.968
  585    HD2  ARG  75           HD2      ARG  75 -10.175  17.205   6.652
  586    HD3  ARG  75           HD1      ARG  75 -10.548  16.814   4.972
  587    HE   ARG  75           HE       ARG  75 -10.662  19.466   6.176
  588   HH11  ARG  75          HH21      ARG  75 -11.891  17.328   3.767
  589   HH12  ARG  75          HH22      ARG  75 -12.372  18.600   2.694
  590   HH21  ARG  75          HH11      ARG  75 -11.283  21.139   4.791
  591   HH22  ARG  75          HH12      ARG  75 -12.028  20.758   3.274
  592    H    ASP  76           HN       ASP  76 -11.667  12.697   5.427
  593    HA   ASP  76           HA       ASP  76 -11.790  13.755   2.693
  594    HB2  ASP  76           HB2      ASP  76 -10.413  11.356   3.929
  595    HB3  ASP  76           HB1      ASP  76 -10.345  11.719   2.204
  596    H    LEU  77           HN       LEU  77 -13.081  11.092   4.574
  597    HA   LEU  77           HA       LEU  77 -14.308   9.780   2.298
  598    HB2  LEU  77           HB2      LEU  77 -13.860   8.378   4.168
  599    HB3  LEU  77           HB1      LEU  77 -14.575   9.521   5.294
  600    HG   LEU  77           HG       LEU  77 -16.406   8.567   3.172
  601   HD11  LEU  77          HD11      LEU  77 -15.153   6.719   5.192
  602   HD12  LEU  77          HD12      LEU  77 -15.378   6.462   3.464
  603   HD13  LEU  77          HD13      LEU  77 -16.766   6.426   4.550
  604   HD21  LEU  77          HD21      LEU  77 -16.859   9.993   5.313
  605   HD22  LEU  77          HD22      LEU  77 -16.761   8.456   6.168
  606   HD23  LEU  77          HD23      LEU  77 -17.987   8.698   4.925
  607    H    GLN  78           HN       GLN  78 -15.173  12.190   4.714
  608    HA   GLN  78           HA       GLN  78 -17.961  12.228   3.980
  609    HB2  GLN  78           HB2      GLN  78 -17.158  13.168   6.147
  610    HB3  GLN  78           HB1      GLN  78 -16.334  14.445   5.250
  611    HG2  GLN  78           HG2      GLN  78 -18.477  15.295   6.018
  612    HG3  GLN  78           HG1      GLN  78 -18.555  15.096   4.269
  613   HE21  GLN  78          HE21      GLN  78 -19.819  13.235   3.426
  614   HE22  GLN  78          HE22      GLN  78 -20.958  12.455   4.414
  615    H    ALA  79           HN       ALA  79 -15.028  13.738   2.959
  616    HA   ALA  79           HA       ALA  79 -16.293  15.607   1.125
  617    HB1  ALA  79           HB1      ALA  79 -13.450  14.538   1.129
  618    HB2  ALA  79           HB2      ALA  79 -13.989  15.935   2.061
  619    HB3  ALA  79           HB3      ALA  79 -14.023  15.985   0.299
  620    H    HIS  80           HN       HIS  80 -15.536  12.228   1.139
  621    HA   HIS  80           HA       HIS  80 -15.354  12.008  -1.769
  622    HB2  HIS  80           HB2      HIS  80 -14.325  10.209  -0.660
  623    HB3  HIS  80           HB1      HIS  80 -15.679  10.005   0.446
  624    HD1  HIS  80           HD1      HIS  80 -15.166   9.840  -3.343
  625    HD2  HIS  80           HD2      HIS  80 -17.295   7.963  -0.310
  626    HE1  HIS  80           HE1      HIS  80 -16.466   7.961  -4.441
  627    H    ILE  81           HN       ILE  81 -17.876  11.454   0.648
  628    HA   ILE  81           HA       ILE  81 -19.965  10.612  -1.072
  629    HB   ILE  81           HB       ILE  81 -20.603  12.547   1.089
  630   HG12  ILE  81          HG12      ILE  81 -18.810  11.419   2.128
  631   HG13  ILE  81          HG11      ILE  81 -20.280  10.727   2.790
  632   HG21  ILE  81          HG21      ILE  81 -22.398  11.391  -0.079
  633   HG22  ILE  81          HG22      ILE  81 -22.327  10.834   1.594
  634   HG23  ILE  81          HG23      ILE  81 -21.670   9.832   0.303
  635   HD11  ILE  81          HD11      ILE  81 -19.854   9.087   0.660
  636   HD12  ILE  81          HD12      ILE  81 -19.263   8.752   2.286
  637   HD13  ILE  81          HD13      ILE  81 -18.199   9.500   1.100
  638    H    ASN  82           HN       ASN  82 -19.195  13.877   0.073
  639    HA   ASN  82           HA       ASN  82 -21.164  15.134  -1.597
  640    HB2  ASN  82           HB2      ASN  82 -18.709  16.558  -0.603
  641    HB3  ASN  82           HB1      ASN  82 -20.360  17.163  -0.750
  642   HD21  ASN  82          HD21      ASN  82 -18.311  16.639   1.637
  643   HD22  ASN  82          HD22      ASN  82 -19.313  15.937   2.813
  644    H    HIS  83           HN       HIS  83 -17.952  13.973  -2.216
  645    HA   HIS  83           HA       HIS  83 -17.646  15.774  -4.500
  646    HB2  HIS  83           HB2      HIS  83 -15.932  13.596  -3.349
  647    HB3  HIS  83           HB1      HIS  83 -15.559  14.334  -4.901
  648    HD1  HIS  83           HD1      HIS  83 -13.388  15.380  -3.787
  649    HD2  HIS  83           HD2      HIS  83 -17.001  16.754  -2.221
  650    HE1  HIS  83           HE1      HIS  83 -12.843  17.460  -2.445
  651    HE2  HIS  83           HE2      HIS  83 -15.035  18.304  -1.488
  652    H    ARG  84           HN       ARG  84 -18.773  12.470  -3.981
  653    HA   ARG  84           HA       ARG  84 -19.040  12.248  -6.947
  654    HB2  ARG  84           HB2      ARG  84 -18.582   9.826  -5.248
  655    HB3  ARG  84           HB1      ARG  84 -18.283  10.038  -6.967
  656    HG2  ARG  84           HG2      ARG  84 -16.721  11.473  -4.783
  657    HG3  ARG  84           HG1      ARG  84 -16.189   9.997  -5.572
  658    HD2  ARG  84           HD2      ARG  84 -16.882  11.734  -7.678
  659    HD3  ARG  84           HD1      ARG  84 -16.000  12.724  -6.521
  660    HE   ARG  84           HE       ARG  84 -14.469  10.421  -6.748
  661   HH11  ARG  84          HH21      ARG  84 -15.807  12.786  -8.872
  662   HH12  ARG  84          HH22      ARG  84 -14.524  12.664 -10.030
  663   HH21  ARG  84          HH11      ARG  84 -12.785  10.254  -8.247
  664   HH22  ARG  84          HH12      ARG  84 -12.815  11.231  -9.677
  665    H    HIS  85           HN       HIS  85 -20.469  11.371  -3.846
  666    HA   HIS  85           HA       HIS  85 -22.784  10.196  -5.260
  667    HB2  HIS  85           HB2      HIS  85 -22.405  10.516  -2.277
  668    HB3  HIS  85           HB1      HIS  85 -23.494   9.409  -3.113
  669    HD1  HIS  85           HD1      HIS  85 -22.614   7.094  -3.299
  670    HD2  HIS  85           HD2      HIS  85 -19.518   9.885  -3.135
  671    HE1  HIS  85           HE1      HIS  85 -20.457   5.771  -3.343
  672    H    MET  86           HN       MET  86 -22.120  12.689  -2.856
  673    HA   MET  86           HA       MET  86 -23.436  14.520  -2.158
  674    HB2  MET  86           HB2      MET  86 -22.394  14.845  -4.640
  675    HB3  MET  86           HB1      MET  86 -24.107  15.071  -4.990
  676    HG2  MET  86           HG2      MET  86 -22.534  16.554  -2.859
  677    HG3  MET  86           HG1      MET  86 -23.031  17.219  -4.414
  678    HE1  MET  86           HE1      MET  86 -24.262  19.276  -2.884
  679    HE2  MET  86           HE2      MET  86 -23.433  18.354  -1.633
  680    HE3  MET  86           HE3      MET  86 -25.122  18.805  -1.411
  681    H    ARG  87           HN       ARG  87 -24.922  12.029  -2.303
  682    HA   ARG  87           HA       ARG  87 -27.598  13.074  -2.164
  683    HB2  ARG  87           HB2      ARG  87 -27.796  13.088  -4.490
  684    HB3  ARG  87           HB1      ARG  87 -26.737  11.693  -4.689
  685    HG2  ARG  87           HG2      ARG  87 -28.417  10.168  -4.052
  686    HG3  ARG  87           HG1      ARG  87 -29.386  11.423  -3.276
  687    HD2  ARG  87           HD2      ARG  87 -30.352  12.070  -5.238
  688    HD3  ARG  87           HD1      ARG  87 -28.866  11.840  -6.160
  689    HE   ARG  87           HE       ARG  87 -29.599   9.660  -6.677
  690   HH11  ARG  87          HH21      ARG  87 -31.270  10.980  -3.966
  691   HH12  ARG  87          HH22      ARG  87 -32.387   9.662  -3.844
  692   HH21  ARG  87          HH11      ARG  87 -31.050   7.931  -6.534
  693   HH22  ARG  87          HH12      ARG  87 -32.263   7.937  -5.298
  694    H    ALA  88           HN       ALA  88 -28.233  11.879  -0.433
  695    HA   ALA  88           HA       ALA  88 -27.154   9.451   0.447
  696    HB1  ALA  88           HB1      ALA  88 -30.070  10.220   0.746
  697    HB2  ALA  88           HB2      ALA  88 -28.775  10.934   1.706
  698    HB3  ALA  88           HB3      ALA  88 -29.115   9.208   1.830
  699    H    GLY  89           HN       GLY  89 -27.953   7.244   0.283
  700    HA2  GLY  89           HA2      GLY  89 -30.023   6.199  -1.189
  701    HA3  GLY  89           HA1      GLY  89 -28.829   6.586  -2.427
  Start of MODEL    7
    1    H1   VAL   1           HT1      VAL   1 -18.393  -7.148   6.378
    2    H2   VAL   1           HT2      VAL   1 -17.090  -6.946   7.450
    3    H3   VAL   1           HT3      VAL   1 -16.882  -7.828   6.013
    4    HA   VAL   1           HA       VAL   1 -17.478  -5.720   4.795
    5    HB   VAL   1           HB       VAL   1 -16.827  -4.628   7.536
    6   HG11  VAL   1          HG11      VAL   1 -17.709  -2.525   6.013
    7   HG12  VAL   1          HG12      VAL   1 -16.820  -3.470   4.819
    8   HG13  VAL   1          HG13      VAL   1 -16.009  -2.909   6.282
    9   HG21  VAL   1          HG21      VAL   1 -19.084  -5.155   7.708
   10   HG22  VAL   1          HG22      VAL   1 -19.363  -4.974   5.976
   11   HG23  VAL   1          HG23      VAL   1 -19.196  -3.545   6.996
   12    H    HIS   2           HN       HIS   2 -15.382  -7.632   6.097
   13    HA   HIS   2           HA       HIS   2 -12.986  -6.114   5.171
   14    HB2  HIS   2           HB2      HIS   2 -12.087  -8.186   6.830
   15    HB3  HIS   2           HB1      HIS   2 -12.167  -6.476   7.249
   16    HD1  HIS   2           HD1      HIS   2 -13.194  -6.350   9.521
   17    HD2  HIS   2           HD2      HIS   2 -15.155  -9.121   7.093
   18    HE1  HIS   2           HE1      HIS   2 -15.173  -7.203  10.857
   19    HE2  HIS   2           HE2      HIS   2 -16.371  -8.891   9.389
   20    H    PHE   3           HN       PHE   3 -14.936  -7.971   3.774
   21    HA   PHE   3           HA       PHE   3 -13.439 -10.417   3.268
   22    HB2  PHE   3           HB2      PHE   3 -15.719  -9.169   1.700
   23    HB3  PHE   3           HB1      PHE   3 -15.119 -10.817   1.512
   24    HD1  PHE   3           HD2      PHE   3 -15.084 -12.295   3.667
   25    HD2  PHE   3           HD1      PHE   3 -17.440  -8.730   3.231
   26    HE1  PHE   3           HE2      PHE   3 -16.568 -13.053   5.502
   27    HE2  PHE   3           HE1      PHE   3 -18.926  -9.488   5.067
   28    HZ   PHE   3           HZ       PHE   3 -18.489 -11.649   6.203
   29    H    CYS   4           HN       CYS   4 -11.523 -10.305   2.164
   30    HA   CYS   4           HA       CYS   4 -10.509  -8.200   0.679
   31    HB2  CYS   4           HB2      CYS   4  -9.401 -10.410   1.287
   32    HB3  CYS   4           HB1      CYS   4 -10.142 -11.069  -0.167
   33    H    ASP   5           HN       ASP   5 -10.584  -7.551  -1.485
   34    HA   ASP   5           HA       ASP   5 -13.058  -8.221  -2.894
   35    HB2  ASP   5           HB2      ASP   5 -12.639  -5.975  -3.192
   36    HB3  ASP   5           HB1      ASP   5 -10.889  -6.193  -3.162
   37    H    LYS   6           HN       LYS   6  -9.658  -9.072  -3.090
   38    HA   LYS   6           HA       LYS   6 -10.087 -10.309  -5.752
   39    HB2  LYS   6           HB2      LYS   6  -7.849  -9.119  -4.470
   40    HB3  LYS   6           HB1      LYS   6  -7.467 -10.821  -4.721
   41    HG2  LYS   6           HG2      LYS   6  -8.515  -8.948  -6.863
   42    HG3  LYS   6           HG1      LYS   6  -6.828  -9.409  -6.667
   43    HD2  LYS   6           HD2      LYS   6  -7.152 -11.361  -7.743
   44    HD3  LYS   6           HD1      LYS   6  -8.544 -11.758  -6.738
   45    HE2  LYS   6           HE2      LYS   6 -10.019 -10.463  -8.142
   46    HE3  LYS   6           HE1      LYS   6  -8.658  -9.794  -9.042
   47    HZ1  LYS   6           HZ1      LYS   6 -10.076 -12.078  -9.635
   48    HZ2  LYS   6           HZ2      LYS   6  -8.577 -12.626  -9.052
   49    HZ3  LYS   6           HZ3      LYS   6  -8.639 -11.550 -10.365
   50    H    CYS   7           HN       CYS   7  -9.128 -11.226  -2.450
   51    HA   CYS   7           HA       CYS   7  -9.162 -14.064  -3.228
   52    HB2  CYS   7           HB2      CYS   7  -8.673 -12.845  -0.503
   53    HB3  CYS   7           HB1      CYS   7  -8.309 -14.498  -1.003
   54    H    GLY   8           HN       GLY   8 -11.178 -11.785  -1.469
   55    HA2  GLY   8           HA2      GLY   8 -13.471 -12.053  -0.937
   56    HA3  GLY   8           HA1      GLY   8 -13.386 -13.703  -1.555
   57    H    LEU   9           HN       LEU   9 -10.826 -13.361   0.516
   58    HA   LEU   9           HA       LEU   9 -12.250 -14.839   2.637
   59    HB2  LEU   9           HB2      LEU   9  -9.449 -14.456   1.775
   60    HB3  LEU   9           HB1      LEU   9  -9.667 -14.526   3.523
   61    HG   LEU   9           HG       LEU   9 -10.819 -16.668   3.337
   62   HD11  LEU   9          HD11      LEU   9 -10.858 -15.905   0.473
   63   HD12  LEU   9          HD12      LEU   9 -12.025 -16.841   1.405
   64   HD13  LEU   9          HD13      LEU   9 -10.555 -17.610   0.805
   65   HD21  LEU   9          HD21      LEU   9  -8.799 -17.665   3.320
   66   HD22  LEU   9          HD22      LEU   9  -8.110 -16.197   2.627
   67   HD23  LEU   9          HD23      LEU   9  -8.699 -17.480   1.569
   68    HA   PRO  10           HA       PRO  10 -12.705 -11.345   5.278
   69    HB2  PRO  10           HB2      PRO  10 -12.146 -12.359   7.755
   70    HB3  PRO  10           HB1      PRO  10 -13.670 -12.615   6.885
   71    HG2  PRO  10           HG2      PRO  10 -11.361 -14.445   7.230
   72    HG3  PRO  10           HG1      PRO  10 -13.089 -14.812   7.127
   73    HD2  PRO  10           HD2      PRO  10 -11.321 -15.172   5.043
   74    HD3  PRO  10           HD1      PRO  10 -13.064 -14.910   4.827
   75    H    ILE  11           HN       ILE  11 -11.082  -9.997   4.700
   76    HA   ILE  11           HA       ILE  11  -8.355 -10.048   5.005
   77    HB   ILE  11           HB       ILE  11 -10.274  -7.728   5.428
   78   HG12  ILE  11          HG12      ILE  11  -8.598  -8.493   3.028
   79   HG13  ILE  11          HG11      ILE  11 -10.255  -9.039   3.245
   80   HG21  ILE  11          HG21      ILE  11  -7.406  -7.432   4.564
   81   HG22  ILE  11          HG22      ILE  11  -7.818  -7.376   6.274
   82   HG23  ILE  11          HG23      ILE  11  -8.504  -6.201   5.161
   83   HD11  ILE  11          HD11      ILE  11  -9.449  -6.631   2.091
   84   HD12  ILE  11          HD12      ILE  11 -10.003  -6.175   3.700
   85   HD13  ILE  11          HD13      ILE  11 -11.083  -7.039   2.609
   86    H    LYS  12           HN       LYS  12  -7.198 -10.660   6.739
   87    HA   LYS  12           HA       LYS  12  -8.171 -10.192   9.477
   88    HB2  LYS  12           HB2      LYS  12  -6.920 -12.283   8.779
   89    HB3  LYS  12           HB1      LYS  12  -5.482 -11.279   8.585
   90    HG2  LYS  12           HG2      LYS  12  -5.779 -10.535  10.978
   91    HG3  LYS  12           HG1      LYS  12  -7.054 -11.745  11.133
   92    HD2  LYS  12           HD2      LYS  12  -5.432 -13.225  11.656
   93    HD3  LYS  12           HD1      LYS  12  -4.932 -13.136   9.967
   94    HE2  LYS  12           HE2      LYS  12  -3.022 -12.672  11.442
   95    HE3  LYS  12           HE1      LYS  12  -3.446 -11.231  10.517
   96    HZ1  LYS  12           HZ1      LYS  12  -4.975 -11.218  12.844
   97    HZ2  LYS  12           HZ2      LYS  12  -3.721 -10.157  12.414
   98    HZ3  LYS  12           HZ3      LYS  12  -3.381 -11.563  13.306
   99    H    VAL  13           HN       VAL  13  -5.819  -8.931   7.212
  100    HA   VAL  13           HA       VAL  13  -5.321  -6.639   9.043
  101    HB   VAL  13           HB       VAL  13  -3.159  -7.577   7.216
  102   HG11  VAL  13          HG11      VAL  13  -1.735  -6.570   8.925
  103   HG12  VAL  13          HG12      VAL  13  -3.125  -6.361   9.992
  104   HG13  VAL  13          HG13      VAL  13  -3.017  -5.438   8.492
  105   HG21  VAL  13          HG21      VAL  13  -3.954  -8.867   9.824
  106   HG22  VAL  13          HG22      VAL  13  -2.287  -8.913   9.252
  107   HG23  VAL  13          HG23      VAL  13  -3.570  -9.649   8.292
  108    H    TYR  14           HN       TYR  14  -5.139  -4.640   7.879
  109    HA   TYR  14           HA       TYR  14  -6.370  -4.770   5.215
  110    HB2  TYR  14           HB2      TYR  14  -5.763  -2.609   7.183
  111    HB3  TYR  14           HB1      TYR  14  -6.079  -2.186   5.505
  112    HD1  TYR  14           HD1      TYR  14  -7.689  -5.151   7.084
  113    HD2  TYR  14           HD2      TYR  14  -8.131  -1.012   6.014
  114    HE1  TYR  14           HE1      TYR  14 -10.122  -5.303   7.481
  115    HE2  TYR  14           HE2      TYR  14 -10.570  -1.170   6.413
  116    HH   TYR  14           HH       TYR  14 -12.006  -3.974   7.897
  117    H    GLY  15           HN       GLY  15  -4.959  -5.300   3.639
  118    HA2  GLY  15           HA2      GLY  15  -2.225  -4.276   3.585
  119    HA3  GLY  15           HA1      GLY  15  -2.999  -5.231   2.313
  120    H    ARG  16           HN       ARG  16  -2.513  -2.042   3.581
  121    HA   ARG  16           HA       ARG  16  -4.317  -0.700   1.730
  122    HB2  ARG  16           HB2      ARG  16  -3.497   0.204   3.962
  123    HB3  ARG  16           HB1      ARG  16  -1.952   0.520   3.172
  124    HG2  ARG  16           HG2      ARG  16  -2.832   2.496   2.537
  125    HG3  ARG  16           HG1      ARG  16  -3.814   1.570   1.400
  126    HD2  ARG  16           HD2      ARG  16  -5.517   1.266   3.231
  127    HD3  ARG  16           HD1      ARG  16  -4.567   2.366   4.224
  128    HE   ARG  16           HE       ARG  16  -5.241   4.173   2.821
  129   HH11  ARG  16          HH21      ARG  16  -6.244   1.092   1.623
  130   HH12  ARG  16          HH22      ARG  16  -7.425   1.756   0.547
  131   HH21  ARG  16          HH11      ARG  16  -6.776   5.044   1.431
  132   HH22  ARG  16          HH12      ARG  16  -7.731   3.992   0.443
  133    H    MET  17           HN       MET  17  -3.898   0.074  -0.281
  134    HA   MET  17           HA       MET  17  -1.093  -0.119  -1.293
  135    HB2  MET  17           HB2      MET  17  -3.436  -0.499  -3.118
  136    HB3  MET  17           HB1      MET  17  -1.797  -1.131  -3.259
  137    HG2  MET  17           HG2      MET  17  -2.328  -2.510  -1.154
  138    HG3  MET  17           HG1      MET  17  -4.010  -2.076  -1.436
  139    HE1  MET  17           HE1      MET  17  -1.166  -4.703  -3.673
  140    HE2  MET  17           HE2      MET  17  -0.830  -3.215  -2.803
  141    HE3  MET  17           HE3      MET  17  -1.255  -3.153  -4.510
  142    H    ILE  18           HN       ILE  18  -0.355   1.706  -2.255
  143    HA   ILE  18           HA       ILE  18  -2.322   3.855  -2.884
  144    HB   ILE  18           HB       ILE  18   0.023   5.195  -2.632
  145   HG12  ILE  18          HG12      ILE  18   0.164   2.955  -0.607
  146   HG13  ILE  18          HG11      ILE  18   1.195   3.106  -2.032
  147   HG21  ILE  18          HG21      ILE  18  -1.779   4.377  -0.325
  148   HG22  ILE  18          HG22      ILE  18  -2.122   5.687  -1.455
  149   HG23  ILE  18          HG23      ILE  18  -0.743   5.803  -0.365
  150   HD11  ILE  18          HD11      ILE  18   1.539   4.337   0.518
  151   HD12  ILE  18          HD12      ILE  18   1.213   5.610  -0.658
  152   HD13  ILE  18          HD13      ILE  18   2.558   4.498  -0.913
  153    HA   PRO  19           HA       PRO  19  -1.867   5.965  -3.758
  154    HB2  PRO  19           HB2      PRO  19  -2.743   7.216  -5.994
  155    HB3  PRO  19           HB1      PRO  19  -1.069   7.364  -5.426
  156    HG2  PRO  19           HG2      PRO  19  -2.176   5.734  -7.642
  157    HG3  PRO  19           HG1      PRO  19  -0.622   6.573  -7.520
  158    HD2  PRO  19           HD2      PRO  19  -0.994   3.836  -7.120
  159    HD3  PRO  19           HD1      PRO  19   0.402   4.771  -6.548
  160    H    CYS  20           HN       CYS  20  -2.918   3.272  -5.293
  161    HA   CYS  20           HA       CYS  20  -5.590   3.730  -6.065
  162    HB2  CYS  20           HB2      CYS  20  -3.919   1.501  -5.628
  163    HB3  CYS  20           HB1      CYS  20  -5.329   1.245  -4.603
  164    H    LYS  21           HN       LYS  21  -4.149   3.409  -2.879
  165    HA   LYS  21           HA       LYS  21  -5.028   3.731  -0.747
  166    HB2  LYS  21           HB2      LYS  21  -6.583   5.526  -2.514
  167    HB3  LYS  21           HB1      LYS  21  -7.419   5.082  -1.028
  168    HG2  LYS  21           HG2      LYS  21  -5.471   5.782   0.300
  169    HG3  LYS  21           HG1      LYS  21  -4.603   6.199  -1.178
  170    HD2  LYS  21           HD2      LYS  21  -6.918   7.609  -1.523
  171    HD3  LYS  21           HD1      LYS  21  -6.744   7.676   0.230
  172    HE2  LYS  21           HE2      LYS  21  -5.527   9.554  -0.539
  173    HE3  LYS  21           HE1      LYS  21  -4.287   8.336  -0.235
  174    HZ1  LYS  21           HZ1      LYS  21  -5.095   7.868  -2.802
  175    HZ2  LYS  21           HZ2      LYS  21  -3.668   8.660  -2.329
  176    HZ3  LYS  21           HZ3      LYS  21  -5.061   9.560  -2.696
  177    H    HIS  22           HN       HIS  22  -5.637   1.415  -2.389
  178    HA   HIS  22           HA       HIS  22  -8.398   0.727  -1.579
  179    HB2  HIS  22           HB2      HIS  22  -6.398  -0.481  -3.459
  180    HB3  HIS  22           HB1      HIS  22  -7.709  -1.477  -2.830
  181    HD2  HIS  22           HD2      HIS  22 -10.225   0.582  -3.033
  182    HE1  HIS  22           HE1      HIS  22  -9.052   1.167  -7.047
  183    HE2  HIS  22           HE2      HIS  22 -10.944   1.453  -5.383
  184    H    VAL  23           HN       VAL  23  -8.308  -1.925  -1.021
  185    HA   VAL  23           HA       VAL  23  -6.149  -2.370   0.942
  186    HB   VAL  23           HB       VAL  23  -8.248  -3.162   2.462
  187   HG11  VAL  23          HG11      VAL  23  -7.873  -1.035   3.705
  188   HG12  VAL  23          HG12      VAL  23  -6.972  -0.416   2.323
  189   HG13  VAL  23          HG13      VAL  23  -6.365  -1.808   3.218
  190   HG21  VAL  23          HG21      VAL  23 -10.054  -1.630   2.318
  191   HG22  VAL  23          HG22      VAL  23  -9.731  -2.070   0.641
  192   HG23  VAL  23          HG23      VAL  23  -9.147  -0.531   1.278
  193    H    PHE  24           HN       PHE  24  -5.851  -4.564   1.490
  194    HA   PHE  24           HA       PHE  24  -7.708  -6.615   0.492
  195    HB2  PHE  24           HB2      PHE  24  -4.882  -6.570  -0.602
  196    HB3  PHE  24           HB1      PHE  24  -6.167  -7.701  -1.016
  197    HD1  PHE  24           HD2      PHE  24  -5.026  -4.191  -1.314
  198    HD2  PHE  24           HD1      PHE  24  -7.850  -7.146  -2.624
  199    HE1  PHE  24           HE2      PHE  24  -5.729  -2.697  -3.159
  200    HE2  PHE  24           HE1      PHE  24  -8.553  -5.656  -4.471
  201    HZ   PHE  24           HZ       PHE  24  -7.489  -3.436  -4.752
  202    H    CYS  25           HN       CYS  25  -6.673  -8.884   1.030
  203    HA   CYS  25           HA       CYS  25  -5.771  -8.796   3.749
  204    HB2  CYS  25           HB2      CYS  25  -4.802 -11.202   2.538
  205    HB3  CYS  25           HB1      CYS  25  -6.179 -11.007   3.617
  206    H    TYR  26           HN       TYR  26  -3.903  -7.920   4.371
  207    HA   TYR  26           HA       TYR  26  -1.787  -7.107   2.779
  208    HB2  TYR  26           HB2      TYR  26  -2.051  -6.514   5.170
  209    HB3  TYR  26           HB1      TYR  26  -1.555  -8.144   5.613
  210    HD1  TYR  26           HD1      TYR  26  -0.285  -5.452   3.263
  211    HD2  TYR  26           HD2      TYR  26   0.633  -8.299   6.353
  212    HE1  TYR  26           HE1      TYR  26   2.090  -4.772   3.192
  213    HE2  TYR  26           HE2      TYR  26   3.010  -7.616   6.272
  214    HH   TYR  26           HH       TYR  26   4.254  -5.384   5.535
  215    H    ASP  27           HN       ASP  27  -2.642 -10.336   3.372
  216    HA   ASP  27           HA       ASP  27   0.053 -11.424   3.053
  217    HB2  ASP  27           HB2      ASP  27  -2.696 -12.518   3.357
  218    HB3  ASP  27           HB1      ASP  27  -1.551 -13.525   2.471
  219    H    CYS  28           HN       CYS  28  -2.792 -10.923   1.009
  220    HA   CYS  28           HA       CYS  28  -1.427 -12.009  -1.331
  221    HB2  CYS  28           HB2      CYS  28  -3.792 -10.267  -1.712
  222    HB3  CYS  28           HB1      CYS  28  -3.446 -11.857  -2.393
  223    H    ALA  29           HN       ALA  29  -1.720  -8.969   0.268
  224    HA   ALA  29           HA       ALA  29  -1.092  -7.324  -2.006
  225    HB1  ALA  29           HB1      ALA  29  -1.160  -5.548  -0.497
  226    HB2  ALA  29           HB2      ALA  29  -0.371  -6.473   0.781
  227    HB3  ALA  29           HB3      ALA  29  -2.076  -6.745   0.421
  228    H    ILE  30           HN       ILE  30   0.786  -9.194   0.297
  229    HA   ILE  30           HA       ILE  30   3.290  -7.979  -0.660
  230    HB   ILE  30           HB       ILE  30   4.354  -9.497   0.950
  231   HG12  ILE  30          HG12      ILE  30   1.545 -10.390   1.612
  232   HG13  ILE  30          HG11      ILE  30   2.667 -11.374   0.675
  233   HG21  ILE  30          HG21      ILE  30   3.883  -7.823   2.353
  234   HG22  ILE  30          HG22      ILE  30   2.372  -8.634   2.766
  235   HG23  ILE  30          HG23      ILE  30   2.413  -7.459   1.451
  236   HD11  ILE  30          HD11      ILE  30   2.727 -12.024   3.046
  237   HD12  ILE  30          HD12      ILE  30   3.119 -10.365   3.498
  238   HD13  ILE  30          HD13      ILE  30   4.269 -11.319   2.560
  239    H    LEU  31           HN       LEU  31   1.310 -10.810  -1.135
  240    HA   LEU  31           HA       LEU  31   3.353 -12.370  -2.469
  241    HB2  LEU  31           HB2      LEU  31   0.338 -12.459  -2.660
  242    HB3  LEU  31           HB1      LEU  31   1.375 -13.565  -3.544
  243    HG   LEU  31           HG       LEU  31   1.721 -13.241  -0.570
  244   HD11  LEU  31          HD11      LEU  31  -0.458 -13.909  -0.364
  245   HD12  LEU  31          HD12      LEU  31   0.217 -15.493  -0.741
  246   HD13  LEU  31          HD13      LEU  31  -0.531 -14.529  -2.013
  247   HD21  LEU  31          HD21      LEU  31   3.035 -15.098  -0.762
  248   HD22  LEU  31          HD22      LEU  31   3.102 -14.673  -2.470
  249   HD23  LEU  31          HD23      LEU  31   1.939 -15.870  -1.904
  250    H    HIS  32           HN       HIS  32   1.046  -9.898  -3.525
  251    HA   HIS  32           HA       HIS  32   1.763 -10.238  -6.336
  252    HB2  HIS  32           HB2      HIS  32   0.037  -8.826  -6.703
  253    HB3  HIS  32           HB1      HIS  32  -0.255  -8.864  -4.961
  254    HD1  HIS  32           HD1      HIS  32   1.811  -6.923  -7.514
  255    HD2  HIS  32           HD2      HIS  32   0.266  -6.490  -3.677
  256    HE1  HIS  32           HE1      HIS  32   2.314  -4.539  -6.807
  257    HE2  HIS  32           HE2      HIS  32   1.365  -4.259  -4.471
  258    H    GLU  33           HN       GLU  33   2.597  -7.972  -3.716
  259    HA   GLU  33           HA       GLU  33   4.292  -6.266  -5.179
  260    HB2  GLU  33           HB2      GLU  33   4.774  -5.395  -3.147
  261    HB3  GLU  33           HB1      GLU  33   3.668  -6.594  -2.495
  262    HG2  GLU  33           HG2      GLU  33   5.618  -8.182  -2.289
  263    HG3  GLU  33           HG1      GLU  33   6.680  -6.853  -2.766
  264    H    LYS  34           HN       LYS  34   4.817  -9.529  -3.990
  265    HA   LYS  34           HA       LYS  34   7.651  -9.506  -4.749
  266    HB2  LYS  34           HB2      LYS  34   5.751 -11.551  -3.634
  267    HB3  LYS  34           HB1      LYS  34   7.292 -12.066  -4.319
  268    HG2  LYS  34           HG2      LYS  34   8.531 -11.049  -2.661
  269    HG3  LYS  34           HG1      LYS  34   7.330  -9.785  -2.394
  270    HD2  LYS  34           HD2      LYS  34   5.853 -11.375  -1.270
  271    HD3  LYS  34           HD1      LYS  34   6.980 -12.690  -1.602
  272    HE2  LYS  34           HE2      LYS  34   8.335 -10.474  -0.309
  273    HE3  LYS  34           HE1      LYS  34   6.969 -11.028   0.658
  274    HZ1  LYS  34           HZ1      LYS  34   8.225 -12.716   1.300
  275    HZ2  LYS  34           HZ2      LYS  34   9.469 -12.281   0.226
  276    HZ3  LYS  34           HZ3      LYS  34   8.212 -13.302  -0.292
  277    H    LYS  35           HN       LYS  35   4.578 -10.497  -6.147
  278    HA   LYS  35           HA       LYS  35   5.874 -11.973  -8.305
  279    HB2  LYS  35           HB2      LYS  35   3.242 -11.807  -7.231
  280    HB3  LYS  35           HB1      LYS  35   3.155 -11.393  -8.942
  281    HG2  LYS  35           HG2      LYS  35   2.922 -13.805  -8.699
  282    HG3  LYS  35           HG1      LYS  35   4.474 -13.453  -9.461
  283    HD2  LYS  35           HD2      LYS  35   5.537 -14.533  -7.800
  284    HD3  LYS  35           HD1      LYS  35   4.856 -13.401  -6.630
  285    HE2  LYS  35           HE2      LYS  35   3.445 -15.876  -7.669
  286    HE3  LYS  35           HE1      LYS  35   4.249 -15.753  -6.104
  287    HZ1  LYS  35           HZ1      LYS  35   2.550 -13.560  -6.355
  288    HZ2  LYS  35           HZ2      LYS  35   2.409 -14.874  -5.287
  289    HZ3  LYS  35           HZ3      LYS  35   1.656 -14.928  -6.810
  290    H    GLY  36           HN       GLY  36   3.449  -9.403  -8.628
  291    HA2  GLY  36           HA2      GLY  36   4.649  -8.532 -11.141
  292    HA3  GLY  36           HA1      GLY  36   3.245  -7.805 -10.362
  293    H    ASP  37           HN       ASP  37   4.392  -7.189  -7.865
  294    HA   ASP  37           HA       ASP  37   5.848  -5.678  -6.786
  295    HB2  ASP  37           HB2      ASP  37   7.487  -6.708  -8.654
  296    HB3  ASP  37           HB1      ASP  37   7.372  -5.053  -9.254
  297    H    LYS  38           HN       LYS  38   3.611  -5.046  -9.037
  298    HA   LYS  38           HA       LYS  38   3.446  -2.274  -8.376
  299    HB2  LYS  38           HB2      LYS  38   3.847  -1.563 -10.842
  300    HB3  LYS  38           HB1      LYS  38   5.221  -1.800  -9.767
  301    HG2  LYS  38           HG2      LYS  38   5.830  -3.818 -10.751
  302    HG3  LYS  38           HG1      LYS  38   4.197  -4.137 -11.337
  303    HD2  LYS  38           HD2      LYS  38   5.615  -1.735 -12.411
  304    HD3  LYS  38           HD1      LYS  38   6.127  -3.321 -12.989
  305    HE2  LYS  38           HE2      LYS  38   4.051  -3.792 -13.946
  306    HE3  LYS  38           HE1      LYS  38   3.201  -2.651 -12.904
  307    HZ1  LYS  38           HZ1      LYS  38   4.541  -2.201 -15.416
  308    HZ2  LYS  38           HZ2      LYS  38   4.924  -1.058 -14.220
  309    HZ3  LYS  38           HZ3      LYS  38   3.305  -1.310 -14.670
  310    H    MET  39           HN       MET  39   1.558  -4.416  -8.432
  311    HA   MET  39           HA       MET  39  -0.409  -3.200 -10.267
  312    HB2  MET  39           HB2      MET  39  -1.013  -5.236 -11.364
  313    HB3  MET  39           HB1      MET  39   0.746  -5.137 -11.462
  314    HG2  MET  39           HG2      MET  39   0.692  -6.478  -9.217
  315    HG3  MET  39           HG1      MET  39  -0.949  -6.895  -9.709
  316    HE1  MET  39           HE1      MET  39  -0.693  -8.962 -12.802
  317    HE2  MET  39           HE2      MET  39  -1.303  -7.350 -12.437
  318    HE3  MET  39           HE3      MET  39  -1.568  -8.664 -11.294
  319    H    CYS  40           HN       CYS  40  -2.219  -2.861  -9.127
  320    HA   CYS  40           HA       CYS  40  -2.629  -3.856  -6.498
  321    HB2  CYS  40           HB2      CYS  40  -3.732  -1.859  -7.922
  322    HB3  CYS  40           HB1      CYS  40  -5.010  -3.061  -8.090
  323    HA   PRO  41           HA       PRO  41  -4.173  -7.976  -7.383
  324    HB2  PRO  41           HB2      PRO  41  -6.188  -7.592  -5.245
  325    HB3  PRO  41           HB1      PRO  41  -4.940  -8.841  -5.406
  326    HG2  PRO  41           HG2      PRO  41  -4.777  -6.832  -3.629
  327    HG3  PRO  41           HG1      PRO  41  -3.358  -7.582  -4.376
  328    HD2  PRO  41           HD2      PRO  41  -4.575  -4.920  -4.909
  329    HD3  PRO  41           HD1      PRO  41  -2.889  -5.463  -5.070
  330    H    GLY  42           HN       GLY  42  -6.572  -5.420  -6.771
  331    HA2  GLY  42           HA2      GLY  42  -8.464  -6.812  -8.617
  332    HA3  GLY  42           HA1      GLY  42  -8.917  -5.586  -7.445
  333    H    CYS  43           HN       CYS  43  -7.084  -3.546  -8.054
  334    HA   CYS  43           HA       CYS  43  -8.237  -2.657 -10.609
  335    HB2  CYS  43           HB2      CYS  43  -6.326  -0.963  -9.066
  336    HB3  CYS  43           HB1      CYS  43  -7.810  -0.504  -9.904
  337    H    SER  44           HN       SER  44  -5.348  -4.147  -9.616
  338    HA   SER  44           HA       SER  44  -3.248  -4.374 -10.673
  339    HB2  SER  44           HB2      SER  44  -5.107  -5.200 -12.383
  340    HB3  SER  44           HB1      SER  44  -4.585  -3.782 -13.288
  341    HG   SER  44           HG       SER  44  -2.915  -4.906 -13.856
  342    H    ASP  45           HN       ASP  45  -3.889  -1.740  -9.741
  343    HA   ASP  45           HA       ASP  45  -2.996   0.105 -11.853
  344    HB2  ASP  45           HB2      ASP  45  -4.352   0.311  -9.276
  345    HB3  ASP  45           HB1      ASP  45  -3.063   1.503  -9.440
  346    HA   PRO  46           HA       PRO  46   1.291   0.195 -10.869
  347    HB2  PRO  46           HB2      PRO  46   1.743   2.933 -10.498
  348    HB3  PRO  46           HB1      PRO  46   1.724   2.094 -12.057
  349    HG2  PRO  46           HG2      PRO  46  -0.398   3.707 -10.753
  350    HG3  PRO  46           HG1      PRO  46   0.025   3.561 -12.468
  351    HD2  PRO  46           HD2      PRO  46  -2.139   2.313 -11.425
  352    HD3  PRO  46           HD1      PRO  46  -1.186   1.593 -12.742
  353    H    VAL  47           HN       VAL  47   0.655  -0.847  -8.750
  354    HA   VAL  47           HA       VAL  47   0.160   0.456  -6.328
  355    HB   VAL  47           HB       VAL  47   2.099  -1.842  -6.614
  356   HG11  VAL  47          HG11      VAL  47   2.007  -1.044  -4.368
  357   HG12  VAL  47          HG12      VAL  47   0.997  -2.489  -4.438
  358   HG13  VAL  47          HG13      VAL  47   0.250  -0.893  -4.429
  359   HG21  VAL  47          HG21      VAL  47   0.063  -2.255  -7.941
  360   HG22  VAL  47          HG22      VAL  47  -0.926  -1.891  -6.530
  361   HG23  VAL  47          HG23      VAL  47   0.127  -3.306  -6.529
  362    H    GLN  48           HN       GLN  48   1.239   2.274  -5.655
  363    HA   GLN  48           HA       GLN  48   4.032   2.750  -6.249
  364    HB2  GLN  48           HB2      GLN  48   2.650   4.687  -5.949
  365    HB3  GLN  48           HB1      GLN  48   2.068   4.107  -4.388
  366    HG2  GLN  48           HG2      GLN  48   3.966   4.763  -3.287
  367    HG3  GLN  48           HG1      GLN  48   5.013   4.390  -4.659
  368   HE21  GLN  48          HE21      GLN  48   2.783   6.861  -3.364
  369   HE22  GLN  48          HE22      GLN  48   3.350   8.122  -4.349
  370    H    ARG  49           HN       ARG  49   2.361   2.310  -3.110
  371    HA   ARG  49           HA       ARG  49   4.526   0.495  -2.278
  372    HB2  ARG  49           HB2      ARG  49   5.701   2.041  -1.154
  373    HB3  ARG  49           HB1      ARG  49   4.518   3.279  -1.555
  374    HG2  ARG  49           HG2      ARG  49   3.160   2.652   0.396
  375    HG3  ARG  49           HG1      ARG  49   4.292   1.348   0.779
  376    HD2  ARG  49           HD2      ARG  49   5.638   3.915   0.434
  377    HD3  ARG  49           HD1      ARG  49   4.434   3.957   1.723
  378    HE   ARG  49           HE       ARG  49   5.807   1.621   2.229
  379   HH11  ARG  49          HH21      ARG  49   6.669   4.905   1.625
  380   HH12  ARG  49          HH22      ARG  49   8.100   4.847   2.599
  381   HH21  ARG  49          HH11      ARG  49   7.671   1.528   3.504
  382   HH22  ARG  49          HH12      ARG  49   8.668   2.936   3.662
  383    H    ILE  50           HN       ILE  50   3.743  -1.046  -0.885
  384    HA   ILE  50           HA       ILE  50   0.902  -0.799  -0.121
  385    HB   ILE  50           HB       ILE  50   2.607  -3.180   0.500
  386   HG12  ILE  50          HG12      ILE  50   1.480  -2.372  -2.180
  387   HG13  ILE  50          HG11      ILE  50   3.156  -2.737  -1.788
  388   HG21  ILE  50          HG21      ILE  50   0.590  -4.343   0.507
  389   HG22  ILE  50          HG22      ILE  50  -0.194  -3.179  -0.557
  390   HG23  ILE  50          HG23      ILE  50   0.098  -2.771   1.132
  391   HD11  ILE  50          HD11      ILE  50   2.323  -5.074  -1.115
  392   HD12  ILE  50          HD12      ILE  50   2.333  -4.708  -2.840
  393   HD13  ILE  50          HD13      ILE  50   0.820  -4.649  -1.937
  394    H    GLU  51           HN       GLU  51   0.206  -0.862   1.976
  395    HA   GLU  51           HA       GLU  51   2.229  -0.971   4.142
  396    HB2  GLU  51           HB2      GLU  51   0.148   1.218   3.938
  397    HB3  GLU  51           HB1      GLU  51   1.405   1.058   5.169
  398    HG2  GLU  51           HG2      GLU  51   3.115   1.182   3.348
  399    HG3  GLU  51           HG1      GLU  51   1.812   1.528   2.211
  400    H    GLN  52           HN       GLN  52   1.401  -1.717   6.098
  401    HA   GLN  52           HA       GLN  52  -1.198  -3.094   5.859
  402    HB2  GLN  52           HB2      GLN  52  -0.462  -4.540   7.506
  403    HB3  GLN  52           HB1      GLN  52   1.088  -4.033   6.838
  404    HG2  GLN  52           HG2      GLN  52   1.018  -2.145   8.603
  405    HG3  GLN  52           HG1      GLN  52  -0.254  -3.095   9.375
  406   HE21  GLN  52          HE21      GLN  52   0.335  -5.336  10.069
  407   HE22  GLN  52          HE22      GLN  52   1.957  -5.709  10.406
  408    H    CYS  53           HN       CYS  53  -2.892  -2.809   7.412
  409    HA   CYS  53           HA       CYS  53  -2.625  -0.599   9.346
  410    HB2  CYS  53           HB2      CYS  53  -3.763  -0.210   6.766
  411    HB3  CYS  53           HB1      CYS  53  -5.082  -0.178   7.936
  412    H    THR  54           HN       THR  54  -4.716  -0.421  10.659
  413    HA   THR  54           HA       THR  54  -5.672  -3.154  11.222
  414    HB   THR  54           HB       THR  54  -6.860  -1.087  12.871
  415    HG1  THR  54           HG1      THR  54  -4.157  -1.140  13.338
  416   HG21  THR  54          HG21      THR  54  -5.912  -2.422  14.650
  417   HG22  THR  54          HG22      THR  54  -4.788  -3.194  13.530
  418   HG23  THR  54          HG23      THR  54  -6.518  -3.518  13.409
  419    H    ARG  55           HN       ARG  55  -8.071  -3.420  11.644
  420    HA   ARG  55           HA       ARG  55  -9.583  -2.704   9.349
  421    HB2  ARG  55           HB2      ARG  55 -11.547  -3.512  10.624
  422    HB3  ARG  55           HB1      ARG  55 -10.180  -4.615  10.786
  423    HG2  ARG  55           HG2      ARG  55  -9.596  -3.257  12.914
  424    HG3  ARG  55           HG1      ARG  55 -11.244  -2.638  12.801
  425    HD2  ARG  55           HD2      ARG  55 -12.053  -5.023  12.727
  426    HD3  ARG  55           HD1      ARG  55 -10.398  -5.536  13.060
  427    HE   ARG  55           HE       ARG  55 -11.061  -3.663  15.056
  428   HH11  ARG  55          HH21      ARG  55 -12.127  -6.719  13.862
  429   HH12  ARG  55          HH22      ARG  55 -12.706  -7.266  15.400
  430   HH21  ARG  55          HH11      ARG  55 -11.811  -4.362  17.069
  431   HH22  ARG  55          HH12      ARG  55 -12.527  -5.932  17.216
  432    H    GLY  56           HN       GLY  56  -9.572  -1.285  12.619
  433    HA2  GLY  56           HA2      GLY  56 -11.451   0.806  11.764
  434    HA3  GLY  56           HA1      GLY  56 -10.723   0.658  13.364
  435    H    SER  57           HN       SER  57  -8.545   0.444  10.678
  436    HA   SER  57           HA       SER  57  -7.303   2.964  11.543
  437    HB2  SER  57           HB2      SER  57  -6.490   1.032   9.354
  438    HB3  SER  57           HB1      SER  57  -5.515   2.367   9.961
  439    HG   SER  57           HG       SER  57  -5.799   1.294  12.077
  440    H    LEU  58           HN       LEU  58  -9.416   1.839   9.071
  441    HA   LEU  58           HA       LEU  58  -9.319   4.530   7.805
  442    HB2  LEU  58           HB2      LEU  58 -10.029   2.264   6.031
  443    HB3  LEU  58           HB1      LEU  58  -9.105   3.721   5.685
  444    HG   LEU  58           HG       LEU  58  -8.035   1.355   7.264
  445   HD11  LEU  58          HD11      LEU  58  -7.362   2.219   4.438
  446   HD12  LEU  58          HD12      LEU  58  -8.514   0.937   4.806
  447   HD13  LEU  58          HD13      LEU  58  -6.820   0.762   5.270
  448   HD21  LEU  58          HD21      LEU  58  -6.085   3.097   6.038
  449   HD22  LEU  58          HD22      LEU  58  -6.284   2.707   7.744
  450   HD23  LEU  58          HD23      LEU  58  -7.172   4.055   7.039
  451    H    PHE  59           HN       PHE  59 -11.416   4.792   6.382
  452    HA   PHE  59           HA       PHE  59 -13.699   3.661   7.961
  453    HB2  PHE  59           HB2      PHE  59 -13.711   6.296   6.491
  454    HB3  PHE  59           HB1      PHE  59 -14.868   5.716   7.690
  455    HD1  PHE  59           HD1      PHE  59 -11.242   6.555   7.271
  456    HD2  PHE  59           HD2      PHE  59 -14.578   6.231   9.959
  457    HE1  PHE  59           HE1      PHE  59  -9.879   7.558   9.084
  458    HE2  PHE  59           HE2      PHE  59 -13.215   7.235  11.770
  459    HZ   PHE  59           HZ       PHE  59 -10.866   7.900  11.333
  460    H    MET  60           HN       MET  60 -14.640   2.112   6.732
  461    HA   MET  60           HA       MET  60 -14.560   2.116   3.833
  462    HB2  MET  60           HB2      MET  60 -16.212   0.494   5.789
  463    HB3  MET  60           HB1      MET  60 -16.140   0.193   4.053
  464    HG2  MET  60           HG2      MET  60 -13.520   0.420   5.415
  465    HG3  MET  60           HG1      MET  60 -14.480  -0.995   5.845
  466    HE1  MET  60           HE1      MET  60 -11.978  -1.934   4.696
  467    HE2  MET  60           HE2      MET  60 -12.551  -3.025   3.436
  468    HE3  MET  60           HE3      MET  60 -13.438  -2.901   4.954
  469    H    CYS  61           HN       CYS  61 -16.226   2.626   2.382
  470    HA   CYS  61           HA       CYS  61 -18.342   4.406   3.477
  471    HB2  CYS  61           HB2      CYS  61 -16.958   5.218   1.567
  472    HB3  CYS  61           HB1      CYS  61 -17.568   3.884   0.592
  473    H    SER  62           HN       SER  62 -20.541   3.964   3.197
  474    HA   SER  62           HA       SER  62 -21.210   1.153   2.643
  475    HB2  SER  62           HB2      SER  62 -22.663   1.736   4.292
  476    HB3  SER  62           HB1      SER  62 -22.494   3.456   3.952
  477    HG   SER  62           HG       SER  62 -24.595   2.646   3.472
  478    H    ILE  63           HN       ILE  63 -21.128   4.145   0.961
  479    HA   ILE  63           HA       ILE  63 -23.064   3.234  -1.091
  480    HB   ILE  63           HB       ILE  63 -21.440   5.795  -0.980
  481   HG12  ILE  63          HG12      ILE  63 -24.289   5.254  -0.076
  482   HG13  ILE  63          HG11      ILE  63 -22.919   5.530   0.999
  483   HG21  ILE  63          HG21      ILE  63 -23.101   6.613  -2.580
  484   HG22  ILE  63          HG22      ILE  63 -23.967   5.078  -2.500
  485   HG23  ILE  63          HG23      ILE  63 -22.354   5.145  -3.208
  486   HD11  ILE  63          HD11      ILE  63 -22.580   7.761  -0.072
  487   HD12  ILE  63          HD12      ILE  63 -24.145   7.617   0.727
  488   HD13  ILE  63          HD13      ILE  63 -24.037   7.488  -1.028
  489    H    VAL  64           HN       VAL  64 -21.903   1.515  -2.072
  490    HA   VAL  64           HA       VAL  64 -19.153   1.768  -2.913
  491    HB   VAL  64           HB       VAL  64 -19.521  -0.314  -4.098
  492   HG11  VAL  64          HG11      VAL  64 -19.663  -0.120  -1.477
  493   HG12  VAL  64          HG12      VAL  64 -20.061  -1.649  -2.261
  494   HG13  VAL  64          HG13      VAL  64 -21.350  -0.569  -1.728
  495   HG21  VAL  64          HG21      VAL  64 -21.479  -0.318  -5.278
  496   HG22  VAL  64          HG22      VAL  64 -22.313   0.677  -4.085
  497   HG23  VAL  64          HG23      VAL  64 -22.131  -1.056  -3.814
  498    H    GLN  65           HN       GLN  65 -19.133   0.979  -5.574
  499    HA   GLN  65           HA       GLN  65 -19.372   1.784  -7.771
  500    HB2  GLN  65           HB2      GLN  65 -21.880   2.098  -6.716
  501    HB3  GLN  65           HB1      GLN  65 -21.469   3.762  -7.134
  502    HG2  GLN  65           HG2      GLN  65 -20.821   2.971  -9.421
  503    HG3  GLN  65           HG1      GLN  65 -21.409   1.366  -8.987
  504   HE21  GLN  65          HE21      GLN  65 -22.371   4.420 -10.226
  505   HE22  GLN  65          HE22      GLN  65 -24.048   4.184 -10.136
  506    H    GLY  66           HN       GLY  66 -17.536   2.980  -8.105
  507    HA2  GLY  66           HA2      GLY  66 -16.076   4.822  -8.086
  508    HA3  GLY  66           HA1      GLY  66 -17.550   5.770  -8.290
  509    H    CYS  67           HN       CYS  67 -15.903   3.972  -5.664
  510    HA   CYS  67           HA       CYS  67 -16.078   6.395  -3.975
  511    HB2  CYS  67           HB2      CYS  67 -18.175   4.944  -3.647
  512    HB3  CYS  67           HB1      CYS  67 -17.098   3.751  -2.921
  513    H    LYS  68           HN       LYS  68 -14.056   6.619  -3.164
  514    HA   LYS  68           HA       LYS  68 -11.975   4.750  -3.326
  515    HB2  LYS  68           HB2      LYS  68 -12.390   7.301  -2.131
  516    HB3  LYS  68           HB1      LYS  68 -11.608   6.271  -0.931
  517    HG2  LYS  68           HG2      LYS  68  -9.835   5.711  -2.511
  518    HG3  LYS  68           HG1      LYS  68 -10.642   6.623  -3.785
  519    HD2  LYS  68           HD2      LYS  68 -10.482   8.629  -2.120
  520    HD3  LYS  68           HD1      LYS  68  -9.248   7.655  -1.324
  521    HE2  LYS  68           HE2      LYS  68  -8.086   7.444  -3.549
  522    HE3  LYS  68           HE1      LYS  68  -9.251   8.594  -4.205
  523    HZ1  LYS  68           HZ1      LYS  68  -6.987   9.407  -3.239
  524    HZ2  LYS  68           HZ2      LYS  68  -7.801   9.291  -1.752
  525    HZ3  LYS  68           HZ3      LYS  68  -8.402  10.304  -2.977
  526    H    ARG  69           HN       ARG  69 -14.733   4.602  -1.374
  527    HA   ARG  69           HA       ARG  69 -15.407   3.078   0.251
  528    HB2  ARG  69           HB2      ARG  69 -13.483   1.709  -1.347
  529    HB3  ARG  69           HB1      ARG  69 -13.217   1.255   0.336
  530    HG2  ARG  69           HG2      ARG  69 -15.653   0.772   0.553
  531    HG3  ARG  69           HG1      ARG  69 -15.845   1.125  -1.165
  532    HD2  ARG  69           HD2      ARG  69 -15.614  -1.300  -0.802
  533    HD3  ARG  69           HD1      ARG  69 -14.239  -0.674  -1.712
  534    HE   ARG  69           HE       ARG  69 -13.775  -0.737   1.171
  535   HH11  ARG  69          HH21      ARG  69 -13.732  -2.456  -1.817
  536   HH12  ARG  69          HH22      ARG  69 -12.520  -3.582  -1.305
  537   HH21  ARG  69          HH11      ARG  69 -12.191  -2.196   1.857
  538   HH22  ARG  69          HH12      ARG  69 -11.648  -3.435   0.775
  539    H    THR  70           HN       THR  70 -11.881   2.781   0.730
  540    HA   THR  70           HA       THR  70 -12.332   3.446   3.576
  541    HB   THR  70           HB       THR  70  -9.857   2.817   3.732
  542    HG1  THR  70           HG1      THR  70 -10.423   1.639   1.228
  543   HG21  THR  70          HG21      THR  70 -10.436   0.364   3.523
  544   HG22  THR  70          HG22      THR  70 -11.997   0.864   2.873
  545   HG23  THR  70          HG23      THR  70 -11.544   1.306   4.519
  546    H    TYR  71           HN       TYR  71 -10.920   4.971   4.683
  547    HA   TYR  71           HA       TYR  71  -9.436   6.909   3.049
  548    HB2  TYR  71           HB2      TYR  71 -11.780   7.763   4.766
  549    HB3  TYR  71           HB1      TYR  71 -10.692   8.841   3.896
  550    HD1  TYR  71           HD1      TYR  71 -13.310   6.245   3.501
  551    HD2  TYR  71           HD2      TYR  71 -10.880   9.181   1.528
  552    HE1  TYR  71           HE1      TYR  71 -14.689   6.010   1.455
  553    HE2  TYR  71           HE2      TYR  71 -12.258   8.950  -0.516
  554    HH   TYR  71           HH       TYR  71 -15.252   7.341  -0.542
  555    H    LEU  72           HN       LEU  72  -8.522   8.639   4.649
  556    HA   LEU  72           HA       LEU  72  -7.546   7.154   7.022
  557    HB2  LEU  72           HB2      LEU  72  -6.279   9.731   6.482
  558    HB3  LEU  72           HB1      LEU  72  -5.548   8.137   6.659
  559    HG   LEU  72           HG       LEU  72  -6.895   9.214   4.162
  560   HD11  LEU  72          HD11      LEU  72  -4.756  10.220   4.331
  561   HD12  LEU  72          HD12      LEU  72  -4.503   8.824   3.283
  562   HD13  LEU  72          HD13      LEU  72  -4.025   8.752   4.979
  563   HD21  LEU  72          HD21      LEU  72  -6.308   6.508   5.060
  564   HD22  LEU  72          HD22      LEU  72  -5.401   6.893   3.598
  565   HD23  LEU  72          HD23      LEU  72  -7.159   7.034   3.606
  566    H    SER  73           HN       SER  73  -9.747   9.639   6.257
  567    HA   SER  73           HA       SER  73 -10.136  10.179   9.104
  568    HB2  SER  73           HB2      SER  73  -8.215  11.688   8.415
  569    HB3  SER  73           HB1      SER  73  -9.348  12.517   7.352
  570    HG   SER  73           HG       SER  73 -10.388  13.303   9.053
  571    H    GLN  74           HN       GLN  74 -12.203  10.850   9.502
  572    HA   GLN  74           HA       GLN  74 -14.298  10.522   7.743
  573    HB2  GLN  74           HB2      GLN  74 -14.119  11.360  10.323
  574    HB3  GLN  74           HB1      GLN  74 -14.642  12.850   9.533
  575    HG2  GLN  74           HG2      GLN  74 -16.666  11.749  10.068
  576    HG3  GLN  74           HG1      GLN  74 -16.415  11.377   8.362
  577   HE21  GLN  74          HE21      GLN  74 -15.532   9.190   7.842
  578   HE22  GLN  74          HE22      GLN  74 -15.741   7.914   8.942
  579    H    ARG  75           HN       ARG  75 -12.200  13.325   8.010
  580    HA   ARG  75           HA       ARG  75 -13.768  15.134   6.437
  581    HB2  ARG  75           HB2      ARG  75 -11.806  15.735   7.904
  582    HB3  ARG  75           HB1      ARG  75 -10.750  15.043   6.673
  583    HG2  ARG  75           HG2      ARG  75 -12.411  16.711   5.209
  584    HG3  ARG  75           HG1      ARG  75 -12.137  17.616   6.694
  585    HD2  ARG  75           HD2      ARG  75  -9.654  17.098   6.392
  586    HD3  ARG  75           HD1      ARG  75 -10.067  16.550   4.767
  587    HE   ARG  75           HE       ARG  75  -9.950  19.319   5.651
  588   HH11  ARG  75          HH21      ARG  75 -11.420  17.032   3.532
  589   HH12  ARG  75          HH22      ARG  75 -11.829  18.210   2.329
  590   HH21  ARG  75          HH11      ARG  75 -10.474  20.869   4.093
  591   HH22  ARG  75          HH12      ARG  75 -11.293  20.383   2.647
  592    H    ASP  76           HN       ASP  76 -11.474  12.621   5.576
  593    HA   ASP  76           HA       ASP  76 -11.428  13.441   2.755
  594    HB2  ASP  76           HB2      ASP  76 -10.216  11.130   4.288
  595    HB3  ASP  76           HB1      ASP  76 -10.134  11.232   2.529
  596    H    LEU  77           HN       LEU  77 -12.942  11.076   4.830
  597    HA   LEU  77           HA       LEU  77 -14.155   9.592   2.656
  598    HB2  LEU  77           HB2      LEU  77 -13.997   8.277   4.567
  599    HB3  LEU  77           HB1      LEU  77 -14.367   9.602   5.645
  600    HG   LEU  77           HG       LEU  77 -16.452   8.602   3.712
  601   HD11  LEU  77          HD11      LEU  77 -17.230   7.006   5.414
  602   HD12  LEU  77          HD12      LEU  77 -15.843   7.409   6.425
  603   HD13  LEU  77          HD13      LEU  77 -15.599   6.608   4.872
  604   HD21  LEU  77          HD21      LEU  77 -17.390   9.216   6.364
  605   HD22  LEU  77          HD22      LEU  77 -17.775  10.030   4.851
  606   HD23  LEU  77          HD23      LEU  77 -16.388  10.549   5.799
  607    H    GLN  78           HN       GLN  78 -14.995  12.264   4.771
  608    HA   GLN  78           HA       GLN  78 -17.742  12.367   3.840
  609    HB2  GLN  78           HB2      GLN  78 -16.919  13.396   6.016
  610    HB3  GLN  78           HB1      GLN  78 -16.132  14.638   5.041
  611    HG2  GLN  78           HG2      GLN  78 -18.252  15.548   5.661
  612    HG3  GLN  78           HG1      GLN  78 -18.413  15.057   3.974
  613   HE21  GLN  78          HE21      GLN  78 -20.174  13.722   3.523
  614   HE22  GLN  78          HE22      GLN  78 -21.022  12.810   4.676
  615    H    ALA  79           HN       ALA  79 -14.667  13.712   2.959
  616    HA   ALA  79           HA       ALA  79 -15.725  15.516   0.951
  617    HB1  ALA  79           HB1      ALA  79 -12.961  14.269   1.182
  618    HB2  ALA  79           HB2      ALA  79 -13.448  15.786   1.938
  619    HB3  ALA  79           HB3      ALA  79 -13.390  15.656   0.180
  620    H    HIS  80           HN       HIS  80 -15.189  12.094   1.208
  621    HA   HIS  80           HA       HIS  80 -14.991  11.732  -1.681
  622    HB2  HIS  80           HB2      HIS  80 -14.517   9.585  -1.214
  623    HB3  HIS  80           HB1      HIS  80 -14.356  10.157   0.437
  624    HD1  HIS  80           HD1      HIS  80 -15.665   8.812   2.058
  625    HD2  HIS  80           HD2      HIS  80 -17.473   8.839  -1.689
  626    HE1  HIS  80           HE1      HIS  80 -17.697   7.314   2.233
  627    H    ILE  81           HN       ILE  81 -17.529  11.503   0.750
  628    HA   ILE  81           HA       ILE  81 -19.617  10.530  -0.867
  629    HB   ILE  81           HB       ILE  81 -20.146  12.775   1.069
  630   HG12  ILE  81          HG12      ILE  81 -18.519  11.085   2.058
  631   HG13  ILE  81          HG11      ILE  81 -19.979  11.398   2.969
  632   HG21  ILE  81          HG21      ILE  81 -22.126  11.268   1.589
  633   HG22  ILE  81          HG22      ILE  81 -21.634  10.285   0.212
  634   HG23  ILE  81          HG23      ILE  81 -22.094  11.968  -0.026
  635   HD11  ILE  81          HD11      ILE  81 -20.980   9.361   2.289
  636   HD12  ILE  81          HD12      ILE  81 -19.316   8.934   2.676
  637   HD13  ILE  81          HD13      ILE  81 -19.809   9.124   0.994
  638    H    ASN  82           HN       ASN  82 -18.755  13.895  -0.132
  639    HA   ASN  82           HA       ASN  82 -20.603  15.002  -2.030
  640    HB2  ASN  82           HB2      ASN  82 -18.084  16.423  -1.221
  641    HB3  ASN  82           HB1      ASN  82 -19.708  17.077  -1.444
  642   HD21  ASN  82          HD21      ASN  82 -17.736  16.961   0.987
  643   HD22  ASN  82          HD22      ASN  82 -18.722  16.409   2.254
  644    H    HIS  83           HN       HIS  83 -17.347  13.744  -2.300
  645    HA   HIS  83           HA       HIS  83 -17.043  15.004  -4.939
  646    HB2  HIS  83           HB2      HIS  83 -15.215  13.190  -3.384
  647    HB3  HIS  83           HB1      HIS  83 -14.833  13.829  -4.975
  648    HD1  HIS  83           HD1      HIS  83 -12.833  14.884  -3.273
  649    HD2  HIS  83           HD2      HIS  83 -16.639  16.586  -3.155
  650    HE1  HIS  83           HE1      HIS  83 -12.559  17.186  -2.248
  651    HE2  HIS  83           HE2      HIS  83 -14.868  18.230  -2.172
  652    H    ARG  84           HN       ARG  84 -18.372  12.092  -3.756
  653    HA   ARG  84           HA       ARG  84 -17.889  10.746  -6.362
  654    HB2  ARG  84           HB2      ARG  84 -18.576   9.610  -3.663
  655    HB3  ARG  84           HB1      ARG  84 -18.428   8.648  -5.133
  656    HG2  ARG  84           HG2      ARG  84 -16.227  10.444  -4.064
  657    HG3  ARG  84           HG1      ARG  84 -16.325   8.719  -3.723
  658    HD2  ARG  84           HD2      ARG  84 -16.587   8.817  -6.485
  659    HD3  ARG  84           HD1      ARG  84 -15.426  10.099  -6.148
  660    HE   ARG  84           HE       ARG  84 -14.553   7.916  -4.641
  661   HH11  ARG  84          HH21      ARG  84 -15.269   8.648  -7.932
  662   HH12  ARG  84          HH22      ARG  84 -14.101   7.541  -8.572
  663   HH21  ARG  84          HH11      ARG  84 -13.023   6.465  -5.457
  664   HH22  ARG  84          HH12      ARG  84 -12.829   6.305  -7.170
  665    H    HIS  85           HN       HIS  85 -20.506  10.959  -3.942
  666    HA   HIS  85           HA       HIS  85 -22.429  10.903  -6.219
  667    HB2  HIS  85           HB2      HIS  85 -23.771   9.583  -4.203
  668    HB3  HIS  85           HB1      HIS  85 -22.983   8.801  -5.574
  669    HD1  HIS  85           HD1      HIS  85 -21.560   6.926  -4.773
  670    HD2  HIS  85           HD2      HIS  85 -21.470  10.141  -2.123
  671    HE1  HIS  85           HE1      HIS  85 -19.971   6.273  -2.913
  672    H    MET  86           HN       MET  86 -21.607  11.932  -3.017
  673    HA   MET  86           HA       MET  86 -22.517  13.603  -1.645
  674    HB2  MET  86           HB2      MET  86 -22.161  14.822  -3.885
  675    HB3  MET  86           HB1      MET  86 -23.895  14.619  -4.132
  676    HG2  MET  86           HG2      MET  86 -23.792  15.562  -1.549
  677    HG3  MET  86           HG1      MET  86 -22.464  16.434  -2.315
  678    HE1  MET  86           HE1      MET  86 -23.976  18.955  -2.045
  679    HE2  MET  86           HE2      MET  86 -24.616  17.689  -1.003
  680    HE3  MET  86           HE3      MET  86 -25.717  18.650  -1.985
  681    H    ARG  87           HN       ARG  87 -23.907  11.279  -1.440
  682    HA   ARG  87           HA       ARG  87 -26.597  11.120  -2.114
  683    HB2  ARG  87           HB2      ARG  87 -26.927   9.829  -0.057
  684    HB3  ARG  87           HB1      ARG  87 -25.374   9.412  -0.782
  685    HG2  ARG  87           HG2      ARG  87 -24.446   9.890   1.220
  686    HG3  ARG  87           HG1      ARG  87 -24.784  11.583   0.867
  687    HD2  ARG  87           HD2      ARG  87 -25.779  11.137   2.999
  688    HD3  ARG  87           HD1      ARG  87 -27.107  11.195   1.840
  689    HE   ARG  87           HE       ARG  87 -26.109   8.497   2.163
  690   HH11  ARG  87          HH21      ARG  87 -28.036  10.996   3.553
  691   HH12  ARG  87          HH22      ARG  87 -29.059   9.904   4.424
  692   HH21  ARG  87          HH11      ARG  87 -27.433   7.058   3.292
  693   HH22  ARG  87          HH12      ARG  87 -28.718   7.674   4.276
  694    H    ALA  88           HN       ALA  88 -25.084  13.439  -0.032
  695    HA   ALA  88           HA       ALA  88 -27.127  14.253   1.679
  696    HB1  ALA  88           HB1      ALA  88 -25.605  15.859   2.084
  697    HB2  ALA  88           HB2      ALA  88 -26.008  16.620   0.545
  698    HB3  ALA  88           HB3      ALA  88 -24.732  15.406   0.621
  699    H    GLY  89           HN       GLY  89 -29.209  14.794   1.273
  700    HA2  GLY  89           HA2      GLY  89 -29.999  15.549  -1.472
  701    HA3  GLY  89           HA1      GLY  89 -31.100  15.170  -0.146
  Start of MODEL    8
    1    H1   VAL   1           HT1      VAL   1 -16.672  -5.187   5.723
    2    H2   VAL   1           HT2      VAL   1 -16.182  -5.141   7.349
    3    H3   VAL   1           HT3      VAL   1 -17.745  -5.669   6.944
    4    HA   VAL   1           HA       VAL   1 -16.377  -7.561   7.481
    5    HB   VAL   1           HB       VAL   1 -16.600  -8.773   5.296
    6   HG11  VAL   1          HG11      VAL   1 -18.609  -8.881   6.424
    7   HG12  VAL   1          HG12      VAL   1 -19.131  -7.948   5.021
    8   HG13  VAL   1          HG13      VAL   1 -18.760  -7.128   6.538
    9   HG21  VAL   1          HG21      VAL   1 -17.522  -7.525   3.377
   10   HG22  VAL   1          HG22      VAL   1 -15.948  -6.877   3.842
   11   HG23  VAL   1          HG23      VAL   1 -17.423  -6.026   4.301
   12    H    HIS   2           HN       HIS   2 -14.421  -8.741   7.123
   13    HA   HIS   2           HA       HIS   2 -12.224  -7.102   5.994
   14    HB2  HIS   2           HB2      HIS   2 -11.049  -9.266   7.226
   15    HB3  HIS   2           HB1      HIS   2 -11.367  -7.722   8.013
   16    HD1  HIS   2           HD1      HIS   2 -12.419  -8.146  10.229
   17    HD2  HIS   2           HD2      HIS   2 -13.811 -10.815   7.341
   18    HE1  HIS   2           HE1      HIS   2 -14.155  -9.599  11.371
   19    HE2  HIS   2           HE2      HIS   2 -15.007 -11.227   9.622
   20    H    PHE   3           HN       PHE   3 -14.214  -8.841   4.463
   21    HA   PHE   3           HA       PHE   3 -12.691 -11.120   3.507
   22    HB2  PHE   3           HB2      PHE   3 -15.309  -9.901   2.983
   23    HB3  PHE   3           HB1      PHE   3 -14.551 -10.570   1.539
   24    HD1  PHE   3           HD1      PHE   3 -14.449 -11.624   5.135
   25    HD2  PHE   3           HD2      PHE   3 -15.505 -12.665   1.103
   26    HE1  PHE   3           HE1      PHE   3 -15.048 -13.912   5.883
   27    HE2  PHE   3           HE2      PHE   3 -16.103 -14.953   1.850
   28    HZ   PHE   3           HZ       PHE   3 -15.875 -15.576   4.240
   29    H    CYS   4           HN       CYS   4 -10.880 -10.866   2.291
   30    HA   CYS   4           HA       CYS   4  -9.898  -8.582   1.080
   31    HB2  CYS   4           HB2      CYS   4  -8.605 -10.646   1.220
   32    HB3  CYS   4           HB1      CYS   4  -9.680 -11.421   0.058
   33    H    ASP   5           HN       ASP   5 -10.078  -7.611  -0.962
   34    HA   ASP   5           HA       ASP   5 -12.666  -7.859  -2.236
   35    HB2  ASP   5           HB2      ASP   5 -10.452  -6.022  -2.274
   36    HB3  ASP   5           HB1      ASP   5 -10.883  -6.445  -3.932
   37    H    LYS   6           HN       LYS   6  -9.369  -8.964  -3.002
   38    HA   LYS   6           HA       LYS   6 -10.436 -10.237  -5.474
   39    HB2  LYS   6           HB2      LYS   6  -8.021  -8.889  -4.918
   40    HB3  LYS   6           HB1      LYS   6  -7.598 -10.589  -5.120
   41    HG2  LYS   6           HG2      LYS   6  -9.317  -9.041  -7.087
   42    HG3  LYS   6           HG1      LYS   6  -7.580  -9.264  -7.266
   43    HD2  LYS   6           HD2      LYS   6  -9.177 -11.726  -6.774
   44    HD3  LYS   6           HD1      LYS   6  -9.364 -10.962  -8.351
   45    HE2  LYS   6           HE2      LYS   6  -6.933 -11.012  -8.686
   46    HE3  LYS   6           HE1      LYS   6  -6.717 -11.732  -7.089
   47    HZ1  LYS   6           HZ1      LYS   6  -8.535 -13.045  -8.972
   48    HZ2  LYS   6           HZ2      LYS   6  -7.549 -13.722  -7.765
   49    HZ3  LYS   6           HZ3      LYS   6  -6.867 -13.205  -9.233
   50    H    CYS   7           HN       CYS   7  -8.273 -11.071  -2.757
   51    HA   CYS   7           HA       CYS   7  -8.325 -13.879  -3.323
   52    HB2  CYS   7           HB2      CYS   7  -7.888 -12.763  -0.560
   53    HB3  CYS   7           HB1      CYS   7  -7.133 -14.164  -1.316
   54    H    GLY   8           HN       GLY   8 -10.688 -11.825  -1.972
   55    HA2  GLY   8           HA2      GLY   8 -12.751 -12.271  -0.948
   56    HA3  GLY   8           HA1      GLY   8 -12.664 -13.826  -1.775
   57    H    LEU   9           HN       LEU   9  -9.952 -13.523   0.166
   58    HA   LEU   9           HA       LEU   9 -11.125 -15.375   2.148
   59    HB2  LEU   9           HB2      LEU   9  -8.408 -14.676   1.203
   60    HB3  LEU   9           HB1      LEU   9  -8.520 -14.992   2.932
   61    HG   LEU   9           HG       LEU   9  -9.677 -17.156   2.415
   62   HD11  LEU   9          HD11      LEU   9 -10.541 -16.485   0.181
   63   HD12  LEU   9          HD12      LEU   9  -9.617 -17.985   0.102
   64   HD13  LEU   9          HD13      LEU   9  -8.889 -16.472  -0.436
   65   HD21  LEU   9          HD21      LEU   9  -7.424 -17.518   2.842
   66   HD22  LEU   9          HD22      LEU   9  -6.898 -16.507   1.496
   67   HD23  LEU   9          HD23      LEU   9  -7.533 -18.125   1.191
   68    HA   PRO  10           HA       PRO  10 -11.668 -12.305   5.244
   69    HB2  PRO  10           HB2      PRO  10 -10.850 -13.579   7.526
   70    HB3  PRO  10           HB1      PRO  10 -12.415 -13.838   6.734
   71    HG2  PRO  10           HG2      PRO  10  -9.963 -15.512   6.666
   72    HG3  PRO  10           HG1      PRO  10 -11.666 -15.998   6.642
   73    HD2  PRO  10           HD2      PRO  10 -10.067 -15.960   4.401
   74    HD3  PRO  10           HD1      PRO  10 -11.834 -15.773   4.350
   75    H    ILE  11           HN       ILE  11 -10.221 -10.741   4.797
   76    HA   ILE  11           HA       ILE  11  -7.457 -10.640   4.945
   77    HB   ILE  11           HB       ILE  11  -9.440  -8.486   5.748
   78   HG12  ILE  11          HG12      ILE  11  -8.000  -8.864   3.109
   79   HG13  ILE  11          HG11      ILE  11  -9.585  -9.548   3.416
   80   HG21  ILE  11          HG21      ILE  11  -7.209  -7.284   4.641
   81   HG22  ILE  11          HG22      ILE  11  -6.519  -8.592   5.603
   82   HG23  ILE  11          HG23      ILE  11  -7.557  -7.393   6.368
   83   HD11  ILE  11          HD11      ILE  11  -9.052  -6.952   2.520
   84   HD12  ILE  11          HD12      ILE  11  -9.474  -6.751   4.218
   85   HD13  ILE  11          HD13      ILE  11 -10.598  -7.552   3.120
   86    H    LYS  12           HN       LYS  12  -6.066 -11.046   6.571
   87    HA   LYS  12           HA       LYS  12  -7.004 -11.026   9.367
   88    HB2  LYS  12           HB2      LYS  12  -4.231 -11.575   8.254
   89    HB3  LYS  12           HB1      LYS  12  -4.790 -11.928   9.889
   90    HG2  LYS  12           HG2      LYS  12  -6.696 -13.178   8.338
   91    HG3  LYS  12           HG1      LYS  12  -5.222 -13.431   7.401
   92    HD2  LYS  12           HD2      LYS  12  -5.633 -14.123  10.324
   93    HD3  LYS  12           HD1      LYS  12  -5.486 -15.265   8.988
   94    HE2  LYS  12           HE2      LYS  12  -3.226 -13.704   8.693
   95    HE3  LYS  12           HE1      LYS  12  -3.388 -13.820  10.445
   96    HZ1  LYS  12           HZ1      LYS  12  -3.502 -16.207  10.267
   97    HZ2  LYS  12           HZ2      LYS  12  -2.088 -15.649   9.507
   98    HZ3  LYS  12           HZ3      LYS  12  -3.426 -16.126   8.575
   99    H    VAL  13           HN       VAL  13  -5.057  -9.148   7.154
  100    HA   VAL  13           HA       VAL  13  -4.971  -6.944   9.128
  101    HB   VAL  13           HB       VAL  13  -2.559  -7.439   7.458
  102   HG11  VAL  13          HG11      VAL  13  -1.450  -6.333   9.352
  103   HG12  VAL  13          HG12      VAL  13  -2.964  -6.353  10.258
  104   HG13  VAL  13          HG13      VAL  13  -2.820  -5.371   8.800
  105   HG21  VAL  13          HG21      VAL  13  -2.838  -9.616   8.453
  106   HG22  VAL  13          HG22      VAL  13  -3.244  -8.906  10.015
  107   HG23  VAL  13          HG23      VAL  13  -1.601  -8.776   9.388
  108    H    TYR  14           HN       TYR  14  -5.073  -4.907   8.066
  109    HA   TYR  14           HA       TYR  14  -6.135  -5.030   5.363
  110    HB2  TYR  14           HB2      TYR  14  -5.721  -2.895   7.390
  111    HB3  TYR  14           HB1      TYR  14  -5.892  -2.413   5.705
  112    HD1  TYR  14           HD1      TYR  14  -7.476  -5.328   7.405
  113    HD2  TYR  14           HD2      TYR  14  -8.055  -1.452   5.661
  114    HE1  TYR  14           HE1      TYR  14  -9.931  -5.629   7.558
  115    HE2  TYR  14           HE2      TYR  14 -10.511  -1.745   5.817
  116    HH   TYR  14           HH       TYR  14 -12.147  -3.442   6.019
  117    H    GLY  15           HN       GLY  15  -4.692  -5.425   3.758
  118    HA2  GLY  15           HA2      GLY  15  -2.003  -4.284   3.796
  119    HA3  GLY  15           HA1      GLY  15  -2.717  -5.212   2.467
  120    H    ARG  16           HN       ARG  16  -2.758  -2.067   4.054
  121    HA   ARG  16           HA       ARG  16  -4.503  -0.733   2.255
  122    HB2  ARG  16           HB2      ARG  16  -3.806   0.320   4.344
  123    HB3  ARG  16           HB1      ARG  16  -2.127   0.353   3.805
  124    HG2  ARG  16           HG2      ARG  16  -2.454   2.198   2.530
  125    HG3  ARG  16           HG1      ARG  16  -3.989   1.596   1.903
  126    HD2  ARG  16           HD2      ARG  16  -5.121   2.252   3.978
  127    HD3  ARG  16           HD1      ARG  16  -3.590   2.808   4.654
  128    HE   ARG  16           HE       ARG  16  -5.202   4.214   2.649
  129   HH11  ARG  16          HH21      ARG  16  -2.123   3.721   4.122
  130   HH12  ARG  16          HH22      ARG  16  -1.521   5.288   3.698
  131   HH21  ARG  16          HH11      ARG  16  -4.433   6.264   2.088
  132   HH22  ARG  16          HH12      ARG  16  -2.827   6.727   2.547
  133    H    MET  17           HN       MET  17  -4.230   0.124   0.265
  134    HA   MET  17           HA       MET  17  -1.535  -0.167  -1.002
  135    HB2  MET  17           HB2      MET  17  -3.291  -1.760  -1.793
  136    HB3  MET  17           HB1      MET  17  -4.248  -0.378  -2.315
  137    HG2  MET  17           HG2      MET  17  -2.799   0.154  -4.041
  138    HG3  MET  17           HG1      MET  17  -1.413  -0.604  -3.262
  139    HE1  MET  17           HE1      MET  17  -2.626  -3.972  -2.757
  140    HE2  MET  17           HE2      MET  17  -1.319  -2.810  -2.580
  141    HE3  MET  17           HE3      MET  17  -1.259  -3.998  -3.876
  142    H    ILE  18           HN       ILE  18  -0.764   1.581  -2.109
  143    HA   ILE  18           HA       ILE  18  -2.576   3.914  -2.518
  144    HB   ILE  18           HB       ILE  18  -0.140   5.108  -2.231
  145   HG12  ILE  18          HG12      ILE  18  -0.170   2.784  -0.286
  146   HG13  ILE  18          HG11      ILE  18   0.940   3.001  -1.641
  147   HG21  ILE  18          HG21      ILE  18  -0.904   5.802  -0.010
  148   HG22  ILE  18          HG22      ILE  18  -1.989   4.416   0.078
  149   HG23  ILE  18          HG23      ILE  18  -2.297   5.705  -1.083
  150   HD11  ILE  18          HD11      ILE  18   2.030   3.753   0.403
  151   HD12  ILE  18          HD12      ILE  18   0.669   4.810   0.773
  152   HD13  ILE  18          HD13      ILE  18   1.696   5.152  -0.619
  153    HA   PRO  19           HA       PRO  19  -1.928   6.049  -3.351
  154    HB2  PRO  19           HB2      PRO  19  -2.749   7.388  -5.555
  155    HB3  PRO  19           HB1      PRO  19  -1.056   7.394  -5.021
  156    HG2  PRO  19           HG2      PRO  19  -2.341   5.872  -7.222
  157    HG3  PRO  19           HG1      PRO  19  -0.727   6.595  -7.137
  158    HD2  PRO  19           HD2      PRO  19  -1.277   3.892  -6.748
  159    HD3  PRO  19           HD1      PRO  19   0.187   4.722  -6.186
  160    H    CYS  20           HN       CYS  20  -3.297   3.508  -5.009
  161    HA   CYS  20           HA       CYS  20  -5.941   4.327  -5.574
  162    HB2  CYS  20           HB2      CYS  20  -4.676   1.993  -5.834
  163    HB3  CYS  20           HB1      CYS  20  -5.490   1.657  -4.306
  164    H    LYS  21           HN       LYS  21  -4.415   3.398  -2.530
  165    HA   LYS  21           HA       LYS  21  -5.089   3.880  -0.328
  166    HB2  LYS  21           HB2      LYS  21  -6.286   5.894  -1.744
  167    HB3  LYS  21           HB1      LYS  21  -7.697   5.061  -1.090
  168    HG2  LYS  21           HG2      LYS  21  -6.745   5.216   1.179
  169    HG3  LYS  21           HG1      LYS  21  -5.328   6.040   0.530
  170    HD2  LYS  21           HD2      LYS  21  -7.804   7.298  -0.353
  171    HD3  LYS  21           HD1      LYS  21  -7.676   7.262   1.405
  172    HE2  LYS  21           HE2      LYS  21  -6.632   9.298   0.376
  173    HE3  LYS  21           HE1      LYS  21  -5.500   8.334   1.325
  174    HZ1  LYS  21           HZ1      LYS  21  -5.829   8.142  -1.619
  175    HZ2  LYS  21           HZ2      LYS  21  -4.677   7.325  -0.675
  176    HZ3  LYS  21           HZ3      LYS  21  -4.599   9.015  -0.842
  177    H    HIS  22           HN       HIS  22  -5.853   1.579  -2.038
  178    HA   HIS  22           HA       HIS  22  -8.474   0.796  -0.900
  179    HB2  HIS  22           HB2      HIS  22  -6.786  -0.096  -3.174
  180    HB3  HIS  22           HB1      HIS  22  -7.717  -1.355  -2.366
  181    HD2  HIS  22           HD2      HIS  22 -10.535   0.158  -1.827
  182    HE1  HIS  22           HE1      HIS  22 -10.444   1.218  -5.914
  183    HE2  HIS  22           HE2      HIS  22 -11.923   1.008  -3.864
  184    H    VAL  23           HN       VAL  23  -8.181  -1.928  -0.570
  185    HA   VAL  23           HA       VAL  23  -5.820  -2.337   1.158
  186    HB   VAL  23           HB       VAL  23  -6.946  -2.686   3.142
  187   HG11  VAL  23          HG11      VAL  23  -8.572  -0.883   3.456
  188   HG12  VAL  23          HG12      VAL  23  -8.770  -0.728   1.715
  189   HG13  VAL  23          HG13      VAL  23  -7.227  -0.322   2.468
  190   HG21  VAL  23          HG21      VAL  23  -8.500  -4.371   2.572
  191   HG22  VAL  23          HG22      VAL  23  -9.312  -3.345   1.388
  192   HG23  VAL  23          HG23      VAL  23  -9.515  -3.034   3.111
  193    H    PHE  24           HN       PHE  24  -5.425  -4.558   1.626
  194    HA   PHE  24           HA       PHE  24  -7.166  -6.631   0.507
  195    HB2  PHE  24           HB2      PHE  24  -4.386  -6.259  -0.652
  196    HB3  PHE  24           HB1      PHE  24  -5.553  -7.503  -1.094
  197    HD1  PHE  24           HD2      PHE  24  -4.697  -3.932  -1.340
  198    HD2  PHE  24           HD1      PHE  24  -7.500  -6.986  -2.459
  199    HE1  PHE  24           HE2      PHE  24  -5.668  -2.413  -3.036
  200    HE2  PHE  24           HE1      PHE  24  -8.471  -5.471  -4.157
  201    HZ   PHE  24           HZ       PHE  24  -7.554  -3.189  -4.464
  202    H    CYS  25           HN       CYS  25  -6.200  -8.838   1.031
  203    HA   CYS  25           HA       CYS  25  -5.234  -8.933   3.681
  204    HB2  CYS  25           HB2      CYS  25  -4.066 -11.159   2.365
  205    HB3  CYS  25           HB1      CYS  25  -5.562 -11.130   3.293
  206    H    TYR  26           HN       TYR  26  -3.406  -7.956   4.414
  207    HA   TYR  26           HA       TYR  26  -1.310  -7.001   2.810
  208    HB2  TYR  26           HB2      TYR  26  -1.700  -6.300   5.157
  209    HB3  TYR  26           HB1      TYR  26  -1.116  -7.871   5.700
  210    HD1  TYR  26           HD2      TYR  26   0.039  -5.207   3.270
  211    HD2  TYR  26           HD1      TYR  26   1.068  -7.884   6.476
  212    HE1  TYR  26           HE2      TYR  26   2.374  -4.392   3.207
  213    HE2  TYR  26           HE1      TYR  26   3.403  -7.062   6.409
  214    HH   TYR  26           HH       TYR  26   4.516  -4.759   5.592
  215    H    ASP  27           HN       ASP  27  -1.894 -10.261   3.793
  216    HA   ASP  27           HA       ASP  27   0.900 -11.053   3.378
  217    HB2  ASP  27           HB2      ASP  27  -1.651 -12.642   3.797
  218    HB3  ASP  27           HB1      ASP  27  -0.077 -13.397   3.540
  219    H    CYS  28           HN       CYS  28  -2.147 -11.092   1.629
  220    HA   CYS  28           HA       CYS  28  -0.944 -12.426  -0.684
  221    HB2  CYS  28           HB2      CYS  28  -3.090 -12.706  -1.379
  222    HB3  CYS  28           HB1      CYS  28  -3.549 -12.116   0.219
  223    H    ALA  29           HN       ALA  29  -1.505  -9.198   0.467
  224    HA   ALA  29           HA       ALA  29  -1.276  -7.875  -2.065
  225    HB1  ALA  29           HB1      ALA  29  -1.494  -5.950  -0.819
  226    HB2  ALA  29           HB2      ALA  29  -0.342  -6.494   0.402
  227    HB3  ALA  29           HB3      ALA  29  -2.002  -7.086   0.430
  228    H    ILE  30           HN       ILE  30   1.033  -9.062   0.322
  229    HA   ILE  30           HA       ILE  30   3.263  -7.790  -1.106
  230    HB   ILE  30           HB       ILE  30   4.644  -8.808   0.637
  231   HG12  ILE  30          HG12      ILE  30   2.045 -10.066   1.577
  232   HG13  ILE  30          HG11      ILE  30   3.391 -10.947   0.867
  233   HG21  ILE  30          HG21      ILE  30   2.076  -7.527   1.574
  234   HG22  ILE  30          HG22      ILE  30   3.547  -6.698   1.086
  235   HG23  ILE  30          HG23      ILE  30   3.528  -7.661   2.560
  236   HD11  ILE  30          HD11      ILE  30   3.312  -9.500   3.514
  237   HD12  ILE  30          HD12      ILE  30   4.830  -9.959   2.743
  238   HD13  ILE  30          HD13      ILE  30   3.667 -11.201   3.209
  239    H    LEU  31           HN       LEU  31   1.762 -10.953  -0.735
  240    HA   LEU  31           HA       LEU  31   3.892 -12.304  -2.210
  241    HB2  LEU  31           HB2      LEU  31   1.152 -13.092  -1.268
  242    HB3  LEU  31           HB1      LEU  31   1.996 -14.100  -2.437
  243    HG   LEU  31           HG       LEU  31   3.464 -13.191   0.011
  244   HD11  LEU  31          HD11      LEU  31   2.592 -15.537   0.911
  245   HD12  LEU  31          HD12      LEU  31   1.202 -15.148  -0.102
  246   HD13  LEU  31          HD13      LEU  31   1.676 -14.058   1.201
  247   HD21  LEU  31          HD21      LEU  31   3.549 -15.938  -1.174
  248   HD22  LEU  31          HD22      LEU  31   4.855 -14.976  -0.481
  249   HD23  LEU  31          HD23      LEU  31   4.260 -14.617  -2.103
  250    H    HIS  32           HN       HIS  32   0.961 -10.560  -2.973
  251    HA   HIS  32           HA       HIS  32   0.809 -11.550  -5.712
  252    HB2  HIS  32           HB2      HIS  32  -0.481  -9.217  -4.279
  253    HB3  HIS  32           HB1      HIS  32  -0.758  -9.558  -5.985
  254    HD1  HIS  32           HD1      HIS  32  -3.282 -10.116  -5.430
  255    HD2  HIS  32           HD2      HIS  32  -0.505 -12.660  -3.635
  256    HE1  HIS  32           HE1      HIS  32  -4.582 -12.126  -4.598
  257    HE2  HIS  32           HE2      HIS  32  -2.902 -13.680  -3.503
  258    H    GLU  33           HN       GLU  33   1.854  -8.501  -4.184
  259    HA   GLU  33           HA       GLU  33   2.834  -7.336  -6.620
  260    HB2  GLU  33           HB2      GLU  33   3.559  -5.581  -5.303
  261    HB3  GLU  33           HB1      GLU  33   2.394  -6.308  -4.199
  262    HG2  GLU  33           HG2      GLU  33   4.368  -7.708  -3.313
  263    HG3  GLU  33           HG1      GLU  33   5.405  -6.568  -4.173
  264    H    LYS  34           HN       LYS  34   4.224  -9.616  -4.339
  265    HA   LYS  34           HA       LYS  34   6.936  -9.284  -5.375
  266    HB2  LYS  34           HB2      LYS  34   5.632 -11.249  -3.491
  267    HB3  LYS  34           HB1      LYS  34   7.292 -11.465  -4.045
  268    HG2  LYS  34           HG2      LYS  34   7.995  -9.407  -3.072
  269    HG3  LYS  34           HG1      LYS  34   6.334  -8.879  -2.810
  270    HD2  LYS  34           HD2      LYS  34   6.137 -10.055  -0.880
  271    HD3  LYS  34           HD1      LYS  34   6.977 -11.456  -1.544
  272    HE2  LYS  34           HE2      LYS  34   9.137 -10.387  -1.196
  273    HE3  LYS  34           HE1      LYS  34   8.351  -8.901  -0.662
  274    HZ1  LYS  34           HZ1      LYS  34   8.782  -9.894   1.329
  275    HZ2  LYS  34           HZ2      LYS  34   8.614 -11.471   0.722
  276    HZ3  LYS  34           HZ3      LYS  34   7.237 -10.526   1.031
  277    H    LYS  35           HN       LYS  35   4.156 -11.313  -6.067
  278    HA   LYS  35           HA       LYS  35   5.709 -13.206  -7.643
  279    HB2  LYS  35           HB2      LYS  35   3.439 -13.620  -6.455
  280    HB3  LYS  35           HB1      LYS  35   2.729 -12.855  -7.875
  281    HG2  LYS  35           HG2      LYS  35   2.769 -14.977  -8.714
  282    HG3  LYS  35           HG1      LYS  35   4.456 -14.593  -9.059
  283    HD2  LYS  35           HD2      LYS  35   5.083 -15.522  -6.829
  284    HD3  LYS  35           HD1      LYS  35   3.403 -16.002  -6.590
  285    HE2  LYS  35           HE2      LYS  35   5.044 -16.886  -8.974
  286    HE3  LYS  35           HE1      LYS  35   4.922 -17.828  -7.487
  287    HZ1  LYS  35           HZ1      LYS  35   2.930 -17.345  -9.550
  288    HZ2  LYS  35           HZ2      LYS  35   2.362 -17.343  -7.949
  289    HZ3  LYS  35           HZ3      LYS  35   3.166 -18.706  -8.566
  290    H    GLY  36           HN       GLY  36   5.104 -10.073  -8.206
  291    HA2  GLY  36           HA2      GLY  36   5.655  -9.009 -10.309
  292    HA3  GLY  36           HA1      GLY  36   5.163 -10.478 -11.153
  293    H    ASP  37           HN       ASP  37   3.332  -8.875  -8.610
  294    HA   ASP  37           HA       ASP  37   1.295  -8.044 -10.618
  295    HB2  ASP  37           HB2      ASP  37   0.416  -8.984  -7.920
  296    HB3  ASP  37           HB1      ASP  37  -0.442  -9.044  -9.459
  297    H    LYS  38           HN       LYS  38   3.066  -6.230  -9.853
  298    HA   LYS  38           HA       LYS  38   2.416  -4.832  -7.408
  299    HB2  LYS  38           HB2      LYS  38   3.688  -2.934  -8.727
  300    HB3  LYS  38           HB1      LYS  38   4.574  -4.352  -8.163
  301    HG2  LYS  38           HG2      LYS  38   4.580  -5.349 -10.302
  302    HG3  LYS  38           HG1      LYS  38   3.291  -4.300 -10.889
  303    HD2  LYS  38           HD2      LYS  38   5.832  -3.024  -9.959
  304    HD3  LYS  38           HD1      LYS  38   5.830  -3.829 -11.529
  305    HE2  LYS  38           HE2      LYS  38   4.296  -2.347 -12.441
  306    HE3  LYS  38           HE1      LYS  38   3.577  -1.966 -10.877
  307    HZ1  LYS  38           HZ1      LYS  38   6.374  -1.245 -11.250
  308    HZ2  LYS  38           HZ2      LYS  38   5.137  -0.419 -10.427
  309    HZ3  LYS  38           HZ3      LYS  38   5.237  -0.336 -12.120
  310    H    MET  39           HN       MET  39   0.198  -5.438  -9.279
  311    HA   MET  39           HA       MET  39  -0.801  -2.660  -9.694
  312    HB2  MET  39           HB2      MET  39  -0.807  -4.994 -11.491
  313    HB3  MET  39           HB1      MET  39  -2.296  -4.039 -11.439
  314    HG2  MET  39           HG2      MET  39  -1.116  -2.010 -11.916
  315    HG3  MET  39           HG1      MET  39   0.445  -2.800 -11.697
  316    HE1  MET  39           HE1      MET  39  -0.844  -1.048 -14.254
  317    HE2  MET  39           HE2      MET  39  -2.379  -1.839 -13.906
  318    HE3  MET  39           HE3      MET  39  -1.625  -2.052 -15.484
  319    H    CYS  40           HN       CYS  40  -2.493  -2.194  -8.448
  320    HA   CYS  40           HA       CYS  40  -3.628  -3.608  -6.448
  321    HB2  CYS  40           HB2      CYS  40  -4.180  -1.224  -7.536
  322    HB3  CYS  40           HB1      CYS  40  -5.609  -2.104  -8.059
  323    HA   PRO  41           HA       PRO  41  -5.260  -7.175  -8.843
  324    HB2  PRO  41           HB2      PRO  41  -6.092  -7.925  -6.077
  325    HB3  PRO  41           HB1      PRO  41  -5.266  -8.899  -7.309
  326    HG2  PRO  41           HG2      PRO  41  -3.978  -7.915  -5.192
  327    HG3  PRO  41           HG1      PRO  41  -3.204  -8.058  -6.780
  328    HD2  PRO  41           HD2      PRO  41  -4.185  -5.618  -5.377
  329    HD3  PRO  41           HD1      PRO  41  -2.846  -5.800  -6.531
  330    H    GLY  42           HN       GLY  42  -6.782  -4.857  -6.796
  331    HA2  GLY  42           HA2      GLY  42  -9.501  -5.880  -7.418
  332    HA3  GLY  42           HA1      GLY  42  -9.124  -4.608  -6.261
  333    H    CYS  43           HN       CYS  43  -7.450  -3.012  -7.994
  334    HA   CYS  43           HA       CYS  43  -9.489  -2.092  -9.981
  335    HB2  CYS  43           HB2      CYS  43  -7.513  -0.177  -8.843
  336    HB3  CYS  43           HB1      CYS  43  -9.184   0.094  -9.337
  337    H    SER  44           HN       SER  44  -6.170  -2.925  -9.446
  338    HA   SER  44           HA       SER  44  -4.462  -3.269 -11.016
  339    HB2  SER  44           HB2      SER  44  -6.643  -3.648 -12.531
  340    HB3  SER  44           HB1      SER  44  -6.076  -2.156 -13.272
  341    HG   SER  44           HG       SER  44  -5.031  -3.777 -14.319
  342    H    ASP  45           HN       ASP  45  -4.206  -1.112  -9.515
  343    HA   ASP  45           HA       ASP  45  -3.592   1.144 -11.372
  344    HB2  ASP  45           HB2      ASP  45  -4.684   2.470  -9.915
  345    HB3  ASP  45           HB1      ASP  45  -5.039   1.069  -8.906
  346    HA   PRO  46           HA       PRO  46   0.697   0.801 -10.471
  347    HB2  PRO  46           HB2      PRO  46   1.348   3.417  -9.732
  348    HB3  PRO  46           HB1      PRO  46   1.249   2.814 -11.394
  349    HG2  PRO  46           HG2      PRO  46  -0.725   4.379  -9.829
  350    HG3  PRO  46           HG1      PRO  46  -0.348   4.436 -11.558
  351    HD2  PRO  46           HD2      PRO  46  -2.579   3.214 -10.611
  352    HD3  PRO  46           HD1      PRO  46  -1.728   2.636 -12.060
  353    H    VAL  47           HN       VAL  47   0.246  -0.507  -8.519
  354    HA   VAL  47           HA       VAL  47  -0.225   0.464  -5.919
  355    HB   VAL  47           HB       VAL  47   1.571  -1.827  -6.770
  356   HG11  VAL  47          HG11      VAL  47   0.451  -2.472  -4.362
  357   HG12  VAL  47          HG12      VAL  47   0.742  -0.743  -4.164
  358   HG13  VAL  47          HG13      VAL  47   2.079  -1.823  -4.563
  359   HG21  VAL  47          HG21      VAL  47  -0.719  -2.943  -5.872
  360   HG22  VAL  47          HG22      VAL  47  -0.457  -2.534  -7.545
  361   HG23  VAL  47          HG23      VAL  47  -1.372  -1.444  -6.526
  362    H    GLN  48           HN       GLN  48   0.886   2.372  -5.419
  363    HA   GLN  48           HA       GLN  48   3.656   2.838  -5.935
  364    HB2  GLN  48           HB2      GLN  48   1.514   4.121  -4.353
  365    HB3  GLN  48           HB1      GLN  48   3.148   4.395  -3.750
  366    HG2  GLN  48           HG2      GLN  48   3.858   5.382  -5.771
  367    HG3  GLN  48           HG1      GLN  48   2.482   4.740  -6.667
  368   HE21  GLN  48          HE21      GLN  48   1.665   6.827  -7.339
  369   HE22  GLN  48          HE22      GLN  48   1.017   7.942  -6.234
  370    H    ARG  49           HN       ARG  49   2.084   2.240  -2.790
  371    HA   ARG  49           HA       ARG  49   4.196   0.318  -2.115
  372    HB2  ARG  49           HB2      ARG  49   4.188   2.020   0.142
  373    HB3  ARG  49           HB1      ARG  49   5.525   1.726  -0.967
  374    HG2  ARG  49           HG2      ARG  49   4.899   3.585  -2.350
  375    HG3  ARG  49           HG1      ARG  49   3.360   3.773  -1.509
  376    HD2  ARG  49           HD2      ARG  49   4.445   4.506   0.497
  377    HD3  ARG  49           HD1      ARG  49   6.032   4.052  -0.122
  378    HE   ARG  49           HE       ARG  49   4.638   6.529  -0.696
  379   HH11  ARG  49          HH21      ARG  49   6.771   4.107  -1.910
  380   HH12  ARG  49          HH22      ARG  49   7.562   5.172  -3.023
  381   HH21  ARG  49          HH11      ARG  49   5.658   7.934  -2.141
  382   HH22  ARG  49          HH12      ARG  49   6.932   7.340  -3.154
  383    H    ILE  50           HN       ILE  50   3.256  -1.277  -0.915
  384    HA   ILE  50           HA       ILE  50   0.568  -0.763   0.125
  385    HB   ILE  50           HB       ILE  50   1.942  -3.377   0.510
  386   HG12  ILE  50          HG12      ILE  50   0.888  -2.267  -2.104
  387   HG13  ILE  50          HG11      ILE  50   2.534  -2.786  -1.770
  388   HG21  ILE  50          HG21      ILE  50  -0.357  -2.896   1.352
  389   HG22  ILE  50          HG22      ILE  50  -0.334  -4.190   0.163
  390   HG23  ILE  50          HG23      ILE  50  -0.868  -2.580  -0.305
  391   HD11  ILE  50          HD11      ILE  50   1.414  -4.558  -2.992
  392   HD12  ILE  50          HD12      ILE  50   0.071  -4.548  -1.853
  393   HD13  ILE  50          HD13      ILE  50   1.663  -5.097  -1.332
  394    H    GLU  51           HN       GLU  51  -0.016  -0.917   2.228
  395    HA   GLU  51           HA       GLU  51   2.137  -1.293   4.245
  396    HB2  GLU  51           HB2      GLU  51   0.126   0.956   4.380
  397    HB3  GLU  51           HB1      GLU  51   1.536   0.705   5.417
  398    HG2  GLU  51           HG2      GLU  51   2.988   0.890   3.390
  399    HG3  GLU  51           HG1      GLU  51   1.555   1.311   2.453
  400    H    GLN  52           HN       GLN  52   1.405  -1.977   6.282
  401    HA   GLN  52           HA       GLN  52  -1.166  -3.414   6.172
  402    HB2  GLN  52           HB2      GLN  52  -0.386  -4.634   8.082
  403    HB3  GLN  52           HB1      GLN  52   0.995  -4.472   6.997
  404    HG2  GLN  52           HG2      GLN  52   1.475  -2.286   8.360
  405    HG3  GLN  52           HG1      GLN  52   0.447  -3.038   9.581
  406   HE21  GLN  52          HE21      GLN  52   1.157  -5.189  10.428
  407   HE22  GLN  52          HE22      GLN  52   2.798  -5.619  10.354
  408    H    CYS  53           HN       CYS  53  -2.846  -3.086   7.691
  409    HA   CYS  53           HA       CYS  53  -2.567  -0.928   9.676
  410    HB2  CYS  53           HB2      CYS  53  -3.825  -0.543   7.088
  411    HB3  CYS  53           HB1      CYS  53  -4.986  -0.306   8.395
  412    H    THR  54           HN       THR  54  -4.664  -0.764  10.989
  413    HA   THR  54           HA       THR  54  -5.601  -3.480  11.549
  414    HB   THR  54           HB       THR  54  -7.070  -1.447  12.973
  415    HG1  THR  54           HG1      THR  54  -4.274  -1.143  12.733
  416   HG21  THR  54          HG21      THR  54  -6.007  -2.536  14.906
  417   HG22  THR  54          HG22      THR  54  -4.879  -3.358  13.828
  418   HG23  THR  54          HG23      THR  54  -6.600  -3.739  13.760
  419    H    ARG  55           HN       ARG  55  -7.994  -3.897  11.725
  420    HA   ARG  55           HA       ARG  55  -9.286  -3.259   9.252
  421    HB2  ARG  55           HB2      ARG  55 -10.689  -4.263  11.729
  422    HB3  ARG  55           HB1      ARG  55 -11.120  -4.557  10.044
  423    HG2  ARG  55           HG2      ARG  55  -8.990  -5.806   9.743
  424    HG3  ARG  55           HG1      ARG  55  -8.632  -5.568  11.454
  425    HD2  ARG  55           HD2      ARG  55 -11.303  -6.606  11.175
  426    HD3  ARG  55           HD1      ARG  55 -10.178  -7.638  10.293
  427    HE   ARG  55           HE       ARG  55  -8.906  -7.249  12.707
  428   HH11  ARG  55          HH21      ARG  55 -12.061  -8.217  11.711
  429   HH12  ARG  55          HH22      ARG  55 -12.329  -9.233  13.088
  430   HH21  ARG  55          HH11      ARG  55  -9.237  -8.570  14.511
  431   HH22  ARG  55          HH12      ARG  55 -10.731  -9.432  14.673
  432    H    GLY  56           HN       GLY  56 -10.564  -2.477  12.502
  433    HA2  GLY  56           HA2      GLY  56 -12.274  -0.415  11.448
  434    HA3  GLY  56           HA1      GLY  56 -11.929  -0.682  13.155
  435    H    SER  57           HN       SER  57  -9.326  -0.096  10.844
  436    HA   SER  57           HA       SER  57  -8.685   2.367  12.357
  437    HB2  SER  57           HB2      SER  57  -7.148   0.720  10.348
  438    HB3  SER  57           HB1      SER  57  -6.571   2.279  10.928
  439    HG   SER  57           HG       SER  57  -6.768   1.404  13.069
  440    H    LEU  58           HN       LEU  58  -9.501   1.323   9.089
  441    HA   LEU  58           HA       LEU  58  -9.432   4.145   8.163
  442    HB2  LEU  58           HB2      LEU  58 -10.164   1.896   6.344
  443    HB3  LEU  58           HB1      LEU  58  -9.216   3.345   6.020
  444    HG   LEU  58           HG       LEU  58  -8.299   0.932   7.611
  445   HD11  LEU  58          HD11      LEU  58  -8.416   0.788   5.070
  446   HD12  LEU  58          HD12      LEU  58  -6.817   0.528   5.769
  447   HD13  LEU  58          HD13      LEU  58  -7.215   2.077   5.025
  448   HD21  LEU  58          HD21      LEU  58  -7.043   2.553   8.641
  449   HD22  LEU  58          HD22      LEU  58  -7.286   3.713   7.335
  450   HD23  LEU  58          HD23      LEU  58  -6.081   2.436   7.168
  451    H    PHE  59           HN       PHE  59 -11.318   4.653   6.561
  452    HA   PHE  59           HA       PHE  59 -13.874   3.783   7.848
  453    HB2  PHE  59           HB2      PHE  59 -13.276   6.391   6.430
  454    HB3  PHE  59           HB1      PHE  59 -14.782   5.969   7.244
  455    HD1  PHE  59           HD2      PHE  59 -14.900   5.810   9.691
  456    HD2  PHE  59           HD1      PHE  59 -11.267   6.937   7.694
  457    HE1  PHE  59           HE2      PHE  59 -13.966   6.615  11.843
  458    HE2  PHE  59           HE1      PHE  59 -10.333   7.741   9.846
  459    HZ   PHE  59           HZ       PHE  59 -11.683   7.580  11.921
  460    H    MET  60           HN       MET  60 -14.725   2.253   6.502
  461    HA   MET  60           HA       MET  60 -14.276   2.240   3.642
  462    HB2  MET  60           HB2      MET  60 -14.988   0.322   5.388
  463    HB3  MET  60           HB1      MET  60 -16.588   0.752   4.782
  464    HG2  MET  60           HG2      MET  60 -15.788   0.431   2.461
  465    HG3  MET  60           HG1      MET  60 -14.203  -0.035   3.080
  466    HE1  MET  60           HE1      MET  60 -13.518  -2.141   3.896
  467    HE2  MET  60           HE2      MET  60 -13.940  -2.386   2.203
  468    HE3  MET  60           HE3      MET  60 -14.365  -3.611   3.396
  469    H    CYS  61           HN       CYS  61 -15.687   2.832   1.988
  470    HA   CYS  61           HA       CYS  61 -17.569   4.963   2.579
  471    HB2  CYS  61           HB2      CYS  61 -16.100   4.462   0.419
  472    HB3  CYS  61           HB1      CYS  61 -17.537   3.564  -0.070
  473    H    SER  62           HN       SER  62 -19.835   4.869   2.515
  474    HA   SER  62           HA       SER  62 -21.110   2.246   1.934
  475    HB2  SER  62           HB2      SER  62 -21.569   3.805   4.495
  476    HB3  SER  62           HB1      SER  62 -22.398   2.325   4.023
  477    HG   SER  62           HG       SER  62 -19.587   2.587   4.334
  478    H    ILE  63           HN       ILE  63 -21.489   3.961   0.080
  479    HA   ILE  63           HA       ILE  63 -23.819   5.708   0.726
  480    HB   ILE  63           HB       ILE  63 -22.267   5.571  -1.870
  481   HG12  ILE  63          HG12      ILE  63 -20.651   6.093  -0.157
  482   HG13  ILE  63          HG11      ILE  63 -21.069   7.603  -0.962
  483   HG21  ILE  63          HG21      ILE  63 -24.048   7.674  -0.602
  484   HG22  ILE  63          HG22      ILE  63 -24.430   6.693  -2.018
  485   HG23  ILE  63          HG23      ILE  63 -23.143   7.896  -2.100
  486   HD11  ILE  63          HD11      ILE  63 -22.856   7.856   0.911
  487   HD12  ILE  63          HD12      ILE  63 -21.173   8.156   1.332
  488   HD13  ILE  63          HD13      ILE  63 -21.925   6.623   1.758
  489    H    VAL  64           HN       VAL  64 -22.970   3.948  -2.261
  490    HA   VAL  64           HA       VAL  64 -25.802   3.141  -2.506
  491    HB   VAL  64           HB       VAL  64 -24.733   2.086  -4.699
  492   HG11  VAL  64          HG11      VAL  64 -25.289   4.988  -4.083
  493   HG12  VAL  64          HG12      VAL  64 -26.322   3.826  -4.915
  494   HG13  VAL  64          HG13      VAL  64 -24.883   4.458  -5.714
  495   HG21  VAL  64          HG21      VAL  64 -22.414   2.755  -3.649
  496   HG22  VAL  64          HG22      VAL  64 -22.814   4.359  -4.261
  497   HG23  VAL  64          HG23      VAL  64 -22.687   2.997  -5.374
  498    H    GLN  65           HN       GLN  65 -23.328   1.062  -3.788
  499    HA   GLN  65           HA       GLN  65 -23.271  -0.814  -1.586
  500    HB2  GLN  65           HB2      GLN  65 -25.647  -0.990  -2.690
  501    HB3  GLN  65           HB1      GLN  65 -24.787  -1.856  -3.963
  502    HG2  GLN  65           HG2      GLN  65 -23.733  -3.122  -1.852
  503    HG3  GLN  65           HG1      GLN  65 -25.268  -2.644  -1.127
  504   HE21  GLN  65          HE21      GLN  65 -27.264  -3.482  -2.126
  505   HE22  GLN  65          HE22      GLN  65 -27.217  -4.832  -3.155
  506    H    GLY  66           HN       GLY  66 -21.475   0.494  -3.536
  507    HA2  GLY  66           HA2      GLY  66 -20.073  -1.959  -4.422
  508    HA3  GLY  66           HA1      GLY  66 -20.462  -0.770  -5.666
  509    H    CYS  67           HN       CYS  67 -20.075   1.541  -3.925
  510    HA   CYS  67           HA       CYS  67 -17.266   1.950  -4.332
  511    HB2  CYS  67           HB2      CYS  67 -19.230   3.675  -4.035
  512    HB3  CYS  67           HB1      CYS  67 -18.819   3.552  -2.324
  513    H    LYS  68           HN       LYS  68 -15.554   1.859  -2.877
  514    HA   LYS  68           HA       LYS  68 -16.046   1.237  -0.046
  515    HB2  LYS  68           HB2      LYS  68 -14.705  -0.735  -1.923
  516    HB3  LYS  68           HB1      LYS  68 -14.607  -0.831  -0.165
  517    HG2  LYS  68           HG2      LYS  68 -17.174  -0.804  -0.176
  518    HG3  LYS  68           HG1      LYS  68 -17.060  -1.106  -1.910
  519    HD2  LYS  68           HD2      LYS  68 -15.301  -2.960  -0.879
  520    HD3  LYS  68           HD1      LYS  68 -16.575  -2.931   0.342
  521    HE2  LYS  68           HE2      LYS  68 -18.246  -3.162  -1.558
  522    HE3  LYS  68           HE1      LYS  68 -16.875  -3.477  -2.620
  523    HZ1  LYS  68           HZ1      LYS  68 -18.139  -5.404  -1.374
  524    HZ2  LYS  68           HZ2      LYS  68 -17.044  -5.006  -0.137
  525    HZ3  LYS  68           HZ3      LYS  68 -16.469  -5.477  -1.665
  526    H    ARG  69           HN       ARG  69 -14.813   3.440  -1.417
  527    HA   ARG  69           HA       ARG  69 -11.922   3.075  -1.358
  528    HB2  ARG  69           HB2      ARG  69 -13.793   5.378  -1.758
  529    HB3  ARG  69           HB1      ARG  69 -12.114   5.724  -1.340
  530    HG2  ARG  69           HG2      ARG  69 -12.647   3.717  -3.495
  531    HG3  ARG  69           HG1      ARG  69 -12.853   5.427  -3.877
  532    HD2  ARG  69           HD2      ARG  69 -10.589   5.927  -3.332
  533    HD3  ARG  69           HD1      ARG  69 -10.360   4.371  -2.535
  534    HE   ARG  69           HE       ARG  69 -10.015   3.381  -4.661
  535   HH11  ARG  69          HH21      ARG  69 -11.320   6.566  -4.864
  536   HH12  ARG  69          HH22      ARG  69 -11.107   6.687  -6.579
  537   HH21  ARG  69          HH11      ARG  69  -9.730   3.521  -6.900
  538   HH22  ARG  69          HH12      ARG  69 -10.207   4.964  -7.731
  539    H    THR  70           HN       THR  70 -11.251   2.436   0.709
  540    HA   THR  70           HA       THR  70 -12.260   3.510   3.152
  541    HB   THR  70           HB       THR  70  -9.742   2.827   3.850
  542    HG1  THR  70           HG1      THR  70 -10.346   1.350   1.506
  543   HG21  THR  70          HG21      THR  70 -10.618   0.566   4.267
  544   HG22  THR  70          HG22      THR  70 -11.967   0.888   3.179
  545   HG23  THR  70          HG23      THR  70 -11.813   1.795   4.682
  546    H    TYR  71           HN       TYR  71 -10.545   4.704   4.694
  547    HA   TYR  71           HA       TYR  71  -8.845   6.633   3.336
  548    HB2  TYR  71           HB2      TYR  71 -11.555   7.374   4.358
  549    HB3  TYR  71           HB1      TYR  71 -10.248   8.546   4.448
  550    HD1  TYR  71           HD1      TYR  71  -8.925   9.047   2.299
  551    HD2  TYR  71           HD2      TYR  71 -12.700   6.995   2.317
  552    HE1  TYR  71           HE1      TYR  71  -9.220   9.564  -0.108
  553    HE2  TYR  71           HE2      TYR  71 -12.993   7.513  -0.089
  554    HH   TYR  71           HH       TYR  71 -10.435   8.768  -2.023
  555    H    LEU  72           HN       LEU  72  -8.246   8.395   5.127
  556    HA   LEU  72           HA       LEU  72  -7.694   6.867   7.624
  557    HB2  LEU  72           HB2      LEU  72  -6.117   9.286   7.259
  558    HB3  LEU  72           HB1      LEU  72  -5.575   7.631   7.532
  559    HG   LEU  72           HG       LEU  72  -6.447   8.784   4.862
  560   HD11  LEU  72          HD11      LEU  72  -4.094   8.607   4.257
  561   HD12  LEU  72          HD12      LEU  72  -3.709   7.917   5.834
  562   HD13  LEU  72          HD13      LEU  72  -4.241   9.594   5.711
  563   HD21  LEU  72          HD21      LEU  72  -6.693   6.630   4.231
  564   HD22  LEU  72          HD22      LEU  72  -6.220   6.074   5.836
  565   HD23  LEU  72          HD23      LEU  72  -4.992   6.360   4.605
  566    H    SER  73           HN       SER  73  -9.568   9.407   6.419
  567    HA   SER  73           HA       SER  73 -10.254  10.212   9.159
  568    HB2  SER  73           HB2      SER  73  -8.353  11.688   8.730
  569    HB3  SER  73           HB1      SER  73  -9.061  12.195   7.199
  570    HG   SER  73           HG       SER  73  -9.557  13.700   8.796
  571    H    GLN  74           HN       GLN  74 -12.403  10.610   9.219
  572    HA   GLN  74           HA       GLN  74 -14.198  10.213   7.165
  573    HB2  GLN  74           HB2      GLN  74 -14.385  11.126   9.779
  574    HB3  GLN  74           HB1      GLN  74 -15.045  12.462   8.834
  575    HG2  GLN  74           HG2      GLN  74 -16.893  11.020   9.282
  576    HG3  GLN  74           HG1      GLN  74 -16.448  10.713   7.603
  577   HE21  GLN  74          HE21      GLN  74 -15.282   8.688   7.128
  578   HE22  GLN  74          HE22      GLN  74 -15.304   7.397   8.231
  579    H    ARG  75           HN       ARG  75 -12.226  13.035   7.714
  580    HA   ARG  75           HA       ARG  75 -13.635  14.887   6.069
  581    HB2  ARG  75           HB2      ARG  75 -11.880  15.610   7.599
  582    HB3  ARG  75           HB1      ARG  75 -10.682  14.668   6.709
  583    HG2  ARG  75           HG2      ARG  75 -12.202  16.490   4.988
  584    HG3  ARG  75           HG1      ARG  75 -11.293  17.328   6.244
  585    HD2  ARG  75           HD2      ARG  75  -9.241  16.162   5.570
  586    HD3  ARG  75           HD1      ARG  75 -10.138  15.267   4.342
  587    HE   ARG  75           HE       ARG  75 -10.436  18.129   4.001
  588   HH11  ARG  75          HH21      ARG  75  -8.378  15.402   3.533
  589   HH12  ARG  75          HH22      ARG  75  -7.558  16.087   2.170
  590   HH21  ARG  75          HH11      ARG  75  -9.377  19.039   2.224
  591   HH22  ARG  75          HH12      ARG  75  -8.123  18.146   1.428
  592    H    ASP  76           HN       ASP  76 -11.250  12.391   5.276
  593    HA   ASP  76           HA       ASP  76 -11.071  13.309   2.495
  594    HB2  ASP  76           HB2      ASP  76  -9.214  12.119   3.849
  595    HB3  ASP  76           HB1      ASP  76 -10.116  10.645   3.516
  596    H    LEU  77           HN       LEU  77 -12.685  10.810   4.348
  597    HA   LEU  77           HA       LEU  77 -13.807   9.455   2.049
  598    HB2  LEU  77           HB2      LEU  77 -13.643   8.194   4.081
  599    HB3  LEU  77           HB1      LEU  77 -14.422   9.460   5.009
  600    HG   LEU  77           HG       LEU  77 -16.035   8.436   2.760
  601   HD11  LEU  77          HD11      LEU  77 -15.126   6.315   3.323
  602   HD12  LEU  77          HD12      LEU  77 -16.660   6.403   4.190
  603   HD13  LEU  77          HD13      LEU  77 -15.145   6.680   5.047
  604   HD21  LEU  77          HD21      LEU  77 -17.797   8.733   4.320
  605   HD22  LEU  77          HD22      LEU  77 -16.668  10.026   4.719
  606   HD23  LEU  77          HD23      LEU  77 -16.717   8.564   5.702
  607    H    GLN  78           HN       GLN  78 -14.667  12.100   4.185
  608    HA   GLN  78           HA       GLN  78 -17.379  12.304   3.228
  609    HB2  GLN  78           HB2      GLN  78 -16.620  13.383   5.357
  610    HB3  GLN  78           HB1      GLN  78 -15.644  14.497   4.399
  611    HG2  GLN  78           HG2      GLN  78 -17.748  15.583   4.937
  612    HG3  GLN  78           HG1      GLN  78 -17.742  15.213   3.214
  613   HE21  GLN  78          HE21      GLN  78 -19.122  13.418   2.466
  614   HE22  GLN  78          HE22      GLN  78 -20.368  12.815   3.447
  615    H    ALA  79           HN       ALA  79 -14.252  13.505   2.329
  616    HA   ALA  79           HA       ALA  79 -15.216  15.265   0.247
  617    HB1  ALA  79           HB1      ALA  79 -13.050  15.884   0.299
  618    HB2  ALA  79           HB2      ALA  79 -12.604  14.317  -0.376
  619    HB3  ALA  79           HB3      ALA  79 -12.687  14.535   1.369
  620    H    HIS  80           HN       HIS  80 -14.779  11.847   0.596
  621    HA   HIS  80           HA       HIS  80 -14.478  11.348  -2.260
  622    HB2  HIS  80           HB2      HIS  80 -13.686   9.662  -0.710
  623    HB3  HIS  80           HB1      HIS  80 -15.286   9.518   0.012
  624    HD1  HIS  80           HD1      HIS  80 -13.392   8.704  -3.146
  625    HD2  HIS  80           HD2      HIS  80 -17.114   7.954  -1.431
  626    HE1  HIS  80           HE1      HIS  80 -14.500   6.938  -4.585
  627    H    ILE  81           HN       ILE  81 -17.160  11.252   0.026
  628    HA   ILE  81           HA       ILE  81 -19.197  10.392  -1.732
  629    HB   ILE  81           HB       ILE  81 -19.784  12.508   0.283
  630   HG12  ILE  81          HG12      ILE  81 -18.170  11.232   1.440
  631   HG13  ILE  81          HG11      ILE  81 -19.732  10.710   2.046
  632   HG21  ILE  81          HG21      ILE  81 -21.098   9.884  -0.458
  633   HG22  ILE  81          HG22      ILE  81 -21.620  11.488  -0.970
  634   HG23  ILE  81          HG23      ILE  81 -21.716  11.031   0.731
  635   HD11  ILE  81          HD11      ILE  81 -17.733   9.232   0.413
  636   HD12  ILE  81          HD12      ILE  81 -19.428   8.945   0.028
  637   HD13  ILE  81          HD13      ILE  81 -18.830   8.634   1.654
  638    H    ASN  82           HN       ASN  82 -18.237  13.730  -0.921
  639    HA   ASN  82           HA       ASN  82 -20.104  14.784  -2.880
  640    HB2  ASN  82           HB2      ASN  82 -18.777  16.935  -2.503
  641    HB3  ASN  82           HB1      ASN  82 -19.593  16.252  -1.098
  642   HD21  ASN  82          HD21      ASN  82 -18.175  16.820   0.581
  643   HD22  ASN  82          HD22      ASN  82 -16.536  16.389   0.622
  644    H    HIS  83           HN       HIS  83 -16.904  13.518  -3.042
  645    HA   HIS  83           HA       HIS  83 -16.310  15.010  -5.496
  646    HB2  HIS  83           HB2      HIS  83 -14.806  12.882  -3.991
  647    HB3  HIS  83           HB1      HIS  83 -14.269  13.481  -5.555
  648    HD1  HIS  83           HD1      HIS  83 -12.200  14.285  -3.843
  649    HD2  HIS  83           HD2      HIS  83 -15.787  16.410  -3.705
  650    HE1  HIS  83           HE1      HIS  83 -11.673  16.513  -2.756
  651    HE2  HIS  83           HE2      HIS  83 -13.848  17.814  -2.668
  652    H    ARG  84           HN       ARG  84 -17.700  11.871  -4.712
  653    HA   ARG  84           HA       ARG  84 -17.716  11.307  -7.646
  654    HB2  ARG  84           HB2      ARG  84 -17.631   9.052  -5.684
  655    HB3  ARG  84           HB1      ARG  84 -17.117   9.080  -7.361
  656    HG2  ARG  84           HG2      ARG  84 -15.708  10.603  -5.135
  657    HG3  ARG  84           HG1      ARG  84 -15.213   9.023  -5.722
  658    HD2  ARG  84           HD2      ARG  84 -15.520  10.598  -8.038
  659    HD3  ARG  84           HD1      ARG  84 -14.687  11.622  -6.874
  660    HE   ARG  84           HE       ARG  84 -13.422   9.097  -6.799
  661   HH11  ARG  84          HH21      ARG  84 -14.036  11.701  -8.972
  662   HH12  ARG  84          HH22      ARG  84 -12.583  11.459  -9.882
  663   HH21  ARG  84          HH11      ARG  84 -11.520   8.767  -7.973
  664   HH22  ARG  84          HH12      ARG  84 -11.158   9.799  -9.317
  665    H    HIS  85           HN       HIS  85 -19.532  11.188  -4.656
  666    HA   HIS  85           HA       HIS  85 -21.805   9.926  -6.094
  667    HB2  HIS  85           HB2      HIS  85 -21.644  10.655  -3.164
  668    HB3  HIS  85           HB1      HIS  85 -22.791   9.559  -3.937
  669    HD1  HIS  85           HD1      HIS  85 -22.194   7.182  -3.528
  670    HD2  HIS  85           HD2      HIS  85 -18.796   9.580  -3.802
  671    HE1  HIS  85           HE1      HIS  85 -20.206   5.642  -3.219
  672    H    MET  86           HN       MET  86 -21.059  12.728  -4.076
  673    HA   MET  86           HA       MET  86 -22.252  14.742  -3.777
  674    HB2  MET  86           HB2      MET  86 -21.019  14.612  -6.172
  675    HB3  MET  86           HB1      MET  86 -22.682  14.859  -6.710
  676    HG2  MET  86           HG2      MET  86 -22.737  16.742  -4.909
  677    HG3  MET  86           HG1      MET  86 -20.977  16.638  -4.980
  678    HE1  MET  86           HE1      MET  86 -23.267  19.123  -5.991
  679    HE2  MET  86           HE2      MET  86 -21.977  19.854  -6.943
  680    HE3  MET  86           HE3      MET  86 -21.613  19.156  -5.367
  681    H    ARG  87           HN       ARG  87 -23.944  12.363  -3.691
  682    HA   ARG  87           HA       ARG  87 -26.404  13.187  -5.099
  683    HB2  ARG  87           HB2      ARG  87 -25.490  10.735  -4.715
  684    HB3  ARG  87           HB1      ARG  87 -26.306  10.904  -3.160
  685    HG2  ARG  87           HG2      ARG  87 -28.355  11.679  -4.494
  686    HG3  ARG  87           HG1      ARG  87 -27.516  11.077  -5.924
  687    HD2  ARG  87           HD2      ARG  87 -29.023   9.355  -4.997
  688    HD3  ARG  87           HD1      ARG  87 -27.337   8.846  -4.883
  689    HE   ARG  87           HE       ARG  87 -28.101  10.187  -2.464
  690   HH11  ARG  87          HH21      ARG  87 -28.550   7.300  -4.294
  691   HH12  ARG  87          HH22      ARG  87 -28.860   6.310  -2.907
  692   HH21  ARG  87          HH11      ARG  87 -28.503   8.911  -0.641
  693   HH22  ARG  87          HH12      ARG  87 -28.833   7.222  -0.839
  694    H    ALA  88           HN       ALA  88 -24.892  14.022  -2.277
  695    HA   ALA  88           HA       ALA  88 -26.757  13.905  -0.215
  696    HB1  ALA  88           HB1      ALA  88 -25.073  16.323  -0.942
  697    HB2  ALA  88           HB2      ALA  88 -24.506  14.937  -0.009
  698    HB3  ALA  88           HB3      ALA  88 -25.769  15.982   0.643
  699    H    GLY  89           HN       GLY  89 -26.518  16.615  -2.555
  700    HA2  GLY  89           HA2      GLY  89 -29.426  16.752  -2.778
  701    HA3  GLY  89           HA1      GLY  89 -28.737  18.093  -1.862
  Start of MODEL    9
    1    H1   VAL   1           HT1      VAL   1 -12.166  -3.155   4.246
    2    H2   VAL   1           HT2      VAL   1 -11.404  -3.812   2.877
    3    H3   VAL   1           HT3      VAL   1 -10.934  -4.306   4.433
    4    HA   VAL   1           HA       VAL   1 -13.684  -4.741   4.204
    5    HB   VAL   1           HB       VAL   1 -13.564  -4.810   1.845
    6   HG11  VAL   1          HG11      VAL   1 -10.820  -5.693   2.379
    7   HG12  VAL   1          HG12      VAL   1 -11.468  -4.811   0.996
    8   HG13  VAL   1          HG13      VAL   1 -11.588  -6.569   1.055
    9   HG21  VAL   1          HG21      VAL   1 -14.016  -7.086   1.287
   10   HG22  VAL   1          HG22      VAL   1 -14.527  -6.888   2.959
   11   HG23  VAL   1          HG23      VAL   1 -12.995  -7.685   2.591
   12    H    HIS   2           HN       HIS   2 -14.050  -7.118   4.611
   13    HA   HIS   2           HA       HIS   2 -11.919  -8.111   6.397
   14    HB2  HIS   2           HB2      HIS   2 -14.351  -9.735   6.108
   15    HB3  HIS   2           HB1      HIS   2 -13.586  -9.109   7.568
   16    HD1  HIS   2           HD1      HIS   2 -14.001  -6.432   7.987
   17    HD2  HIS   2           HD2      HIS   2 -16.631  -8.337   5.369
   18    HE1  HIS   2           HE1      HIS   2 -16.021  -4.916   7.769
   19    HE2  HIS   2           HE2      HIS   2 -17.627  -6.066   6.177
   20    H    PHE   3           HN       PHE   3 -14.025  -9.522   3.894
   21    HA   PHE   3           HA       PHE   3 -12.176 -11.742   3.480
   22    HB2  PHE   3           HB2      PHE   3 -14.625 -10.939   1.893
   23    HB3  PHE   3           HB1      PHE   3 -13.786 -12.487   1.798
   24    HD1  PHE   3           HD2      PHE   3 -13.744 -14.012   3.787
   25    HD2  PHE   3           HD1      PHE   3 -16.154 -10.459   3.676
   26    HE1  PHE   3           HE2      PHE   3 -15.078 -14.858   5.698
   27    HE2  PHE   3           HE1      PHE   3 -17.489 -11.304   5.588
   28    HZ   PHE   3           HZ       PHE   3 -16.951 -13.504   6.599
   29    H    CYS   4           HN       CYS   4 -10.394 -11.582   2.205
   30    HA   CYS   4           HA       CYS   4  -9.528  -9.407   0.742
   31    HB2  CYS   4           HB2      CYS   4  -8.617 -11.947   1.099
   32    HB3  CYS   4           HB1      CYS   4  -9.055 -11.993  -0.602
   33    H    ASP   5           HN       ASP   5  -9.750  -8.681  -1.392
   34    HA   ASP   5           HA       ASP   5 -12.258  -9.418  -2.711
   35    HB2  ASP   5           HB2      ASP   5 -10.537  -7.147  -2.691
   36    HB3  ASP   5           HB1      ASP   5 -10.600  -7.745  -4.350
   37    H    LYS   6           HN       LYS   6  -8.863 -10.172  -2.924
   38    HA   LYS   6           HA       LYS   6  -9.236 -11.418  -5.594
   39    HB2  LYS   6           HB2      LYS   6  -7.210  -9.981  -5.030
   40    HB3  LYS   6           HB1      LYS   6  -6.690 -11.303  -3.984
   41    HG2  LYS   6           HG2      LYS   6  -7.336 -12.623  -6.318
   42    HG3  LYS   6           HG1      LYS   6  -6.659 -11.113  -6.923
   43    HD2  LYS   6           HD2      LYS   6  -4.763 -12.481  -6.709
   44    HD3  LYS   6           HD1      LYS   6  -4.740 -11.561  -5.207
   45    HE2  LYS   6           HE2      LYS   6  -6.271 -13.607  -4.395
   46    HE3  LYS   6           HE1      LYS   6  -5.368 -14.440  -5.659
   47    HZ1  LYS   6           HZ1      LYS   6  -4.145 -14.654  -3.662
   48    HZ2  LYS   6           HZ2      LYS   6  -4.280 -12.999  -3.308
   49    HZ3  LYS   6           HZ3      LYS   6  -3.317 -13.516  -4.609
   50    H    CYS   7           HN       CYS   7  -8.009 -12.325  -2.367
   51    HA   CYS   7           HA       CYS   7  -8.099 -15.157  -3.120
   52    HB2  CYS   7           HB2      CYS   7  -7.595 -14.243  -0.316
   53    HB3  CYS   7           HB1      CYS   7  -6.855 -15.571  -1.210
   54    H    GLY   8           HN       GLY   8 -10.234 -12.918  -1.576
   55    HA2  GLY   8           HA2      GLY   8 -12.398 -13.279  -0.729
   56    HA3  GLY   8           HA1      GLY   8 -12.284 -14.932  -1.331
   57    H    LEU   9           HN       LEU   9  -9.585 -14.553   0.499
   58    HA   LEU   9           HA       LEU   9 -10.736 -16.072   2.725
   59    HB2  LEU   9           HB2      LEU   9  -8.037 -15.392   1.729
   60    HB3  LEU   9           HB1      LEU   9  -8.163 -15.489   3.485
   61    HG   LEU   9           HG       LEU   9  -9.186 -17.735   3.284
   62   HD11  LEU   9          HD11      LEU   9 -10.286 -17.820   1.229
   63   HD12  LEU   9          HD12      LEU   9  -8.829 -18.752   0.880
   64   HD13  LEU   9          HD13      LEU   9  -8.943 -17.069   0.367
   65   HD21  LEU   9          HD21      LEU   9  -6.482 -17.001   2.502
   66   HD22  LEU   9          HD22      LEU   9  -6.970 -18.523   1.756
   67   HD23  LEU   9          HD23      LEU   9  -7.025 -18.344   3.509
   68    HA   PRO  10           HA       PRO  10 -11.418 -12.655   5.415
   69    HB2  PRO  10           HB2      PRO  10 -10.677 -13.616   7.854
   70    HB3  PRO  10           HB1      PRO  10 -12.189 -14.039   7.031
   71    HG2  PRO  10           HG2      PRO  10  -9.670 -15.594   7.273
   72    HG3  PRO  10           HG1      PRO  10 -11.349 -16.158   7.249
   73    HD2  PRO  10           HD2      PRO  10  -9.655 -16.315   5.080
   74    HD3  PRO  10           HD1      PRO  10 -11.426 -16.242   4.948
   75    H    ILE  11           HN       ILE  11 -10.047 -11.054   4.925
   76    HA   ILE  11           HA       ILE  11  -7.272 -10.867   5.128
   77    HB   ILE  11           HB       ILE  11  -9.354  -8.711   5.616
   78   HG12  ILE  11          HG12      ILE  11  -7.809  -9.299   3.087
   79   HG13  ILE  11          HG11      ILE  11  -9.378 -10.031   3.412
   80   HG21  ILE  11          HG21      ILE  11  -7.038  -7.655   4.412
   81   HG22  ILE  11          HG22      ILE  11  -6.471  -8.662   5.741
   82   HG23  ILE  11          HG23      ILE  11  -7.615  -7.360   6.050
   83   HD11  ILE  11          HD11      ILE  11  -9.228  -7.110   3.854
   84   HD12  ILE  11          HD12      ILE  11 -10.503  -8.069   3.102
   85   HD13  ILE  11          HD13      ILE  11  -9.068  -7.624   2.176
   86    H    LYS  12           HN       LYS  12  -5.904 -10.939   6.808
   87    HA   LYS  12           HA       LYS  12  -6.966 -10.700   9.566
   88    HB2  LYS  12           HB2      LYS  12  -4.187 -11.428   8.574
   89    HB3  LYS  12           HB1      LYS  12  -4.742 -11.524  10.245
   90    HG2  LYS  12           HG2      LYS  12  -6.482 -13.152   9.557
   91    HG3  LYS  12           HG1      LYS  12  -5.870 -13.087   7.903
   92    HD2  LYS  12           HD2      LYS  12  -3.672 -13.559   9.692
   93    HD3  LYS  12           HD1      LYS  12  -4.947 -14.729  10.031
   94    HE2  LYS  12           HE2      LYS  12  -3.859 -14.140   7.264
   95    HE3  LYS  12           HE1      LYS  12  -3.363 -15.507   8.260
   96    HZ1  LYS  12           HZ1      LYS  12  -5.140 -16.621   7.597
   97    HZ2  LYS  12           HZ2      LYS  12  -5.571 -15.333   6.577
   98    HZ3  LYS  12           HZ3      LYS  12  -6.170 -15.399   8.164
   99    H    VAL  13           HN       VAL  13  -4.962  -9.064   7.224
  100    HA   VAL  13           HA       VAL  13  -4.836  -6.701   9.018
  101    HB   VAL  13           HB       VAL  13  -2.507  -7.287   7.268
  102   HG11  VAL  13          HG11      VAL  13  -2.786  -6.057  10.024
  103   HG12  VAL  13          HG12      VAL  13  -2.717  -5.154   8.510
  104   HG13  VAL  13          HG13      VAL  13  -1.316  -6.079   9.049
  105   HG21  VAL  13          HG21      VAL  13  -2.691  -9.410   8.380
  106   HG22  VAL  13          HG22      VAL  13  -3.066  -8.636   9.919
  107   HG23  VAL  13          HG23      VAL  13  -1.445  -8.503   9.236
  108    H    TYR  14           HN       TYR  14  -5.054  -4.747   7.818
  109    HA   TYR  14           HA       TYR  14  -6.141  -5.135   5.140
  110    HB2  TYR  14           HB2      TYR  14  -5.854  -2.827   7.000
  111    HB3  TYR  14           HB1      TYR  14  -6.098  -2.502   5.288
  112    HD1  TYR  14           HD1      TYR  14  -7.432  -5.385   7.255
  113    HD2  TYR  14           HD2      TYR  14  -8.317  -1.710   5.237
  114    HE1  TYR  14           HE1      TYR  14  -9.853  -5.841   7.495
  115    HE2  TYR  14           HE2      TYR  14 -10.744  -2.155   5.479
  116    HH   TYR  14           HH       TYR  14 -12.271  -3.777   5.961
  117    H    GLY  15           HN       GLY  15  -4.650  -5.594   3.621
  118    HA2  GLY  15           HA2      GLY  15  -2.029  -4.326   3.553
  119    HA3  GLY  15           HA1      GLY  15  -2.700  -5.379   2.299
  120    H    ARG  16           HN       ARG  16  -2.794  -2.150   3.628
  121    HA   ARG  16           HA       ARG  16  -4.589  -1.008   1.710
  122    HB2  ARG  16           HB2      ARG  16  -4.052   0.117   3.822
  123    HB3  ARG  16           HB1      ARG  16  -2.379   0.315   3.307
  124    HG2  ARG  16           HG2      ARG  16  -2.875   2.092   1.997
  125    HG3  ARG  16           HG1      ARG  16  -4.313   1.308   1.340
  126    HD2  ARG  16           HD2      ARG  16  -5.575   1.869   3.364
  127    HD3  ARG  16           HD1      ARG  16  -4.138   2.601   4.077
  128    HE   ARG  16           HE       ARG  16  -5.881   3.845   2.129
  129   HH11  ARG  16          HH21      ARG  16  -2.630   3.502   3.226
  130   HH12  ARG  16          HH22      ARG  16  -2.134   5.067   2.671
  131   HH21  ARG  16          HH11      ARG  16  -5.252   5.899   1.408
  132   HH22  ARG  16          HH12      ARG  16  -3.619   6.422   1.641
  133    H    MET  17           HN       MET  17  -4.284  -0.363  -0.333
  134    HA   MET  17           HA       MET  17  -1.493  -0.379  -1.422
  135    HB2  MET  17           HB2      MET  17  -4.034  -0.834  -2.982
  136    HB3  MET  17           HB1      MET  17  -2.377  -1.179  -3.470
  137    HG2  MET  17           HG2      MET  17  -2.365  -2.697  -1.329
  138    HG3  MET  17           HG1      MET  17  -4.114  -2.638  -1.522
  139    HE1  MET  17           HE1      MET  17  -0.967  -4.275  -4.388
  140    HE2  MET  17           HE2      MET  17  -0.903  -4.545  -2.652
  141    HE3  MET  17           HE3      MET  17  -0.838  -2.903  -3.281
  142    H    ILE  18           HN       ILE  18  -0.813   1.473  -2.364
  143    HA   ILE  18           HA       ILE  18  -2.821   3.603  -2.945
  144    HB   ILE  18           HB       ILE  18  -0.490   4.973  -2.723
  145   HG12  ILE  18          HG12      ILE  18  -0.290   2.741  -0.695
  146   HG13  ILE  18          HG11      ILE  18   0.705   2.888  -2.144
  147   HG21  ILE  18          HG21      ILE  18  -2.616   5.445  -1.517
  148   HG22  ILE  18          HG22      ILE  18  -1.227   5.557  -0.437
  149   HG23  ILE  18          HG23      ILE  18  -2.259   4.127  -0.401
  150   HD11  ILE  18          HD11      ILE  18   1.137   4.117   0.378
  151   HD12  ILE  18          HD12      ILE  18   0.719   5.399  -0.760
  152   HD13  ILE  18          HD13      ILE  18   2.078   4.327  -1.099
  153    HA   PRO  19           HA       PRO  19  -2.412   5.707  -3.831
  154    HB2  PRO  19           HB2      PRO  19  -3.265   6.978  -6.060
  155    HB3  PRO  19           HB1      PRO  19  -1.592   7.111  -5.486
  156    HG2  PRO  19           HG2      PRO  19  -2.704   5.508  -7.721
  157    HG3  PRO  19           HG1      PRO  19  -1.143   6.334  -7.585
  158    HD2  PRO  19           HD2      PRO  19  -1.551   3.594  -7.201
  159    HD3  PRO  19           HD1      PRO  19  -0.136   4.508  -6.642
  160    H    CYS  20           HN       CYS  20  -3.460   3.030  -5.441
  161    HA   CYS  20           HA       CYS  20  -6.132   3.539  -6.198
  162    HB2  CYS  20           HB2      CYS  20  -4.481   1.285  -5.910
  163    HB3  CYS  20           HB1      CYS  20  -5.860   0.978  -4.855
  164    H    LYS  21           HN       LYS  21  -4.728   2.893  -3.025
  165    HA   LYS  21           HA       LYS  21  -5.600   3.359  -0.895
  166    HB2  LYS  21           HB2      LYS  21  -6.879   5.202  -2.457
  167    HB3  LYS  21           HB1      LYS  21  -8.251   4.243  -1.900
  168    HG2  LYS  21           HG2      LYS  21  -7.587   4.582   0.429
  169    HG3  LYS  21           HG1      LYS  21  -6.143   5.456  -0.085
  170    HD2  LYS  21           HD2      LYS  21  -8.778   6.420  -1.105
  171    HD3  LYS  21           HD1      LYS  21  -8.379   6.749   0.581
  172    HE2  LYS  21           HE2      LYS  21  -6.560   8.089   0.034
  173    HE3  LYS  21           HE1      LYS  21  -6.314   7.297  -1.522
  174    HZ1  LYS  21           HZ1      LYS  21  -8.827   8.381  -1.660
  175    HZ2  LYS  21           HZ2      LYS  21  -7.426   8.979  -2.409
  176    HZ3  LYS  21           HZ3      LYS  21  -7.901   9.574  -0.891
  177    H    HIS  22           HN       HIS  22  -6.034   0.944  -2.601
  178    HA   HIS  22           HA       HIS  22  -8.631  -0.058  -1.580
  179    HB2  HIS  22           HB2      HIS  22  -6.635  -1.075  -3.595
  180    HB3  HIS  22           HB1      HIS  22  -7.885  -2.138  -2.943
  181    HD2  HIS  22           HD2      HIS  22 -10.619  -0.918  -3.306
  182    HE1  HIS  22           HE1      HIS  22  -9.383   1.164  -6.766
  183    HE2  HIS  22           HE2      HIS  22 -11.392   0.411  -5.413
  184    H    VAL  23           HN       VAL  23  -8.328  -2.608  -0.924
  185    HA   VAL  23           HA       VAL  23  -5.914  -2.881   0.758
  186    HB   VAL  23           HB       VAL  23  -7.005  -3.065   2.801
  187   HG11  VAL  23          HG11      VAL  23  -8.464  -1.108   2.998
  188   HG12  VAL  23          HG12      VAL  23  -8.690  -1.073   1.254
  189   HG13  VAL  23          HG13      VAL  23  -7.103  -0.741   1.947
  190   HG21  VAL  23          HG21      VAL  23  -9.414  -3.691   1.110
  191   HG22  VAL  23          HG22      VAL  23  -9.614  -3.183   2.786
  192   HG23  VAL  23          HG23      VAL  23  -8.698  -4.641   2.410
  193    H    PHE  24           HN       PHE  24  -5.467  -5.012   1.417
  194    HA   PHE  24           HA       PHE  24  -7.263  -7.219   0.706
  195    HB2  PHE  24           HB2      PHE  24  -4.562  -7.096  -0.664
  196    HB3  PHE  24           HB1      PHE  24  -5.841  -8.283  -0.919
  197    HD1  PHE  24           HD2      PHE  24  -4.757  -4.836  -1.530
  198    HD2  PHE  24           HD1      PHE  24  -7.821  -7.746  -2.235
  199    HE1  PHE  24           HE2      PHE  24  -5.719  -3.384  -3.293
  200    HE2  PHE  24           HE1      PHE  24  -8.787  -6.305  -4.004
  201    HZ   PHE  24           HZ       PHE  24  -7.736  -4.120  -4.543
  202    H    CYS  25           HN       CYS  25  -6.088  -9.382   1.348
  203    HA   CYS  25           HA       CYS  25  -5.041  -9.091   3.968
  204    HB2  CYS  25           HB2      CYS  25  -4.043 -11.359   2.280
  205    HB3  CYS  25           HB1      CYS  25  -4.564 -11.370   3.961
  206    H    TYR  26           HN       TYR  26  -3.237  -8.015   4.534
  207    HA   TYR  26           HA       TYR  26  -1.255  -7.099   2.788
  208    HB2  TYR  26           HB2      TYR  26  -1.578  -6.331   5.145
  209    HB3  TYR  26           HB1      TYR  26  -0.862  -7.841   5.697
  210    HD1  TYR  26           HD1      TYR  26   0.008  -5.241   3.077
  211    HD2  TYR  26           HD2      TYR  26   1.329  -7.618   6.409
  212    HE1  TYR  26           HE1      TYR  26   2.261  -4.256   2.888
  213    HE2  TYR  26           HE2      TYR  26   3.588  -6.629   6.209
  214    HH   TYR  26           HH       TYR  26   4.274  -4.073   3.836
  215    H    ASP  27           HN       ASP  27  -1.838 -10.300   3.727
  216    HA   ASP  27           HA       ASP  27   0.913 -11.228   3.510
  217    HB2  ASP  27           HB2      ASP  27  -1.624 -12.357   4.235
  218    HB3  ASP  27           HB1      ASP  27  -0.904 -13.352   2.968
  219    H    CYS  28           HN       CYS  28  -1.944 -11.299   1.388
  220    HA   CYS  28           HA       CYS  28  -0.361 -12.380  -0.812
  221    HB2  CYS  28           HB2      CYS  28  -2.978 -11.031  -1.326
  222    HB3  CYS  28           HB1      CYS  28  -2.354 -12.544  -1.980
  223    H    ALA  29           HN       ALA  29  -1.154  -9.272   0.460
  224    HA   ALA  29           HA       ALA  29  -0.681  -7.744  -1.921
  225    HB1  ALA  29           HB1      ALA  29  -1.753  -7.117   0.442
  226    HB2  ALA  29           HB2      ALA  29  -0.949  -5.890  -0.533
  227    HB3  ALA  29           HB3      ALA  29  -0.093  -6.653   0.807
  228    H    ILE  30           HN       ILE  30   1.377  -8.959   0.710
  229    HA   ILE  30           HA       ILE  30   3.710  -7.577  -0.361
  230    HB   ILE  30           HB       ILE  30   4.952  -8.703   1.388
  231   HG12  ILE  30          HG12      ILE  30   2.435 -10.217   2.086
  232   HG13  ILE  30          HG11      ILE  30   3.747 -10.941   1.167
  233   HG21  ILE  30          HG21      ILE  30   2.958  -8.244   3.244
  234   HG22  ILE  30          HG22      ILE  30   2.457  -7.266   1.869
  235   HG23  ILE  30          HG23      ILE  30   4.048  -7.030   2.584
  236   HD11  ILE  30          HD11      ILE  30   5.303 -10.340   3.043
  237   HD12  ILE  30          HD12      ILE  30   4.069 -11.519   3.487
  238   HD13  ILE  30          HD13      ILE  30   3.894  -9.833   3.976
  239    H    LEU  31           HN       LEU  31   2.263 -10.787  -0.573
  240    HA   LEU  31           HA       LEU  31   4.549 -12.009  -1.865
  241    HB2  LEU  31           HB2      LEU  31   1.602 -12.699  -1.950
  242    HB3  LEU  31           HB1      LEU  31   2.838 -13.670  -2.736
  243    HG   LEU  31           HG       LEU  31   3.106 -12.965   0.179
  244   HD11  LEU  31          HD11      LEU  31   1.170 -14.831  -1.083
  245   HD12  LEU  31          HD12      LEU  31   1.092 -14.015   0.478
  246   HD13  LEU  31          HD13      LEU  31   2.076 -15.465   0.291
  247   HD21  LEU  31          HD21      LEU  31   4.766 -14.528   0.162
  248   HD22  LEU  31          HD22      LEU  31   4.750 -14.294  -1.584
  249   HD23  LEU  31          HD23      LEU  31   3.849 -15.626  -0.865
  250    H    HIS  32           HN       HIS  32   2.033  -9.855  -2.905
  251    HA   HIS  32           HA       HIS  32   2.483 -10.385  -5.757
  252    HB2  HIS  32           HB2      HIS  32   0.654  -8.727  -4.133
  253    HB3  HIS  32           HB1      HIS  32   1.149  -7.993  -5.658
  254    HD1  HIS  32           HD1      HIS  32   0.076  -8.877  -7.763
  255    HD2  HIS  32           HD2      HIS  32  -0.572 -11.389  -4.496
  256    HE1  HIS  32           HE1      HIS  32  -1.548 -10.661  -8.540
  257    HE2  HIS  32           HE2      HIS  32  -1.949 -12.194  -6.560
  258    H    GLU  33           HN       GLU  33   3.458  -8.072  -3.294
  259    HA   GLU  33           HA       GLU  33   4.864  -6.348  -5.184
  260    HB2  GLU  33           HB2      GLU  33   4.533  -4.981  -3.413
  261    HB3  GLU  33           HB1      GLU  33   4.167  -6.341  -2.360
  262    HG2  GLU  33           HG2      GLU  33   6.523  -6.700  -1.901
  263    HG3  GLU  33           HG1      GLU  33   6.982  -5.473  -3.090
  264    H    LYS  34           HN       LYS  34   5.608  -9.163  -3.243
  265    HA   LYS  34           HA       LYS  34   8.502  -8.830  -3.540
  266    HB2  LYS  34           HB2      LYS  34   6.743 -11.018  -2.419
  267    HB3  LYS  34           HB1      LYS  34   8.490 -11.210  -2.578
  268    HG2  LYS  34           HG2      LYS  34   8.894  -9.300  -1.145
  269    HG3  LYS  34           HG1      LYS  34   7.173  -8.913  -1.103
  270    HD2  LYS  34           HD2      LYS  34   6.664 -10.703   0.294
  271    HD3  LYS  34           HD1      LYS  34   8.072 -11.634  -0.219
  272    HE2  LYS  34           HE2      LYS  34   8.155 -10.585   2.136
  273    HE3  LYS  34           HE1      LYS  34   9.554 -10.332   1.093
  274    HZ1  LYS  34           HZ1      LYS  34   9.224  -8.185   1.547
  275    HZ2  LYS  34           HZ2      LYS  34   7.632  -8.429   2.088
  276    HZ3  LYS  34           HZ3      LYS  34   7.953  -8.272   0.428
  277    H    LYS  35           HN       LYS  35   5.898 -10.672  -5.043
  278    HA   LYS  35           HA       LYS  35   7.670 -12.275  -6.677
  279    HB2  LYS  35           HB2      LYS  35   4.716 -11.647  -6.932
  280    HB3  LYS  35           HB1      LYS  35   5.571 -12.817  -7.938
  281    HG2  LYS  35           HG2      LYS  35   5.847 -13.058  -4.971
  282    HG3  LYS  35           HG1      LYS  35   4.326 -13.570  -5.705
  283    HD2  LYS  35           HD2      LYS  35   5.550 -15.056  -7.235
  284    HD3  LYS  35           HD1      LYS  35   7.081 -14.531  -6.533
  285    HE2  LYS  35           HE2      LYS  35   5.083 -15.483  -4.574
  286    HE3  LYS  35           HE1      LYS  35   5.684 -16.719  -5.680
  287    HZ1  LYS  35           HZ1      LYS  35   7.614 -16.757  -4.620
  288    HZ2  LYS  35           HZ2      LYS  35   6.954 -15.725  -3.443
  289    HZ3  LYS  35           HZ3      LYS  35   7.804 -15.077  -4.763
  290    H    GLY  36           HN       GLY  36   6.774  -9.027  -6.755
  291    HA2  GLY  36           HA2      GLY  36   7.568  -7.408  -8.312
  292    HA3  GLY  36           HA1      GLY  36   7.991  -8.715  -9.417
  293    H    ASP  37           HN       ASP  37   4.824  -8.384  -7.902
  294    HA   ASP  37           HA       ASP  37   3.566  -8.430 -10.537
  295    HB2  ASP  37           HB2      ASP  37   2.279  -8.049  -7.820
  296    HB3  ASP  37           HB1      ASP  37   1.466  -8.511  -9.316
  297    H    LYS  38           HN       LYS  38   3.838  -6.088  -7.870
  298    HA   LYS  38           HA       LYS  38   3.329  -3.802  -7.807
  299    HB2  LYS  38           HB2      LYS  38   4.502  -4.132 -10.568
  300    HB3  LYS  38           HB1      LYS  38   4.269  -2.578  -9.760
  301    HG2  LYS  38           HG2      LYS  38   5.750  -3.130  -8.010
  302    HG3  LYS  38           HG1      LYS  38   5.747  -4.839  -8.434
  303    HD2  LYS  38           HD2      LYS  38   6.872  -2.640 -10.204
  304    HD3  LYS  38           HD1      LYS  38   7.848  -3.653  -9.143
  305    HE2  LYS  38           HE2      LYS  38   6.480  -5.576 -10.483
  306    HE3  LYS  38           HE1      LYS  38   6.535  -4.323 -11.721
  307    HZ1  LYS  38           HZ1      LYS  38   8.684  -4.686 -12.049
  308    HZ2  LYS  38           HZ2      LYS  38   8.543  -6.072 -11.075
  309    HZ3  LYS  38           HZ3      LYS  38   9.038  -4.597 -10.392
  310    H    MET  39           HN       MET  39   1.145  -5.285  -8.300
  311    HA   MET  39           HA       MET  39  -0.468  -3.433  -9.943
  312    HB2  MET  39           HB2      MET  39  -1.439  -5.094 -11.317
  313    HB3  MET  39           HB1      MET  39   0.278  -5.499 -11.316
  314    HG2  MET  39           HG2      MET  39  -0.304  -6.989  -9.267
  315    HG3  MET  39           HG1      MET  39  -1.970  -6.834  -9.820
  316    HE1  MET  39           HE1      MET  39  -2.646  -9.085 -10.535
  317    HE2  MET  39           HE2      MET  39  -2.403  -9.453 -12.240
  318    HE3  MET  39           HE3      MET  39  -2.993  -7.862 -11.766
  319    H    CYS  40           HN       CYS  40  -2.514  -3.133  -9.076
  320    HA   CYS  40           HA       CYS  40  -3.033  -4.109  -6.409
  321    HB2  CYS  40           HB2      CYS  40  -3.833  -1.918  -7.198
  322    HB3  CYS  40           HB1      CYS  40  -4.868  -2.717  -8.378
  323    HA   PRO  41           HA       PRO  41  -4.640  -8.128  -7.940
  324    HB2  PRO  41           HB2      PRO  41  -5.848  -8.106  -5.207
  325    HB3  PRO  41           HB1      PRO  41  -4.957  -9.397  -6.035
  326    HG2  PRO  41           HG2      PRO  41  -3.836  -7.947  -4.114
  327    HG3  PRO  41           HG1      PRO  41  -2.913  -8.496  -5.524
  328    HD2  PRO  41           HD2      PRO  41  -3.907  -5.769  -4.876
  329    HD3  PRO  41           HD1      PRO  41  -2.477  -6.259  -5.804
  330    H    GLY  42           HN       GLY  42  -6.359  -5.390  -6.754
  331    HA2  GLY  42           HA2      GLY  42  -8.993  -6.543  -7.525
  332    HA3  GLY  42           HA1      GLY  42  -8.755  -5.041  -6.632
  333    H    CYS  43           HN       CYS  43  -7.369  -3.379  -7.997
  334    HA   CYS  43           HA       CYS  43  -8.824  -3.086 -10.540
  335    HB2  CYS  43           HB2      CYS  43  -6.815  -1.124  -9.455
  336    HB3  CYS  43           HB1      CYS  43  -8.217  -0.812 -10.479
  337    H    SER  44           HN       SER  44  -5.665  -3.959  -9.430
  338    HA   SER  44           HA       SER  44  -3.848  -4.802 -10.668
  339    HB2  SER  44           HB2      SER  44  -4.250  -5.615 -12.775
  340    HB3  SER  44           HB1      SER  44  -5.924  -5.332 -12.308
  341    HG   SER  44           HG       SER  44  -6.023  -3.798 -13.738
  342    H    ASP  45           HN       ASP  45  -4.096  -2.036  -9.853
  343    HA   ASP  45           HA       ASP  45  -2.777  -0.582 -12.083
  344    HB2  ASP  45           HB2      ASP  45  -4.494   0.194  -9.825
  345    HB3  ASP  45           HB1      ASP  45  -3.094   1.244 -10.048
  346    HA   PRO  46           HA       PRO  46   1.218  -0.841 -10.246
  347    HB2  PRO  46           HB2      PRO  46   2.031   1.836 -10.326
  348    HB3  PRO  46           HB1      PRO  46   2.172   0.675 -11.656
  349    HG2  PRO  46           HG2      PRO  46   0.141   2.786 -11.195
  350    HG3  PRO  46           HG1      PRO  46   0.840   2.196 -12.714
  351    HD2  PRO  46           HD2      PRO  46  -1.659   1.499 -11.919
  352    HD3  PRO  46           HD1      PRO  46  -0.621   0.391 -12.843
  353    H    VAL  47           HN       VAL  47   0.350  -1.344  -8.079
  354    HA   VAL  47           HA       VAL  47  -0.445   0.582  -6.172
  355    HB   VAL  47           HB       VAL  47  -0.033  -1.052  -4.490
  356   HG11  VAL  47          HG11      VAL  47  -1.708  -2.273  -5.360
  357   HG12  VAL  47          HG12      VAL  47  -0.564  -3.128  -6.386
  358   HG13  VAL  47          HG13      VAL  47  -1.336  -1.654  -6.958
  359   HG21  VAL  47          HG21      VAL  47   1.248  -3.205  -5.370
  360   HG22  VAL  47          HG22      VAL  47   2.135  -1.842  -4.691
  361   HG23  VAL  47          HG23      VAL  47   2.015  -2.034  -6.442
  362    H    GLN  48           HN       GLN  48   0.757   2.424  -5.922
  363    HA   GLN  48           HA       GLN  48   3.478   2.812  -6.312
  364    HB2  GLN  48           HB2      GLN  48   2.078   4.728  -5.906
  365    HB3  GLN  48           HB1      GLN  48   1.616   4.123  -4.314
  366    HG2  GLN  48           HG2      GLN  48   3.567   4.808  -3.341
  367    HG3  GLN  48           HG1      GLN  48   4.530   4.435  -4.772
  368   HE21  GLN  48          HE21      GLN  48   4.158   6.011  -6.690
  369   HE22  GLN  48          HE22      GLN  48   3.907   7.646  -6.305
  370    H    ARG  49           HN       ARG  49   1.879   2.109  -3.210
  371    HA   ARG  49           HA       ARG  49   4.088   0.366  -2.498
  372    HB2  ARG  49           HB2      ARG  49   5.364   1.834  -1.374
  373    HB3  ARG  49           HB1      ARG  49   4.238   3.124  -1.772
  374    HG2  ARG  49           HG2      ARG  49   2.885   2.570   0.219
  375    HG3  ARG  49           HG1      ARG  49   4.003   1.259   0.614
  376    HD2  ARG  49           HD2      ARG  49   4.921   4.117   0.287
  377    HD3  ARG  49           HD1      ARG  49   4.381   3.472   1.837
  378    HE   ARG  49           HE       ARG  49   6.381   1.757   0.655
  379   HH11  ARG  49          HH21      ARG  49   5.835   4.740   2.296
  380   HH12  ARG  49          HH22      ARG  49   7.406   4.780   3.024
  381   HH21  ARG  49          HH11      ARG  49   8.435   1.792   1.596
  382   HH22  ARG  49          HH12      ARG  49   8.878   3.112   2.628
  383    H    ILE  50           HN       ILE  50   3.400  -1.164  -1.045
  384    HA   ILE  50           HA       ILE  50   0.597  -0.970  -0.208
  385    HB   ILE  50           HB       ILE  50   2.382  -3.244   0.574
  386   HG12  ILE  50          HG12      ILE  50   1.224  -2.791  -2.193
  387   HG13  ILE  50          HG11      ILE  50   2.933  -2.806  -1.780
  388   HG21  ILE  50          HG21      ILE  50  -0.336  -3.571  -0.584
  389   HG22  ILE  50          HG22      ILE  50  -0.235  -2.778   0.989
  390   HG23  ILE  50          HG23      ILE  50   0.418  -4.397   0.777
  391   HD11  ILE  50          HD11      ILE  50   2.305  -4.979  -2.698
  392   HD12  ILE  50          HD12      ILE  50   1.025  -5.140  -1.503
  393   HD13  ILE  50          HD13      ILE  50   2.708  -5.149  -0.991
  394    H    GLU  51           HN       GLU  51  -0.069  -0.989   1.908
  395    HA   GLU  51           HA       GLU  51   2.006  -0.804   4.024
  396    HB2  GLU  51           HB2      GLU  51  -0.279   1.164   3.829
  397    HB3  GLU  51           HB1      GLU  51   1.090   1.210   4.943
  398    HG2  GLU  51           HG2      GLU  51   2.621   1.387   2.980
  399    HG3  GLU  51           HG1      GLU  51   1.207   1.493   1.932
  400    H    GLN  52           HN       GLN  52   1.231  -1.314   6.121
  401    HA   GLN  52           HA       GLN  52  -1.154  -3.067   6.047
  402    HB2  GLN  52           HB2      GLN  52  -0.246  -4.210   7.876
  403    HB3  GLN  52           HB1      GLN  52   1.196  -3.725   6.985
  404    HG2  GLN  52           HG2      GLN  52   1.149  -1.599   8.465
  405    HG3  GLN  52           HG1      GLN  52   0.045  -2.511   9.495
  406   HE21  GLN  52          HE21      GLN  52   0.899  -4.714  10.251
  407   HE22  GLN  52          HE22      GLN  52   2.567  -4.864  10.524
  408    H    CYS  53           HN       CYS  53  -2.967  -2.683   7.283
  409    HA   CYS  53           HA       CYS  53  -2.911  -0.439   9.225
  410    HB2  CYS  53           HB2      CYS  53  -4.166  -0.379   6.605
  411    HB3  CYS  53           HB1      CYS  53  -5.353  -0.147   7.889
  412    H    THR  54           HN       THR  54  -4.855  -0.437  10.628
  413    HA   THR  54           HA       THR  54  -5.639  -3.173  11.293
  414    HB   THR  54           HB       THR  54  -7.194  -1.343  12.786
  415    HG1  THR  54           HG1      THR  54  -5.323   0.002  11.729
  416   HG21  THR  54          HG21      THR  54  -4.572  -2.725  13.421
  417   HG22  THR  54          HG22      THR  54  -6.184  -3.409  13.631
  418   HG23  THR  54          HG23      THR  54  -5.673  -2.038  14.615
  419    H    ARG  55           HN       ARG  55  -7.912  -3.839  11.452
  420    HA   ARG  55           HA       ARG  55  -9.398  -3.438   9.107
  421    HB2  ARG  55           HB2      ARG  55 -10.551  -4.129  11.822
  422    HB3  ARG  55           HB1      ARG  55 -11.255  -4.511  10.250
  423    HG2  ARG  55           HG2      ARG  55  -9.154  -5.827   9.735
  424    HG3  ARG  55           HG1      ARG  55  -8.684  -5.601  11.420
  425    HD2  ARG  55           HD2      ARG  55  -9.823  -7.757  11.151
  426    HD3  ARG  55           HD1      ARG  55 -10.804  -6.674  12.139
  427    HE   ARG  55           HE       ARG  55 -11.461  -6.586   9.288
  428   HH11  ARG  55          HH21      ARG  55 -11.954  -8.068  12.362
  429   HH12  ARG  55          HH22      ARG  55 -13.536  -8.657  11.974
  430   HH21  ARG  55          HH11      ARG  55 -13.525  -7.344   8.763
  431   HH22  ARG  55          HH12      ARG  55 -14.426  -8.246   9.937
  432    H    GLY  56           HN       GLY  56 -10.605  -2.260  12.256
  433    HA2  GLY  56           HA2      GLY  56 -12.272  -0.284  10.980
  434    HA3  GLY  56           HA1      GLY  56 -11.945  -0.383  12.709
  435    H    SER  57           HN       SER  57  -9.353  -0.104  10.327
  436    HA   SER  57           HA       SER  57  -8.509   2.386  11.647
  437    HB2  SER  57           HB2      SER  57  -6.890   0.560  11.002
  438    HB3  SER  57           HB1      SER  57  -7.212   0.947   9.315
  439    HG   SER  57           HG       SER  57  -6.668   3.202  10.083
  440    H    LEU  58           HN       LEU  58  -9.894   1.328   8.603
  441    HA   LEU  58           HA       LEU  58  -9.704   4.086   7.520
  442    HB2  LEU  58           HB2      LEU  58 -10.946   1.828   6.002
  443    HB3  LEU  58           HB1      LEU  58 -10.007   3.195   5.410
  444    HG   LEU  58           HG       LEU  58  -8.918   0.813   6.939
  445   HD11  LEU  58          HD11      LEU  58  -7.676   0.475   4.772
  446   HD12  LEU  58          HD12      LEU  58  -8.676   1.743   4.064
  447   HD13  LEU  58          HD13      LEU  58  -9.421   0.253   4.638
  448   HD21  LEU  58          HD21      LEU  58  -7.775   3.469   6.149
  449   HD22  LEU  58          HD22      LEU  58  -6.729   2.052   6.060
  450   HD23  LEU  58          HD23      LEU  58  -7.469   2.508   7.593
  451    H    PHE  59           HN       PHE  59 -11.787   4.724   6.236
  452    HA   PHE  59           HA       PHE  59 -14.165   4.130   7.953
  453    HB2  PHE  59           HB2      PHE  59 -13.553   6.694   6.460
  454    HB3  PHE  59           HB1      PHE  59 -14.922   6.408   7.538
  455    HD1  PHE  59           HD2      PHE  59 -11.180   6.387   7.458
  456    HD2  PHE  59           HD1      PHE  59 -14.727   6.833   9.839
  457    HE1  PHE  59           HE2      PHE  59  -9.791   7.046   9.404
  458    HE2  PHE  59           HE1      PHE  59 -13.337   7.491  11.785
  459    HZ   PHE  59           HZ       PHE  59 -10.869   7.598  11.567
  460    H    MET  60           HN       MET  60 -15.633   2.953   6.838
  461    HA   MET  60           HA       MET  60 -15.534   2.787   3.925
  462    HB2  MET  60           HB2      MET  60 -16.992   1.426   6.124
  463    HB3  MET  60           HB1      MET  60 -17.806   1.469   4.559
  464    HG2  MET  60           HG2      MET  60 -16.078   0.292   3.485
  465    HG3  MET  60           HG1      MET  60 -14.909   0.669   4.751
  466    HE1  MET  60           HE1      MET  60 -14.028  -1.616   5.715
  467    HE2  MET  60           HE2      MET  60 -14.508  -1.837   4.035
  468    HE3  MET  60           HE3      MET  60 -14.935  -3.056   5.233
  469    H    CYS  61           HN       CYS  61 -17.053   3.560   2.463
  470    HA   CYS  61           HA       CYS  61 -18.899   5.671   3.496
  471    HB2  CYS  61           HB2      CYS  61 -18.015   6.885   1.812
  472    HB3  CYS  61           HB1      CYS  61 -17.135   5.483   1.207
  473    H    SER  62           HN       SER  62 -21.103   5.541   3.031
  474    HA   SER  62           HA       SER  62 -22.040   3.290   1.322
  475    HB2  SER  62           HB2      SER  62 -22.562   3.680   4.243
  476    HB3  SER  62           HB1      SER  62 -23.864   3.049   3.240
  477    HG   SER  62           HG       SER  62 -21.453   1.893   2.704
  478    H    ILE  63           HN       ILE  63 -22.422   5.257  -0.050
  479    HA   ILE  63           HA       ILE  63 -24.682   6.961   0.838
  480    HB   ILE  63           HB       ILE  63 -23.209   7.093  -1.800
  481   HG12  ILE  63          HG12      ILE  63 -21.496   7.210  -0.108
  482   HG13  ILE  63          HG11      ILE  63 -21.812   8.858  -0.643
  483   HG21  ILE  63          HG21      ILE  63 -25.434   8.430  -0.873
  484   HG22  ILE  63          HG22      ILE  63 -24.347   9.028  -2.126
  485   HG23  ILE  63          HG23      ILE  63 -24.131   9.539  -0.453
  486   HD11  ILE  63          HD11      ILE  63 -23.503   8.955   1.321
  487   HD12  ILE  63          HD12      ILE  63 -21.788   9.029   1.715
  488   HD13  ILE  63          HD13      ILE  63 -22.673   7.520   1.919
  489    H    VAL  64           HN       VAL  64 -23.938   5.435  -2.313
  490    HA   VAL  64           HA       VAL  64 -26.623   4.164  -2.283
  491    HB   VAL  64           HB       VAL  64 -27.341   5.156  -4.302
  492   HG11  VAL  64          HG11      VAL  64 -25.802   7.378  -2.934
  493   HG12  VAL  64          HG12      VAL  64 -27.309   6.710  -2.309
  494   HG13  VAL  64          HG13      VAL  64 -27.289   7.531  -3.870
  495   HG21  VAL  64          HG21      VAL  64 -25.625   6.754  -5.495
  496   HG22  VAL  64          HG22      VAL  64 -25.517   5.014  -5.761
  497   HG23  VAL  64          HG23      VAL  64 -24.423   5.802  -4.626
  498    H    GLN  65           HN       GLN  65 -26.781   2.906  -4.557
  499    HA   GLN  65           HA       GLN  65 -25.948   0.990  -5.641
  500    HB2  GLN  65           HB2      GLN  65 -24.915   2.805  -6.974
  501    HB3  GLN  65           HB1      GLN  65 -23.529   2.805  -5.882
  502    HG2  GLN  65           HG2      GLN  65 -22.602   1.070  -6.973
  503    HG3  GLN  65           HG1      GLN  65 -24.072   0.114  -6.778
  504   HE21  GLN  65          HE21      GLN  65 -25.800   0.435  -8.459
  505   HE22  GLN  65          HE22      GLN  65 -25.357   0.953 -10.014
  506    H    GLY  66           HN       GLY  66 -22.644   1.380  -5.141
  507    HA2  GLY  66           HA2      GLY  66 -22.608  -0.093  -2.575
  508    HA3  GLY  66           HA1      GLY  66 -21.944  -0.929  -3.979
  509    H    CYS  67           HN       CYS  67 -21.682   2.552  -3.521
  510    HA   CYS  67           HA       CYS  67 -18.966   2.763  -4.105
  511    HB2  CYS  67           HB2      CYS  67 -20.617   4.662  -3.707
  512    HB3  CYS  67           HB1      CYS  67 -20.319   4.444  -1.984
  513    H    LYS  68           HN       LYS  68 -17.107   2.225  -3.051
  514    HA   LYS  68           HA       LYS  68 -17.227   1.676  -0.122
  515    HB2  LYS  68           HB2      LYS  68 -16.261  -0.176  -2.303
  516    HB3  LYS  68           HB1      LYS  68 -15.668  -0.318  -0.647
  517    HG2  LYS  68           HG2      LYS  68 -18.622  -0.132  -1.062
  518    HG3  LYS  68           HG1      LYS  68 -17.826  -1.655  -1.458
  519    HD2  LYS  68           HD2      LYS  68 -17.145  -2.029   0.738
  520    HD3  LYS  68           HD1      LYS  68 -17.206  -0.316   1.155
  521    HE2  LYS  68           HE2      LYS  68 -19.088  -1.877   2.055
  522    HE3  LYS  68           HE1      LYS  68 -19.547  -0.321   1.364
  523    HZ1  LYS  68           HZ1      LYS  68 -19.395  -2.750  -0.307
  524    HZ2  LYS  68           HZ2      LYS  68 -20.244  -1.307  -0.601
  525    HZ3  LYS  68           HZ3      LYS  68 -20.792  -2.391   0.587
  526    H    ARG  69           HN       ARG  69 -16.184   3.995  -1.416
  527    HA   ARG  69           HA       ARG  69 -13.289   3.652  -1.679
  528    HB2  ARG  69           HB2      ARG  69 -14.975   6.167  -1.502
  529    HB3  ARG  69           HB1      ARG  69 -13.265   6.111  -1.933
  530    HG2  ARG  69           HG2      ARG  69 -14.489   4.225  -3.610
  531    HG3  ARG  69           HG1      ARG  69 -15.591   5.602  -3.600
  532    HD2  ARG  69           HD2      ARG  69 -13.568   7.079  -4.042
  533    HD3  ARG  69           HD1      ARG  69 -12.650   5.599  -4.322
  534    HE   ARG  69           HE       ARG  69 -15.101   5.763  -5.906
  535   HH11  ARG  69          HH21      ARG  69 -11.761   6.569  -5.615
  536   HH12  ARG  69          HH22      ARG  69 -11.508   6.705  -7.322
  537   HH21  ARG  69          HH11      ARG  69 -14.790   5.936  -8.137
  538   HH22  ARG  69          HH12      ARG  69 -13.223   6.347  -8.750
  539    H    THR  70           HN       THR  70 -12.319   3.062   0.244
  540    HA   THR  70           HA       THR  70 -13.193   4.204   2.783
  541    HB   THR  70           HB       THR  70 -10.713   3.030   3.221
  542    HG1  THR  70           HG1      THR  70 -10.509   2.142   1.256
  543   HG21  THR  70          HG21      THR  70 -13.489   1.823   3.276
  544   HG22  THR  70          HG22      THR  70 -12.689   2.681   4.592
  545   HG23  THR  70          HG23      THR  70 -12.074   1.117   4.058
  546    H    TYR  71           HN       TYR  71 -11.294   5.050   4.251
  547    HA   TYR  71           HA       TYR  71  -9.261   6.606   2.856
  548    HB2  TYR  71           HB2      TYR  71 -11.611   7.954   4.213
  549    HB3  TYR  71           HB1      TYR  71 -10.099   8.785   3.843
  550    HD1  TYR  71           HD1      TYR  71  -9.349   9.047   1.486
  551    HD2  TYR  71           HD2      TYR  71 -13.179   7.374   2.477
  552    HE1  TYR  71           HE1      TYR  71 -10.100   9.379  -0.855
  553    HE2  TYR  71           HE2      TYR  71 -13.930   7.707   0.137
  554    HH   TYR  71           HH       TYR  71 -12.021   8.110  -2.363
  555    H    LEU  72           HN       LEU  72  -8.550   8.330   4.892
  556    HA   LEU  72           HA       LEU  72  -8.101   6.487   7.202
  557    HB2  LEU  72           HB2      LEU  72  -6.114   8.595   6.942
  558    HB3  LEU  72           HB1      LEU  72  -5.881   6.853   7.074
  559    HG   LEU  72           HG       LEU  72  -6.603   8.332   4.522
  560   HD11  LEU  72          HD11      LEU  72  -4.016   6.934   5.237
  561   HD12  LEU  72          HD12      LEU  72  -4.259   8.667   5.450
  562   HD13  LEU  72          HD13      LEU  72  -4.338   7.957   3.838
  563   HD21  LEU  72          HD21      LEU  72  -5.520   5.688   4.173
  564   HD22  LEU  72          HD22      LEU  72  -7.092   6.299   3.665
  565   HD23  LEU  72          HD23      LEU  72  -6.895   5.595   5.269
  566    H    SER  73           HN       SER  73  -9.534   9.350   6.224
  567    HA   SER  73           HA       SER  73  -9.821  10.180   9.055
  568    HB2  SER  73           HB2      SER  73  -9.119  12.205   6.920
  569    HB3  SER  73           HB1      SER  73  -9.194  12.453   8.662
  570    HG   SER  73           HG       SER  73  -7.073  11.939   7.377
  571    H    GLN  74           HN       GLN  74 -11.945  10.616   9.419
  572    HA   GLN  74           HA       GLN  74 -13.987  10.281   7.552
  573    HB2  GLN  74           HB2      GLN  74 -14.069  10.737  10.150
  574    HB3  GLN  74           HB1      GLN  74 -14.295  12.412   9.646
  575    HG2  GLN  74           HG2      GLN  74 -16.501  11.678   9.717
  576    HG3  GLN  74           HG1      GLN  74 -16.099  11.363   8.029
  577   HE21  GLN  74          HE21      GLN  74 -15.322   9.061   7.545
  578   HE22  GLN  74          HE22      GLN  74 -15.965   7.794   8.474
  579    H    ARG  75           HN       ARG  75 -11.887  13.020   8.011
  580    HA   ARG  75           HA       ARG  75 -13.437  14.985   6.607
  581    HB2  ARG  75           HB2      ARG  75 -11.439  15.432   8.073
  582    HB3  ARG  75           HB1      ARG  75 -10.421  14.760   6.800
  583    HG2  ARG  75           HG2      ARG  75 -11.998  16.576   5.431
  584    HG3  ARG  75           HG1      ARG  75 -11.703  17.385   6.967
  585    HD2  ARG  75           HD2      ARG  75  -9.239  16.775   6.653
  586    HD3  ARG  75           HD1      ARG  75  -9.663  16.351   4.993
  587    HE   ARG  75           HE       ARG  75 -10.638  18.982   5.586
  588   HH11  ARG  75          HH21      ARG  75  -7.772  17.149   5.032
  589   HH12  ARG  75          HH22      ARG  75  -6.880  18.487   4.388
  590   HH21  ARG  75          HH11      ARG  75  -9.493  20.739   4.749
  591   HH22  ARG  75          HH12      ARG  75  -7.855  20.521   4.228
  592    H    ASP  76           HN       ASP  76 -11.269  12.436   5.568
  593    HA   ASP  76           HA       ASP  76 -11.170  13.410   2.806
  594    HB2  ASP  76           HB2      ASP  76 -10.025  11.084   4.308
  595    HB3  ASP  76           HB1      ASP  76 -10.151  10.975   2.552
  596    H    LEU  77           HN       LEU  77 -12.874  11.008   4.704
  597    HA   LEU  77           HA       LEU  77 -14.182   9.789   2.418
  598    HB2  LEU  77           HB2      LEU  77 -13.888   8.466   4.430
  599    HB3  LEU  77           HB1      LEU  77 -14.692   9.695   5.404
  600    HG   LEU  77           HG       LEU  77 -16.306   8.786   3.128
  601   HD11  LEU  77          HD11      LEU  77 -15.160   6.670   3.654
  602   HD12  LEU  77          HD12      LEU  77 -16.855   6.605   4.136
  603   HD13  LEU  77          HD13      LEU  77 -15.602   6.852   5.350
  604   HD21  LEU  77          HD21      LEU  77 -16.887   8.736   6.098
  605   HD22  LEU  77          HD22      LEU  77 -18.043   8.876   4.773
  606   HD23  LEU  77          HD23      LEU  77 -16.963  10.219   5.147
  607    H    GLN  78           HN       GLN  78 -14.827  12.332   4.776
  608    HA   GLN  78           HA       GLN  78 -17.558  12.743   3.950
  609    HB2  GLN  78           HB2      GLN  78 -16.385  13.704   6.051
  610    HB3  GLN  78           HB1      GLN  78 -15.751  14.936   4.961
  611    HG2  GLN  78           HG2      GLN  78 -18.671  14.282   5.392
  612    HG3  GLN  78           HG1      GLN  78 -17.825  15.679   6.049
  613   HE21  GLN  78          HE21      GLN  78 -19.558  14.503   3.308
  614   HE22  GLN  78          HE22      GLN  78 -19.240  15.810   2.273
  615    H    ALA  79           HN       ALA  79 -14.443  13.917   3.071
  616    HA   ALA  79           HA       ALA  79 -15.293  15.800   1.080
  617    HB1  ALA  79           HB1      ALA  79 -12.969  15.749   0.317
  618    HB2  ALA  79           HB2      ALA  79 -12.676  14.279   1.245
  619    HB3  ALA  79           HB3      ALA  79 -13.008  15.797   2.078
  620    H    HIS  80           HN       HIS  80 -15.068  12.338   1.200
  621    HA   HIS  80           HA       HIS  80 -14.849  12.033  -1.691
  622    HB2  HIS  80           HB2      HIS  80 -14.121  10.149  -0.439
  623    HB3  HIS  80           HB1      HIS  80 -15.605  10.103   0.502
  624    HD1  HIS  80           HD1      HIS  80 -14.306   9.390  -2.976
  625    HD2  HIS  80           HD2      HIS  80 -17.735   8.739  -0.705
  626    HE1  HIS  80           HE1      HIS  80 -15.770   7.818  -4.320
  627    H    ILE  81           HN       ILE  81 -17.466  12.062   0.650
  628    HA   ILE  81           HA       ILE  81 -19.608  11.401  -1.098
  629    HB   ILE  81           HB       ILE  81 -19.993  13.477   1.011
  630   HG12  ILE  81          HG12      ILE  81 -18.444  11.999   2.065
  631   HG13  ILE  81          HG11      ILE  81 -20.031  11.688   2.742
  632   HG21  ILE  81          HG21      ILE  81 -21.531  10.985   0.253
  633   HG22  ILE  81          HG22      ILE  81 -21.915  12.626  -0.264
  634   HG23  ILE  81          HG23      ILE  81 -22.037  12.185   1.439
  635   HD11  ILE  81          HD11      ILE  81 -19.575   9.515   2.294
  636   HD12  ILE  81          HD12      ILE  81 -18.271   9.927   1.187
  637   HD13  ILE  81          HD13      ILE  81 -19.940   9.928   0.621
  638    H    ASN  82           HN       ASN  82 -18.421  14.620  -0.138
  639    HA   ASN  82           HA       ASN  82 -20.217  15.906  -2.018
  640    HB2  ASN  82           HB2      ASN  82 -18.661  17.920  -1.538
  641    HB3  ASN  82           HB1      ASN  82 -19.633  17.280  -0.214
  642   HD21  ASN  82          HD21      ASN  82 -18.514  16.647   1.641
  643   HD22  ASN  82          HD22      ASN  82 -16.833  16.438   1.725
  644    H    HIS  83           HN       HIS  83 -17.116  14.433  -2.296
  645    HA   HIS  83           HA       HIS  83 -16.417  16.034  -4.646
  646    HB2  HIS  83           HB2      HIS  83 -15.101  13.686  -3.306
  647    HB3  HIS  83           HB1      HIS  83 -14.522  14.329  -4.838
  648    HD1  HIS  83           HD1      HIS  83 -12.381  14.809  -3.076
  649    HD2  HIS  83           HD2      HIS  83 -15.734  17.275  -2.807
  650    HE1  HIS  83           HE1      HIS  83 -11.635  16.906  -1.863
  651    HE2  HIS  83           HE2      HIS  83 -13.668  18.414  -1.695
  652    H    ARG  84           HN       ARG  84 -17.984  12.930  -4.048
  653    HA   ARG  84           HA       ARG  84 -18.095  12.589  -7.019
  654    HB2  ARG  84           HB2      ARG  84 -18.103  10.205  -5.205
  655    HB3  ARG  84           HB1      ARG  84 -17.648  10.308  -6.899
  656    HG2  ARG  84           HG2      ARG  84 -16.028  11.708  -4.750
  657    HG3  ARG  84           HG1      ARG  84 -15.744  10.033  -5.187
  658    HD2  ARG  84           HD2      ARG  84 -15.366  10.667  -7.523
  659    HD3  ARG  84           HD1      ARG  84 -15.693  12.352  -7.130
  660    HE   ARG  84           HE       ARG  84 -13.653  11.746  -5.408
  661   HH11  ARG  84          HH21      ARG  84 -14.197  11.265  -8.779
  662   HH12  ARG  84          HH22      ARG  84 -12.518  11.353  -9.197
  663   HH21  ARG  84          HH11      ARG  84 -11.459  11.863  -5.935
  664   HH22  ARG  84          HH12      ARG  84 -10.969  11.692  -7.588
  665    H    HIS  85           HN       HIS  85 -19.852  12.370  -4.004
  666    HA   HIS  85           HA       HIS  85 -22.219  11.321  -5.452
  667    HB2  HIS  85           HB2      HIS  85 -21.956  11.903  -2.496
  668    HB3  HIS  85           HB1      HIS  85 -23.185  10.917  -3.288
  669    HD1  HIS  85           HD1      HIS  85 -22.726   8.489  -3.021
  670    HD2  HIS  85           HD2      HIS  85 -19.193  10.690  -3.237
  671    HE1  HIS  85           HE1      HIS  85 -20.832   6.820  -2.830
  672    H    MET  86           HN       MET  86 -21.282  13.988  -3.328
  673    HA   MET  86           HA       MET  86 -22.370  16.041  -2.909
  674    HB2  MET  86           HB2      MET  86 -21.127  15.972  -5.297
  675    HB3  MET  86           HB1      MET  86 -22.769  16.333  -5.836
  676    HG2  MET  86           HG2      MET  86 -22.734  18.121  -3.930
  677    HG3  MET  86           HG1      MET  86 -20.982  17.936  -4.022
  678    HE1  MET  86           HE1      MET  86 -21.815  21.280  -5.720
  679    HE2  MET  86           HE2      MET  86 -21.871  20.429  -4.178
  680    HE3  MET  86           HE3      MET  86 -23.336  20.584  -5.145
  681    H    ARG  87           HN       ARG  87 -24.193  13.743  -3.005
  682    HA   ARG  87           HA       ARG  87 -26.588  14.759  -4.382
  683    HB2  ARG  87           HB2      ARG  87 -25.727  12.220  -3.198
  684    HB3  ARG  87           HB1      ARG  87 -27.397  12.630  -2.802
  685    HG2  ARG  87           HG2      ARG  87 -28.002  12.802  -5.106
  686    HG3  ARG  87           HG1      ARG  87 -26.317  12.780  -5.623
  687    HD2  ARG  87           HD2      ARG  87 -27.815  10.581  -5.726
  688    HD3  ARG  87           HD1      ARG  87 -26.103  10.500  -5.307
  689    HE   ARG  87           HE       ARG  87 -26.723   9.921  -3.098
  690   HH11  ARG  87          HH21      ARG  87 -29.358  11.189  -4.923
  691   HH12  ARG  87          HH22      ARG  87 -30.548  10.804  -3.723
  692   HH21  ARG  87          HH11      ARG  87 -28.259   9.412  -1.520
  693   HH22  ARG  87          HH12      ARG  87 -29.924   9.798  -1.797
  694    H    ALA  88           HN       ALA  88 -25.072  15.471  -1.531
  695    HA   ALA  88           HA       ALA  88 -27.014  15.434   0.483
  696    HB1  ALA  88           HB1      ALA  88 -24.875  16.233   1.105
  697    HB2  ALA  88           HB2      ALA  88 -25.906  17.660   1.211
  698    HB3  ALA  88           HB3      ALA  88 -24.854  17.434  -0.186
  699    H    GLY  89           HN       GLY  89 -27.173  17.038  -2.512
  700    HA2  GLY  89           HA2      GLY  89 -28.757  19.322  -1.772
  701    HA3  GLY  89           HA1      GLY  89 -28.685  18.612  -3.385
  Start of MODEL   10
    1    H1   VAL   1           HT1      VAL   1 -14.593  -6.823   0.977
    2    H2   VAL   1           HT2      VAL   1 -16.053  -5.954   0.958
    3    H3   VAL   1           HT3      VAL   1 -16.029  -7.568   1.488
    4    HA   VAL   1           HA       VAL   1 -14.504  -5.425   2.847
    5    HB   VAL   1           HB       VAL   1 -16.351  -5.321   4.467
    6   HG11  VAL   1          HG11      VAL   1 -17.772  -3.944   3.188
    7   HG12  VAL   1          HG12      VAL   1 -17.582  -4.937   1.743
    8   HG13  VAL   1          HG13      VAL   1 -16.256  -3.910   2.288
    9   HG21  VAL   1          HG21      VAL   1 -17.432  -7.468   2.674
   10   HG22  VAL   1          HG22      VAL   1 -18.572  -6.383   3.471
   11   HG23  VAL   1          HG23      VAL   1 -17.464  -7.362   4.434
   12    H    HIS   2           HN       HIS   2 -13.229  -6.297   4.393
   13    HA   HIS   2           HA       HIS   2 -12.235  -7.830   5.834
   14    HB2  HIS   2           HB2      HIS   2 -14.566  -7.961   6.784
   15    HB3  HIS   2           HB1      HIS   2 -14.858  -9.339   5.726
   16    HD1  HIS   2           HD1      HIS   2 -12.886  -8.301   8.749
   17    HD2  HIS   2           HD2      HIS   2 -13.505 -11.719   6.442
   18    HE1  HIS   2           HE1      HIS   2 -11.876 -10.232  10.044
   19    HE2  HIS   2           HE2      HIS   2 -12.247 -12.318   8.649
   20    H    PHE   3           HN       PHE   3 -14.322  -9.694   3.653
   21    HA   PHE   3           HA       PHE   3 -12.351 -11.784   3.300
   22    HB2  PHE   3           HB2      PHE   3 -14.624 -11.280   1.394
   23    HB3  PHE   3           HB1      PHE   3 -13.920 -12.820   1.890
   24    HD1  PHE   3           HD1      PHE   3 -14.192 -13.537   4.341
   25    HD2  PHE   3           HD2      PHE   3 -16.481 -10.380   2.541
   26    HE1  PHE   3           HE1      PHE   3 -15.876 -13.726   6.151
   27    HE2  PHE   3           HE2      PHE   3 -18.166 -10.568   4.351
   28    HZ   PHE   3           HZ       PHE   3 -17.863 -12.242   6.157
   29    H    CYS   4           HN       CYS   4 -10.452 -11.241   2.272
   30    HA   CYS   4           HA       CYS   4  -9.968  -9.139   0.517
   31    HB2  CYS   4           HB2      CYS   4  -7.980 -10.222  -0.107
   32    HB3  CYS   4           HB1      CYS   4  -8.326 -10.895   1.484
   33    H    ASP   5           HN       ASP   5 -10.617  -8.650  -1.516
   34    HA   ASP   5           HA       ASP   5 -12.439 -10.422  -2.921
   35    HB2  ASP   5           HB2      ASP   5 -11.815  -7.672  -2.977
   36    HB3  ASP   5           HB1      ASP   5 -11.408  -8.288  -4.579
   37    H    LYS   6           HN       LYS   6  -9.042 -10.134  -2.825
   38    HA   LYS   6           HA       LYS   6  -8.535 -10.973  -5.562
   39    HB2  LYS   6           HB2      LYS   6  -6.874  -9.700  -4.175
   40    HB3  LYS   6           HB1      LYS   6  -6.712 -11.116  -3.143
   41    HG2  LYS   6           HG2      LYS   6  -4.897 -11.205  -4.717
   42    HG3  LYS   6           HG1      LYS   6  -6.051 -12.438  -5.207
   43    HD2  LYS   6           HD2      LYS   6  -6.695  -9.898  -6.461
   44    HD3  LYS   6           HD1      LYS   6  -5.028 -10.357  -6.798
   45    HE2  LYS   6           HE2      LYS   6  -5.708 -12.488  -7.682
   46    HE3  LYS   6           HE1      LYS   6  -7.368 -12.249  -7.137
   47    HZ1  LYS   6           HZ1      LYS   6  -7.137 -10.108  -8.607
   48    HZ2  LYS   6           HZ2      LYS   6  -7.555 -11.605  -9.294
   49    HZ3  LYS   6           HZ3      LYS   6  -5.957 -11.035  -9.396
   50    H    CYS   7           HN       CYS   7  -8.710 -12.561  -2.398
   51    HA   CYS   7           HA       CYS   7  -8.733 -15.171  -3.824
   52    HB2  CYS   7           HB2      CYS   7  -7.911 -15.249  -1.010
   53    HB3  CYS   7           HB1      CYS   7  -7.188 -16.035  -2.414
   54    H    GLY   8           HN       GLY   8 -10.295 -13.121  -1.493
   55    HA2  GLY   8           HA2      GLY   8 -12.553 -13.427  -0.753
   56    HA3  GLY   8           HA1      GLY   8 -12.493 -15.085  -1.347
   57    H    LEU   9           HN       LEU   9  -9.784 -14.154   0.539
   58    HA   LEU   9           HA       LEU   9 -10.757 -15.890   2.742
   59    HB2  LEU   9           HB2      LEU   9  -8.103 -15.057   1.698
   60    HB3  LEU   9           HB1      LEU   9  -8.212 -15.264   3.447
   61    HG   LEU   9           HG       LEU   9  -9.071 -17.530   3.167
   62   HD11  LEU   9          HD11      LEU   9  -9.306 -16.616   0.350
   63   HD12  LEU   9          HD12      LEU   9 -10.327 -17.728   1.260
   64   HD13  LEU   9          HD13      LEU   9  -8.799 -18.288   0.582
   65   HD21  LEU   9          HD21      LEU   9  -7.083 -18.554   2.027
   66   HD22  LEU   9          HD22      LEU   9  -6.644 -17.309   3.197
   67   HD23  LEU   9          HD23      LEU   9  -6.622 -16.945   1.471
   68    HA   PRO  10           HA       PRO  10 -11.550 -12.450   5.377
   69    HB2  PRO  10           HB2      PRO  10 -10.704 -13.364   7.820
   70    HB3  PRO  10           HB1      PRO  10 -12.232 -13.831   7.050
   71    HG2  PRO  10           HG2      PRO  10  -9.662 -15.317   7.209
   72    HG3  PRO  10           HG1      PRO  10 -11.325 -15.923   7.270
   73    HD2  PRO  10           HD2      PRO  10  -9.752 -16.097   5.029
   74    HD3  PRO  10           HD1      PRO  10 -11.526 -16.000   4.968
   75    H    ILE  11           HN       ILE  11 -10.317 -10.721   5.022
   76    HA   ILE  11           HA       ILE  11  -7.498 -10.539   5.083
   77    HB   ILE  11           HB       ILE  11  -9.660  -8.448   5.439
   78   HG12  ILE  11          HG12      ILE  11  -7.884  -8.922   3.053
   79   HG13  ILE  11          HG11      ILE  11  -9.362  -9.853   3.279
   80   HG21  ILE  11          HG21      ILE  11  -7.458  -7.145   4.442
   81   HG22  ILE  11          HG22      ILE  11  -6.735  -8.255   5.604
   82   HG23  ILE  11          HG23      ILE  11  -7.965  -7.111   6.130
   83   HD11  ILE  11          HD11      ILE  11  -9.638  -6.930   3.651
   84   HD12  ILE  11          HD12      ILE  11 -10.714  -8.068   2.840
   85   HD13  ILE  11          HD13      ILE  11  -9.287  -7.453   2.003
   86    H    LYS  12           HN       LYS  12  -6.264 -10.948   6.826
   87    HA   LYS  12           HA       LYS  12  -7.240 -10.446   9.551
   88    HB2  LYS  12           HB2      LYS  12  -5.797 -12.417   9.013
   89    HB3  LYS  12           HB1      LYS  12  -4.487 -11.309   8.601
   90    HG2  LYS  12           HG2      LYS  12  -4.379 -10.471  10.853
   91    HG3  LYS  12           HG1      LYS  12  -5.863 -11.313  11.298
   92    HD2  LYS  12           HD2      LYS  12  -3.845 -12.511  12.108
   93    HD3  LYS  12           HD1      LYS  12  -4.765 -13.479  10.955
   94    HE2  LYS  12           HE2      LYS  12  -2.559 -11.707   9.954
   95    HE3  LYS  12           HE1      LYS  12  -2.157 -13.264  10.680
   96    HZ1  LYS  12           HZ1      LYS  12  -2.637 -14.170   8.731
   97    HZ2  LYS  12           HZ2      LYS  12  -3.247 -12.708   8.118
   98    HZ3  LYS  12           HZ3      LYS  12  -4.263 -13.759   8.983
   99    H    VAL  13           HN       VAL  13  -5.044  -9.026   7.210
  100    HA   VAL  13           HA       VAL  13  -4.806  -6.622   8.951
  101    HB   VAL  13           HB       VAL  13  -2.566  -7.244   7.140
  102   HG11  VAL  13          HG11      VAL  13  -1.279  -6.170   8.855
  103   HG12  VAL  13          HG12      VAL  13  -2.564  -6.394  10.041
  104   HG13  VAL  13          HG13      VAL  13  -2.778  -5.254   8.713
  105   HG21  VAL  13          HG21      VAL  13  -2.776  -9.451   8.007
  106   HG22  VAL  13          HG22      VAL  13  -3.182  -8.857   9.617
  107   HG23  VAL  13          HG23      VAL  13  -1.538  -8.686   9.003
  108    H    TYR  14           HN       TYR  14  -5.155  -4.739   7.795
  109    HA   TYR  14           HA       TYR  14  -6.251  -5.040   5.126
  110    HB2  TYR  14           HB2      TYR  14  -5.862  -2.767   7.020
  111    HB3  TYR  14           HB1      TYR  14  -6.200  -2.423   5.326
  112    HD1  TYR  14           HD2      TYR  14  -7.441  -5.268   7.439
  113    HD2  TYR  14           HD1      TYR  14  -8.425  -1.680   5.311
  114    HE1  TYR  14           HE2      TYR  14  -9.844  -5.718   7.801
  115    HE2  TYR  14           HE1      TYR  14 -10.835  -2.122   5.675
  116    HH   TYR  14           HH       TYR  14 -12.307  -3.980   6.154
  117    H    GLY  15           HN       GLY  15  -4.821  -5.477   3.549
  118    HA2  GLY  15           HA2      GLY  15  -2.174  -4.241   3.453
  119    HA3  GLY  15           HA1      GLY  15  -2.866  -5.292   2.209
  120    H    ARG  16           HN       ARG  16  -2.764  -2.053   3.467
  121    HA   ARG  16           HA       ARG  16  -4.613  -0.875   1.581
  122    HB2  ARG  16           HB2      ARG  16  -3.821   0.082   3.811
  123    HB3  ARG  16           HB1      ARG  16  -2.324   0.517   2.992
  124    HG2  ARG  16           HG2      ARG  16  -3.318   2.402   2.293
  125    HG3  ARG  16           HG1      ARG  16  -4.398   1.415   1.306
  126    HD2  ARG  16           HD2      ARG  16  -5.851   1.125   3.359
  127    HD3  ARG  16           HD1      ARG  16  -4.840   2.325   4.160
  128    HE   ARG  16           HE       ARG  16  -5.829   3.993   2.808
  129   HH11  ARG  16          HH21      ARG  16  -6.545   0.819   1.715
  130   HH12  ARG  16          HH22      ARG  16  -7.827   1.323   0.666
  131   HH21  ARG  16          HH11      ARG  16  -7.499   4.682   1.452
  132   HH22  ARG  16          HH12      ARG  16  -8.366   3.512   0.515
  133    H    MET  17           HN       MET  17  -4.279  -0.158  -0.464
  134    HA   MET  17           HA       MET  17  -1.459  -0.117  -1.487
  135    HB2  MET  17           HB2      MET  17  -3.544  -0.290  -3.538
  136    HB3  MET  17           HB1      MET  17  -2.060  -1.210  -3.375
  137    HG2  MET  17           HG2      MET  17  -4.579  -1.740  -1.772
  138    HG3  MET  17           HG1      MET  17  -4.129  -2.597  -3.237
  139    HE1  MET  17           HE1      MET  17  -0.691  -3.031  -2.697
  140    HE2  MET  17           HE2      MET  17  -2.048  -3.516  -3.699
  141    HE3  MET  17           HE3      MET  17  -1.288  -4.692  -2.638
  142    H    ILE  18           HN       ILE  18  -0.809   1.778  -2.456
  143    HA   ILE  18           HA       ILE  18  -2.896   3.868  -2.889
  144    HB   ILE  18           HB       ILE  18  -0.577   5.292  -2.622
  145   HG12  ILE  18          HG12      ILE  18  -0.405   2.992  -0.663
  146   HG13  ILE  18          HG11      ILE  18   0.649   3.228  -2.060
  147   HG21  ILE  18          HG21      ILE  18  -2.343   4.385  -0.319
  148   HG22  ILE  18          HG22      ILE  18  -2.768   5.674  -1.442
  149   HG23  ILE  18          HG23      ILE  18  -1.382   5.860  -0.375
  150   HD11  ILE  18          HD11      ILE  18   1.763   4.132  -0.102
  151   HD12  ILE  18          HD12      ILE  18   0.341   5.084   0.311
  152   HD13  ILE  18          HD13      ILE  18   1.274   5.473  -1.133
  153    HA   PRO  19           HA       PRO  19  -2.677   6.025  -3.717
  154    HB2  PRO  19           HB2      PRO  19  -3.729   7.270  -5.861
  155    HB3  PRO  19           HB1      PRO  19  -2.037   7.513  -5.383
  156    HG2  PRO  19           HG2      PRO  19  -3.167   5.817  -7.551
  157    HG3  PRO  19           HG1      PRO  19  -1.707   6.821  -7.546
  158    HD2  PRO  19           HD2      PRO  19  -1.709   4.074  -7.169
  159    HD3  PRO  19           HD1      PRO  19  -0.424   5.165  -6.620
  160    H    CYS  20           HN       CYS  20  -3.599   3.384  -5.587
  161    HA   CYS  20           HA       CYS  20  -6.314   3.673  -6.141
  162    HB2  CYS  20           HB2      CYS  20  -4.749   1.607  -6.429
  163    HB3  CYS  20           HB1      CYS  20  -5.288   1.173  -4.807
  164    H    LYS  21           HN       LYS  21  -4.717   3.312  -3.057
  165    HA   LYS  21           HA       LYS  21  -5.507   3.487  -0.881
  166    HB2  LYS  21           HB2      LYS  21  -7.281   5.198  -2.496
  167    HB3  LYS  21           HB1      LYS  21  -8.044   4.600  -1.026
  168    HG2  LYS  21           HG2      LYS  21  -6.196   5.440   0.323
  169    HG3  LYS  21           HG1      LYS  21  -5.329   5.939  -1.128
  170    HD2  LYS  21           HD2      LYS  21  -8.105   6.973  -0.777
  171    HD3  LYS  21           HD1      LYS  21  -6.852   7.651   0.264
  172    HE2  LYS  21           HE2      LYS  21  -6.714   7.500  -2.763
  173    HE3  LYS  21           HE1      LYS  21  -7.088   8.951  -1.833
  174    HZ1  LYS  21           HZ1      LYS  21  -4.921   9.308  -1.692
  175    HZ2  LYS  21           HZ2      LYS  21  -4.564   7.819  -2.428
  176    HZ3  LYS  21           HZ3      LYS  21  -4.773   7.909  -0.745
  177    H    HIS  22           HN       HIS  22  -6.032   1.186  -2.614
  178    HA   HIS  22           HA       HIS  22  -8.656   0.227  -1.648
  179    HB2  HIS  22           HB2      HIS  22  -6.647  -0.843  -3.624
  180    HB3  HIS  22           HB1      HIS  22  -7.958  -1.852  -3.011
  181    HD2  HIS  22           HD2      HIS  22  -9.258   1.703  -3.366
  182    HE1  HIS  22           HE1      HIS  22 -10.243  -0.235  -6.987
  183    HE2  HIS  22           HE2      HIS  22 -10.648   1.830  -5.569
  184    H    VAL  23           HN       VAL  23  -8.553  -2.207  -0.828
  185    HA   VAL  23           HA       VAL  23  -6.119  -2.585   0.849
  186    HB   VAL  23           HB       VAL  23  -7.434  -3.088   2.804
  187   HG11  VAL  23          HG11      VAL  23  -6.898  -0.746   2.470
  188   HG12  VAL  23          HG12      VAL  23  -8.514  -0.869   3.156
  189   HG13  VAL  23          HG13      VAL  23  -8.313  -0.531   1.443
  190   HG21  VAL  23          HG21      VAL  23  -9.635  -3.025   0.801
  191   HG22  VAL  23          HG22      VAL  23 -10.011  -2.433   2.420
  192   HG23  VAL  23          HG23      VAL  23  -9.414  -4.079   2.198
  193    H    PHE  24           HN       PHE  24  -5.685  -4.734   1.444
  194    HA   PHE  24           HA       PHE  24  -7.446  -6.918   0.629
  195    HB2  PHE  24           HB2      PHE  24  -4.771  -6.591  -0.767
  196    HB3  PHE  24           HB1      PHE  24  -5.901  -7.927  -0.977
  197    HD1  PHE  24           HD1      PHE  24  -8.179  -7.478  -1.951
  198    HD2  PHE  24           HD2      PHE  24  -5.050  -4.542  -1.929
  199    HE1  PHE  24           HE1      PHE  24  -9.371  -6.193  -3.694
  200    HE2  PHE  24           HE2      PHE  24  -6.245  -3.260  -3.674
  201    HZ   PHE  24           HZ       PHE  24  -8.399  -4.083  -4.577
  202    H    CYS  25           HN       CYS  25  -6.503  -9.019   1.335
  203    HA   CYS  25           HA       CYS  25  -5.338  -8.980   3.872
  204    HB2  CYS  25           HB2      CYS  25  -4.308 -11.302   2.926
  205    HB3  CYS  25           HB1      CYS  25  -6.006 -11.126   3.371
  206    H    TYR  26           HN       TYR  26  -3.500  -7.897   4.370
  207    HA   TYR  26           HA       TYR  26  -1.472  -7.077   2.666
  208    HB2  TYR  26           HB2      TYR  26  -1.751  -6.421   5.076
  209    HB3  TYR  26           HB1      TYR  26  -1.050  -7.971   5.524
  210    HD1  TYR  26           HD1      TYR  26  -0.187  -5.255   3.012
  211    HD2  TYR  26           HD2      TYR  26   1.154  -7.810   6.203
  212    HE1  TYR  26           HE1      TYR  26   2.082  -4.306   2.822
  213    HE2  TYR  26           HE2      TYR  26   3.427  -6.856   6.002
  214    HH   TYR  26           HH       TYR  26   4.786  -5.714   4.162
  215    H    ASP  27           HN       ASP  27  -2.144 -10.300   3.625
  216    HA   ASP  27           HA       ASP  27   0.559 -11.299   3.178
  217    HB2  ASP  27           HB2      ASP  27  -2.086 -12.453   3.847
  218    HB3  ASP  27           HB1      ASP  27  -1.030 -13.499   2.898
  219    H    CYS  28           HN       CYS  28  -2.475 -11.236   1.336
  220    HA   CYS  28           HA       CYS  28  -1.168 -12.397  -1.005
  221    HB2  CYS  28           HB2      CYS  28  -3.843 -10.973  -0.900
  222    HB3  CYS  28           HB1      CYS  28  -3.286 -12.093  -2.140
  223    H    ALA  29           HN       ALA  29  -1.608  -9.286   0.384
  224    HA   ALA  29           HA       ALA  29  -1.328  -7.736  -2.031
  225    HB1  ALA  29           HB1      ALA  29  -0.361  -6.744   0.634
  226    HB2  ALA  29           HB2      ALA  29  -2.086  -7.031   0.407
  227    HB3  ALA  29           HB3      ALA  29  -1.242  -5.874  -0.621
  228    H    ILE  30           HN       ILE  30   0.935  -9.029   0.384
  229    HA   ILE  30           HA       ILE  30   3.230  -7.832  -0.934
  230    HB   ILE  30           HB       ILE  30   4.555  -9.130   0.644
  231   HG12  ILE  30          HG12      ILE  30   1.977 -10.393   1.579
  232   HG13  ILE  30          HG11      ILE  30   3.112 -11.230   0.527
  233   HG21  ILE  30          HG21      ILE  30   2.698  -8.531   2.654
  234   HG22  ILE  30          HG22      ILE  30   2.352  -7.403   1.344
  235   HG23  ILE  30          HG23      ILE  30   3.969  -7.479   2.039
  236   HD11  ILE  30          HD11      ILE  30   3.195 -11.155   3.315
  237   HD12  ILE  30          HD12      ILE  30   4.457 -10.032   2.809
  238   HD13  ILE  30          HD13      ILE  30   4.486 -11.703   2.245
  239    H    LEU  31           HN       LEU  31   1.521 -10.921  -1.062
  240    HA   LEU  31           HA       LEU  31   3.549 -12.269  -2.625
  241    HB2  LEU  31           HB2      LEU  31   0.552 -12.689  -2.493
  242    HB3  LEU  31           HB1      LEU  31   1.644 -13.753  -3.367
  243    HG   LEU  31           HG       LEU  31   2.132 -13.120  -0.459
  244   HD11  LEU  31          HD11      LEU  31   0.944 -15.582  -0.398
  245   HD12  LEU  31          HD12      LEU  31  -0.026 -14.769  -1.624
  246   HD13  LEU  31          HD13      LEU  31   0.116 -14.076  -0.008
  247   HD21  LEU  31          HD21      LEU  31   2.646 -15.815  -1.512
  248   HD22  LEU  31          HD22      LEU  31   3.715 -14.741  -0.612
  249   HD23  LEU  31          HD23      LEU  31   3.554 -14.563  -2.357
  250    H    HIS  32           HN       HIS  32   0.775 -10.227  -3.419
  251    HA   HIS  32           HA       HIS  32   1.117 -10.472  -6.288
  252    HB2  HIS  32           HB2      HIS  32  -0.517  -8.807  -4.433
  253    HB3  HIS  32           HB1      HIS  32  -0.217  -8.144  -6.040
  254    HD1  HIS  32           HD1      HIS  32  -1.197  -9.432  -8.077
  255    HD2  HIS  32           HD2      HIS  32  -2.153 -11.139  -4.393
  256    HE1  HIS  32           HE1      HIS  32  -3.018 -11.137  -8.526
  257    HE2  HIS  32           HE2      HIS  32  -3.606 -12.181  -6.291
  258    H    GLU  33           HN       GLU  33   2.549  -8.519  -3.770
  259    HA   GLU  33           HA       GLU  33   3.593  -6.558  -5.652
  260    HB2  GLU  33           HB2      GLU  33   4.125  -5.357  -3.816
  261    HB3  GLU  33           HB1      GLU  33   3.237  -6.574  -2.908
  262    HG2  GLU  33           HG2      GLU  33   5.393  -7.863  -2.671
  263    HG3  GLU  33           HG1      GLU  33   6.228  -6.498  -3.418
  264    H    LYS  34           HN       LYS  34   4.785  -9.486  -4.056
  265    HA   LYS  34           HA       LYS  34   7.478  -9.142  -5.113
  266    HB2  LYS  34           HB2      LYS  34   8.020 -11.036  -3.928
  267    HB3  LYS  34           HB1      LYS  34   6.537 -10.623  -3.072
  268    HG2  LYS  34           HG2      LYS  34   5.321 -12.103  -4.782
  269    HG3  LYS  34           HG1      LYS  34   6.917 -12.694  -5.244
  270    HD2  LYS  34           HD2      LYS  34   5.827 -12.752  -2.415
  271    HD3  LYS  34           HD1      LYS  34   5.808 -14.126  -3.518
  272    HE2  LYS  34           HE2      LYS  34   8.350 -13.761  -3.739
  273    HE3  LYS  34           HE1      LYS  34   8.200 -12.728  -2.317
  274    HZ1  LYS  34           HZ1      LYS  34   8.737 -14.966  -1.661
  275    HZ2  LYS  34           HZ2      LYS  34   7.401 -15.582  -2.510
  276    HZ3  LYS  34           HZ3      LYS  34   7.164 -14.594  -1.148
  277    H    LYS  35           HN       LYS  35   4.462 -10.270  -6.297
  278    HA   LYS  35           HA       LYS  35   5.600 -11.968  -8.372
  279    HB2  LYS  35           HB2      LYS  35   3.219 -12.090  -7.292
  280    HB3  LYS  35           HB1      LYS  35   2.819 -10.844  -8.475
  281    HG2  LYS  35           HG2      LYS  35   2.346 -12.739  -9.718
  282    HG3  LYS  35           HG1      LYS  35   4.045 -12.515 -10.138
  283    HD2  LYS  35           HD2      LYS  35   4.420 -13.992  -7.959
  284    HD3  LYS  35           HD1      LYS  35   2.790 -14.548  -8.337
  285    HE2  LYS  35           HE2      LYS  35   4.127 -16.047  -9.549
  286    HE3  LYS  35           HE1      LYS  35   3.714 -14.834 -10.763
  287    HZ1  LYS  35           HZ1      LYS  35   5.801 -13.946 -10.725
  288    HZ2  LYS  35           HZ2      LYS  35   6.176 -15.570 -10.393
  289    HZ3  LYS  35           HZ3      LYS  35   6.116 -14.433  -9.132
  290    H    GLY  36           HN       GLY  36   4.400  -8.675  -8.106
  291    HA2  GLY  36           HA2      GLY  36   5.641  -8.088 -10.757
  292    HA3  GLY  36           HA1      GLY  36   4.002  -7.526 -10.420
  293    H    ASP  37           HN       ASP  37   4.498  -6.966  -7.623
  294    HA   ASP  37           HA       ASP  37   5.330  -5.219  -6.253
  295    HB2  ASP  37           HB2      ASP  37   7.525  -6.129  -7.646
  296    HB3  ASP  37           HB1      ASP  37   7.499  -4.414  -8.058
  297    H    LYS  38           HN       LYS  38   3.456  -4.758  -8.556
  298    HA   LYS  38           HA       LYS  38   3.434  -1.876  -8.443
  299    HB2  LYS  38           HB2      LYS  38   3.838  -1.525 -10.865
  300    HB3  LYS  38           HB1      LYS  38   5.263  -2.127 -10.020
  301    HG2  LYS  38           HG2      LYS  38   4.583  -4.463 -10.711
  302    HG3  LYS  38           HG1      LYS  38   3.340  -3.732 -11.722
  303    HD2  LYS  38           HD2      LYS  38   4.954  -3.700 -13.319
  304    HD3  LYS  38           HD1      LYS  38   5.570  -2.296 -12.442
  305    HE2  LYS  38           HE2      LYS  38   6.917  -3.866 -11.017
  306    HE3  LYS  38           HE1      LYS  38   6.415  -5.180 -12.081
  307    HZ1  LYS  38           HZ1      LYS  38   8.191  -2.908 -12.640
  308    HZ2  LYS  38           HZ2      LYS  38   7.286  -3.573 -13.915
  309    HZ3  LYS  38           HZ3      LYS  38   8.377  -4.544 -13.047
  310    H    MET  39           HN       MET  39   1.589  -4.228  -8.171
  311    HA   MET  39           HA       MET  39  -0.541  -3.111  -9.884
  312    HB2  MET  39           HB2      MET  39  -1.118  -5.197 -10.916
  313    HB3  MET  39           HB1      MET  39   0.618  -5.008 -11.127
  314    HG2  MET  39           HG2      MET  39   0.761  -6.323  -8.861
  315    HG3  MET  39           HG1      MET  39  -0.870  -6.850  -9.279
  316    HE1  MET  39           HE1      MET  39  -0.626  -9.036 -12.253
  317    HE2  MET  39           HE2      MET  39  -1.297  -7.422 -12.030
  318    HE3  MET  39           HE3      MET  39  -1.455  -8.619 -10.748
  319    H    CYS  40           HN       CYS  40  -2.244  -2.767  -8.571
  320    HA   CYS  40           HA       CYS  40  -2.462  -3.912  -5.948
  321    HB2  CYS  40           HB2      CYS  40  -3.607  -1.954  -5.898
  322    HB3  CYS  40           HB1      CYS  40  -3.997  -2.037  -7.613
  323    HA   PRO  41           HA       PRO  41  -4.154  -7.961  -6.970
  324    HB2  PRO  41           HB2      PRO  41  -5.819  -7.477  -4.541
  325    HB3  PRO  41           HB1      PRO  41  -4.844  -8.889  -4.981
  326    HG2  PRO  41           HG2      PRO  41  -4.046  -7.075  -3.167
  327    HG3  PRO  41           HG1      PRO  41  -2.922  -7.984  -4.189
  328    HD2  PRO  41           HD2      PRO  41  -3.622  -5.124  -4.292
  329    HD3  PRO  41           HD1      PRO  41  -2.216  -5.970  -4.973
  330    H    GLY  42           HN       GLY  42  -6.273  -5.213  -6.251
  331    HA2  GLY  42           HA2      GLY  42  -8.553  -6.587  -7.555
  332    HA3  GLY  42           HA1      GLY  42  -8.628  -5.041  -6.710
  333    H    CYS  43           HN       CYS  43  -7.092  -3.332  -7.811
  334    HA   CYS  43           HA       CYS  43  -8.111  -2.925 -10.460
  335    HB2  CYS  43           HB2      CYS  43  -5.845  -1.557  -8.994
  336    HB3  CYS  43           HB1      CYS  43  -6.566  -0.972 -10.495
  337    H    SER  44           HN       SER  44  -4.939  -3.875  -9.211
  338    HA   SER  44           HA       SER  44  -3.311  -5.238 -10.205
  339    HB2  SER  44           HB2      SER  44  -5.517  -6.140 -11.403
  340    HB3  SER  44           HB1      SER  44  -4.763  -5.391 -12.806
  341    HG   SER  44           HG       SER  44  -3.723  -7.394 -11.092
  342    H    ASP  45           HN       ASP  45  -2.731  -2.577 -10.218
  343    HA   ASP  45           HA       ASP  45  -0.873  -2.326 -12.325
  344    HB2  ASP  45           HB2      ASP  45  -3.549  -1.661 -13.150
  345    HB3  ASP  45           HB1      ASP  45  -2.540  -0.216 -13.201
  346    HA   PRO  46           HA       PRO  46  -1.169   1.922 -10.244
  347    HB2  PRO  46           HB2      PRO  46  -3.252   2.607  -8.679
  348    HB3  PRO  46           HB1      PRO  46  -3.347   2.634 -10.448
  349    HG2  PRO  46           HG2      PRO  46  -4.405   0.628  -8.530
  350    HG3  PRO  46           HG1      PRO  46  -5.108   1.232 -10.040
  351    HD2  PRO  46           HD2      PRO  46  -3.710  -1.177  -9.755
  352    HD3  PRO  46           HD1      PRO  46  -4.047  -0.360 -11.291
  353    H    VAL  47           HN       VAL  47   0.053  -0.312  -8.883
  354    HA   VAL  47           HA       VAL  47  -0.389   0.272  -6.000
  355    HB   VAL  47           HB       VAL  47   0.954  -1.889  -7.521
  356   HG11  VAL  47          HG11      VAL  47   2.879  -1.271  -6.249
  357   HG12  VAL  47          HG12      VAL  47   2.111  -2.561  -5.328
  358   HG13  VAL  47          HG13      VAL  47   1.900  -0.886  -4.829
  359   HG21  VAL  47          HG21      VAL  47  -1.319  -1.919  -6.346
  360   HG22  VAL  47          HG22      VAL  47  -0.405  -1.953  -4.840
  361   HG23  VAL  47          HG23      VAL  47  -0.230  -3.264  -6.005
  362    H    GLN  48           HN       GLN  48   0.769   1.911  -5.108
  363    HA   GLN  48           HA       GLN  48   3.361   2.688  -6.347
  364    HB2  GLN  48           HB2      GLN  48   1.679   4.487  -6.054
  365    HB3  GLN  48           HB1      GLN  48   1.667   4.176  -4.320
  366    HG2  GLN  48           HG2      GLN  48   3.430   5.554  -4.087
  367    HG3  GLN  48           HG1      GLN  48   4.386   4.481  -5.112
  368   HE21  GLN  48          HE21      GLN  48   2.436   7.436  -5.098
  369   HE22  GLN  48          HE22      GLN  48   2.874   7.941  -6.658
  370    H    ARG  49           HN       ARG  49   1.965   2.590  -3.068
  371    HA   ARG  49           HA       ARG  49   4.283   0.960  -2.191
  372    HB2  ARG  49           HB2      ARG  49   3.741   2.928  -0.156
  373    HB3  ARG  49           HB1      ARG  49   5.266   2.559  -0.955
  374    HG2  ARG  49           HG2      ARG  49   4.665   4.019  -2.830
  375    HG3  ARG  49           HG1      ARG  49   3.110   4.373  -2.074
  376    HD2  ARG  49           HD2      ARG  49   4.278   5.327  -0.122
  377    HD3  ARG  49           HD1      ARG  49   5.830   4.988  -0.890
  378    HE   ARG  49           HE       ARG  49   4.473   6.525  -2.762
  379   HH11  ARG  49          HH21      ARG  49   5.318   6.780   0.571
  380   HH12  ARG  49          HH22      ARG  49   5.442   8.507   0.545
  381   HH21  ARG  49          HH11      ARG  49   4.630   8.779  -2.816
  382   HH22  ARG  49          HH12      ARG  49   5.053   9.640  -1.373
  383    H    ILE  50           HN       ILE  50   3.487  -0.684  -0.974
  384    HA   ILE  50           HA       ILE  50   0.678  -0.563  -0.172
  385    HB   ILE  50           HB       ILE  50   2.536  -2.791   0.574
  386   HG12  ILE  50          HG12      ILE  50   1.381  -2.169  -2.152
  387   HG13  ILE  50          HG11      ILE  50   3.068  -2.426  -1.733
  388   HG21  ILE  50          HG21      ILE  50  -0.314  -2.828  -0.390
  389   HG22  ILE  50          HG22      ILE  50   0.111  -2.634   1.306
  390   HG23  ILE  50          HG23      ILE  50   0.549  -4.112   0.448
  391   HD11  ILE  50          HD11      ILE  50   2.459  -4.780  -1.040
  392   HD12  ILE  50          HD12      ILE  50   2.271  -4.456  -2.761
  393   HD13  ILE  50          HD13      ILE  50   0.856  -4.498  -1.721
  394    H    GLU  51           HN       GLU  51  -0.072  -0.601   1.888
  395    HA   GLU  51           HA       GLU  51   1.901  -0.466   4.104
  396    HB2  GLU  51           HB2      GLU  51  -0.379   1.496   3.840
  397    HB3  GLU  51           HB1      GLU  51   0.944   1.529   5.010
  398    HG2  GLU  51           HG2      GLU  51   2.546   1.706   3.098
  399    HG3  GLU  51           HG1      GLU  51   1.162   1.868   2.015
  400    H    GLN  52           HN       GLN  52   1.210  -1.363   5.967
  401    HA   GLN  52           HA       GLN  52  -1.255  -2.953   5.828
  402    HB2  GLN  52           HB2      GLN  52  -0.400  -4.190   7.611
  403    HB3  GLN  52           HB1      GLN  52   1.082  -3.641   6.828
  404    HG2  GLN  52           HG2      GLN  52   0.901  -1.591   8.416
  405    HG3  GLN  52           HG1      GLN  52  -0.213  -2.600   9.340
  406   HE21  GLN  52          HE21      GLN  52   0.657  -4.511  10.404
  407   HE22  GLN  52          HE22      GLN  52   2.329  -4.753  10.569
  408    H    CYS  53           HN       CYS  53  -3.022  -2.712   7.257
  409    HA   CYS  53           HA       CYS  53  -2.981  -0.410   9.117
  410    HB2  CYS  53           HB2      CYS  53  -4.293  -0.400   6.537
  411    HB3  CYS  53           HB1      CYS  53  -5.478  -0.232   7.832
  412    H    THR  54           HN       THR  54  -4.907  -0.422  10.560
  413    HA   THR  54           HA       THR  54  -5.601  -3.183  11.271
  414    HB   THR  54           HB       THR  54  -7.030  -1.295  12.862
  415    HG1  THR  54           HG1      THR  54  -4.655  -0.447  13.447
  416   HG21  THR  54          HG21      THR  54  -6.079  -3.495  13.552
  417   HG22  THR  54          HG22      THR  54  -5.608  -2.183  14.631
  418   HG23  THR  54          HG23      THR  54  -4.464  -2.798  13.440
  419    H    ARG  55           HN       ARG  55  -7.910  -3.761  11.682
  420    HA   ARG  55           HA       ARG  55  -9.540  -3.450   9.434
  421    HB2  ARG  55           HB2      ARG  55 -11.427  -3.850  11.329
  422    HB3  ARG  55           HB1      ARG  55 -10.377  -5.139  10.735
  423    HG2  ARG  55           HG2      ARG  55  -8.943  -4.998  12.600
  424    HG3  ARG  55           HG1      ARG  55  -9.524  -3.391  13.038
  425    HD2  ARG  55           HD2      ARG  55 -11.314  -5.827  13.082
  426    HD3  ARG  55           HD1      ARG  55 -10.377  -5.316  14.486
  427    HE   ARG  55           HE       ARG  55 -12.767  -3.999  13.449
  428   HH11  ARG  55          HH21      ARG  55  -9.802  -3.695  15.183
  429   HH12  ARG  55          HH22      ARG  55 -10.318  -2.310  16.085
  430   HH21  ARG  55          HH11      ARG  55 -13.457  -2.191  14.617
  431   HH22  ARG  55          HH12      ARG  55 -12.387  -1.458  15.765
  432    H    GLY  56           HN       GLY  56 -10.559  -1.995  12.520
  433    HA2  GLY  56           HA2      GLY  56 -12.110   0.016  11.146
  434    HA3  GLY  56           HA1      GLY  56 -11.778  -0.016  12.878
  435    H    SER  57           HN       SER  57  -9.139  -0.078  10.553
  436    HA   SER  57           HA       SER  57  -8.105   2.400  11.719
  437    HB2  SER  57           HB2      SER  57  -6.693   0.383  11.011
  438    HB3  SER  57           HB1      SER  57  -6.971   0.900   9.351
  439    HG   SER  57           HG       SER  57  -5.104   1.873  10.030
  440    H    LEU  58           HN       LEU  58  -9.997   1.479   9.012
  441    HA   LEU  58           HA       LEU  58  -9.624   4.185   7.802
  442    HB2  LEU  58           HB2      LEU  58 -10.812   1.914   6.259
  443    HB3  LEU  58           HB1      LEU  58  -9.919   3.314   5.678
  444    HG   LEU  58           HG       LEU  58  -8.720   0.981   7.205
  445   HD11  LEU  58          HD11      LEU  58  -9.389   0.404   4.910
  446   HD12  LEU  58          HD12      LEU  58  -7.631   0.491   5.037
  447   HD13  LEU  58          HD13      LEU  58  -8.528   1.813   4.294
  448   HD21  LEU  58          HD21      LEU  58  -7.115   2.530   7.669
  449   HD22  LEU  58          HD22      LEU  58  -7.760   3.678   6.498
  450   HD23  LEU  58          HD23      LEU  58  -6.688   2.385   5.966
  451    H    PHE  59           HN       PHE  59 -11.697   4.801   6.503
  452    HA   PHE  59           HA       PHE  59 -14.079   4.156   8.193
  453    HB2  PHE  59           HB2      PHE  59 -13.540   6.730   6.694
  454    HB3  PHE  59           HB1      PHE  59 -14.858   6.417   7.826
  455    HD1  PHE  59           HD2      PHE  59 -11.124   6.488   7.594
  456    HD2  PHE  59           HD1      PHE  59 -14.580   6.850  10.118
  457    HE1  PHE  59           HE2      PHE  59  -9.673   7.190   9.478
  458    HE2  PHE  59           HE1      PHE  59 -13.130   7.553  12.003
  459    HZ   PHE  59           HZ       PHE  59 -10.676   7.723  11.683
  460    H    MET  60           HN       MET  60 -15.507   2.948   7.058
  461    HA   MET  60           HA       MET  60 -15.380   2.798   4.146
  462    HB2  MET  60           HB2      MET  60 -17.311   1.573   6.135
  463    HB3  MET  60           HB1      MET  60 -17.264   1.193   4.413
  464    HG2  MET  60           HG2      MET  60 -14.629   1.016   5.678
  465    HG3  MET  60           HG1      MET  60 -15.801  -0.095   6.388
  466    HE1  MET  60           HE1      MET  60 -14.283  -2.710   4.220
  467    HE2  MET  60           HE2      MET  60 -14.725  -2.104   5.814
  468    HE3  MET  60           HE3      MET  60 -13.336  -1.419   4.974
  469    H    CYS  61           HN       CYS  61 -16.903   3.538   2.675
  470    HA   CYS  61           HA       CYS  61 -18.731   5.667   3.674
  471    HB2  CYS  61           HB2      CYS  61 -17.863   6.756   1.891
  472    HB3  CYS  61           HB1      CYS  61 -17.132   5.278   1.266
  473    H    SER  62           HN       SER  62 -20.949   5.509   3.397
  474    HA   SER  62           HA       SER  62 -22.016   3.210   1.834
  475    HB2  SER  62           HB2      SER  62 -22.903   3.844   4.661
  476    HB3  SER  62           HB1      SER  62 -23.461   2.514   3.650
  477    HG   SER  62           HG       SER  62 -21.818   1.907   5.164
  478    H    ILE  63           HN       ILE  63 -22.500   5.126   0.428
  479    HA   ILE  63           HA       ILE  63 -24.706   6.850   1.427
  480    HB   ILE  63           HB       ILE  63 -23.365   6.974  -1.278
  481   HG12  ILE  63          HG12      ILE  63 -21.570   7.103   0.325
  482   HG13  ILE  63          HG11      ILE  63 -21.912   8.747  -0.208
  483   HG21  ILE  63          HG21      ILE  63 -24.013   9.397  -1.034
  484   HG22  ILE  63          HG22      ILE  63 -24.882   8.960   0.436
  485   HG23  ILE  63          HG23      ILE  63 -25.385   8.292  -1.116
  486   HD11  ILE  63          HD11      ILE  63 -23.493   8.876   1.837
  487   HD12  ILE  63          HD12      ILE  63 -21.761   8.924   2.150
  488   HD13  ILE  63          HD13      ILE  63 -22.659   7.431   2.403
  489    H    VAL  64           HN       VAL  64 -24.073   5.254  -1.714
  490    HA   VAL  64           HA       VAL  64 -26.973   4.818  -2.033
  491    HB   VAL  64           HB       VAL  64 -24.685   4.086  -3.887
  492   HG11  VAL  64          HG11      VAL  64 -27.675   4.353  -4.328
  493   HG12  VAL  64          HG12      VAL  64 -26.758   2.846  -4.329
  494   HG13  VAL  64          HG13      VAL  64 -26.486   4.045  -5.594
  495   HG21  VAL  64          HG21      VAL  64 -25.682   6.178  -5.106
  496   HG22  VAL  64          HG22      VAL  64 -24.575   6.428  -3.756
  497   HG23  VAL  64          HG23      VAL  64 -26.315   6.591  -3.512
  498    H    GLN  65           HN       GLN  65 -24.369   2.578  -2.945
  499    HA   GLN  65           HA       GLN  65 -24.875   0.605  -0.950
  500    HB2  GLN  65           HB2      GLN  65 -26.890   0.762  -2.981
  501    HB3  GLN  65           HB1      GLN  65 -25.994  -0.741  -3.203
  502    HG2  GLN  65           HG2      GLN  65 -26.371  -1.362  -0.878
  503    HG3  GLN  65           HG1      GLN  65 -27.158   0.184  -0.560
  504   HE21  GLN  65          HE21      GLN  65 -29.382   0.363  -1.069
  505   HE22  GLN  65          HE22      GLN  65 -30.277  -0.863  -1.827
  506    H    GLY  66           HN       GLY  66 -23.768   1.493  -4.135
  507    HA2  GLY  66           HA2      GLY  66 -22.087  -0.936  -4.341
  508    HA3  GLY  66           HA1      GLY  66 -22.259   0.306  -5.581
  509    H    CYS  67           HN       CYS  67 -21.759   2.577  -3.918
  510    HA   CYS  67           HA       CYS  67 -18.996   2.891  -4.106
  511    HB2  CYS  67           HB2      CYS  67 -21.037   4.481  -3.238
  512    HB3  CYS  67           HB1      CYS  67 -20.185   4.177  -1.726
  513    H    LYS  68           HN       LYS  68 -17.310   2.861  -2.453
  514    HA   LYS  68           HA       LYS  68 -17.659   1.670   0.125
  515    HB2  LYS  68           HB2      LYS  68 -17.748  -0.208  -1.964
  516    HB3  LYS  68           HB1      LYS  68 -16.112  -0.329  -1.320
  517    HG2  LYS  68           HG2      LYS  68 -17.025  -0.578   0.961
  518    HG3  LYS  68           HG1      LYS  68 -18.663  -0.469   0.315
  519    HD2  LYS  68           HD2      LYS  68 -17.514  -2.433  -1.260
  520    HD3  LYS  68           HD1      LYS  68 -16.815  -2.745   0.328
  521    HE2  LYS  68           HE2      LYS  68 -18.944  -3.966   0.040
  522    HE3  LYS  68           HE1      LYS  68 -19.066  -2.766   1.328
  523    HZ1  LYS  68           HZ1      LYS  68 -20.370  -1.398   0.058
  524    HZ2  LYS  68           HZ2      LYS  68 -20.892  -2.919  -0.491
  525    HZ3  LYS  68           HZ3      LYS  68 -19.794  -2.010  -1.415
  526    H    ARG  69           HN       ARG  69 -16.205   3.804  -1.367
  527    HA   ARG  69           HA       ARG  69 -13.385   3.062  -1.315
  528    HB2  ARG  69           HB2      ARG  69 -14.977   5.377  -2.090
  529    HB3  ARG  69           HB1      ARG  69 -13.524   5.850  -1.209
  530    HG2  ARG  69           HG2      ARG  69 -12.105   4.670  -2.744
  531    HG3  ARG  69           HG1      ARG  69 -13.485   3.879  -3.508
  532    HD2  ARG  69           HD2      ARG  69 -14.025   5.721  -4.751
  533    HD3  ARG  69           HD1      ARG  69 -13.549   6.845  -3.478
  534    HE   ARG  69           HE       ARG  69 -11.866   5.961  -5.651
  535   HH11  ARG  69          HH21      ARG  69 -11.952   6.780  -2.303
  536   HH12  ARG  69          HH22      ARG  69 -10.299   7.290  -2.248
  537   HH21  ARG  69          HH11      ARG  69  -9.706   6.624  -5.599
  538   HH22  ARG  69          HH12      ARG  69  -9.027   7.202  -4.115
  539    H    THR  70           HN       THR  70 -12.111   3.003   0.467
  540    HA   THR  70           HA       THR  70 -13.182   4.079   3.008
  541    HB   THR  70           HB       THR  70 -10.686   2.983   3.535
  542    HG1  THR  70           HG1      THR  70 -11.797   0.973   2.071
  543   HG21  THR  70          HG21      THR  70 -13.412   1.667   3.557
  544   HG22  THR  70          HG22      THR  70 -12.703   2.623   4.857
  545   HG23  THR  70          HG23      THR  70 -11.994   1.069   4.417
  546    H    TYR  71           HN       TYR  71 -11.331   5.053   4.469
  547    HA   TYR  71           HA       TYR  71  -9.303   6.572   3.027
  548    HB2  TYR  71           HB2      TYR  71 -11.637   7.983   4.349
  549    HB3  TYR  71           HB1      TYR  71 -10.163   8.784   3.801
  550    HD1  TYR  71           HD1      TYR  71  -9.558   8.787   1.380
  551    HD2  TYR  71           HD2      TYR  71 -13.316   7.257   2.789
  552    HE1  TYR  71           HE1      TYR  71 -10.461   8.883  -0.927
  553    HE2  TYR  71           HE2      TYR  71 -14.219   7.352   0.483
  554    HH   TYR  71           HH       TYR  71 -12.501   8.928  -2.098
  555    H    LEU  72           HN       LEU  72  -8.474   8.314   4.888
  556    HA   LEU  72           HA       LEU  72  -8.106   6.639   7.333
  557    HB2  LEU  72           HB2      LEU  72  -6.089   8.692   6.972
  558    HB3  LEU  72           HB1      LEU  72  -5.885   6.953   7.170
  559    HG   LEU  72           HG       LEU  72  -6.594   8.342   4.563
  560   HD11  LEU  72          HD11      LEU  72  -4.054   7.722   5.894
  561   HD12  LEU  72          HD12      LEU  72  -4.376   8.786   4.526
  562   HD13  LEU  72          HD13      LEU  72  -4.165   7.055   4.264
  563   HD21  LEU  72          HD21      LEU  72  -7.128   6.280   3.811
  564   HD22  LEU  72          HD22      LEU  72  -6.884   5.632   5.431
  565   HD23  LEU  72          HD23      LEU  72  -5.542   5.683   4.290
  566    H    SER  73           HN       SER  73  -9.523   9.471   6.212
  567    HA   SER  73           HA       SER  73  -9.795  10.427   8.997
  568    HB2  SER  73           HB2      SER  73  -8.955  12.600   8.621
  569    HB3  SER  73           HB1      SER  73  -7.774  11.558   7.833
  570    HG   SER  73           HG       SER  73  -8.342  12.359   5.972
  571    H    GLN  74           HN       GLN  74 -11.857  11.084   9.325
  572    HA   GLN  74           HA       GLN  74 -13.945  10.779   7.545
  573    HB2  GLN  74           HB2      GLN  74 -13.706  12.912   9.683
  574    HB3  GLN  74           HB1      GLN  74 -15.215  12.404   8.923
  575    HG2  GLN  74           HG2      GLN  74 -13.429  10.329  10.141
  576    HG3  GLN  74           HG1      GLN  74 -14.456  11.303  11.193
  577   HE21  GLN  74          HE21      GLN  74 -14.551   9.050   8.422
  578   HE22  GLN  74          HE22      GLN  74 -16.171   8.596   8.639
  579    H    ARG  75           HN       ARG  75 -11.713  13.474   7.771
  580    HA   ARG  75           HA       ARG  75 -13.118  15.342   6.144
  581    HB2  ARG  75           HB2      ARG  75 -11.057  15.802   7.523
  582    HB3  ARG  75           HB1      ARG  75 -10.117  14.945   6.302
  583    HG2  ARG  75           HG2      ARG  75 -11.603  16.702   4.778
  584    HG3  ARG  75           HG1      ARG  75 -11.255  17.646   6.224
  585    HD2  ARG  75           HD2      ARG  75  -8.829  16.908   5.970
  586    HD3  ARG  75           HD1      ARG  75  -9.278  16.300   4.376
  587    HE   ARG  75           HE       ARG  75  -9.404  18.537   3.612
  588   HH11  ARG  75          HH21      ARG  75  -9.307  18.314   7.051
  589   HH12  ARG  75          HH22      ARG  75  -9.115  20.019   7.288
  590   HH21  ARG  75          HH11      ARG  75  -9.153  20.764   3.902
  591   HH22  ARG  75          HH12      ARG  75  -9.029  21.407   5.506
  592    H    ASP  76           HN       ASP  76 -11.085  12.584   5.344
  593    HA   ASP  76           HA       ASP  76 -11.044  13.252   2.492
  594    HB2  ASP  76           HB2      ASP  76  -9.926  11.080   4.214
  595    HB3  ASP  76           HB1      ASP  76 -10.158  10.737   2.501
  596    H    LEU  77           HN       LEU  77 -12.748  11.064   4.669
  597    HA   LEU  77           HA       LEU  77 -14.191   9.733   2.531
  598    HB2  LEU  77           HB2      LEU  77 -13.876   8.574   4.642
  599    HB3  LEU  77           HB1      LEU  77 -14.607   9.909   5.524
  600    HG   LEU  77           HG       LEU  77 -16.325   8.874   3.386
  601   HD11  LEU  77          HD11      LEU  77 -15.629   7.107   5.743
  602   HD12  LEU  77          HD12      LEU  77 -15.229   6.766   4.061
  603   HD13  LEU  77          HD13      LEU  77 -16.912   6.805   4.579
  604   HD21  LEU  77          HD21      LEU  77 -16.801   9.092   6.368
  605   HD22  LEU  77          HD22      LEU  77 -18.000   9.157   5.075
  606   HD23  LEU  77          HD23      LEU  77 -16.868  10.490   5.295
  607    H    GLN  78           HN       GLN  78 -14.576  12.544   4.577
  608    HA   GLN  78           HA       GLN  78 -17.348  12.967   3.871
  609    HB2  GLN  78           HB2      GLN  78 -16.270  14.018   5.892
  610    HB3  GLN  78           HB1      GLN  78 -15.320  15.024   4.797
  611    HG2  GLN  78           HG2      GLN  78 -17.256  16.301   5.496
  612    HG3  GLN  78           HG1      GLN  78 -17.480  15.854   3.804
  613   HE21  GLN  78          HE21      GLN  78 -19.087  14.178   3.309
  614   HE22  GLN  78          HE22      GLN  78 -20.246  13.711   4.456
  615    H    ALA  79           HN       ALA  79 -14.204  13.805   2.674
  616    HA   ALA  79           HA       ALA  79 -15.142  15.604   0.605
  617    HB1  ALA  79           HB1      ALA  79 -12.567  14.006   0.838
  618    HB2  ALA  79           HB2      ALA  79 -12.803  15.670   1.374
  619    HB3  ALA  79           HB3      ALA  79 -12.863  15.281  -0.346
  620    H    HIS  80           HN       HIS  80 -15.054  12.161   1.058
  621    HA   HIS  80           HA       HIS  80 -15.024  11.511  -1.776
  622    HB2  HIS  80           HB2      HIS  80 -14.387   9.798  -0.189
  623    HB3  HIS  80           HB1      HIS  80 -15.948   9.905   0.614
  624    HD1  HIS  80           HD1      HIS  80 -14.410   8.828  -2.676
  625    HD2  HIS  80           HD2      HIS  80 -17.998   8.454  -0.597
  626    HE1  HIS  80           HE1      HIS  80 -15.816   7.162  -3.968
  627    H    ILE  81           HN       ILE  81 -17.549  11.771   0.680
  628    HA   ILE  81           HA       ILE  81 -19.794  11.203  -0.943
  629    HB   ILE  81           HB       ILE  81 -19.955  13.404   1.067
  630   HG12  ILE  81          HG12      ILE  81 -18.428  11.964   2.160
  631   HG13  ILE  81          HG11      ILE  81 -20.001  11.653   2.878
  632   HG21  ILE  81          HG21      ILE  81 -22.008  12.635   0.025
  633   HG22  ILE  81          HG22      ILE  81 -22.004  12.144   1.718
  634   HG23  ILE  81          HG23      ILE  81 -21.644  10.966   0.459
  635   HD11  ILE  81          HD11      ILE  81 -19.417   9.474   2.490
  636   HD12  ILE  81          HD12      ILE  81 -18.304   9.898   1.192
  637   HD13  ILE  81          HD13      ILE  81 -20.036   9.828   0.879
  638    H    ASN  82           HN       ASN  82 -18.328  14.352  -0.201
  639    HA   ASN  82           HA       ASN  82 -20.074  15.782  -1.987
  640    HB2  ASN  82           HB2      ASN  82 -17.348  16.780  -1.213
  641    HB3  ASN  82           HB1      ASN  82 -18.849  17.687  -1.403
  642   HD21  ASN  82          HD21      ASN  82 -16.863  17.122   0.993
  643   HD22  ASN  82          HD22      ASN  82 -17.923  16.750   2.266
  644    H    HIS  83           HN       HIS  83 -17.219  13.890  -2.468
  645    HA   HIS  83           HA       HIS  83 -16.583  15.282  -4.966
  646    HB2  HIS  83           HB2      HIS  83 -15.357  12.952  -3.537
  647    HB3  HIS  83           HB1      HIS  83 -14.890  13.355  -5.184
  648    HD1  HIS  83           HD1      HIS  83 -12.496  14.010  -4.206
  649    HD2  HIS  83           HD2      HIS  83 -15.653  16.418  -2.928
  650    HE1  HIS  83           HE1      HIS  83 -11.451  16.090  -3.200
  651    HE2  HIS  83           HE2      HIS  83 -13.364  17.562  -2.420
  652    H    ARG  84           HN       ARG  84 -18.343  12.350  -4.055
  653    HA   ARG  84           HA       ARG  84 -18.766  11.874  -6.977
  654    HB2  ARG  84           HB2      ARG  84 -18.862   9.555  -5.108
  655    HB3  ARG  84           HB1      ARG  84 -18.397   9.610  -6.802
  656    HG2  ARG  84           HG2      ARG  84 -16.688  10.851  -4.619
  657    HG3  ARG  84           HG1      ARG  84 -16.510   9.184  -5.140
  658    HD2  ARG  84           HD2      ARG  84 -16.622  11.060  -7.388
  659    HD3  ARG  84           HD1      ARG  84 -15.257  11.347  -6.311
  660    HE   ARG  84           HE       ARG  84 -15.291   8.582  -6.745
  661   HH11  ARG  84          HH21      ARG  84 -15.099  11.487  -8.592
  662   HH12  ARG  84          HH22      ARG  84 -14.138  10.781  -9.849
  663   HH21  ARG  84          HH11      ARG  84 -14.037   7.644  -8.375
  664   HH22  ARG  84          HH12      ARG  84 -13.536   8.605  -9.725
  665    H    HIS  85           HN       HIS  85 -20.279  12.245  -3.909
  666    HA   HIS  85           HA       HIS  85 -22.838  11.218  -5.046
  667    HB2  HIS  85           HB2      HIS  85 -22.263  11.793  -2.141
  668    HB3  HIS  85           HB1      HIS  85 -23.590  10.848  -2.816
  669    HD1  HIS  85           HD1      HIS  85 -23.204   8.411  -2.529
  670    HD2  HIS  85           HD2      HIS  85 -19.616  10.452  -3.113
  671    HE1  HIS  85           HE1      HIS  85 -21.368   6.667  -2.465
  672    H    MET  86           HN       MET  86 -21.431  13.848  -3.150
  673    HA   MET  86           HA       MET  86 -22.280  16.000  -2.677
  674    HB2  MET  86           HB2      MET  86 -21.645  15.698  -5.313
  675    HB3  MET  86           HB1      MET  86 -23.317  16.252  -5.428
  676    HG2  MET  86           HG2      MET  86 -22.638  18.069  -3.728
  677    HG3  MET  86           HG1      MET  86 -20.974  17.631  -4.115
  678    HE1  MET  86           HE1      MET  86 -21.583  20.341  -4.349
  679    HE2  MET  86           HE2      MET  86 -23.290  20.341  -4.786
  680    HE3  MET  86           HE3      MET  86 -22.107  21.053  -5.881
  681    H    ARG  87           HN       ARG  87 -24.177  13.865  -2.147
  682    HA   ARG  87           HA       ARG  87 -26.569  15.448  -1.881
  683    HB2  ARG  87           HB2      ARG  87 -27.024  15.047  -4.175
  684    HB3  ARG  87           HB1      ARG  87 -26.463  13.377  -4.078
  685    HG2  ARG  87           HG2      ARG  87 -28.388  12.653  -2.965
  686    HG3  ARG  87           HG1      ARG  87 -28.782  14.273  -2.388
  687    HD2  ARG  87           HD2      ARG  87 -29.625  14.951  -4.468
  688    HD3  ARG  87           HD1      ARG  87 -28.759  13.685  -5.339
  689    HE   ARG  87           HE       ARG  87 -30.526  12.188  -4.831
  690   HH11  ARG  87          HH21      ARG  87 -30.669  15.097  -2.986
  691   HH12  ARG  87          HH22      ARG  87 -32.242  14.768  -2.341
  692   HH21  ARG  87          HH11      ARG  87 -32.580  11.742  -3.999
  693   HH22  ARG  87          HH12      ARG  87 -33.324  12.867  -2.914
  694    H    ALA  88           HN       ALA  88 -27.228  14.733   0.084
  695    HA   ALA  88           HA       ALA  88 -26.456  12.188   1.173
  696    HB1  ALA  88           HB1      ALA  88 -27.962  14.530   2.043
  697    HB2  ALA  88           HB2      ALA  88 -26.996  13.406   2.998
  698    HB3  ALA  88           HB3      ALA  88 -28.680  13.031   2.632
  699    H    GLY  89           HN       GLY  89 -27.958  10.434   1.783
  700    HA2  GLY  89           HA2      GLY  89 -29.795   8.997   1.407
  701    HA3  GLY  89           HA1      GLY  89 -30.576  10.297   0.507
  Start of MODEL   11
    1    H1   VAL   1           HT1      VAL   1 -10.160  -7.668  11.229
    2    H2   VAL   1           HT2      VAL   1 -11.061  -7.073   9.918
    3    H3   VAL   1           HT3      VAL   1  -9.373  -7.217   9.796
    4    HA   VAL   1           HA       VAL   1  -9.716  -9.183   8.845
    5    HB   VAL   1           HB       VAL   1 -10.012 -11.026  10.356
    6   HG11  VAL   1          HG11      VAL   1  -8.122  -9.168  10.740
    7   HG12  VAL   1          HG12      VAL   1  -8.275 -10.568  11.803
    8   HG13  VAL   1          HG13      VAL   1  -8.951  -9.012  12.288
    9   HG21  VAL   1          HG21      VAL   1 -10.838 -10.375  12.761
   10   HG22  VAL   1          HG22      VAL   1 -12.026 -10.626  11.484
   11   HG23  VAL   1          HG23      VAL   1 -11.557  -8.989  11.942
   12    H    HIS   2           HN       HIS   2 -11.171 -10.194   7.568
   13    HA   HIS   2           HA       HIS   2 -13.927 -10.599   8.234
   14    HB2  HIS   2           HB2      HIS   2 -14.174  -8.206   8.017
   15    HB3  HIS   2           HB1      HIS   2 -13.267  -8.200   6.504
   16    HD1  HIS   2           HD1      HIS   2 -15.532  -7.090   5.506
   17    HD2  HIS   2           HD2      HIS   2 -15.809 -11.087   6.662
   18    HE1  HIS   2           HE1      HIS   2 -17.631  -8.007   4.422
   19    HE2  HIS   2           HE2      HIS   2 -17.810 -10.438   5.121
   20    H    PHE   3           HN       PHE   3 -13.168  -9.407   5.059
   21    HA   PHE   3           HA       PHE   3 -12.377 -11.999   3.994
   22    HB2  PHE   3           HB2      PHE   3 -15.064 -11.706   4.370
   23    HB3  PHE   3           HB1      PHE   3 -14.887 -11.103   2.725
   24    HD1  PHE   3           HD2      PHE   3 -13.786 -13.957   4.900
   25    HD2  PHE   3           HD1      PHE   3 -14.856 -12.634   0.956
   26    HE1  PHE   3           HE2      PHE   3 -13.622 -16.288   4.074
   27    HE2  PHE   3           HE1      PHE   3 -14.694 -14.966   0.131
   28    HZ   PHE   3           HZ       PHE   3 -14.078 -16.792   1.690
   29    H    CYS   4           HN       CYS   4 -10.738 -11.164   2.745
   30    HA   CYS   4           HA       CYS   4 -10.580  -8.696   1.468
   31    HB2  CYS   4           HB2      CYS   4  -8.720 -10.296   1.495
   32    HB3  CYS   4           HB1      CYS   4  -9.604 -11.361   0.402
   33    H    ASP   5           HN       ASP   5 -11.265  -7.880  -0.549
   34    HA   ASP   5           HA       ASP   5 -13.657  -9.220  -1.625
   35    HB2  ASP   5           HB2      ASP   5 -12.446  -6.519  -2.276
   36    HB3  ASP   5           HB1      ASP   5 -14.008  -7.108  -2.844
   37    H    LYS   6           HN       LYS   6 -10.333  -8.548  -2.574
   38    HA   LYS   6           HA       LYS   6 -10.916  -9.338  -5.358
   39    HB2  LYS   6           HB2      LYS   6  -8.862  -7.814  -4.019
   40    HB3  LYS   6           HB1      LYS   6  -8.133  -9.091  -4.990
   41    HG2  LYS   6           HG2      LYS   6  -8.393  -7.120  -6.381
   42    HG3  LYS   6           HG1      LYS   6  -9.537  -8.342  -6.931
   43    HD2  LYS   6           HD2      LYS   6 -10.941  -6.944  -4.961
   44    HD3  LYS   6           HD1      LYS   6 -10.050  -5.691  -5.822
   45    HE2  LYS   6           HE2      LYS   6 -12.122  -5.955  -6.990
   46    HE3  LYS   6           HE1      LYS   6 -10.895  -6.743  -7.982
   47    HZ1  LYS   6           HZ1      LYS   6 -12.451  -8.248  -5.972
   48    HZ2  LYS   6           HZ2      LYS   6 -11.588  -8.843  -7.309
   49    HZ3  LYS   6           HZ3      LYS   6 -13.047  -8.001  -7.541
   50    H    CYS   7           HN       CYS   7  -9.153 -10.543  -2.530
   51    HA   CYS   7           HA       CYS   7  -8.429 -12.991  -4.009
   52    HB2  CYS   7           HB2      CYS   7  -7.862 -12.393  -1.105
   53    HB3  CYS   7           HB1      CYS   7  -7.009 -13.510  -2.171
   54    H    GLY   8           HN       GLY   8 -10.644 -11.899  -1.517
   55    HA2  GLY   8           HA2      GLY   8 -12.627 -13.001  -0.816
   56    HA3  GLY   8           HA1      GLY   8 -12.158 -14.397  -1.788
   57    H    LEU   9           HN       LEU   9  -9.619 -13.309   0.182
   58    HA   LEU   9           HA       LEU   9 -10.127 -15.546   2.101
   59    HB2  LEU   9           HB2      LEU   9  -7.701 -14.375   0.847
   60    HB3  LEU   9           HB1      LEU   9  -7.538 -14.849   2.538
   61    HG   LEU   9           HG       LEU   9  -8.368 -17.103   1.998
   62   HD11  LEU   9          HD11      LEU   9  -8.842 -15.790  -0.638
   63   HD12  LEU   9          HD12      LEU   9  -9.803 -17.008   0.198
   64   HD13  LEU   9          HD13      LEU   9  -8.335 -17.478  -0.656
   65   HD21  LEU   9          HD21      LEU   9  -5.981 -16.842   1.878
   66   HD22  LEU   9          HD22      LEU   9  -6.087 -16.062   0.299
   67   HD23  LEU   9          HD23      LEU   9  -6.456 -17.779   0.461
   68    HA   PRO  10           HA       PRO  10 -10.758 -12.771   5.463
   69    HB2  PRO  10           HB2      PRO  10  -8.914 -13.759   7.328
   70    HB3  PRO  10           HB1      PRO  10 -10.593 -14.290   7.127
   71    HG2  PRO  10           HG2      PRO  10  -8.090 -15.542   6.166
   72    HG3  PRO  10           HG1      PRO  10  -9.620 -16.291   6.643
   73    HD2  PRO  10           HD2      PRO  10  -8.868 -16.061   4.038
   74    HD3  PRO  10           HD1      PRO  10 -10.572 -16.010   4.543
   75    H    ILE  11           HN       ILE  11  -9.943 -10.814   6.159
   76    HA   ILE  11           HA       ILE  11  -7.291 -10.072   5.099
   77    HB   ILE  11           HB       ILE  11  -9.626  -8.481   6.155
   78   HG12  ILE  11          HG12      ILE  11  -8.359  -8.617   3.415
   79   HG13  ILE  11          HG11      ILE  11  -9.725  -9.623   3.900
   80   HG21  ILE  11          HG21      ILE  11  -6.818  -7.726   5.671
   81   HG22  ILE  11          HG22      ILE  11  -8.048  -6.900   6.618
   82   HG23  ILE  11          HG23      ILE  11  -7.992  -6.690   4.869
   83   HD11  ILE  11          HD11      ILE  11 -10.198  -6.860   4.602
   84   HD12  ILE  11          HD12      ILE  11 -11.166  -7.936   3.597
   85   HD13  ILE  11          HD13      ILE  11  -9.842  -7.013   2.884
   86    H    LYS  12           HN       LYS  12  -6.308 -11.392   6.892
   87    HA   LYS  12           HA       LYS  12  -6.452 -10.869   9.629
   88    HB2  LYS  12           HB2      LYS  12  -4.938 -12.560   8.536
   89    HB3  LYS  12           HB1      LYS  12  -3.857 -11.236   8.102
   90    HG2  LYS  12           HG2      LYS  12  -2.894 -11.468  10.126
   91    HG3  LYS  12           HG1      LYS  12  -4.394 -10.865  10.831
   92    HD2  LYS  12           HD2      LYS  12  -3.910 -12.991  11.868
   93    HD3  LYS  12           HD1      LYS  12  -5.274 -13.231  10.776
   94    HE2  LYS  12           HE2      LYS  12  -4.098 -14.857   9.757
   95    HE3  LYS  12           HE1      LYS  12  -2.959 -13.627   9.211
   96    HZ1  LYS  12           HZ1      LYS  12  -2.836 -15.185  11.734
   97    HZ2  LYS  12           HZ2      LYS  12  -1.820 -13.870  11.383
   98    HZ3  LYS  12           HZ3      LYS  12  -1.763 -15.271  10.423
   99    H    VAL  13           HN       VAL  13  -4.843  -8.993   7.109
  100    HA   VAL  13           HA       VAL  13  -4.812  -6.658   8.913
  101    HB   VAL  13           HB       VAL  13  -2.392  -7.139   7.267
  102   HG11  VAL  13          HG11      VAL  13  -2.692  -5.023   8.475
  103   HG12  VAL  13          HG12      VAL  13  -1.329  -5.919   9.146
  104   HG13  VAL  13          HG13      VAL  13  -2.877  -5.905   9.991
  105   HG21  VAL  13          HG21      VAL  13  -1.326  -8.347   9.198
  106   HG22  VAL  13          HG22      VAL  13  -2.587  -9.282   8.395
  107   HG23  VAL  13          HG23      VAL  13  -2.924  -8.481   9.931
  108    H    TYR  14           HN       TYR  14  -5.103  -4.754   7.716
  109    HA   TYR  14           HA       TYR  14  -6.149  -5.087   5.047
  110    HB2  TYR  14           HB2      TYR  14  -5.633  -2.746   6.828
  111    HB3  TYR  14           HB1      TYR  14  -5.960  -2.474   5.123
  112    HD1  TYR  14           HD2      TYR  14  -7.296  -4.935   7.622
  113    HD2  TYR  14           HD1      TYR  14  -8.174  -1.796   4.828
  114    HE1  TYR  14           HE2      TYR  14  -9.717  -5.236   8.047
  115    HE2  TYR  14           HE1      TYR  14 -10.595  -2.089   5.259
  116    HH   TYR  14           HH       TYR  14 -12.075  -4.130   6.092
  117    H    GLY  15           HN       GLY  15  -4.786  -5.579   3.433
  118    HA2  GLY  15           HA2      GLY  15  -2.048  -4.644   3.320
  119    HA3  GLY  15           HA1      GLY  15  -2.901  -5.494   2.025
  120    H    ARG  16           HN       ARG  16  -2.520  -2.361   3.582
  121    HA   ARG  16           HA       ARG  16  -4.152  -0.840   1.808
  122    HB2  ARG  16           HB2      ARG  16  -2.933  -0.171   4.036
  123    HB3  ARG  16           HB1      ARG  16  -1.599   0.232   2.970
  124    HG2  ARG  16           HG2      ARG  16  -2.720   2.269   3.042
  125    HG3  ARG  16           HG1      ARG  16  -3.390   1.541   1.589
  126    HD2  ARG  16           HD2      ARG  16  -5.466   1.574   2.455
  127    HD3  ARG  16           HD1      ARG  16  -4.948   0.740   3.912
  128    HE   ARG  16           HE       ARG  16  -5.529   3.520   3.750
  129   HH11  ARG  16          HH21      ARG  16  -3.126   1.340   4.919
  130   HH12  ARG  16          HH22      ARG  16  -2.660   2.353   6.242
  131   HH21  ARG  16          HH11      ARG  16  -4.934   4.850   5.477
  132   HH22  ARG  16          HH12      ARG  16  -3.680   4.338   6.557
  133    H    MET  17           HN       MET  17  -3.723   0.145  -0.140
  134    HA   MET  17           HA       MET  17  -1.038  -0.337  -1.361
  135    HB2  MET  17           HB2      MET  17  -3.658  -0.469  -2.875
  136    HB3  MET  17           HB1      MET  17  -2.060  -0.939  -3.444
  137    HG2  MET  17           HG2      MET  17  -2.234  -2.529  -1.273
  138    HG3  MET  17           HG1      MET  17  -3.945  -2.403  -1.681
  139    HE1  MET  17           HE1      MET  17  -0.513  -4.050  -4.186
  140    HE2  MET  17           HE2      MET  17  -0.680  -4.315  -2.455
  141    HE3  MET  17           HE3      MET  17  -0.485  -2.677  -3.071
  142    H    ILE  18           HN       ILE  18  -0.164   1.550  -2.087
  143    HA   ILE  18           HA       ILE  18  -1.987   3.861  -2.607
  144    HB   ILE  18           HB       ILE  18   0.467   5.000  -2.259
  145   HG12  ILE  18          HG12      ILE  18   0.368   2.667  -0.342
  146   HG13  ILE  18          HG11      ILE  18   1.413   2.772  -1.758
  147   HG21  ILE  18          HG21      ILE  18  -0.286   5.555   0.018
  148   HG22  ILE  18          HG22      ILE  18  -1.433   4.217  -0.019
  149   HG23  ILE  18          HG23      ILE  18  -1.661   5.603  -1.083
  150   HD11  ILE  18          HD11      ILE  18   1.900   3.833   0.828
  151   HD12  ILE  18          HD12      ILE  18   1.649   5.202  -0.253
  152   HD13  ILE  18          HD13      ILE  18   2.899   4.012  -0.614
  153    HA   PRO  19           HA       PRO  19  -1.313   5.990  -3.336
  154    HB2  PRO  19           HB2      PRO  19  -1.990   7.505  -5.464
  155    HB3  PRO  19           HB1      PRO  19  -0.317   7.392  -4.883
  156    HG2  PRO  19           HG2      PRO  19  -1.597   6.096  -7.223
  157    HG3  PRO  19           HG1      PRO  19   0.049   6.716  -7.033
  158    HD2  PRO  19           HD2      PRO  19  -0.689   4.024  -6.839
  159    HD3  PRO  19           HD1      PRO  19   0.824   4.721  -6.224
  160    H    CYS  20           HN       CYS  20  -2.725   3.641  -5.266
  161    HA   CYS  20           HA       CYS  20  -5.313   4.654  -5.808
  162    HB2  CYS  20           HB2      CYS  20  -4.708   2.528  -6.732
  163    HB3  CYS  20           HB1      CYS  20  -4.357   1.864  -5.136
  164    H    LYS  21           HN       LYS  21  -3.929   3.332  -2.849
  165    HA   LYS  21           HA       LYS  21  -4.650   3.612  -0.632
  166    HB2  LYS  21           HB2      LYS  21  -5.788   5.766  -1.847
  167    HB3  LYS  21           HB1      LYS  21  -7.232   4.879  -1.361
  168    HG2  LYS  21           HG2      LYS  21  -6.415   4.785   0.955
  169    HG3  LYS  21           HG1      LYS  21  -4.944   5.635   0.482
  170    HD2  LYS  21           HD2      LYS  21  -7.507   6.935  -0.269
  171    HD3  LYS  21           HD1      LYS  21  -7.114   6.913   1.450
  172    HE2  LYS  21           HE2      LYS  21  -5.048   8.053   1.093
  173    HE3  LYS  21           HE1      LYS  21  -5.131   7.803  -0.651
  174    HZ1  LYS  21           HZ1      LYS  21  -7.051   9.430   0.925
  175    HZ2  LYS  21           HZ2      LYS  21  -7.039   9.240  -0.764
  176    HZ3  LYS  21           HZ3      LYS  21  -5.769  10.061   0.010
  177    H    HIS  22           HN       HIS  22  -5.354   1.425  -2.485
  178    HA   HIS  22           HA       HIS  22  -8.033   0.601  -1.535
  179    HB2  HIS  22           HB2      HIS  22  -6.326  -0.031  -3.808
  180    HB3  HIS  22           HB1      HIS  22  -6.915  -1.486  -3.015
  181    HD2  HIS  22           HD2      HIS  22  -9.976  -0.476  -2.270
  182    HE1  HIS  22           HE1      HIS  22 -10.304   0.328  -6.403
  183    HE2  HIS  22           HE2      HIS  22 -11.606  -0.024  -4.255
  184    H    VAL  23           HN       VAL  23  -8.222  -1.697  -0.634
  185    HA   VAL  23           HA       VAL  23  -5.765  -2.480   0.878
  186    HB   VAL  23           HB       VAL  23  -7.186  -3.009   2.830
  187   HG11  VAL  23          HG11      VAL  23  -6.487  -0.961   3.441
  188   HG12  VAL  23          HG12      VAL  23  -8.024  -0.341   2.847
  189   HG13  VAL  23          HG13      VAL  23  -6.614  -0.357   1.796
  190   HG21  VAL  23          HG21      VAL  23  -9.309  -3.414   1.805
  191   HG22  VAL  23          HG22      VAL  23  -9.326  -1.817   1.056
  192   HG23  VAL  23          HG23      VAL  23  -9.511  -1.974   2.803
  193    H    PHE  24           HN       PHE  24  -5.517  -4.693   1.291
  194    HA   PHE  24           HA       PHE  24  -7.613  -6.599   0.494
  195    HB2  PHE  24           HB2      PHE  24  -4.918  -6.762  -0.870
  196    HB3  PHE  24           HB1      PHE  24  -6.342  -7.748  -1.186
  197    HD1  PHE  24           HD2      PHE  24  -8.447  -6.592  -2.068
  198    HD2  PHE  24           HD1      PHE  24  -4.583  -4.741  -1.996
  199    HE1  PHE  24           HE2      PHE  24  -9.205  -4.954  -3.763
  200    HE2  PHE  24           HE1      PHE  24  -5.333  -3.103  -3.686
  201    HZ   PHE  24           HZ       PHE  24  -7.638  -3.209  -4.586
  202    H    CYS  25           HN       CYS  25  -6.739  -8.926   0.949
  203    HA   CYS  25           HA       CYS  25  -5.722  -9.043   3.571
  204    HB2  CYS  25           HB2      CYS  25  -4.756 -11.389   2.508
  205    HB3  CYS  25           HB1      CYS  25  -6.405 -11.162   3.088
  206    H    TYR  26           HN       TYR  26  -3.866  -8.081   4.188
  207    HA   TYR  26           HA       TYR  26  -1.698  -7.324   2.621
  208    HB2  TYR  26           HB2      TYR  26  -2.016  -6.685   4.995
  209    HB3  TYR  26           HB1      TYR  26  -1.591  -8.324   5.470
  210    HD1  TYR  26           HD1      TYR  26  -0.097  -5.787   3.078
  211    HD2  TYR  26           HD2      TYR  26   0.525  -8.456   6.395
  212    HE1  TYR  26           HE1      TYR  26   2.289  -5.171   3.128
  213    HE2  TYR  26           HE2      TYR  26   2.918  -7.836   6.434
  214    HH   TYR  26           HH       TYR  26   4.262  -5.531   4.068
  215    H    ASP  27           HN       ASP  27  -2.557 -10.523   3.562
  216    HA   ASP  27           HA       ASP  27   0.096 -11.654   3.176
  217    HB2  ASP  27           HB2      ASP  27  -2.513 -12.611   3.975
  218    HB3  ASP  27           HB1      ASP  27  -1.858 -13.652   2.710
  219    H    CYS  28           HN       CYS  28  -2.764 -11.086   1.235
  220    HA   CYS  28           HA       CYS  28  -1.627 -12.422  -1.105
  221    HB2  CYS  28           HB2      CYS  28  -3.658 -11.883  -2.202
  222    HB3  CYS  28           HB1      CYS  28  -4.146 -12.159  -0.530
  223    H    ALA  29           HN       ALA  29  -1.771  -9.217   0.268
  224    HA   ALA  29           HA       ALA  29  -1.080  -7.811  -2.138
  225    HB1  ALA  29           HB1      ALA  29  -1.011  -5.935  -0.775
  226    HB2  ALA  29           HB2      ALA  29  -0.191  -6.792   0.532
  227    HB3  ALA  29           HB3      ALA  29  -1.922  -7.008   0.288
  228    H    ILE  30           HN       ILE  30   0.795  -9.387   0.424
  229    HA   ILE  30           HA       ILE  30   3.319  -8.501  -0.760
  230    HB   ILE  30           HB       ILE  30   4.355  -9.795   1.010
  231   HG12  ILE  30          HG12      ILE  30   1.552 -10.793   1.597
  232   HG13  ILE  30          HG11      ILE  30   2.861 -11.775   0.949
  233   HG21  ILE  30          HG21      ILE  30   3.846  -8.078   2.354
  234   HG22  ILE  30          HG22      ILE  30   2.284  -8.804   2.719
  235   HG23  ILE  30          HG23      ILE  30   2.451  -7.721   1.340
  236   HD11  ILE  30          HD11      ILE  30   3.487 -12.231   3.056
  237   HD12  ILE  30          HD12      ILE  30   2.314 -11.083   3.701
  238   HD13  ILE  30          HD13      ILE  30   3.924 -10.532   3.238
  239    H    LEU  31           HN       LEU  31   1.295 -11.406  -0.742
  240    HA   LEU  31           HA       LEU  31   3.314 -13.008  -2.099
  241    HB2  LEU  31           HB2      LEU  31   0.400 -13.354  -1.493
  242    HB3  LEU  31           HB1      LEU  31   1.165 -14.416  -2.669
  243    HG   LEU  31           HG       LEU  31   2.515 -13.957  -0.033
  244   HD11  LEU  31          HD11      LEU  31  -0.033 -15.442  -0.512
  245   HD12  LEU  31          HD12      LEU  31   0.518 -14.596   0.934
  246   HD13  LEU  31          HD13      LEU  31   1.164 -16.190   0.545
  247   HD21  LEU  31          HD21      LEU  31   2.261 -16.587  -1.434
  248   HD22  LEU  31          HD22      LEU  31   3.638 -15.910  -0.562
  249   HD23  LEU  31          HD23      LEU  31   3.263 -15.350  -2.192
  250    H    HIS  32           HN       HIS  32   0.934 -10.664  -3.080
  251    HA   HIS  32           HA       HIS  32   0.915 -11.548  -5.869
  252    HB2  HIS  32           HB2      HIS  32  -0.205  -9.193  -4.372
  253    HB3  HIS  32           HB1      HIS  32  -0.112  -9.147  -6.131
  254    HD1  HIS  32           HD1      HIS  32  -2.423  -9.668  -6.939
  255    HD2  HIS  32           HD2      HIS  32  -1.254 -12.220  -3.854
  256    HE1  HIS  32           HE1      HIS  32  -4.272 -11.383  -6.687
  257    HE2  HIS  32           HE2      HIS  32  -3.571 -12.940  -4.811
  258    H    GLU  33           HN       GLU  33   2.450  -8.962  -3.972
  259    HA   GLU  33           HA       GLU  33   3.877  -7.909  -6.280
  260    HB2  GLU  33           HB2      GLU  33   4.687  -6.296  -4.844
  261    HB3  GLU  33           HB1      GLU  33   3.277  -6.818  -3.928
  262    HG2  GLU  33           HG2      GLU  33   4.839  -8.512  -2.793
  263    HG3  GLU  33           HG1      GLU  33   6.167  -7.581  -3.488
  264    H    LYS  34           HN       LYS  34   4.517 -10.360  -3.843
  265    HA   LYS  34           HA       LYS  34   7.358 -10.537  -4.492
  266    HB2  LYS  34           HB2      LYS  34   5.467 -12.242  -2.864
  267    HB3  LYS  34           HB1      LYS  34   7.130 -12.737  -3.174
  268    HG2  LYS  34           HG2      LYS  34   8.019 -10.840  -2.045
  269    HG3  LYS  34           HG1      LYS  34   6.456 -10.025  -2.028
  270    HD2  LYS  34           HD2      LYS  34   5.643 -11.313  -0.288
  271    HD3  LYS  34           HD1      LYS  34   6.656 -12.697  -0.703
  272    HE2  LYS  34           HE2      LYS  34   8.569 -11.755   0.303
  273    HE3  LYS  34           HE1      LYS  34   7.884 -10.130   0.293
  274    HZ1  LYS  34           HZ1      LYS  34   6.102 -11.191   1.807
  275    HZ2  LYS  34           HZ2      LYS  34   7.608 -10.770   2.471
  276    HZ3  LYS  34           HZ3      LYS  34   7.273 -12.389   2.078
  277    H    LYS  35           HN       LYS  35   4.369 -12.058  -5.526
  278    HA   LYS  35           HA       LYS  35   5.708 -14.182  -6.983
  279    HB2  LYS  35           HB2      LYS  35   2.875 -13.172  -6.869
  280    HB3  LYS  35           HB1      LYS  35   3.358 -14.376  -8.063
  281    HG2  LYS  35           HG2      LYS  35   4.040 -15.921  -6.357
  282    HG3  LYS  35           HG1      LYS  35   3.882 -14.694  -5.099
  283    HD2  LYS  35           HD2      LYS  35   1.635 -14.979  -4.936
  284    HD3  LYS  35           HD1      LYS  35   1.434 -15.108  -6.684
  285    HE2  LYS  35           HE2      LYS  35   2.511 -17.307  -4.894
  286    HE3  LYS  35           HE1      LYS  35   0.868 -17.233  -5.528
  287    HZ1  LYS  35           HZ1      LYS  35   2.041 -18.590  -7.005
  288    HZ2  LYS  35           HZ2      LYS  35   3.397 -17.566  -7.027
  289    HZ3  LYS  35           HZ3      LYS  35   1.955 -17.090  -7.791
  290    H    GLY  36           HN       GLY  36   5.411 -10.904  -7.524
  291    HA2  GLY  36           HA2      GLY  36   6.462  -9.876  -9.466
  292    HA3  GLY  36           HA1      GLY  36   5.996 -11.281 -10.425
  293    H    ASP  37           HN       ASP  37   3.877  -9.614  -8.163
  294    HA   ASP  37           HA       ASP  37   2.367  -8.427 -10.430
  295    HB2  ASP  37           HB2      ASP  37   1.472 -10.735  -9.510
  296    HB3  ASP  37           HB1      ASP  37   0.861  -9.737  -8.190
  297    H    LYS  38           HN       LYS  38   3.925  -6.819  -9.043
  298    HA   LYS  38           HA       LYS  38   2.859  -5.816  -6.564
  299    HB2  LYS  38           HB2      LYS  38   4.218  -3.693  -7.438
  300    HB3  LYS  38           HB1      LYS  38   5.049  -5.133  -6.847
  301    HG2  LYS  38           HG2      LYS  38   5.599  -5.863  -8.994
  302    HG3  LYS  38           HG1      LYS  38   4.286  -4.956  -9.746
  303    HD2  LYS  38           HD2      LYS  38   6.382  -3.388  -8.319
  304    HD3  LYS  38           HD1      LYS  38   6.828  -4.116  -9.862
  305    HE2  LYS  38           HE2      LYS  38   4.243  -2.605  -9.638
  306    HE3  LYS  38           HE1      LYS  38   5.754  -1.716  -9.825
  307    HZ1  LYS  38           HZ1      LYS  38   5.870  -2.280 -11.953
  308    HZ2  LYS  38           HZ2      LYS  38   4.283  -2.874 -11.826
  309    HZ3  LYS  38           HZ3      LYS  38   5.605  -3.921 -11.619
  310    H    MET  39           HN       MET  39   1.134  -5.980  -9.187
  311    HA   MET  39           HA       MET  39   0.272  -3.165  -9.362
  312    HB2  MET  39           HB2      MET  39   0.163  -5.470 -11.087
  313    HB3  MET  39           HB1      MET  39  -1.462  -4.823 -10.857
  314    HG2  MET  39           HG2      MET  39  -0.668  -2.577 -11.469
  315    HG3  MET  39           HG1      MET  39   0.966  -3.207 -11.681
  316    HE1  MET  39           HE1      MET  39  -0.854  -1.609 -13.965
  317    HE2  MET  39           HE2      MET  39  -0.078  -2.457 -15.300
  318    HE3  MET  39           HE3      MET  39   0.870  -1.998 -13.888
  319    H    CYS  40           HN       CYS  40  -1.553  -2.403  -8.348
  320    HA   CYS  40           HA       CYS  40  -2.755  -3.597  -6.170
  321    HB2  CYS  40           HB2      CYS  40  -3.164  -1.267  -6.772
  322    HB3  CYS  40           HB1      CYS  40  -4.066  -1.773  -8.199
  323    HA   PRO  41           HA       PRO  41  -4.609  -7.162  -8.398
  324    HB2  PRO  41           HB2      PRO  41  -5.895  -7.510  -5.729
  325    HB3  PRO  41           HB1      PRO  41  -5.054  -8.700  -6.740
  326    HG2  PRO  41           HG2      PRO  41  -3.931  -7.653  -4.555
  327    HG3  PRO  41           HG1      PRO  41  -2.987  -8.075  -5.992
  328    HD2  PRO  41           HD2      PRO  41  -3.761  -5.389  -4.977
  329    HD3  PRO  41           HD1      PRO  41  -2.346  -5.872  -5.936
  330    H    GLY  42           HN       GLY  42  -6.110  -4.511  -6.746
  331    HA2  GLY  42           HA2      GLY  42  -8.806  -5.269  -7.764
  332    HA3  GLY  42           HA1      GLY  42  -8.474  -3.978  -6.616
  333    H    CYS  43           HN       CYS  43  -6.592  -2.442  -7.870
  334    HA   CYS  43           HA       CYS  43  -8.163  -1.367 -10.124
  335    HB2  CYS  43           HB2      CYS  43  -5.741  -0.221  -8.710
  336    HB3  CYS  43           HB1      CYS  43  -6.732   0.619  -9.902
  337    H    SER  44           HN       SER  44  -5.096  -2.911  -9.489
  338    HA   SER  44           HA       SER  44  -3.616  -3.923 -11.008
  339    HB2  SER  44           HB2      SER  44  -4.364  -4.434 -13.123
  340    HB3  SER  44           HB1      SER  44  -5.906  -3.996 -12.397
  341    HG   SER  44           HG       SER  44  -5.038  -2.962 -14.505
  342    H    ASP  45           HN       ASP  45  -3.005  -1.478  -9.897
  343    HA   ASP  45           HA       ASP  45  -1.577  -0.110 -12.129
  344    HB2  ASP  45           HB2      ASP  45  -3.448   0.989 -10.177
  345    HB3  ASP  45           HB1      ASP  45  -1.884   1.804 -10.128
  346    HA   PRO  46           HA       PRO  46   2.171  -0.709  -9.916
  347    HB2  PRO  46           HB2      PRO  46   3.219   1.890  -9.876
  348    HB3  PRO  46           HB1      PRO  46   3.415   0.713 -11.188
  349    HG2  PRO  46           HG2      PRO  46   1.552   3.005 -10.964
  350    HG3  PRO  46           HG1      PRO  46   2.339   2.317 -12.394
  351    HD2  PRO  46           HD2      PRO  46  -0.287   1.891 -11.847
  352    HD3  PRO  46           HD1      PRO  46   0.720   0.675 -12.667
  353    H    VAL  47           HN       VAL  47   1.357  -1.179  -7.802
  354    HA   VAL  47           HA       VAL  47   0.409   0.758  -5.945
  355    HB   VAL  47           HB       VAL  47   0.739  -0.905  -4.249
  356   HG11  VAL  47          HG11      VAL  47  -0.459  -1.465  -6.815
  357   HG12  VAL  47          HG12      VAL  47  -0.988  -1.972  -5.222
  358   HG13  VAL  47          HG13      VAL  47   0.163  -2.957  -6.117
  359   HG21  VAL  47          HG21      VAL  47   2.815  -1.890  -6.164
  360   HG22  VAL  47          HG22      VAL  47   1.982  -3.080  -5.165
  361   HG23  VAL  47          HG23      VAL  47   2.880  -1.766  -4.406
  362    H    GLN  48           HN       GLN  48   1.613   2.554  -5.457
  363    HA   GLN  48           HA       GLN  48   4.354   2.936  -5.729
  364    HB2  GLN  48           HB2      GLN  48   2.938   4.826  -5.215
  365    HB3  GLN  48           HB1      GLN  48   2.459   4.110  -3.674
  366    HG2  GLN  48           HG2      GLN  48   4.384   4.743  -2.633
  367    HG3  GLN  48           HG1      GLN  48   5.376   4.414  -4.055
  368   HE21  GLN  48          HE21      GLN  48   4.874   6.073  -5.963
  369   HE22  GLN  48          HE22      GLN  48   4.732   7.697  -5.490
  370    H    ARG  49           HN       ARG  49   2.655   2.065  -2.737
  371    HA   ARG  49           HA       ARG  49   4.732   0.165  -2.073
  372    HB2  ARG  49           HB2      ARG  49   6.079   1.491  -0.861
  373    HB3  ARG  49           HB1      ARG  49   5.031   2.868  -1.170
  374    HG2  ARG  49           HG2      ARG  49   3.642   2.275   0.770
  375    HG3  ARG  49           HG1      ARG  49   4.639   0.845   1.062
  376    HD2  ARG  49           HD2      ARG  49   5.883   3.582   0.931
  377    HD3  ARG  49           HD1      ARG  49   5.148   2.997   2.424
  378    HE   ARG  49           HE       ARG  49   6.920   0.990   1.436
  379   HH11  ARG  49          HH21      ARG  49   6.868   4.170   2.767
  380   HH12  ARG  49          HH22      ARG  49   8.427   4.029   3.508
  381   HH21  ARG  49          HH11      ARG  49   8.955   0.787   2.396
  382   HH22  ARG  49          HH12      ARG  49   9.609   2.114   3.298
  383    H    ILE  50           HN       ILE  50   3.844  -1.408  -0.820
  384    HA   ILE  50           HA       ILE  50   1.051  -1.053  -0.029
  385    HB   ILE  50           HB       ILE  50   2.640  -3.485   0.684
  386   HG12  ILE  50          HG12      ILE  50   1.632  -2.810  -2.097
  387   HG13  ILE  50          HG11      ILE  50   3.320  -2.945  -1.624
  388   HG21  ILE  50          HG21      ILE  50  -0.135  -3.170  -0.470
  389   HG22  ILE  50          HG22      ILE  50   0.205  -3.137   1.260
  390   HG23  ILE  50          HG23      ILE  50   0.543  -4.589   0.323
  391   HD11  ILE  50          HD11      ILE  50   2.587  -5.015  -2.687
  392   HD12  ILE  50          HD12      ILE  50   1.275  -5.179  -1.526
  393   HD13  ILE  50          HD13      ILE  50   2.950  -5.308  -0.989
  394    H    GLU  51           HN       GLU  51   0.301  -1.110   2.053
  395    HA   GLU  51           HA       GLU  51   2.315  -1.201   4.239
  396    HB2  GLU  51           HB2      GLU  51   0.208   0.951   4.197
  397    HB3  GLU  51           HB1      GLU  51   1.646   0.843   5.212
  398    HG2  GLU  51           HG2      GLU  51   3.051   1.004   3.157
  399    HG3  GLU  51           HG1      GLU  51   1.582   1.274   2.219
  400    H    GLN  52           HN       GLN  52   1.419  -1.611   6.319
  401    HA   GLN  52           HA       GLN  52  -1.016  -3.281   6.144
  402    HB2  GLN  52           HB2      GLN  52   1.205  -3.025   8.171
  403    HB3  GLN  52           HB1      GLN  52  -0.268  -3.930   8.517
  404    HG2  GLN  52           HG2      GLN  52   0.206  -5.572   6.953
  405    HG3  GLN  52           HG1      GLN  52   1.174  -4.487   5.954
  406   HE21  GLN  52          HE21      GLN  52   1.244  -6.499   8.883
  407   HE22  GLN  52          HE22      GLN  52   2.933  -6.488   9.056
  408    H    CYS  53           HN       CYS  53  -2.908  -2.733   7.143
  409    HA   CYS  53           HA       CYS  53  -2.881  -0.446   9.056
  410    HB2  CYS  53           HB2      CYS  53  -3.878  -0.318   6.445
  411    HB3  CYS  53           HB1      CYS  53  -5.304  -0.519   7.461
  412    H    THR  54           HN       THR  54  -4.623  -0.473  10.598
  413    HA   THR  54           HA       THR  54  -5.514  -3.188  11.241
  414    HB   THR  54           HB       THR  54  -6.748  -1.330  12.977
  415    HG1  THR  54           HG1      THR  54  -4.336  -0.496  13.412
  416   HG21  THR  54          HG21      THR  54  -4.177  -2.911  13.262
  417   HG22  THR  54          HG22      THR  54  -5.801  -3.516  13.590
  418   HG23  THR  54          HG23      THR  54  -5.117  -2.237  14.594
  419    H    ARG  55           HN       ARG  55  -7.799  -3.688  11.649
  420    HA   ARG  55           HA       ARG  55  -9.521  -3.169   9.532
  421    HB2  ARG  55           HB2      ARG  55 -10.004  -4.938  11.116
  422    HB3  ARG  55           HB1      ARG  55 -10.226  -3.763  12.414
  423    HG2  ARG  55           HG2      ARG  55 -12.302  -3.129  11.672
  424    HG3  ARG  55           HG1      ARG  55 -11.883  -3.369   9.975
  425    HD2  ARG  55           HD2      ARG  55 -13.561  -5.028  11.035
  426    HD3  ARG  55           HD1      ARG  55 -12.230  -5.703  10.097
  427    HE   ARG  55           HE       ARG  55 -11.421  -6.677  12.082
  428   HH11  ARG  55          HH21      ARG  55 -13.567  -4.054  12.714
  429   HH12  ARG  55          HH22      ARG  55 -13.574  -4.298  14.429
  430   HH21  ARG  55          HH11      ARG  55 -11.419  -7.012  14.318
  431   HH22  ARG  55          HH12      ARG  55 -12.358  -5.973  15.337
  432    H    GLY  56           HN       GLY  56 -10.237  -1.761  12.729
  433    HA2  GLY  56           HA2      GLY  56 -11.845   0.322  11.569
  434    HA3  GLY  56           HA1      GLY  56 -11.299   0.268  13.244
  435    H    SER  57           HN       SER  57  -8.996   0.176  10.569
  436    HA   SER  57           HA       SER  57  -7.853   2.694  11.601
  437    HB2  SER  57           HB2      SER  57  -5.911   2.164  10.313
  438    HB3  SER  57           HB1      SER  57  -6.456   0.642  11.014
  439    HG   SER  57           HG       SER  57  -5.963   0.618   8.705
  440    H    LEU  58           HN       LEU  58  -9.832   1.598   9.013
  441    HA   LEU  58           HA       LEU  58  -9.485   4.223   7.616
  442    HB2  LEU  58           HB2      LEU  58 -10.628   1.804   6.261
  443    HB3  LEU  58           HB1      LEU  58  -9.831   3.204   5.554
  444    HG   LEU  58           HG       LEU  58  -8.460   1.068   7.214
  445   HD11  LEU  58          HD11      LEU  58  -9.189   0.307   4.968
  446   HD12  LEU  58          HD12      LEU  58  -7.432   0.408   5.093
  447   HD13  LEU  58          HD13      LEU  58  -8.330   1.668   4.246
  448   HD21  LEU  58          HD21      LEU  58  -6.536   2.455   5.828
  449   HD22  LEU  58          HD22      LEU  58  -6.956   2.757   7.512
  450   HD23  LEU  58          HD23      LEU  58  -7.670   3.741   6.234
  451    H    PHE  59           HN       PHE  59 -11.551   4.736   6.286
  452    HA   PHE  59           HA       PHE  59 -13.933   4.205   8.017
  453    HB2  PHE  59           HB2      PHE  59 -13.323   6.646   6.328
  454    HB3  PHE  59           HB1      PHE  59 -14.763   6.414   7.321
  455    HD1  PHE  59           HD2      PHE  59 -11.024   6.456   7.539
  456    HD2  PHE  59           HD1      PHE  59 -14.758   7.073   9.572
  457    HE1  PHE  59           HE2      PHE  59  -9.805   7.316   9.520
  458    HE2  PHE  59           HE1      PHE  59 -13.538   7.933  11.552
  459    HZ   PHE  59           HZ       PHE  59 -11.062   8.055  11.526
  460    H    MET  60           HN       MET  60 -15.413   2.950   7.003
  461    HA   MET  60           HA       MET  60 -15.269   2.573   4.094
  462    HB2  MET  60           HB2      MET  60 -16.552   1.208   6.385
  463    HB3  MET  60           HB1      MET  60 -17.449   1.141   4.867
  464    HG2  MET  60           HG2      MET  60 -15.651   0.097   3.722
  465    HG3  MET  60           HG1      MET  60 -14.500   0.504   4.996
  466    HE1  MET  60           HE1      MET  60 -14.308  -2.338   4.074
  467    HE2  MET  60           HE2      MET  60 -14.297  -3.173   5.625
  468    HE3  MET  60           HE3      MET  60 -13.491  -1.615   5.466
  469    H    CYS  61           HN       CYS  61 -16.866   3.164   2.622
  470    HA   CYS  61           HA       CYS  61 -18.744   5.274   3.558
  471    HB2  CYS  61           HB2      CYS  61 -17.401   5.978   1.695
  472    HB3  CYS  61           HB1      CYS  61 -17.728   4.484   0.816
  473    H    SER  62           HN       SER  62 -20.982   5.071   3.254
  474    HA   SER  62           HA       SER  62 -21.989   2.576   1.978
  475    HB2  SER  62           HB2      SER  62 -23.611   2.396   3.959
  476    HB3  SER  62           HB1      SER  62 -21.945   1.913   4.261
  477    HG   SER  62           HG       SER  62 -21.587   3.990   5.135
  478    H    ILE  63           HN       ILE  63 -22.481   4.347   0.365
  479    HA   ILE  63           HA       ILE  63 -24.870   5.965   1.135
  480    HB   ILE  63           HB       ILE  63 -22.932   6.200  -1.181
  481   HG12  ILE  63          HG12      ILE  63 -22.464   6.998   1.308
  482   HG13  ILE  63          HG11      ILE  63 -22.007   8.005  -0.063
  483   HG21  ILE  63          HG21      ILE  63 -24.261   8.389  -1.546
  484   HG22  ILE  63          HG22      ILE  63 -25.527   7.620  -0.587
  485   HG23  ILE  63          HG23      ILE  63 -24.996   6.885  -2.099
  486   HD11  ILE  63          HD11      ILE  63 -24.709   8.279   1.263
  487   HD12  ILE  63          HD12      ILE  63 -23.886   9.434   0.219
  488   HD13  ILE  63          HD13      ILE  63 -23.297   9.149   1.855
  489    H    VAL  64           HN       VAL  64 -23.804   4.618  -1.992
  490    HA   VAL  64           HA       VAL  64 -26.591   3.729  -2.470
  491    HB   VAL  64           HB       VAL  64 -25.363   3.090  -4.758
  492   HG11  VAL  64          HG11      VAL  64 -26.349   5.725  -3.710
  493   HG12  VAL  64          HG12      VAL  64 -27.086   4.657  -4.903
  494   HG13  VAL  64          HG13      VAL  64 -25.687   5.638  -5.343
  495   HG21  VAL  64          HG21      VAL  64 -23.461   4.446  -5.228
  496   HG22  VAL  64          HG22      VAL  64 -23.137   3.736  -3.647
  497   HG23  VAL  64          HG23      VAL  64 -23.691   5.407  -3.767
  498    H    GLN  65           HN       GLN  65 -24.238   2.409  -0.793
  499    HA   GLN  65           HA       GLN  65 -23.616   0.206  -0.279
  500    HB2  GLN  65           HB2      GLN  65 -26.279   0.140  -0.591
  501    HB3  GLN  65           HB1      GLN  65 -25.831  -0.900  -1.943
  502    HG2  GLN  65           HG2      GLN  65 -25.186  -1.283   0.986
  503    HG3  GLN  65           HG1      GLN  65 -26.090  -2.362  -0.076
  504   HE21  GLN  65          HE21      GLN  65 -24.856  -3.602  -1.694
  505   HE22  GLN  65          HE22      GLN  65 -23.180  -3.812  -1.531
  506    H    GLY  66           HN       GLY  66 -22.308   1.356  -2.484
  507    HA2  GLY  66           HA2      GLY  66 -21.681  -1.094  -4.026
  508    HA3  GLY  66           HA1      GLY  66 -22.153   0.333  -4.950
  509    H    CYS  67           HN       CYS  67 -20.910   2.398  -3.769
  510    HA   CYS  67           HA       CYS  67 -18.166   2.077  -4.551
  511    HB2  CYS  67           HB2      CYS  67 -18.175   4.331  -4.443
  512    HB3  CYS  67           HB1      CYS  67 -19.865   4.223  -3.950
  513    H    LYS  68           HN       LYS  68 -16.276   2.094  -3.190
  514    HA   LYS  68           HA       LYS  68 -16.660   1.707  -0.289
  515    HB2  LYS  68           HB2      LYS  68 -16.851  -0.556  -1.577
  516    HB3  LYS  68           HB1      LYS  68 -15.107  -0.394  -1.788
  517    HG2  LYS  68           HG2      LYS  68 -14.943  -0.048   0.721
  518    HG3  LYS  68           HG1      LYS  68 -16.640  -0.519   0.819
  519    HD2  LYS  68           HD2      LYS  68 -15.492  -2.492  -0.780
  520    HD3  LYS  68           HD1      LYS  68 -14.277  -2.194   0.464
  521    HE2  LYS  68           HE2      LYS  68 -16.006  -2.480   2.212
  522    HE3  LYS  68           HE1      LYS  68 -17.205  -2.810   0.963
  523    HZ1  LYS  68           HZ1      LYS  68 -16.409  -4.862   0.619
  524    HZ2  LYS  68           HZ2      LYS  68 -15.750  -4.691   2.176
  525    HZ3  LYS  68           HZ3      LYS  68 -14.790  -4.397   0.806
  526    H    ARG  69           HN       ARG  69 -15.404   3.811  -1.675
  527    HA   ARG  69           HA       ARG  69 -12.524   3.316  -1.757
  528    HB2  ARG  69           HB2      ARG  69 -14.287   5.728  -2.126
  529    HB3  ARG  69           HB1      ARG  69 -12.545   5.925  -1.934
  530    HG2  ARG  69           HG2      ARG  69 -13.139   5.760  -4.318
  531    HG3  ARG  69           HG1      ARG  69 -12.166   4.374  -3.823
  532    HD2  ARG  69           HD2      ARG  69 -14.023   2.922  -3.803
  533    HD3  ARG  69           HD1      ARG  69 -15.177   4.256  -3.742
  534    HE   ARG  69           HE       ARG  69 -13.749   4.516  -6.167
  535   HH11  ARG  69          HH21      ARG  69 -15.857   2.319  -4.550
  536   HH12  ARG  69          HH22      ARG  69 -16.551   1.701  -6.011
  537   HH21  ARG  69          HH11      ARG  69 -14.645   3.723  -8.085
  538   HH22  ARG  69          HH12      ARG  69 -15.865   2.496  -8.013
  539    H    THR  70           HN       THR  70 -12.162   2.581   0.438
  540    HA   THR  70           HA       THR  70 -12.915   4.029   2.769
  541    HB   THR  70           HB       THR  70 -10.448   2.888   3.369
  542    HG1  THR  70           HG1      THR  70 -11.642   0.883   1.944
  543   HG21  THR  70          HG21      THR  70 -11.826   1.053   4.312
  544   HG22  THR  70          HG22      THR  70 -13.216   1.665   3.413
  545   HG23  THR  70          HG23      THR  70 -12.487   2.645   4.686
  546    H    TYR  71           HN       TYR  71 -11.025   4.953   4.248
  547    HA   TYR  71           HA       TYR  71  -8.943   6.406   2.825
  548    HB2  TYR  71           HB2      TYR  71 -11.388   7.836   3.863
  549    HB3  TYR  71           HB1      TYR  71  -9.840   8.658   3.680
  550    HD1  TYR  71           HD2      TYR  71  -8.720   8.702   1.414
  551    HD2  TYR  71           HD1      TYR  71 -12.762   7.360   1.972
  552    HE1  TYR  71           HE2      TYR  71  -9.147   8.977  -1.014
  553    HE2  TYR  71           HE1      TYR  71 -13.188   7.633  -0.455
  554    HH   TYR  71           HH       TYR  71 -10.777   9.084  -2.591
  555    H    LEU  72           HN       LEU  72  -8.346   8.323   4.727
  556    HA   LEU  72           HA       LEU  72  -7.906   6.671   7.174
  557    HB2  LEU  72           HB2      LEU  72  -6.116   8.939   6.930
  558    HB3  LEU  72           HB1      LEU  72  -5.728   7.231   7.116
  559    HG   LEU  72           HG       LEU  72  -6.458   8.584   4.499
  560   HD11  LEU  72          HD11      LEU  72  -4.097   8.242   3.931
  561   HD12  LEU  72          HD12      LEU  72  -3.804   7.521   5.513
  562   HD13  LEU  72          HD13      LEU  72  -4.231   9.228   5.387
  563   HD21  LEU  72          HD21      LEU  72  -6.801   6.489   3.737
  564   HD22  LEU  72          HD22      LEU  72  -6.457   5.832   5.336
  565   HD23  LEU  72          HD23      LEU  72  -5.148   6.075   4.180
  566    H    SER  73           HN       SER  73  -9.526   9.399   6.007
  567    HA   SER  73           HA       SER  73 -10.031  10.273   8.794
  568    HB2  SER  73           HB2      SER  73  -9.048  12.124   6.604
  569    HB3  SER  73           HB1      SER  73  -9.699  12.665   8.148
  570    HG   SER  73           HG       SER  73  -7.355  12.444   8.028
  571    H    GLN  74           HN       GLN  74 -12.183  10.605   9.037
  572    HA   GLN  74           HA       GLN  74 -14.126  10.126   7.116
  573    HB2  GLN  74           HB2      GLN  74 -14.364  10.623   9.668
  574    HB3  GLN  74           HB1      GLN  74 -14.563  12.299   9.154
  575    HG2  GLN  74           HG2      GLN  74 -16.768  11.641   9.053
  576    HG3  GLN  74           HG1      GLN  74 -16.268  11.158   7.432
  577   HE21  GLN  74          HE21      GLN  74 -15.334   8.794   7.352
  578   HE22  GLN  74          HE22      GLN  74 -16.143   7.638   8.297
  579    H    ARG  75           HN       ARG  75 -12.075  12.882   7.401
  580    HA   ARG  75           HA       ARG  75 -13.716  14.762   5.943
  581    HB2  ARG  75           HB2      ARG  75 -11.771  15.370   7.420
  582    HB3  ARG  75           HB1      ARG  75 -10.696  14.705   6.190
  583    HG2  ARG  75           HG2      ARG  75 -12.321  16.373   4.710
  584    HG3  ARG  75           HG1      ARG  75 -12.142  17.257   6.223
  585    HD2  ARG  75           HD2      ARG  75  -9.631  16.791   6.027
  586    HD3  ARG  75           HD1      ARG  75  -9.961  16.295   4.368
  587    HE   ARG  75           HE       ARG  75 -10.024  19.040   5.387
  588   HH11  ARG  75          HH21      ARG  75 -11.056  16.771   3.006
  589   HH12  ARG  75          HH22      ARG  75 -11.350  17.974   1.795
  590   HH21  ARG  75          HH11      ARG  75 -10.403  20.625   3.820
  591   HH22  ARG  75          HH12      ARG  75 -10.980  20.155   2.255
  592    H    ASP  76           HN       ASP  76 -11.353  12.317   5.024
  593    HA   ASP  76           HA       ASP  76 -11.327  13.187   2.225
  594    HB2  ASP  76           HB2      ASP  76 -10.038  10.990   3.808
  595    HB3  ASP  76           HB1      ASP  76 -10.151  10.815   2.056
  596    H    LEU  77           HN       LEU  77 -12.795  10.676   4.200
  597    HA   LEU  77           HA       LEU  77 -14.070   9.339   1.972
  598    HB2  LEU  77           HB2      LEU  77 -13.690   8.080   4.001
  599    HB3  LEU  77           HB1      LEU  77 -14.512   9.299   4.969
  600    HG   LEU  77           HG       LEU  77 -16.150   8.238   2.769
  601   HD11  LEU  77          HD11      LEU  77 -15.274   6.441   5.043
  602   HD12  LEU  77          HD12      LEU  77 -14.914   6.197   3.334
  603   HD13  LEU  77          HD13      LEU  77 -16.576   6.084   3.911
  604   HD21  LEU  77          HD21      LEU  77 -16.807   9.722   4.769
  605   HD22  LEU  77          HD22      LEU  77 -16.674   8.263   5.748
  606   HD23  LEU  77          HD23      LEU  77 -17.850   8.341   4.439
  607    H    GLN  78           HN       GLN  78 -14.834  11.908   4.246
  608    HA   GLN  78           HA       GLN  78 -17.599  12.101   3.423
  609    HB2  GLN  78           HB2      GLN  78 -16.933  13.070   5.577
  610    HB3  GLN  78           HB1      GLN  78 -15.781  14.131   4.765
  611    HG2  GLN  78           HG2      GLN  78 -17.891  15.308   5.351
  612    HG3  GLN  78           HG1      GLN  78 -17.612  15.283   3.612
  613   HE21  GLN  78          HE21      GLN  78 -18.889  13.664   2.334
  614   HE22  GLN  78          HE22      GLN  78 -20.366  13.093   2.946
  615    H    ALA  79           HN       ALA  79 -14.525  13.275   2.393
  616    HA   ALA  79           HA       ALA  79 -15.559  15.209   0.502
  617    HB1  ALA  79           HB1      ALA  79 -13.225  15.320   1.341
  618    HB2  ALA  79           HB2      ALA  79 -13.265  15.184  -0.415
  619    HB3  ALA  79           HB3      ALA  79 -12.884  13.773   0.570
  620    H    HIS  80           HN       HIS  80 -15.194  11.764   0.648
  621    HA   HIS  80           HA       HIS  80 -15.201  11.425  -2.259
  622    HB2  HIS  80           HB2      HIS  80 -14.278   9.550  -1.253
  623    HB3  HIS  80           HB1      HIS  80 -15.428   9.566   0.075
  624    HD1  HIS  80           HD1      HIS  80 -15.238   8.741  -3.620
  625    HD2  HIS  80           HD2      HIS  80 -17.711   8.018  -0.344
  626    HE1  HIS  80           HE1      HIS  80 -16.957   7.043  -4.382
  627    H    ILE  81           HN       ILE  81 -17.589  11.475   0.314
  628    HA   ILE  81           HA       ILE  81 -19.831  10.590  -1.225
  629    HB   ILE  81           HB       ILE  81 -20.113  12.685   0.910
  630   HG12  ILE  81          HG12      ILE  81 -18.489  10.924   1.657
  631   HG13  ILE  81          HG11      ILE  81 -19.916  11.078   2.659
  632   HG21  ILE  81          HG21      ILE  81 -21.758  10.323  -0.002
  633   HG22  ILE  81          HG22      ILE  81 -22.161  12.032  -0.128
  634   HG23  ILE  81          HG23      ILE  81 -22.121  11.249   1.451
  635   HD11  ILE  81          HD11      ILE  81 -19.256   8.692   2.119
  636   HD12  ILE  81          HD12      ILE  81 -19.668   9.028   0.441
  637   HD13  ILE  81          HD13      ILE  81 -20.910   9.115   1.687
  638    H    ASN  82           HN       ASN  82 -18.734  13.867  -0.436
  639    HA   ASN  82           HA       ASN  82 -20.742  15.043  -2.172
  640    HB2  ASN  82           HB2      ASN  82 -19.293  17.132  -1.867
  641    HB3  ASN  82           HB1      ASN  82 -19.999  16.436  -0.409
  642   HD21  ASN  82          HD21      ASN  82 -18.394  16.904   1.136
  643   HD22  ASN  82          HD22      ASN  82 -16.780  16.401   1.005
  644    H    HIS  83           HN       HIS  83 -17.606  13.688  -2.680
  645    HA   HIS  83           HA       HIS  83 -17.224  15.233  -5.147
  646    HB2  HIS  83           HB2      HIS  83 -15.619  13.033  -3.869
  647    HB3  HIS  83           HB1      HIS  83 -15.224  13.698  -5.449
  648    HD1  HIS  83           HD1      HIS  83 -12.995  14.383  -3.876
  649    HD2  HIS  83           HD2      HIS  83 -16.513  16.567  -3.362
  650    HE1  HIS  83           HE1      HIS  83 -12.334  16.557  -2.752
  651    HE2  HIS  83           HE2      HIS  83 -14.466  17.893  -2.434
  652    H    ARG  84           HN       ARG  84 -18.636  12.123  -4.313
  653    HA   ARG  84           HA       ARG  84 -18.909  11.622  -7.246
  654    HB2  ARG  84           HB2      ARG  84 -18.784   9.303  -5.368
  655    HB3  ARG  84           HB1      ARG  84 -18.354   9.381  -7.068
  656    HG2  ARG  84           HG2      ARG  84 -16.769  10.760  -4.869
  657    HG3  ARG  84           HG1      ARG  84 -16.381   9.173  -5.515
  658    HD2  ARG  84           HD2      ARG  84 -16.747  10.911  -7.744
  659    HD3  ARG  84           HD1      ARG  84 -15.693  11.731  -6.596
  660    HE   ARG  84           HE       ARG  84 -14.618   9.204  -6.704
  661   HH11  ARG  84          HH21      ARG  84 -15.598  11.553  -9.030
  662   HH12  ARG  84          HH22      ARG  84 -14.417  11.078 -10.204
  663   HH21  ARG  84          HH11      ARG  84 -13.070   8.570  -8.224
  664   HH22  ARG  84          HH12      ARG  84 -12.985   9.389  -9.748
  665    H    HIS  85           HN       HIS  85 -20.473  11.511  -4.124
  666    HA   HIS  85           HA       HIS  85 -22.910  10.377  -5.393
  667    HB2  HIS  85           HB2      HIS  85 -22.476  11.022  -2.471
  668    HB3  HIS  85           HB1      HIS  85 -23.725   9.991  -3.170
  669    HD1  HIS  85           HD1      HIS  85 -23.190   7.580  -2.884
  670    HD2  HIS  85           HD2      HIS  85 -19.735   9.861  -3.367
  671    HE1  HIS  85           HE1      HIS  85 -21.244   5.960  -2.793
  672    H    MET  86           HN       MET  86 -21.888  13.076  -3.358
  673    HA   MET  86           HA       MET  86 -22.947  15.144  -2.934
  674    HB2  MET  86           HB2      MET  86 -21.932  15.045  -5.413
  675    HB3  MET  86           HB1      MET  86 -23.629  15.286  -5.830
  676    HG2  MET  86           HG2      MET  86 -23.517  17.160  -3.986
  677    HG3  MET  86           HG1      MET  86 -21.783  17.088  -4.295
  678    HE1  MET  86           HE1      MET  86 -24.719  18.965  -4.943
  679    HE2  MET  86           HE2      MET  86 -25.327  17.552  -5.801
  680    HE3  MET  86           HE3      MET  86 -25.032  19.049  -6.682
  681    H    ARG  87           HN       ARG  87 -24.725  12.825  -2.732
  682    HA   ARG  87           HA       ARG  87 -27.264  14.272  -2.907
  683    HB2  ARG  87           HB2      ARG  87 -28.376  12.821  -4.408
  684    HB3  ARG  87           HB1      ARG  87 -26.816  13.115  -5.177
  685    HG2  ARG  87           HG2      ARG  87 -26.085  10.991  -3.779
  686    HG3  ARG  87           HG1      ARG  87 -27.815  10.646  -3.805
  687    HD2  ARG  87           HD2      ARG  87 -26.046  11.118  -6.223
  688    HD3  ARG  87           HD1      ARG  87 -26.743   9.576  -5.724
  689    HE   ARG  87           HE       ARG  87 -28.163  11.747  -7.083
  690   HH11  ARG  87          HH21      ARG  87 -28.315   8.950  -5.074
  691   HH12  ARG  87          HH22      ARG  87 -29.957   8.582  -5.484
  692   HH21  ARG  87          HH11      ARG  87 -30.306  11.283  -7.629
  693   HH22  ARG  87          HH12      ARG  87 -31.085   9.902  -6.931
  694    H    ALA  88           HN       ALA  88 -25.346  12.706  -1.028
  695    HA   ALA  88           HA       ALA  88 -26.469  10.351  -0.057
  696    HB1  ALA  88           HB1      ALA  88 -25.311  10.744   1.932
  697    HB2  ALA  88           HB2      ALA  88 -25.645  12.476   1.901
  698    HB3  ALA  88           HB3      ALA  88 -24.442  11.789   0.810
  699    H    GLY  89           HN       GLY  89 -28.252   9.832   1.216
  700    HA2  GLY  89           HA2      GLY  89 -30.377  11.859   1.341
  701    HA3  GLY  89           HA1      GLY  89 -30.544  10.155   1.767
  Start of MODEL   12
    1    H1   VAL   1           HT1      VAL   1 -16.169  -6.241   2.744
    2    H2   VAL   1           HT2      VAL   1 -14.799  -5.352   2.279
    3    H3   VAL   1           HT3      VAL   1 -16.290  -4.567   2.500
    4    HA   VAL   1           HA       VAL   1 -14.553  -4.360   4.345
    5    HB   VAL   1           HB       VAL   1 -16.516  -4.879   6.055
    6   HG11  VAL   1          HG11      VAL   1 -15.916  -2.627   5.550
    7   HG12  VAL   1          HG12      VAL   1 -17.640  -2.741   5.200
    8   HG13  VAL   1          HG13      VAL   1 -16.470  -2.777   3.882
    9   HG21  VAL   1          HG21      VAL   1 -18.633  -5.211   5.109
   10   HG22  VAL   1          HG22      VAL   1 -17.618  -6.234   4.094
   11   HG23  VAL   1          HG23      VAL   1 -18.120  -4.644   3.520
   12    H    HIS   2           HN       HIS   2 -13.207  -5.547   5.556
   13    HA   HIS   2           HA       HIS   2 -12.213  -7.338   6.674
   14    HB2  HIS   2           HB2      HIS   2 -14.381  -7.380   7.913
   15    HB3  HIS   2           HB1      HIS   2 -14.997  -8.528   6.730
   16    HD1  HIS   2           HD1      HIS   2 -12.582  -8.233   9.580
   17    HD2  HIS   2           HD2      HIS   2 -13.871 -11.135   6.877
   18    HE1  HIS   2           HE1      HIS   2 -11.693 -10.450  10.430
   19    HE2  HIS   2           HE2      HIS   2 -12.473 -12.224   8.792
   20    H    PHE   3           HN       PHE   3 -14.689  -8.660   4.496
   21    HA   PHE   3           HA       PHE   3 -13.023 -10.903   3.712
   22    HB2  PHE   3           HB2      PHE   3 -15.258 -10.040   1.952
   23    HB3  PHE   3           HB1      PHE   3 -14.867 -11.647   2.566
   24    HD1  PHE   3           HD1      PHE   3 -15.225 -12.072   5.097
   25    HD2  PHE   3           HD2      PHE   3 -16.957  -8.768   2.967
   26    HE1  PHE   3           HE1      PHE   3 -16.917 -11.802   6.890
   27    HE2  PHE   3           HE2      PHE   3 -18.648  -8.497   4.761
   28    HZ   PHE   3           HZ       PHE   3 -18.628 -10.015   6.722
   29    H    CYS   4           HN       CYS   4 -11.213 -10.542   2.495
   30    HA   CYS   4           HA       CYS   4 -10.558  -8.257   1.047
   31    HB2  CYS   4           HB2      CYS   4  -9.168 -10.398   1.516
   32    HB3  CYS   4           HB1      CYS   4  -9.829 -10.972  -0.014
   33    H    ASP   5           HN       ASP   5 -10.846  -7.571  -1.097
   34    HA   ASP   5           HA       ASP   5 -13.315  -8.474  -2.354
   35    HB2  ASP   5           HB2      ASP   5 -12.959  -6.160  -2.576
   36    HB3  ASP   5           HB1      ASP   5 -11.254  -6.369  -2.979
   37    H    LYS   6           HN       LYS   6  -9.903  -9.135  -2.735
   38    HA   LYS   6           HA       LYS   6 -10.414 -10.464  -5.340
   39    HB2  LYS   6           HB2      LYS   6  -8.235  -8.979  -4.330
   40    HB3  LYS   6           HB1      LYS   6  -7.681 -10.650  -4.425
   41    HG2  LYS   6           HG2      LYS   6  -9.057  -9.204  -6.712
   42    HG3  LYS   6           HG1      LYS   6  -7.310  -9.322  -6.536
   43    HD2  LYS   6           HD2      LYS   6  -8.807 -11.882  -6.336
   44    HD3  LYS   6           HD1      LYS   6  -8.758 -11.128  -7.930
   45    HE2  LYS   6           HE2      LYS   6  -6.311 -11.011  -7.826
   46    HE3  LYS   6           HE1      LYS   6  -6.332 -11.706  -6.206
   47    HZ1  LYS   6           HZ1      LYS   6  -6.006 -13.570  -7.445
   48    HZ2  LYS   6           HZ2      LYS   6  -6.866 -12.982  -8.787
   49    HZ3  LYS   6           HZ3      LYS   6  -7.702 -13.556  -7.424
   50    H    CYS   7           HN       CYS   7  -8.465 -11.218  -2.447
   51    HA   CYS   7           HA       CYS   7  -8.470 -14.017  -2.906
   52    HB2  CYS   7           HB2      CYS   7  -8.307 -12.737  -0.174
   53    HB3  CYS   7           HB1      CYS   7  -7.558 -14.239  -0.714
   54    H    GLY   8           HN       GLY   8 -10.911 -11.935  -1.583
   55    HA2  GLY   8           HA2      GLY   8 -13.089 -12.415  -0.863
   56    HA3  GLY   8           HA1      GLY   8 -12.897 -13.991  -1.631
   57    H    LEU   9           HN       LEU   9 -10.426 -13.429   0.601
   58    HA   LEU   9           HA       LEU   9 -11.770 -15.224   2.566
   59    HB2  LEU   9           HB2      LEU   9  -8.978 -14.782   1.671
   60    HB3  LEU   9           HB1      LEU   9  -9.171 -15.042   3.402
   61    HG   LEU   9           HG       LEU   9 -10.481 -17.116   2.902
   62   HD11  LEU   9          HD11      LEU   9  -9.594 -16.544   0.056
   63   HD12  LEU   9          HD12      LEU   9 -11.253 -16.451   0.645
   64   HD13  LEU   9          HD13      LEU   9 -10.419 -18.004   0.603
   65   HD21  LEU   9          HD21      LEU   9  -8.524 -18.443   2.124
   66   HD22  LEU   9          HD22      LEU   9  -8.081 -17.275   3.370
   67   HD23  LEU   9          HD23      LEU   9  -7.710 -16.944   1.677
   68    HA   PRO  10           HA       PRO  10 -12.153 -12.003   5.540
   69    HB2  PRO  10           HB2      PRO  10 -11.289 -13.226   7.857
   70    HB3  PRO  10           HB1      PRO  10 -12.909 -13.394   7.159
   71    HG2  PRO  10           HG2      PRO  10 -10.597 -15.250   7.035
   72    HG3  PRO  10           HG1      PRO  10 -12.330 -15.604   7.113
   73    HD2  PRO  10           HD2      PRO  10 -10.879 -15.802   4.802
   74    HD3  PRO  10           HD1      PRO  10 -12.611 -15.408   4.824
   75    H    ILE  11           HN       ILE  11 -10.713 -10.421   5.157
   76    HA   ILE  11           HA       ILE  11  -7.908 -10.519   5.159
   77    HB   ILE  11           HB       ILE  11  -9.734  -8.225   5.918
   78   HG12  ILE  11          HG12      ILE  11  -8.340  -8.644   3.275
   79   HG13  ILE  11          HG11      ILE  11  -9.894  -9.409   3.590
   80   HG21  ILE  11          HG21      ILE  11  -6.828  -8.514   5.743
   81   HG22  ILE  11          HG22      ILE  11  -7.781  -7.235   6.489
   82   HG23  ILE  11          HG23      ILE  11  -7.451  -7.191   4.757
   83   HD11  ILE  11          HD11      ILE  11  -9.798  -6.558   4.336
   84   HD12  ILE  11          HD12      ILE  11 -11.026  -7.443   3.431
   85   HD13  ILE  11          HD13      ILE  11  -9.578  -6.855   2.615
   86    H    LYS  12           HN       LYS  12  -6.491 -10.915   6.759
   87    HA   LYS  12           HA       LYS  12  -7.360 -10.757   9.573
   88    HB2  LYS  12           HB2      LYS  12  -4.859 -11.485   9.884
   89    HB3  LYS  12           HB1      LYS  12  -6.009 -12.651   9.231
   90    HG2  LYS  12           HG2      LYS  12  -4.684 -10.890   7.242
   91    HG3  LYS  12           HG1      LYS  12  -3.648 -12.077   8.033
   92    HD2  LYS  12           HD2      LYS  12  -5.184 -13.880   7.398
   93    HD3  LYS  12           HD1      LYS  12  -6.273 -12.709   6.652
   94    HE2  LYS  12           HE2      LYS  12  -4.901 -13.722   4.914
   95    HE3  LYS  12           HE1      LYS  12  -4.420 -12.038   5.111
   96    HZ1  LYS  12           HZ1      LYS  12  -2.743 -14.150   5.182
   97    HZ2  LYS  12           HZ2      LYS  12  -3.011 -13.863   6.835
   98    HZ3  LYS  12           HZ3      LYS  12  -2.409 -12.623   5.842
   99    H    VAL  13           HN       VAL  13  -5.352  -9.063   7.260
  100    HA   VAL  13           HA       VAL  13  -5.045  -6.841   9.207
  101    HB   VAL  13           HB       VAL  13  -2.804  -7.432   7.346
  102   HG11  VAL  13          HG11      VAL  13  -1.500  -6.422   9.180
  103   HG12  VAL  13          HG12      VAL  13  -2.954  -6.357  10.175
  104   HG13  VAL  13          HG13      VAL  13  -2.841  -5.376   8.713
  105   HG21  VAL  13          HG21      VAL  13  -3.405  -8.935   9.899
  106   HG22  VAL  13          HG22      VAL  13  -1.771  -8.812   9.245
  107   HG23  VAL  13          HG23      VAL  13  -3.037  -9.606   8.309
  108    H    TYR  14           HN       TYR  14  -5.129  -4.795   8.177
  109    HA   TYR  14           HA       TYR  14  -6.414  -4.816   5.577
  110    HB2  TYR  14           HB2      TYR  14  -5.685  -2.736   7.578
  111    HB3  TYR  14           HB1      TYR  14  -6.033  -2.231   5.928
  112    HD1  TYR  14           HD2      TYR  14  -7.606  -5.189   7.554
  113    HD2  TYR  14           HD1      TYR  14  -8.097  -1.085   6.393
  114    HE1  TYR  14           HE2      TYR  14 -10.034  -5.361   7.974
  115    HE2  TYR  14           HE1      TYR  14 -10.530  -1.256   6.822
  116    HH   TYR  14           HH       TYR  14 -12.246  -3.390   6.813
  117    H    GLY  15           HN       GLY  15  -5.031  -5.444   3.997
  118    HA2  GLY  15           HA2      GLY  15  -2.334  -4.392   3.742
  119    HA3  GLY  15           HA1      GLY  15  -3.178  -5.374   2.539
  120    H    ARG  16           HN       ARG  16  -2.702  -2.140   3.749
  121    HA   ARG  16           HA       ARG  16  -4.530  -0.893   1.851
  122    HB2  ARG  16           HB2      ARG  16  -4.121   0.301   3.879
  123    HB3  ARG  16           HB1      ARG  16  -2.373   0.201   3.665
  124    HG2  ARG  16           HG2      ARG  16  -2.324   1.863   2.072
  125    HG3  ARG  16           HG1      ARG  16  -3.937   1.481   1.473
  126    HD2  ARG  16           HD2      ARG  16  -4.900   2.450   3.563
  127    HD3  ARG  16           HD1      ARG  16  -3.275   2.926   4.054
  128    HE   ARG  16           HE       ARG  16  -4.879   4.162   1.924
  129   HH11  ARG  16          HH21      ARG  16  -1.795   3.669   3.396
  130   HH12  ARG  16          HH22      ARG  16  -1.108   5.121   2.750
  131   HH21  ARG  16          HH11      ARG  16  -3.991   6.059   1.072
  132   HH22  ARG  16          HH12      ARG  16  -2.349   6.471   1.435
  133    H    MET  17           HN       MET  17  -4.052   0.064  -0.100
  134    HA   MET  17           HA       MET  17  -1.236  -0.142  -1.067
  135    HB2  MET  17           HB2      MET  17  -3.561  -0.500  -2.925
  136    HB3  MET  17           HB1      MET  17  -1.903  -1.071  -3.098
  137    HG2  MET  17           HG2      MET  17  -2.325  -2.603  -1.135
  138    HG3  MET  17           HG1      MET  17  -4.014  -2.123  -1.209
  139    HE1  MET  17           HE1      MET  17  -1.467  -4.872  -3.201
  140    HE2  MET  17           HE2      MET  17  -1.022  -3.187  -2.961
  141    HE3  MET  17           HE3      MET  17  -1.521  -3.738  -4.554
  142    H    ILE  18           HN       ILE  18  -0.478   1.674  -2.000
  143    HA   ILE  18           HA       ILE  18  -2.410   3.850  -2.641
  144    HB   ILE  18           HB       ILE  18  -0.054   5.162  -2.373
  145   HG12  ILE  18          HG12      ILE  18   0.067   2.911  -0.359
  146   HG13  ILE  18          HG11      ILE  18   1.100   3.057  -1.784
  147   HG21  ILE  18          HG21      ILE  18  -0.815   5.750  -0.095
  148   HG22  ILE  18          HG22      ILE  18  -1.873   4.339  -0.083
  149   HG23  ILE  18          HG23      ILE  18  -2.188   5.668  -1.198
  150   HD11  ILE  18          HD11      ILE  18   2.479   4.423  -0.655
  151   HD12  ILE  18          HD12      ILE  18   1.452   4.278   0.772
  152   HD13  ILE  18          HD13      ILE  18   1.150   5.555  -0.406
  153    HA   PRO  19           HA       PRO  19  -1.921   5.945  -3.513
  154    HB2  PRO  19           HB2      PRO  19  -2.713   7.242  -5.748
  155    HB3  PRO  19           HB1      PRO  19  -1.039   7.322  -5.161
  156    HG2  PRO  19           HG2      PRO  19  -2.186   5.754  -7.403
  157    HG3  PRO  19           HG1      PRO  19  -0.602   6.531  -7.259
  158    HD2  PRO  19           HD2      PRO  19  -1.095   3.805  -6.875
  159    HD3  PRO  19           HD1      PRO  19   0.342   4.677  -6.307
  160    H    CYS  20           HN       CYS  20  -3.028   3.299  -5.130
  161    HA   CYS  20           HA       CYS  20  -5.661   3.849  -5.942
  162    HB2  CYS  20           HB2      CYS  20  -4.151   1.589  -5.720
  163    HB3  CYS  20           HB1      CYS  20  -5.286   1.353  -4.391
  164    H    LYS  21           HN       LYS  21  -4.370   3.219  -2.712
  165    HA   LYS  21           HA       LYS  21  -5.245   3.789  -0.616
  166    HB2  LYS  21           HB2      LYS  21  -6.299   5.722  -2.268
  167    HB3  LYS  21           HB1      LYS  21  -7.757   4.957  -1.633
  168    HG2  LYS  21           HG2      LYS  21  -6.893   5.246   0.669
  169    HG3  LYS  21           HG1      LYS  21  -5.462   6.048   0.020
  170    HD2  LYS  21           HD2      LYS  21  -7.522   7.424  -1.198
  171    HD3  LYS  21           HD1      LYS  21  -8.172   7.097   0.408
  172    HE2  LYS  21           HE2      LYS  21  -6.927   9.227   0.385
  173    HE3  LYS  21           HE1      LYS  21  -6.136   8.047   1.429
  174    HZ1  LYS  21           HZ1      LYS  21  -4.984   9.410  -0.643
  175    HZ2  LYS  21           HZ2      LYS  21  -5.239   7.851  -1.269
  176    HZ3  LYS  21           HZ3      LYS  21  -4.336   8.060   0.154
  177    H    HIS  22           HN       HIS  22  -5.819   1.369  -2.147
  178    HA   HIS  22           HA       HIS  22  -8.562   0.687  -1.186
  179    HB2  HIS  22           HB2      HIS  22  -6.762  -0.437  -3.310
  180    HB3  HIS  22           HB1      HIS  22  -8.009  -1.458  -2.597
  181    HD2  HIS  22           HD2      HIS  22 -10.521   0.609  -2.461
  182    HE1  HIS  22           HE1      HIS  22  -9.750   1.349  -6.547
  183    HE2  HIS  22           HE2      HIS  22 -11.470   1.566  -4.694
  184    H    VAL  23           HN       VAL  23  -8.664  -1.756  -0.449
  185    HA   VAL  23           HA       VAL  23  -6.255  -2.358   1.210
  186    HB   VAL  23           HB       VAL  23  -8.776  -3.280   2.346
  187   HG11  VAL  23          HG11      VAL  23  -6.418  -3.249   3.350
  188   HG12  VAL  23          HG12      VAL  23  -7.726  -2.670   4.374
  189   HG13  VAL  23          HG13      VAL  23  -6.661  -1.515   3.577
  190   HG21  VAL  23          HG21      VAL  23  -9.622  -1.165   1.477
  191   HG22  VAL  23          HG22      VAL  23  -8.212  -0.310   2.101
  192   HG23  VAL  23          HG23      VAL  23  -9.385  -1.007   3.218
  193    H    PHE  24           HN       PHE  24  -6.077  -4.597   1.835
  194    HA   PHE  24           HA       PHE  24  -7.737  -6.669   0.636
  195    HB2  PHE  24           HB2      PHE  24  -4.913  -6.363  -0.443
  196    HB3  PHE  24           HB1      PHE  24  -6.050  -7.643  -0.846
  197    HD1  PHE  24           HD2      PHE  24  -5.233  -4.088  -1.257
  198    HD2  PHE  24           HD1      PHE  24  -7.892  -7.255  -2.381
  199    HE1  PHE  24           HE2      PHE  24  -6.092  -2.692  -3.112
  200    HE2  PHE  24           HE1      PHE  24  -8.760  -5.866  -4.242
  201    HZ   PHE  24           HZ       PHE  24  -7.857  -3.588  -4.618
  202    H    CYS  25           HN       CYS  25  -6.490  -8.892   1.019
  203    HA   CYS  25           HA       CYS  25  -5.658  -8.918   3.774
  204    HB2  CYS  25           HB2      CYS  25  -4.531 -11.171   2.396
  205    HB3  CYS  25           HB1      CYS  25  -5.913 -11.143   3.489
  206    H    TYR  26           HN       TYR  26  -3.772  -8.011   4.488
  207    HA   TYR  26           HA       TYR  26  -1.696  -7.078   2.869
  208    HB2  TYR  26           HB2      TYR  26  -1.952  -6.542   5.287
  209    HB3  TYR  26           HB1      TYR  26  -1.380  -8.163   5.673
  210    HD1  TYR  26           HD2      TYR  26  -0.289  -5.350   3.379
  211    HD2  TYR  26           HD1      TYR  26   0.836  -8.278   6.322
  212    HE1  TYR  26           HE2      TYR  26   2.060  -4.593   3.240
  213    HE2  TYR  26           HE1      TYR  26   3.186  -7.512   6.179
  214    HH   TYR  26           HH       TYR  26   4.400  -5.425   5.515
  215    H    ASP  27           HN       ASP  27  -2.372 -10.360   3.731
  216    HA   ASP  27           HA       ASP  27   0.312 -11.340   3.182
  217    HB2  ASP  27           HB2      ASP  27  -1.109 -12.718   4.567
  218    HB3  ASP  27           HB1      ASP  27  -2.378 -12.727   3.342
  219    H    CYS  28           HN       CYS  28  -2.704 -11.043   1.362
  220    HA   CYS  28           HA       CYS  28  -1.432 -12.118  -1.049
  221    HB2  CYS  28           HB2      CYS  28  -3.560 -12.393  -1.768
  222    HB3  CYS  28           HB1      CYS  28  -4.088 -11.825  -0.183
  223    H    ALA  29           HN       ALA  29  -1.895  -9.072   0.504
  224    HA   ALA  29           HA       ALA  29  -1.596  -7.424  -1.843
  225    HB1  ALA  29           HB1      ALA  29  -0.684  -6.475   0.848
  226    HB2  ALA  29           HB2      ALA  29  -2.396  -6.853   0.645
  227    HB3  ALA  29           HB3      ALA  29  -1.636  -5.627  -0.370
  228    H    ILE  30           HN       ILE  30   0.616  -8.988   0.438
  229    HA   ILE  30           HA       ILE  30   2.921  -7.628  -0.724
  230    HB   ILE  30           HB       ILE  30   4.251  -9.062   0.736
  231   HG12  ILE  30          HG12      ILE  30   1.648 -10.335   1.579
  232   HG13  ILE  30          HG11      ILE  30   2.795 -11.125   0.503
  233   HG21  ILE  30          HG21      ILE  30   3.711  -7.492   2.232
  234   HG22  ILE  30          HG22      ILE  30   2.406  -8.540   2.784
  235   HG23  ILE  30          HG23      ILE  30   2.100  -7.330   1.540
  236   HD11  ILE  30          HD11      ILE  30   4.547 -10.847   2.276
  237   HD12  ILE  30          HD12      ILE  30   3.218 -11.901   2.756
  238   HD13  ILE  30          HD13      ILE  30   3.290 -10.245   3.356
  239    H    LEU  31           HN       LEU  31   1.292 -10.766  -1.027
  240    HA   LEU  31           HA       LEU  31   3.287 -11.974  -2.699
  241    HB2  LEU  31           HB2      LEU  31   0.286 -12.358  -2.570
  242    HB3  LEU  31           HB1      LEU  31   1.319 -13.319  -3.620
  243    HG   LEU  31           HG       LEU  31   1.972 -13.080  -0.692
  244   HD11  LEU  31          HD11      LEU  31  -0.130 -13.925  -0.308
  245   HD12  LEU  31          HD12      LEU  31   0.658 -15.435  -0.761
  246   HD13  LEU  31          HD13      LEU  31  -0.292 -14.546  -1.950
  247   HD21  LEU  31          HD21      LEU  31   3.258 -14.289  -2.785
  248   HD22  LEU  31          HD22      LEU  31   2.258 -15.615  -2.199
  249   HD23  LEU  31          HD23      LEU  31   3.395 -14.821  -1.110
  250    H    HIS  32           HN       HIS  32   0.627  -9.745  -3.358
  251    HA   HIS  32           HA       HIS  32   0.890  -9.850  -6.232
  252    HB2  HIS  32           HB2      HIS  32  -0.536  -8.157  -4.247
  253    HB3  HIS  32           HB1      HIS  32  -0.193  -7.409  -5.808
  254    HD1  HIS  32           HD1      HIS  32  -1.264  -8.508  -7.931
  255    HD2  HIS  32           HD2      HIS  32  -2.442 -10.257  -4.331
  256    HE1  HIS  32           HE1      HIS  32  -3.253  -9.984  -8.467
  257    HE2  HIS  32           HE2      HIS  32  -3.979 -11.051  -6.283
  258    H    GLU  33           HN       GLU  33   2.239  -7.808  -3.671
  259    HA   GLU  33           HA       GLU  33   3.580  -5.978  -5.415
  260    HB2  GLU  33           HB2      GLU  33   4.049  -4.999  -3.441
  261    HB3  GLU  33           HB1      GLU  33   3.338  -6.380  -2.623
  262    HG2  GLU  33           HG2      GLU  33   5.531  -7.530  -2.648
  263    HG3  GLU  33           HG1      GLU  33   6.248  -6.127  -3.453
  264    H    LYS  34           HN       LYS  34   4.505  -9.105  -4.031
  265    HA   LYS  34           HA       LYS  34   7.208  -8.998  -5.093
  266    HB2  LYS  34           HB2      LYS  34   5.488 -11.064  -3.774
  267    HB3  LYS  34           HB1      LYS  34   6.899 -11.610  -4.682
  268    HG2  LYS  34           HG2      LYS  34   8.398 -10.552  -3.259
  269    HG3  LYS  34           HG1      LYS  34   7.220  -9.339  -2.753
  270    HD2  LYS  34           HD2      LYS  34   6.120 -10.843  -1.299
  271    HD3  LYS  34           HD1      LYS  34   6.857 -12.253  -2.061
  272    HE2  LYS  34           HE2      LYS  34   8.937 -11.878  -1.047
  273    HE3  LYS  34           HE1      LYS  34   8.587 -10.176  -0.740
  274    HZ1  LYS  34           HZ1      LYS  34   7.346 -10.659   1.086
  275    HZ2  LYS  34           HZ2      LYS  34   8.430 -11.966   1.152
  276    HZ3  LYS  34           HZ3      LYS  34   6.870 -12.184   0.517
  277    H    LYS  35           HN       LYS  35   4.090  -9.768  -6.355
  278    HA   LYS  35           HA       LYS  35   5.114 -11.423  -8.525
  279    HB2  LYS  35           HB2      LYS  35   2.585 -10.946  -7.391
  280    HB3  LYS  35           HB1      LYS  35   2.486 -10.352  -9.047
  281    HG2  LYS  35           HG2      LYS  35   1.894 -12.704  -9.049
  282    HG3  LYS  35           HG1      LYS  35   3.470 -12.529  -9.820
  283    HD2  LYS  35           HD2      LYS  35   4.352 -13.948  -8.317
  284    HD3  LYS  35           HD1      LYS  35   3.920 -12.831  -7.022
  285    HE2  LYS  35           HE2      LYS  35   2.878 -14.986  -6.578
  286    HE3  LYS  35           HE1      LYS  35   1.622 -13.823  -7.000
  287    HZ1  LYS  35           HZ1      LYS  35   2.753 -15.995  -8.649
  288    HZ2  LYS  35           HZ2      LYS  35   1.953 -14.677  -9.364
  289    HZ3  LYS  35           HZ3      LYS  35   1.128 -15.685  -8.273
  290    H    GLY  36           HN       GLY  36   3.173  -8.443  -8.761
  291    HA2  GLY  36           HA2      GLY  36   4.706  -7.740 -11.207
  292    HA3  GLY  36           HA1      GLY  36   3.166  -7.031 -10.723
  293    H    ASP  37           HN       ASP  37   4.000  -6.534  -7.966
  294    HA   ASP  37           HA       ASP  37   5.212  -4.958  -6.693
  295    HB2  ASP  37           HB2      ASP  37   7.105  -5.832  -8.408
  296    HB3  ASP  37           HB1      ASP  37   6.967  -4.159  -8.949
  297    H    LYS  38           HN       LYS  38   3.123  -4.402  -9.018
  298    HA   LYS  38           HA       LYS  38   2.858  -1.598  -8.423
  299    HB2  LYS  38           HB2      LYS  38   3.210  -0.890 -10.822
  300    HB3  LYS  38           HB1      LYS  38   4.654  -1.258  -9.881
  301    HG2  LYS  38           HG2      LYS  38   5.179  -3.061 -11.157
  302    HG3  LYS  38           HG1      LYS  38   3.502  -3.604 -11.222
  303    HD2  LYS  38           HD2      LYS  38   3.021  -1.867 -12.931
  304    HD3  LYS  38           HD1      LYS  38   4.719  -1.386 -12.896
  305    HE2  LYS  38           HE2      LYS  38   4.851  -4.133 -13.242
  306    HE3  LYS  38           HE1      LYS  38   3.459  -3.672 -14.222
  307    HZ1  LYS  38           HZ1      LYS  38   4.776  -2.722 -15.713
  308    HZ2  LYS  38           HZ2      LYS  38   6.102  -3.418 -14.910
  309    HZ3  LYS  38           HZ3      LYS  38   5.612  -1.835 -14.532
  310    H    MET  39           HN       MET  39   1.131  -4.003  -8.523
  311    HA   MET  39           HA       MET  39  -0.968  -2.832 -10.244
  312    HB2  MET  39           HB2      MET  39  -1.490  -4.904 -11.347
  313    HB3  MET  39           HB1      MET  39   0.239  -4.627 -11.553
  314    HG2  MET  39           HG2      MET  39   0.420  -6.020  -9.317
  315    HG3  MET  39           HG1      MET  39  -1.163  -6.624  -9.809
  316    HE1  MET  39           HE1      MET  39  -1.544  -6.970 -12.457
  317    HE2  MET  39           HE2      MET  39  -1.536  -8.461 -11.519
  318    HE3  MET  39           HE3      MET  39  -0.696  -8.397 -13.066
  319    H    CYS  40           HN       CYS  40  -2.681  -2.553  -8.968
  320    HA   CYS  40           HA       CYS  40  -2.995  -3.725  -6.402
  321    HB2  CYS  40           HB2      CYS  40  -4.184  -1.667  -7.693
  322    HB3  CYS  40           HB1      CYS  40  -5.454  -2.880  -7.834
  323    HA   PRO  41           HA       PRO  41  -4.478  -7.839  -7.418
  324    HB2  PRO  41           HB2      PRO  41  -6.522  -7.505  -5.291
  325    HB3  PRO  41           HB1      PRO  41  -5.291  -8.766  -5.484
  326    HG2  PRO  41           HG2      PRO  41  -5.115  -6.807  -3.650
  327    HG3  PRO  41           HG1      PRO  41  -3.703  -7.566  -4.399
  328    HD2  PRO  41           HD2      PRO  41  -4.829  -4.859  -4.840
  329    HD3  PRO  41           HD1      PRO  41  -3.170  -5.458  -5.067
  330    H    GLY  42           HN       GLY  42  -6.876  -5.294  -6.824
  331    HA2  GLY  42           HA2      GLY  42  -8.693  -6.613  -8.815
  332    HA3  GLY  42           HA1      GLY  42  -9.244  -5.552  -7.525
  333    H    CYS  43           HN       CYS  43  -7.478  -3.406  -7.787
  334    HA   CYS  43           HA       CYS  43  -8.585  -2.146 -10.180
  335    HB2  CYS  43           HB2      CYS  43  -6.519  -0.867  -8.414
  336    HB3  CYS  43           HB1      CYS  43  -7.874  -0.119  -9.258
  337    H    SER  44           HN       SER  44  -5.673  -3.806  -9.423
  338    HA   SER  44           HA       SER  44  -3.639  -4.001 -10.597
  339    HB2  SER  44           HB2      SER  44  -5.398  -4.829 -12.258
  340    HB3  SER  44           HB1      SER  44  -5.317  -3.233 -12.998
  341    HG   SER  44           HG       SER  44  -3.819  -4.401 -14.064
  342    H    ASP  45           HN       ASP  45  -4.195  -1.412  -9.454
  343    HA   ASP  45           HA       ASP  45  -3.314   0.549 -11.472
  344    HB2  ASP  45           HB2      ASP  45  -4.630   0.626  -8.866
  345    HB3  ASP  45           HB1      ASP  45  -3.310   1.791  -8.971
  346    HA   PRO  46           HA       PRO  46   0.984   0.472 -10.569
  347    HB2  PRO  46           HB2      PRO  46   1.509   3.163  -9.974
  348    HB3  PRO  46           HB1      PRO  46   1.463   2.451 -11.593
  349    HG2  PRO  46           HG2      PRO  46  -0.616   4.002 -10.153
  350    HG3  PRO  46           HG1      PRO  46  -0.207   3.979 -11.876
  351    HD2  PRO  46           HD2      PRO  46  -2.392   2.703 -10.920
  352    HD3  PRO  46           HD1      PRO  46  -1.460   2.059 -12.289
  353    H    VAL  47           HN       VAL  47   0.319  -0.732  -8.509
  354    HA   VAL  47           HA       VAL  47  -0.059   0.403  -5.985
  355    HB   VAL  47           HB       VAL  47   1.773  -1.944  -6.524
  356   HG11  VAL  47          HG11      VAL  47   1.938  -1.267  -4.252
  357   HG12  VAL  47          HG12      VAL  47   0.837  -2.644  -4.287
  358   HG13  VAL  47          HG13      VAL  47   0.198  -1.008  -4.137
  359   HG21  VAL  47          HG21      VAL  47  -1.207  -1.958  -6.042
  360   HG22  VAL  47          HG22      VAL  47  -0.186  -3.330  -6.476
  361   HG23  VAL  47          HG23      VAL  47  -0.487  -2.048  -7.643
  362    H    GLN  48           HN       GLN  48   1.086   2.291  -5.518
  363    HA   GLN  48           HA       GLN  48   3.890   2.626  -6.051
  364    HB2  GLN  48           HB2      GLN  48   2.607   4.622  -5.774
  365    HB3  GLN  48           HB1      GLN  48   1.961   4.074  -4.226
  366    HG2  GLN  48           HG2      GLN  48   3.868   4.636  -3.082
  367    HG3  GLN  48           HG1      GLN  48   4.924   4.248  -4.440
  368   HE21  GLN  48          HE21      GLN  48   4.896   5.870  -6.299
  369   HE22  GLN  48          HE22      GLN  48   4.612   7.503  -5.934
  370    H    ARG  49           HN       ARG  49   2.191   2.231  -2.919
  371    HA   ARG  49           HA       ARG  49   4.321   0.379  -2.093
  372    HB2  ARG  49           HB2      ARG  49   5.511   1.904  -0.955
  373    HB3  ARG  49           HB1      ARG  49   4.335   3.156  -1.332
  374    HG2  ARG  49           HG2      ARG  49   2.981   2.513   0.610
  375    HG3  ARG  49           HG1      ARG  49   4.093   1.184   0.965
  376    HD2  ARG  49           HD2      ARG  49   5.014   4.055   0.802
  377    HD3  ARG  49           HD1      ARG  49   4.437   3.335   2.305
  378    HE   ARG  49           HE       ARG  49   6.377   1.567   1.316
  379   HH11  ARG  49          HH21      ARG  49   6.117   4.873   2.258
  380   HH12  ARG  49          HH22      ARG  49   7.759   4.988   2.794
  381   HH21  ARG  49          HH11      ARG  49   8.524   1.698   2.011
  382   HH22  ARG  49          HH12      ARG  49   9.122   3.191   2.654
  383    H    ILE  50           HN       ILE  50   3.549  -1.149  -0.702
  384    HA   ILE  50           HA       ILE  50   0.707  -0.928   0.060
  385    HB   ILE  50           HB       ILE  50   2.489  -3.301   0.536
  386   HG12  ILE  50          HG12      ILE  50   1.170  -2.353  -2.001
  387   HG13  ILE  50          HG11      ILE  50   2.844  -2.831  -1.759
  388   HG21  ILE  50          HG21      ILE  50  -0.357  -3.473  -0.306
  389   HG22  ILE  50          HG22      ILE  50  -0.038  -2.884   1.323
  390   HG23  ILE  50          HG23      ILE  50   0.539  -4.474   0.832
  391   HD11  ILE  50          HD11      ILE  50   1.802  -4.665  -2.877
  392   HD12  ILE  50          HD12      ILE  50   0.407  -4.619  -1.803
  393   HD13  ILE  50          HD13      ILE  50   1.970  -5.155  -1.191
  394    H    GLU  51           HN       GLU  51   0.025  -1.114   2.150
  395    HA   GLU  51           HA       GLU  51   2.056  -1.185   4.310
  396    HB2  GLU  51           HB2      GLU  51  -0.064   0.965   4.078
  397    HB3  GLU  51           HB1      GLU  51   1.111   0.795   5.387
  398    HG2  GLU  51           HG2      GLU  51   2.936   0.958   3.665
  399    HG3  GLU  51           HG1      GLU  51   1.697   1.354   2.473
  400    H    GLN  52           HN       GLN  52   1.329  -2.125   6.175
  401    HA   GLN  52           HA       GLN  52  -1.341  -3.400   6.021
  402    HB2  GLN  52           HB2      GLN  52  -0.541  -4.998   7.552
  403    HB3  GLN  52           HB1      GLN  52   0.879  -4.635   6.570
  404    HG2  GLN  52           HG2      GLN  52   1.363  -2.805   8.361
  405    HG3  GLN  52           HG1      GLN  52   0.245  -3.725   9.369
  406   HE21  GLN  52          HE21      GLN  52   0.933  -5.810  10.145
  407   HE22  GLN  52          HE22      GLN  52   2.515  -6.387   9.927
  408    H    CYS  53           HN       CYS  53  -2.940  -3.047   7.582
  409    HA   CYS  53           HA       CYS  53  -2.324  -1.253   9.850
  410    HB2  CYS  53           HB2      CYS  53  -3.632  -0.384   7.448
  411    HB3  CYS  53           HB1      CYS  53  -4.794  -0.351   8.774
  412    H    THR  54           HN       THR  54  -4.329  -1.071  11.300
  413    HA   THR  54           HA       THR  54  -5.461  -3.767  11.606
  414    HB   THR  54           HB       THR  54  -6.576  -2.042  13.535
  415    HG1  THR  54           HG1      THR  54  -4.964  -0.756  14.145
  416   HG21  THR  54          HG21      THR  54  -5.845  -4.325  13.953
  417   HG22  THR  54          HG22      THR  54  -4.985  -3.237  15.044
  418   HG23  THR  54          HG23      THR  54  -4.171  -3.882  13.617
  419    H    ARG  55           HN       ARG  55  -7.832  -4.016  11.986
  420    HA   ARG  55           HA       ARG  55  -9.342  -2.759   9.871
  421    HB2  ARG  55           HB2      ARG  55  -9.743  -5.084  10.818
  422    HB3  ARG  55           HB1      ARG  55 -10.458  -4.304  12.229
  423    HG2  ARG  55           HG2      ARG  55 -11.698  -3.051  10.064
  424    HG3  ARG  55           HG1      ARG  55 -11.605  -4.745   9.587
  425    HD2  ARG  55           HD2      ARG  55 -13.686  -4.278  10.842
  426    HD3  ARG  55           HD1      ARG  55 -12.656  -5.423  11.700
  427    HE   ARG  55           HE       ARG  55 -11.884  -3.031  12.787
  428   HH11  ARG  55          HH21      ARG  55 -14.927  -4.518  12.139
  429   HH12  ARG  55          HH22      ARG  55 -15.733  -3.755  13.469
  430   HH21  ARG  55          HH11      ARG  55 -12.919  -2.027  14.526
  431   HH22  ARG  55          HH12      ARG  55 -14.596  -2.345  14.821
  432    H    GLY  56           HN       GLY  56  -8.272  -0.812  11.641
  433    HA2  GLY  56           HA2      GLY  56 -10.756   0.629  12.261
  434    HA3  GLY  56           HA1      GLY  56  -9.692   0.328  13.639
  435    H    SER  57           HN       SER  57  -8.129   0.617  10.604
  436    HA   SER  57           HA       SER  57  -7.067   3.269  11.441
  437    HB2  SER  57           HB2      SER  57  -5.881   1.682   9.206
  438    HB3  SER  57           HB1      SER  57  -5.085   2.718  10.387
  439    HG   SER  57           HG       SER  57  -4.675   0.877  11.329
  440    H    LEU  58           HN       LEU  58  -8.825   1.661   8.874
  441    HA   LEU  58           HA       LEU  58  -8.830   4.217   7.315
  442    HB2  LEU  58           HB2      LEU  58  -9.706   1.572   6.189
  443    HB3  LEU  58           HB1      LEU  58  -9.091   2.988   5.339
  444    HG   LEU  58           HG       LEU  58  -7.474   1.156   7.142
  445   HD11  LEU  58          HD11      LEU  58  -8.246   0.500   4.698
  446   HD12  LEU  58          HD12      LEU  58  -6.575   0.226   5.198
  447   HD13  LEU  58          HD13      LEU  58  -6.985   1.632   4.216
  448   HD21  LEU  58          HD21      LEU  58  -5.677   2.661   5.767
  449   HD22  LEU  58          HD22      LEU  58  -6.262   3.093   7.371
  450   HD23  LEU  58          HD23      LEU  58  -6.981   3.832   5.941
  451    H    PHE  59           HN       PHE  59 -10.945   4.444   6.004
  452    HA   PHE  59           HA       PHE  59 -13.281   3.575   7.649
  453    HB2  PHE  59           HB2      PHE  59 -12.938   6.304   6.380
  454    HB3  PHE  59           HB1      PHE  59 -14.281   5.775   7.394
  455    HD1  PHE  59           HD2      PHE  59 -10.563   6.202   7.421
  456    HD2  PHE  59           HD1      PHE  59 -14.186   6.053   9.723
  457    HE1  PHE  59           HE2      PHE  59  -9.303   6.880   9.447
  458    HE2  PHE  59           HE1      PHE  59 -12.926   6.730  11.750
  459    HZ   PHE  59           HZ       PHE  59 -10.484   7.144  11.612
  460    H    MET  60           HN       MET  60 -14.632   2.400   6.395
  461    HA   MET  60           HA       MET  60 -14.358   2.436   3.481
  462    HB2  MET  60           HB2      MET  60 -16.410   0.967   5.157
  463    HB3  MET  60           HB1      MET  60 -15.923   0.597   3.503
  464    HG2  MET  60           HG2      MET  60 -14.427  -0.829   4.423
  465    HG3  MET  60           HG1      MET  60 -13.515   0.610   4.877
  466    HE1  MET  60           HE1      MET  60 -12.843  -1.269   7.799
  467    HE2  MET  60           HE2      MET  60 -12.797  -1.493   6.052
  468    HE3  MET  60           HE3      MET  60 -13.872  -2.488   7.032
  469    H    CYS  61           HN       CYS  61 -15.894   3.155   1.997
  470    HA   CYS  61           HA       CYS  61 -17.600   5.346   2.833
  471    HB2  CYS  61           HB2      CYS  61 -16.530   5.286   0.600
  472    HB3  CYS  61           HB1      CYS  61 -17.491   3.868   0.186
  473    H    SER  62           HN       SER  62 -19.852   5.367   3.037
  474    HA   SER  62           HA       SER  62 -21.108   2.734   3.462
  475    HB2  SER  62           HB2      SER  62 -22.468   5.418   3.714
  476    HB3  SER  62           HB1      SER  62 -22.862   3.913   4.540
  477    HG   SER  62           HG       SER  62 -21.698   5.403   5.862
  478    H    ILE  63           HN       ILE  63 -20.452   4.275   0.762
  479    HA   ILE  63           HA       ILE  63 -23.158   4.156  -0.457
  480    HB   ILE  63           HB       ILE  63 -20.509   5.009  -1.670
  481   HG12  ILE  63          HG12      ILE  63 -21.618   6.358   0.331
  482   HG13  ILE  63          HG11      ILE  63 -20.971   7.205  -1.068
  483   HG21  ILE  63          HG21      ILE  63 -21.937   4.464  -3.461
  484   HG22  ILE  63          HG22      ILE  63 -22.176   6.197  -3.260
  485   HG23  ILE  63          HG23      ILE  63 -23.367   5.063  -2.623
  486   HD11  ILE  63          HD11      ILE  63 -23.351   7.839  -0.262
  487   HD12  ILE  63          HD12      ILE  63 -23.852   6.319  -0.999
  488   HD13  ILE  63          HD13      ILE  63 -23.110   7.575  -1.988
  489    H    VAL  64           HN       VAL  64 -23.219   3.052  -2.687
  490    HA   VAL  64           HA       VAL  64 -21.352   0.743  -2.873
  491    HB   VAL  64           HB       VAL  64 -23.903  -0.283  -3.502
  492   HG11  VAL  64          HG11      VAL  64 -22.193  -0.635  -1.020
  493   HG12  VAL  64          HG12      VAL  64 -21.995  -1.516  -2.535
  494   HG13  VAL  64          HG13      VAL  64 -23.450  -1.747  -1.565
  495   HG21  VAL  64          HG21      VAL  64 -23.891   1.139  -0.820
  496   HG22  VAL  64          HG22      VAL  64 -25.174   0.105  -1.445
  497   HG23  VAL  64          HG23      VAL  64 -24.830   1.649  -2.223
  498    H    GLN  65           HN       GLN  65 -22.062  -0.543  -5.001
  499    HA   GLN  65           HA       GLN  65 -22.177  -0.450  -7.341
  500    HB2  GLN  65           HB2      GLN  65 -24.522   0.393  -6.616
  501    HB3  GLN  65           HB1      GLN  65 -23.916   1.996  -7.034
  502    HG2  GLN  65           HG2      GLN  65 -24.747   1.402  -9.095
  503    HG3  GLN  65           HG1      GLN  65 -23.144   0.684  -9.245
  504   HE21  GLN  65          HE21      GLN  65 -22.985  -1.695  -8.633
  505   HE22  GLN  65          HE22      GLN  65 -24.344  -2.683  -8.875
  506    H    GLY  66           HN       GLY  66 -19.894   0.236  -7.320
  507    HA2  GLY  66           HA2      GLY  66 -18.318   1.616  -8.450
  508    HA3  GLY  66           HA1      GLY  66 -19.572   2.840  -8.649
  509    H    CYS  67           HN       CYS  67 -17.792   1.261  -5.968
  510    HA   CYS  67           HA       CYS  67 -16.810   3.790  -4.967
  511    HB2  CYS  67           HB2      CYS  67 -19.248   3.881  -4.306
  512    HB3  CYS  67           HB1      CYS  67 -18.964   2.459  -3.302
  513    H    LYS  68           HN       LYS  68 -17.327   2.320  -2.174
  514    HA   LYS  68           HA       LYS  68 -16.178   0.737  -0.863
  515    HB2  LYS  68           HB2      LYS  68 -16.467  -0.579  -3.203
  516    HB3  LYS  68           HB1      LYS  68 -14.710  -0.417  -3.179
  517    HG2  LYS  68           HG2      LYS  68 -14.839  -1.283  -0.757
  518    HG3  LYS  68           HG1      LYS  68 -16.489  -1.769  -1.148
  519    HD2  LYS  68           HD2      LYS  68 -15.099  -2.727  -3.315
  520    HD3  LYS  68           HD1      LYS  68 -13.933  -2.952  -2.009
  521    HE2  LYS  68           HE2      LYS  68 -15.323  -4.943  -2.168
  522    HE3  LYS  68           HE1      LYS  68 -15.721  -4.089  -0.676
  523    HZ1  LYS  68           HZ1      LYS  68 -17.709  -3.351  -1.519
  524    HZ2  LYS  68           HZ2      LYS  68 -17.602  -4.887  -2.237
  525    HZ3  LYS  68           HZ3      LYS  68 -17.218  -3.498  -3.135
  526    H    ARG  69           HN       ARG  69 -15.085   3.375  -1.782
  527    HA   ARG  69           HA       ARG  69 -12.177   2.855  -1.865
  528    HB2  ARG  69           HB2      ARG  69 -13.893   5.307  -2.212
  529    HB3  ARG  69           HB1      ARG  69 -12.153   5.450  -1.954
  530    HG2  ARG  69           HG2      ARG  69 -11.708   4.060  -3.908
  531    HG3  ARG  69           HG1      ARG  69 -13.435   3.783  -4.139
  532    HD2  ARG  69           HD2      ARG  69 -13.805   5.899  -4.968
  533    HD3  ARG  69           HD1      ARG  69 -12.517   6.617  -4.002
  534    HE   ARG  69           HE       ARG  69 -11.007   6.151  -5.762
  535   HH11  ARG  69          HH21      ARG  69 -13.979   4.435  -6.082
  536   HH12  ARG  69          HH22      ARG  69 -13.624   3.849  -7.672
  537   HH21  ARG  69          HH11      ARG  69 -10.525   5.395  -7.837
  538   HH22  ARG  69          HH12      ARG  69 -11.669   4.393  -8.666
  539    H    THR  70           HN       THR  70 -10.956   2.912  -0.028
  540    HA   THR  70           HA       THR  70 -12.252   3.786   2.485
  541    HB   THR  70           HB       THR  70  -9.620   2.988   3.041
  542    HG1  THR  70           HG1      THR  70 -10.573   0.877   1.593
  543   HG21  THR  70          HG21      THR  70 -10.725   0.992   3.985
  544   HG22  THR  70          HG22      THR  70 -12.194   1.391   3.094
  545   HG23  THR  70          HG23      THR  70 -11.617   2.465   4.369
  546    H    TYR  71           HN       TYR  71 -10.489   4.883   4.037
  547    HA   TYR  71           HA       TYR  71  -8.708   6.747   2.665
  548    HB2  TYR  71           HB2      TYR  71 -11.285   7.668   3.935
  549    HB3  TYR  71           HB1      TYR  71  -9.900   8.744   3.762
  550    HD1  TYR  71           HD2      TYR  71  -9.009   9.298   1.507
  551    HD2  TYR  71           HD1      TYR  71 -12.597   6.993   2.024
  552    HE1  TYR  71           HE2      TYR  71  -9.613   9.706  -0.863
  553    HE2  TYR  71           HE1      TYR  71 -13.198   7.398  -0.348
  554    HH   TYR  71           HH       TYR  71 -11.356   9.620  -2.357
  555    H    LEU  72           HN       LEU  72  -8.248   8.542   4.670
  556    HA   LEU  72           HA       LEU  72  -7.423   6.790   6.938
  557    HB2  LEU  72           HB2      LEU  72  -6.067   9.364   6.788
  558    HB3  LEU  72           HB1      LEU  72  -5.382   7.741   6.854
  559    HG   LEU  72           HG       LEU  72  -6.471   9.091   4.361
  560   HD11  LEU  72          HD11      LEU  72  -4.423   9.992   4.171
  561   HD12  LEU  72          HD12      LEU  72  -3.732   8.369   4.150
  562   HD13  LEU  72          HD13      LEU  72  -3.922   9.228   5.679
  563   HD21  LEU  72          HD21      LEU  72  -5.982   6.327   5.020
  564   HD22  LEU  72          HD22      LEU  72  -4.815   6.845   3.804
  565   HD23  LEU  72          HD23      LEU  72  -6.542   7.008   3.493
  566    H    SER  73           HN       SER  73  -9.516   9.337   6.124
  567    HA   SER  73           HA       SER  73 -10.089   9.766   8.983
  568    HB2  SER  73           HB2      SER  73  -8.560  11.538   8.828
  569    HB3  SER  73           HB1      SER  73  -8.992  11.893   7.157
  570    HG   SER  73           HG       SER  73  -9.921  13.426   8.515
  571    H    GLN  74           HN       GLN  74 -12.259  10.047   9.272
  572    HA   GLN  74           HA       GLN  74 -14.178   9.579   7.334
  573    HB2  GLN  74           HB2      GLN  74 -14.433  11.440   9.709
  574    HB3  GLN  74           HB1      GLN  74 -15.784  10.746   8.809
  575    HG2  GLN  74           HG2      GLN  74 -13.676   8.917   9.896
  576    HG3  GLN  74           HG1      GLN  74 -14.901   9.555  10.991
  577   HE21  GLN  74          HE21      GLN  74 -14.615   7.884   7.817
  578   HE22  GLN  74          HE22      GLN  74 -16.067   7.023   7.971
  579    H    ARG  75           HN       ARG  75 -12.486  12.544   8.026
  580    HA   ARG  75           HA       ARG  75 -14.128  14.356   6.568
  581    HB2  ARG  75           HB2      ARG  75 -12.426  15.160   8.104
  582    HB3  ARG  75           HB1      ARG  75 -11.160  14.331   7.203
  583    HG2  ARG  75           HG2      ARG  75 -11.279  16.804   6.755
  584    HG3  ARG  75           HG1      ARG  75 -11.453  15.814   5.306
  585    HD2  ARG  75           HD2      ARG  75 -13.738  16.231   5.139
  586    HD3  ARG  75           HD1      ARG  75 -13.887  16.624   6.848
  587    HE   ARG  75           HE       ARG  75 -12.228  18.504   5.334
  588   HH11  ARG  75          HH21      ARG  75 -15.362  17.596   6.447
  589   HH12  ARG  75          HH22      ARG  75 -16.007  19.200   6.352
  590   HH21  ARG  75          HH11      ARG  75 -13.052  20.604   5.204
  591   HH22  ARG  75          HH12      ARG  75 -14.699  20.904   5.648
  592    H    ASP  76           HN       ASP  76 -11.548  12.205   5.592
  593    HA   ASP  76           HA       ASP  76 -11.483  13.253   2.860
  594    HB2  ASP  76           HB2      ASP  76 -10.075  11.018   4.310
  595    HB3  ASP  76           HB1      ASP  76 -10.003  11.133   2.552
  596    H    LEU  77           HN       LEU  77 -12.859  10.552   4.634
  597    HA   LEU  77           HA       LEU  77 -13.796   9.216   2.234
  598    HB2  LEU  77           HB2      LEU  77 -13.599   7.733   4.015
  599    HB3  LEU  77           HB1      LEU  77 -14.201   8.892   5.181
  600    HG   LEU  77           HG       LEU  77 -16.064   7.967   3.018
  601   HD11  LEU  77          HD11      LEU  77 -15.441   5.824   3.603
  602   HD12  LEU  77          HD12      LEU  77 -16.673   6.136   4.828
  603   HD13  LEU  77          HD13      LEU  77 -14.968   6.293   5.233
  604   HD21  LEU  77          HD21      LEU  77 -16.355   9.610   5.223
  605   HD22  LEU  77          HD22      LEU  77 -16.909   8.062   5.847
  606   HD23  LEU  77          HD23      LEU  77 -17.677   8.762   4.425
  607    H    GLN  78           HN       GLN  78 -14.949  11.568   4.535
  608    HA   GLN  78           HA       GLN  78 -17.661  11.618   3.531
  609    HB2  GLN  78           HB2      GLN  78 -16.976  12.532   5.788
  610    HB3  GLN  78           HB1      GLN  78 -16.179  13.857   4.942
  611    HG2  GLN  78           HG2      GLN  78 -18.325  14.703   5.504
  612    HG3  GLN  78           HG1      GLN  78 -18.452  14.264   3.801
  613   HE21  GLN  78          HE21      GLN  78 -19.555  12.172   3.297
  614   HE22  GLN  78          HE22      GLN  78 -20.666  11.520   4.402
  615    H    ALA  79           HN       ALA  79 -14.636  13.110   2.780
  616    HA   ALA  79           HA       ALA  79 -15.718  15.028   0.901
  617    HB1  ALA  79           HB1      ALA  79 -12.926  13.854   1.109
  618    HB2  ALA  79           HB2      ALA  79 -13.477  15.309   1.939
  619    HB3  ALA  79           HB3      ALA  79 -13.373  15.283   0.179
  620    H    HIS  80           HN       HIS  80 -15.031  11.632   0.912
  621    HA   HIS  80           HA       HIS  80 -14.760  11.451  -1.996
  622    HB2  HIS  80           HB2      HIS  80 -13.831   9.542  -1.188
  623    HB3  HIS  80           HB1      HIS  80 -14.830   9.560   0.256
  624    HD1  HIS  80           HD1      HIS  80 -15.379   8.997  -3.474
  625    HD2  HIS  80           HD2      HIS  80 -16.725   7.585   0.205
  626    HE1  HIS  80           HE1      HIS  80 -17.035   7.148  -3.981
  627    H    ILE  81           HN       ILE  81 -17.353  11.052   0.347
  628    HA   ILE  81           HA       ILE  81 -19.334  10.097  -1.458
  629    HB   ILE  81           HB       ILE  81 -20.080  11.972   0.760
  630   HG12  ILE  81          HG12      ILE  81 -18.304  10.495   1.646
  631   HG13  ILE  81          HG11      ILE  81 -19.848  10.246   2.429
  632   HG21  ILE  81          HG21      ILE  81 -21.883  11.030  -0.554
  633   HG22  ILE  81          HG22      ILE  81 -21.908  10.289   1.044
  634   HG23  ILE  81          HG23      ILE  81 -21.255   9.401  -0.329
  635   HD11  ILE  81          HD11      ILE  81 -18.847   8.537   0.139
  636   HD12  ILE  81          HD12      ILE  81 -20.258   8.244   1.150
  637   HD13  ILE  81          HD13      ILE  81 -18.639   8.113   1.834
  638    H    ASN  82           HN       ASN  82 -18.735  13.432  -0.307
  639    HA   ASN  82           HA       ASN  82 -20.666  14.515  -2.160
  640    HB2  ASN  82           HB2      ASN  82 -19.373  16.701  -1.680
  641    HB3  ASN  82           HB1      ASN  82 -20.209  15.922  -0.338
  642   HD21  ASN  82          HD21      ASN  82 -18.946  15.794   1.497
  643   HD22  ASN  82          HD22      ASN  82 -17.258  15.653   1.518
  644    H    HIS  83           HN       HIS  83 -17.384  13.477  -2.494
  645    HA   HIS  83           HA       HIS  83 -17.007  15.134  -4.886
  646    HB2  HIS  83           HB2      HIS  83 -15.286  13.059  -3.557
  647    HB3  HIS  83           HB1      HIS  83 -14.856  13.789  -5.097
  648    HD1  HIS  83           HD1      HIS  83 -12.795  14.639  -3.391
  649    HD2  HIS  83           HD2      HIS  83 -16.520  16.482  -3.028
  650    HE1  HIS  83           HE1      HIS  83 -12.396  16.833  -2.185
  651    HE2  HIS  83           HE2      HIS  83 -14.657  17.961  -1.957
  652    H    ARG  84           HN       ARG  84 -18.416  12.047  -4.253
  653    HA   ARG  84           HA       ARG  84 -18.071  11.338  -7.127
  654    HB2  ARG  84           HB2      ARG  84 -18.411   9.456  -4.807
  655    HB3  ARG  84           HB1      ARG  84 -18.143   8.996  -6.488
  656    HG2  ARG  84           HG2      ARG  84 -16.233  10.673  -4.829
  657    HG3  ARG  84           HG1      ARG  84 -16.044   8.949  -5.137
  658    HD2  ARG  84           HD2      ARG  84 -16.351   9.837  -7.682
  659    HD3  ARG  84           HD1      ARG  84 -15.600  11.254  -6.952
  660    HE   ARG  84           HE       ARG  84 -14.019   9.158  -6.081
  661   HH11  ARG  84          HH21      ARG  84 -15.206  10.297  -9.110
  662   HH12  ARG  84          HH22      ARG  84 -13.834   9.739 -10.009
  663   HH21  ARG  84          HH11      ARG  84 -12.221   8.422  -7.236
  664   HH22  ARG  84          HH12      ARG  84 -12.144   8.677  -8.947
  665    H    HIS  85           HN       HIS  85 -20.412  11.161  -4.461
  666    HA   HIS  85           HA       HIS  85 -22.542  11.166  -6.520
  667    HB2  HIS  85           HB2      HIS  85 -23.554   9.387  -4.682
  668    HB3  HIS  85           HB1      HIS  85 -22.830   8.939  -6.226
  669    HD1  HIS  85           HD1      HIS  85 -21.071   7.205  -5.956
  670    HD2  HIS  85           HD2      HIS  85 -21.236   9.730  -2.644
  671    HE1  HIS  85           HE1      HIS  85 -19.299   6.381  -4.343
  672    H    MET  86           HN       MET  86 -21.507  11.682  -3.246
  673    HA   MET  86           HA       MET  86 -22.385  13.065  -1.560
  674    HB2  MET  86           HB2      MET  86 -22.633  14.554  -3.706
  675    HB3  MET  86           HB1      MET  86 -24.351  14.187  -3.536
  676    HG2  MET  86           HG2      MET  86 -23.811  14.840  -0.983
  677    HG3  MET  86           HG1      MET  86 -22.579  15.816  -1.782
  678    HE1  MET  86           HE1      MET  86 -23.122  18.251  -2.468
  679    HE2  MET  86           HE2      MET  86 -23.492  17.803  -0.804
  680    HE3  MET  86           HE3      MET  86 -24.609  18.828  -1.702
  681    H    ARG  87           HN       ARG  87 -23.520  10.431  -2.044
  682    HA   ARG  87           HA       ARG  87 -26.401  10.810  -1.467
  683    HB2  ARG  87           HB2      ARG  87 -24.912   8.833  -2.845
  684    HB3  ARG  87           HB1      ARG  87 -25.560   8.057  -1.400
  685    HG2  ARG  87           HG2      ARG  87 -27.197   7.859  -3.186
  686    HG3  ARG  87           HG1      ARG  87 -27.815   8.983  -1.975
  687    HD2  ARG  87           HD2      ARG  87 -27.994  10.574  -3.553
  688    HD3  ARG  87           HD1      ARG  87 -26.254  10.488  -3.828
  689    HE   ARG  87           HE       ARG  87 -27.327   8.318  -5.230
  690   HH11  ARG  87          HH21      ARG  87 -27.687  11.746  -5.116
  691   HH12  ARG  87          HH22      ARG  87 -28.098  11.892  -6.792
  692   HH21  ARG  87          HH11      ARG  87 -27.861   8.489  -7.420
  693   HH22  ARG  87          HH12      ARG  87 -28.196  10.049  -8.097
  694    H    ALA  88           HN       ALA  88 -27.237   9.235   0.322
  695    HA   ALA  88           HA       ALA  88 -25.785   9.884   2.767
  696    HB1  ALA  88           HB1      ALA  88 -28.441   8.896   2.041
  697    HB2  ALA  88           HB2      ALA  88 -27.943   9.840   3.445
  698    HB3  ALA  88           HB3      ALA  88 -27.782   8.084   3.462
  699    H    GLY  89           HN       GLY  89 -27.017   6.733   1.584
  700    HA2  GLY  89           HA2      GLY  89 -24.669   5.281   1.444
  701    HA3  GLY  89           HA1      GLY  89 -25.043   5.295   3.169
  Start of MODEL   13
    1    H1   VAL   1           HT1      VAL   1 -16.962  -6.613   3.882
    2    H2   VAL   1           HT2      VAL   1 -15.664  -6.385   2.810
    3    H3   VAL   1           HT3      VAL   1 -16.690  -5.086   3.194
    4    HA   VAL   1           HA       VAL   1 -14.547  -4.952   4.357
    5    HB   VAL   1           HB       VAL   1 -15.599  -4.792   6.686
    6   HG11  VAL   1          HG11      VAL   1 -15.630  -2.777   5.511
    7   HG12  VAL   1          HG12      VAL   1 -17.352  -3.053   5.765
    8   HG13  VAL   1          HG13      VAL   1 -16.619  -3.436   4.208
    9   HG21  VAL   1          HG21      VAL   1 -17.824  -5.385   7.014
   10   HG22  VAL   1          HG22      VAL   1 -17.322  -6.645   5.886
   11   HG23  VAL   1          HG23      VAL   1 -18.221  -5.245   5.301
   12    H    HIS   2           HN       HIS   2 -13.085  -5.922   5.785
   13    HA   HIS   2           HA       HIS   2 -11.932  -7.641   6.856
   14    HB2  HIS   2           HB2      HIS   2 -14.000  -7.775   8.259
   15    HB3  HIS   2           HB1      HIS   2 -14.630  -8.984   7.143
   16    HD1  HIS   2           HD1      HIS   2 -12.150  -8.513   9.884
   17    HD2  HIS   2           HD2      HIS   2 -13.216 -11.480   7.155
   18    HE1  HIS   2           HE1      HIS   2 -11.029 -10.646  10.671
   19    HE2  HIS   2           HE2      HIS   2 -11.671 -12.459   9.018
   20    H    PHE   3           HN       PHE   3 -14.496  -9.098   4.867
   21    HA   PHE   3           HA       PHE   3 -12.758 -11.251   3.981
   22    HB2  PHE   3           HB2      PHE   3 -15.498 -10.289   3.153
   23    HB3  PHE   3           HB1      PHE   3 -14.669 -11.574   2.276
   24    HD1  PHE   3           HD2      PHE   3 -16.209 -10.605   5.485
   25    HD2  PHE   3           HD1      PHE   3 -14.269 -13.750   3.295
   26    HE1  PHE   3           HE2      PHE   3 -16.917 -12.241   7.207
   27    HE2  PHE   3           HE1      PHE   3 -14.976 -15.386   5.018
   28    HZ   PHE   3           HZ       PHE   3 -16.300 -14.633   6.975
   29    H    CYS   4           HN       CYS   4 -11.019 -10.669   2.720
   30    HA   CYS   4           HA       CYS   4 -10.659  -8.378   1.201
   31    HB2  CYS   4           HB2      CYS   4  -8.984 -10.255   1.603
   32    HB3  CYS   4           HB1      CYS   4  -9.738 -11.098   0.250
   33    H    ASP   5           HN       ASP   5 -11.134  -7.754  -0.933
   34    HA   ASP   5           HA       ASP   5 -13.534  -9.015  -2.054
   35    HB2  ASP   5           HB2      ASP   5 -12.147  -6.805  -3.488
   36    HB3  ASP   5           HB1      ASP   5 -13.867  -7.037  -3.174
   37    H    LYS   6           HN       LYS   6 -10.089  -8.865  -2.754
   38    HA   LYS   6           HA       LYS   6 -10.518 -10.041  -5.424
   39    HB2  LYS   6           HB2      LYS   6  -8.332  -8.680  -4.028
   40    HB3  LYS   6           HB1      LYS   6  -7.798 -10.083  -4.953
   41    HG2  LYS   6           HG2      LYS   6  -9.642  -8.003  -6.139
   42    HG3  LYS   6           HG1      LYS   6  -7.890  -7.842  -6.205
   43    HD2  LYS   6           HD2      LYS   6  -7.681  -9.448  -7.794
   44    HD3  LYS   6           HD1      LYS   6  -8.854 -10.502  -7.006
   45    HE2  LYS   6           HE2      LYS   6 -10.703  -9.272  -7.954
   46    HE3  LYS   6           HE1      LYS   6  -9.619  -8.028  -8.576
   47    HZ1  LYS   6           HZ1      LYS   6 -10.032 -10.776  -9.526
   48    HZ2  LYS   6           HZ2      LYS   6  -8.522 -10.036  -9.767
   49    HZ3  LYS   6           HZ3      LYS   6  -9.927  -9.335 -10.415
   50    H    CYS   7           HN       CYS   7  -9.018 -10.945  -2.324
   51    HA   CYS   7           HA       CYS   7  -8.555 -13.663  -3.324
   52    HB2  CYS   7           HB2      CYS   7  -8.173 -12.683  -0.495
   53    HB3  CYS   7           HB1      CYS   7  -7.385 -14.049  -1.283
   54    H    GLY   8           HN       GLY   8 -10.893 -11.972  -1.339
   55    HA2  GLY   8           HA2      GLY   8 -12.997 -12.746  -0.598
   56    HA3  GLY   8           HA1      GLY   8 -12.669 -14.275  -1.413
   57    H    LEU   9           HN       LEU   9 -10.123 -13.353   0.622
   58    HA   LEU   9           HA       LEU   9 -10.994 -15.360   2.651
   59    HB2  LEU   9           HB2      LEU   9  -8.401 -14.499   1.513
   60    HB3  LEU   9           HB1      LEU   9  -8.387 -14.791   3.251
   61    HG   LEU   9           HG       LEU   9  -9.359 -17.028   2.890
   62   HD11  LEU   9          HD11      LEU   9  -9.725 -15.921   0.195
   63   HD12  LEU   9          HD12      LEU   9 -10.581 -17.242   0.993
   64   HD13  LEU   9          HD13      LEU   9  -9.036 -17.545   0.195
   65   HD21  LEU   9          HD21      LEU   9  -6.850 -16.595   2.791
   66   HD22  LEU   9          HD22      LEU   9  -6.997 -16.639   1.033
   67   HD23  LEU   9          HD23      LEU   9  -7.391 -18.069   1.987
   68    HA   PRO  10           HA       PRO  10 -11.540 -12.218   5.690
   69    HB2  PRO  10           HB2      PRO  10 -10.473 -13.356   7.944
   70    HB3  PRO  10           HB1      PRO  10 -12.069 -13.748   7.278
   71    HG2  PRO  10           HG2      PRO  10  -9.514 -15.247   7.067
   72    HG3  PRO  10           HG1      PRO  10 -11.173 -15.852   7.199
   73    HD2  PRO  10           HD2      PRO  10  -9.775 -15.794   4.836
   74    HD3  PRO  10           HD1      PRO  10 -11.547 -15.710   4.924
   75    H    ILE  11           HN       ILE  11 -10.322 -10.491   5.292
   76    HA   ILE  11           HA       ILE  11  -7.538 -10.243   5.131
   77    HB   ILE  11           HB       ILE  11  -9.649  -8.236   5.960
   78   HG12  ILE  11          HG12      ILE  11  -8.232  -8.532   3.315
   79   HG13  ILE  11          HG11      ILE  11  -9.708  -9.422   3.673
   80   HG21  ILE  11          HG21      ILE  11  -6.795  -7.790   5.071
   81   HG22  ILE  11          HG22      ILE  11  -7.452  -7.404   6.656
   82   HG23  ILE  11          HG23      ILE  11  -8.001  -6.523   5.233
   83   HD11  ILE  11          HD11      ILE  11  -9.885  -6.573   4.355
   84   HD12  ILE  11          HD12      ILE  11 -11.007  -7.582   3.442
   85   HD13  ILE  11          HD13      ILE  11  -9.611  -6.863   2.638
   86    H    LYS  12           HN       LYS  12  -6.226 -11.010   6.755
   87    HA   LYS  12           HA       LYS  12  -6.871 -10.707   9.576
   88    HB2  LYS  12           HB2      LYS  12  -4.202 -11.303   8.247
   89    HB3  LYS  12           HB1      LYS  12  -4.577 -11.525   9.956
   90    HG2  LYS  12           HG2      LYS  12  -6.622 -12.902   8.701
   91    HG3  LYS  12           HG1      LYS  12  -5.232 -13.238   7.668
   92    HD2  LYS  12           HD2      LYS  12  -5.365 -13.649  10.670
   93    HD3  LYS  12           HD1      LYS  12  -5.366 -14.918   9.445
   94    HE2  LYS  12           HE2      LYS  12  -3.136 -13.489   8.741
   95    HE3  LYS  12           HE1      LYS  12  -3.118 -13.326  10.497
   96    HZ1  LYS  12           HZ1      LYS  12  -2.895 -15.565  10.799
   97    HZ2  LYS  12           HZ2      LYS  12  -2.040 -15.382   9.341
   98    HZ3  LYS  12           HZ3      LYS  12  -3.636 -15.964   9.327
   99    H    VAL  13           HN       VAL  13  -4.955  -9.002   7.176
  100    HA   VAL  13           HA       VAL  13  -4.884  -6.631   8.937
  101    HB   VAL  13           HB       VAL  13  -2.468  -7.204   7.327
  102   HG11  VAL  13          HG11      VAL  13  -2.913  -6.039  10.087
  103   HG12  VAL  13          HG12      VAL  13  -2.733  -5.107   8.601
  104   HG13  VAL  13          HG13      VAL  13  -1.379  -6.053   9.218
  105   HG21  VAL  13          HG21      VAL  13  -3.122  -8.601   9.931
  106   HG22  VAL  13          HG22      VAL  13  -1.492  -8.494   9.267
  107   HG23  VAL  13          HG23      VAL  13  -2.748  -9.361   8.384
  108    H    TYR  14           HN       TYR  14  -5.106  -4.740   7.690
  109    HA   TYR  14           HA       TYR  14  -6.137  -5.126   5.016
  110    HB2  TYR  14           HB2      TYR  14  -5.682  -2.773   6.788
  111    HB3  TYR  14           HB1      TYR  14  -5.931  -2.496   5.067
  112    HD1  TYR  14           HD1      TYR  14  -7.404  -5.151   7.263
  113    HD2  TYR  14           HD2      TYR  14  -8.107  -1.634   4.911
  114    HE1  TYR  14           HE1      TYR  14  -9.842  -5.442   7.563
  115    HE2  TYR  14           HE2      TYR  14 -10.551  -1.919   5.214
  116    HH   TYR  14           HH       TYR  14 -12.105  -4.006   5.703
  117    H    GLY  15           HN       GLY  15  -4.838  -5.545   3.346
  118    HA2  GLY  15           HA2      GLY  15  -2.074  -4.626   3.241
  119    HA3  GLY  15           HA1      GLY  15  -2.921  -5.511   1.966
  120    H    ARG  16           HN       ARG  16  -2.670  -2.361   3.505
  121    HA   ARG  16           HA       ARG  16  -4.309  -0.875   1.735
  122    HB2  ARG  16           HB2      ARG  16  -2.926  -0.254   3.949
  123    HB3  ARG  16           HB1      ARG  16  -1.790   0.355   2.753
  124    HG2  ARG  16           HG2      ARG  16  -3.083   2.237   2.993
  125    HG3  ARG  16           HG1      ARG  16  -4.000   1.431   1.722
  126    HD2  ARG  16           HD2      ARG  16  -5.534   0.489   3.379
  127    HD3  ARG  16           HD1      ARG  16  -4.577   1.166   4.693
  128    HE   ARG  16           HE       ARG  16  -5.673   3.206   4.335
  129   HH11  ARG  16          HH21      ARG  16  -5.783   1.219   1.519
  130   HH12  ARG  16          HH22      ARG  16  -6.821   2.295   0.645
  131   HH21  ARG  16          HH11      ARG  16  -7.029   4.610   3.214
  132   HH22  ARG  16          HH12      ARG  16  -7.527   4.213   1.603
  133    H    MET  17           HN       MET  17  -3.945   0.074  -0.240
  134    HA   MET  17           HA       MET  17  -1.256  -0.313  -1.494
  135    HB2  MET  17           HB2      MET  17  -3.882  -0.533  -2.982
  136    HB3  MET  17           HB1      MET  17  -2.276  -0.977  -3.553
  137    HG2  MET  17           HG2      MET  17  -2.428  -2.520  -1.332
  138    HG3  MET  17           HG1      MET  17  -4.130  -2.461  -1.789
  139    HE1  MET  17           HE1      MET  17  -0.648  -2.595  -3.092
  140    HE2  MET  17           HE2      MET  17  -0.571  -3.952  -4.212
  141    HE3  MET  17           HE3      MET  17  -0.738  -4.253  -2.488
  142    H    ILE  18           HN       ILE  18  -0.461   1.580  -2.323
  143    HA   ILE  18           HA       ILE  18  -2.384   3.804  -2.838
  144    HB   ILE  18           HB       ILE  18  -0.014   5.083  -2.395
  145   HG12  ILE  18          HG12      ILE  18  -0.063   2.721  -0.498
  146   HG13  ILE  18          HG11      ILE  18   1.079   2.948  -1.822
  147   HG21  ILE  18          HG21      ILE  18  -0.907   5.637  -0.177
  148   HG22  ILE  18          HG22      ILE  18  -1.949   4.218  -0.218
  149   HG23  ILE  18          HG23      ILE  18  -2.239   5.556  -1.325
  150   HD11  ILE  18          HD11      ILE  18   2.117   3.722   0.235
  151   HD12  ILE  18          HD12      ILE  18   0.725   4.745   0.588
  152   HD13  ILE  18          HD13      ILE  18   1.768   5.121  -0.782
  153    HA   PRO  19           HA       PRO  19  -1.848   5.954  -3.565
  154    HB2  PRO  19           HB2      PRO  19  -2.570   7.397  -5.727
  155    HB3  PRO  19           HB1      PRO  19  -0.910   7.414  -5.099
  156    HG2  PRO  19           HG2      PRO  19  -2.023   6.019  -7.466
  157    HG3  PRO  19           HG1      PRO  19  -0.427   6.745  -7.225
  158    HD2  PRO  19           HD2      PRO  19  -1.012   4.009  -7.028
  159    HD3  PRO  19           HD1      PRO  19   0.445   4.801  -6.401
  160    H    CYS  20           HN       CYS  20  -2.994   3.453  -5.435
  161    HA   CYS  20           HA       CYS  20  -5.611   4.190  -6.183
  162    HB2  CYS  20           HB2      CYS  20  -4.472   1.987  -6.674
  163    HB3  CYS  20           HB1      CYS  20  -4.819   1.509  -5.012
  164    H    LYS  21           HN       LYS  21  -4.268   3.459  -3.034
  165    HA   LYS  21           HA       LYS  21  -5.158   3.788  -0.899
  166    HB2  LYS  21           HB2      LYS  21  -6.546   5.649  -2.522
  167    HB3  LYS  21           HB1      LYS  21  -7.782   4.815  -1.583
  168    HG2  LYS  21           HG2      LYS  21  -6.611   5.334   0.490
  169    HG3  LYS  21           HG1      LYS  21  -5.280   6.063  -0.408
  170    HD2  LYS  21           HD2      LYS  21  -8.042   7.092  -0.910
  171    HD3  LYS  21           HD1      LYS  21  -7.240   7.560   0.589
  172    HE2  LYS  21           HE2      LYS  21  -5.694   7.762  -1.967
  173    HE3  LYS  21           HE1      LYS  21  -6.915   8.988  -1.628
  174    HZ1  LYS  21           HZ1      LYS  21  -4.466   9.225  -0.760
  175    HZ2  LYS  21           HZ2      LYS  21  -5.055   8.268   0.514
  176    HZ3  LYS  21           HZ3      LYS  21  -5.781   9.764   0.165
  177    H    HIS  22           HN       HIS  22  -5.665   1.465  -2.698
  178    HA   HIS  22           HA       HIS  22  -8.300   0.524  -1.738
  179    HB2  HIS  22           HB2      HIS  22  -6.543  -0.108  -3.986
  180    HB3  HIS  22           HB1      HIS  22  -7.136  -1.552  -3.168
  181    HD2  HIS  22           HD2      HIS  22 -10.203  -0.641  -2.495
  182    HE1  HIS  22           HE1      HIS  22 -10.503   0.287  -6.604
  183    HE2  HIS  22           HE2      HIS  22 -11.820  -0.166  -4.485
  184    H    VAL  23           HN       VAL  23  -8.202  -1.975  -1.062
  185    HA   VAL  23           HA       VAL  23  -5.756  -2.520   0.512
  186    HB   VAL  23           HB       VAL  23  -6.743  -2.545   2.592
  187   HG11  VAL  23          HG11      VAL  23  -8.538  -0.592   1.128
  188   HG12  VAL  23          HG12      VAL  23  -6.885  -0.251   1.634
  189   HG13  VAL  23          HG13      VAL  23  -8.128  -0.561   2.841
  190   HG21  VAL  23          HG21      VAL  23  -9.324  -2.652   2.789
  191   HG22  VAL  23          HG22      VAL  23  -8.482  -4.126   2.314
  192   HG23  VAL  23          HG23      VAL  23  -9.299  -3.142   1.096
  193    H    PHE  24           HN       PHE  24  -5.533  -4.721   1.159
  194    HA   PHE  24           HA       PHE  24  -7.561  -6.700   0.422
  195    HB2  PHE  24           HB2      PHE  24  -4.892  -6.876  -0.991
  196    HB3  PHE  24           HB1      PHE  24  -6.327  -7.863  -1.265
  197    HD1  PHE  24           HD1      PHE  24  -8.335  -6.885  -2.362
  198    HD2  PHE  24           HD2      PHE  24  -4.668  -4.712  -1.943
  199    HE1  PHE  24           HE1      PHE  24  -9.107  -5.264  -4.068
  200    HE2  PHE  24           HE2      PHE  24  -5.431  -3.084  -3.647
  201    HZ   PHE  24           HZ       PHE  24  -7.647  -3.364  -4.722
  202    H    CYS  25           HN       CYS  25  -6.648  -8.971   0.945
  203    HA   CYS  25           HA       CYS  25  -5.600  -9.030   3.540
  204    HB2  CYS  25           HB2      CYS  25  -4.536 -11.312   2.215
  205    HB3  CYS  25           HB1      CYS  25  -5.967 -11.227   3.240
  206    H    TYR  26           HN       TYR  26  -3.763  -8.077   4.203
  207    HA   TYR  26           HA       TYR  26  -1.609  -7.249   2.636
  208    HB2  TYR  26           HB2      TYR  26  -1.975  -6.610   5.012
  209    HB3  TYR  26           HB1      TYR  26  -1.501  -8.232   5.495
  210    HD1  TYR  26           HD1      TYR  26  -0.057  -5.676   3.089
  211    HD2  TYR  26           HD2      TYR  26   0.598  -8.262   6.463
  212    HE1  TYR  26           HE1      TYR  26   2.306  -4.979   3.166
  213    HE2  TYR  26           HE2      TYR  26   2.969  -7.561   6.529
  214    HH   TYR  26           HH       TYR  26   4.618  -6.534   5.314
  215    H    ASP  27           HN       ASP  27  -2.472 -10.443   3.516
  216    HA   ASP  27           HA       ASP  27   0.198 -11.565   3.174
  217    HB2  ASP  27           HB2      ASP  27  -1.606 -12.679   4.539
  218    HB3  ASP  27           HB1      ASP  27  -2.482 -12.983   3.038
  219    H    CYS  28           HN       CYS  28  -2.676 -11.039   1.227
  220    HA   CYS  28           HA       CYS  28  -1.493 -12.361  -1.098
  221    HB2  CYS  28           HB2      CYS  28  -3.554 -12.095  -2.126
  222    HB3  CYS  28           HB1      CYS  28  -4.059 -12.028  -0.437
  223    H    ALA  29           HN       ALA  29  -1.683  -9.166   0.258
  224    HA   ALA  29           HA       ALA  29  -1.025  -7.747  -2.155
  225    HB1  ALA  29           HB1      ALA  29  -0.140  -6.661   0.470
  226    HB2  ALA  29           HB2      ALA  29  -1.864  -6.992   0.317
  227    HB3  ALA  29           HB3      ALA  29  -1.079  -5.882  -0.805
  228    H    ILE  30           HN       ILE  30   0.866  -9.277   0.428
  229    HA   ILE  30           HA       ILE  30   3.380  -8.323  -0.707
  230    HB   ILE  30           HB       ILE  30   4.430  -9.670   1.022
  231   HG12  ILE  30          HG12      ILE  30   1.641 -10.700   1.605
  232   HG13  ILE  30          HG11      ILE  30   2.928 -11.655   0.879
  233   HG21  ILE  30          HG21      ILE  30   2.429  -7.665   1.433
  234   HG22  ILE  30          HG22      ILE  30   3.907  -7.947   2.348
  235   HG23  ILE  30          HG23      ILE  30   2.421  -8.769   2.804
  236   HD11  ILE  30          HD11      ILE  30   4.324 -11.092   2.944
  237   HD12  ILE  30          HD12      ILE  30   2.978 -12.206   3.190
  238   HD13  ILE  30          HD13      ILE  30   2.823 -10.517   3.672
  239    H    LEU  31           HN       LEU  31   1.418 -11.274  -0.816
  240    HA   LEU  31           HA       LEU  31   3.459 -12.830  -2.162
  241    HB2  LEU  31           HB2      LEU  31   0.493 -13.101  -1.839
  242    HB3  LEU  31           HB1      LEU  31   1.320 -14.105  -3.020
  243    HG   LEU  31           HG       LEU  31   2.434 -13.904  -0.243
  244   HD11  LEU  31          HD11      LEU  31  -0.105 -15.237  -1.073
  245   HD12  LEU  31          HD12      LEU  31   0.343 -14.549   0.487
  246   HD13  LEU  31          HD13      LEU  31   0.965 -16.129   0.010
  247   HD21  LEU  31          HD21      LEU  31   3.547 -15.844  -0.826
  248   HD22  LEU  31          HD22      LEU  31   3.337 -15.153  -2.436
  249   HD23  LEU  31          HD23      LEU  31   2.237 -16.407  -1.864
  250    H    HIS  32           HN       HIS  32   1.271 -10.326  -3.140
  251    HA   HIS  32           HA       HIS  32   1.481 -10.976  -5.995
  252    HB2  HIS  32           HB2      HIS  32   0.063  -8.986  -4.328
  253    HB3  HIS  32           HB1      HIS  32   0.595  -8.388  -5.899
  254    HD1  HIS  32           HD1      HIS  32  -0.691  -9.161  -7.936
  255    HD2  HIS  32           HD2      HIS  32  -1.676 -11.346  -4.522
  256    HE1  HIS  32           HE1      HIS  32  -2.662 -10.626  -8.565
  257    HE2  HIS  32           HE2      HIS  32  -3.269 -11.960  -6.495
  258    H    GLU  33           HN       GLU  33   2.946  -8.830  -3.626
  259    HA   GLU  33           HA       GLU  33   4.536  -7.349  -5.554
  260    HB2  GLU  33           HB2      GLU  33   3.985  -7.240  -2.757
  261    HB3  GLU  33           HB1      GLU  33   5.733  -7.368  -2.944
  262    HG2  GLU  33           HG2      GLU  33   4.034  -5.379  -4.473
  263    HG3  GLU  33           HG1      GLU  33   4.848  -5.006  -2.954
  264    H    LYS  34           HN       LYS  34   4.983 -10.283  -3.648
  265    HA   LYS  34           HA       LYS  34   7.831 -10.442  -4.330
  266    HB2  LYS  34           HB2      LYS  34   5.914 -12.103  -2.731
  267    HB3  LYS  34           HB1      LYS  34   7.430 -12.823  -3.272
  268    HG2  LYS  34           HG2      LYS  34   8.735 -11.355  -2.014
  269    HG3  LYS  34           HG1      LYS  34   7.471 -10.126  -1.953
  270    HD2  LYS  34           HD2      LYS  34   6.169 -11.456  -0.399
  271    HD3  LYS  34           HD1      LYS  34   7.285 -12.812  -0.560
  272    HE2  LYS  34           HE2      LYS  34   9.092 -11.469   0.419
  273    HE3  LYS  34           HE1      LYS  34   8.012 -10.079   0.538
  274    HZ1  LYS  34           HZ1      LYS  34   8.283 -11.454   2.610
  275    HZ2  LYS  34           HZ2      LYS  34   7.409 -12.679   1.820
  276    HZ3  LYS  34           HZ3      LYS  34   6.685 -11.172   2.117
  277    H    LYS  35           HN       LYS  35   4.793 -11.840  -5.444
  278    HA   LYS  35           HA       LYS  35   6.084 -13.848  -7.094
  279    HB2  LYS  35           HB2      LYS  35   3.272 -12.763  -6.956
  280    HB3  LYS  35           HB1      LYS  35   3.753 -13.929  -8.187
  281    HG2  LYS  35           HG2      LYS  35   4.401 -15.543  -6.504
  282    HG3  LYS  35           HG1      LYS  35   4.145 -14.368  -5.215
  283    HD2  LYS  35           HD2      LYS  35   1.887 -14.657  -5.228
  284    HD3  LYS  35           HD1      LYS  35   1.818 -14.774  -6.987
  285    HE2  LYS  35           HE2      LYS  35   2.476 -17.073  -6.955
  286    HE3  LYS  35           HE1      LYS  35   2.931 -16.988  -5.253
  287    HZ1  LYS  35           HZ1      LYS  35   0.722 -16.867  -4.588
  288    HZ2  LYS  35           HZ2      LYS  35   0.688 -18.015  -5.840
  289    HZ3  LYS  35           HZ3      LYS  35   0.169 -16.423  -6.129
  290    H    GLY  36           HN       GLY  36   5.829 -10.515  -7.385
  291    HA2  GLY  36           HA2      GLY  36   6.831  -9.296  -9.215
  292    HA3  GLY  36           HA1      GLY  36   6.551 -10.688 -10.263
  293    H    ASP  37           HN       ASP  37   4.164  -9.310  -8.088
  294    HA   ASP  37           HA       ASP  37   2.658  -8.217 -10.410
  295    HB2  ASP  37           HB2      ASP  37   1.601  -9.994  -8.194
  296    HB3  ASP  37           HB1      ASP  37   0.566  -9.081  -9.291
  297    H    LYS  38           HN       LYS  38   4.117  -6.517  -9.013
  298    HA   LYS  38           HA       LYS  38   2.996  -5.518  -6.574
  299    HB2  LYS  38           HB2      LYS  38   4.202  -3.328  -7.556
  300    HB3  LYS  38           HB1      LYS  38   5.113  -4.671  -6.866
  301    HG2  LYS  38           HG2      LYS  38   5.658  -5.551  -8.988
  302    HG3  LYS  38           HG1      LYS  38   4.395  -4.619  -9.794
  303    HD2  LYS  38           HD2      LYS  38   6.385  -2.992  -8.341
  304    HD3  LYS  38           HD1      LYS  38   7.028  -3.882  -9.720
  305    HE2  LYS  38           HE2      LYS  38   5.291  -2.931 -11.172
  306    HE3  LYS  38           HE1      LYS  38   4.595  -2.073  -9.797
  307    HZ1  LYS  38           HZ1      LYS  38   6.652  -1.231 -11.464
  308    HZ2  LYS  38           HZ2      LYS  38   7.353  -1.530  -9.946
  309    HZ3  LYS  38           HZ3      LYS  38   6.050  -0.449 -10.084
  310    H    MET  39           HN       MET  39   1.252  -5.829  -9.182
  311    HA   MET  39           HA       MET  39   0.214  -3.069  -9.352
  312    HB2  MET  39           HB2      MET  39  -0.478  -5.591 -10.874
  313    HB3  MET  39           HB1      MET  39  -1.237  -4.022 -11.153
  314    HG2  MET  39           HG2      MET  39   0.750  -3.053 -11.940
  315    HG3  MET  39           HG1      MET  39   1.758  -4.292 -11.192
  316    HE1  MET  39           HE1      MET  39  -1.020  -4.841 -14.798
  317    HE2  MET  39           HE2      MET  39  -1.064  -3.581 -13.566
  318    HE3  MET  39           HE3      MET  39  -1.598  -5.212 -13.168
  319    H    CYS  40           HN       CYS  40  -1.664  -2.439  -8.356
  320    HA   CYS  40           HA       CYS  40  -2.814  -3.699  -6.196
  321    HB2  CYS  40           HB2      CYS  40  -3.401  -1.418  -6.817
  322    HB3  CYS  40           HB1      CYS  40  -4.231  -1.997  -8.262
  323    HA   PRO  41           HA       PRO  41  -4.382  -7.407  -8.416
  324    HB2  PRO  41           HB2      PRO  41  -5.596  -7.871  -5.732
  325    HB3  PRO  41           HB1      PRO  41  -4.668  -8.981  -6.756
  326    HG2  PRO  41           HG2      PRO  41  -3.613  -7.850  -4.582
  327    HG3  PRO  41           HG1      PRO  41  -2.654  -8.180  -6.033
  328    HD2  PRO  41           HD2      PRO  41  -3.655  -5.576  -4.996
  329    HD3  PRO  41           HD1      PRO  41  -2.207  -5.928  -5.963
  330    H    GLY  42           HN       GLY  42  -6.084  -4.892  -6.734
  331    HA2  GLY  42           HA2      GLY  42  -8.722  -5.891  -7.651
  332    HA3  GLY  42           HA1      GLY  42  -8.457  -4.510  -6.590
  333    H    CYS  43           HN       CYS  43  -6.674  -2.970  -8.048
  334    HA   CYS  43           HA       CYS  43  -8.395  -2.163 -10.324
  335    HB2  CYS  43           HB2      CYS  43  -6.143  -0.657  -8.974
  336    HB3  CYS  43           HB1      CYS  43  -7.252  -0.007 -10.183
  337    H    SER  44           HN       SER  44  -5.165  -3.246  -9.566
  338    HA   SER  44           HA       SER  44  -3.556  -4.174 -11.006
  339    HB2  SER  44           HB2      SER  44  -5.771  -4.536 -12.480
  340    HB3  SER  44           HB1      SER  44  -4.989  -3.319 -13.481
  341    HG   SER  44           HG       SER  44  -3.463  -4.705 -13.972
  342    H    ASP  45           HN       ASP  45  -3.086  -1.752  -9.952
  343    HA   ASP  45           HA       ASP  45  -1.832  -0.249 -12.195
  344    HB2  ASP  45           HB2      ASP  45  -3.816   0.689 -10.274
  345    HB3  ASP  45           HB1      ASP  45  -2.338   1.650 -10.215
  346    HA   PRO  46           HA       PRO  46   1.965  -0.473  -9.996
  347    HB2  PRO  46           HB2      PRO  46   2.719   2.236  -9.951
  348    HB3  PRO  46           HB1      PRO  46   3.079   1.072 -11.236
  349    HG2  PRO  46           HG2      PRO  46   0.971   3.144 -11.098
  350    HG3  PRO  46           HG1      PRO  46   1.851   2.512 -12.498
  351    HD2  PRO  46           HD2      PRO  46  -0.723   1.821 -11.987
  352    HD3  PRO  46           HD1      PRO  46   0.424   0.695 -12.749
  353    H    VAL  47           HN       VAL  47   1.427  -1.018  -7.859
  354    HA   VAL  47           HA       VAL  47   0.252   0.840  -5.993
  355    HB   VAL  47           HB       VAL  47   0.701  -0.814  -4.306
  356   HG11  VAL  47          HG11      VAL  47  -1.019  -1.905  -5.267
  357   HG12  VAL  47          HG12      VAL  47   0.157  -2.887  -6.130
  358   HG13  VAL  47          HG13      VAL  47  -0.496  -1.433  -6.875
  359   HG21  VAL  47          HG21      VAL  47   2.854  -1.605  -4.497
  360   HG22  VAL  47          HG22      VAL  47   2.793  -1.659  -6.258
  361   HG23  VAL  47          HG23      VAL  47   2.014  -2.924  -5.309
  362    H    GLN  48           HN       GLN  48   1.396   2.719  -5.558
  363    HA   GLN  48           HA       GLN  48   4.138   3.150  -5.808
  364    HB2  GLN  48           HB2      GLN  48   2.491   4.958  -5.346
  365    HB3  GLN  48           HB1      GLN  48   2.344   4.376  -3.688
  366    HG2  GLN  48           HG2      GLN  48   4.152   5.580  -3.111
  367    HG3  GLN  48           HG1      GLN  48   5.126   4.682  -4.275
  368   HE21  GLN  48          HE21      GLN  48   5.196   5.560  -6.536
  369   HE22  GLN  48          HE22      GLN  48   4.924   7.216  -6.795
  370    H    ARG  49           HN       ARG  49   2.385   2.311  -2.830
  371    HA   ARG  49           HA       ARG  49   4.555   0.538  -2.061
  372    HB2  ARG  49           HB2      ARG  49   4.321   2.186   0.246
  373    HB3  ARG  49           HB1      ARG  49   5.752   1.908  -0.738
  374    HG2  ARG  49           HG2      ARG  49   5.312   3.808  -2.103
  375    HG3  ARG  49           HG1      ARG  49   3.660   3.955  -1.501
  376    HD2  ARG  49           HD2      ARG  49   4.308   5.004   0.417
  377    HD3  ARG  49           HD1      ARG  49   5.781   4.046   0.560
  378    HE   ARG  49           HE       ARG  49   6.925   5.669  -0.746
  379   HH11  ARG  49          HH21      ARG  49   3.504   6.139  -0.708
  380   HH12  ARG  49          HH22      ARG  49   3.583   7.713  -1.425
  381   HH21  ARG  49          HH11      ARG  49   7.039   7.719  -1.684
  382   HH22  ARG  49          HH12      ARG  49   5.581   8.607  -1.978
  383    H    ILE  50           HN       ILE  50   3.617  -1.130  -1.003
  384    HA   ILE  50           HA       ILE  50   0.838  -0.885  -0.179
  385    HB   ILE  50           HB       ILE  50   2.522  -3.239   0.571
  386   HG12  ILE  50          HG12      ILE  50   1.497  -2.670  -2.227
  387   HG13  ILE  50          HG11      ILE  50   3.187  -2.710  -1.746
  388   HG21  ILE  50          HG21      ILE  50  -0.272  -3.005  -0.559
  389   HG22  ILE  50          HG22      ILE  50   0.104  -3.034   1.163
  390   HG23  ILE  50          HG23      ILE  50   0.464  -4.434   0.159
  391   HD11  ILE  50          HD11      ILE  50   2.955  -5.074  -1.080
  392   HD12  ILE  50          HD12      ILE  50   2.525  -4.851  -2.773
  393   HD13  ILE  50          HD13      ILE  50   1.261  -5.048  -1.567
  394    H    GLU  51           HN       GLU  51   0.080  -0.948   1.910
  395    HA   GLU  51           HA       GLU  51   2.095  -0.981   4.095
  396    HB2  GLU  51           HB2      GLU  51  -0.072   1.109   4.074
  397    HB3  GLU  51           HB1      GLU  51   1.389   1.045   5.061
  398    HG2  GLU  51           HG2      GLU  51   2.745   1.232   2.970
  399    HG3  GLU  51           HG1      GLU  51   1.247   1.479   2.072
  400    H    GLN  52           HN       GLN  52   1.252  -1.515   6.133
  401    HA   GLN  52           HA       GLN  52  -1.206  -3.156   5.949
  402    HB2  GLN  52           HB2      GLN  52  -0.426  -4.283   7.918
  403    HB3  GLN  52           HB1      GLN  52   0.974  -4.087   6.863
  404    HG2  GLN  52           HG2      GLN  52   1.322  -1.846   8.171
  405    HG3  GLN  52           HG1      GLN  52   0.290  -2.600   9.386
  406   HE21  GLN  52          HE21      GLN  52   1.028  -4.909  10.053
  407   HE22  GLN  52          HE22      GLN  52   2.700  -5.181  10.154
  408    H    CYS  53           HN       CYS  53  -3.026  -2.718   7.147
  409    HA   CYS  53           HA       CYS  53  -2.903  -0.525   9.151
  410    HB2  CYS  53           HB2      CYS  53  -4.108  -0.345   6.540
  411    HB3  CYS  53           HB1      CYS  53  -5.358  -0.226   7.778
  412    H    THR  54           HN       THR  54  -4.782  -0.531  10.610
  413    HA   THR  54           HA       THR  54  -5.648  -3.265  11.189
  414    HB   THR  54           HB       THR  54  -7.045  -1.448  12.841
  415    HG1  THR  54           HG1      THR  54  -4.855  -0.434  13.519
  416   HG21  THR  54          HG21      THR  54  -4.456  -2.961  13.276
  417   HG22  THR  54          HG22      THR  54  -6.082  -3.592  13.536
  418   HG23  THR  54          HG23      THR  54  -5.467  -2.292  14.557
  419    H    ARG  55           HN       ARG  55  -7.942  -3.832  11.437
  420    HA   ARG  55           HA       ARG  55  -9.522  -3.306   9.198
  421    HB2  ARG  55           HB2      ARG  55 -11.449  -3.838  11.026
  422    HB3  ARG  55           HB1      ARG  55 -10.418  -5.084  10.322
  423    HG2  ARG  55           HG2      ARG  55  -8.999  -5.145  12.206
  424    HG3  ARG  55           HG1      ARG  55  -9.567  -3.582  12.794
  425    HD2  ARG  55           HD2      ARG  55 -11.279  -6.079  12.632
  426    HD3  ARG  55           HD1      ARG  55 -10.497  -5.497  14.101
  427    HE   ARG  55           HE       ARG  55 -12.910  -4.401  12.916
  428   HH11  ARG  55          HH21      ARG  55 -10.043  -3.738  14.712
  429   HH12  ARG  55          HH22      ARG  55 -10.707  -2.355  15.516
  430   HH21  ARG  55          HH11      ARG  55 -13.794  -2.599  13.955
  431   HH22  ARG  55          HH12      ARG  55 -12.831  -1.711  15.088
  432    H    GLY  56           HN       GLY  56 -10.440  -2.043  12.412
  433    HA2  GLY  56           HA2      GLY  56 -12.058   0.034  11.231
  434    HA3  GLY  56           HA1      GLY  56 -11.628  -0.085  12.937
  435    H    SER  57           HN       SER  57  -9.130  -0.021  10.456
  436    HA   SER  57           HA       SER  57  -8.094   2.449  11.673
  437    HB2  SER  57           HB2      SER  57  -6.644   0.462  11.000
  438    HB3  SER  57           HB1      SER  57  -6.936   0.929   9.327
  439    HG   SER  57           HG       SER  57  -6.274   3.121  10.589
  440    H    LEU  58           HN       LEU  58  -9.796   1.425   8.832
  441    HA   LEU  58           HA       LEU  58  -9.558   4.178   7.691
  442    HB2  LEU  58           HB2      LEU  58 -10.530   1.867   6.061
  443    HB3  LEU  58           HB1      LEU  58  -9.667   3.314   5.551
  444    HG   LEU  58           HG       LEU  58  -8.459   1.017   7.124
  445   HD11  LEU  58          HD11      LEU  58  -8.022   1.910   4.258
  446   HD12  LEU  58          HD12      LEU  58  -8.993   0.519   4.737
  447   HD13  LEU  58          HD13      LEU  58  -7.257   0.535   5.054
  448   HD21  LEU  58          HD21      LEU  58  -6.968   2.635   7.716
  449   HD22  LEU  58          HD22      LEU  58  -7.588   3.768   6.515
  450   HD23  LEU  58          HD23      LEU  58  -6.420   2.535   6.043
  451    H    PHE  59           HN       PHE  59 -11.605   4.683   6.295
  452    HA   PHE  59           HA       PHE  59 -13.995   3.959   7.944
  453    HB2  PHE  59           HB2      PHE  59 -13.180   6.464   6.509
  454    HB3  PHE  59           HB1      PHE  59 -14.890   6.129   6.785
  455    HD1  PHE  59           HD2      PHE  59 -15.731   5.780   9.126
  456    HD2  PHE  59           HD1      PHE  59 -11.739   7.131   8.296
  457    HE1  PHE  59           HE2      PHE  59 -15.503   6.553  11.472
  458    HE2  PHE  59           HE1      PHE  59 -11.511   7.903  10.641
  459    HZ   PHE  59           HZ       PHE  59 -13.394   7.614  12.230
  460    H    MET  60           HN       MET  60 -15.294   2.523   6.915
  461    HA   MET  60           HA       MET  60 -15.123   2.136   4.025
  462    HB2  MET  60           HB2      MET  60 -15.777   0.494   6.104
  463    HB3  MET  60           HB1      MET  60 -17.377   0.900   5.483
  464    HG2  MET  60           HG2      MET  60 -16.752  -0.994   4.218
  465    HG3  MET  60           HG1      MET  60 -16.388   0.362   3.151
  466    HE1  MET  60           HE1      MET  60 -15.467  -1.806   2.219
  467    HE2  MET  60           HE2      MET  60 -13.792  -2.318   2.411
  468    HE3  MET  60           HE3      MET  60 -14.152  -0.778   1.635
  469    H    CYS  61           HN       CYS  61 -16.701   2.658   2.493
  470    HA   CYS  61           HA       CYS  61 -18.419   4.927   3.128
  471    HB2  CYS  61           HB2      CYS  61 -17.406   3.621   0.752
  472    HB3  CYS  61           HB1      CYS  61 -19.144   3.876   0.607
  473    H    SER  62           HN       SER  62 -20.540   4.823   3.733
  474    HA   SER  62           HA       SER  62 -21.887   2.152   3.645
  475    HB2  SER  62           HB2      SER  62 -21.740   2.961   5.896
  476    HB3  SER  62           HB1      SER  62 -22.271   4.572   5.420
  477    HG   SER  62           HG       SER  62 -24.221   3.315   4.633
  478    H    ILE  63           HN       ILE  63 -21.957   5.320   2.326
  479    HA   ILE  63           HA       ILE  63 -24.645   5.857   1.845
  480    HB   ILE  63           HB       ILE  63 -22.664   6.092  -0.405
  481   HG12  ILE  63          HG12      ILE  63 -22.213   8.361   1.004
  482   HG13  ILE  63          HG11      ILE  63 -22.465   7.231   2.331
  483   HG21  ILE  63          HG21      ILE  63 -24.755   7.970   0.738
  484   HG22  ILE  63          HG22      ILE  63 -24.983   6.936  -0.673
  485   HG23  ILE  63          HG23      ILE  63 -23.802   8.244  -0.720
  486   HD11  ILE  63          HD11      ILE  63 -20.829   5.693   0.972
  487   HD12  ILE  63          HD12      ILE  63 -20.173   7.007   1.944
  488   HD13  ILE  63          HD13      ILE  63 -20.348   7.203   0.200
  489    H    VAL  64           HN       VAL  64 -22.541   3.867  -0.273
  490    HA   VAL  64           HA       VAL  64 -24.897   2.185  -0.912
  491    HB   VAL  64           HB       VAL  64 -23.230   3.642  -2.984
  492   HG11  VAL  64          HG11      VAL  64 -25.253   2.336  -4.317
  493   HG12  VAL  64          HG12      VAL  64 -24.799   1.153  -3.091
  494   HG13  VAL  64          HG13      VAL  64 -23.586   1.768  -4.215
  495   HG21  VAL  64          HG21      VAL  64 -24.974   5.064  -2.155
  496   HG22  VAL  64          HG22      VAL  64 -26.141   3.742  -2.154
  497   HG23  VAL  64          HG23      VAL  64 -25.564   4.406  -3.682
  498    H    GLN  65           HN       GLN  65 -24.251   0.094  -0.777
  499    HA   GLN  65           HA       GLN  65 -21.645  -0.765  -0.215
  500    HB2  GLN  65           HB2      GLN  65 -23.287  -2.610  -1.870
  501    HB3  GLN  65           HB1      GLN  65 -22.501  -2.890  -0.317
  502    HG2  GLN  65           HG2      GLN  65 -24.265  -1.286   0.664
  503    HG3  GLN  65           HG1      GLN  65 -25.131  -1.509  -0.856
  504   HE21  GLN  65          HE21      GLN  65 -26.196  -3.532  -1.213
  505   HE22  GLN  65          HE22      GLN  65 -26.245  -4.766  -0.049
  506    H    GLY  66           HN       GLY  66 -22.927   0.331  -3.206
  507    HA2  GLY  66           HA2      GLY  66 -21.272  -1.108  -5.038
  508    HA3  GLY  66           HA1      GLY  66 -21.978   0.479  -5.347
  509    H    CYS  67           HN       CYS  67 -20.811   2.186  -3.689
  510    HA   CYS  67           HA       CYS  67 -18.024   2.209  -4.596
  511    HB2  CYS  67           HB2      CYS  67 -18.496   4.415  -4.533
  512    HB3  CYS  67           HB1      CYS  67 -19.943   4.139  -3.562
  513    H    LYS  68           HN       LYS  68 -16.197   2.243  -3.179
  514    HA   LYS  68           HA       LYS  68 -16.612   1.690  -0.319
  515    HB2  LYS  68           HB2      LYS  68 -15.342  -0.327  -2.196
  516    HB3  LYS  68           HB1      LYS  68 -15.217  -0.401  -0.438
  517    HG2  LYS  68           HG2      LYS  68 -17.780  -0.335  -0.404
  518    HG3  LYS  68           HG1      LYS  68 -17.704  -0.655  -2.138
  519    HD2  LYS  68           HD2      LYS  68 -16.305  -2.676  -1.647
  520    HD3  LYS  68           HD1      LYS  68 -16.568  -2.388   0.074
  521    HE2  LYS  68           HE2      LYS  68 -18.350  -3.786  -0.268
  522    HE3  LYS  68           HE1      LYS  68 -19.126  -2.292  -0.791
  523    HZ1  LYS  68           HZ1      LYS  68 -19.491  -3.854  -2.491
  524    HZ2  LYS  68           HZ2      LYS  68 -17.875  -4.379  -2.478
  525    HZ3  LYS  68           HZ3      LYS  68 -18.266  -2.836  -3.071
  526    H    ARG  69           HN       ARG  69 -15.403   3.889  -1.627
  527    HA   ARG  69           HA       ARG  69 -12.511   3.483  -1.701
  528    HB2  ARG  69           HB2      ARG  69 -14.257   5.949  -1.787
  529    HB3  ARG  69           HB1      ARG  69 -12.499   6.029  -1.818
  530    HG2  ARG  69           HG2      ARG  69 -13.352   6.070  -4.109
  531    HG3  ARG  69           HG1      ARG  69 -12.487   4.560  -3.826
  532    HD2  ARG  69           HD2      ARG  69 -15.428   4.600  -3.280
  533    HD3  ARG  69           HD1      ARG  69 -14.901   4.585  -4.962
  534    HE   ARG  69           HE       ARG  69 -14.759   2.350  -3.144
  535   HH11  ARG  69          HH21      ARG  69 -13.150   4.011  -5.700
  536   HH12  ARG  69          HH22      ARG  69 -12.334   2.599  -6.283
  537   HH21  ARG  69          HH11      ARG  69 -13.703   0.495  -3.891
  538   HH22  ARG  69          HH12      ARG  69 -12.648   0.608  -5.259
  539    H    THR  70           HN       THR  70 -11.903   2.742   0.380
  540    HA   THR  70           HA       THR  70 -12.807   3.968   2.811
  541    HB   THR  70           HB       THR  70 -10.300   2.934   3.385
  542    HG1  THR  70           HG1      THR  70  -9.801   1.625   1.845
  543   HG21  THR  70          HG21      THR  70 -11.573   0.954   4.166
  544   HG22  THR  70          HG22      THR  70 -12.981   1.536   3.277
  545   HG23  THR  70          HG23      THR  70 -12.343   2.470   4.630
  546    H    TYR  71           HN       TYR  71 -11.136   5.042   4.343
  547    HA   TYR  71           HA       TYR  71  -9.086   6.632   2.993
  548    HB2  TYR  71           HB2      TYR  71 -11.723   7.729   3.730
  549    HB3  TYR  71           HB1      TYR  71 -10.349   8.664   4.318
  550    HD1  TYR  71           HD2      TYR  71  -8.381   8.955   2.531
  551    HD2  TYR  71           HD1      TYR  71 -12.490   8.161   1.562
  552    HE1  TYR  71           HE2      TYR  71  -8.019   9.861   0.252
  553    HE2  TYR  71           HE1      TYR  71 -12.127   9.066  -0.717
  554    HH   TYR  71           HH       TYR  71  -9.327   9.387  -2.141
  555    H    LEU  72           HN       LEU  72  -8.394   8.371   4.900
  556    HA   LEU  72           HA       LEU  72  -8.071   6.707   7.357
  557    HB2  LEU  72           HB2      LEU  72  -6.033   8.737   7.074
  558    HB3  LEU  72           HB1      LEU  72  -5.843   6.993   7.235
  559    HG   LEU  72           HG       LEU  72  -6.473   8.436   4.638
  560   HD11  LEU  72          HD11      LEU  72  -3.901   7.092   5.504
  561   HD12  LEU  72          HD12      LEU  72  -4.168   8.834   5.586
  562   HD13  LEU  72          HD13      LEU  72  -4.179   8.012   4.025
  563   HD21  LEU  72          HD21      LEU  72  -6.911   6.385   3.798
  564   HD22  LEU  72          HD22      LEU  72  -6.794   5.723   5.428
  565   HD23  LEU  72          HD23      LEU  72  -5.367   5.781   4.394
  566    H    SER  73           HN       SER  73  -9.477   9.492   6.144
  567    HA   SER  73           HA       SER  73  -9.787  10.540   8.898
  568    HB2  SER  73           HB2      SER  73  -7.871  11.685   7.365
  569    HB3  SER  73           HB1      SER  73  -9.271  12.607   6.826
  570    HG   SER  73           HG       SER  73  -8.192  13.488   8.693
  571    H    GLN  74           HN       GLN  74 -11.924  10.884   9.183
  572    HA   GLN  74           HA       GLN  74 -13.940  10.518   7.323
  573    HB2  GLN  74           HB2      GLN  74 -14.058  11.059   9.890
  574    HB3  GLN  74           HB1      GLN  74 -14.237  12.727   9.343
  575    HG2  GLN  74           HG2      GLN  74 -16.459  12.109   9.343
  576    HG3  GLN  74           HG1      GLN  74 -16.029  11.597   7.710
  577   HE21  GLN  74          HE21      GLN  74 -15.245   9.219   7.558
  578   HE22  GLN  74          HE22      GLN  74 -16.001   8.089   8.576
  579    H    ARG  75           HN       ARG  75 -11.767  13.197   7.572
  580    HA   ARG  75           HA       ARG  75 -13.341  15.134   6.139
  581    HB2  ARG  75           HB2      ARG  75 -11.293  15.623   7.536
  582    HB3  ARG  75           HB1      ARG  75 -10.322  14.923   6.241
  583    HG2  ARG  75           HG2      ARG  75 -11.913  16.665   4.843
  584    HG3  ARG  75           HG1      ARG  75 -11.689  17.530   6.362
  585    HD2  ARG  75           HD2      ARG  75  -9.196  17.034   6.126
  586    HD3  ARG  75           HD1      ARG  75  -9.553  16.522   4.477
  587    HE   ARG  75           HE       ARG  75 -10.675  19.120   4.919
  588   HH11  ARG  75          HH21      ARG  75  -7.690  17.429   4.567
  589   HH12  ARG  75          HH22      ARG  75  -6.848  18.786   3.898
  590   HH21  ARG  75          HH11      ARG  75  -9.591  20.901   4.049
  591   HH22  ARG  75          HH12      ARG  75  -7.924  20.752   3.605
  592    H    ASP  76           HN       ASP  76 -11.068  12.605   5.143
  593    HA   ASP  76           HA       ASP  76 -11.182  13.439   2.339
  594    HB2  ASP  76           HB2      ASP  76 -10.191  10.794   3.417
  595    HB3  ASP  76           HB1      ASP  76  -9.747  11.573   1.901
  596    H    LEU  77           HN       LEU  77 -12.669  11.057   4.439
  597    HA   LEU  77           HA       LEU  77 -14.092   9.683   2.341
  598    HB2  LEU  77           HB2      LEU  77 -13.590   8.773   4.664
  599    HB3  LEU  77           HB1      LEU  77 -14.826   9.878   5.266
  600    HG   LEU  77           HG       LEU  77 -16.108   8.697   3.146
  601   HD11  LEU  77          HD11      LEU  77 -15.698   6.284   3.349
  602   HD12  LEU  77          HD12      LEU  77 -14.430   6.590   4.535
  603   HD13  LEU  77          HD13      LEU  77 -14.223   7.122   2.868
  604   HD21  LEU  77          HD21      LEU  77 -17.201   9.020   5.229
  605   HD22  LEU  77          HD22      LEU  77 -16.010   8.054   6.097
  606   HD23  LEU  77          HD23      LEU  77 -17.161   7.271   5.015
  607    H    GLN  78           HN       GLN  78 -14.619  12.452   4.445
  608    HA   GLN  78           HA       GLN  78 -17.403  12.726   3.749
  609    HB2  GLN  78           HB2      GLN  78 -16.464  13.848   5.760
  610    HB3  GLN  78           HB1      GLN  78 -15.466  14.856   4.711
  611    HG2  GLN  78           HG2      GLN  78 -17.469  16.091   5.365
  612    HG3  GLN  78           HG1      GLN  78 -17.549  15.730   3.643
  613   HE21  GLN  78          HE21      GLN  78 -19.054  13.991   2.951
  614   HE22  GLN  78          HE22      GLN  78 -20.316  13.496   3.971
  615    H    ALA  79           HN       ALA  79 -14.347  13.641   2.441
  616    HA   ALA  79           HA       ALA  79 -15.448  15.410   0.402
  617    HB1  ALA  79           HB1      ALA  79 -12.921  14.214  -0.341
  618    HB2  ALA  79           HB2      ALA  79 -12.868  14.727   1.345
  619    HB3  ALA  79           HB3      ALA  79 -13.263  15.891   0.083
  620    H    HIS  80           HN       HIS  80 -15.131  11.994   0.894
  621    HA   HIS  80           HA       HIS  80 -15.136  11.289  -1.931
  622    HB2  HIS  80           HB2      HIS  80 -14.375   9.634  -0.309
  623    HB3  HIS  80           HB1      HIS  80 -15.940   9.666   0.496
  624    HD1  HIS  80           HD1      HIS  80 -14.315   8.566  -2.730
  625    HD2  HIS  80           HD2      HIS  80 -17.952   8.172  -0.743
  626    HE1  HIS  80           HE1      HIS  80 -15.640   6.820  -4.001
  627    H    ILE  81           HN       ILE  81 -17.601  11.473   0.588
  628    HA   ILE  81           HA       ILE  81 -19.858  10.783  -0.964
  629    HB   ILE  81           HB       ILE  81 -20.064  12.998   1.031
  630   HG12  ILE  81          HG12      ILE  81 -18.458  11.609   2.093
  631   HG13  ILE  81          HG11      ILE  81 -20.004  11.269   2.856
  632   HG21  ILE  81          HG21      ILE  81 -22.141  12.221   0.139
  633   HG22  ILE  81          HG22      ILE  81 -22.018  11.565   1.771
  634   HG23  ILE  81          HG23      ILE  81 -21.693  10.534   0.383
  635   HD11  ILE  81          HD11      ILE  81 -18.339   9.548   1.088
  636   HD12  ILE  81          HD12      ILE  81 -20.089   9.416   0.919
  637   HD13  ILE  81          HD13      ILE  81 -19.326   9.108   2.478
  638    H    ASN  82           HN       ASN  82 -18.645  14.030  -0.207
  639    HA   ASN  82           HA       ASN  82 -20.440  15.383  -1.964
  640    HB2  ASN  82           HB2      ASN  82 -17.709  16.449  -1.293
  641    HB3  ASN  82           HB1      ASN  82 -19.229  17.328  -1.462
  642   HD21  ASN  82          HD21      ASN  82 -17.232  16.981   0.898
  643   HD22  ASN  82          HD22      ASN  82 -18.234  16.552   2.198
  644    H    HIS  83           HN       HIS  83 -17.566  13.565  -2.564
  645    HA   HIS  83           HA       HIS  83 -17.035  14.982  -5.058
  646    HB2  HIS  83           HB2      HIS  83 -15.783  12.651  -3.674
  647    HB3  HIS  83           HB1      HIS  83 -15.406  12.970  -5.363
  648    HD1  HIS  83           HD1      HIS  83 -12.972  13.728  -4.791
  649    HD2  HIS  83           HD2      HIS  83 -15.937  16.022  -2.965
  650    HE1  HIS  83           HE1      HIS  83 -11.820  15.795  -3.880
  651    HE2  HIS  83           HE2      HIS  83 -13.616  17.199  -2.767
  652    H    ARG  84           HN       ARG  84 -18.665  11.967  -4.143
  653    HA   ARG  84           HA       ARG  84 -19.356  11.638  -7.032
  654    HB2  ARG  84           HB2      ARG  84 -19.187   9.182  -5.405
  655    HB3  ARG  84           HB1      ARG  84 -18.683   9.471  -7.072
  656    HG2  ARG  84           HG2      ARG  84 -16.768  10.847  -6.163
  657    HG3  ARG  84           HG1      ARG  84 -17.215  10.287  -4.550
  658    HD2  ARG  84           HD2      ARG  84 -15.532   8.784  -5.271
  659    HD3  ARG  84           HD1      ARG  84 -17.050   7.916  -5.499
  660    HE   ARG  84           HE       ARG  84 -16.301   9.350  -7.895
  661   HH11  ARG  84          HH21      ARG  84 -15.685   6.575  -5.946
  662   HH12  ARG  84          HH22      ARG  84 -15.124   5.606  -7.267
  663   HH21  ARG  84          HH11      ARG  84 -15.571   8.101  -9.632
  664   HH22  ARG  84          HH12      ARG  84 -15.059   6.470  -9.354
  665    H    HIS  85           HN       HIS  85 -20.499  11.439  -3.738
  666    HA   HIS  85           HA       HIS  85 -23.094  10.367  -4.686
  667    HB2  HIS  85           HB2      HIS  85 -22.302  10.993  -1.840
  668    HB3  HIS  85           HB1      HIS  85 -23.585   9.919  -2.395
  669    HD1  HIS  85           HD1      HIS  85 -22.933   7.535  -2.154
  670    HD2  HIS  85           HD2      HIS  85 -19.632   9.915  -3.080
  671    HE1  HIS  85           HE1      HIS  85 -20.941   5.979  -2.284
  672    H    MET  86           HN       MET  86 -21.783  13.043  -2.787
  673    HA   MET  86           HA       MET  86 -22.753  15.116  -2.211
  674    HB2  MET  86           HB2      MET  86 -22.125  14.951  -4.847
  675    HB3  MET  86           HB1      MET  86 -23.838  15.360  -4.953
  676    HG2  MET  86           HG2      MET  86 -21.745  16.885  -3.371
  677    HG3  MET  86           HG1      MET  86 -22.466  17.405  -4.895
  678    HE1  MET  86           HE1      MET  86 -22.293  19.077  -2.334
  679    HE2  MET  86           HE2      MET  86 -23.892  19.789  -2.136
  680    HE3  MET  86           HE3      MET  86 -23.156  19.725  -3.735
  681    H    ARG  87           HN       ARG  87 -24.506  12.851  -1.727
  682    HA   ARG  87           HA       ARG  87 -26.963  14.220  -1.261
  683    HB2  ARG  87           HB2      ARG  87 -27.553  14.163  -3.528
  684    HB3  ARG  87           HB1      ARG  87 -26.782  12.597  -3.787
  685    HG2  ARG  87           HG2      ARG  87 -28.537  11.419  -2.764
  686    HG3  ARG  87           HG1      ARG  87 -29.120  12.847  -1.907
  687    HD2  ARG  87           HD2      ARG  87 -30.305  13.611  -3.708
  688    HD3  ARG  87           HD1      ARG  87 -29.112  13.029  -4.869
  689    HE   ARG  87           HE       ARG  87 -30.371  11.048  -5.051
  690   HH11  ARG  87          HH21      ARG  87 -31.059  12.743  -2.129
  691   HH12  ARG  87          HH22      ARG  87 -32.331  11.671  -1.650
  692   HH21  ARG  87          HH11      ARG  87 -32.030   9.638  -4.442
  693   HH22  ARG  87          HH12      ARG  87 -32.882   9.913  -2.960
  694    H    ALA  88           HN       ALA  88 -27.601  13.180   0.559
  695    HA   ALA  88           HA       ALA  88 -28.119  10.343   0.609
  696    HB1  ALA  88           HB1      ALA  88 -26.387   9.564   2.035
  697    HB2  ALA  88           HB2      ALA  88 -25.844  11.201   2.401
  698    HB3  ALA  88           HB3      ALA  88 -25.556  10.513   0.803
  699    H    GLY  89           HN       GLY  89 -29.782  12.413   1.204
  700    HA2  GLY  89           HA2      GLY  89 -31.108  13.369   2.897
  701    HA3  GLY  89           HA1      GLY  89 -30.870  11.816   3.699
  Start of MODEL   14
    1    H1   VAL   1           HT1      VAL   1 -11.791  -3.880   4.287
    2    H2   VAL   1           HT2      VAL   1 -12.898  -3.079   5.296
    3    H3   VAL   1           HT3      VAL   1 -13.096  -3.034   3.609
    4    HA   VAL   1           HA       VAL   1 -14.491  -4.667   5.095
    5    HB   VAL   1           HB       VAL   1 -14.652  -6.151   3.115
    6   HG11  VAL   1          HG11      VAL   1 -15.633  -3.777   3.216
    7   HG12  VAL   1          HG12      VAL   1 -15.461  -4.493   1.614
    8   HG13  VAL   1          HG13      VAL   1 -14.289  -3.302   2.178
    9   HG21  VAL   1          HG21      VAL   1 -12.949  -4.902   1.271
   10   HG22  VAL   1          HG22      VAL   1 -12.746  -6.515   1.957
   11   HG23  VAL   1          HG23      VAL   1 -11.957  -5.129   2.712
   12    H    HIS   2           HN       HIS   2 -14.430  -7.035   5.520
   13    HA   HIS   2           HA       HIS   2 -11.770  -7.812   6.546
   14    HB2  HIS   2           HB2      HIS   2 -13.931  -9.726   6.967
   15    HB3  HIS   2           HB1      HIS   2 -12.907  -8.917   8.154
   16    HD1  HIS   2           HD1      HIS   2 -13.714  -6.594   9.054
   17    HD2  HIS   2           HD2      HIS   2 -16.422  -8.458   6.488
   18    HE1  HIS   2           HE1      HIS   2 -15.907  -5.347   9.296
   19    HE2  HIS   2           HE2      HIS   2 -17.562  -6.474   7.738
   20    H    PHE   3           HN       PHE   3 -14.313  -9.090   4.419
   21    HA   PHE   3           HA       PHE   3 -12.693 -11.371   3.614
   22    HB2  PHE   3           HB2      PHE   3 -15.345 -10.233   2.811
   23    HB3  PHE   3           HB1      PHE   3 -14.550 -11.371   1.724
   24    HD1  PHE   3           HD1      PHE   3 -13.617 -13.562   2.835
   25    HD2  PHE   3           HD2      PHE   3 -16.638 -11.057   4.585
   26    HE1  PHE   3           HE1      PHE   3 -14.359 -15.451   4.261
   27    HE2  PHE   3           HE2      PHE   3 -17.378 -12.947   6.009
   28    HZ   PHE   3           HZ       PHE   3 -16.240 -15.143   5.847
   29    H    CYS   4           HN       CYS   4 -10.887 -11.012   2.401
   30    HA   CYS   4           HA       CYS   4 -10.182  -8.747   0.964
   31    HB2  CYS   4           HB2      CYS   4  -8.683 -10.685   1.348
   32    HB3  CYS   4           HB1      CYS   4  -9.583 -11.601   0.140
   33    H    ASP   5           HN       ASP   5 -10.475  -8.026  -1.170
   34    HA   ASP   5           HA       ASP   5 -12.988  -8.854  -2.400
   35    HB2  ASP   5           HB2      ASP   5 -10.958  -6.955  -3.580
   36    HB3  ASP   5           HB1      ASP   5 -12.700  -6.990  -3.848
   37    H    LYS   6           HN       LYS   6  -9.552  -9.425  -2.951
   38    HA   LYS   6           HA       LYS   6 -10.210 -10.803  -5.502
   39    HB2  LYS   6           HB2      LYS   6  -8.351  -9.053  -5.388
   40    HB3  LYS   6           HB1      LYS   6  -7.461 -10.221  -4.414
   41    HG2  LYS   6           HG2      LYS   6  -6.736 -10.612  -6.642
   42    HG3  LYS   6           HG1      LYS   6  -7.878 -11.904  -6.291
   43    HD2  LYS   6           HD2      LYS   6  -9.353  -9.679  -7.344
   44    HD3  LYS   6           HD1      LYS   6  -7.985  -9.994  -8.409
   45    HE2  LYS   6           HE2      LYS   6  -9.937 -12.101  -7.442
   46    HE3  LYS   6           HE1      LYS   6  -9.989 -11.332  -9.028
   47    HZ1  LYS   6           HZ1      LYS   6  -7.388 -12.312  -8.440
   48    HZ2  LYS   6           HZ2      LYS   6  -8.396 -12.664  -9.762
   49    HZ3  LYS   6           HZ3      LYS   6  -8.535 -13.554  -8.322
   50    H    CYS   7           HN       CYS   7  -8.051 -11.334  -2.707
   51    HA   CYS   7           HA       CYS   7  -7.685 -14.103  -3.191
   52    HB2  CYS   7           HB2      CYS   7  -7.685 -12.836  -0.448
   53    HB3  CYS   7           HB1      CYS   7  -6.742 -14.219  -1.004
   54    H    GLY   8           HN       GLY   8 -10.305 -12.381  -1.616
   55    HA2  GLY   8           HA2      GLY   8 -12.432 -13.182  -1.008
   56    HA3  GLY   8           HA1      GLY   8 -11.997 -14.727  -1.740
   57    H    LEU   9           HN       LEU   9  -9.661 -13.720   0.492
   58    HA   LEU   9           HA       LEU   9 -10.722 -15.658   2.499
   59    HB2  LEU   9           HB2      LEU   9  -8.030 -14.850   1.574
   60    HB3  LEU   9           HB1      LEU   9  -8.177 -15.061   3.317
   61    HG   LEU   9           HG       LEU   9  -9.134 -17.314   2.963
   62   HD11  LEU   9          HD11      LEU   9  -8.735 -18.161   0.498
   63   HD12  LEU   9          HD12      LEU   9  -8.899 -16.451   0.098
   64   HD13  LEU   9          HD13      LEU   9 -10.220 -17.299   0.901
   65   HD21  LEU   9          HD21      LEU   9  -7.082 -18.400   2.233
   66   HD22  LEU   9          HD22      LEU   9  -6.658 -16.969   3.173
   67   HD23  LEU   9          HD23      LEU   9  -6.555 -16.930   1.413
   68    HA   PRO  10           HA       PRO  10 -11.538 -12.404   5.346
   69    HB2  PRO  10           HB2      PRO  10 -10.702 -13.452   7.735
   70    HB3  PRO  10           HB1      PRO  10 -12.230 -13.861   6.934
   71    HG2  PRO  10           HG2      PRO  10  -9.688 -15.389   7.046
   72    HG3  PRO  10           HG1      PRO  10 -11.359 -15.974   7.015
   73    HD2  PRO  10           HD2      PRO  10  -9.697 -16.003   4.819
   74    HD3  PRO  10           HD1      PRO  10 -11.469 -15.932   4.710
   75    H    ILE  11           HN       ILE  11 -10.187 -10.781   4.827
   76    HA   ILE  11           HA       ILE  11  -7.447 -10.495   4.980
   77    HB   ILE  11           HB       ILE  11  -9.567  -8.436   5.664
   78   HG12  ILE  11          HG12      ILE  11  -8.089  -8.885   3.066
   79   HG13  ILE  11          HG11      ILE  11  -9.635  -9.647   3.411
   80   HG21  ILE  11          HG21      ILE  11  -6.655  -8.324   5.581
   81   HG22  ILE  11          HG22      ILE  11  -7.799  -7.125   6.181
   82   HG23  ILE  11          HG23      ILE  11  -7.393  -7.178   4.465
   83   HD11  ILE  11          HD11      ILE  11 -10.770  -7.737   3.007
   84   HD12  ILE  11          HD12      ILE  11  -9.268  -7.098   2.338
   85   HD13  ILE  11          HD13      ILE  11  -9.678  -6.797   4.024
   86    H    LYS  12           HN       LYS  12  -6.105 -10.929   6.638
   87    HA   LYS  12           HA       LYS  12  -7.017 -10.692   9.430
   88    HB2  LYS  12           HB2      LYS  12  -4.212 -11.291   8.445
   89    HB3  LYS  12           HB1      LYS  12  -4.909 -11.687  10.016
   90    HG2  LYS  12           HG2      LYS  12  -6.656 -13.043   8.628
   91    HG3  LYS  12           HG1      LYS  12  -5.454 -12.951   7.340
   92    HD2  LYS  12           HD2      LYS  12  -4.990 -14.061  10.125
   93    HD3  LYS  12           HD1      LYS  12  -5.138 -15.008   8.644
   94    HE2  LYS  12           HE2      LYS  12  -3.180 -13.594   7.752
   95    HE3  LYS  12           HE1      LYS  12  -2.935 -13.098   9.426
   96    HZ1  LYS  12           HZ1      LYS  12  -3.289 -15.898   9.276
   97    HZ2  LYS  12           HZ2      LYS  12  -1.960 -15.019   9.866
   98    HZ3  LYS  12           HZ3      LYS  12  -2.051 -15.424   8.218
   99    H    VAL  13           HN       VAL  13  -5.010  -9.018   7.098
  100    HA   VAL  13           HA       VAL  13  -4.875  -6.688   8.921
  101    HB   VAL  13           HB       VAL  13  -2.520  -7.223   7.222
  102   HG11  VAL  13          HG11      VAL  13  -1.370  -6.035   8.928
  103   HG12  VAL  13          HG12      VAL  13  -2.633  -6.369  10.113
  104   HG13  VAL  13          HG13      VAL  13  -2.935  -5.232   8.798
  105   HG21  VAL  13          HG21      VAL  13  -3.130  -8.773   9.749
  106   HG22  VAL  13          HG22      VAL  13  -1.513  -8.642   9.059
  107   HG23  VAL  13          HG23      VAL  13  -2.797  -9.436   8.149
  108    H    TYR  14           HN       TYR  14  -5.136  -4.756   7.741
  109    HA   TYR  14           HA       TYR  14  -6.157  -5.097   5.043
  110    HB2  TYR  14           HB2      TYR  14  -5.828  -2.779   6.892
  111    HB3  TYR  14           HB1      TYR  14  -6.114  -2.482   5.181
  112    HD1  TYR  14           HD1      TYR  14  -7.408  -5.193   7.436
  113    HD2  TYR  14           HD2      TYR  14  -8.342  -1.810   4.967
  114    HE1  TYR  14           HE1      TYR  14  -9.821  -5.626   7.759
  115    HE2  TYR  14           HE2      TYR  14 -10.759  -2.237   5.295
  116    HH   TYR  14           HH       TYR  14 -12.267  -3.387   6.564
  117    H    GLY  15           HN       GLY  15  -4.663  -5.566   3.532
  118    HA2  GLY  15           HA2      GLY  15  -2.028  -4.328   3.497
  119    HA3  GLY  15           HA1      GLY  15  -2.702  -5.354   2.223
  120    H    ARG  16           HN       ARG  16  -2.678  -2.124   3.554
  121    HA   ARG  16           HA       ARG  16  -4.445  -0.940   1.624
  122    HB2  ARG  16           HB2      ARG  16  -3.873   0.142   3.772
  123    HB3  ARG  16           HB1      ARG  16  -2.219   0.365   3.209
  124    HG2  ARG  16           HG2      ARG  16  -2.780   2.180   1.990
  125    HG3  ARG  16           HG1      ARG  16  -4.171   1.358   1.281
  126    HD2  ARG  16           HD2      ARG  16  -5.508   1.821   3.272
  127    HD3  ARG  16           HD1      ARG  16  -4.116   2.559   4.064
  128    HE   ARG  16           HE       ARG  16  -5.829   3.846   2.119
  129   HH11  ARG  16          HH21      ARG  16  -2.602   3.539   3.296
  130   HH12  ARG  16          HH22      ARG  16  -2.135   5.138   2.820
  131   HH21  ARG  16          HH11      ARG  16  -5.239   5.937   1.497
  132   HH22  ARG  16          HH12      ARG  16  -3.628   6.495   1.802
  133    H    MET  17           HN       MET  17  -4.083  -0.319  -0.433
  134    HA   MET  17           HA       MET  17  -1.270  -0.408  -1.458
  135    HB2  MET  17           HB2      MET  17  -3.803  -0.815  -3.056
  136    HB3  MET  17           HB1      MET  17  -2.146  -1.149  -3.555
  137    HG2  MET  17           HG2      MET  17  -2.161  -2.705  -1.418
  138    HG3  MET  17           HG1      MET  17  -3.903  -2.673  -1.680
  139    HE1  MET  17           HE1      MET  17  -0.619  -4.222  -4.444
  140    HE2  MET  17           HE2      MET  17  -0.618  -4.479  -2.704
  141    HE3  MET  17           HE3      MET  17  -0.553  -2.840  -3.344
  142    H    ILE  18           HN       ILE  18  -0.514   1.434  -2.410
  143    HA   ILE  18           HA       ILE  18  -2.467   3.622  -2.976
  144    HB   ILE  18           HB       ILE  18  -0.068   4.900  -2.797
  145   HG12  ILE  18          HG12      ILE  18   0.016   2.690  -0.738
  146   HG13  ILE  18          HG11      ILE  18   1.015   2.754  -2.190
  147   HG21  ILE  18          HG21      ILE  18  -0.768   5.559  -0.527
  148   HG22  ILE  18          HG22      ILE  18  -1.840   4.162  -0.437
  149   HG23  ILE  18          HG23      ILE  18  -2.184   5.466  -1.572
  150   HD11  ILE  18          HD11      ILE  18   1.206   5.289  -0.891
  151   HD12  ILE  18          HD12      ILE  18   2.480   4.093  -1.128
  152   HD13  ILE  18          HD13      ILE  18   1.475   4.039   0.321
  153    HA   PRO  19           HA       PRO  19  -1.990   5.729  -3.852
  154    HB2  PRO  19           HB2      PRO  19  -2.852   7.071  -6.021
  155    HB3  PRO  19           HB1      PRO  19  -1.147   7.097  -5.526
  156    HG2  PRO  19           HG2      PRO  19  -2.463   5.558  -7.702
  157    HG3  PRO  19           HG1      PRO  19  -0.870   6.332  -7.668
  158    HD2  PRO  19           HD2      PRO  19  -1.315   3.612  -7.266
  159    HD3  PRO  19           HD1      PRO  19   0.129   4.492  -6.748
  160    H    CYS  20           HN       CYS  20  -3.245   3.168  -5.592
  161    HA   CYS  20           HA       CYS  20  -5.909   3.861  -6.177
  162    HB2  CYS  20           HB2      CYS  20  -4.563   1.603  -6.474
  163    HB3  CYS  20           HB1      CYS  20  -5.300   1.204  -4.923
  164    H    LYS  21           HN       LYS  21  -4.371   3.152  -3.102
  165    HA   LYS  21           HA       LYS  21  -5.145   3.511  -0.918
  166    HB2  LYS  21           HB2      LYS  21  -6.484   5.427  -2.419
  167    HB3  LYS  21           HB1      LYS  21  -7.798   4.546  -1.638
  168    HG2  LYS  21           HG2      LYS  21  -6.550   4.807   0.545
  169    HG3  LYS  21           HG1      LYS  21  -5.438   5.887  -0.297
  170    HD2  LYS  21           HD2      LYS  21  -8.000   6.796  -0.996
  171    HD3  LYS  21           HD1      LYS  21  -8.095   6.441   0.730
  172    HE2  LYS  21           HE2      LYS  21  -7.344   8.760   0.353
  173    HE3  LYS  21           HE1      LYS  21  -6.077   7.805   1.124
  174    HZ1  LYS  21           HZ1      LYS  21  -5.771   7.482  -1.611
  175    HZ2  LYS  21           HZ2      LYS  21  -4.757   8.340  -0.551
  176    HZ3  LYS  21           HZ3      LYS  21  -6.018   9.141  -1.360
  177    H    HIS  22           HN       HIS  22  -5.781   1.208  -2.730
  178    HA   HIS  22           HA       HIS  22  -8.394   0.293  -1.720
  179    HB2  HIS  22           HB2      HIS  22  -6.554  -0.486  -3.876
  180    HB3  HIS  22           HB1      HIS  22  -7.281  -1.855  -3.037
  181    HD2  HIS  22           HD2      HIS  22 -10.317  -0.820  -2.583
  182    HE1  HIS  22           HE1      HIS  22 -10.336   0.136  -6.695
  183    HE2  HIS  22           HE2      HIS  22 -11.794  -0.267  -4.660
  184    H    VAL  23           HN       VAL  23  -8.233  -2.250  -1.046
  185    HA   VAL  23           HA       VAL  23  -5.861  -2.664   0.667
  186    HB   VAL  23           HB       VAL  23  -6.978  -2.779   2.698
  187   HG11  VAL  23          HG11      VAL  23  -8.557  -0.711   1.142
  188   HG12  VAL  23          HG12      VAL  23  -6.957  -0.455   1.839
  189   HG13  VAL  23          HG13      VAL  23  -8.339  -0.754   2.887
  190   HG21  VAL  23          HG21      VAL  23  -8.742  -4.276   2.292
  191   HG22  VAL  23          HG22      VAL  23  -9.411  -3.284   0.996
  192   HG23  VAL  23          HG23      VAL  23  -9.586  -2.776   2.675
  193    H    PHE  24           HN       PHE  24  -5.543  -4.834   1.291
  194    HA   PHE  24           HA       PHE  24  -7.480  -6.905   0.549
  195    HB2  PHE  24           HB2      PHE  24  -4.783  -6.955  -0.827
  196    HB3  PHE  24           HB1      PHE  24  -6.154  -8.030  -1.104
  197    HD1  PHE  24           HD1      PHE  24  -8.264  -7.105  -2.145
  198    HD2  PHE  24           HD2      PHE  24  -4.613  -4.870  -1.915
  199    HE1  PHE  24           HE1      PHE  24  -9.104  -5.559  -3.893
  200    HE2  PHE  24           HE2      PHE  24  -5.445  -3.319  -3.662
  201    HZ   PHE  24           HZ       PHE  24  -7.692  -3.665  -4.655
  202    H    CYS  25           HN       CYS  25  -6.425  -9.149   1.085
  203    HA   CYS  25           HA       CYS  25  -5.391  -9.059   3.716
  204    HB2  CYS  25           HB2      CYS  25  -4.250 -11.367   2.591
  205    HB3  CYS  25           HB1      CYS  25  -5.787 -11.269   3.447
  206    H    TYR  26           HN       TYR  26  -3.537  -8.080   4.338
  207    HA   TYR  26           HA       TYR  26  -1.476  -7.236   2.637
  208    HB2  TYR  26           HB2      TYR  26  -1.815  -6.499   5.011
  209    HB3  TYR  26           HB1      TYR  26  -1.169  -8.049   5.532
  210    HD1  TYR  26           HD1      TYR  26  -0.127  -5.461   2.956
  211    HD2  TYR  26           HD2      TYR  26   0.996  -7.891   6.325
  212    HE1  TYR  26           HE1      TYR  26   2.169  -4.567   2.839
  213    HE2  TYR  26           HE2      TYR  26   3.297  -6.992   6.195
  214    HH   TYR  26           HH       TYR  26   4.741  -5.922   4.124
  215    H    ASP  27           HN       ASP  27  -2.211 -10.410   3.628
  216    HA   ASP  27           HA       ASP  27   0.478 -11.479   3.399
  217    HB2  ASP  27           HB2      ASP  27  -2.285 -12.679   3.485
  218    HB3  ASP  27           HB1      ASP  27  -0.897 -13.680   3.058
  219    H    CYS  28           HN       CYS  28  -2.319 -11.153   1.270
  220    HA   CYS  28           HA       CYS  28  -0.874 -12.356  -0.967
  221    HB2  CYS  28           HB2      CYS  28  -2.867 -12.158  -2.180
  222    HB3  CYS  28           HB1      CYS  28  -3.476 -12.288  -0.530
  223    H    ALA  29           HN       ALA  29  -1.459  -9.186   0.355
  224    HA   ALA  29           HA       ALA  29  -0.727  -7.685  -1.972
  225    HB1  ALA  29           HB1      ALA  29  -1.828  -6.980   0.344
  226    HB2  ALA  29           HB2      ALA  29  -0.866  -5.827  -0.574
  227    HB3  ALA  29           HB3      ALA  29  -0.149  -6.683   0.792
  228    H    ILE  30           HN       ILE  30   1.123  -9.145   0.686
  229    HA   ILE  30           HA       ILE  30   3.603  -7.941  -0.270
  230    HB   ILE  30           HB       ILE  30   4.687  -9.226   1.471
  231   HG12  ILE  30          HG12      ILE  30   2.028 -10.576   1.960
  232   HG13  ILE  30          HG11      ILE  30   3.368 -11.357   1.134
  233   HG21  ILE  30          HG21      ILE  30   3.891  -7.579   2.765
  234   HG22  ILE  30          HG22      ILE  30   2.603  -8.676   3.247
  235   HG23  ILE  30          HG23      ILE  30   2.353  -7.561   1.910
  236   HD11  ILE  30          HD11      ILE  30   3.297 -10.376   3.991
  237   HD12  ILE  30          HD12      ILE  30   4.783 -10.860   3.174
  238   HD13  ILE  30          HD13      ILE  30   3.494 -12.036   3.428
  239    H    LEU  31           HN       LEU  31   1.890 -11.016  -0.617
  240    HA   LEU  31           HA       LEU  31   4.076 -12.416  -1.878
  241    HB2  LEU  31           HB2      LEU  31   1.080 -12.736  -2.066
  242    HB3  LEU  31           HB1      LEU  31   2.178 -13.771  -2.963
  243    HG   LEU  31           HG       LEU  31   2.304 -13.380   0.042
  244   HD11  LEU  31          HD11      LEU  31   0.684 -15.188  -1.665
  245   HD12  LEU  31          HD12      LEU  31   0.370 -14.596  -0.032
  246   HD13  LEU  31          HD13      LEU  31   1.487 -15.938  -0.284
  247   HD21  LEU  31          HD21      LEU  31   3.977 -14.750  -1.938
  248   HD22  LEU  31          HD22      LEU  31   3.427 -15.828  -0.658
  249   HD23  LEU  31          HD23      LEU  31   4.320 -14.364  -0.253
  250    H    HIS  32           HN       HIS  32   1.859  -9.951  -2.954
  251    HA   HIS  32           HA       HIS  32   2.403 -10.416  -5.793
  252    HB2  HIS  32           HB2      HIS  32   0.784  -8.506  -4.187
  253    HB3  HIS  32           HB1      HIS  32   1.368  -7.921  -5.746
  254    HD1  HIS  32           HD1      HIS  32   0.726  -9.431  -7.873
  255    HD2  HIS  32           HD2      HIS  32  -1.341 -10.314  -4.359
  256    HE1  HIS  32           HE1      HIS  32  -1.271 -10.839  -8.548
  257    HE2  HIS  32           HE2      HIS  32  -2.534 -11.382  -6.417
  258    H    GLU  33           HN       GLU  33   3.448  -8.177  -3.255
  259    HA   GLU  33           HA       GLU  33   5.219  -6.706  -5.040
  260    HB2  GLU  33           HB2      GLU  33   4.340  -6.522  -2.290
  261    HB3  GLU  33           HB1      GLU  33   6.095  -6.367  -2.381
  262    HG2  GLU  33           HG2      GLU  33   4.202  -4.814  -4.163
  263    HG3  GLU  33           HG1      GLU  33   4.826  -4.193  -2.635
  264    H    LYS  34           HN       LYS  34   5.442  -9.613  -3.151
  265    HA   LYS  34           HA       LYS  34   8.366  -9.645  -3.121
  266    HB2  LYS  34           HB2      LYS  34   6.244 -11.686  -2.420
  267    HB3  LYS  34           HB1      LYS  34   7.966 -12.064  -2.379
  268    HG2  LYS  34           HG2      LYS  34   8.388 -10.475  -0.668
  269    HG3  LYS  34           HG1      LYS  34   6.831  -9.681  -0.912
  270    HD2  LYS  34           HD2      LYS  34   5.704 -11.217   0.343
  271    HD3  LYS  34           HD1      LYS  34   6.685 -12.560  -0.244
  272    HE2  LYS  34           HE2      LYS  34   8.481 -12.013   1.258
  273    HE3  LYS  34           HE1      LYS  34   7.720 -10.485   1.702
  274    HZ1  LYS  34           HZ1      LYS  34   5.935 -12.640   2.123
  275    HZ2  LYS  34           HZ2      LYS  34   6.525 -11.506   3.240
  276    HZ3  LYS  34           HZ3      LYS  34   7.394 -12.934   2.936
  277    H    LYS  35           HN       LYS  35   5.740 -11.037  -5.014
  278    HA   LYS  35           HA       LYS  35   7.519 -12.652  -6.653
  279    HB2  LYS  35           HB2      LYS  35   4.599 -11.970  -6.689
  280    HB3  LYS  35           HB1      LYS  35   5.334 -12.662  -8.135
  281    HG2  LYS  35           HG2      LYS  35   6.027 -14.626  -6.953
  282    HG3  LYS  35           HG1      LYS  35   5.641 -13.901  -5.392
  283    HD2  LYS  35           HD2      LYS  35   3.887 -15.497  -6.100
  284    HD3  LYS  35           HD1      LYS  35   3.254 -13.854  -5.989
  285    HE2  LYS  35           HE2      LYS  35   4.358 -14.811  -8.608
  286    HE3  LYS  35           HE1      LYS  35   2.743 -15.325  -8.122
  287    HZ1  LYS  35           HZ1      LYS  35   2.785 -12.659  -7.569
  288    HZ2  LYS  35           HZ2      LYS  35   2.062 -13.383  -8.925
  289    HZ3  LYS  35           HZ3      LYS  35   3.640 -12.764  -9.030
  290    H    GLY  36           HN       GLY  36   6.744  -9.361  -6.531
  291    HA2  GLY  36           HA2      GLY  36   7.724  -7.678  -7.915
  292    HA3  GLY  36           HA1      GLY  36   8.112  -8.918  -9.107
  293    H    ASP  37           HN       ASP  37   4.915  -8.561  -7.685
  294    HA   ASP  37           HA       ASP  37   3.817  -8.146 -10.383
  295    HB2  ASP  37           HB2      ASP  37   2.886  -9.337  -7.946
  296    HB3  ASP  37           HB1      ASP  37   1.769  -8.054  -8.410
  297    H    LYS  38           HN       LYS  38   3.973  -6.472  -7.263
  298    HA   LYS  38           HA       LYS  38   3.360  -4.288  -6.673
  299    HB2  LYS  38           HB2      LYS  38   4.338  -3.414  -9.347
  300    HB3  LYS  38           HB1      LYS  38   4.720  -2.776  -7.747
  301    HG2  LYS  38           HG2      LYS  38   5.931  -4.975  -7.307
  302    HG3  LYS  38           HG1      LYS  38   5.767  -5.301  -9.033
  303    HD2  LYS  38           HD2      LYS  38   7.183  -2.941  -7.764
  304    HD3  LYS  38           HD1      LYS  38   7.931  -4.268  -8.654
  305    HE2  LYS  38           HE2      LYS  38   6.362  -3.551 -10.600
  306    HE3  LYS  38           HE1      LYS  38   6.202  -2.039  -9.706
  307    HZ1  LYS  38           HZ1      LYS  38   8.037  -2.139 -11.408
  308    HZ2  LYS  38           HZ2      LYS  38   8.833  -3.223 -10.370
  309    HZ3  LYS  38           HZ3      LYS  38   8.497  -1.639  -9.853
  310    H    MET  39           HN       MET  39   1.382  -5.866  -8.363
  311    HA   MET  39           HA       MET  39  -0.080  -3.568  -9.573
  312    HB2  MET  39           HB2      MET  39  -1.088  -5.053 -11.093
  313    HB3  MET  39           HB1      MET  39   0.570  -5.644 -10.986
  314    HG2  MET  39           HG2      MET  39  -0.294  -7.178  -9.099
  315    HG3  MET  39           HG1      MET  39  -1.908  -6.782  -9.691
  316    HE1  MET  39           HE1      MET  39  -2.406  -9.070  -9.944
  317    HE2  MET  39           HE2      MET  39  -2.201  -9.928 -11.470
  318    HE3  MET  39           HE3      MET  39  -3.054  -8.386 -11.442
  319    H    CYS  40           HN       CYS  40  -2.072  -3.045  -8.726
  320    HA   CYS  40           HA       CYS  40  -2.879  -4.059  -6.179
  321    HB2  CYS  40           HB2      CYS  40  -3.571  -1.854  -6.843
  322    HB3  CYS  40           HB1      CYS  40  -4.363  -2.479  -8.289
  323    HA   PRO  41           HA       PRO  41  -4.598  -7.924  -7.960
  324    HB2  PRO  41           HB2      PRO  41  -5.861  -8.176  -5.285
  325    HB3  PRO  41           HB1      PRO  41  -4.849  -9.332  -6.169
  326    HG2  PRO  41           HG2      PRO  41  -3.958  -7.953  -4.049
  327    HG3  PRO  41           HG1      PRO  41  -2.911  -8.441  -5.390
  328    HD2  PRO  41           HD2      PRO  41  -3.976  -5.749  -4.721
  329    HD3  PRO  41           HD1      PRO  41  -2.473  -6.200  -5.554
  330    H    GLY  42           HN       GLY  42  -6.206  -5.188  -6.675
  331    HA2  GLY  42           HA2      GLY  42  -8.896  -6.225  -7.403
  332    HA3  GLY  42           HA1      GLY  42  -8.574  -4.719  -6.545
  333    H    CYS  43           HN       CYS  43  -7.022  -3.225  -8.024
  334    HA   CYS  43           HA       CYS  43  -8.565  -2.851 -10.508
  335    HB2  CYS  43           HB2      CYS  43  -6.360  -1.038  -9.555
  336    HB3  CYS  43           HB1      CYS  43  -7.781  -0.633 -10.517
  337    H    SER  44           HN       SER  44  -5.419  -3.883  -9.459
  338    HA   SER  44           HA       SER  44  -3.710  -4.908 -10.716
  339    HB2  SER  44           HB2      SER  44  -5.872  -5.384 -12.264
  340    HB3  SER  44           HB1      SER  44  -4.982  -4.307 -13.335
  341    HG   SER  44           HG       SER  44  -4.014  -6.149 -13.788
  342    H    ASP  45           HN       ASP  45  -3.645  -2.168  -9.983
  343    HA   ASP  45           HA       ASP  45  -2.259  -0.926 -12.313
  344    HB2  ASP  45           HB2      ASP  45  -4.087   0.134 -10.265
  345    HB3  ASP  45           HB1      ASP  45  -2.638   1.112 -10.507
  346    HA   PRO  46           HA       PRO  46   1.618  -1.117 -10.240
  347    HB2  PRO  46           HB2      PRO  46   2.429   1.574 -10.403
  348    HB3  PRO  46           HB1      PRO  46   2.725   0.315 -11.614
  349    HG2  PRO  46           HG2      PRO  46   0.670   2.441 -11.561
  350    HG3  PRO  46           HG1      PRO  46   1.488   1.687 -12.939
  351    HD2  PRO  46           HD2      PRO  46  -1.084   1.103 -12.295
  352    HD3  PRO  46           HD1      PRO  46   0.008  -0.103 -13.015
  353    H    VAL  47           HN       VAL  47   1.016  -1.510  -8.057
  354    HA   VAL  47           HA       VAL  47   0.023   0.574  -6.320
  355    HB   VAL  47           HB       VAL  47   0.239  -0.995  -4.548
  356   HG11  VAL  47          HG11      VAL  47  -0.982  -1.616  -7.025
  357   HG12  VAL  47          HG12      VAL  47  -1.405  -2.249  -5.446
  358   HG13  VAL  47          HG13      VAL  47  -0.247  -3.111  -6.454
  359   HG21  VAL  47          HG21      VAL  47   1.483  -3.229  -5.175
  360   HG22  VAL  47          HG22      VAL  47   2.413  -1.841  -4.615
  361   HG23  VAL  47          HG23      VAL  47   2.325  -2.207  -6.339
  362    H    GLN  48           HN       GLN  48   1.266   2.320  -5.821
  363    HA   GLN  48           HA       GLN  48   4.043   2.532  -6.199
  364    HB2  GLN  48           HB2      GLN  48   2.143   4.040  -4.404
  365    HB3  GLN  48           HB1      GLN  48   3.855   4.451  -4.498
  366    HG2  GLN  48           HG2      GLN  48   2.357   4.120  -7.060
  367    HG3  GLN  48           HG1      GLN  48   2.066   5.586  -6.121
  368   HE21  GLN  48          HE21      GLN  48   3.161   6.313  -8.354
  369   HE22  GLN  48          HE22      GLN  48   4.839   6.525  -8.277
  370    H    ARG  49           HN       ARG  49   2.282   2.003  -3.141
  371    HA   ARG  49           HA       ARG  49   4.419   0.216  -2.299
  372    HB2  ARG  49           HB2      ARG  49   5.670   1.711  -1.185
  373    HB3  ARG  49           HB1      ARG  49   4.538   2.996  -1.588
  374    HG2  ARG  49           HG2      ARG  49   3.169   2.435   0.376
  375    HG3  ARG  49           HG1      ARG  49   4.255   1.096   0.764
  376    HD2  ARG  49           HD2      ARG  49   4.992   4.034   0.681
  377    HD3  ARG  49           HD1      ARG  49   4.825   3.040   2.128
  378    HE   ARG  49           HE       ARG  49   7.124   3.080   0.348
  379   HH11  ARG  49          HH21      ARG  49   5.182   1.206   2.494
  380   HH12  ARG  49          HH22      ARG  49   6.462   0.116   2.913
  381   HH21  ARG  49          HH11      ARG  49   8.805   1.668   0.883
  382   HH22  ARG  49          HH12      ARG  49   8.513   0.378   2.001
  383    H    ILE  50           HN       ILE  50   3.618  -1.288  -0.919
  384    HA   ILE  50           HA       ILE  50   0.795  -1.026  -0.176
  385    HB   ILE  50           HB       ILE  50   2.499  -3.339   0.670
  386   HG12  ILE  50          HG12      ILE  50   1.448  -2.881  -2.136
  387   HG13  ILE  50          HG11      ILE  50   3.141  -2.909  -1.667
  388   HG21  ILE  50          HG21      ILE  50   0.503  -4.456   0.781
  389   HG22  ILE  50          HG22      ILE  50  -0.182  -3.588  -0.588
  390   HG23  ILE  50          HG23      ILE  50  -0.113  -2.821   0.996
  391   HD11  ILE  50          HD11      ILE  50   2.876  -5.247  -0.880
  392   HD12  ILE  50          HD12      ILE  50   2.511  -5.083  -2.597
  393   HD13  ILE  50          HD13      ILE  50   1.203  -5.224  -1.431
  394    H    GLU  51           HN       GLU  51   0.062  -1.015   1.922
  395    HA   GLU  51           HA       GLU  51   2.086  -0.882   4.094
  396    HB2  GLU  51           HB2      GLU  51  -0.134   1.151   3.821
  397    HB3  GLU  51           HB1      GLU  51   1.184   1.153   4.995
  398    HG2  GLU  51           HG2      GLU  51   2.807   1.293   3.105
  399    HG3  GLU  51           HG1      GLU  51   1.446   1.436   1.992
  400    H    GLN  52           HN       GLN  52   1.238  -1.339   6.180
  401    HA   GLN  52           HA       GLN  52  -1.144  -3.088   6.056
  402    HB2  GLN  52           HB2      GLN  52   1.243  -2.856   7.815
  403    HB3  GLN  52           HB1      GLN  52  -0.244  -3.437   8.565
  404    HG2  GLN  52           HG2      GLN  52  -0.444  -5.199   6.879
  405    HG3  GLN  52           HG1      GLN  52   0.992  -4.595   6.050
  406   HE21  GLN  52          HE21      GLN  52   0.033  -6.965   8.188
  407   HE22  GLN  52          HE22      GLN  52   1.500  -7.211   9.006
  408    H    CYS  53           HN       CYS  53  -3.011  -2.680   7.206
  409    HA   CYS  53           HA       CYS  53  -3.046  -0.362   9.061
  410    HB2  CYS  53           HB2      CYS  53  -4.554  -0.654   6.507
  411    HB3  CYS  53           HB1      CYS  53  -5.408   0.055   7.877
  412    H    THR  54           HN       THR  54  -4.916  -0.391  10.512
  413    HA   THR  54           HA       THR  54  -5.668  -3.133  11.213
  414    HB   THR  54           HB       THR  54  -7.102  -1.277  12.804
  415    HG1  THR  54           HG1      THR  54  -5.577   0.203  13.331
  416   HG21  THR  54          HG21      THR  54  -4.503  -2.760  13.290
  417   HG22  THR  54          HG22      THR  54  -6.125  -3.391  13.571
  418   HG23  THR  54          HG23      THR  54  -5.518  -2.052  14.547
  419    H    ARG  55           HN       ARG  55  -7.933  -3.762  11.531
  420    HA   ARG  55           HA       ARG  55  -9.573  -3.406   9.308
  421    HB2  ARG  55           HB2      ARG  55  -9.967  -5.176  10.955
  422    HB3  ARG  55           HB1      ARG  55 -10.430  -3.973  12.158
  423    HG2  ARG  55           HG2      ARG  55 -12.403  -3.390  10.980
  424    HG3  ARG  55           HG1      ARG  55 -11.853  -4.181   9.503
  425    HD2  ARG  55           HD2      ARG  55 -13.612  -5.416  10.959
  426    HD3  ARG  55           HD1      ARG  55 -12.227  -6.339  10.374
  427    HE   ARG  55           HE       ARG  55 -11.470  -6.521  12.607
  428   HH11  ARG  55          HH21      ARG  55 -13.900  -4.105  12.230
  429   HH12  ARG  55          HH22      ARG  55 -14.084  -3.835  13.931
  430   HH21  ARG  55          HH11      ARG  55 -11.696  -6.184  14.830
  431   HH22  ARG  55          HH12      ARG  55 -12.836  -5.012  15.403
  432    H    GLY  56           HN       GLY  56 -10.580  -2.038  12.440
  433    HA2  GLY  56           HA2      GLY  56 -12.200  -0.038  11.137
  434    HA3  GLY  56           HA1      GLY  56 -11.821  -0.086  12.859
  435    H    SER  57           HN       SER  57  -9.275  -0.037  10.411
  436    HA   SER  57           HA       SER  57  -8.287   2.467  11.599
  437    HB2  SER  57           HB2      SER  57  -6.791   0.517  10.931
  438    HB3  SER  57           HB1      SER  57  -7.117   0.949   9.255
  439    HG   SER  57           HG       SER  57  -6.269   3.014   9.706
  440    H    LEU  58           HN       LEU  58  -9.915   1.368   8.728
  441    HA   LEU  58           HA       LEU  58  -9.699   4.090   7.530
  442    HB2  LEU  58           HB2      LEU  58 -10.859   1.744   6.073
  443    HB3  LEU  58           HB1      LEU  58 -10.000   3.143   5.436
  444    HG   LEU  58           HG       LEU  58  -8.761   0.875   7.023
  445   HD11  LEU  58          HD11      LEU  58  -7.611   0.402   4.884
  446   HD12  LEU  58          HD12      LEU  58  -8.520   1.702   4.114
  447   HD13  LEU  58          HD13      LEU  58  -9.363   0.274   4.714
  448   HD21  LEU  58          HD21      LEU  58  -7.831   3.580   6.213
  449   HD22  LEU  58          HD22      LEU  58  -6.700   2.260   5.920
  450   HD23  LEU  58          HD23      LEU  58  -7.296   2.562   7.550
  451    H    PHE  59           HN       PHE  59 -11.788   4.647   6.233
  452    HA   PHE  59           HA       PHE  59 -14.155   4.004   7.949
  453    HB2  PHE  59           HB2      PHE  59 -13.620   6.555   6.406
  454    HB3  PHE  59           HB1      PHE  59 -14.994   6.243   7.468
  455    HD1  PHE  59           HD2      PHE  59 -11.253   6.358   7.447
  456    HD2  PHE  59           HD1      PHE  59 -14.854   6.725   9.762
  457    HE1  PHE  59           HE2      PHE  59  -9.922   7.113   9.399
  458    HE2  PHE  59           HE1      PHE  59 -13.522   7.482  11.713
  459    HZ   PHE  59           HZ       PHE  59 -11.056   7.676  11.532
  460    H    MET  60           HN       MET  60 -15.631   2.808   6.859
  461    HA   MET  60           HA       MET  60 -15.484   2.566   3.949
  462    HB2  MET  60           HB2      MET  60 -17.650   1.453   5.740
  463    HB3  MET  60           HB1      MET  60 -17.109   0.838   4.177
  464    HG2  MET  60           HG2      MET  60 -14.772   0.808   5.606
  465    HG3  MET  60           HG1      MET  60 -15.952   0.431   6.861
  466    HE1  MET  60           HE1      MET  60 -14.056  -1.397   3.634
  467    HE2  MET  60           HE2      MET  60 -15.000   0.071   3.390
  468    HE3  MET  60           HE3      MET  60 -15.613  -1.469   2.797
  469    H    CYS  61           HN       CYS  61 -16.997   3.315   2.461
  470    HA   CYS  61           HA       CYS  61 -18.836   5.443   3.463
  471    HB2  CYS  61           HB2      CYS  61 -17.373   6.346   1.826
  472    HB3  CYS  61           HB1      CYS  61 -17.519   4.923   0.795
  473    H    SER  62           HN       SER  62 -20.751   4.381   3.933
  474    HA   SER  62           HA       SER  62 -21.779   2.319   2.098
  475    HB2  SER  62           HB2      SER  62 -22.040   2.138   4.588
  476    HB3  SER  62           HB1      SER  62 -23.098   3.545   4.538
  477    HG   SER  62           HG       SER  62 -23.486   1.136   3.080
  478    H    ILE  63           HN       ILE  63 -22.182   5.716   2.711
  479    HA   ILE  63           HA       ILE  63 -24.731   6.309   1.812
  480    HB   ILE  63           HB       ILE  63 -22.101   7.691   1.255
  481   HG12  ILE  63          HG12      ILE  63 -24.419   8.434   3.061
  482   HG13  ILE  63          HG11      ILE  63 -23.026   7.503   3.604
  483   HG21  ILE  63          HG21      ILE  63 -23.494   8.454  -0.523
  484   HG22  ILE  63          HG22      ILE  63 -23.631   9.689   0.727
  485   HG23  ILE  63          HG23      ILE  63 -24.919   8.504   0.515
  486   HD11  ILE  63          HD11      ILE  63 -21.728   9.344   3.739
  487   HD12  ILE  63          HD12      ILE  63 -23.212  10.280   3.560
  488   HD13  ILE  63          HD13      ILE  63 -22.236   9.898   2.147
  489    H    VAL  64           HN       VAL  64 -25.832   6.029  -0.072
  490    HA   VAL  64           HA       VAL  64 -26.272   5.284  -2.255
  491    HB   VAL  64           HB       VAL  64 -23.606   6.639  -2.760
  492   HG11  VAL  64          HG11      VAL  64 -25.821   5.646  -4.550
  493   HG12  VAL  64          HG12      VAL  64 -24.085   5.365  -4.690
  494   HG13  VAL  64          HG13      VAL  64 -24.754   6.955  -5.062
  495   HG21  VAL  64          HG21      VAL  64 -25.590   7.935  -1.659
  496   HG22  VAL  64          HG22      VAL  64 -26.338   7.812  -3.251
  497   HG23  VAL  64          HG23      VAL  64 -24.796   8.647  -3.064
  498    H    GLN  65           HN       GLN  65 -26.122   3.033  -2.007
  499    HA   GLN  65           HA       GLN  65 -23.835   1.471  -1.631
  500    HB2  GLN  65           HB2      GLN  65 -26.353   0.926  -3.219
  501    HB3  GLN  65           HB1      GLN  65 -25.105  -0.298  -2.985
  502    HG2  GLN  65           HG2      GLN  65 -26.366   1.200  -0.680
  503    HG3  GLN  65           HG1      GLN  65 -27.006  -0.328  -1.284
  504   HE21  GLN  65          HE21      GLN  65 -25.780  -2.272  -0.870
  505   HE22  GLN  65          HE22      GLN  65 -24.431  -2.288   0.161
  506    H    GLY  66           HN       GLY  66 -22.950  -0.061  -3.482
  507    HA2  GLY  66           HA2      GLY  66 -22.062  -0.274  -5.696
  508    HA3  GLY  66           HA1      GLY  66 -22.642   1.353  -6.058
  509    H    CYS  67           HN       CYS  67 -21.517   2.834  -4.012
  510    HA   CYS  67           HA       CYS  67 -18.685   2.809  -4.823
  511    HB2  CYS  67           HB2      CYS  67 -18.791   5.024  -4.416
  512    HB3  CYS  67           HB1      CYS  67 -20.511   4.813  -4.088
  513    H    LYS  68           HN       LYS  68 -16.987   3.024  -3.114
  514    HA   LYS  68           HA       LYS  68 -17.507   2.265  -0.390
  515    HB2  LYS  68           HB2      LYS  68 -17.870   0.098  -1.861
  516    HB3  LYS  68           HB1      LYS  68 -16.106   0.065  -1.875
  517    HG2  LYS  68           HG2      LYS  68 -16.122   0.203   0.618
  518    HG3  LYS  68           HG1      LYS  68 -17.883   0.100   0.581
  519    HD2  LYS  68           HD2      LYS  68 -16.975  -2.011  -1.045
  520    HD3  LYS  68           HD1      LYS  68 -15.935  -2.031   0.379
  521    HE2  LYS  68           HE2      LYS  68 -17.952  -3.403   0.747
  522    HE3  LYS  68           HE1      LYS  68 -17.926  -2.016   1.837
  523    HZ1  LYS  68           HZ1      LYS  68 -19.251  -1.735  -0.763
  524    HZ2  LYS  68           HZ2      LYS  68 -19.601  -0.980   0.719
  525    HZ3  LYS  68           HZ3      LYS  68 -20.051  -2.598   0.460
  526    H    ARG  69           HN       ARG  69 -15.969   4.262  -1.700
  527    HA   ARG  69           HA       ARG  69 -13.168   3.435  -1.713
  528    HB2  ARG  69           HB2      ARG  69 -14.427   6.196  -1.752
  529    HB3  ARG  69           HB1      ARG  69 -12.718   5.855  -2.030
  530    HG2  ARG  69           HG2      ARG  69 -13.567   4.236  -3.878
  531    HG3  ARG  69           HG1      ARG  69 -15.084   5.127  -3.750
  532    HD2  ARG  69           HD2      ARG  69 -13.516   7.238  -3.946
  533    HD3  ARG  69           HD1      ARG  69 -12.396   6.087  -4.675
  534    HE   ARG  69           HE       ARG  69 -14.810   5.652  -5.996
  535   HH11  ARG  69          HH21      ARG  69 -12.702   8.303  -5.354
  536   HH12  ARG  69          HH22      ARG  69 -13.080   9.132  -6.828
  537   HH21  ARG  69          HH11      ARG  69 -15.315   6.718  -7.923
  538   HH22  ARG  69          HH12      ARG  69 -14.560   8.235  -8.282
  539    H    THR  70           HN       THR  70 -12.191   2.961   0.202
  540    HA   THR  70           HA       THR  70 -13.143   4.086   2.716
  541    HB   THR  70           HB       THR  70 -10.644   2.993   3.222
  542    HG1  THR  70           HG1      THR  70 -11.908   1.759   1.019
  543   HG21  THR  70          HG21      THR  70 -12.561   2.505   4.565
  544   HG22  THR  70          HG22      THR  70 -12.005   0.968   3.904
  545   HG23  THR  70          HG23      THR  70 -13.407   1.775   3.202
  546    H    TYR  71           HN       TYR  71 -11.309   4.999   4.225
  547    HA   TYR  71           HA       TYR  71  -9.294   6.607   2.863
  548    HB2  TYR  71           HB2      TYR  71 -11.692   7.898   4.190
  549    HB3  TYR  71           HB1      TYR  71 -10.205   8.764   3.801
  550    HD1  TYR  71           HD1      TYR  71  -9.438   8.923   1.414
  551    HD2  TYR  71           HD2      TYR  71 -13.281   7.334   2.491
  552    HE1  TYR  71           HE1      TYR  71 -10.209   9.200  -0.925
  553    HE2  TYR  71           HE2      TYR  71 -14.052   7.614   0.152
  554    HH   TYR  71           HH       TYR  71 -11.834   8.614  -2.405
  555    H    LEU  72           HN       LEU  72  -8.610   8.328   4.862
  556    HA   LEU  72           HA       LEU  72  -8.179   6.537   7.212
  557    HB2  LEU  72           HB2      LEU  72  -6.229   8.675   6.961
  558    HB3  LEU  72           HB1      LEU  72  -5.964   6.939   7.096
  559    HG   LEU  72           HG       LEU  72  -6.691   8.398   4.534
  560   HD11  LEU  72          HD11      LEU  72  -4.180   7.107   4.371
  561   HD12  LEU  72          HD12      LEU  72  -4.178   8.002   5.890
  562   HD13  LEU  72          HD13      LEU  72  -4.494   8.842   4.372
  563   HD21  LEU  72          HD21      LEU  72  -6.907   5.653   5.291
  564   HD22  LEU  72          HD22      LEU  72  -5.538   5.786   4.188
  565   HD23  LEU  72          HD23      LEU  72  -7.130   6.350   3.687
  566    H    SER  73           HN       SER  73  -9.680   9.352   6.187
  567    HA   SER  73           HA       SER  73 -10.028  10.197   9.000
  568    HB2  SER  73           HB2      SER  73  -8.681  11.833   6.878
  569    HB3  SER  73           HB1      SER  73  -9.687  12.649   8.071
  570    HG   SER  73           HG       SER  73  -7.230  11.959   8.387
  571    H    GLN  74           HN       GLN  74 -12.147  10.723   9.315
  572    HA   GLN  74           HA       GLN  74 -14.154  10.396   7.424
  573    HB2  GLN  74           HB2      GLN  74 -14.137  12.339   9.748
  574    HB3  GLN  74           HB1      GLN  74 -15.581  11.803   8.885
  575    HG2  GLN  74           HG2      GLN  74 -13.690   9.762  10.006
  576    HG3  GLN  74           HG1      GLN  74 -14.845  10.555  11.077
  577   HE21  GLN  74          HE21      GLN  74 -14.687   8.717   7.994
  578   HE22  GLN  74          HE22      GLN  74 -16.242   8.054   8.133
  579    H    ARG  75           HN       ARG  75 -11.991  13.077   7.827
  580    HA   ARG  75           HA       ARG  75 -13.495  15.046   6.364
  581    HB2  ARG  75           HB2      ARG  75 -11.513  15.506   7.853
  582    HB3  ARG  75           HB1      ARG  75 -10.483  14.787   6.617
  583    HG2  ARG  75           HG2      ARG  75 -12.008  16.580   5.166
  584    HG3  ARG  75           HG1      ARG  75 -11.743  17.431   6.685
  585    HD2  ARG  75           HD2      ARG  75  -9.281  16.833   6.457
  586    HD3  ARG  75           HD1      ARG  75  -9.650  16.302   4.817
  587    HE   ARG  75           HE       ARG  75 -10.589  19.005   5.362
  588   HH11  ARG  75          HH21      ARG  75  -7.939  16.993   4.461
  589   HH12  ARG  75          HH22      ARG  75  -7.109  18.246   3.599
  590   HH21  ARG  75          HH11      ARG  75  -9.522  20.651   4.240
  591   HH22  ARG  75          HH12      ARG  75  -8.006  20.316   3.474
  592    H    ASP  76           HN       ASP  76 -11.305  12.459   5.466
  593    HA   ASP  76           HA       ASP  76 -11.136  13.297   2.672
  594    HB2  ASP  76           HB2      ASP  76 -10.074  11.046   4.322
  595    HB3  ASP  76           HB1      ASP  76 -10.205  10.800   2.581
  596    H    LEU  77           HN       LEU  77 -12.907  10.972   4.627
  597    HA   LEU  77           HA       LEU  77 -14.206   9.723   2.353
  598    HB2  LEU  77           HB2      LEU  77 -13.955   8.470   4.422
  599    HB3  LEU  77           HB1      LEU  77 -14.785   9.733   5.322
  600    HG   LEU  77           HG       LEU  77 -16.335   8.757   3.040
  601   HD11  LEU  77          HD11      LEU  77 -15.212   6.654   3.645
  602   HD12  LEU  77          HD12      LEU  77 -16.911   6.604   4.113
  603   HD13  LEU  77          HD13      LEU  77 -15.671   6.888   5.330
  604   HD21  LEU  77          HD21      LEU  77 -16.979   8.801   6.000
  605   HD22  LEU  77          HD22      LEU  77 -18.112   8.878   4.651
  606   HD23  LEU  77          HD23      LEU  77 -17.051  10.245   4.991
  607    H    GLN  78           HN       GLN  78 -14.810  12.366   4.593
  608    HA   GLN  78           HA       GLN  78 -17.532  12.780   3.767
  609    HB2  GLN  78           HB2      GLN  78 -16.633  13.749   5.878
  610    HB3  GLN  78           HB1      GLN  78 -15.555  14.770   4.927
  611    HG2  GLN  78           HG2      GLN  78 -17.542  16.043   5.584
  612    HG3  GLN  78           HG1      GLN  78 -17.540  15.807   3.837
  613   HE21  GLN  78          HE21      GLN  78 -19.108  14.286   2.929
  614   HE22  GLN  78          HE22      GLN  78 -20.429  13.733   3.842
  615    H    ALA  79           HN       ALA  79 -14.377  13.729   2.700
  616    HA   ALA  79           HA       ALA  79 -15.310  15.634   0.731
  617    HB1  ALA  79           HB1      ALA  79 -13.090  16.057   0.822
  618    HB2  ALA  79           HB2      ALA  79 -12.867  14.611  -0.163
  619    HB3  ALA  79           HB3      ALA  79 -12.771  14.506   1.591
  620    H    HIS  80           HN       HIS  80 -15.131  12.176   0.986
  621    HA   HIS  80           HA       HIS  80 -15.118  11.747  -1.906
  622    HB2  HIS  80           HB2      HIS  80 -14.336   9.928  -0.542
  623    HB3  HIS  80           HB1      HIS  80 -15.831   9.906   0.384
  624    HD1  HIS  80           HD1      HIS  80 -14.359   8.825  -2.871
  625    HD2  HIS  80           HD2      HIS  80 -18.079   8.801  -1.000
  626    HE1  HIS  80           HE1      HIS  80 -15.840   7.295  -4.244
  627    H    ILE  81           HN       ILE  81 -17.574  11.982   0.596
  628    HA   ILE  81           HA       ILE  81 -19.828  11.255  -0.983
  629    HB   ILE  81           HB       ILE  81 -19.982  13.390   1.110
  630   HG12  ILE  81          HG12      ILE  81 -18.520  11.723   2.027
  631   HG13  ILE  81          HG11      ILE  81 -20.084  11.591   2.817
  632   HG21  ILE  81          HG21      ILE  81 -22.053  12.862   0.002
  633   HG22  ILE  81          HG22      ILE  81 -22.115  12.170   1.621
  634   HG23  ILE  81          HG23      ILE  81 -21.798  11.133   0.230
  635   HD11  ILE  81          HD11      ILE  81 -19.852   9.372   2.338
  636   HD12  ILE  81          HD12      ILE  81 -18.678   9.672   1.063
  637   HD13  ILE  81          HD13      ILE  81 -20.398   9.844   0.731
  638    H    ASN  82           HN       ASN  82 -18.556  14.484  -0.204
  639    HA   ASN  82           HA       ASN  82 -20.432  15.746  -2.008
  640    HB2  ASN  82           HB2      ASN  82 -18.863  17.743  -1.727
  641    HB3  ASN  82           HB1      ASN  82 -19.626  17.124  -0.263
  642   HD21  ASN  82          HD21      ASN  82 -18.015  17.526   1.288
  643   HD22  ASN  82          HD22      ASN  82 -16.435  16.923   1.188
  644    H    HIS  83           HN       HIS  83 -17.400  14.168  -2.439
  645    HA   HIS  83           HA       HIS  83 -16.876  15.622  -4.933
  646    HB2  HIS  83           HB2      HIS  83 -15.454  13.341  -3.579
  647    HB3  HIS  83           HB1      HIS  83 -14.985  13.943  -5.163
  648    HD1  HIS  83           HD1      HIS  83 -12.745  14.482  -3.534
  649    HD2  HIS  83           HD2      HIS  83 -16.086  16.954  -3.183
  650    HE1  HIS  83           HE1      HIS  83 -11.940  16.626  -2.447
  651    HE2  HIS  83           HE2      HIS  83 -13.966  18.138  -2.230
  652    H    ARG  84           HN       ARG  84 -18.408  12.581  -4.018
  653    HA   ARG  84           HA       ARG  84 -18.816  12.068  -6.931
  654    HB2  ARG  84           HB2      ARG  84 -18.631   9.752  -5.053
  655    HB3  ARG  84           HB1      ARG  84 -18.277   9.824  -6.770
  656    HG2  ARG  84           HG2      ARG  84 -16.579  11.211  -4.660
  657    HG3  ARG  84           HG1      ARG  84 -16.244   9.602  -5.280
  658    HD2  ARG  84           HD2      ARG  84 -16.687  11.325  -7.524
  659    HD3  ARG  84           HD1      ARG  84 -15.529  12.100  -6.449
  660    HE   ARG  84           HE       ARG  84 -14.664   9.455  -6.647
  661   HH11  ARG  84          HH21      ARG  84 -15.375  12.089  -8.755
  662   HH12  ARG  84          HH22      ARG  84 -14.202  11.628  -9.944
  663   HH21  ARG  84          HH11      ARG  84 -13.126   8.838  -8.186
  664   HH22  ARG  84          HH12      ARG  84 -12.929   9.788  -9.622
  665    H    HIS  85           HN       HIS  85 -20.319  12.372  -3.863
  666    HA   HIS  85           HA       HIS  85 -22.793  11.093  -4.935
  667    HB2  HIS  85           HB2      HIS  85 -22.143  11.740  -2.054
  668    HB3  HIS  85           HB1      HIS  85 -23.505  10.789  -2.648
  669    HD1  HIS  85           HD1      HIS  85 -23.111   8.347  -2.463
  670    HD2  HIS  85           HD2      HIS  85 -19.550  10.419  -3.081
  671    HE1  HIS  85           HE1      HIS  85 -21.271   6.607  -2.503
  672    H    MET  86           HN       MET  86 -21.595  13.898  -3.135
  673    HA   MET  86           HA       MET  86 -22.594  15.998  -2.778
  674    HB2  MET  86           HB2      MET  86 -22.127  15.695  -5.379
  675    HB3  MET  86           HB1      MET  86 -23.888  15.765  -5.459
  676    HG2  MET  86           HG2      MET  86 -23.621  17.841  -3.892
  677    HG3  MET  86           HG1      MET  86 -21.958  17.852  -4.480
  678    HE1  MET  86           HE1      MET  86 -22.004  18.769  -8.044
  679    HE2  MET  86           HE2      MET  86 -21.353  17.582  -6.917
  680    HE3  MET  86           HE3      MET  86 -21.329  19.292  -6.495
  681    H    ARG  87           HN       ARG  87 -24.034  14.175  -1.478
  682    HA   ARG  87           HA       ARG  87 -26.159  14.020  -0.463
  683    HB2  ARG  87           HB2      ARG  87 -26.292  16.480  -1.567
  684    HB3  ARG  87           HB1      ARG  87 -27.510  15.659  -2.546
  685    HG2  ARG  87           HG2      ARG  87 -28.575  14.842  -0.422
  686    HG3  ARG  87           HG1      ARG  87 -27.436  15.843   0.478
  687    HD2  ARG  87           HD2      ARG  87 -28.493  17.554  -1.471
  688    HD3  ARG  87           HD1      ARG  87 -29.876  16.626  -0.894
  689    HE   ARG  87           HE       ARG  87 -28.385  18.603   0.642
  690   HH11  ARG  87          HH21      ARG  87 -30.281  15.724   0.704
  691   HH12  ARG  87          HH22      ARG  87 -30.844  15.971   2.323
  692   HH21  ARG  87          HH11      ARG  87 -29.109  18.942   2.757
  693   HH22  ARG  87          HH12      ARG  87 -30.181  17.793   3.485
  694    H    ALA  88           HN       ALA  88 -26.748  11.932  -0.864
  695    HA   ALA  88           HA       ALA  88 -26.990  10.607  -3.294
  696    HB1  ALA  88           HB1      ALA  88 -27.226   9.578  -1.005
  697    HB2  ALA  88           HB2      ALA  88 -28.417   9.005  -2.173
  698    HB3  ALA  88           HB3      ALA  88 -28.877  10.197  -0.958
  699    H    GLY  89           HN       GLY  89 -29.983  11.508  -1.578
  700    HA2  GLY  89           HA2      GLY  89 -31.808  12.797  -2.441
  701    HA3  GLY  89           HA1      GLY  89 -30.994  12.854  -4.006
  Start of MODEL   15
    1    H1   VAL   1           HT1      VAL   1 -12.686  -4.498   3.664
    2    H2   VAL   1           HT2      VAL   1 -12.246  -3.674   5.083
    3    H3   VAL   1           HT3      VAL   1 -13.651  -3.226   4.239
    4    HA   VAL   1           HA       VAL   1 -14.133  -4.529   6.256
    5    HB   VAL   1           HB       VAL   1 -15.144  -6.485   4.502
    6   HG11  VAL   1          HG11      VAL   1 -17.211  -5.118   4.671
    7   HG12  VAL   1          HG12      VAL   1 -16.259  -3.784   5.321
    8   HG13  VAL   1          HG13      VAL   1 -16.408  -5.287   6.233
    9   HG21  VAL   1          HG21      VAL   1 -14.093  -5.165   2.657
   10   HG22  VAL   1          HG22      VAL   1 -15.031  -3.762   3.166
   11   HG23  VAL   1          HG23      VAL   1 -15.853  -5.195   2.550
   12    H    HIS   2           HN       HIS   2 -14.536  -7.204   6.385
   13    HA   HIS   2           HA       HIS   2 -11.769  -8.251   6.565
   14    HB2  HIS   2           HB2      HIS   2 -12.808 -10.014   7.987
   15    HB3  HIS   2           HB1      HIS   2 -13.048  -8.381   8.611
   16    HD1  HIS   2           HD1      HIS   2 -15.143  -9.966   9.733
   17    HD2  HIS   2           HD2      HIS   2 -15.474  -8.705   5.770
   18    HE1  HIS   2           HE1      HIS   2 -17.601 -10.124   9.133
   19    HE2  HIS   2           HE2      HIS   2 -17.813  -9.358   6.724
   20    H    PHE   3           HN       PHE   3 -12.476  -8.219   4.002
   21    HA   PHE   3           HA       PHE   3 -12.642 -11.052   3.298
   22    HB2  PHE   3           HB2      PHE   3 -14.973  -9.343   3.179
   23    HB3  PHE   3           HB1      PHE   3 -14.521  -9.863   1.557
   24    HD1  PHE   3           HD1      PHE   3 -15.630 -10.963   4.891
   25    HD2  PHE   3           HD2      PHE   3 -14.528 -12.228   0.937
   26    HE1  PHE   3           HE1      PHE   3 -16.591 -13.204   5.340
   27    HE2  PHE   3           HE2      PHE   3 -15.490 -14.470   1.386
   28    HZ   PHE   3           HZ       PHE   3 -16.521 -14.958   3.587
   29    H    CYS   4           HN       CYS   4 -10.767 -11.004   2.087
   30    HA   CYS   4           HA       CYS   4  -9.635  -8.900   0.668
   31    HB2  CYS   4           HB2      CYS   4  -9.650 -11.658  -0.548
   32    HB3  CYS   4           HB1      CYS   4  -8.346 -10.475  -0.517
   33    H    ASP   5           HN       ASP   5  -9.886  -8.071  -1.453
   34    HA   ASP   5           HA       ASP   5 -12.558  -8.520  -2.604
   35    HB2  ASP   5           HB2      ASP   5 -10.661  -6.353  -2.539
   36    HB3  ASP   5           HB1      ASP   5 -11.065  -6.731  -4.214
   37    H    LYS   6           HN       LYS   6  -9.214  -9.309  -3.237
   38    HA   LYS   6           HA       LYS   6  -9.868 -10.212  -5.976
   39    HB2  LYS   6           HB2      LYS   6  -7.799  -9.029  -5.820
   40    HB3  LYS   6           HB1      LYS   6  -7.276  -9.982  -4.436
   41    HG2  LYS   6           HG2      LYS   6  -7.954 -11.535  -6.873
   42    HG3  LYS   6           HG1      LYS   6  -6.534 -10.506  -7.006
   43    HD2  LYS   6           HD2      LYS   6  -5.351 -11.680  -5.396
   44    HD3  LYS   6           HD1      LYS   6  -6.805 -12.218  -4.558
   45    HE2  LYS   6           HE2      LYS   6  -5.738 -14.092  -5.737
   46    HE3  LYS   6           HE1      LYS   6  -7.326 -13.743  -6.420
   47    HZ1  LYS   6           HZ1      LYS   6  -4.872 -13.779  -7.734
   48    HZ2  LYS   6           HZ2      LYS   6  -5.393 -12.162  -7.712
   49    HZ3  LYS   6           HZ3      LYS   6  -6.389 -13.369  -8.374
   50    H    CYS   7           HN       CYS   7  -9.099 -11.531  -2.798
   51    HA   CYS   7           HA       CYS   7  -9.213 -14.280  -3.941
   52    HB2  CYS   7           HB2      CYS   7  -8.511 -14.320  -1.183
   53    HB3  CYS   7           HB1      CYS   7  -7.504 -14.732  -2.570
   54    H    GLY   8           HN       GLY   8 -10.876 -12.081  -1.797
   55    HA2  GLY   8           HA2      GLY   8 -13.071 -12.326  -0.939
   56    HA3  GLY   8           HA1      GLY   8 -13.130 -13.937  -1.650
   57    H    LEU   9           HN       LEU   9 -10.298 -13.839   0.040
   58    HA   LEU   9           HA       LEU   9 -11.395 -15.463   2.223
   59    HB2  LEU   9           HB2      LEU   9  -8.754 -14.830   1.083
   60    HB3  LEU   9           HB1      LEU   9  -8.739 -14.959   2.837
   61    HG   LEU   9           HG       LEU   9  -9.840 -17.172   2.680
   62   HD11  LEU   9          HD11      LEU   9  -9.661 -18.091   0.175
   63   HD12  LEU   9          HD12      LEU   9  -9.928 -16.389  -0.200
   64   HD13  LEU   9          HD13      LEU   9 -11.112 -17.277   0.760
   65   HD21  LEU   9          HD21      LEU   9  -7.702 -17.887   2.678
   66   HD22  LEU   9          HD22      LEU   9  -7.193 -16.499   1.718
   67   HD23  LEU   9          HD23      LEU   9  -7.784 -17.955   0.917
   68    HA   PRO  10           HA       PRO  10 -11.736 -12.171   5.144
   69    HB2  PRO  10           HB2      PRO  10 -10.714 -13.209   7.469
   70    HB3  PRO  10           HB1      PRO  10 -12.324 -13.581   6.829
   71    HG2  PRO  10           HG2      PRO  10  -9.846 -15.199   6.765
   72    HG3  PRO  10           HG1      PRO  10 -11.536 -15.717   6.852
   73    HD2  PRO  10           HD2      PRO  10  -9.992 -15.806   4.556
   74    HD3  PRO  10           HD1      PRO  10 -11.766 -15.768   4.567
   75    H    ILE  11           HN       ILE  11 -10.583 -10.346   5.534
   76    HA   ILE  11           HA       ILE  11  -7.698 -10.348   5.085
   77    HB   ILE  11           HB       ILE  11  -9.597  -8.117   5.851
   78   HG12  ILE  11          HG12      ILE  11  -8.370  -8.685   3.159
   79   HG13  ILE  11          HG11      ILE  11  -9.927  -9.373   3.630
   80   HG21  ILE  11          HG21      ILE  11  -7.413  -7.101   4.447
   81   HG22  ILE  11          HG22      ILE  11  -6.714  -8.262   5.574
   82   HG23  ILE  11          HG23      ILE  11  -7.708  -6.939   6.178
   83   HD11  ILE  11          HD11      ILE  11  -9.670  -6.492   4.180
   84   HD12  ILE  11          HD12      ILE  11 -11.000  -7.383   3.440
   85   HD13  ILE  11          HD13      ILE  11  -9.610  -6.907   2.467
   86    H    LYS  12           HN       LYS  12  -6.274 -10.764   6.679
   87    HA   LYS  12           HA       LYS  12  -7.070 -10.504   9.501
   88    HB2  LYS  12           HB2      LYS  12  -4.543 -11.195   9.758
   89    HB3  LYS  12           HB1      LYS  12  -5.713 -12.392   9.203
   90    HG2  LYS  12           HG2      LYS  12  -4.441 -10.694   7.113
   91    HG3  LYS  12           HG1      LYS  12  -3.420 -11.910   7.882
   92    HD2  LYS  12           HD2      LYS  12  -6.161 -12.670   6.915
   93    HD3  LYS  12           HD1      LYS  12  -4.826 -12.568   5.767
   94    HE2  LYS  12           HE2      LYS  12  -3.727 -14.373   6.667
   95    HE3  LYS  12           HE1      LYS  12  -4.308 -14.045   8.300
   96    HZ1  LYS  12           HZ1      LYS  12  -5.860 -15.569   7.983
   97    HZ2  LYS  12           HZ2      LYS  12  -5.366 -15.807   6.375
   98    HZ3  LYS  12           HZ3      LYS  12  -6.531 -14.627   6.743
   99    H    VAL  13           HN       VAL  13  -5.165  -8.834   7.091
  100    HA   VAL  13           HA       VAL  13  -4.830  -6.565   8.974
  101    HB   VAL  13           HB       VAL  13  -2.596  -7.224   7.119
  102   HG11  VAL  13          HG11      VAL  13  -2.654  -5.107   8.413
  103   HG12  VAL  13          HG12      VAL  13  -1.279  -6.113   8.870
  104   HG13  VAL  13          HG13      VAL  13  -2.703  -6.041   9.908
  105   HG21  VAL  13          HG21      VAL  13  -3.146  -8.597   9.759
  106   HG22  VAL  13          HG22      VAL  13  -1.538  -8.530   9.039
  107   HG23  VAL  13          HG23      VAL  13  -2.848  -9.355   8.195
  108    H    TYR  14           HN       TYR  14  -4.950  -4.556   7.859
  109    HA   TYR  14           HA       TYR  14  -6.148  -4.776   5.202
  110    HB2  TYR  14           HB2      TYR  14  -5.694  -2.546   7.136
  111    HB3  TYR  14           HB1      TYR  14  -6.066  -2.177   5.457
  112    HD1  TYR  14           HD1      TYR  14  -7.330  -5.066   7.492
  113    HD2  TYR  14           HD2      TYR  14  -8.262  -1.342   5.583
  114    HE1  TYR  14           HE1      TYR  14  -9.733  -5.453   7.918
  115    HE2  TYR  14           HE2      TYR  14 -10.670  -1.719   6.016
  116    HH   TYR  14           HH       TYR  14 -12.010  -3.150   7.829
  117    H    GLY  15           HN       GLY  15  -4.622  -5.304   3.711
  118    HA2  GLY  15           HA2      GLY  15  -1.991  -4.083   3.625
  119    HA3  GLY  15           HA1      GLY  15  -2.707  -5.081   2.351
  120    H    ARG  16           HN       ARG  16  -2.504  -1.867   3.670
  121    HA   ARG  16           HA       ARG  16  -4.339  -0.601   1.871
  122    HB2  ARG  16           HB2      ARG  16  -3.472   0.447   3.966
  123    HB3  ARG  16           HB1      ARG  16  -1.896   0.621   3.193
  124    HG2  ARG  16           HG2      ARG  16  -2.566   2.508   2.167
  125    HG3  ARG  16           HG1      ARG  16  -3.936   1.664   1.445
  126    HD2  ARG  16           HD2      ARG  16  -5.288   2.044   3.423
  127    HD3  ARG  16           HD1      ARG  16  -3.909   2.730   4.283
  128    HE   ARG  16           HE       ARG  16  -5.551   4.109   2.299
  129   HH11  ARG  16          HH21      ARG  16  -2.490   3.836   3.862
  130   HH12  ARG  16          HH22      ARG  16  -2.053   5.490   3.586
  131   HH21  ARG  16          HH11      ARG  16  -4.999   6.269   1.932
  132   HH22  ARG  16          HH12      ARG  16  -3.473   6.867   2.493
  133    H    MET  17           HN       MET  17  -4.030   0.383  -0.095
  134    HA   MET  17           HA       MET  17  -1.399  -0.079  -1.453
  135    HB2  MET  17           HB2      MET  17  -4.058  -0.066  -2.867
  136    HB3  MET  17           HB1      MET  17  -2.525  -0.740  -3.406
  137    HG2  MET  17           HG2      MET  17  -2.808  -2.204  -1.202
  138    HG3  MET  17           HG1      MET  17  -4.511  -1.854  -1.488
  139    HE1  MET  17           HE1      MET  17  -1.240  -2.667  -3.464
  140    HE2  MET  17           HE2      MET  17  -1.598  -4.308  -3.997
  141    HE3  MET  17           HE3      MET  17  -1.527  -3.945  -2.280
  142    H    ILE  18           HN       ILE  18  -0.574   1.710  -2.463
  143    HA   ILE  18           HA       ILE  18  -2.345   4.088  -2.779
  144    HB   ILE  18           HB       ILE  18   0.161   5.160  -2.618
  145   HG12  ILE  18          HG12      ILE  18   0.106   2.839  -0.675
  146   HG13  ILE  18          HG11      ILE  18   1.109   2.934  -2.126
  147   HG21  ILE  18          HG21      ILE  18  -1.876   5.855  -1.336
  148   HG22  ILE  18          HG22      ILE  18  -0.439   5.804  -0.321
  149   HG23  ILE  18          HG23      ILE  18  -1.618   4.496  -0.245
  150   HD11  ILE  18          HD11      ILE  18   1.208   4.760   0.287
  151   HD12  ILE  18          HD12      ILE  18   2.081   5.074  -1.213
  152   HD13  ILE  18          HD13      ILE  18   2.462   3.644  -0.253
  153    HA   PRO  19           HA       PRO  19  -1.815   6.182  -3.632
  154    HB2  PRO  19           HB2      PRO  19  -2.744   7.559  -5.765
  155    HB3  PRO  19           HB1      PRO  19  -1.027   7.567  -5.318
  156    HG2  PRO  19           HG2      PRO  19  -2.413   6.080  -7.481
  157    HG3  PRO  19           HG1      PRO  19  -0.801   6.815  -7.465
  158    HD2  PRO  19           HD2      PRO  19  -1.314   4.099  -7.098
  159    HD3  PRO  19           HD1      PRO  19   0.174   4.929  -6.605
  160    H    CYS  20           HN       CYS  20  -3.143   3.589  -5.073
  161    HA   CYS  20           HA       CYS  20  -5.810   4.225  -5.729
  162    HB2  CYS  20           HB2      CYS  20  -4.269   1.881  -5.276
  163    HB3  CYS  20           HB1      CYS  20  -5.716   1.741  -4.281
  164    H    LYS  21           HN       LYS  21  -4.310   3.622  -2.590
  165    HA   LYS  21           HA       LYS  21  -5.050   4.199  -0.439
  166    HB2  LYS  21           HB2      LYS  21  -6.212   6.123  -2.020
  167    HB3  LYS  21           HB1      LYS  21  -7.628   5.344  -1.315
  168    HG2  LYS  21           HG2      LYS  21  -6.531   5.580   0.946
  169    HG3  LYS  21           HG1      LYS  21  -5.286   6.560   0.168
  170    HD2  LYS  21           HD2      LYS  21  -7.302   7.937  -0.764
  171    HD3  LYS  21           HD1      LYS  21  -8.207   7.176   0.545
  172    HE2  LYS  21           HE2      LYS  21  -7.382   9.212   1.464
  173    HE3  LYS  21           HE1      LYS  21  -6.316   7.956   2.094
  174    HZ1  LYS  21           HZ1      LYS  21  -4.593   8.641   0.822
  175    HZ2  LYS  21           HZ2      LYS  21  -5.397  10.133   0.946
  176    HZ3  LYS  21           HZ3      LYS  21  -5.579   9.179  -0.449
  177    H    HIS  22           HN       HIS  22  -5.825   1.844  -2.129
  178    HA   HIS  22           HA       HIS  22  -8.431   1.099  -0.898
  179    HB2  HIS  22           HB2      HIS  22  -6.781  -0.254  -3.048
  180    HB3  HIS  22           HB1      HIS  22  -8.337  -0.838  -2.460
  181    HD2  HIS  22           HD2      HIS  22  -9.715   2.303  -2.430
  182    HE1  HIS  22           HE1      HIS  22  -9.053   2.025  -6.590
  183    HE2  HIS  22           HE2      HIS  22 -10.315   3.266  -4.777
  184    H    VAL  23           HN       VAL  23  -8.430  -1.409  -0.267
  185    HA   VAL  23           HA       VAL  23  -5.840  -2.147   0.964
  186    HB   VAL  23           HB       VAL  23  -6.610  -2.297   3.148
  187   HG11  VAL  23          HG11      VAL  23  -7.581  -0.173   3.682
  188   HG12  VAL  23          HG12      VAL  23  -8.311  -0.034   2.086
  189   HG13  VAL  23          HG13      VAL  23  -6.561   0.073   2.269
  190   HG21  VAL  23          HG21      VAL  23  -9.182  -2.068   3.559
  191   HG22  VAL  23          HG22      VAL  23  -8.549  -3.610   2.987
  192   HG23  VAL  23          HG23      VAL  23  -9.325  -2.500   1.858
  193    H    PHE  24           HN       PHE  24  -5.666  -4.351   1.535
  194    HA   PHE  24           HA       PHE  24  -7.867  -6.185   0.836
  195    HB2  PHE  24           HB2      PHE  24  -5.162  -6.412  -0.523
  196    HB3  PHE  24           HB1      PHE  24  -6.549  -7.475  -0.757
  197    HD1  PHE  24           HD1      PHE  24  -5.320  -4.008  -1.219
  198    HD2  PHE  24           HD2      PHE  24  -8.299  -6.908  -2.265
  199    HE1  PHE  24           HE1      PHE  24  -6.154  -2.504  -3.000
  200    HE2  PHE  24           HE2      PHE  24  -9.134  -5.408  -4.048
  201    HZ   PHE  24           HZ       PHE  24  -8.057  -3.206  -4.426
  202    H    CYS  25           HN       CYS  25  -6.173  -8.479   0.744
  203    HA   CYS  25           HA       CYS  25  -5.523  -8.695   3.606
  204    HB2  CYS  25           HB2      CYS  25  -4.627 -11.013   2.565
  205    HB3  CYS  25           HB1      CYS  25  -6.336 -10.741   2.916
  206    H    TYR  26           HN       TYR  26  -3.616  -7.716   4.181
  207    HA   TYR  26           HA       TYR  26  -1.512  -7.028   2.474
  208    HB2  TYR  26           HB2      TYR  26  -1.752  -6.288   4.858
  209    HB3  TYR  26           HB1      TYR  26  -1.185  -7.878   5.362
  210    HD1  TYR  26           HD2      TYR  26  -0.146  -5.230   2.862
  211    HD2  TYR  26           HD1      TYR  26   1.062  -7.999   5.924
  212    HE1  TYR  26           HE2      TYR  26   2.203  -4.502   2.599
  213    HE2  TYR  26           HE1      TYR  26   3.412  -7.262   5.657
  214    HH   TYR  26           HH       TYR  26   4.333  -4.521   4.278
  215    H    ASP  27           HN       ASP  27  -2.477 -10.165   3.316
  216    HA   ASP  27           HA       ASP  27   0.176 -11.359   2.999
  217    HB2  ASP  27           HB2      ASP  27  -1.355 -12.541   4.441
  218    HB3  ASP  27           HB1      ASP  27  -2.602 -12.547   3.194
  219    H    CYS  28           HN       CYS  28  -2.838 -11.263   1.103
  220    HA   CYS  28           HA       CYS  28  -1.473 -12.452  -1.189
  221    HB2  CYS  28           HB2      CYS  28  -4.122 -11.031  -1.364
  222    HB3  CYS  28           HB1      CYS  28  -3.549 -12.409  -2.297
  223    H    ALA  29           HN       ALA  29  -2.012  -9.296   0.105
  224    HA   ALA  29           HA       ALA  29  -1.658  -7.819  -2.335
  225    HB1  ALA  29           HB1      ALA  29  -1.756  -5.947  -0.984
  226    HB2  ALA  29           HB2      ALA  29  -0.728  -6.665   0.255
  227    HB3  ALA  29           HB3      ALA  29  -2.430  -7.113   0.154
  228    H    ILE  30           HN       ILE  30   0.537  -9.164   0.115
  229    HA   ILE  30           HA       ILE  30   2.851  -7.907  -1.132
  230    HB   ILE  30           HB       ILE  30   4.173  -9.164   0.468
  231   HG12  ILE  30          HG12      ILE  30   1.649 -10.485   1.445
  232   HG13  ILE  30          HG11      ILE  30   2.732 -11.296   0.323
  233   HG21  ILE  30          HG21      ILE  30   1.745  -7.683   1.281
  234   HG22  ILE  30          HG22      ILE  30   3.438  -7.358   1.632
  235   HG23  ILE  30          HG23      ILE  30   2.567  -8.581   2.552
  236   HD11  ILE  30          HD11      ILE  30   4.567 -11.141   1.897
  237   HD12  ILE  30          HD12      ILE  30   3.184 -11.865   2.716
  238   HD13  ILE  30          HD13      ILE  30   3.589 -10.172   2.998
  239    H    LEU  31           HN       LEU  31   1.195 -11.012  -1.280
  240    HA   LEU  31           HA       LEU  31   3.253 -12.351  -2.805
  241    HB2  LEU  31           HB2      LEU  31   0.263 -12.789  -2.651
  242    HB3  LEU  31           HB1      LEU  31   1.329 -13.818  -3.600
  243    HG   LEU  31           HG       LEU  31   1.983 -13.294  -0.715
  244   HD11  LEU  31          HD11      LEU  31   0.675 -15.643  -0.522
  245   HD12  LEU  31          HD12      LEU  31  -0.295 -14.887  -1.786
  246   HD13  LEU  31          HD13      LEU  31  -0.114 -14.095  -0.220
  247   HD21  LEU  31          HD21      LEU  31   3.283 -14.668  -2.656
  248   HD22  LEU  31          HD22      LEU  31   2.248 -15.949  -2.033
  249   HD23  LEU  31          HD23      LEU  31   3.364 -15.115  -0.953
  250    H    HIS  32           HN       HIS  32   0.494 -10.312  -3.662
  251    HA   HIS  32           HA       HIS  32   0.845 -10.601  -6.524
  252    HB2  HIS  32           HB2      HIS  32  -0.762  -8.890  -4.702
  253    HB3  HIS  32           HB1      HIS  32  -0.415  -8.217  -6.295
  254    HD1  HIS  32           HD1      HIS  32  -1.759  -9.103  -8.232
  255    HD2  HIS  32           HD2      HIS  32  -2.100 -11.523  -4.851
  256    HE1  HIS  32           HE1      HIS  32  -3.523 -10.843  -8.770
  257    HE2  HIS  32           HE2      HIS  32  -3.738 -12.320  -6.719
  258    H    GLU  33           HN       GLU  33   2.171  -8.513  -4.036
  259    HA   GLU  33           HA       GLU  33   3.376  -6.675  -5.931
  260    HB2  GLU  33           HB2      GLU  33   3.745  -5.455  -4.069
  261    HB3  GLU  33           HB1      GLU  33   2.979  -6.741  -3.148
  262    HG2  GLU  33           HG2      GLU  33   5.196  -7.861  -2.909
  263    HG3  GLU  33           HG1      GLU  33   5.944  -6.506  -3.764
  264    H    LYS  34           HN       LYS  34   4.378  -9.604  -4.230
  265    HA   LYS  34           HA       LYS  34   7.140  -9.444  -5.111
  266    HB2  LYS  34           HB2      LYS  34   5.411 -11.590  -3.889
  267    HB3  LYS  34           HB1      LYS  34   7.002 -11.994  -4.536
  268    HG2  LYS  34           HG2      LYS  34   8.120 -10.807  -2.914
  269    HG3  LYS  34           HG1      LYS  34   6.829  -9.616  -2.748
  270    HD2  LYS  34           HD2      LYS  34   5.517 -11.053  -1.400
  271    HD3  LYS  34           HD1      LYS  34   6.451 -12.476  -1.862
  272    HE2  LYS  34           HE2      LYS  34   7.917 -10.243  -0.531
  273    HE3  LYS  34           HE1      LYS  34   6.858 -11.235   0.472
  274    HZ1  LYS  34           HZ1      LYS  34   8.599 -12.656  -1.373
  275    HZ2  LYS  34           HZ2      LYS  34   8.154 -13.042   0.220
  276    HZ3  LYS  34           HZ3      LYS  34   9.365 -11.887  -0.070
  277    H    LYS  35           HN       LYS  35   4.141 -10.432  -6.498
  278    HA   LYS  35           HA       LYS  35   5.359 -12.118  -8.535
  279    HB2  LYS  35           HB2      LYS  35   2.581 -11.128  -7.995
  280    HB3  LYS  35           HB1      LYS  35   2.968 -11.856  -9.553
  281    HG2  LYS  35           HG2      LYS  35   3.735 -13.896  -8.460
  282    HG3  LYS  35           HG1      LYS  35   3.485 -13.171  -6.870
  283    HD2  LYS  35           HD2      LYS  35   1.123 -13.132  -7.142
  284    HD3  LYS  35           HD1      LYS  35   1.240 -13.435  -8.875
  285    HE2  LYS  35           HE2      LYS  35   2.017 -15.382  -6.683
  286    HE3  LYS  35           HE1      LYS  35   0.572 -15.485  -7.690
  287    HZ1  LYS  35           HZ1      LYS  35   2.014 -16.846  -8.808
  288    HZ2  LYS  35           HZ2      LYS  35   3.385 -15.919  -8.421
  289    HZ3  LYS  35           HZ3      LYS  35   2.296 -15.377  -9.607
  290    H    GLY  36           HN       GLY  36   4.166  -8.820  -8.300
  291    HA2  GLY  36           HA2      GLY  36   5.505  -8.238 -10.905
  292    HA3  GLY  36           HA1      GLY  36   3.873  -7.641 -10.601
  293    H    ASP  37           HN       ASP  37   4.318  -7.107  -7.784
  294    HA   ASP  37           HA       ASP  37   5.242  -5.425  -6.378
  295    HB2  ASP  37           HB2      ASP  37   7.388  -6.268  -7.808
  296    HB3  ASP  37           HB1      ASP  37   7.295  -4.585  -8.327
  297    H    LYS  38           HN       LYS  38   3.382  -4.931  -8.808
  298    HA   LYS  38           HA       LYS  38   3.260  -2.061  -8.427
  299    HB2  LYS  38           HB2      LYS  38   3.493  -1.596 -10.904
  300    HB3  LYS  38           HB1      LYS  38   4.983  -1.971 -10.039
  301    HG2  LYS  38           HG2      LYS  38   4.939  -4.253 -10.836
  302    HG3  LYS  38           HG1      LYS  38   3.356  -4.013 -11.565
  303    HD2  LYS  38           HD2      LYS  38   5.538  -2.155 -12.386
  304    HD3  LYS  38           HD1      LYS  38   5.602  -3.808 -13.002
  305    HE2  LYS  38           HE2      LYS  38   3.357  -3.603 -13.920
  306    HE3  LYS  38           HE1      LYS  38   3.176  -2.001 -13.204
  307    HZ1  LYS  38           HZ1      LYS  38   3.776  -1.720 -15.469
  308    HZ2  LYS  38           HZ2      LYS  38   5.069  -2.815 -15.339
  309    HZ3  LYS  38           HZ3      LYS  38   5.139  -1.314 -14.544
  310    H    MET  39           HN       MET  39   1.359  -4.191  -8.029
  311    HA   MET  39           HA       MET  39  -0.744  -3.205  -9.864
  312    HB2  MET  39           HB2      MET  39  -0.080  -6.141  -9.552
  313    HB3  MET  39           HB1      MET  39  -1.511  -5.514 -10.373
  314    HG2  MET  39           HG2      MET  39   0.081  -4.161 -11.828
  315    HG3  MET  39           HG1      MET  39   1.379  -5.136 -11.143
  316    HE1  MET  39           HE1      MET  39  -1.779  -4.938 -13.259
  317    HE2  MET  39           HE2      MET  39  -1.342  -6.063 -14.541
  318    HE3  MET  39           HE3      MET  39  -0.290  -4.696 -14.184
  319    H    CYS  40           HN       CYS  40  -2.691  -3.039  -8.955
  320    HA   CYS  40           HA       CYS  40  -3.020  -3.800  -6.124
  321    HB2  CYS  40           HB2      CYS  40  -3.643  -1.514  -7.043
  322    HB3  CYS  40           HB1      CYS  40  -4.951  -2.311  -7.913
  323    HA   PRO  41           HA       PRO  41  -4.938  -7.665  -7.684
  324    HB2  PRO  41           HB2      PRO  41  -6.062  -7.583  -4.913
  325    HB3  PRO  41           HB1      PRO  41  -5.312  -8.933  -5.787
  326    HG2  PRO  41           HG2      PRO  41  -4.005  -7.581  -3.900
  327    HG3  PRO  41           HG1      PRO  41  -3.188  -8.229  -5.330
  328    HD2  PRO  41           HD2      PRO  41  -3.830  -5.419  -4.654
  329    HD3  PRO  41           HD1      PRO  41  -2.549  -6.057  -5.703
  330    H    GLY  42           HN       GLY  42  -6.537  -4.870  -6.346
  331    HA2  GLY  42           HA2      GLY  42  -9.200  -5.895  -7.189
  332    HA3  GLY  42           HA1      GLY  42  -8.924  -4.473  -6.190
  333    H    CYS  43           HN       CYS  43  -7.468  -2.758  -7.464
  334    HA   CYS  43           HA       CYS  43  -8.951  -2.253  -9.964
  335    HB2  CYS  43           HB2      CYS  43  -6.958  -0.313  -8.888
  336    HB3  CYS  43           HB1      CYS  43  -8.534  -0.012  -9.620
  337    H    SER  44           HN       SER  44  -6.187  -3.843  -9.247
  338    HA   SER  44           HA       SER  44  -4.200  -4.297 -10.424
  339    HB2  SER  44           HB2      SER  44  -4.621  -4.962 -12.586
  340    HB3  SER  44           HB1      SER  44  -6.287  -4.777 -12.044
  341    HG   SER  44           HG       SER  44  -6.073  -3.622 -13.924
  342    H    ASP  45           HN       ASP  45  -4.470  -1.578  -9.452
  343    HA   ASP  45           HA       ASP  45  -3.322   0.074 -11.621
  344    HB2  ASP  45           HB2      ASP  45  -4.809   0.580  -9.168
  345    HB3  ASP  45           HB1      ASP  45  -3.359   1.577  -9.260
  346    HA   PRO  46           HA       PRO  46   0.846  -0.337 -10.273
  347    HB2  PRO  46           HB2      PRO  46   1.728   2.289 -10.227
  348    HB3  PRO  46           HB1      PRO  46   1.574   1.303 -11.690
  349    HG2  PRO  46           HG2      PRO  46  -0.251   3.382 -10.611
  350    HG3  PRO  46           HG1      PRO  46   0.170   3.004 -12.290
  351    HD2  PRO  46           HD2      PRO  46  -2.191   2.237 -11.175
  352    HD3  PRO  46           HD1      PRO  46  -1.379   1.284 -12.436
  353    H    VAL  47           HN       VAL  47   0.078  -1.010  -8.059
  354    HA   VAL  47           HA       VAL  47  -0.351   0.775  -5.914
  355    HB   VAL  47           HB       VAL  47   0.165  -1.009  -4.414
  356   HG11  VAL  47          HG11      VAL  47  -0.879  -3.001  -5.745
  357   HG12  VAL  47          HG12      VAL  47  -1.109  -1.815  -7.015
  358   HG13  VAL  47          HG13      VAL  47  -1.849  -1.569  -5.441
  359   HG21  VAL  47          HG21      VAL  47   1.171  -3.157  -5.633
  360   HG22  VAL  47          HG22      VAL  47   2.213  -1.934  -4.912
  361   HG23  VAL  47          HG23      VAL  47   1.905  -1.923  -6.645
  362    H    GLN  48           HN       GLN  48   1.027   2.561  -5.861
  363    HA   GLN  48           HA       GLN  48   3.758   2.644  -6.437
  364    HB2  GLN  48           HB2      GLN  48   2.388   4.666  -5.979
  365    HB3  GLN  48           HB1      GLN  48   2.338   4.228  -4.272
  366    HG2  GLN  48           HG2      GLN  48   4.331   5.216  -3.946
  367    HG3  GLN  48           HG1      GLN  48   5.066   4.160  -5.153
  368   HE21  GLN  48          HE21      GLN  48   3.506   7.323  -4.691
  369   HE22  GLN  48          HE22      GLN  48   4.006   7.975  -6.176
  370    H    ARG  49           HN       ARG  49   2.208   2.126  -3.279
  371    HA   ARG  49           HA       ARG  49   4.335   0.267  -2.577
  372    HB2  ARG  49           HB2      ARG  49   4.284   2.079  -0.355
  373    HB3  ARG  49           HB1      ARG  49   5.662   1.589  -1.332
  374    HG2  ARG  49           HG2      ARG  49   5.338   3.394  -2.865
  375    HG3  ARG  49           HG1      ARG  49   3.740   3.761  -2.209
  376    HD2  ARG  49           HD2      ARG  49   4.723   4.448  -0.093
  377    HD3  ARG  49           HD1      ARG  49   6.327   3.979  -0.654
  378    HE   ARG  49           HE       ARG  49   5.501   5.808  -2.550
  379   HH11  ARG  49          HH21      ARG  49   5.681   5.719   0.891
  380   HH12  ARG  49          HH22      ARG  49   5.964   7.421   1.053
  381   HH21  ARG  49          HH11      ARG  49   5.868   8.031  -2.359
  382   HH22  ARG  49          HH12      ARG  49   6.069   8.729  -0.787
  383    H    ILE  50           HN       ILE  50   3.349  -1.322  -1.442
  384    HA   ILE  50           HA       ILE  50   0.685  -0.838  -0.370
  385    HB   ILE  50           HB       ILE  50   2.233  -3.351   0.142
  386   HG12  ILE  50          HG12      ILE  50   0.883  -2.593  -2.469
  387   HG13  ILE  50          HG11      ILE  50   2.614  -2.793  -2.236
  388   HG21  ILE  50          HG21      ILE  50  -0.663  -2.750  -0.496
  389   HG22  ILE  50          HG22      ILE  50  -0.010  -3.048   1.111
  390   HG23  ILE  50          HG23      ILE  50  -0.018  -4.338  -0.090
  391   HD11  ILE  50          HD11      ILE  50   1.650  -4.824  -3.219
  392   HD12  ILE  50          HD12      ILE  50   0.531  -4.961  -1.865
  393   HD13  ILE  50          HD13      ILE  50   2.262  -5.151  -1.598
  394    H    GLU  51           HN       GLU  51   0.135  -0.873   1.776
  395    HA   GLU  51           HA       GLU  51   2.338  -1.058   3.766
  396    HB2  GLU  51           HB2      GLU  51   0.315   1.187   3.742
  397    HB3  GLU  51           HB1      GLU  51   1.707   1.013   4.817
  398    HG2  GLU  51           HG2      GLU  51   3.191   1.047   2.795
  399    HG3  GLU  51           HG1      GLU  51   1.770   1.419   1.818
  400    H    GLN  52           HN       GLN  52   1.669  -1.605   5.860
  401    HA   GLN  52           HA       GLN  52  -0.832  -3.143   5.928
  402    HB2  GLN  52           HB2      GLN  52   1.499  -2.820   7.817
  403    HB3  GLN  52           HB1      GLN  52   0.031  -3.670   8.303
  404    HG2  GLN  52           HG2      GLN  52   0.376  -5.409   6.815
  405    HG3  GLN  52           HG1      GLN  52   1.294  -4.404   5.694
  406   HE21  GLN  52          HE21      GLN  52   1.524  -6.173   8.781
  407   HE22  GLN  52          HE22      GLN  52   3.220  -6.222   8.817
  408    H    CYS  53           HN       CYS  53  -2.603  -2.686   7.241
  409    HA   CYS  53           HA       CYS  53  -2.493  -0.300   8.984
  410    HB2  CYS  53           HB2      CYS  53  -3.821  -0.412   6.399
  411    HB3  CYS  53           HB1      CYS  53  -4.966  -0.074   7.697
  412    H    THR  54           HN       THR  54  -4.369  -0.218  10.469
  413    HA   THR  54           HA       THR  54  -5.147  -2.915  11.285
  414    HB   THR  54           HB       THR  54  -6.565  -0.816  12.682
  415    HG1  THR  54           HG1      THR  54  -3.759  -0.545  12.373
  416   HG21  THR  54          HG21      THR  54  -4.246  -2.557  13.555
  417   HG22  THR  54          HG22      THR  54  -5.924  -3.098  13.511
  418   HG23  THR  54          HG23      THR  54  -5.447  -1.790  14.595
  419    H    ARG  55           HN       ARG  55  -7.515  -3.358  11.773
  420    HA   ARG  55           HA       ARG  55  -9.052  -2.982   9.382
  421    HB2  ARG  55           HB2      ARG  55  -9.288  -4.954  10.886
  422    HB3  ARG  55           HB1      ARG  55 -10.018  -3.904  12.099
  423    HG2  ARG  55           HG2      ARG  55 -11.341  -3.459   9.593
  424    HG3  ARG  55           HG1      ARG  55 -11.304  -5.194   9.911
  425    HD2  ARG  55           HD2      ARG  55 -12.219  -3.116  11.920
  426    HD3  ARG  55           HD1      ARG  55 -13.306  -4.053  10.896
  427    HE   ARG  55           HE       ARG  55 -11.889  -5.046  13.250
  428   HH11  ARG  55          HH21      ARG  55 -13.355  -5.765  10.214
  429   HH12  ARG  55          HH22      ARG  55 -13.694  -7.415  10.617
  430   HH21  ARG  55          HH11      ARG  55 -12.325  -7.196  13.795
  431   HH22  ARG  55          HH12      ARG  55 -13.111  -8.224  12.645
  432    H    GLY  56           HN       GLY  56 -10.196  -2.068  12.634
  433    HA2  GLY  56           HA2      GLY  56 -11.969  -0.078  11.557
  434    HA3  GLY  56           HA1      GLY  56 -11.561  -0.264  13.261
  435    H    SER  57           HN       SER  57  -8.982   0.210  10.929
  436    HA   SER  57           HA       SER  57  -8.390   2.788  12.255
  437    HB2  SER  57           HB2      SER  57  -6.833   0.880  10.554
  438    HB3  SER  57           HB1      SER  57  -6.310   2.557  10.648
  439    HG   SER  57           HG       SER  57  -5.815   2.298  12.705
  440    H    LEU  58           HN       LEU  58 -10.062   1.749   9.552
  441    HA   LEU  58           HA       LEU  58  -9.714   4.415   8.248
  442    HB2  LEU  58           HB2      LEU  58 -10.403   2.007   6.613
  443    HB3  LEU  58           HB1      LEU  58  -9.637   3.511   6.116
  444    HG   LEU  58           HG       LEU  58  -8.321   1.390   7.845
  445   HD11  LEU  58          HD11      LEU  58  -7.161   0.671   5.927
  446   HD12  LEU  58          HD12      LEU  58  -7.586   2.119   5.016
  447   HD13  LEU  58          HD13      LEU  58  -8.812   0.896   5.345
  448   HD21  LEU  58          HD21      LEU  58  -6.413   3.050   6.642
  449   HD22  LEU  58          HD22      LEU  58  -6.886   3.072   8.339
  450   HD23  LEU  58          HD23      LEU  58  -7.667   4.158   7.191
  451    H    PHE  59           HN       PHE  59 -11.661   4.740   6.642
  452    HA   PHE  59           HA       PHE  59 -14.147   3.861   8.063
  453    HB2  PHE  59           HB2      PHE  59 -13.234   6.403   7.983
  454    HB3  PHE  59           HB1      PHE  59 -14.196   6.377   6.505
  455    HD1  PHE  59           HD2      PHE  59 -16.508   4.933   6.867
  456    HD2  PHE  59           HD1      PHE  59 -14.378   7.138   9.876
  457    HE1  PHE  59           HE2      PHE  59 -18.588   5.113   8.208
  458    HE2  PHE  59           HE1      PHE  59 -16.456   7.316  11.217
  459    HZ   PHE  59           HZ       PHE  59 -18.561   6.304  10.384
  460    H    MET  60           HN       MET  60 -15.084   2.355   6.756
  461    HA   MET  60           HA       MET  60 -14.767   2.332   3.879
  462    HB2  MET  60           HB2      MET  60 -16.702   0.857   5.682
  463    HB3  MET  60           HB1      MET  60 -16.488   0.530   3.962
  464    HG2  MET  60           HG2      MET  60 -14.630  -0.682   4.345
  465    HG3  MET  60           HG1      MET  60 -13.933   0.600   5.333
  466    HE1  MET  60           HE1      MET  60 -13.112  -2.169   6.246
  467    HE2  MET  60           HE2      MET  60 -13.390  -1.951   7.972
  468    HE3  MET  60           HE3      MET  60 -12.804  -0.601   7.004
  469    H    CYS  61           HN       CYS  61 -16.250   2.949   2.283
  470    HA   CYS  61           HA       CYS  61 -18.127   5.070   3.030
  471    HB2  CYS  61           HB2      CYS  61 -16.806   5.230   0.947
  472    HB3  CYS  61           HB1      CYS  61 -17.589   3.772   0.343
  473    H    SER  62           HN       SER  62 -20.380   4.959   2.929
  474    HA   SER  62           HA       SER  62 -21.533   2.208   2.670
  475    HB2  SER  62           HB2      SER  62 -21.708   3.647   4.861
  476    HB3  SER  62           HB1      SER  62 -22.962   4.508   3.972
  477    HG   SER  62           HG       SER  62 -23.532   2.544   5.291
  478    H    ILE  63           HN       ILE  63 -21.081   3.525   0.284
  479    HA   ILE  63           HA       ILE  63 -23.865   4.165  -0.576
  480    HB   ILE  63           HB       ILE  63 -21.414   5.703  -1.492
  481   HG12  ILE  63          HG12      ILE  63 -23.380   6.138   0.728
  482   HG13  ILE  63          HG11      ILE  63 -21.658   6.509   0.671
  483   HG21  ILE  63          HG21      ILE  63 -23.498   5.444  -3.009
  484   HG22  ILE  63          HG22      ILE  63 -22.927   7.078  -2.698
  485   HG23  ILE  63          HG23      ILE  63 -24.324   6.452  -1.825
  486   HD11  ILE  63          HD11      ILE  63 -23.950   8.059  -0.537
  487   HD12  ILE  63          HD12      ILE  63 -22.295   8.278  -1.106
  488   HD13  ILE  63          HD13      ILE  63 -22.704   8.627   0.572
  489    H    VAL  64           HN       VAL  64 -20.537   3.425  -1.673
  490    HA   VAL  64           HA       VAL  64 -21.542   1.299  -3.389
  491    HB   VAL  64           HB       VAL  64 -22.095   3.109  -4.875
  492   HG11  VAL  64          HG11      VAL  64 -20.862   4.925  -3.916
  493   HG12  VAL  64          HG12      VAL  64 -20.252   4.727  -5.559
  494   HG13  VAL  64          HG13      VAL  64 -19.322   4.112  -4.193
  495   HG21  VAL  64          HG21      VAL  64 -20.988   2.342  -6.752
  496   HG22  VAL  64          HG22      VAL  64 -20.536   1.066  -5.622
  497   HG23  VAL  64          HG23      VAL  64 -19.411   2.379  -5.967
  498    H    GLN  65           HN       GLN  65 -19.812  -0.011  -4.197
  499    HA   GLN  65           HA       GLN  65 -17.331   0.265  -2.665
  500    HB2  GLN  65           HB2      GLN  65 -18.190  -1.779  -4.735
  501    HB3  GLN  65           HB1      GLN  65 -16.728  -1.887  -3.753
  502    HG2  GLN  65           HG2      GLN  65 -18.111  -1.861  -1.701
  503    HG3  GLN  65           HG1      GLN  65 -19.568  -1.789  -2.693
  504   HE21  GLN  65          HE21      GLN  65 -17.055  -3.911  -1.485
  505   HE22  GLN  65          HE22      GLN  65 -17.660  -5.339  -2.172
  506    H    GLY  66           HN       GLY  66 -17.997   2.258  -4.802
  507    HA2  GLY  66           HA2      GLY  66 -15.846   1.726  -6.789
  508    HA3  GLY  66           HA1      GLY  66 -17.074   2.985  -6.921
  509    H    CYS  67           HN       CYS  67 -16.945   4.548  -4.862
  510    HA   CYS  67           HA       CYS  67 -14.659   6.118  -5.078
  511    HB2  CYS  67           HB2      CYS  67 -15.263   7.017  -2.810
  512    HB3  CYS  67           HB1      CYS  67 -16.624   6.939  -3.925
  513    H    LYS  68           HN       LYS  68 -12.941   6.474  -3.309
  514    HA   LYS  68           HA       LYS  68 -11.246   4.275  -3.078
  515    HB2  LYS  68           HB2      LYS  68 -11.295   6.177  -0.774
  516    HB3  LYS  68           HB1      LYS  68  -9.925   5.569  -1.697
  517    HG2  LYS  68           HG2      LYS  68 -10.844   6.926  -3.668
  518    HG3  LYS  68           HG1      LYS  68 -11.888   7.723  -2.490
  519    HD2  LYS  68           HD2      LYS  68  -9.722   8.140  -1.140
  520    HD3  LYS  68           HD1      LYS  68  -8.872   7.733  -2.630
  521    HE2  LYS  68           HE2      LYS  68 -10.011   9.522  -3.825
  522    HE3  LYS  68           HE1      LYS  68 -10.999   9.883  -2.410
  523    HZ1  LYS  68           HZ1      LYS  68  -9.311  10.928  -1.382
  524    HZ2  LYS  68           HZ2      LYS  68  -8.732  11.140  -2.966
  525    HZ3  LYS  68           HZ3      LYS  68  -8.125   9.883  -1.997
  526    H    ARG  69           HN       ARG  69 -14.208   4.707  -1.479
  527    HA   ARG  69           HA       ARG  69 -15.310   3.399   0.100
  528    HB2  ARG  69           HB2      ARG  69 -13.488   1.644  -1.208
  529    HB3  ARG  69           HB1      ARG  69 -13.473   1.257   0.514
  530    HG2  ARG  69           HG2      ARG  69 -15.955   1.176   0.488
  531    HG3  ARG  69           HG1      ARG  69 -15.925   1.481  -1.248
  532    HD2  ARG  69           HD2      ARG  69 -14.516  -0.859   0.061
  533    HD3  ARG  69           HD1      ARG  69 -16.133  -0.960  -0.634
  534    HE   ARG  69           HE       ARG  69 -14.653   0.076  -2.705
  535   HH11  ARG  69          HH21      ARG  69 -14.295  -2.580  -0.538
  536   HH12  ARG  69          HH22      ARG  69 -13.433  -3.563  -1.674
  537   HH21  ARG  69          HH11      ARG  69 -13.529  -1.190  -4.201
  538   HH22  ARG  69          HH12      ARG  69 -12.998  -2.775  -3.748
  539    H    THR  70           HN       THR  70 -11.876   2.792   0.906
  540    HA   THR  70           HA       THR  70 -12.525   3.466   3.711
  541    HB   THR  70           HB       THR  70 -10.044   2.765   3.997
  542    HG1  THR  70           HG1      THR  70 -10.369   1.160   1.805
  543   HG21  THR  70          HG21      THR  70 -12.302   0.912   3.226
  544   HG22  THR  70          HG22      THR  70 -11.795   1.387   4.846
  545   HG23  THR  70          HG23      THR  70 -10.770   0.329   3.878
  546    H    TYR  71           HN       TYR  71 -11.242   4.989   4.922
  547    HA   TYR  71           HA       TYR  71  -9.477   6.801   3.424
  548    HB2  TYR  71           HB2      TYR  71 -11.931   7.819   4.873
  549    HB3  TYR  71           HB1      TYR  71 -10.705   8.814   4.093
  550    HD1  TYR  71           HD2      TYR  71 -13.387   6.320   3.485
  551    HD2  TYR  71           HD1      TYR  71 -10.656   9.120   1.714
  552    HE1  TYR  71           HE2      TYR  71 -14.568   6.100   1.316
  553    HE2  TYR  71           HE1      TYR  71 -11.835   8.893  -0.456
  554    HH   TYR  71           HH       TYR  71 -14.208   6.430  -0.999
  555    H    LEU  72           HN       LEU  72  -8.736   8.584   5.129
  556    HA   LEU  72           HA       LEU  72  -8.028   7.078   7.589
  557    HB2  LEU  72           HB2      LEU  72  -6.639   9.613   7.158
  558    HB3  LEU  72           HB1      LEU  72  -5.975   8.002   7.426
  559    HG   LEU  72           HG       LEU  72  -7.029   9.078   4.792
  560   HD11  LEU  72          HD11      LEU  72  -4.892  10.036   5.171
  561   HD12  LEU  72          HD12      LEU  72  -4.571   8.623   4.166
  562   HD13  LEU  72          HD13      LEU  72  -4.270   8.557   5.903
  563   HD21  LEU  72          HD21      LEU  72  -7.286   6.900   4.235
  564   HD22  LEU  72          HD22      LEU  72  -6.609   6.373   5.777
  565   HD23  LEU  72          HD23      LEU  72  -5.542   6.716   4.416
  566    H    SER  73           HN       SER  73 -10.057   9.621   6.573
  567    HA   SER  73           HA       SER  73 -10.715  10.211   9.364
  568    HB2  SER  73           HB2      SER  73  -9.417  12.302   7.605
  569    HB3  SER  73           HB1      SER  73 -10.331  12.695   9.059
  570    HG   SER  73           HG       SER  73  -7.812  11.996   8.897
  571    H    GLN  74           HN       GLN  74 -12.810  10.884   9.544
  572    HA   GLN  74           HA       GLN  74 -14.715  10.567   7.582
  573    HB2  GLN  74           HB2      GLN  74 -14.740  12.647   9.780
  574    HB3  GLN  74           HB1      GLN  74 -16.160  12.103   8.883
  575    HG2  GLN  74           HG2      GLN  74 -14.409  10.054  10.187
  576    HG3  GLN  74           HG1      GLN  74 -15.531  10.974  11.188
  577   HE21  GLN  74          HE21      GLN  74 -15.473   9.034   8.156
  578   HE22  GLN  74          HE22      GLN  74 -17.050   8.436   8.332
  579    H    ARG  75           HN       ARG  75 -12.644  13.357   8.075
  580    HA   ARG  75           HA       ARG  75 -14.020  15.174   6.342
  581    HB2  ARG  75           HB2      ARG  75 -12.219  15.767   8.002
  582    HB3  ARG  75           HB1      ARG  75 -11.045  15.037   6.908
  583    HG2  ARG  75           HG2      ARG  75 -12.479  16.718   5.238
  584    HG3  ARG  75           HG1      ARG  75 -12.380  17.636   6.739
  585    HD2  ARG  75           HD2      ARG  75  -9.887  17.073   6.760
  586    HD3  ARG  75           HD1      ARG  75 -10.101  16.515   5.101
  587    HE   ARG  75           HE       ARG  75 -11.199  19.068   5.110
  588   HH11  ARG  75          HH21      ARG  75  -8.206  17.602   5.993
  589   HH12  ARG  75          HH22      ARG  75  -7.257  19.001   5.616
  590   HH21  ARG  75          HH11      ARG  75  -9.977  20.904   4.613
  591   HH22  ARG  75          HH12      ARG  75  -8.260  20.870   4.835
  592    H    ASP  76           HN       ASP  76 -11.693  12.622   5.752
  593    HA   ASP  76           HA       ASP  76 -11.339  13.410   2.945
  594    HB2  ASP  76           HB2      ASP  76 -10.320  11.083   4.596
  595    HB3  ASP  76           HB1      ASP  76 -10.011  11.234   2.866
  596    H    LEU  77           HN       LEU  77 -13.110  11.092   4.889
  597    HA   LEU  77           HA       LEU  77 -14.070   9.607   2.582
  598    HB2  LEU  77           HB2      LEU  77 -14.128   8.291   4.505
  599    HB3  LEU  77           HB1      LEU  77 -14.639   9.614   5.525
  600    HG   LEU  77           HG       LEU  77 -16.459   8.613   3.345
  601   HD11  LEU  77          HD11      LEU  77 -17.437   6.992   4.887
  602   HD12  LEU  77          HD12      LEU  77 -16.245   7.414   6.113
  603   HD13  LEU  77          HD13      LEU  77 -15.734   6.621   4.623
  604   HD21  LEU  77          HD21      LEU  77 -17.918  10.035   4.310
  605   HD22  LEU  77          HD22      LEU  77 -16.666  10.549   5.435
  606   HD23  LEU  77          HD23      LEU  77 -17.730   9.212   5.855
  607    H    GLN  78           HN       GLN  78 -15.115  12.277   4.595
  608    HA   GLN  78           HA       GLN  78 -17.748  12.409   3.391
  609    HB2  GLN  78           HB2      GLN  78 -17.136  13.427   5.640
  610    HB3  GLN  78           HB1      GLN  78 -16.246  14.663   4.750
  611    HG2  GLN  78           HG2      GLN  78 -18.371  15.637   5.098
  612    HG3  GLN  78           HG1      GLN  78 -18.453  15.025   3.445
  613   HE21  GLN  78          HE21      GLN  78 -20.139  13.582   2.989
  614   HE22  GLN  78          HE22      GLN  78 -21.096  12.818   4.164
  615    H    ALA  79           HN       ALA  79 -14.591  13.740   2.830
  616    HA   ALA  79           HA       ALA  79 -15.443  15.547   0.729
  617    HB1  ALA  79           HB1      ALA  79 -12.721  14.301   1.266
  618    HB2  ALA  79           HB2      ALA  79 -13.283  15.836   1.928
  619    HB3  ALA  79           HB3      ALA  79 -13.032  15.665   0.190
  620    H    HIS  80           HN       HIS  80 -14.912  12.123   1.030
  621    HA   HIS  80           HA       HIS  80 -14.427  11.776  -1.827
  622    HB2  HIS  80           HB2      HIS  80 -13.990   9.627  -1.320
  623    HB3  HIS  80           HB1      HIS  80 -14.013  10.184   0.345
  624    HD1  HIS  80           HD1      HIS  80 -15.466   8.793   1.793
  625    HD2  HIS  80           HD2      HIS  80 -16.901   8.916  -2.110
  626    HE1  HIS  80           HE1      HIS  80 -17.507   7.298   1.733
  627    H    ILE  81           HN       ILE  81 -17.194  11.586   0.331
  628    HA   ILE  81           HA       ILE  81 -19.112  10.586  -1.482
  629    HB   ILE  81           HB       ILE  81 -19.851  12.805   0.410
  630   HG12  ILE  81          HG12      ILE  81 -18.296  11.140   1.540
  631   HG13  ILE  81          HG11      ILE  81 -19.832  11.431   2.315
  632   HG21  ILE  81          HG21      ILE  81 -21.210  10.287  -0.570
  633   HG22  ILE  81          HG22      ILE  81 -21.676  11.959  -0.860
  634   HG23  ILE  81          HG23      ILE  81 -21.842  11.268   0.750
  635   HD11  ILE  81          HD11      ILE  81 -20.731   9.379   1.565
  636   HD12  ILE  81          HD12      ILE  81 -19.098   8.978   2.082
  637   HD13  ILE  81          HD13      ILE  81 -19.459   9.162   0.365
  638    H    ASN  82           HN       ASN  82 -18.385  13.959  -0.636
  639    HA   ASN  82           HA       ASN  82 -20.063  15.054  -2.689
  640    HB2  ASN  82           HB2      ASN  82 -17.666  16.543  -1.682
  641    HB3  ASN  82           HB1      ASN  82 -19.305  17.128  -1.973
  642   HD21  ASN  82          HD21      ASN  82 -17.352  16.857   0.546
  643   HD22  ASN  82          HD22      ASN  82 -18.414  16.312   1.751
  644    H    HIS  83           HN       HIS  83 -16.796  13.826  -2.670
  645    HA   HIS  83           HA       HIS  83 -16.226  15.142  -5.231
  646    HB2  HIS  83           HB2      HIS  83 -14.595  13.260  -3.543
  647    HB3  HIS  83           HB1      HIS  83 -14.044  13.907  -5.082
  648    HD1  HIS  83           HD1      HIS  83 -12.192  14.920  -3.209
  649    HD2  HIS  83           HD2      HIS  83 -15.974  16.671  -3.386
  650    HE1  HIS  83           HE1      HIS  83 -11.979  17.200  -2.122
  651    HE2  HIS  83           HE2      HIS  83 -14.275  18.273  -2.225
  652    H    ARG  84           HN       ARG  84 -17.737  12.219  -4.303
  653    HA   ARG  84           HA       ARG  84 -17.046  11.007  -6.935
  654    HB2  ARG  84           HB2      ARG  84 -17.794   9.671  -4.344
  655    HB3  ARG  84           HB1      ARG  84 -17.494   8.821  -5.860
  656    HG2  ARG  84           HG2      ARG  84 -15.494  10.682  -4.538
  657    HG3  ARG  84           HG1      ARG  84 -15.485   8.934  -4.322
  658    HD2  ARG  84           HD2      ARG  84 -15.597   9.186  -7.076
  659    HD3  ARG  84           HD1      ARG  84 -14.574  10.541  -6.609
  660    HE   ARG  84           HE       ARG  84 -13.921   7.689  -6.298
  661   HH11  ARG  84          HH21      ARG  84 -13.295  10.979  -5.449
  662   HH12  ARG  84          HH22      ARG  84 -11.649  10.683  -5.001
  663   HH21  ARG  84          HH11      ARG  84 -11.781   7.294  -5.718
  664   HH22  ARG  84          HH12      ARG  84 -10.793   8.599  -5.155
  665    H    HIS  85           HN       HIS  85 -19.780  11.164  -4.636
  666    HA   HIS  85           HA       HIS  85 -21.580  11.039  -7.001
  667    HB2  HIS  85           HB2      HIS  85 -22.964   9.602  -5.095
  668    HB3  HIS  85           HB1      HIS  85 -22.082   8.902  -6.451
  669    HD1  HIS  85           HD1      HIS  85 -20.567   7.087  -5.676
  670    HD2  HIS  85           HD2      HIS  85 -20.843  10.151  -2.866
  671    HE1  HIS  85           HE1      HIS  85 -19.064   6.421  -3.747
  672    H    MET  86           HN       MET  86 -20.919  12.128  -3.806
  673    HA   MET  86           HA       MET  86 -21.972  13.661  -2.421
  674    HB2  MET  86           HB2      MET  86 -22.185  15.628  -3.502
  675    HB3  MET  86           HB1      MET  86 -21.724  14.730  -4.936
  676    HG2  MET  86           HG2      MET  86 -23.629  15.713  -5.741
  677    HG3  MET  86           HG1      MET  86 -24.400  14.307  -5.035
  678    HE1  MET  86           HE1      MET  86 -22.932  17.642  -4.451
  679    HE2  MET  86           HE2      MET  86 -24.017  18.535  -3.387
  680    HE3  MET  86           HE3      MET  86 -24.479  18.244  -5.062
  681    H    ARG  87           HN       ARG  87 -23.367  11.132  -3.160
  682    HA   ARG  87           HA       ARG  87 -26.209  11.913  -2.911
  683    HB2  ARG  87           HB2      ARG  87 -25.415  10.054  -4.470
  684    HB3  ARG  87           HB1      ARG  87 -25.085   9.108  -3.018
  685    HG2  ARG  87           HG2      ARG  87 -27.554   9.785  -2.380
  686    HG3  ARG  87           HG1      ARG  87 -27.719  10.032  -4.118
  687    HD2  ARG  87           HD2      ARG  87 -26.933   7.732  -4.528
  688    HD3  ARG  87           HD1      ARG  87 -26.756   7.480  -2.792
  689    HE   ARG  87           HE       ARG  87 -29.279   7.500  -4.278
  690   HH11  ARG  87          HH21      ARG  87 -27.645   7.890  -1.267
  691   HH12  ARG  87          HH22      ARG  87 -29.042   7.521  -0.310
  692   HH21  ARG  87          HH11      ARG  87 -31.112   7.017  -3.046
  693   HH22  ARG  87          HH12      ARG  87 -31.003   7.027  -1.317
  694    H    ALA  88           HN       ALA  88 -27.435  11.450  -1.055
  695    HA   ALA  88           HA       ALA  88 -26.761   9.772   1.084
  696    HB1  ALA  88           HB1      ALA  88 -26.008  11.830   2.641
  697    HB2  ALA  88           HB2      ALA  88 -25.331  12.387   1.110
  698    HB3  ALA  88           HB3      ALA  88 -24.839  10.830   1.777
  699    H    GLY  89           HN       GLY  89 -27.800  10.736   3.259
  700    HA2  GLY  89           HA2      GLY  89 -30.526  11.447   2.550
  701    HA3  GLY  89           HA1      GLY  89 -29.899  11.269   4.190
  Start of MODEL   16
    1    H1   VAL   1           HT1      VAL   1 -16.791  -6.508   2.234
    2    H2   VAL   1           HT2      VAL   1 -15.595  -5.704   1.335
    3    H3   VAL   1           HT3      VAL   1 -17.019  -4.891   1.777
    4    HA   VAL   1           HA       VAL   1 -14.830  -4.507   3.104
    5    HB   VAL   1           HB       VAL   1 -16.318  -4.301   5.202
    6   HG11  VAL   1          HG11      VAL   1 -15.898  -2.466   3.583
    7   HG12  VAL   1          HG12      VAL   1 -17.539  -2.406   4.228
    8   HG13  VAL   1          HG13      VAL   1 -17.251  -3.037   2.607
    9   HG21  VAL   1          HG21      VAL   1 -18.444  -5.107   5.164
   10   HG22  VAL   1          HG22      VAL   1 -17.882  -6.116   3.830
   11   HG23  VAL   1          HG23      VAL   1 -18.701  -4.590   3.498
   12    H    HIS   2           HN       HIS   2 -13.567  -5.399   4.744
   13    HA   HIS   2           HA       HIS   2 -12.603  -7.026   6.091
   14    HB2  HIS   2           HB2      HIS   2 -15.078  -8.664   6.089
   15    HB3  HIS   2           HB1      HIS   2 -14.007  -8.242   7.423
   16    HD1  HIS   2           HD1      HIS   2 -14.187  -5.659   8.254
   17    HD2  HIS   2           HD2      HIS   2 -17.323  -7.069   5.894
   18    HE1  HIS   2           HE1      HIS   2 -16.112  -4.040   8.579
   19    HE2  HIS   2           HE2      HIS   2 -18.028  -4.890   7.150
   20    H    PHE   3           HN       PHE   3 -14.846  -8.543   3.785
   21    HA   PHE   3           HA       PHE   3 -13.171 -10.860   3.372
   22    HB2  PHE   3           HB2      PHE   3 -15.126 -10.042   1.282
   23    HB3  PHE   3           HB1      PHE   3 -14.858 -11.625   2.013
   24    HD1  PHE   3           HD2      PHE   3 -15.021 -11.026   4.889
   25    HD2  PHE   3           HD1      PHE   3 -17.410  -9.571   1.629
   26    HE1  PHE   3           HE2      PHE   3 -16.907 -10.626   6.449
   27    HE2  PHE   3           HE1      PHE   3 -19.295  -9.171   3.189
   28    HZ   PHE   3           HZ       PHE   3 -19.044  -9.699   5.599
   29    H    CYS   4           HN       CYS   4 -11.294 -10.855   2.251
   30    HA   CYS   4           HA       CYS   4 -10.149  -8.769   0.825
   31    HB2  CYS   4           HB2      CYS   4  -8.804 -10.681   1.317
   32    HB3  CYS   4           HB1      CYS   4  -9.907 -11.764   0.471
   33    H    ASP   5           HN       ASP   5 -10.192  -8.101  -1.361
   34    HA   ASP   5           HA       ASP   5 -12.680  -8.750  -2.766
   35    HB2  ASP   5           HB2      ASP   5 -10.843  -6.556  -2.708
   36    HB3  ASP   5           HB1      ASP   5 -10.977  -7.127  -4.371
   37    H    LYS   6           HN       LYS   6  -9.341  -9.714  -2.915
   38    HA   LYS   6           HA       LYS   6  -9.642 -10.717  -5.665
   39    HB2  LYS   6           HB2      LYS   6  -7.496  -9.678  -4.791
   40    HB3  LYS   6           HB1      LYS   6  -7.296 -11.119  -3.797
   41    HG2  LYS   6           HG2      LYS   6  -7.873 -11.798  -6.585
   42    HG3  LYS   6           HG1      LYS   6  -6.422 -10.812  -6.430
   43    HD2  LYS   6           HD2      LYS   6  -6.944 -13.270  -4.745
   44    HD3  LYS   6           HD1      LYS   6  -6.036 -13.307  -6.255
   45    HE2  LYS   6           HE2      LYS   6  -5.082 -11.168  -4.543
   46    HE3  LYS   6           HE1      LYS   6  -5.025 -12.717  -3.701
   47    HZ1  LYS   6           HZ1      LYS   6  -4.143 -13.173  -6.289
   48    HZ2  LYS   6           HZ2      LYS   6  -3.222 -13.198  -4.863
   49    HZ3  LYS   6           HZ3      LYS   6  -3.356 -11.766  -5.766
   50    H    CYS   7           HN       CYS   7  -9.301 -12.030  -2.377
   51    HA   CYS   7           HA       CYS   7  -9.756 -14.750  -3.474
   52    HB2  CYS   7           HB2      CYS   7  -8.955 -14.127  -0.643
   53    HB3  CYS   7           HB1      CYS   7  -8.730 -15.627  -1.541
   54    H    GLY   8           HN       GLY   8 -11.357 -12.274  -1.662
   55    HA2  GLY   8           HA2      GLY   8 -13.578 -12.277  -0.864
   56    HA3  GLY   8           HA1      GLY   8 -13.746 -13.918  -1.486
   57    H    LEU   9           HN       LEU   9 -10.999 -13.830   0.412
   58    HA   LEU   9           HA       LEU   9 -12.392 -15.244   2.589
   59    HB2  LEU   9           HB2      LEU   9  -9.607 -14.974   1.621
   60    HB3  LEU   9           HB1      LEU   9  -9.774 -15.124   3.369
   61    HG   LEU   9           HG       LEU   9 -11.129 -17.163   3.071
   62   HD11  LEU   9          HD11      LEU   9 -10.736 -17.959   0.463
   63   HD12  LEU   9          HD12      LEU   9 -11.063 -16.235   0.280
   64   HD13  LEU   9          HD13      LEU   9 -12.235 -17.273   1.093
   65   HD21  LEU   9          HD21      LEU   9  -9.066 -18.190   1.440
   66   HD22  LEU   9          HD22      LEU   9  -9.116 -18.170   3.203
   67   HD23  LEU   9          HD23      LEU   9  -8.351 -16.843   2.327
   68    HA   PRO  10           HA       PRO  10 -12.570 -11.819   5.362
   69    HB2  PRO  10           HB2      PRO  10 -11.884 -12.947   7.766
   70    HB3  PRO  10           HB1      PRO  10 -13.473 -13.109   6.997
   71    HG2  PRO  10           HG2      PRO  10 -11.208 -15.031   7.080
   72    HG3  PRO  10           HG1      PRO  10 -12.953 -15.333   7.138
   73    HD2  PRO  10           HD2      PRO  10 -11.451 -15.715   4.881
   74    HD3  PRO  10           HD1      PRO  10 -13.175 -15.286   4.836
   75    H    ILE  11           HN       ILE  11 -11.079 -10.272   5.124
   76    HA   ILE  11           HA       ILE  11  -8.247 -10.577   5.193
   77    HB   ILE  11           HB       ILE  11  -9.994  -8.142   5.636
   78   HG12  ILE  11          HG12      ILE  11  -8.452  -8.889   3.147
   79   HG13  ILE  11          HG11      ILE  11 -10.074  -9.506   3.421
   80   HG21  ILE  11          HG21      ILE  11  -7.641  -7.243   4.581
   81   HG22  ILE  11          HG22      ILE  11  -7.079  -8.554   5.621
   82   HG23  ILE  11          HG23      ILE  11  -8.022  -7.230   6.304
   83   HD11  ILE  11          HD11      ILE  11 -11.032  -7.504   2.950
   84   HD12  ILE  11          HD12      ILE  11  -9.472  -7.070   2.255
   85   HD13  ILE  11          HD13      ILE  11  -9.850  -6.619   3.912
   86    H    LYS  12           HN       LYS  12  -6.917 -10.856   6.890
   87    HA   LYS  12           HA       LYS  12  -7.950 -10.443   9.632
   88    HB2  LYS  12           HB2      LYS  12  -5.226 -11.464   8.774
   89    HB3  LYS  12           HB1      LYS  12  -5.974 -11.630  10.362
   90    HG2  LYS  12           HG2      LYS  12  -7.777 -13.001   9.354
   91    HG3  LYS  12           HG1      LYS  12  -6.986 -12.867   7.784
   92    HD2  LYS  12           HD2      LYS  12  -4.996 -13.707   9.619
   93    HD3  LYS  12           HD1      LYS  12  -6.419 -14.704   9.927
   94    HE2  LYS  12           HE2      LYS  12  -5.170 -14.250   7.200
   95    HE3  LYS  12           HE1      LYS  12  -4.961 -15.700   8.183
   96    HZ1  LYS  12           HZ1      LYS  12  -6.888 -16.476   7.459
   97    HZ2  LYS  12           HZ2      LYS  12  -7.012 -15.149   6.404
   98    HZ3  LYS  12           HZ3      LYS  12  -7.705 -15.074   7.954
   99    H    VAL  13           HN       VAL  13  -5.712  -9.071   7.327
  100    HA   VAL  13           HA       VAL  13  -5.204  -6.817   9.212
  101    HB   VAL  13           HB       VAL  13  -3.096  -7.589   7.271
  102   HG11  VAL  13          HG11      VAL  13  -2.990  -5.552   8.731
  103   HG12  VAL  13          HG12      VAL  13  -1.639  -6.659   8.979
  104   HG13  VAL  13          HG13      VAL  13  -2.970  -6.617  10.137
  105   HG21  VAL  13          HG21      VAL  13  -3.751  -9.086   9.810
  106   HG22  VAL  13          HG22      VAL  13  -2.121  -9.070   9.138
  107   HG23  VAL  13          HG23      VAL  13  -3.453  -9.749   8.202
  108    H    TYR  14           HN       TYR  14  -5.168  -4.771   8.151
  109    HA   TYR  14           HA       TYR  14  -6.477  -4.803   5.536
  110    HB2  TYR  14           HB2      TYR  14  -5.807  -2.732   7.566
  111    HB3  TYR  14           HB1      TYR  14  -6.125  -2.218   5.914
  112    HD1  TYR  14           HD1      TYR  14  -7.721  -5.214   7.466
  113    HD2  TYR  14           HD2      TYR  14  -8.210  -1.085   6.375
  114    HE1  TYR  14           HE1      TYR  14 -10.155  -5.398   7.844
  115    HE2  TYR  14           HE2      TYR  14 -10.647  -1.274   6.757
  116    HH   TYR  14           HH       TYR  14 -12.077  -3.398   8.480
  117    H    GLY  15           HN       GLY  15  -5.067  -5.425   3.991
  118    HA2  GLY  15           HA2      GLY  15  -2.365  -4.343   3.788
  119    HA3  GLY  15           HA1      GLY  15  -3.147  -5.394   2.603
  120    H    ARG  16           HN       ARG  16  -2.572  -2.148   3.576
  121    HA   ARG  16           HA       ARG  16  -4.465  -0.963   1.678
  122    HB2  ARG  16           HB2      ARG  16  -3.854   0.144   3.827
  123    HB3  ARG  16           HB1      ARG  16  -2.204   0.320   3.246
  124    HG2  ARG  16           HG2      ARG  16  -3.352   2.414   2.877
  125    HG3  ARG  16           HG1      ARG  16  -3.084   1.664   1.310
  126    HD2  ARG  16           HD2      ARG  16  -5.306   1.492   0.911
  127    HD3  ARG  16           HD1      ARG  16  -5.627   0.840   2.517
  128    HE   ARG  16           HE       ARG  16  -5.071   3.623   2.768
  129   HH11  ARG  16          HH21      ARG  16  -7.376   1.409   1.475
  130   HH12  ARG  16          HH22      ARG  16  -8.724   2.473   1.701
  131   HH21  ARG  16          HH11      ARG  16  -6.817   5.020   3.078
  132   HH22  ARG  16          HH12      ARG  16  -8.405   4.518   2.610
  133    H    MET  17           HN       MET  17  -4.009   0.040  -0.246
  134    HA   MET  17           HA       MET  17  -1.231  -0.210  -1.301
  135    HB2  MET  17           HB2      MET  17  -3.538  -0.546  -3.165
  136    HB3  MET  17           HB1      MET  17  -1.928  -1.258  -3.239
  137    HG2  MET  17           HG2      MET  17  -2.572  -2.639  -1.201
  138    HG3  MET  17           HG1      MET  17  -4.217  -2.056  -1.430
  139    HE1  MET  17           HE1      MET  17  -1.635  -3.534  -4.602
  140    HE2  MET  17           HE2      MET  17  -1.665  -4.959  -3.571
  141    HE3  MET  17           HE3      MET  17  -1.186  -3.408  -2.898
  142    H    ILE  18           HN       ILE  18  -0.508   1.661  -2.195
  143    HA   ILE  18           HA       ILE  18  -2.493   3.801  -2.807
  144    HB   ILE  18           HB       ILE  18  -0.141   5.145  -2.595
  145   HG12  ILE  18          HG12      ILE  18   0.047   2.892  -0.590
  146   HG13  ILE  18          HG11      ILE  18   1.051   3.061  -2.034
  147   HG21  ILE  18          HG21      ILE  18  -2.264   5.619  -1.368
  148   HG22  ILE  18          HG22      ILE  18  -0.859   5.739  -0.311
  149   HG23  ILE  18          HG23      ILE  18  -1.887   4.307  -0.252
  150   HD11  ILE  18          HD11      ILE  18   1.089   5.551  -0.642
  151   HD12  ILE  18          HD12      ILE  18   2.431   4.442  -0.927
  152   HD13  ILE  18          HD13      ILE  18   1.438   4.271   0.520
  153    HA   PRO  19           HA       PRO  19  -2.022   5.917  -3.672
  154    HB2  PRO  19           HB2      PRO  19  -2.856   7.246  -5.870
  155    HB3  PRO  19           HB1      PRO  19  -1.171   7.311  -5.315
  156    HG2  PRO  19           HG2      PRO  19  -2.368   5.791  -7.562
  157    HG3  PRO  19           HG1      PRO  19  -0.771   6.543  -7.426
  158    HD2  PRO  19           HD2      PRO  19  -1.312   3.815  -7.076
  159    HD3  PRO  19           HD1      PRO  19   0.159   4.651  -6.542
  160    H    CYS  20           HN       CYS  20  -3.217   3.340  -5.415
  161    HA   CYS  20           HA       CYS  20  -5.872   3.985  -6.059
  162    HB2  CYS  20           HB2      CYS  20  -4.652   1.756  -6.395
  163    HB3  CYS  20           HB1      CYS  20  -5.061   1.395  -4.719
  164    H    LYS  21           HN       LYS  21  -4.399   3.293  -2.935
  165    HA   LYS  21           HA       LYS  21  -5.172   3.757  -0.773
  166    HB2  LYS  21           HB2      LYS  21  -6.395   5.698  -2.357
  167    HB3  LYS  21           HB1      LYS  21  -7.751   4.934  -1.525
  168    HG2  LYS  21           HG2      LYS  21  -6.606   5.268   0.637
  169    HG3  LYS  21           HG1      LYS  21  -5.261   6.043  -0.199
  170    HD2  LYS  21           HD2      LYS  21  -7.819   7.209  -0.966
  171    HD3  LYS  21           HD1      LYS  21  -7.544   7.319   0.772
  172    HE2  LYS  21           HE2      LYS  21  -5.514   8.155  -1.314
  173    HE3  LYS  21           HE1      LYS  21  -6.619   9.270  -0.511
  174    HZ1  LYS  21           HZ1      LYS  21  -4.214   8.062   0.472
  175    HZ2  LYS  21           HZ2      LYS  21  -5.523   7.856   1.535
  176    HZ3  LYS  21           HZ3      LYS  21  -5.057   9.416   1.048
  177    H    HIS  22           HN       HIS  22  -5.830   1.388  -2.373
  178    HA   HIS  22           HA       HIS  22  -8.523   0.664  -1.346
  179    HB2  HIS  22           HB2      HIS  22  -6.688  -0.534  -3.413
  180    HB3  HIS  22           HB1      HIS  22  -8.060  -1.437  -2.769
  181    HD2  HIS  22           HD2      HIS  22  -9.081   2.215  -2.997
  182    HE1  HIS  22           HE1      HIS  22 -10.296   0.474  -6.647
  183    HE2  HIS  22           HE2      HIS  22 -10.508   2.516  -5.158
  184    H    VAL  23           HN       VAL  23  -8.716  -1.601  -0.414
  185    HA   VAL  23           HA       VAL  23  -6.275  -2.289   1.162
  186    HB   VAL  23           HB       VAL  23  -8.853  -3.097   2.293
  187   HG11  VAL  23          HG11      VAL  23  -7.760  -2.677   4.327
  188   HG12  VAL  23          HG12      VAL  23  -6.641  -1.524   3.598
  189   HG13  VAL  23          HG13      VAL  23  -6.469  -3.252   3.275
  190   HG21  VAL  23          HG21      VAL  23  -9.239  -0.788   3.231
  191   HG22  VAL  23          HG22      VAL  23  -9.548  -0.916   1.500
  192   HG23  VAL  23          HG23      VAL  23  -8.052  -0.182   2.078
  193    H    PHE  24           HN       PHE  24  -6.183  -4.526   1.862
  194    HA   PHE  24           HA       PHE  24  -7.886  -6.538   0.626
  195    HB2  PHE  24           HB2      PHE  24  -5.009  -6.261  -0.307
  196    HB3  PHE  24           HB1      PHE  24  -6.066  -7.622  -0.671
  197    HD1  PHE  24           HD1      PHE  24  -5.386  -4.073  -1.295
  198    HD2  PHE  24           HD2      PHE  24  -7.894  -7.413  -2.264
  199    HE1  PHE  24           HE1      PHE  24  -6.252  -2.840  -3.254
  200    HE2  PHE  24           HE2      PHE  24  -8.771  -6.185  -4.226
  201    HZ   PHE  24           HZ       PHE  24  -7.947  -3.901  -4.737
  202    H    CYS  25           HN       CYS  25  -6.121  -8.675   0.811
  203    HA   CYS  25           HA       CYS  25  -5.727  -8.831   3.730
  204    HB2  CYS  25           HB2      CYS  25  -4.676 -11.150   2.629
  205    HB3  CYS  25           HB1      CYS  25  -6.343 -10.958   3.176
  206    H    TYR  26           HN       TYR  26  -3.834  -7.947   4.498
  207    HA   TYR  26           HA       TYR  26  -1.657  -7.120   2.980
  208    HB2  TYR  26           HB2      TYR  26  -2.021  -6.634   5.417
  209    HB3  TYR  26           HB1      TYR  26  -1.447  -8.261   5.773
  210    HD1  TYR  26           HD1      TYR  26  -0.334  -5.360   3.600
  211    HD2  TYR  26           HD2      TYR  26   0.758  -8.394   6.441
  212    HE1  TYR  26           HE1      TYR  26   2.013  -4.581   3.536
  213    HE2  TYR  26           HE2      TYR  26   3.107  -7.612   6.372
  214    HH   TYR  26           HH       TYR  26   4.053  -4.820   4.368
  215    H    ASP  27           HN       ASP  27  -2.623 -10.329   3.560
  216    HA   ASP  27           HA       ASP  27   0.027 -11.505   3.185
  217    HB2  ASP  27           HB2      ASP  27  -2.747 -12.732   3.082
  218    HB3  ASP  27           HB1      ASP  27  -1.243 -13.650   2.995
  219    H    CYS  28           HN       CYS  28  -2.887 -10.971   1.239
  220    HA   CYS  28           HA       CYS  28  -1.557 -12.013  -1.156
  221    HB2  CYS  28           HB2      CYS  28  -4.169 -10.482  -0.968
  222    HB3  CYS  28           HB1      CYS  28  -3.617 -11.460  -2.324
  223    H    ALA  29           HN       ALA  29  -1.995  -9.013   0.495
  224    HA   ALA  29           HA       ALA  29  -1.489  -7.292  -1.756
  225    HB1  ALA  29           HB1      ALA  29  -0.669  -6.424   0.974
  226    HB2  ALA  29           HB2      ALA  29  -2.372  -6.831   0.762
  227    HB3  ALA  29           HB3      ALA  29  -1.637  -5.571  -0.229
  228    H    ILE  30           HN       ILE  30   0.533  -8.936   0.664
  229    HA   ILE  30           HA       ILE  30   2.948  -7.666  -0.317
  230    HB   ILE  30           HB       ILE  30   4.146  -9.216   1.112
  231   HG12  ILE  30          HG12      ILE  30   1.502 -10.527   1.727
  232   HG13  ILE  30          HG11      ILE  30   2.673 -11.234   0.625
  233   HG21  ILE  30          HG21      ILE  30   1.829  -7.656   2.005
  234   HG22  ILE  30          HG22      ILE  30   3.499  -7.612   2.553
  235   HG23  ILE  30          HG23      ILE  30   2.400  -8.837   3.178
  236   HD11  ILE  30          HD11      ILE  30   3.111 -10.605   3.551
  237   HD12  ILE  30          HD12      ILE  30   4.368 -11.175   2.453
  238   HD13  ILE  30          HD13      ILE  30   2.989 -12.208   2.826
  239    H    LEU  31           HN       LEU  31   1.218 -10.705  -0.933
  240    HA   LEU  31           HA       LEU  31   3.218 -11.958  -2.521
  241    HB2  LEU  31           HB2      LEU  31   0.213 -11.969  -2.618
  242    HB3  LEU  31           HB1      LEU  31   1.121 -12.755  -3.907
  243    HG   LEU  31           HG       LEU  31   1.831 -13.338  -1.046
  244   HD11  LEU  31          HD11      LEU  31   0.198 -15.412  -1.610
  245   HD12  LEU  31          HD12      LEU  31  -0.653 -14.135  -2.478
  246   HD13  LEU  31          HD13      LEU  31  -0.351 -13.977  -0.746
  247   HD21  LEU  31          HD21      LEU  31   1.722 -15.374  -3.221
  248   HD22  LEU  31          HD22      LEU  31   2.922 -15.152  -1.948
  249   HD23  LEU  31          HD23      LEU  31   2.948 -14.116  -3.374
  250    H    HIS  32           HN       HIS  32   0.915  -9.388  -3.249
  251    HA   HIS  32           HA       HIS  32   1.582  -9.151  -6.034
  252    HB2  HIS  32           HB2      HIS  32   0.140  -7.500  -4.020
  253    HB3  HIS  32           HB1      HIS  32   0.736  -6.670  -5.458
  254    HD1  HIS  32           HD1      HIS  32  -0.158  -7.525  -7.790
  255    HD2  HIS  32           HD2      HIS  32  -2.018  -9.255  -4.482
  256    HE1  HIS  32           HE1      HIS  32  -2.234  -8.688  -8.662
  257    HE2  HIS  32           HE2      HIS  32  -3.375  -9.743  -6.657
  258    H    GLU  33           HN       GLU  33   2.809  -7.552  -3.095
  259    HA   GLU  33           HA       GLU  33   4.567  -5.758  -4.449
  260    HB2  GLU  33           HB2      GLU  33   5.169  -5.107  -2.368
  261    HB3  GLU  33           HB1      GLU  33   3.928  -6.214  -1.809
  262    HG2  GLU  33           HG2      GLU  33   5.688  -8.029  -1.739
  263    HG3  GLU  33           HG1      GLU  33   6.892  -6.784  -2.082
  264    H    LYS  34           HN       LYS  34   4.885  -9.133  -3.525
  265    HA   LYS  34           HA       LYS  34   7.708  -9.262  -4.248
  266    HB2  LYS  34           HB2      LYS  34   5.596 -11.225  -3.436
  267    HB3  LYS  34           HB1      LYS  34   7.033 -11.834  -4.260
  268    HG2  LYS  34           HG2      LYS  34   8.453 -11.219  -2.539
  269    HG3  LYS  34           HG1      LYS  34   7.410  -9.901  -2.008
  270    HD2  LYS  34           HD2      LYS  34   5.836 -11.456  -1.028
  271    HD3  LYS  34           HD1      LYS  34   6.705 -12.832  -1.708
  272    HE2  LYS  34           HE2      LYS  34   8.074 -10.885   0.145
  273    HE3  LYS  34           HE1      LYS  34   7.149 -12.248   0.774
  274    HZ1  LYS  34           HZ1      LYS  34   8.539 -13.770  -0.350
  275    HZ2  LYS  34           HZ2      LYS  34   9.575 -12.667   0.423
  276    HZ3  LYS  34           HZ3      LYS  34   9.295 -12.545  -1.248
  277    H    LYS  35           HN       LYS  35   4.682  -9.437  -5.924
  278    HA   LYS  35           HA       LYS  35   5.769 -10.896  -8.204
  279    HB2  LYS  35           HB2      LYS  35   3.161  -9.479  -7.704
  280    HB3  LYS  35           HB1      LYS  35   3.563 -10.161  -9.278
  281    HG2  LYS  35           HG2      LYS  35   3.628 -12.365  -8.447
  282    HG3  LYS  35           HG1      LYS  35   3.789 -11.825  -6.776
  283    HD2  LYS  35           HD2      LYS  35   1.543 -11.501  -6.527
  284    HD3  LYS  35           HD1      LYS  35   1.346 -10.907  -8.176
  285    HE2  LYS  35           HE2      LYS  35   1.273 -13.098  -9.077
  286    HE3  LYS  35           HE1      LYS  35   1.933 -13.813  -7.607
  287    HZ1  LYS  35           HZ1      LYS  35  -0.690 -13.669  -8.217
  288    HZ2  LYS  35           HZ2      LYS  35  -0.498 -12.328  -7.193
  289    HZ3  LYS  35           HZ3      LYS  35  -0.068 -13.881  -6.654
  290    H    GLY  36           HN       GLY  36   5.271  -7.542  -7.312
  291    HA2  GLY  36           HA2      GLY  36   7.196  -6.515  -9.099
  292    HA3  GLY  36           HA1      GLY  36   5.640  -6.417  -9.928
  293    H    ASP  37           HN       ASP  37   4.262  -6.085  -7.276
  294    HA   ASP  37           HA       ASP  37   3.557  -4.295  -5.921
  295    HB2  ASP  37           HB2      ASP  37   6.189  -4.458  -5.471
  296    HB3  ASP  37           HB1      ASP  37   6.176  -2.893  -6.278
  297    H    LYS  38           HN       LYS  38   2.706  -4.063  -8.508
  298    HA   LYS  38           HA       LYS  38   2.643  -1.146  -8.828
  299    HB2  LYS  38           HB2      LYS  38   3.284  -1.314 -11.229
  300    HB3  LYS  38           HB1      LYS  38   4.596  -1.648 -10.099
  301    HG2  LYS  38           HG2      LYS  38   4.326  -4.039 -10.396
  302    HG3  LYS  38           HG1      LYS  38   2.890  -3.793 -11.389
  303    HD2  LYS  38           HD2      LYS  38   5.400  -2.426 -12.244
  304    HD3  LYS  38           HD1      LYS  38   5.300  -4.170 -12.485
  305    HE2  LYS  38           HE2      LYS  38   2.986  -2.449 -13.311
  306    HE3  LYS  38           HE1      LYS  38   4.408  -2.533 -14.350
  307    HZ1  LYS  38           HZ1      LYS  38   2.542  -4.229 -14.702
  308    HZ2  LYS  38           HZ2      LYS  38   3.149  -4.989 -13.309
  309    HZ3  LYS  38           HZ3      LYS  38   4.140  -4.796 -14.676
  310    H    MET  39           HN       MET  39   0.940  -3.893  -8.680
  311    HA   MET  39           HA       MET  39  -1.193  -2.766 -10.391
  312    HB2  MET  39           HB2      MET  39  -1.654  -4.882 -11.476
  313    HB3  MET  39           HB1      MET  39   0.041  -4.473 -11.746
  314    HG2  MET  39           HG2      MET  39   0.346  -5.851  -9.478
  315    HG3  MET  39           HG1      MET  39  -1.143  -6.614 -10.035
  316    HE1  MET  39           HE1      MET  39  -1.544  -7.135 -12.400
  317    HE2  MET  39           HE2      MET  39  -0.403  -7.964 -13.456
  318    HE3  MET  39           HE3      MET  39  -0.462  -6.204 -13.445
  319    H    CYS  40           HN       CYS  40  -2.848  -2.504  -9.022
  320    HA   CYS  40           HA       CYS  40  -3.136  -3.736  -6.506
  321    HB2  CYS  40           HB2      CYS  40  -4.480  -1.772  -7.865
  322    HB3  CYS  40           HB1      CYS  40  -5.680  -3.062  -7.835
  323    HA   PRO  41           HA       PRO  41  -4.398  -7.928  -7.425
  324    HB2  PRO  41           HB2      PRO  41  -6.574  -7.619  -5.432
  325    HB3  PRO  41           HB1      PRO  41  -5.283  -8.832  -5.514
  326    HG2  PRO  41           HG2      PRO  41  -5.283  -6.808  -3.743
  327    HG3  PRO  41           HG1      PRO  41  -3.803  -7.525  -4.398
  328    HD2  PRO  41           HD2      PRO  41  -5.018  -4.885  -4.978
  329    HD3  PRO  41           HD1      PRO  41  -3.330  -5.422  -5.115
  330    H    GLY  42           HN       GLY  42  -7.013  -5.561  -7.015
  331    HA2  GLY  42           HA2      GLY  42  -8.502  -6.966  -9.224
  332    HA3  GLY  42           HA1      GLY  42  -9.316  -6.199  -7.868
  333    H    CYS  43           HN       CYS  43  -7.232  -3.958  -8.046
  334    HA   CYS  43           HA       CYS  43  -8.730  -2.410 -10.069
  335    HB2  CYS  43           HB2      CYS  43  -6.649  -1.025  -8.532
  336    HB3  CYS  43           HB1      CYS  43  -8.356  -0.624  -8.729
  337    H    SER  44           HN       SER  44  -5.707  -3.991  -9.719
  338    HA   SER  44           HA       SER  44  -3.735  -3.916 -11.005
  339    HB2  SER  44           HB2      SER  44  -4.128  -4.139 -13.303
  340    HB3  SER  44           HB1      SER  44  -5.687  -4.590 -12.620
  341    HG   SER  44           HG       SER  44  -5.524  -2.907 -14.399
  342    H    ASP  45           HN       ASP  45  -4.360  -1.478  -9.583
  343    HA   ASP  45           HA       ASP  45  -3.693   0.696 -11.460
  344    HB2  ASP  45           HB2      ASP  45  -4.881   0.490  -8.803
  345    HB3  ASP  45           HB1      ASP  45  -3.611   1.712  -8.856
  346    HA   PRO  46           HA       PRO  46   0.635   0.705 -10.748
  347    HB2  PRO  46           HB2      PRO  46   1.128   3.372 -10.064
  348    HB3  PRO  46           HB1      PRO  46   0.978   2.744 -11.713
  349    HG2  PRO  46           HG2      PRO  46  -1.023   4.160 -10.043
  350    HG3  PRO  46           HG1      PRO  46  -0.738   4.248 -11.788
  351    HD2  PRO  46           HD2      PRO  46  -2.819   2.855 -10.743
  352    HD3  PRO  46           HD1      PRO  46  -1.990   2.339 -12.228
  353    H    VAL  47           HN       VAL  47   0.103  -0.610  -8.720
  354    HA   VAL  47           HA       VAL  47  -0.177   0.386  -6.126
  355    HB   VAL  47           HB       VAL  47   1.654  -1.883  -6.932
  356   HG11  VAL  47          HG11      VAL  47   2.013  -1.308  -4.641
  357   HG12  VAL  47          HG12      VAL  47   0.949  -2.714  -4.650
  358   HG13  VAL  47          HG13      VAL  47   0.284  -1.107  -4.359
  359   HG21  VAL  47          HG21      VAL  47  -1.283  -1.908  -6.223
  360   HG22  VAL  47          HG22      VAL  47  -0.308  -3.289  -6.732
  361   HG23  VAL  47          HG23      VAL  47  -0.662  -1.986  -7.865
  362    H    GLN  48           HN       GLN  48   0.954   2.353  -5.785
  363    HA   GLN  48           HA       GLN  48   3.735   2.720  -6.356
  364    HB2  GLN  48           HB2      GLN  48   2.426   4.692  -6.007
  365    HB3  GLN  48           HB1      GLN  48   1.837   4.107  -4.450
  366    HG2  GLN  48           HG2      GLN  48   3.763   4.684  -3.353
  367    HG3  GLN  48           HG1      GLN  48   4.787   4.331  -4.745
  368   HE21  GLN  48          HE21      GLN  48   2.628   6.800  -3.344
  369   HE22  GLN  48          HE22      GLN  48   3.195   8.078  -4.306
  370    H    ARG  49           HN       ARG  49   2.122   2.259  -3.196
  371    HA   ARG  49           HA       ARG  49   4.277   0.409  -2.443
  372    HB2  ARG  49           HB2      ARG  49   5.492   1.920  -1.307
  373    HB3  ARG  49           HB1      ARG  49   4.312   3.175  -1.656
  374    HG2  ARG  49           HG2      ARG  49   2.988   2.523   0.305
  375    HG3  ARG  49           HG1      ARG  49   4.106   1.194   0.636
  376    HD2  ARG  49           HD2      ARG  49   5.117   4.019   0.419
  377    HD3  ARG  49           HD1      ARG  49   4.422   3.429   1.929
  378    HE   ARG  49           HE       ARG  49   6.282   1.484   1.202
  379   HH11  ARG  49          HH21      ARG  49   6.237   4.887   1.757
  380   HH12  ARG  49          HH22      ARG  49   7.873   4.951   2.322
  381   HH21  ARG  49          HH11      ARG  49   8.419   1.548   1.937
  382   HH22  ARG  49          HH12      ARG  49   9.108   3.060   2.424
  383    H    ILE  50           HN       ILE  50   3.563  -1.116  -0.979
  384    HA   ILE  50           HA       ILE  50   0.726  -0.914  -0.188
  385    HB   ILE  50           HB       ILE  50   2.460  -3.288   0.374
  386   HG12  ILE  50          HG12      ILE  50   1.294  -2.453  -2.289
  387   HG13  ILE  50          HG11      ILE  50   2.980  -2.799  -1.918
  388   HG21  ILE  50          HG21      ILE  50   0.024  -3.007   1.118
  389   HG22  ILE  50          HG22      ILE  50   0.409  -4.480   0.232
  390   HG23  ILE  50          HG23      ILE  50  -0.394  -3.144  -0.588
  391   HD11  ILE  50          HD11      ILE  50   1.984  -5.127  -1.146
  392   HD12  ILE  50          HD12      ILE  50   2.357  -4.830  -2.845
  393   HD13  ILE  50          HD13      ILE  50   0.695  -4.696  -2.269
  394    H    GLU  51           HN       GLU  51   0.076  -1.094   1.936
  395    HA   GLU  51           HA       GLU  51   2.173  -1.101   4.034
  396    HB2  GLU  51           HB2      GLU  51  -0.004   0.996   3.849
  397    HB3  GLU  51           HB1      GLU  51   1.213   0.867   5.123
  398    HG2  GLU  51           HG2      GLU  51   2.984   1.065   3.347
  399    HG3  GLU  51           HG1      GLU  51   1.702   1.411   2.186
  400    H    GLN  52           HN       GLN  52   1.462  -1.883   6.026
  401    HA   GLN  52           HA       GLN  52  -1.122  -3.334   5.913
  402    HB2  GLN  52           HB2      GLN  52  -0.237  -4.851   7.431
  403    HB3  GLN  52           HB1      GLN  52   1.229  -4.339   6.600
  404    HG2  GLN  52           HG2      GLN  52   1.391  -2.511   8.426
  405    HG3  GLN  52           HG1      GLN  52   0.219  -3.489   9.313
  406   HE21  GLN  52          HE21      GLN  52   0.921  -5.559  10.144
  407   HE22  GLN  52          HE22      GLN  52   2.552  -6.027  10.135
  408    H    CYS  53           HN       CYS  53  -2.741  -3.000   7.491
  409    HA   CYS  53           HA       CYS  53  -2.233  -0.995   9.600
  410    HB2  CYS  53           HB2      CYS  53  -3.583  -0.416   7.113
  411    HB3  CYS  53           HB1      CYS  53  -4.692  -0.224   8.470
  412    H    THR  54           HN       THR  54  -4.228  -0.762  11.015
  413    HA   THR  54           HA       THR  54  -5.347  -3.432  11.510
  414    HB   THR  54           HB       THR  54  -6.569  -1.687  13.284
  415    HG1  THR  54           HG1      THR  54  -4.760  -0.396  13.962
  416   HG21  THR  54          HG21      THR  54  -4.881  -2.539  14.888
  417   HG22  THR  54          HG22      THR  54  -3.916  -3.130  13.534
  418   HG23  THR  54          HG23      THR  54  -5.508  -3.819  13.851
  419    H    ARG  55           HN       ARG  55  -7.664  -3.807  11.605
  420    HA   ARG  55           HA       ARG  55  -9.104  -2.779   9.401
  421    HB2  ARG  55           HB2      ARG  55 -11.028  -3.916  10.291
  422    HB3  ARG  55           HB1      ARG  55  -9.619  -4.897  10.697
  423    HG2  ARG  55           HG2      ARG  55  -9.680  -3.297  12.871
  424    HG3  ARG  55           HG1      ARG  55 -11.400  -3.316  12.475
  425    HD2  ARG  55           HD2      ARG  55 -11.152  -5.183  13.891
  426    HD3  ARG  55           HD1      ARG  55 -11.102  -5.890  12.275
  427    HE   ARG  55           HE       ARG  55  -8.441  -5.219  13.124
  428   HH11  ARG  55          HH21      ARG  55 -11.058  -7.402  13.645
  429   HH12  ARG  55          HH22      ARG  55 -10.042  -8.709  14.150
  430   HH21  ARG  55          HH11      ARG  55  -7.099  -6.914  13.782
  431   HH22  ARG  55          HH12      ARG  55  -7.799  -8.434  14.227
  432    H    GLY  56           HN       GLY  56  -8.680  -1.469  12.585
  433    HA2  GLY  56           HA2      GLY  56 -10.885   0.478  12.151
  434    HA3  GLY  56           HA1      GLY  56 -10.004   0.247  13.660
  435    H    SER  57           HN       SER  57  -8.141   0.396  10.727
  436    HA   SER  57           HA       SER  57  -7.032   2.987  11.661
  437    HB2  SER  57           HB2      SER  57  -5.774   0.712  10.829
  438    HB3  SER  57           HB1      SER  57  -5.797   1.649   9.339
  439    HG   SER  57           HG       SER  57  -5.121   2.999  11.671
  440    H    LEU  58           HN       LEU  58  -8.843   1.576   9.044
  441    HA   LEU  58           HA       LEU  58  -8.731   4.178   7.564
  442    HB2  LEU  58           HB2      LEU  58  -9.642   1.553   6.393
  443    HB3  LEU  58           HB1      LEU  58  -9.076   2.995   5.552
  444    HG   LEU  58           HG       LEU  58  -7.377   1.179   7.298
  445   HD11  LEU  58          HD11      LEU  58  -6.578   0.218   5.358
  446   HD12  LEU  58          HD12      LEU  58  -6.837   1.677   4.405
  447   HD13  LEU  58          HD13      LEU  58  -8.199   0.625   4.792
  448   HD21  LEU  58          HD21      LEU  58  -6.255   3.182   7.529
  449   HD22  LEU  58          HD22      LEU  58  -6.962   3.868   6.067
  450   HD23  LEU  58          HD23      LEU  58  -5.626   2.726   5.948
  451    H    PHE  59           HN       PHE  59 -10.849   4.513   6.256
  452    HA   PHE  59           HA       PHE  59 -13.185   3.768   7.975
  453    HB2  PHE  59           HB2      PHE  59 -12.755   6.364   6.471
  454    HB3  PHE  59           HB1      PHE  59 -14.150   5.964   7.476
  455    HD1  PHE  59           HD2      PHE  59 -10.455   6.455   7.551
  456    HD2  PHE  59           HD1      PHE  59 -14.089   6.242   9.830
  457    HE1  PHE  59           HE2      PHE  59  -9.241   7.251   9.561
  458    HE2  PHE  59           HE1      PHE  59 -12.875   7.039  11.841
  459    HZ   PHE  59           HZ       PHE  59 -10.451   7.543  11.706
  460    H    MET  60           HN       MET  60 -14.661   2.578   6.875
  461    HA   MET  60           HA       MET  60 -14.435   2.369   3.945
  462    HB2  MET  60           HB2      MET  60 -16.197   0.913   5.934
  463    HB3  MET  60           HB1      MET  60 -16.108   0.548   4.210
  464    HG2  MET  60           HG2      MET  60 -13.529   0.666   5.695
  465    HG3  MET  60           HG1      MET  60 -14.574  -0.717   6.016
  466    HE1  MET  60           HE1      MET  60 -13.914  -2.860   4.777
  467    HE2  MET  60           HE2      MET  60 -12.487  -1.965   5.292
  468    HE3  MET  60           HE3      MET  60 -12.519  -2.718   3.700
  469    H    CYS  61           HN       CYS  61 -16.059   2.904   2.482
  470    HA   CYS  61           HA       CYS  61 -18.022   4.910   3.432
  471    HB2  CYS  61           HB2      CYS  61 -16.705   5.426   1.406
  472    HB3  CYS  61           HB1      CYS  61 -17.340   3.981   0.620
  473    H    SER  62           HN       SER  62 -20.268   4.592   3.290
  474    HA   SER  62           HA       SER  62 -21.156   1.814   3.250
  475    HB2  SER  62           HB2      SER  62 -23.344   3.677   3.135
  476    HB3  SER  62           HB1      SER  62 -22.836   2.660   4.481
  477    HG   SER  62           HG       SER  62 -22.276   5.322   3.916
  478    H    ILE  63           HN       ILE  63 -22.221   4.658   1.378
  479    HA   ILE  63           HA       ILE  63 -23.730   3.417  -0.581
  480    HB   ILE  63           HB       ILE  63 -21.741   5.668  -1.013
  481   HG12  ILE  63          HG12      ILE  63 -24.613   6.248  -0.690
  482   HG13  ILE  63          HG11      ILE  63 -23.844   5.603   0.758
  483   HG21  ILE  63          HG21      ILE  63 -23.455   6.313  -2.785
  484   HG22  ILE  63          HG22      ILE  63 -24.140   4.700  -2.585
  485   HG23  ILE  63          HG23      ILE  63 -22.481   4.889  -3.153
  486   HD11  ILE  63          HD11      ILE  63 -23.691   8.072   0.680
  487   HD12  ILE  63          HD12      ILE  63 -22.831   7.960  -0.856
  488   HD13  ILE  63          HD13      ILE  63 -22.096   7.323   0.615
  489    H    VAL  64           HN       VAL  64 -23.273   1.753  -1.932
  490    HA   VAL  64           HA       VAL  64 -20.445   1.110  -2.513
  491    HB   VAL  64           HB       VAL  64 -22.158  -0.627  -1.778
  492   HG11  VAL  64          HG11      VAL  64 -23.964  -1.148  -3.061
  493   HG12  VAL  64          HG12      VAL  64 -23.098  -0.886  -4.572
  494   HG13  VAL  64          HG13      VAL  64 -23.754   0.488  -3.681
  495   HG21  VAL  64          HG21      VAL  64 -21.420  -1.959  -4.138
  496   HG22  VAL  64          HG22      VAL  64 -20.521  -1.929  -2.620
  497   HG23  VAL  64          HG23      VAL  64 -20.158  -0.754  -3.884
  498    H    GLN  65           HN       GLN  65 -21.414  -0.247  -5.081
  499    HA   GLN  65           HA       GLN  65 -21.467   0.289  -7.361
  500    HB2  GLN  65           HB2      GLN  65 -23.577   1.532  -6.394
  501    HB3  GLN  65           HB1      GLN  65 -22.611   2.982  -6.678
  502    HG2  GLN  65           HG2      GLN  65 -22.279   2.270  -9.037
  503    HG3  GLN  65           HG1      GLN  65 -23.319   0.875  -8.742
  504   HE21  GLN  65          HE21      GLN  65 -25.621   1.250  -8.512
  505   HE22  GLN  65          HE22      GLN  65 -26.328   2.749  -8.874
  506    H    GLY  66           HN       GLY  66 -19.270   0.523  -7.816
  507    HA2  GLY  66           HA2      GLY  66 -17.209   1.618  -8.141
  508    HA3  GLY  66           HA1      GLY  66 -18.226   2.947  -8.703
  509    H    CYS  67           HN       CYS  67 -17.485   1.470  -5.522
  510    HA   CYS  67           HA       CYS  67 -16.518   4.093  -4.564
  511    HB2  CYS  67           HB2      CYS  67 -18.926   4.209  -4.143
  512    HB3  CYS  67           HB1      CYS  67 -18.882   2.646  -3.332
  513    H    LYS  68           HN       LYS  68 -17.512   2.235  -1.979
  514    HA   LYS  68           HA       LYS  68 -16.242   1.071  -0.376
  515    HB2  LYS  68           HB2      LYS  68 -15.632  -0.292  -2.995
  516    HB3  LYS  68           HB1      LYS  68 -14.899  -0.856  -1.493
  517    HG2  LYS  68           HG2      LYS  68 -17.145  -1.094  -0.489
  518    HG3  LYS  68           HG1      LYS  68 -17.873  -0.559  -2.004
  519    HD2  LYS  68           HD2      LYS  68 -17.683  -2.616  -2.904
  520    HD3  LYS  68           HD1      LYS  68 -15.975  -2.704  -2.471
  521    HE2  LYS  68           HE2      LYS  68 -17.408  -4.479  -1.389
  522    HE3  LYS  68           HE1      LYS  68 -16.503  -3.483  -0.249
  523    HZ1  LYS  68           HZ1      LYS  68 -19.375  -3.538  -0.802
  524    HZ2  LYS  68           HZ2      LYS  68 -18.680  -2.045  -0.381
  525    HZ3  LYS  68           HZ3      LYS  68 -18.560  -3.370   0.676
  526    H    ARG  69           HN       ARG  69 -15.028   3.521  -1.495
  527    HA   ARG  69           HA       ARG  69 -12.153   2.867  -1.631
  528    HB2  ARG  69           HB2      ARG  69 -13.765   5.388  -2.012
  529    HB3  ARG  69           HB1      ARG  69 -12.010   5.445  -1.847
  530    HG2  ARG  69           HG2      ARG  69 -13.020   3.418  -3.750
  531    HG3  ARG  69           HG1      ARG  69 -13.295   5.095  -4.227
  532    HD2  ARG  69           HD2      ARG  69 -10.614   3.972  -3.363
  533    HD3  ARG  69           HD1      ARG  69 -11.103   4.218  -5.039
  534    HE   ARG  69           HE       ARG  69 -10.339   6.319  -3.137
  535   HH11  ARG  69          HH21      ARG  69 -11.974   5.431  -6.045
  536   HH12  ARG  69          HH22      ARG  69 -11.880   7.016  -6.736
  537   HH21  ARG  69          HH11      ARG  69 -10.212   8.392  -4.027
  538   HH22  ARG  69          HH12      ARG  69 -10.884   8.692  -5.594
  539    H    THR  70           HN       THR  70 -11.057   2.682   0.274
  540    HA   THR  70           HA       THR  70 -12.174   3.842   2.725
  541    HB   THR  70           HB       THR  70  -9.599   2.895   3.286
  542    HG1  THR  70           HG1      THR  70 -10.922   1.398   1.285
  543   HG21  THR  70          HG21      THR  70 -12.292   1.526   3.453
  544   HG22  THR  70          HG22      THR  70 -11.548   2.540   4.690
  545   HG23  THR  70          HG23      THR  70 -10.835   0.979   4.283
  546    H    TYR  71           HN       TYR  71 -10.445   4.952   4.215
  547    HA   TYR  71           HA       TYR  71  -8.475   6.573   2.791
  548    HB2  TYR  71           HB2      TYR  71 -10.938   7.816   4.032
  549    HB3  TYR  71           HB1      TYR  71  -9.486   8.727   3.634
  550    HD1  TYR  71           HD2      TYR  71 -12.324   6.810   2.251
  551    HD2  TYR  71           HD1      TYR  71  -8.855   9.171   1.335
  552    HE1  TYR  71           HE2      TYR  71 -13.071   6.991  -0.108
  553    HE2  TYR  71           HE1      TYR  71  -9.601   9.352  -1.024
  554    HH   TYR  71           HH       TYR  71 -12.713   8.000  -2.075
  555    H    LEU  72           HN       LEU  72  -8.023   8.473   4.759
  556    HA   LEU  72           HA       LEU  72  -7.411   6.796   7.149
  557    HB2  LEU  72           HB2      LEU  72  -5.732   9.153   6.857
  558    HB3  LEU  72           HB1      LEU  72  -5.263   7.467   7.061
  559    HG   LEU  72           HG       LEU  72  -6.111   8.746   4.440
  560   HD11  LEU  72          HD11      LEU  72  -3.957   9.580   4.877
  561   HD12  LEU  72          HD12      LEU  72  -3.639   8.132   3.920
  562   HD13  LEU  72          HD13      LEU  72  -3.442   8.092   5.673
  563   HD21  LEU  72          HD21      LEU  72  -6.314   6.642   3.653
  564   HD22  LEU  72          HD22      LEU  72  -6.045   6.016   5.277
  565   HD23  LEU  72          HD23      LEU  72  -4.681   6.265   4.189
  566    H    SER  73           HN       SER  73  -9.170   9.474   6.056
  567    HA   SER  73           HA       SER  73  -9.640  10.288   8.873
  568    HB2  SER  73           HB2      SER  73  -9.174  12.567   8.531
  569    HB3  SER  73           HB1      SER  73  -7.859  11.769   7.674
  570    HG   SER  73           HG       SER  73  -8.906  13.417   6.435
  571    H    GLN  74           HN       GLN  74 -11.799  10.552   9.209
  572    HA   GLN  74           HA       GLN  74 -13.773   9.934   7.348
  573    HB2  GLN  74           HB2      GLN  74 -13.977  11.905   9.641
  574    HB3  GLN  74           HB1      GLN  74 -15.349  11.166   8.811
  575    HG2  GLN  74           HG2      GLN  74 -13.194   9.415   9.947
  576    HG3  GLN  74           HG1      GLN  74 -14.433  10.072  11.016
  577   HE21  GLN  74          HE21      GLN  74 -14.077   8.219   7.957
  578   HE22  GLN  74          HE22      GLN  74 -15.526   7.356   8.134
  579    H    ARG  75           HN       ARG  75 -11.974  12.872   7.732
  580    HA   ARG  75           HA       ARG  75 -13.709  14.623   6.246
  581    HB2  ARG  75           HB2      ARG  75 -11.824  15.346   7.754
  582    HB3  ARG  75           HB1      ARG  75 -10.693  14.756   6.538
  583    HG2  ARG  75           HG2      ARG  75 -12.421  16.336   5.057
  584    HG3  ARG  75           HG1      ARG  75 -12.265  17.224   6.572
  585    HD2  ARG  75           HD2      ARG  75  -9.742  16.893   6.350
  586    HD3  ARG  75           HD1      ARG  75 -10.057  16.356   4.700
  587    HE   ARG  75           HE       ARG  75 -10.208  19.107   5.663
  588   HH11  ARG  75          HH21      ARG  75 -11.302  16.763   3.383
  589   HH12  ARG  75          HH22      ARG  75 -11.703  17.933   2.171
  590   HH21  ARG  75          HH11      ARG  75 -10.725  20.649   4.094
  591   HH22  ARG  75          HH12      ARG  75 -11.376  20.133   2.573
  592    H    ASP  76           HN       ASP  76 -11.180  12.345   5.378
  593    HA   ASP  76           HA       ASP  76 -11.163  13.210   2.578
  594    HB2  ASP  76           HB2      ASP  76  -9.791  10.994   4.108
  595    HB3  ASP  76           HB1      ASP  76  -9.691  11.113   2.351
  596    H    LEU  77           HN       LEU  77 -12.531  10.647   4.578
  597    HA   LEU  77           HA       LEU  77 -13.552   9.175   2.313
  598    HB2  LEU  77           HB2      LEU  77 -13.202   7.998   4.408
  599    HB3  LEU  77           HB1      LEU  77 -14.244   9.135   5.251
  600    HG   LEU  77           HG       LEU  77 -15.556   7.936   2.933
  601   HD11  LEU  77          HD11      LEU  77 -14.131   6.029   3.568
  602   HD12  LEU  77          HD12      LEU  77 -15.827   5.712   3.932
  603   HD13  LEU  77          HD13      LEU  77 -14.716   6.150   5.226
  604   HD21  LEU  77          HD21      LEU  77 -17.363   7.738   4.522
  605   HD22  LEU  77          HD22      LEU  77 -16.563   9.280   4.831
  606   HD23  LEU  77          HD23      LEU  77 -16.252   7.899   5.883
  607    H    GLN  78           HN       GLN  78 -14.621  11.716   4.474
  608    HA   GLN  78           HA       GLN  78 -17.352  11.693   3.518
  609    HB2  GLN  78           HB2      GLN  78 -16.712  12.707   5.716
  610    HB3  GLN  78           HB1      GLN  78 -15.815  13.951   4.845
  611    HG2  GLN  78           HG2      GLN  78 -18.018  14.817   5.438
  612    HG3  GLN  78           HG1      GLN  78 -17.933  14.608   3.689
  613   HE21  GLN  78          HE21      GLN  78 -19.203  12.877   2.726
  614   HE22  GLN  78          HE22      GLN  78 -20.399  12.054   3.605
  615    H    ALA  79           HN       ALA  79 -14.332  13.101   2.604
  616    HA   ALA  79           HA       ALA  79 -15.472  14.942   0.660
  617    HB1  ALA  79           HB1      ALA  79 -12.676  13.755   0.778
  618    HB2  ALA  79           HB2      ALA  79 -13.173  15.212   1.640
  619    HB3  ALA  79           HB3      ALA  79 -13.166  15.190  -0.124
  620    H    HIS  80           HN       HIS  80 -14.808  11.545   0.865
  621    HA   HIS  80           HA       HIS  80 -14.633  11.152  -2.029
  622    HB2  HIS  80           HB2      HIS  80 -13.789   9.229  -1.217
  623    HB3  HIS  80           HB1      HIS  80 -14.552   9.478   0.344
  624    HD1  HIS  80           HD1      HIS  80 -15.666   8.508  -3.168
  625    HD2  HIS  80           HD2      HIS  80 -16.571   7.684   0.813
  626    HE1  HIS  80           HE1      HIS  80 -17.491   6.752  -3.199
  627    H    ILE  81           HN       ILE  81 -17.153  10.905   0.427
  628    HA   ILE  81           HA       ILE  81 -19.220   9.913  -1.262
  629    HB   ILE  81           HB       ILE  81 -19.840  11.910   0.897
  630   HG12  ILE  81          HG12      ILE  81 -18.060  10.360   1.755
  631   HG13  ILE  81          HG11      ILE  81 -19.563  10.310   2.648
  632   HG21  ILE  81          HG21      ILE  81 -21.130   9.344  -0.062
  633   HG22  ILE  81          HG22      ILE  81 -21.719  10.986  -0.295
  634   HG23  ILE  81          HG23      ILE  81 -21.699  10.278   1.319
  635   HD11  ILE  81          HD11      ILE  81 -18.506   8.045   2.086
  636   HD12  ILE  81          HD12      ILE  81 -18.972   8.360   0.418
  637   HD13  ILE  81          HD13      ILE  81 -20.206   8.245   1.667
  638    H    ASN  82           HN       ASN  82 -18.457  13.241  -0.275
  639    HA   ASN  82           HA       ASN  82 -20.403  14.452  -1.982
  640    HB2  ASN  82           HB2      ASN  82 -17.825  15.820  -1.257
  641    HB3  ASN  82           HB1      ASN  82 -19.450  16.496  -1.355
  642   HD21  ASN  82          HD21      ASN  82 -17.362  16.264   0.954
  643   HD22  ASN  82          HD22      ASN  82 -18.277  15.645   2.243
  644    H    HIS  83           HN       HIS  83 -17.236  13.118  -2.556
  645    HA   HIS  83           HA       HIS  83 -17.000  14.574  -5.092
  646    HB2  HIS  83           HB2      HIS  83 -15.263  12.540  -3.726
  647    HB3  HIS  83           HB1      HIS  83 -14.926  13.116  -5.353
  648    HD1  HIS  83           HD1      HIS  83 -12.697  14.109  -4.107
  649    HD2  HIS  83           HD2      HIS  83 -16.327  15.943  -3.179
  650    HE1  HIS  83           HE1      HIS  83 -12.124  16.350  -3.068
  651    HE2  HIS  83           HE2      HIS  83 -14.326  17.473  -2.500
  652    H    ARG  84           HN       ARG  84 -18.482  11.642  -4.083
  653    HA   ARG  84           HA       ARG  84 -18.378  10.618  -6.877
  654    HB2  ARG  84           HB2      ARG  84 -18.710   9.092  -4.303
  655    HB3  ARG  84           HB1      ARG  84 -18.696   8.374  -5.914
  656    HG2  ARG  84           HG2      ARG  84 -16.431  10.034  -4.762
  657    HG3  ARG  84           HG1      ARG  84 -16.464   8.273  -4.758
  658    HD2  ARG  84           HD2      ARG  84 -16.990   8.792  -7.394
  659    HD3  ARG  84           HD1      ARG  84 -15.942  10.148  -6.985
  660    HE   ARG  84           HE       ARG  84 -14.559   8.023  -5.954
  661   HH11  ARG  84          HH21      ARG  84 -16.108   8.662  -8.967
  662   HH12  ARG  84          HH22      ARG  84 -15.011   7.690  -9.890
  663   HH21  ARG  84          HH11      ARG  84 -13.116   6.752  -7.142
  664   HH22  ARG  84          HH12      ARG  84 -13.317   6.609  -8.856
  665    H    HIS  85           HN       HIS  85 -20.574  10.782  -4.077
  666    HA   HIS  85           HA       HIS  85 -22.816  10.923  -6.013
  667    HB2  HIS  85           HB2      HIS  85 -23.938   9.357  -4.092
  668    HB3  HIS  85           HB1      HIS  85 -23.234   8.728  -5.581
  669    HD1  HIS  85           HD1      HIS  85 -22.038   6.643  -4.846
  670    HD2  HIS  85           HD2      HIS  85 -21.247   9.864  -2.326
  671    HE1  HIS  85           HE1      HIS  85 -20.289   5.847  -3.197
  672    H    MET  86           HN       MET  86 -21.503  11.558  -2.867
  673    HA   MET  86           HA       MET  86 -22.145  13.091  -1.210
  674    HB2  MET  86           HB2      MET  86 -22.298  14.509  -3.382
  675    HB3  MET  86           HB1      MET  86 -24.041  14.302  -3.218
  676    HG2  MET  86           HG2      MET  86 -23.359  15.014  -0.668
  677    HG3  MET  86           HG1      MET  86 -22.181  15.932  -1.604
  678    HE1  MET  86           HE1      MET  86 -24.898  18.412  -0.539
  679    HE2  MET  86           HE2      MET  86 -23.679  17.311   0.101
  680    HE3  MET  86           HE3      MET  86 -25.376  16.840   0.113
  681    H    ARG  87           HN       ARG  87 -23.601  10.587  -1.452
  682    HA   ARG  87           HA       ARG  87 -26.394  11.335  -0.816
  683    HB2  ARG  87           HB2      ARG  87 -26.105   9.434  -2.315
  684    HB3  ARG  87           HB1      ARG  87 -25.057   8.635  -1.143
  685    HG2  ARG  87           HG2      ARG  87 -26.809   7.894   0.086
  686    HG3  ARG  87           HG1      ARG  87 -27.645   9.443  -0.019
  687    HD2  ARG  87           HD2      ARG  87 -27.491   7.540  -2.362
  688    HD3  ARG  87           HD1      ARG  87 -28.788   7.458  -1.169
  689    HE   ARG  87           HE       ARG  87 -28.487   9.502  -3.227
  690   HH11  ARG  87          HH21      ARG  87 -29.686   8.689  -0.099
  691   HH12  ARG  87          HH22      ARG  87 -30.930   9.893  -0.117
  692   HH21  ARG  87          HH11      ARG  87 -30.103  11.080  -3.268
  693   HH22  ARG  87          HH12      ARG  87 -31.166  11.248  -1.911
  694    H    ALA  88           HN       ALA  88 -24.936  12.388   1.131
  695    HA   ALA  88           HA       ALA  88 -24.639  12.390   3.460
  696    HB1  ALA  88           HB1      ALA  88 -26.401  11.502   4.572
  697    HB2  ALA  88           HB2      ALA  88 -26.055   9.876   3.982
  698    HB3  ALA  88           HB3      ALA  88 -26.987  10.996   2.988
  699    H    GLY  89           HN       GLY  89 -23.252  11.407   5.018
  700    HA2  GLY  89           HA2      GLY  89 -22.321   8.831   5.238
  701    HA3  GLY  89           HA1      GLY  89 -21.382   9.465   3.886
  Start of MODEL   17
    1    H1   VAL   1           HT1      VAL   1 -11.775  -3.027   4.738
    2    H2   VAL   1           HT2      VAL   1 -13.102  -1.983   4.934
    3    H3   VAL   1           HT3      VAL   1 -12.582  -2.420   3.376
    4    HA   VAL   1           HA       VAL   1 -14.491  -3.684   4.972
    5    HB   VAL   1           HB       VAL   1 -14.533  -5.226   2.938
    6   HG11  VAL   1          HG11      VAL   1 -15.283  -3.391   1.417
    7   HG12  VAL   1          HG12      VAL   1 -14.587  -2.220   2.536
    8   HG13  VAL   1          HG13      VAL   1 -15.938  -3.233   3.046
    9   HG21  VAL   1          HG21      VAL   1 -12.631  -3.283   1.670
   10   HG22  VAL   1          HG22      VAL   1 -13.010  -4.942   1.203
   11   HG23  VAL   1          HG23      VAL   1 -11.971  -4.633   2.594
   12    H    HIS   2           HN       HIS   2 -14.608  -6.001   5.478
   13    HA   HIS   2           HA       HIS   2 -12.030  -6.998   6.505
   14    HB2  HIS   2           HB2      HIS   2 -14.255  -8.787   6.943
   15    HB3  HIS   2           HB1      HIS   2 -13.298  -7.901   8.130
   16    HD1  HIS   2           HD1      HIS   2 -13.985  -5.139   8.079
   17    HD2  HIS   2           HD2      HIS   2 -16.878  -7.941   6.990
   18    HE1  HIS   2           HE1      HIS   2 -16.228  -3.981   8.306
   19    HE2  HIS   2           HE2      HIS   2 -17.995  -5.678   7.646
   20    H    PHE   3           HN       PHE   3 -14.657  -8.125   4.387
   21    HA   PHE   3           HA       PHE   3 -13.153 -10.485   3.580
   22    HB2  PHE   3           HB2      PHE   3 -15.008 -10.673   1.851
   23    HB3  PHE   3           HB1      PHE   3 -15.548 -10.672   3.529
   24    HD1  PHE   3           HD2      PHE   3 -16.417  -8.532   4.551
   25    HD2  PHE   3           HD1      PHE   3 -15.651  -8.941   0.345
   26    HE1  PHE   3           HE2      PHE   3 -17.816  -6.535   4.103
   27    HE2  PHE   3           HE1      PHE   3 -17.052  -6.944  -0.104
   28    HZ   PHE   3           HZ       PHE   3 -18.134  -5.741   1.775
   29    H    CYS   4           HN       CYS   4 -11.309 -10.094   2.431
   30    HA   CYS   4           HA       CYS   4 -10.617  -7.884   0.908
   31    HB2  CYS   4           HB2      CYS   4  -9.048  -9.697   1.359
   32    HB3  CYS   4           HB1      CYS   4  -9.964 -10.782   0.313
   33    H    ASP   5           HN       ASP   5 -10.892  -7.248  -1.253
   34    HA   ASP   5           HA       ASP   5 -13.367  -8.195  -2.489
   35    HB2  ASP   5           HB2      ASP   5 -12.290  -5.751  -2.358
   36    HB3  ASP   5           HB1      ASP   5 -11.580  -6.266  -3.889
   37    H    LYS   6           HN       LYS   6  -9.890  -8.522  -3.086
   38    HA   LYS   6           HA       LYS   6 -10.457  -9.811  -5.689
   39    HB2  LYS   6           HB2      LYS   6  -8.291  -8.314  -4.667
   40    HB3  LYS   6           HB1      LYS   6  -7.686  -9.953  -4.904
   41    HG2  LYS   6           HG2      LYS   6  -9.218  -8.409  -7.023
   42    HG3  LYS   6           HG1      LYS   6  -7.462  -8.466  -6.930
   43    HD2  LYS   6           HD2      LYS   6  -8.876 -11.085  -6.862
   44    HD3  LYS   6           HD1      LYS   6  -8.869 -10.221  -8.398
   45    HE2  LYS   6           HE2      LYS   6  -6.323 -10.543  -6.826
   46    HE3  LYS   6           HE1      LYS   6  -6.896 -11.843  -7.871
   47    HZ1  LYS   6           HZ1      LYS   6  -7.132  -9.501  -9.324
   48    HZ2  LYS   6           HZ2      LYS   6  -6.015 -10.757  -9.568
   49    HZ3  LYS   6           HZ3      LYS   6  -5.607  -9.433  -8.585
   50    H    CYS   7           HN       CYS   7  -9.123 -10.634  -2.508
   51    HA   CYS   7           HA       CYS   7  -8.802 -13.433  -3.346
   52    HB2  CYS   7           HB2      CYS   7  -8.448 -12.328  -0.558
   53    HB3  CYS   7           HB1      CYS   7  -7.736 -13.787  -1.244
   54    H    GLY   8           HN       GLY   8 -11.099 -11.465  -1.602
   55    HA2  GLY   8           HA2      GLY   8 -13.269 -12.021  -0.883
   56    HA3  GLY   8           HA1      GLY   8 -13.060 -13.591  -1.659
   57    H    LEU   9           HN       LEU   9 -10.515 -12.913   0.472
   58    HA   LEU   9           HA       LEU   9 -11.680 -14.789   2.472
   59    HB2  LEU   9           HB2      LEU   9  -8.958 -14.160   1.500
   60    HB3  LEU   9           HB1      LEU   9  -9.079 -14.403   3.241
   61    HG   LEU   9           HG       LEU   9 -10.206 -16.568   2.864
   62   HD11  LEU   9          HD11      LEU   9 -11.344 -16.442   0.840
   63   HD12  LEU   9          HD12      LEU   9  -9.926 -17.374   0.360
   64   HD13  LEU   9          HD13      LEU   9 -10.003 -15.645   0.018
   65   HD21  LEU   9          HD21      LEU   9  -7.633 -16.296   1.276
   66   HD22  LEU   9          HD22      LEU   9  -8.258 -17.780   1.995
   67   HD23  LEU   9          HD23      LEU   9  -7.725 -16.455   3.030
   68    HA   PRO  10           HA       PRO  10 -12.168 -11.550   5.413
   69    HB2  PRO  10           HB2      PRO  10 -11.399 -12.731   7.761
   70    HB3  PRO  10           HB1      PRO  10 -12.963 -12.995   6.968
   71    HG2  PRO  10           HG2      PRO  10 -10.552 -14.724   7.012
   72    HG3  PRO  10           HG1      PRO  10 -12.264 -15.172   6.986
   73    HD2  PRO  10           HD2      PRO  10 -10.627 -15.271   4.769
   74    HD3  PRO  10           HD1      PRO  10 -12.390 -15.072   4.686
   75    H    ILE  11           HN       ILE  11 -10.674 -10.062   4.885
   76    HA   ILE  11           HA       ILE  11  -7.921 -10.026   5.005
   77    HB   ILE  11           HB       ILE  11  -9.880  -7.809   5.681
   78   HG12  ILE  11          HG12      ILE  11  -8.339  -8.333   3.134
   79   HG13  ILE  11          HG11      ILE  11  -9.948  -8.997   3.413
   80   HG21  ILE  11          HG21      ILE  11  -7.668  -7.183   6.509
   81   HG22  ILE  11          HG22      ILE  11  -8.008  -6.294   5.026
   82   HG23  ILE  11          HG23      ILE  11  -6.940  -7.690   4.990
   83   HD11  ILE  11          HD11      ILE  11  -9.765  -6.144   4.040
   84   HD12  ILE  11          HD12      ILE  11 -10.949  -7.003   3.057
   85   HD13  ILE  11          HD13      ILE  11  -9.412  -6.502   2.352
   86    H    LYS  12           HN       LYS  12  -6.687 -10.747   6.667
   87    HA   LYS  12           HA       LYS  12  -7.494 -10.370   9.464
   88    HB2  LYS  12           HB2      LYS  12  -4.822 -11.307   8.362
   89    HB3  LYS  12           HB1      LYS  12  -5.425 -11.531  10.004
   90    HG2  LYS  12           HG2      LYS  12  -7.448 -12.584   8.401
   91    HG3  LYS  12           HG1      LYS  12  -5.961 -13.110   7.611
   92    HD2  LYS  12           HD2      LYS  12  -6.644 -13.492  10.542
   93    HD3  LYS  12           HD1      LYS  12  -6.649 -14.751   9.307
   94    HE2  LYS  12           HE2      LYS  12  -4.486 -15.112   9.848
   95    HE3  LYS  12           HE1      LYS  12  -4.135 -13.581   9.045
   96    HZ1  LYS  12           HZ1      LYS  12  -5.128 -13.341  11.750
   97    HZ2  LYS  12           HZ2      LYS  12  -3.843 -12.534  10.986
   98    HZ3  LYS  12           HZ3      LYS  12  -3.612 -14.093  11.622
   99    H    VAL  13           HN       VAL  13  -5.285  -8.976   7.121
  100    HA   VAL  13           HA       VAL  13  -4.894  -6.643   8.910
  101    HB   VAL  13           HB       VAL  13  -2.645  -7.434   7.167
  102   HG11  VAL  13          HG11      VAL  13  -1.338  -6.525   9.040
  103   HG12  VAL  13          HG12      VAL  13  -2.801  -6.420  10.019
  104   HG13  VAL  13          HG13      VAL  13  -2.621  -5.401   8.591
  105   HG21  VAL  13          HG21      VAL  13  -3.397  -8.923   9.690
  106   HG22  VAL  13          HG22      VAL  13  -1.762  -8.931   9.030
  107   HG23  VAL  13          HG23      VAL  13  -3.096  -9.604   8.093
  108    H    TYR  14           HN       TYR  14  -5.040  -4.725   7.729
  109    HA   TYR  14           HA       TYR  14  -6.076  -4.968   5.021
  110    HB2  TYR  14           HB2      TYR  14  -5.606  -2.700   6.909
  111    HB3  TYR  14           HB1      TYR  14  -5.894  -2.367   5.206
  112    HD1  TYR  14           HD1      TYR  14  -7.344  -5.053   7.398
  113    HD2  TYR  14           HD2      TYR  14  -8.065  -1.515   5.084
  114    HE1  TYR  14           HE1      TYR  14  -9.775  -5.312   7.766
  115    HE2  TYR  14           HE2      TYR  14 -10.500  -1.764   5.459
  116    HH   TYR  14           HH       TYR  14 -11.788  -4.463   7.407
  117    H    GLY  15           HN       GLY  15  -4.629  -5.422   3.457
  118    HA2  GLY  15           HA2      GLY  15  -1.908  -4.388   3.500
  119    HA3  GLY  15           HA1      GLY  15  -2.656  -5.272   2.163
  120    H    ARG  16           HN       ARG  16  -2.364  -2.134   3.687
  121    HA   ARG  16           HA       ARG  16  -4.045  -0.698   1.854
  122    HB2  ARG  16           HB2      ARG  16  -3.274   0.180   4.064
  123    HB3  ARG  16           HB1      ARG  16  -1.649   0.339   3.400
  124    HG2  ARG  16           HG2      ARG  16  -2.189   2.322   2.495
  125    HG3  ARG  16           HG1      ARG  16  -3.499   1.567   1.586
  126    HD2  ARG  16           HD2      ARG  16  -5.024   1.832   3.462
  127    HD3  ARG  16           HD1      ARG  16  -3.721   2.439   4.483
  128    HE   ARG  16           HE       ARG  16  -5.214   3.994   2.553
  129   HH11  ARG  16          HH21      ARG  16  -2.135   3.481   4.016
  130   HH12  ARG  16          HH22      ARG  16  -1.612   5.119   3.806
  131   HH21  ARG  16          HH11      ARG  16  -4.551   6.138   2.274
  132   HH22  ARG  16          HH12      ARG  16  -2.980   6.623   2.819
  133    H    MET  17           HN       MET  17  -3.664  -0.025  -0.183
  134    HA   MET  17           HA       MET  17  -0.898  -0.340  -1.268
  135    HB2  MET  17           HB2      MET  17  -3.504  -0.446  -2.804
  136    HB3  MET  17           HB1      MET  17  -1.899  -0.880  -3.390
  137    HG2  MET  17           HG2      MET  17  -1.975  -2.515  -1.289
  138    HG3  MET  17           HG1      MET  17  -3.712  -2.370  -1.549
  139    HE1  MET  17           HE1      MET  17  -0.519  -3.967  -4.390
  140    HE2  MET  17           HE2      MET  17  -0.516  -4.298  -2.663
  141    HE3  MET  17           HE3      MET  17  -0.389  -2.640  -3.232
  142    H    ILE  18           HN       ILE  18   0.049   1.521  -1.883
  143    HA   ILE  18           HA       ILE  18  -1.654   3.909  -2.409
  144    HB   ILE  18           HB       ILE  18   0.944   4.785  -2.018
  145   HG12  ILE  18          HG12      ILE  18   1.478   2.384  -1.451
  146   HG13  ILE  18          HG11      ILE  18   1.911   3.550  -0.238
  147   HG21  ILE  18          HG21      ILE  18   0.102   5.102   0.450
  148   HG22  ILE  18          HG22      ILE  18  -1.422   4.485  -0.180
  149   HG23  ILE  18          HG23      ILE  18  -0.722   5.957  -0.850
  150   HD11  ILE  18          HD11      ILE  18  -0.802   2.632   0.252
  151   HD12  ILE  18          HD12      ILE  18   0.598   2.569   1.312
  152   HD13  ILE  18          HD13      ILE  18   0.303   1.272   0.162
  153    HA   PRO  19           HA       PRO  19  -0.928   5.999  -3.134
  154    HB2  PRO  19           HB2      PRO  19  -1.535   7.544  -5.265
  155    HB3  PRO  19           HB1      PRO  19   0.126   7.394  -4.658
  156    HG2  PRO  19           HG2      PRO  19  -1.145   6.135  -7.025
  157    HG3  PRO  19           HG1      PRO  19   0.510   6.722  -6.808
  158    HD2  PRO  19           HD2      PRO  19  -0.276   4.045  -6.642
  159    HD3  PRO  19           HD1      PRO  19   1.234   4.712  -5.988
  160    H    CYS  20           HN       CYS  20  -2.298   3.629  -4.962
  161    HA   CYS  20           HA       CYS  20  -4.852   4.577  -5.714
  162    HB2  CYS  20           HB2      CYS  20  -3.613   2.191  -5.894
  163    HB3  CYS  20           HB1      CYS  20  -4.671   1.854  -4.524
  164    H    LYS  21           HN       LYS  21  -3.626   3.503  -2.586
  165    HA   LYS  21           HA       LYS  21  -4.480   3.934  -0.438
  166    HB2  LYS  21           HB2      LYS  21  -5.513   6.011  -1.864
  167    HB3  LYS  21           HB1      LYS  21  -6.997   5.166  -1.415
  168    HG2  LYS  21           HG2      LYS  21  -6.275   5.181   0.954
  169    HG3  LYS  21           HG1      LYS  21  -4.818   6.063   0.494
  170    HD2  LYS  21           HD2      LYS  21  -7.222   7.332  -0.561
  171    HD3  LYS  21           HD1      LYS  21  -7.273   7.195   1.197
  172    HE2  LYS  21           HE2      LYS  21  -5.191   8.361   1.435
  173    HE3  LYS  21           HE1      LYS  21  -4.869   8.269  -0.297
  174    HZ1  LYS  21           HZ1      LYS  21  -6.472   9.837  -0.769
  175    HZ2  LYS  21           HZ2      LYS  21  -5.820  10.432   0.684
  176    HZ3  LYS  21           HZ3      LYS  21  -7.302   9.602   0.692
  177    H    HIS  22           HN       HIS  22  -5.229   1.738  -2.406
  178    HA   HIS  22           HA       HIS  22  -7.911   0.978  -1.442
  179    HB2  HIS  22           HB2      HIS  22  -6.065   0.038  -3.582
  180    HB3  HIS  22           HB1      HIS  22  -7.159  -1.159  -2.887
  181    HD2  HIS  22           HD2      HIS  22  -9.970   0.183  -2.719
  182    HE1  HIS  22           HE1      HIS  22  -9.297   1.981  -6.479
  183    HE2  HIS  22           HE2      HIS  22 -11.061   1.387  -4.759
  184    H    VAL  23           HN       VAL  23  -7.967  -1.584  -0.878
  185    HA   VAL  23           HA       VAL  23  -5.621  -2.291   0.774
  186    HB   VAL  23           HB       VAL  23  -6.725  -2.403   2.817
  187   HG11  VAL  23          HG11      VAL  23  -6.468  -0.052   2.079
  188   HG12  VAL  23          HG12      VAL  23  -7.868  -0.259   3.125
  189   HG13  VAL  23          HG13      VAL  23  -8.089  -0.104   1.386
  190   HG21  VAL  23          HG21      VAL  23  -9.322  -2.120   2.826
  191   HG22  VAL  23          HG22      VAL  23  -8.640  -3.682   2.372
  192   HG23  VAL  23          HG23      VAL  23  -9.209  -2.572   1.124
  193    H    PHE  24           HN       PHE  24  -5.464  -4.494   1.255
  194    HA   PHE  24           HA       PHE  24  -7.603  -6.357   0.514
  195    HB2  PHE  24           HB2      PHE  24  -4.980  -6.638  -0.963
  196    HB3  PHE  24           HB1      PHE  24  -6.484  -7.509  -1.247
  197    HD1  PHE  24           HD2      PHE  24  -8.446  -6.322  -2.256
  198    HD2  PHE  24           HD1      PHE  24  -4.586  -4.493  -1.898
  199    HE1  PHE  24           HE2      PHE  24  -9.103  -4.617  -3.930
  200    HE2  PHE  24           HE1      PHE  24  -5.232  -2.785  -3.573
  201    HZ   PHE  24           HZ       PHE  24  -7.490  -2.849  -4.602
  202    H    CYS  25           HN       CYS  25  -6.727  -8.697   0.903
  203    HA   CYS  25           HA       CYS  25  -5.628  -8.862   3.489
  204    HB2  CYS  25           HB2      CYS  25  -4.682 -11.147   2.086
  205    HB3  CYS  25           HB1      CYS  25  -6.088 -11.037   3.142
  206    H    TYR  26           HN       TYR  26  -3.727  -8.017   4.135
  207    HA   TYR  26           HA       TYR  26  -1.596  -7.242   2.493
  208    HB2  TYR  26           HB2      TYR  26  -1.872  -6.593   4.880
  209    HB3  TYR  26           HB1      TYR  26  -1.409  -8.223   5.350
  210    HD1  TYR  26           HD1      TYR  26  -0.065  -5.622   2.945
  211    HD2  TYR  26           HD2      TYR  26   0.761  -8.377   6.140
  212    HE1  TYR  26           HE1      TYR  26   2.319  -4.977   2.887
  213    HE2  TYR  26           HE2      TYR  26   3.148  -7.729   6.075
  214    HH   TYR  26           HH       TYR  26   4.560  -5.992   5.339
  215    H    ASP  27           HN       ASP  27  -2.550 -10.417   3.288
  216    HA   ASP  27           HA       ASP  27   0.105 -11.582   2.853
  217    HB2  ASP  27           HB2      ASP  27  -2.097 -13.451   2.540
  218    HB3  ASP  27           HB1      ASP  27  -0.834 -13.427   3.772
  219    H    CYS  28           HN       CYS  28  -2.826 -10.919   1.060
  220    HA   CYS  28           HA       CYS  28  -1.811 -12.317  -1.311
  221    HB2  CYS  28           HB2      CYS  28  -3.940 -12.167  -2.121
  222    HB3  CYS  28           HB1      CYS  28  -4.356 -11.749  -0.459
  223    H    ALA  29           HN       ALA  29  -1.879  -9.126   0.041
  224    HA   ALA  29           HA       ALA  29  -1.274  -7.733  -2.413
  225    HB1  ALA  29           HB1      ALA  29  -2.146  -6.917  -0.005
  226    HB2  ALA  29           HB2      ALA  29  -1.257  -5.836  -1.074
  227    HB3  ALA  29           HB3      ALA  29  -0.421  -6.659   0.243
  228    H    ILE  30           HN       ILE  30   0.615  -9.254   0.158
  229    HA   ILE  30           HA       ILE  30   3.129  -8.295  -1.001
  230    HB   ILE  30           HB       ILE  30   4.178  -9.602   0.781
  231   HG12  ILE  30          HG12      ILE  30   2.137 -10.500   2.390
  232   HG13  ILE  30          HG11      ILE  30   1.546 -10.890   0.787
  233   HG21  ILE  30          HG21      ILE  30   2.065  -7.627   1.205
  234   HG22  ILE  30          HG22      ILE  30   3.696  -7.691   1.868
  235   HG23  ILE  30          HG23      ILE  30   2.398  -8.608   2.630
  236   HD11  ILE  30          HD11      ILE  30   4.254 -11.670   1.892
  237   HD12  ILE  30          HD12      ILE  30   3.653 -12.073   0.284
  238   HD13  ILE  30          HD13      ILE  30   2.875 -12.754   1.712
  239    H    LEU  31           HN       LEU  31   1.164 -11.243  -0.943
  240    HA   LEU  31           HA       LEU  31   3.182 -12.875  -2.233
  241    HB2  LEU  31           HB2      LEU  31   0.241 -13.103  -1.774
  242    HB3  LEU  31           HB1      LEU  31   0.967 -14.142  -2.991
  243    HG   LEU  31           HG       LEU  31   2.220 -13.899  -0.269
  244   HD11  LEU  31          HD11      LEU  31   0.796 -16.185  -0.025
  245   HD12  LEU  31          HD12      LEU  31  -0.333 -15.236  -0.991
  246   HD13  LEU  31          HD13      LEU  31   0.217 -14.630   0.570
  247   HD21  LEU  31          HD21      LEU  31   2.061 -16.460  -1.753
  248   HD22  LEU  31          HD22      LEU  31   3.434 -15.723  -0.928
  249   HD23  LEU  31          HD23      LEU  31   2.990 -15.190  -2.549
  250    H    HIS  32           HN       HIS  32   0.958 -10.426  -3.314
  251    HA   HIS  32           HA       HIS  32   1.131 -11.238  -6.127
  252    HB2  HIS  32           HB2      HIS  32  -0.226  -9.097  -4.569
  253    HB3  HIS  32           HB1      HIS  32   0.186  -8.708  -6.239
  254    HD1  HIS  32           HD1      HIS  32  -1.525  -9.411  -7.905
  255    HD2  HIS  32           HD2      HIS  32  -1.662 -11.791  -4.483
  256    HE1  HIS  32           HE1      HIS  32  -3.445 -11.032  -8.234
  257    HE2  HIS  32           HE2      HIS  32  -3.537 -12.485  -6.158
  258    H    GLU  33           HN       GLU  33   2.508  -8.796  -3.975
  259    HA   GLU  33           HA       GLU  33   4.021  -7.425  -5.986
  260    HB2  GLU  33           HB2      GLU  33   3.712  -7.318  -3.131
  261    HB3  GLU  33           HB1      GLU  33   5.432  -7.311  -3.521
  262    HG2  GLU  33           HG2      GLU  33   4.994  -5.489  -5.180
  263    HG3  GLU  33           HG1      GLU  33   3.321  -5.441  -4.623
  264    H    LYS  34           HN       LYS  34   4.744 -10.259  -3.962
  265    HA   LYS  34           HA       LYS  34   7.490 -10.367  -4.977
  266    HB2  LYS  34           HB2      LYS  34   7.835 -12.143  -3.493
  267    HB3  LYS  34           HB1      LYS  34   6.613 -11.184  -2.659
  268    HG2  LYS  34           HG2      LYS  34   4.882 -12.681  -3.842
  269    HG3  LYS  34           HG1      LYS  34   6.238 -13.750  -4.208
  270    HD2  LYS  34           HD2      LYS  34   5.388 -12.842  -1.442
  271    HD3  LYS  34           HD1      LYS  34   5.163 -14.455  -2.120
  272    HE2  LYS  34           HE2      LYS  34   7.130 -14.755  -0.913
  273    HE3  LYS  34           HE1      LYS  34   7.768 -14.334  -2.501
  274    HZ1  LYS  34           HZ1      LYS  34   8.175 -13.003  -0.094
  275    HZ2  LYS  34           HZ2      LYS  34   7.225 -11.980  -1.061
  276    HZ3  LYS  34           HZ3      LYS  34   8.720 -12.551  -1.636
  277    H    LYS  35           HN       LYS  35   4.381 -11.776  -5.791
  278    HA   LYS  35           HA       LYS  35   5.547 -13.852  -7.470
  279    HB2  LYS  35           HB2      LYS  35   2.753 -12.813  -7.054
  280    HB3  LYS  35           HB1      LYS  35   3.110 -13.926  -8.371
  281    HG2  LYS  35           HG2      LYS  35   3.949 -15.591  -6.834
  282    HG3  LYS  35           HG1      LYS  35   3.827 -14.471  -5.478
  283    HD2  LYS  35           HD2      LYS  35   1.396 -14.402  -5.705
  284    HD3  LYS  35           HD1      LYS  35   1.476 -15.426  -7.138
  285    HE2  LYS  35           HE2      LYS  35   2.923 -16.715  -5.030
  286    HE3  LYS  35           HE1      LYS  35   1.340 -16.243  -4.411
  287    HZ1  LYS  35           HZ1      LYS  35   0.592 -18.050  -5.438
  288    HZ2  LYS  35           HZ2      LYS  35   2.020 -18.252  -6.336
  289    HZ3  LYS  35           HZ3      LYS  35   0.803 -17.205  -6.893
  290    H    GLY  36           HN       GLY  36   6.178 -10.902  -7.910
  291    HA2  GLY  36           HA2      GLY  36   6.712  -9.628  -9.815
  292    HA3  GLY  36           HA1      GLY  36   6.223 -11.009 -10.797
  293    H    ASP  37           HN       ASP  37   4.250  -9.255  -8.435
  294    HA   ASP  37           HA       ASP  37   2.611  -8.146 -10.645
  295    HB2  ASP  37           HB2      ASP  37   1.182  -9.298  -8.280
  296    HB3  ASP  37           HB1      ASP  37   0.630  -9.117  -9.943
  297    H    LYS  38           HN       LYS  38   4.260  -6.513  -9.474
  298    HA   LYS  38           HA       LYS  38   3.474  -5.373  -6.964
  299    HB2  LYS  38           HB2      LYS  38   4.712  -3.299  -8.116
  300    HB3  LYS  38           HB1      LYS  38   5.608  -4.701  -7.530
  301    HG2  LYS  38           HG2      LYS  38   5.880  -5.592  -9.679
  302    HG3  LYS  38           HG1      LYS  38   4.525  -4.671 -10.335
  303    HD2  LYS  38           HD2      LYS  38   5.822  -2.580 -10.052
  304    HD3  LYS  38           HD1      LYS  38   7.183  -3.517  -9.433
  305    HE2  LYS  38           HE2      LYS  38   7.003  -4.853 -11.647
  306    HE3  LYS  38           HE1      LYS  38   6.028  -3.500 -12.219
  307    HZ1  LYS  38           HZ1      LYS  38   8.838  -3.454 -11.291
  308    HZ2  LYS  38           HZ2      LYS  38   7.912  -2.041 -11.464
  309    HZ3  LYS  38           HZ3      LYS  38   8.236  -3.019 -12.815
  310    H    MET  39           HN       MET  39   1.390  -5.711  -9.208
  311    HA   MET  39           HA       MET  39   0.479  -2.910  -9.494
  312    HB2  MET  39           HB2      MET  39  -1.008  -3.720 -11.166
  313    HB3  MET  39           HB1      MET  39   0.490  -4.623 -11.417
  314    HG2  MET  39           HG2      MET  39  -0.558  -6.328  -9.737
  315    HG3  MET  39           HG1      MET  39  -2.081  -5.547 -10.163
  316    HE1  MET  39           HE1      MET  39  -2.703  -8.505 -12.365
  317    HE2  MET  39           HE2      MET  39  -3.432  -7.160 -11.491
  318    HE3  MET  39           HE3      MET  39  -2.344  -8.261 -10.650
  319    H    CYS  40           HN       CYS  40  -1.797  -2.415  -8.907
  320    HA   CYS  40           HA       CYS  40  -2.533  -3.523  -6.326
  321    HB2  CYS  40           HB2      CYS  40  -3.014  -1.203  -6.745
  322    HB3  CYS  40           HB1      CYS  40  -3.911  -1.597  -8.210
  323    HA   PRO  41           HA       PRO  41  -4.678  -7.040  -8.355
  324    HB2  PRO  41           HB2      PRO  41  -5.918  -7.277  -5.654
  325    HB3  PRO  41           HB1      PRO  41  -5.140  -8.521  -6.652
  326    HG2  PRO  41           HG2      PRO  41  -3.936  -7.481  -4.520
  327    HG3  PRO  41           HG1      PRO  41  -3.035  -7.937  -5.976
  328    HD2  PRO  41           HD2      PRO  41  -3.761  -5.225  -4.985
  329    HD3  PRO  41           HD1      PRO  41  -2.341  -5.750  -5.913
  330    H    GLY  42           HN       GLY  42  -6.077  -4.299  -6.749
  331    HA2  GLY  42           HA2      GLY  42  -8.817  -5.029  -7.610
  332    HA3  GLY  42           HA1      GLY  42  -8.383  -3.633  -6.624
  333    H    CYS  43           HN       CYS  43  -6.685  -2.165  -7.978
  334    HA   CYS  43           HA       CYS  43  -8.193  -1.440 -10.405
  335    HB2  CYS  43           HB2      CYS  43  -5.855   0.103  -9.323
  336    HB3  CYS  43           HB1      CYS  43  -7.263   0.700 -10.202
  337    H    SER  44           HN       SER  44  -5.129  -2.796  -9.493
  338    HA   SER  44           HA       SER  44  -3.526  -3.844 -10.858
  339    HB2  SER  44           HB2      SER  44  -4.105  -4.454 -12.994
  340    HB3  SER  44           HB1      SER  44  -5.705  -3.994 -12.420
  341    HG   SER  44           HG       SER  44  -4.092  -2.824 -14.294
  342    H    ASP  45           HN       ASP  45  -3.183  -1.231  -9.838
  343    HA   ASP  45           HA       ASP  45  -1.666   0.107 -12.031
  344    HB2  ASP  45           HB2      ASP  45  -3.427   1.133  -9.919
  345    HB3  ASP  45           HB1      ASP  45  -1.878   1.971 -10.008
  346    HA   PRO  46           HA       PRO  46   2.141  -0.639  -9.947
  347    HB2  PRO  46           HB2      PRO  46   3.247   1.935  -9.900
  348    HB3  PRO  46           HB1      PRO  46   3.376   0.776 -11.235
  349    HG2  PRO  46           HG2      PRO  46   1.569   3.103 -10.914
  350    HG3  PRO  46           HG1      PRO  46   2.301   2.427 -12.379
  351    HD2  PRO  46           HD2      PRO  46  -0.316   2.041 -11.768
  352    HD3  PRO  46           HD1      PRO  46   0.644   0.818 -12.631
  353    H    VAL  47           HN       VAL  47   1.301  -1.113  -7.825
  354    HA   VAL  47           HA       VAL  47   0.530   0.878  -5.933
  355    HB   VAL  47           HB       VAL  47   0.594  -0.822  -4.291
  356   HG11  VAL  47          HG11      VAL  47   0.045  -2.792  -6.315
  357   HG12  VAL  47          HG12      VAL  47  -0.565  -1.231  -6.855
  358   HG13  VAL  47          HG13      VAL  47  -1.098  -1.895  -5.323
  359   HG21  VAL  47          HG21      VAL  47   1.727  -3.084  -5.061
  360   HG22  VAL  47          HG22      VAL  47   2.701  -1.807  -4.334
  361   HG23  VAL  47          HG23      VAL  47   2.682  -2.014  -6.082
  362    H    GLN  48           HN       GLN  48   1.854   2.498  -5.320
  363    HA   GLN  48           HA       GLN  48   4.600   2.730  -5.599
  364    HB2  GLN  48           HB2      GLN  48   2.531   4.111  -4.137
  365    HB3  GLN  48           HB1      GLN  48   3.984   3.999  -3.144
  366    HG2  GLN  48           HG2      GLN  48   5.330   4.991  -4.885
  367    HG3  GLN  48           HG1      GLN  48   3.977   4.950  -6.017
  368   HE21  GLN  48          HE21      GLN  48   2.913   6.922  -6.191
  369   HE22  GLN  48          HE22      GLN  48   2.812   8.091  -4.964
  370    H    ARG  49           HN       ARG  49   2.929   1.832  -2.593
  371    HA   ARG  49           HA       ARG  49   4.890  -0.249  -2.087
  372    HB2  ARG  49           HB2      ARG  49   5.765   0.724   0.026
  373    HB3  ARG  49           HB1      ARG  49   6.222   1.679  -1.385
  374    HG2  ARG  49           HG2      ARG  49   4.110   3.073  -0.907
  375    HG3  ARG  49           HG1      ARG  49   4.100   2.285   0.673
  376    HD2  ARG  49           HD2      ARG  49   6.498   3.025   0.955
  377    HD3  ARG  49           HD1      ARG  49   6.301   3.993  -0.505
  378    HE   ARG  49           HE       ARG  49   4.174   4.648   1.262
  379   HH11  ARG  49          HH21      ARG  49   7.606   4.835   0.987
  380   HH12  ARG  49          HH22      ARG  49   7.737   6.275   1.942
  381   HH21  ARG  49          HH11      ARG  49   4.326   6.525   2.511
  382   HH22  ARG  49          HH12      ARG  49   5.880   7.231   2.805
  383    H    ILE  50           HN       ILE  50   3.797  -1.812  -0.991
  384    HA   ILE  50           HA       ILE  50   1.137  -1.241  -0.014
  385    HB   ILE  50           HB       ILE  50   2.587  -3.752   0.740
  386   HG12  ILE  50          HG12      ILE  50   1.502  -3.155  -2.025
  387   HG13  ILE  50          HG11      ILE  50   3.198  -3.361  -1.618
  388   HG21  ILE  50          HG21      ILE  50   0.489  -4.635   0.898
  389   HG22  ILE  50          HG22      ILE  50  -0.136  -3.680  -0.442
  390   HG23  ILE  50          HG23      ILE  50   0.063  -2.946   1.148
  391   HD11  ILE  50          HD11      ILE  50   2.335  -5.459  -2.514
  392   HD12  ILE  50          HD12      ILE  50   1.031  -5.458  -1.335
  393   HD13  ILE  50          HD13      ILE  50   2.699  -5.661  -0.803
  394    H    GLU  51           HN       GLU  51   0.439  -1.184   2.067
  395    HA   GLU  51           HA       GLU  51   2.468  -1.374   4.226
  396    HB2  GLU  51           HB2      GLU  51   0.537   0.937   3.969
  397    HB3  GLU  51           HB1      GLU  51   1.819   0.744   5.172
  398    HG2  GLU  51           HG2      GLU  51   3.468   0.628   3.275
  399    HG3  GLU  51           HG1      GLU  51   2.155   1.065   2.183
  400    H    GLN  52           HN       GLN  52   1.672  -2.092   6.153
  401    HA   GLN  52           HA       GLN  52  -0.942  -3.409   6.032
  402    HB2  GLN  52           HB2      GLN  52  -0.257  -4.629   7.905
  403    HB3  GLN  52           HB1      GLN  52   1.277  -4.296   7.101
  404    HG2  GLN  52           HG2      GLN  52   1.327  -2.152   8.573
  405    HG3  GLN  52           HG1      GLN  52   0.113  -2.981   9.548
  406   HE21  GLN  52          HE21      GLN  52   0.759  -5.160  10.441
  407   HE22  GLN  52          HE22      GLN  52   2.401  -5.472  10.738
  408    H    CYS  53           HN       CYS  53  -2.722  -2.931   7.333
  409    HA   CYS  53           HA       CYS  53  -2.531  -0.643   9.197
  410    HB2  CYS  53           HB2      CYS  53  -3.738  -0.517   6.552
  411    HB3  CYS  53           HB1      CYS  53  -4.914  -0.155   7.816
  412    H    THR  54           HN       THR  54  -4.459  -0.505  10.607
  413    HA   THR  54           HA       THR  54  -5.487  -3.170  11.226
  414    HB   THR  54           HB       THR  54  -6.869  -1.233  12.754
  415    HG1  THR  54           HG1      THR  54  -5.578   0.402  12.741
  416   HG21  THR  54          HG21      THR  54  -4.367  -2.831  13.371
  417   HG22  THR  54          HG22      THR  54  -6.025  -3.405  13.546
  418   HG23  THR  54          HG23      THR  54  -5.433  -2.096  14.569
  419    H    ARG  55           HN       ARG  55  -7.871  -3.537  11.482
  420    HA   ARG  55           HA       ARG  55  -9.258  -2.813   9.082
  421    HB2  ARG  55           HB2      ARG  55 -11.221  -3.915  10.124
  422    HB3  ARG  55           HB1      ARG  55  -9.767  -4.903  10.252
  423    HG2  ARG  55           HG2      ARG  55  -9.490  -3.624  12.559
  424    HG3  ARG  55           HG1      ARG  55 -11.232  -3.402  12.392
  425    HD2  ARG  55           HD2      ARG  55 -10.768  -5.459  13.641
  426    HD3  ARG  55           HD1      ARG  55 -11.498  -5.850  12.083
  427    HE   ARG  55           HE       ARG  55  -9.457  -6.861  11.434
  428   HH11  ARG  55          HH21      ARG  55  -9.133  -4.909  14.258
  429   HH12  ARG  55          HH22      ARG  55  -7.518  -5.434  14.597
  430   HH21  ARG  55          HH11      ARG  55  -7.350  -7.558  11.862
  431   HH22  ARG  55          HH12      ARG  55  -6.509  -6.934  13.241
  432    H    GLY  56           HN       GLY  56 -10.053  -1.916  12.459
  433    HA2  GLY  56           HA2      GLY  56 -11.871   0.158  11.559
  434    HA3  GLY  56           HA1      GLY  56 -11.318  -0.078  13.219
  435    H    SER  57           HN       SER  57  -8.888   0.160  10.745
  436    HA   SER  57           HA       SER  57  -7.987   2.689  11.974
  437    HB2  SER  57           HB2      SER  57  -6.608   0.511  11.085
  438    HB3  SER  57           HB1      SER  57  -6.474   1.575   9.690
  439    HG   SER  57           HG       SER  57  -6.059   3.124  11.708
  440    H    LEU  58           HN       LEU  58  -9.679   1.616   9.196
  441    HA   LEU  58           HA       LEU  58  -9.328   4.297   7.913
  442    HB2  LEU  58           HB2      LEU  58 -10.252   1.846   6.439
  443    HB3  LEU  58           HB1      LEU  58  -9.531   3.317   5.796
  444    HG   LEU  58           HG       LEU  58  -8.089   1.255   7.493
  445   HD11  LEU  58          HD11      LEU  58  -7.570   1.949   4.604
  446   HD12  LEU  58          HD12      LEU  58  -8.739   0.709   5.055
  447   HD13  LEU  58          HD13      LEU  58  -7.042   0.528   5.505
  448   HD21  LEU  58          HD21      LEU  58  -7.437   3.997   6.563
  449   HD22  LEU  58          HD22      LEU  58  -6.177   2.793   6.305
  450   HD23  LEU  58          HD23      LEU  58  -6.790   3.089   7.930
  451    H    PHE  59           HN       PHE  59 -11.337   4.787   6.471
  452    HA   PHE  59           HA       PHE  59 -13.782   4.121   8.059
  453    HB2  PHE  59           HB2      PHE  59 -13.223   6.592   6.397
  454    HB3  PHE  59           HB1      PHE  59 -14.665   6.295   7.371
  455    HD1  PHE  59           HD2      PHE  59 -10.936   6.508   7.636
  456    HD2  PHE  59           HD1      PHE  59 -14.719   6.933   9.628
  457    HE1  PHE  59           HE2      PHE  59  -9.783   7.412   9.637
  458    HE2  PHE  59           HE1      PHE  59 -13.565   7.837  11.627
  459    HZ   PHE  59           HZ       PHE  59 -11.097   8.076  11.632
  460    H    MET  60           HN       MET  60 -15.091   2.745   6.979
  461    HA   MET  60           HA       MET  60 -14.826   2.392   4.083
  462    HB2  MET  60           HB2      MET  60 -16.701   1.126   6.103
  463    HB3  MET  60           HB1      MET  60 -16.573   0.645   4.410
  464    HG2  MET  60           HG2      MET  60 -15.175  -0.861   5.640
  465    HG3  MET  60           HG1      MET  60 -14.090   0.268   4.831
  466    HE1  MET  60           HE1      MET  60 -11.902   0.163   6.572
  467    HE2  MET  60           HE2      MET  60 -12.891  -1.295   6.629
  468    HE3  MET  60           HE3      MET  60 -12.324  -0.564   8.128
  469    H    CYS  61           HN       CYS  61 -16.371   2.913   2.530
  470    HA   CYS  61           HA       CYS  61 -18.402   4.924   3.370
  471    HB2  CYS  61           HB2      CYS  61 -17.179   5.859   1.615
  472    HB3  CYS  61           HB1      CYS  61 -16.964   4.308   0.806
  473    H    SER  62           HN       SER  62 -20.226   3.770   3.974
  474    HA   SER  62           HA       SER  62 -21.058   1.382   2.497
  475    HB2  SER  62           HB2      SER  62 -21.747   2.686   5.005
  476    HB3  SER  62           HB1      SER  62 -23.187   2.192   4.120
  477    HG   SER  62           HG       SER  62 -22.728   0.229   4.677
  478    H    ILE  63           HN       ILE  63 -21.961   4.784   2.618
  479    HA   ILE  63           HA       ILE  63 -24.446   4.866   1.430
  480    HB   ILE  63           HB       ILE  63 -22.056   6.570   0.675
  481   HG12  ILE  63          HG12      ILE  63 -23.961   7.747   2.499
  482   HG13  ILE  63          HG11      ILE  63 -23.387   6.214   3.144
  483   HG21  ILE  63          HG21      ILE  63 -23.876   8.277   0.230
  484   HG22  ILE  63          HG22      ILE  63 -25.045   6.964   0.368
  485   HG23  ILE  63          HG23      ILE  63 -23.832   6.934  -0.913
  486   HD11  ILE  63          HD11      ILE  63 -21.655   8.512   2.196
  487   HD12  ILE  63          HD12      ILE  63 -21.048   6.954   2.756
  488   HD13  ILE  63          HD13      ILE  63 -21.904   8.018   3.870
  489    H    VAL  64           HN       VAL  64 -25.297   4.082  -0.422
  490    HA   VAL  64           HA       VAL  64 -25.432   3.041  -2.515
  491    HB   VAL  64           HB       VAL  64 -23.218   5.053  -2.922
  492   HG11  VAL  64          HG11      VAL  64 -22.631   3.528  -4.585
  493   HG12  VAL  64          HG12      VAL  64 -23.816   4.523  -5.431
  494   HG13  VAL  64          HG13      VAL  64 -24.287   2.953  -4.781
  495   HG21  VAL  64          HG21      VAL  64 -24.932   6.262  -4.132
  496   HG22  VAL  64          HG22      VAL  64 -25.610   5.781  -2.576
  497   HG23  VAL  64          HG23      VAL  64 -26.032   4.887  -4.035
  498    H    GLN  65           HN       GLN  65 -24.896   0.903  -2.361
  499    HA   GLN  65           HA       GLN  65 -22.398  -0.159  -1.562
  500    HB2  GLN  65           HB2      GLN  65 -23.893  -1.709  -3.601
  501    HB3  GLN  65           HB1      GLN  65 -23.342  -2.196  -1.998
  502    HG2  GLN  65           HG2      GLN  65 -25.162  -0.598  -1.096
  503    HG3  GLN  65           HG1      GLN  65 -25.818  -0.638  -2.733
  504   HE21  GLN  65          HE21      GLN  65 -26.741  -2.660  -3.501
  505   HE22  GLN  65          HE22      GLN  65 -27.054  -3.954  -2.448
  506    H    GLY  66           HN       GLY  66 -21.528  -1.884  -3.570
  507    HA2  GLY  66           HA2      GLY  66 -20.291  -1.966  -5.578
  508    HA3  GLY  66           HA1      GLY  66 -21.048  -0.444  -6.052
  509    H    CYS  67           HN       CYS  67 -20.281   1.455  -4.488
  510    HA   CYS  67           HA       CYS  67 -17.418   1.688  -4.881
  511    HB2  CYS  67           HB2      CYS  67 -17.776   3.900  -4.509
  512    HB3  CYS  67           HB1      CYS  67 -19.489   3.482  -4.551
  513    H    LYS  68           HN       LYS  68 -15.930   2.254  -3.032
  514    HA   LYS  68           HA       LYS  68 -16.556   1.608  -0.323
  515    HB2  LYS  68           HB2      LYS  68 -15.149  -0.568  -0.301
  516    HB3  LYS  68           HB1      LYS  68 -16.806  -0.675  -0.893
  517    HG2  LYS  68           HG2      LYS  68 -16.147  -0.891  -3.113
  518    HG3  LYS  68           HG1      LYS  68 -14.609  -0.071  -2.840
  519    HD2  LYS  68           HD2      LYS  68 -13.786  -2.011  -1.567
  520    HD3  LYS  68           HD1      LYS  68 -15.328  -2.832  -1.812
  521    HE2  LYS  68           HE2      LYS  68 -14.953  -3.140  -4.101
  522    HE3  LYS  68           HE1      LYS  68 -13.777  -1.829  -4.183
  523    HZ1  LYS  68           HZ1      LYS  68 -12.929  -4.229  -4.213
  524    HZ2  LYS  68           HZ2      LYS  68 -13.256  -4.226  -2.545
  525    HZ3  LYS  68           HZ3      LYS  68 -12.145  -3.119  -3.198
  526    H    ARG  69           HN       ARG  69 -15.061   3.583  -1.768
  527    HA   ARG  69           HA       ARG  69 -12.220   3.007  -1.510
  528    HB2  ARG  69           HB2      ARG  69 -13.713   5.625  -1.853
  529    HB3  ARG  69           HB1      ARG  69 -11.960   5.453  -1.940
  530    HG2  ARG  69           HG2      ARG  69 -12.398   3.670  -3.747
  531    HG3  ARG  69           HG1      ARG  69 -14.042   4.306  -3.803
  532    HD2  ARG  69           HD2      ARG  69 -11.473   5.621  -4.604
  533    HD3  ARG  69           HD1      ARG  69 -13.034   5.625  -5.424
  534    HE   ARG  69           HE       ARG  69 -13.207   7.010  -2.899
  535   HH11  ARG  69          HH21      ARG  69 -12.059   7.208  -6.143
  536   HH12  ARG  69          HH22      ARG  69 -12.173   8.935  -6.219
  537   HH21  ARG  69          HH11      ARG  69 -13.361   9.262  -2.978
  538   HH22  ARG  69          HH12      ARG  69 -12.911  10.098  -4.427
  539    H    THR  70           HN       THR  70 -11.357   2.733   0.496
  540    HA   THR  70           HA       THR  70 -12.551   3.976   2.853
  541    HB   THR  70           HB       THR  70 -10.028   3.038   3.575
  542    HG1  THR  70           HG1      THR  70 -10.537   0.831   2.428
  543   HG21  THR  70          HG21      THR  70 -11.300   1.108   4.475
  544   HG22  THR  70          HG22      THR  70 -12.691   1.603   3.510
  545   HG23  THR  70          HG23      THR  70 -12.098   2.645   4.803
  546    H    TYR  71           HN       TYR  71 -10.847   5.069   4.414
  547    HA   TYR  71           HA       TYR  71  -8.812   6.670   3.080
  548    HB2  TYR  71           HB2      TYR  71 -11.342   7.957   4.134
  549    HB3  TYR  71           HB1      TYR  71  -9.860   8.849   3.785
  550    HD1  TYR  71           HD2      TYR  71  -8.969   8.953   1.464
  551    HD2  TYR  71           HD1      TYR  71 -12.754   7.134   2.359
  552    HE1  TYR  71           HE2      TYR  71  -9.578   9.041  -0.937
  553    HE2  TYR  71           HE1      TYR  71 -13.363   7.218  -0.043
  554    HH   TYR  71           HH       TYR  71 -11.067   7.972  -2.494
  555    H    LEU  72           HN       LEU  72  -8.303   8.545   4.974
  556    HA   LEU  72           HA       LEU  72  -7.938   6.925   7.455
  557    HB2  LEU  72           HB2      LEU  72  -6.157   9.212   7.197
  558    HB3  LEU  72           HB1      LEU  72  -5.766   7.519   7.481
  559    HG   LEU  72           HG       LEU  72  -6.412   8.739   4.777
  560   HD11  LEU  72          HD11      LEU  72  -3.936   8.418   6.319
  561   HD12  LEU  72          HD12      LEU  72  -4.253   9.408   4.894
  562   HD13  LEU  72          HD13      LEU  72  -3.852   7.701   4.710
  563   HD21  LEU  72          HD21      LEU  72  -6.461   6.030   5.731
  564   HD22  LEU  72          HD22      LEU  72  -5.087   6.210   4.642
  565   HD23  LEU  72          HD23      LEU  72  -6.710   6.610   4.085
  566    H    SER  73           HN       SER  73  -9.543   9.611   6.209
  567    HA   SER  73           HA       SER  73 -10.123  10.525   8.972
  568    HB2  SER  73           HB2      SER  73  -9.524  12.580   6.856
  569    HB3  SER  73           HB1      SER  73  -9.560  12.776   8.606
  570    HG   SER  73           HG       SER  73  -7.699  11.415   8.682
  571    H    GLN  74           HN       GLN  74 -12.288  10.744   9.164
  572    HA   GLN  74           HA       GLN  74 -14.187  10.180   7.239
  573    HB2  GLN  74           HB2      GLN  74 -14.431  10.832   9.789
  574    HB3  GLN  74           HB1      GLN  74 -14.776  12.433   9.131
  575    HG2  GLN  74           HG2      GLN  74 -16.911  11.526   9.150
  576    HG3  GLN  74           HG1      GLN  74 -16.388  11.066   7.531
  577   HE21  GLN  74          HE21      GLN  74 -15.391   8.802   7.356
  578   HE22  GLN  74          HE22      GLN  74 -15.985   7.591   8.388
  579    H    ARG  75           HN       ARG  75 -12.346  13.115   7.605
  580    HA   ARG  75           HA       ARG  75 -13.947  14.848   5.996
  581    HB2  ARG  75           HB2      ARG  75 -12.147  15.713   7.394
  582    HB3  ARG  75           HB1      ARG  75 -10.955  14.795   6.474
  583    HG2  ARG  75           HG2      ARG  75 -12.658  16.478   4.781
  584    HG3  ARG  75           HG1      ARG  75 -11.711  17.402   5.947
  585    HD2  ARG  75           HD2      ARG  75 -10.494  15.252   4.203
  586    HD3  ARG  75           HD1      ARG  75 -10.565  16.945   3.714
  587    HE   ARG  75           HE       ARG  75  -9.408  16.740   6.335
  588   HH11  ARG  75          HH21      ARG  75  -8.837  16.134   2.989
  589   HH12  ARG  75          HH22      ARG  75  -7.120  16.333   3.110
  590   HH21  ARG  75          HH11      ARG  75  -7.170  17.004   6.512
  591   HH22  ARG  75          HH12      ARG  75  -6.177  16.826   5.104
  592    H    ASP  76           HN       ASP  76 -11.467  12.461   5.170
  593    HA   ASP  76           HA       ASP  76 -11.455  13.245   2.351
  594    HB2  ASP  76           HB2      ASP  76 -10.108  11.164   4.019
  595    HB3  ASP  76           HB1      ASP  76 -10.229  10.881   2.284
  596    H    LEU  77           HN       LEU  77 -12.861  10.714   4.350
  597    HA   LEU  77           HA       LEU  77 -14.077   9.296   2.146
  598    HB2  LEU  77           HB2      LEU  77 -13.652   8.154   4.264
  599    HB3  LEU  77           HB1      LEU  77 -14.642   9.329   5.124
  600    HG   LEU  77           HG       LEU  77 -16.081   8.146   2.883
  601   HD11  LEU  77          HD11      LEU  77 -14.634   6.212   3.419
  602   HD12  LEU  77          HD12      LEU  77 -16.316   5.904   3.851
  603   HD13  LEU  77          HD13      LEU  77 -15.146   6.311   5.102
  604   HD21  LEU  77          HD21      LEU  77 -16.999   9.463   4.815
  605   HD22  LEU  77          HD22      LEU  77 -16.585   8.115   5.874
  606   HD23  LEU  77          HD23      LEU  77 -17.785   7.900   4.600
  607    H    GLN  78           HN       GLN  78 -14.883  11.963   4.266
  608    HA   GLN  78           HA       GLN  78 -17.669  12.041   3.513
  609    HB2  GLN  78           HB2      GLN  78 -16.866  13.202   5.559
  610    HB3  GLN  78           HB1      GLN  78 -15.908  14.286   4.550
  611    HG2  GLN  78           HG2      GLN  78 -18.009  15.376   5.160
  612    HG3  GLN  78           HG1      GLN  78 -18.012  15.036   3.431
  613   HE21  GLN  78          HE21      GLN  78 -19.373  13.211   2.672
  614   HE22  GLN  78          HE22      GLN  78 -20.631  12.618   3.646
  615    H    ALA  79           HN       ALA  79 -14.648  13.245   2.326
  616    HA   ALA  79           HA       ALA  79 -15.810  14.947   0.276
  617    HB1  ALA  79           HB1      ALA  79 -13.217  13.972  -0.478
  618    HB2  ALA  79           HB2      ALA  79 -13.196  14.342   1.244
  619    HB3  ALA  79           HB3      ALA  79 -13.653  15.585   0.083
  620    H    HIS  80           HN       HIS  80 -15.280  11.546   0.713
  621    HA   HIS  80           HA       HIS  80 -15.184  10.910  -2.128
  622    HB2  HIS  80           HB2      HIS  80 -14.319   9.293  -0.522
  623    HB3  HIS  80           HB1      HIS  80 -15.898   9.172   0.245
  624    HD1  HIS  80           HD1      HIS  80 -14.000   8.089  -2.788
  625    HD2  HIS  80           HD2      HIS  80 -17.857   7.736  -1.256
  626    HE1  HIS  80           HE1      HIS  80 -15.168   6.329  -4.186
  627    H    ILE  81           HN       ILE  81 -17.699  10.917   0.341
  628    HA   ILE  81           HA       ILE  81 -19.861  10.023  -1.265
  629    HB   ILE  81           HB       ILE  81 -20.278  12.161   0.785
  630   HG12  ILE  81          HG12      ILE  81 -18.594  10.857   1.825
  631   HG13  ILE  81          HG11      ILE  81 -20.119  10.361   2.543
  632   HG21  ILE  81          HG21      ILE  81 -21.698   9.576   0.095
  633   HG22  ILE  81          HG22      ILE  81 -22.246  11.216  -0.261
  634   HG23  ILE  81          HG23      ILE  81 -22.169  10.655   1.407
  635   HD11  ILE  81          HD11      ILE  81 -20.022   8.581   0.538
  636   HD12  ILE  81          HD12      ILE  81 -19.244   8.279   2.090
  637   HD13  ILE  81          HD13      ILE  81 -18.290   8.858   0.730
  638    H    ASN  82           HN       ASN  82 -18.824  13.333  -0.522
  639    HA   ASN  82           HA       ASN  82 -20.759  14.529  -2.288
  640    HB2  ASN  82           HB2      ASN  82 -18.173  15.860  -1.517
  641    HB3  ASN  82           HB1      ASN  82 -19.770  16.580  -1.726
  642   HD21  ASN  82          HD21      ASN  82 -17.739  16.241   0.689
  643   HD22  ASN  82          HD22      ASN  82 -18.766  15.770   1.956
  644    H    HIS  83           HN       HIS  83 -17.691  13.020  -2.788
  645    HA   HIS  83           HA       HIS  83 -17.238  14.486  -5.282
  646    HB2  HIS  83           HB2      HIS  83 -15.749  12.304  -3.871
  647    HB3  HIS  83           HB1      HIS  83 -15.344  12.750  -5.524
  648    HD1  HIS  83           HD1      HIS  83 -13.041  13.724  -4.683
  649    HD2  HIS  83           HD2      HIS  83 -16.403  15.664  -3.156
  650    HE1  HIS  83           HE1      HIS  83 -12.217  15.895  -3.668
  651    HE2  HIS  83           HE2      HIS  83 -14.255  17.083  -2.736
  652    H    ARG  84           HN       ARG  84 -18.625  11.357  -4.385
  653    HA   ARG  84           HA       ARG  84 -19.025  10.855  -7.305
  654    HB2  ARG  84           HB2      ARG  84 -18.881   8.507  -5.497
  655    HB3  ARG  84           HB1      ARG  84 -18.345   8.675  -7.162
  656    HG2  ARG  84           HG2      ARG  84 -16.901  10.002  -4.840
  657    HG3  ARG  84           HG1      ARG  84 -16.494   8.404  -5.441
  658    HD2  ARG  84           HD2      ARG  84 -16.710  10.599  -7.449
  659    HD3  ARG  84           HD1      ARG  84 -15.294  10.581  -6.400
  660    HE   ARG  84           HE       ARG  84 -15.438   7.980  -7.309
  661   HH11  ARG  84          HH21      ARG  84 -15.472  11.111  -8.751
  662   HH12  ARG  84          HH22      ARG  84 -14.716  10.590 -10.220
  663   HH21  ARG  84          HH11      ARG  84 -14.451   7.281  -9.219
  664   HH22  ARG  84          HH12      ARG  84 -14.138   8.421 -10.485
  665    H    HIS  85           HN       HIS  85 -20.491  10.871  -4.156
  666    HA   HIS  85           HA       HIS  85 -22.933   9.598  -5.278
  667    HB2  HIS  85           HB2      HIS  85 -22.387  10.291  -2.392
  668    HB3  HIS  85           HB1      HIS  85 -23.605   9.184  -3.021
  669    HD1  HIS  85           HD1      HIS  85 -22.926   6.821  -2.692
  670    HD2  HIS  85           HD2      HIS  85 -19.618   9.253  -3.421
  671    HE1  HIS  85           HE1      HIS  85 -20.900   5.302  -2.665
  672    H    MET  86           HN       MET  86 -21.868  12.408  -3.414
  673    HA   MET  86           HA       MET  86 -22.992  14.429  -2.948
  674    HB2  MET  86           HB2      MET  86 -22.190  14.297  -5.499
  675    HB3  MET  86           HB1      MET  86 -23.927  14.453  -5.773
  676    HG2  MET  86           HG2      MET  86 -23.754  16.382  -3.999
  677    HG3  MET  86           HG1      MET  86 -22.043  16.371  -4.432
  678    HE1  MET  86           HE1      MET  86 -25.352  18.471  -6.457
  679    HE2  MET  86           HE2      MET  86 -24.817  18.327  -4.784
  680    HE3  MET  86           HE3      MET  86 -25.695  16.998  -5.538
  681    H    ARG  87           HN       ARG  87 -24.625  12.046  -2.513
  682    HA   ARG  87           HA       ARG  87 -27.278  12.534  -3.583
  683    HB2  ARG  87           HB2      ARG  87 -26.256  10.332  -2.605
  684    HB3  ARG  87           HB1      ARG  87 -26.758  10.995  -1.049
  685    HG2  ARG  87           HG2      ARG  87 -29.031  11.418  -2.393
  686    HG3  ARG  87           HG1      ARG  87 -28.428  10.054  -3.337
  687    HD2  ARG  87           HD2      ARG  87 -29.606   8.946  -1.662
  688    HD3  ARG  87           HD1      ARG  87 -27.988   8.994  -0.960
  689    HE   ARG  87           HE       ARG  87 -29.581  11.317  -0.233
  690   HH11  ARG  87          HH21      ARG  87 -28.854   8.008   0.405
  691   HH12  ARG  87          HH22      ARG  87 -29.324   8.087   2.070
  692   HH21  ARG  87          HH11      ARG  87 -30.201  11.440   1.937
  693   HH22  ARG  87          HH12      ARG  87 -30.088  10.029   2.938
  694    H    ALA  88           HN       ALA  88 -26.246  12.600  -0.155
  695    HA   ALA  88           HA       ALA  88 -26.751  14.167   1.530
  696    HB1  ALA  88           HB1      ALA  88 -26.461  15.740  -0.657
  697    HB2  ALA  88           HB2      ALA  88 -26.950  16.365   0.918
  698    HB3  ALA  88           HB3      ALA  88 -28.168  16.018  -0.310
  699    H    GLY  89           HN       GLY  89 -28.841  15.326   2.420
  700    HA2  GLY  89           HA2      GLY  89 -31.234  15.332   2.643
  701    HA3  GLY  89           HA1      GLY  89 -31.325  14.054   1.431
  Start of MODEL   18
    1    H1   VAL   1           HT1      VAL   1 -13.739  -4.333   4.228
    2    H2   VAL   1           HT2      VAL   1 -14.738  -5.451   3.429
    3    H3   VAL   1           HT3      VAL   1 -13.080  -5.772   3.617
    4    HA   VAL   1           HA       VAL   1 -14.124  -5.307   6.161
    5    HB   VAL   1           HB       VAL   1 -15.570  -7.613   4.916
    6   HG11  VAL   1          HG11      VAL   1 -15.349  -6.843   7.450
    7   HG12  VAL   1          HG12      VAL   1 -16.868  -7.492   6.831
    8   HG13  VAL   1          HG13      VAL   1 -16.654  -5.748   6.991
    9   HG21  VAL   1          HG21      VAL   1 -16.193  -4.706   4.544
   10   HG22  VAL   1          HG22      VAL   1 -17.533  -5.817   4.822
   11   HG23  VAL   1          HG23      VAL   1 -16.462  -6.057   3.442
   12    H    HIS   2           HN       HIS   2 -14.485  -8.210   6.601
   13    HA   HIS   2           HA       HIS   2 -11.625  -8.919   6.554
   14    HB2  HIS   2           HB2      HIS   2 -12.353 -10.819   8.000
   15    HB3  HIS   2           HB1      HIS   2 -12.766  -9.234   8.656
   16    HD1  HIS   2           HD1      HIS   2 -14.594 -11.060   9.864
   17    HD2  HIS   2           HD2      HIS   2 -15.261  -9.863   5.923
   18    HE1  HIS   2           HE1      HIS   2 -17.037 -11.526   9.376
   19    HE2  HIS   2           HE2      HIS   2 -17.454 -10.802   6.981
   20    H    PHE   3           HN       PHE   3 -12.422  -8.997   4.014
   21    HA   PHE   3           HA       PHE   3 -12.323 -11.849   3.372
   22    HB2  PHE   3           HB2      PHE   3 -14.298 -11.979   2.111
   23    HB3  PHE   3           HB1      PHE   3 -14.790 -11.072   3.538
   24    HD1  PHE   3           HD2      PHE   3 -14.146  -8.385   3.225
   25    HD2  PHE   3           HD1      PHE   3 -15.186 -11.166   0.118
   26    HE1  PHE   3           HE2      PHE   3 -14.864  -6.505   1.782
   27    HE2  PHE   3           HE1      PHE   3 -15.905  -9.283  -1.324
   28    HZ   PHE   3           HZ       PHE   3 -15.744  -6.953  -0.493
   29    H    CYS   4           HN       CYS   4 -10.525 -11.828   2.156
   30    HA   CYS   4           HA       CYS   4  -9.361  -9.747   0.724
   31    HB2  CYS   4           HB2      CYS   4  -8.385 -12.051   1.092
   32    HB3  CYS   4           HB1      CYS   4  -9.415 -12.634  -0.212
   33    H    ASP   5           HN       ASP   5  -9.663  -8.880  -1.366
   34    HA   ASP   5           HA       ASP   5 -12.313  -9.411  -2.526
   35    HB2  ASP   5           HB2      ASP   5 -10.498  -7.179  -2.437
   36    HB3  ASP   5           HB1      ASP   5 -10.909  -7.540  -4.114
   37    H    LYS   6           HN       LYS   6  -8.925 -10.018  -3.305
   38    HA   LYS   6           HA       LYS   6  -9.679 -10.885  -6.021
   39    HB2  LYS   6           HB2      LYS   6  -7.639  -9.567  -5.759
   40    HB3  LYS   6           HB1      LYS   6  -6.979 -10.768  -4.654
   41    HG2  LYS   6           HG2      LYS   6  -7.929 -11.799  -7.270
   42    HG3  LYS   6           HG1      LYS   6  -6.510 -10.760  -7.336
   43    HD2  LYS   6           HD2      LYS   6  -5.181 -12.272  -6.221
   44    HD3  LYS   6           HD1      LYS   6  -6.513 -12.901  -5.254
   45    HE2  LYS   6           HE2      LYS   6  -7.265 -14.309  -6.946
   46    HE3  LYS   6           HE1      LYS   6  -6.482 -13.369  -8.215
   47    HZ1  LYS   6           HZ1      LYS   6  -4.351 -14.126  -7.483
   48    HZ2  LYS   6           HZ2      LYS   6  -5.346 -15.485  -7.712
   49    HZ3  LYS   6           HZ3      LYS   6  -5.027 -14.918  -6.143
   50    H    CYS   7           HN       CYS   7  -8.450 -12.293  -2.998
   51    HA   CYS   7           HA       CYS   7  -8.622 -14.984  -4.230
   52    HB2  CYS   7           HB2      CYS   7  -7.749 -14.806  -1.430
   53    HB3  CYS   7           HB1      CYS   7  -7.006 -15.644  -2.792
   54    H    GLY   8           HN       GLY   8 -10.269 -12.956  -1.926
   55    HA2  GLY   8           HA2      GLY   8 -12.425 -13.347  -1.011
   56    HA3  GLY   8           HA1      GLY   8 -12.390 -14.965  -1.710
   57    H    LEU   9           HN       LEU   9  -9.530 -14.422  -0.007
   58    HA   LEU   9           HA       LEU   9 -10.474 -16.173   2.176
   59    HB2  LEU   9           HB2      LEU   9  -7.856 -15.375   1.041
   60    HB3  LEU   9           HB1      LEU   9  -7.869 -15.611   2.788
   61    HG   LEU   9           HG       LEU   9  -8.854 -17.846   2.491
   62   HD11  LEU   9          HD11      LEU   9 -10.139 -17.844   0.562
   63   HD12  LEU   9          HD12      LEU   9  -8.682 -18.634  -0.043
   64   HD13  LEU   9          HD13      LEU   9  -8.949 -16.919  -0.353
   65   HD21  LEU   9          HD21      LEU   9  -6.327 -17.165   0.992
   66   HD22  LEU   9          HD22      LEU   9  -6.885 -18.833   1.112
   67   HD23  LEU   9          HD23      LEU   9  -6.494 -17.925   2.573
   68    HA   PRO  10           HA       PRO  10 -11.209 -12.933   5.073
   69    HB2  PRO  10           HB2      PRO  10  -9.912 -13.917   7.332
   70    HB3  PRO  10           HB1      PRO  10 -11.581 -14.266   6.848
   71    HG2  PRO  10           HG2      PRO  10  -9.138 -15.908   6.515
   72    HG3  PRO  10           HG1      PRO  10 -10.816 -16.413   6.769
   73    HD2  PRO  10           HD2      PRO  10  -9.592 -16.579   4.338
   74    HD3  PRO  10           HD1      PRO  10 -11.338 -16.289   4.511
   75    H    ILE  11           HN       ILE  11 -10.260 -11.020   5.578
   76    HA   ILE  11           HA       ILE  11  -7.391 -10.713   5.030
   77    HB   ILE  11           HB       ILE  11  -9.504  -8.673   5.780
   78   HG12  ILE  11          HG12      ILE  11  -8.310  -9.225   3.066
   79   HG13  ILE  11          HG11      ILE  11  -9.798 -10.000   3.610
   80   HG21  ILE  11          HG21      ILE  11  -7.358  -7.609   4.229
   81   HG22  ILE  11          HG22      ILE  11  -6.666  -8.480   5.594
   82   HG23  ILE  11          HG23      ILE  11  -7.826  -7.184   5.875
   83   HD11  ILE  11          HD11      ILE  11 -11.013  -8.118   3.321
   84   HD12  ILE  11          HD12      ILE  11  -9.649  -7.532   2.372
   85   HD13  ILE  11          HD13      ILE  11  -9.782  -7.108   4.077
   86    H    LYS  12           HN       LYS  12  -5.960 -11.007   6.650
   87    HA   LYS  12           HA       LYS  12  -6.797 -10.802   9.457
   88    HB2  LYS  12           HB2      LYS  12  -4.170 -11.144   9.696
   89    HB3  LYS  12           HB1      LYS  12  -5.216 -12.495   9.257
   90    HG2  LYS  12           HG2      LYS  12  -4.604 -12.401   6.993
   91    HG3  LYS  12           HG1      LYS  12  -4.032 -10.737   7.119
   92    HD2  LYS  12           HD2      LYS  12  -2.184 -12.441   6.966
   93    HD3  LYS  12           HD1      LYS  12  -2.105 -11.430   8.408
   94    HE2  LYS  12           HE2      LYS  12  -2.963 -13.155   9.798
   95    HE3  LYS  12           HE1      LYS  12  -3.507 -14.105   8.415
   96    HZ1  LYS  12           HZ1      LYS  12  -0.677 -13.480   8.470
   97    HZ2  LYS  12           HZ2      LYS  12  -1.465 -14.928   8.061
   98    HZ3  LYS  12           HZ3      LYS  12  -1.208 -14.529   9.692
   99    H    VAL  13           HN       VAL  13  -5.129  -8.892   7.054
  100    HA   VAL  13           HA       VAL  13  -5.133  -6.598   8.914
  101    HB   VAL  13           HB       VAL  13  -2.698  -7.030   7.259
  102   HG11  VAL  13          HG11      VAL  13  -3.220  -5.765   9.963
  103   HG12  VAL  13          HG12      VAL  13  -3.019  -4.904   8.438
  104   HG13  VAL  13          HG13      VAL  13  -1.660  -5.781   9.142
  105   HG21  VAL  13          HG21      VAL  13  -1.627  -8.200   9.211
  106   HG22  VAL  13          HG22      VAL  13  -2.868  -9.161   8.410
  107   HG23  VAL  13          HG23      VAL  13  -3.228  -8.350   9.933
  108    H    TYR  14           HN       TYR  14  -5.328  -4.616   7.739
  109    HA   TYR  14           HA       TYR  14  -6.378  -4.966   5.043
  110    HB2  TYR  14           HB2      TYR  14  -6.083  -2.665   6.916
  111    HB3  TYR  14           HB1      TYR  14  -6.351  -2.346   5.207
  112    HD1  TYR  14           HD1      TYR  14  -7.674  -5.244   7.159
  113    HD2  TYR  14           HD2      TYR  14  -8.568  -1.515   5.231
  114    HE1  TYR  14           HE1      TYR  14 -10.093  -5.678   7.447
  115    HE2  TYR  14           HE2      TYR  14 -10.991  -1.944   5.525
  116    HH   TYR  14           HH       TYR  14 -12.509  -3.706   5.907
  117    H    GLY  15           HN       GLY  15  -4.753  -5.506   3.637
  118    HA2  GLY  15           HA2      GLY  15  -2.190  -4.154   3.599
  119    HA3  GLY  15           HA1      GLY  15  -2.803  -5.233   2.338
  120    H    ARG  16           HN       ARG  16  -2.938  -1.986   3.600
  121    HA   ARG  16           HA       ARG  16  -4.723  -0.870   1.676
  122    HB2  ARG  16           HB2      ARG  16  -4.044   0.305   3.751
  123    HB3  ARG  16           HB1      ARG  16  -2.418   0.498   3.097
  124    HG2  ARG  16           HG2      ARG  16  -3.041   2.274   1.854
  125    HG3  ARG  16           HG1      ARG  16  -4.435   1.408   1.207
  126    HD2  ARG  16           HD2      ARG  16  -5.756   1.954   3.167
  127    HD3  ARG  16           HD1      ARG  16  -4.354   2.672   3.961
  128    HE   ARG  16           HE       ARG  16  -6.013   3.958   1.951
  129   HH11  ARG  16          HH21      ARG  16  -2.861   3.662   3.316
  130   HH12  ARG  16          HH22      ARG  16  -2.369   5.258   2.861
  131   HH21  ARG  16          HH11      ARG  16  -5.388   6.046   1.347
  132   HH22  ARG  16          HH12      ARG  16  -3.799   6.608   1.746
  133    H    MET  17           HN       MET  17  -4.365   0.153  -0.286
  134    HA   MET  17           HA       MET  17  -1.667  -0.239  -1.521
  135    HB2  MET  17           HB2      MET  17  -4.285  -0.449  -3.008
  136    HB3  MET  17           HB1      MET  17  -2.692  -0.986  -3.525
  137    HG2  MET  17           HG2      MET  17  -2.929  -2.416  -1.247
  138    HG3  MET  17           HG1      MET  17  -4.627  -2.283  -1.693
  139    HE1  MET  17           HE1      MET  17  -1.165  -2.657  -3.074
  140    HE2  MET  17           HE2      MET  17  -1.184  -4.096  -4.085
  141    HE3  MET  17           HE3      MET  17  -1.323  -4.254  -2.339
  142    H    ILE  18           HN       ILE  18  -0.877   1.554  -2.549
  143    HA   ILE  18           HA       ILE  18  -2.765   3.798  -3.100
  144    HB   ILE  18           HB       ILE  18  -0.354   5.049  -2.853
  145   HG12  ILE  18          HG12      ILE  18  -0.360   2.823  -0.802
  146   HG13  ILE  18          HG11      ILE  18   0.723   2.933  -2.193
  147   HG21  ILE  18          HG21      ILE  18  -2.511   5.648  -1.720
  148   HG22  ILE  18          HG22      ILE  18  -1.130   5.769  -0.636
  149   HG23  ILE  18          HG23      ILE  18  -2.207   4.376  -0.538
  150   HD11  ILE  18          HD11      ILE  18   0.530   4.866   0.131
  151   HD12  ILE  18          HD12      ILE  18   1.473   5.179  -1.325
  152   HD13  ILE  18          HD13      ILE  18   1.895   3.827  -0.274
  153    HA   PRO  19           HA       PRO  19  -2.287   5.870  -4.020
  154    HB2  PRO  19           HB2      PRO  19  -3.103   7.125  -6.268
  155    HB3  PRO  19           HB1      PRO  19  -1.424   7.213  -5.702
  156    HG2  PRO  19           HG2      PRO  19  -2.598   5.604  -7.900
  157    HG3  PRO  19           HG1      PRO  19  -1.012   6.383  -7.788
  158    HD2  PRO  19           HD2      PRO  19  -1.502   3.665  -7.346
  159    HD3  PRO  19           HD1      PRO  19  -0.058   4.547  -6.814
  160    H    CYS  20           HN       CYS  20  -3.418   3.184  -5.528
  161    HA   CYS  20           HA       CYS  20  -6.063   3.746  -6.337
  162    HB2  CYS  20           HB2      CYS  20  -4.525   1.482  -6.102
  163    HB3  CYS  20           HB1      CYS  20  -5.722   1.234  -4.833
  164    H    LYS  21           HN       LYS  21  -4.727   3.158  -3.120
  165    HA   LYS  21           HA       LYS  21  -5.606   3.750  -1.021
  166    HB2  LYS  21           HB2      LYS  21  -6.794   5.578  -2.651
  167    HB3  LYS  21           HB1      LYS  21  -8.210   4.677  -2.107
  168    HG2  LYS  21           HG2      LYS  21  -7.506   5.005   0.244
  169    HG3  LYS  21           HG1      LYS  21  -6.115   5.936  -0.311
  170    HD2  LYS  21           HD2      LYS  21  -8.514   6.952  -1.545
  171    HD3  LYS  21           HD1      LYS  21  -8.723   6.900   0.205
  172    HE2  LYS  21           HE2      LYS  21  -6.358   8.152  -1.222
  173    HE3  LYS  21           HE1      LYS  21  -7.718   9.046  -0.544
  174    HZ1  LYS  21           HZ1      LYS  21  -5.422   8.138   0.765
  175    HZ2  LYS  21           HZ2      LYS  21  -6.746   7.288   1.406
  176    HZ3  LYS  21           HZ3      LYS  21  -6.736   8.987   1.422
  177    H    HIS  22           HN       HIS  22  -6.066   1.272  -2.588
  178    HA   HIS  22           HA       HIS  22  -8.699   0.380  -1.520
  179    HB2  HIS  22           HB2      HIS  22  -6.821  -0.687  -3.616
  180    HB3  HIS  22           HB1      HIS  22  -8.034  -1.739  -2.891
  181    HD2  HIS  22           HD2      HIS  22 -10.621   0.255  -2.843
  182    HE1  HIS  22           HE1      HIS  22  -9.835   0.880  -6.944
  183    HE2  HIS  22           HE2      HIS  22 -11.576   1.109  -5.114
  184    H    VAL  23           HN       VAL  23  -8.514  -2.113  -0.791
  185    HA   VAL  23           HA       VAL  23  -5.996  -2.558   0.687
  186    HB   VAL  23           HB       VAL  23  -6.865  -2.546   2.814
  187   HG11  VAL  23          HG11      VAL  23  -8.304  -0.601   3.092
  188   HG12  VAL  23          HG12      VAL  23  -8.779  -0.674   1.397
  189   HG13  VAL  23          HG13      VAL  23  -7.117  -0.279   1.832
  190   HG21  VAL  23          HG21      VAL  23  -9.424  -2.724   3.165
  191   HG22  VAL  23          HG22      VAL  23  -8.569  -4.182   2.669
  192   HG23  VAL  23          HG23      VAL  23  -9.487  -3.248   1.484
  193    H    PHE  24           HN       PHE  24  -5.701  -4.728   1.372
  194    HA   PHE  24           HA       PHE  24  -7.726  -6.737   0.636
  195    HB2  PHE  24           HB2      PHE  24  -4.964  -6.789  -0.625
  196    HB3  PHE  24           HB1      PHE  24  -6.255  -7.968  -0.874
  197    HD1  PHE  24           HD2      PHE  24  -5.130  -4.536  -1.540
  198    HD2  PHE  24           HD1      PHE  24  -8.182  -7.457  -2.259
  199    HE1  PHE  24           HE2      PHE  24  -6.051  -3.118  -3.351
  200    HE2  PHE  24           HE1      PHE  24  -9.111  -6.046  -4.068
  201    HZ   PHE  24           HZ       PHE  24  -8.046  -3.874  -4.622
  202    H    CYS  25           HN       CYS  25  -6.128  -8.987   0.809
  203    HA   CYS  25           HA       CYS  25  -5.501  -9.004   3.652
  204    HB2  CYS  25           HB2      CYS  25  -4.497 -11.312   2.965
  205    HB3  CYS  25           HB1      CYS  25  -6.244 -11.092   2.811
  206    H    TYR  26           HN       TYR  26  -3.686  -7.955   4.334
  207    HA   TYR  26           HA       TYR  26  -1.562  -7.119   2.704
  208    HB2  TYR  26           HB2      TYR  26  -1.982  -6.372   5.068
  209    HB3  TYR  26           HB1      TYR  26  -1.321  -7.910   5.614
  210    HD1  TYR  26           HD2      TYR  26  -0.287  -5.293   3.061
  211    HD2  TYR  26           HD1      TYR  26   0.842  -7.744   6.412
  212    HE1  TYR  26           HE2      TYR  26   2.006  -4.385   2.959
  213    HE2  TYR  26           HE1      TYR  26   3.137  -6.826   6.304
  214    HH   TYR  26           HH       TYR  26   4.377  -5.081   5.447
  215    H    ASP  27           HN       ASP  27  -2.366 -10.291   3.540
  216    HA   ASP  27           HA       ASP  27   0.344 -11.356   3.478
  217    HB2  ASP  27           HB2      ASP  27  -1.916 -12.381   4.467
  218    HB3  ASP  27           HB1      ASP  27  -2.011 -13.082   2.851
  219    H    CYS  28           HN       CYS  28  -2.383 -11.327   1.173
  220    HA   CYS  28           HA       CYS  28  -0.669 -12.429  -0.916
  221    HB2  CYS  28           HB2      CYS  28  -3.352 -11.070  -1.292
  222    HB3  CYS  28           HB1      CYS  28  -2.570 -12.208  -2.385
  223    H    ALA  29           HN       ALA  29  -1.552  -9.295   0.283
  224    HA   ALA  29           HA       ALA  29  -0.839  -7.784  -2.037
  225    HB1  ALA  29           HB1      ALA  29  -1.373  -5.993  -0.727
  226    HB2  ALA  29           HB2      ALA  29  -0.350  -6.546   0.601
  227    HB3  ALA  29           HB3      ALA  29  -1.969  -7.212   0.397
  228    H    ILE  30           HN       ILE  30   1.009  -9.077   0.711
  229    HA   ILE  30           HA       ILE  30   3.428  -7.703  -0.176
  230    HB   ILE  30           HB       ILE  30   4.539  -8.846   1.638
  231   HG12  ILE  30          HG12      ILE  30   1.996 -10.384   2.170
  232   HG13  ILE  30          HG11      ILE  30   3.349 -11.088   1.297
  233   HG21  ILE  30          HG21      ILE  30   1.943  -7.507   2.024
  234   HG22  ILE  30          HG22      ILE  30   3.520  -7.130   2.700
  235   HG23  ILE  30          HG23      ILE  30   2.536  -8.399   3.420
  236   HD11  ILE  30          HD11      ILE  30   4.818 -10.534   3.250
  237   HD12  ILE  30          HD12      ILE  30   3.555 -11.708   3.622
  238   HD13  ILE  30          HD13      ILE  30   3.376 -10.028   4.129
  239    H    LEU  31           HN       LEU  31   1.955 -10.881  -0.529
  240    HA   LEU  31           HA       LEU  31   4.295 -12.137  -1.679
  241    HB2  LEU  31           HB2      LEU  31   1.340 -12.716  -1.988
  242    HB3  LEU  31           HB1      LEU  31   2.586 -13.708  -2.730
  243    HG   LEU  31           HG       LEU  31   2.424 -13.120   0.242
  244   HD11  LEU  31          HD11      LEU  31   1.965 -15.837  -0.190
  245   HD12  LEU  31          HD12      LEU  31   1.003 -15.036  -1.432
  246   HD13  LEU  31          HD13      LEU  31   0.756 -14.637   0.267
  247   HD21  LEU  31          HD21      LEU  31   3.866 -15.441  -0.127
  248   HD22  LEU  31          HD22      LEU  31   4.573 -13.847   0.126
  249   HD23  LEU  31          HD23      LEU  31   4.375 -14.472  -1.509
  250    H    HIS  32           HN       HIS  32   1.930  -9.881  -2.828
  251    HA   HIS  32           HA       HIS  32   2.460 -10.340  -5.655
  252    HB2  HIS  32           HB2      HIS  32   0.848  -8.440  -4.037
  253    HB3  HIS  32           HB1      HIS  32   1.380  -7.865  -5.617
  254    HD1  HIS  32           HD1      HIS  32  -0.925  -8.046  -6.752
  255    HD2  HIS  32           HD2      HIS  32   0.370 -11.643  -5.081
  256    HE1  HIS  32           HE1      HIS  32  -2.497  -9.841  -7.606
  257    HE2  HIS  32           HE2      HIS  32  -1.718 -12.033  -6.594
  258    H    GLU  33           HN       GLU  33   3.291  -7.720  -3.368
  259    HA   GLU  33           HA       GLU  33   5.085  -6.420  -5.221
  260    HB2  GLU  33           HB2      GLU  33   5.575  -4.941  -3.488
  261    HB3  GLU  33           HB1      GLU  33   3.981  -5.519  -3.020
  262    HG2  GLU  33           HG2      GLU  33   5.278  -7.362  -1.719
  263    HG3  GLU  33           HG1      GLU  33   6.662  -6.283  -1.888
  264    H    LYS  34           HN       LYS  34   5.440  -9.101  -3.025
  265    HA   LYS  34           HA       LYS  34   8.354  -8.981  -2.973
  266    HB2  LYS  34           HB2      LYS  34   6.322 -11.051  -2.120
  267    HB3  LYS  34           HB1      LYS  34   8.056 -11.366  -2.057
  268    HG2  LYS  34           HG2      LYS  34   8.420  -9.568  -0.518
  269    HG3  LYS  34           HG1      LYS  34   6.787  -8.946  -0.757
  270    HD2  LYS  34           HD2      LYS  34   5.827 -10.558   0.578
  271    HD3  LYS  34           HD1      LYS  34   7.047 -11.767   0.175
  272    HE2  LYS  34           HE2      LYS  34   7.735  -9.328   1.814
  273    HE3  LYS  34           HE1      LYS  34   7.099 -10.792   2.565
  274    HZ1  LYS  34           HZ1      LYS  34   9.674 -10.402   2.166
  275    HZ2  LYS  34           HZ2      LYS  34   9.293 -11.123   0.675
  276    HZ3  LYS  34           HZ3      LYS  34   8.974 -11.947   2.127
  277    H    LYS  35           HN       LYS  35   5.854 -10.639  -4.819
  278    HA   LYS  35           HA       LYS  35   7.799 -12.248  -6.284
  279    HB2  LYS  35           HB2      LYS  35   4.824 -11.853  -6.425
  280    HB3  LYS  35           HB1      LYS  35   5.667 -12.642  -7.759
  281    HG2  LYS  35           HG2      LYS  35   6.493 -14.378  -6.334
  282    HG3  LYS  35           HG1      LYS  35   6.000 -13.509  -4.880
  283    HD2  LYS  35           HD2      LYS  35   3.650 -13.787  -5.455
  284    HD3  LYS  35           HD1      LYS  35   4.084 -14.535  -6.993
  285    HE2  LYS  35           HE2      LYS  35   5.229 -16.362  -5.751
  286    HE3  LYS  35           HE1      LYS  35   4.698 -15.635  -4.235
  287    HZ1  LYS  35           HZ1      LYS  35   3.292 -17.402  -5.832
  288    HZ2  LYS  35           HZ2      LYS  35   2.514 -15.903  -6.006
  289    HZ3  LYS  35           HZ3      LYS  35   2.724 -16.578  -4.462
  290    H    GLY  36           HN       GLY  36   6.997  -9.041  -6.361
  291    HA2  GLY  36           HA2      GLY  36   7.748  -7.405  -7.911
  292    HA3  GLY  36           HA1      GLY  36   8.195  -8.704  -9.018
  293    H    ASP  37           HN       ASP  37   5.018  -8.656  -7.594
  294    HA   ASP  37           HA       ASP  37   3.823  -8.490 -10.254
  295    HB2  ASP  37           HB2      ASP  37   3.078  -9.611  -7.783
  296    HB3  ASP  37           HB1      ASP  37   1.906  -8.330  -8.091
  297    H    LYS  38           HN       LYS  38   4.115  -6.440  -7.399
  298    HA   LYS  38           HA       LYS  38   3.220  -4.309  -6.953
  299    HB2  LYS  38           HB2      LYS  38   4.098  -2.693  -8.778
  300    HB3  LYS  38           HB1      LYS  38   5.272  -3.635  -7.865
  301    HG2  LYS  38           HG2      LYS  38   5.462  -5.252  -9.663
  302    HG3  LYS  38           HG1      LYS  38   4.158  -4.464 -10.553
  303    HD2  LYS  38           HD2      LYS  38   6.479  -2.775  -9.763
  304    HD3  LYS  38           HD1      LYS  38   6.717  -3.925 -11.081
  305    HE2  LYS  38           HE2      LYS  38   4.785  -3.003 -12.271
  306    HE3  LYS  38           HE1      LYS  38   4.474  -1.890 -10.940
  307    HZ1  LYS  38           HZ1      LYS  38   6.392  -0.690 -11.389
  308    HZ2  LYS  38           HZ2      LYS  38   5.789  -1.038 -12.938
  309    HZ3  LYS  38           HZ3      LYS  38   7.089  -1.933 -12.309
  310    H    MET  39           HN       MET  39   1.173  -5.812  -7.907
  311    HA   MET  39           HA       MET  39  -0.325  -3.851  -9.578
  312    HB2  MET  39           HB2      MET  39  -1.235  -5.512 -10.940
  313    HB3  MET  39           HB1      MET  39   0.408  -6.109 -10.710
  314    HG2  MET  39           HG2      MET  39  -0.549  -7.369  -8.661
  315    HG3  MET  39           HG1      MET  39  -2.131  -7.044  -9.373
  316    HE1  MET  39           HE1      MET  39  -2.663  -9.475 -11.992
  317    HE2  MET  39           HE2      MET  39  -2.944  -7.782 -11.597
  318    HE3  MET  39           HE3      MET  39  -3.174  -9.017 -10.362
  319    H    CYS  40           HN       CYS  40  -2.475  -3.518  -8.924
  320    HA   CYS  40           HA       CYS  40  -3.106  -4.240  -6.180
  321    HB2  CYS  40           HB2      CYS  40  -3.744  -2.066  -7.223
  322    HB3  CYS  40           HB1      CYS  40  -4.863  -2.934  -8.272
  323    HA   PRO  41           HA       PRO  41  -4.857  -8.269  -7.519
  324    HB2  PRO  41           HB2      PRO  41  -6.143  -8.046  -4.833
  325    HB3  PRO  41           HB1      PRO  41  -5.269  -9.411  -5.554
  326    HG2  PRO  41           HG2      PRO  41  -4.171  -7.877  -3.680
  327    HG3  PRO  41           HG1      PRO  41  -3.219  -8.554  -5.011
  328    HD2  PRO  41           HD2      PRO  41  -4.114  -5.752  -4.580
  329    HD3  PRO  41           HD1      PRO  41  -2.679  -6.366  -5.422
  330    H    GLY  42           HN       GLY  42  -6.510  -5.400  -6.555
  331    HA2  GLY  42           HA2      GLY  42  -9.158  -6.512  -7.339
  332    HA3  GLY  42           HA1      GLY  42  -8.897  -4.977  -6.513
  333    H    CYS  43           HN       CYS  43  -7.381  -3.450  -7.941
  334    HA   CYS  43           HA       CYS  43  -8.783  -3.228 -10.523
  335    HB2  CYS  43           HB2      CYS  43  -6.739  -1.234  -9.656
  336    HB3  CYS  43           HB1      CYS  43  -8.285  -0.976 -10.464
  337    H    SER  44           HN       SER  44  -5.698  -4.177  -9.292
  338    HA   SER  44           HA       SER  44  -3.858  -5.090 -10.447
  339    HB2  SER  44           HB2      SER  44  -4.238  -5.991 -12.525
  340    HB3  SER  44           HB1      SER  44  -5.916  -5.653 -12.107
  341    HG   SER  44           HG       SER  44  -4.225  -4.413 -13.917
  342    H    ASP  45           HN       ASP  45  -4.109  -2.277  -9.775
  343    HA   ASP  45           HA       ASP  45  -2.767  -0.915 -12.042
  344    HB2  ASP  45           HB2      ASP  45  -3.911   0.887 -11.326
  345    HB3  ASP  45           HB1      ASP  45  -4.600  -0.079 -10.021
  346    HA   PRO  46           HA       PRO  46   1.236  -1.148 -10.229
  347    HB2  PRO  46           HB2      PRO  46   2.157   1.455 -10.476
  348    HB3  PRO  46           HB1      PRO  46   2.133   0.265 -11.789
  349    HG2  PRO  46           HG2      PRO  46   0.247   2.487 -11.215
  350    HG3  PRO  46           HG1      PRO  46   0.826   1.865 -12.769
  351    HD2  PRO  46           HD2      PRO  46  -1.649   1.278 -11.798
  352    HD3  PRO  46           HD1      PRO  46  -0.734   0.148 -12.821
  353    H    VAL  47           HN       VAL  47   0.268  -1.488  -8.032
  354    HA   VAL  47           HA       VAL  47  -0.373   0.561  -6.210
  355    HB   VAL  47           HB       VAL  47  -0.016  -1.003  -4.456
  356   HG11  VAL  47          HG11      VAL  47  -1.318  -1.744  -6.915
  357   HG12  VAL  47          HG12      VAL  47  -1.762  -2.159  -5.274
  358   HG13  VAL  47          HG13      VAL  47  -0.643  -3.184  -6.163
  359   HG21  VAL  47          HG21      VAL  47   1.200  -3.228  -5.163
  360   HG22  VAL  47          HG22      VAL  47   2.150  -1.832  -4.663
  361   HG23  VAL  47          HG23      VAL  47   1.956  -2.200  -6.378
  362    H    GLN  48           HN       GLN  48   0.900   2.326  -5.832
  363    HA   GLN  48           HA       GLN  48   3.682   2.460  -6.344
  364    HB2  GLN  48           HB2      GLN  48   2.138   4.438  -6.085
  365    HB3  GLN  48           HB1      GLN  48   2.169   4.159  -4.344
  366    HG2  GLN  48           HG2      GLN  48   3.995   5.500  -4.330
  367    HG3  GLN  48           HG1      GLN  48   4.855   4.126  -5.026
  368   HE21  GLN  48          HE21      GLN  48   3.516   7.296  -5.722
  369   HE22  GLN  48          HE22      GLN  48   4.056   7.382  -7.329
  370    H    ARG  49           HN       ARG  49   1.953   2.153  -3.239
  371    HA   ARG  49           HA       ARG  49   4.147   0.467  -2.281
  372    HB2  ARG  49           HB2      ARG  49   3.754   2.405  -0.199
  373    HB3  ARG  49           HB1      ARG  49   5.249   1.963  -1.016
  374    HG2  ARG  49           HG2      ARG  49   4.893   3.607  -2.735
  375    HG3  ARG  49           HG1      ARG  49   3.248   3.923  -2.180
  376    HD2  ARG  49           HD2      ARG  49   4.186   4.701   0.000
  377    HD3  ARG  49           HD1      ARG  49   5.805   4.509  -0.672
  378    HE   ARG  49           HE       ARG  49   4.206   6.165  -2.399
  379   HH11  ARG  49          HH21      ARG  49   5.882   6.065   0.612
  380   HH12  ARG  49          HH22      ARG  49   6.210   7.765   0.638
  381   HH21  ARG  49          HH11      ARG  49   4.624   8.385  -2.383
  382   HH22  ARG  49          HH12      ARG  49   5.498   9.079  -1.058
  383    H    ILE  50           HN       ILE  50   3.232  -1.122  -1.098
  384    HA   ILE  50           HA       ILE  50   0.453  -0.789  -0.251
  385    HB   ILE  50           HB       ILE  50   2.072  -3.192   0.476
  386   HG12  ILE  50          HG12      ILE  50   1.007  -2.587  -2.300
  387   HG13  ILE  50          HG11      ILE  50   2.702  -2.707  -1.859
  388   HG21  ILE  50          HG21      ILE  50  -0.313  -2.876   1.142
  389   HG22  ILE  50          HG22      ILE  50  -0.056  -4.294   0.132
  390   HG23  ILE  50          HG23      ILE  50  -0.744  -2.833  -0.567
  391   HD11  ILE  50          HD11      ILE  50   2.473  -5.046  -1.305
  392   HD12  ILE  50          HD12      ILE  50   1.783  -4.799  -2.908
  393   HD13  ILE  50          HD13      ILE  50   0.726  -4.982  -1.516
  394    H    GLU  51           HN       GLU  51  -0.239  -0.806   1.841
  395    HA   GLU  51           HA       GLU  51   1.822  -0.830   3.984
  396    HB2  GLU  51           HB2      GLU  51  -0.343   1.272   3.817
  397    HB3  GLU  51           HB1      GLU  51   1.001   1.202   4.960
  398    HG2  GLU  51           HG2      GLU  51   2.586   1.348   3.041
  399    HG3  GLU  51           HG1      GLU  51   1.206   1.563   1.963
  400    H    GLN  52           HN       GLN  52   1.038  -1.456   6.013
  401    HA   GLN  52           HA       GLN  52  -1.475  -3.011   5.865
  402    HB2  GLN  52           HB2      GLN  52  -0.649  -4.302   7.638
  403    HB3  GLN  52           HB1      GLN  52   0.815  -3.893   6.744
  404    HG2  GLN  52           HG2      GLN  52   0.937  -1.826   8.312
  405    HG3  GLN  52           HG1      GLN  52  -0.197  -2.718   9.328
  406   HE21  GLN  52          HE21      GLN  52   0.534  -5.002   9.960
  407   HE22  GLN  52          HE22      GLN  52   2.197  -5.270  10.177
  408    H    CYS  53           HN       CYS  53  -3.234  -2.618   7.204
  409    HA   CYS  53           HA       CYS  53  -3.016  -0.460   9.225
  410    HB2  CYS  53           HB2      CYS  53  -4.321  -0.221   6.643
  411    HB3  CYS  53           HB1      CYS  53  -5.475  -0.004   7.959
  412    H    THR  54           HN       THR  54  -4.916  -0.441  10.689
  413    HA   THR  54           HA       THR  54  -5.790  -3.151  11.290
  414    HB   THR  54           HB       THR  54  -7.332  -1.301  12.778
  415    HG1  THR  54           HG1      THR  54  -6.117   0.383  12.964
  416   HG21  THR  54          HG21      THR  54  -6.363  -3.411  13.596
  417   HG22  THR  54          HG22      THR  54  -5.882  -2.061  14.625
  418   HG23  THR  54          HG23      THR  54  -4.744  -2.727  13.453
  419    H    ARG  55           HN       ARG  55  -8.087  -3.771  11.433
  420    HA   ARG  55           HA       ARG  55  -9.531  -3.289   9.062
  421    HB2  ARG  55           HB2      ARG  55 -10.030  -5.235  10.406
  422    HB3  ARG  55           HB1      ARG  55 -10.500  -4.225  11.773
  423    HG2  ARG  55           HG2      ARG  55 -12.510  -3.599  10.798
  424    HG3  ARG  55           HG1      ARG  55 -11.906  -3.834   9.158
  425    HD2  ARG  55           HD2      ARG  55 -13.577  -5.578   9.959
  426    HD3  ARG  55           HD1      ARG  55 -12.050  -6.219   9.352
  427    HE   ARG  55           HE       ARG  55 -11.627  -7.042  11.516
  428   HH11  ARG  55          HH21      ARG  55 -13.934  -4.480  11.546
  429   HH12  ARG  55          HH22      ARG  55 -14.264  -4.619  13.240
  430   HH21  ARG  55          HH11      ARG  55 -12.046  -7.239  13.729
  431   HH22  ARG  55          HH12      ARG  55 -13.196  -6.181  14.476
  432    H    GLY  56           HN       GLY  56 -10.742  -2.237  12.255
  433    HA2  GLY  56           HA2      GLY  56 -12.394  -0.198  11.050
  434    HA3  GLY  56           HA1      GLY  56 -12.083  -0.378  12.777
  435    H    SER  57           HN       SER  57  -9.479  -0.015  10.420
  436    HA   SER  57           HA       SER  57  -8.645   2.427  11.849
  437    HB2  SER  57           HB2      SER  57  -7.096   0.479  11.079
  438    HB3  SER  57           HB1      SER  57  -7.202   1.233   9.491
  439    HG   SER  57           HG       SER  57  -5.783   2.599  10.192
  440    H    LEU  58           HN       LEU  58 -10.064   1.474   8.812
  441    HA   LEU  58           HA       LEU  58  -9.714   4.225   7.734
  442    HB2  LEU  58           HB2      LEU  58 -10.968   1.939   6.237
  443    HB3  LEU  58           HB1      LEU  58 -10.121   3.350   5.606
  444    HG   LEU  58           HG       LEU  58  -8.873   1.036   7.114
  445   HD11  LEU  58          HD11      LEU  58  -7.709   0.643   4.984
  446   HD12  LEU  58          HD12      LEU  58  -8.544   2.019   4.261
  447   HD13  LEU  58          HD13      LEU  58  -9.457   0.590   4.744
  448   HD21  LEU  58          HD21      LEU  58  -6.767   2.405   6.218
  449   HD22  LEU  58          HD22      LEU  58  -7.510   2.796   7.769
  450   HD23  LEU  58          HD23      LEU  58  -7.892   3.758   6.342
  451    H    PHE  59           HN       PHE  59 -11.749   4.956   6.426
  452    HA   PHE  59           HA       PHE  59 -14.180   4.438   8.090
  453    HB2  PHE  59           HB2      PHE  59 -12.811   6.811   7.906
  454    HB3  PHE  59           HB1      PHE  59 -14.048   7.003   6.665
  455    HD1  PHE  59           HD2      PHE  59 -16.441   5.945   7.468
  456    HD2  PHE  59           HD1      PHE  59 -13.403   7.586  10.024
  457    HE1  PHE  59           HE2      PHE  59 -18.146   6.373   9.220
  458    HE2  PHE  59           HE1      PHE  59 -15.107   8.014  11.775
  459    HZ   PHE  59           HZ       PHE  59 -17.478   7.407  11.372
  460    H    MET  60           HN       MET  60 -15.505   3.208   6.834
  461    HA   MET  60           HA       MET  60 -15.452   3.315   3.933
  462    HB2  MET  60           HB2      MET  60 -17.482   2.038   5.787
  463    HB3  MET  60           HB1      MET  60 -17.310   1.717   4.062
  464    HG2  MET  60           HG2      MET  60 -14.734   1.362   5.071
  465    HG3  MET  60           HG1      MET  60 -15.777   0.646   6.301
  466    HE1  MET  60           HE1      MET  60 -14.202  -1.334   5.598
  467    HE2  MET  60           HE2      MET  60 -13.587  -0.750   4.053
  468    HE3  MET  60           HE3      MET  60 -14.396  -2.312   4.136
  469    H    CYS  61           HN       CYS  61 -16.966   4.229   2.544
  470    HA   CYS  61           HA       CYS  61 -18.525   6.477   3.636
  471    HB2  CYS  61           HB2      CYS  61 -17.311   6.879   1.577
  472    HB3  CYS  61           HB1      CYS  61 -18.055   5.476   0.812
  473    H    SER  62           HN       SER  62 -20.794   6.580   3.638
  474    HA   SER  62           HA       SER  62 -22.278   4.196   2.639
  475    HB2  SER  62           HB2      SER  62 -22.044   3.635   4.932
  476    HB3  SER  62           HB1      SER  62 -22.288   5.301   5.447
  477    HG   SER  62           HG       SER  62 -24.323   4.156   3.951
  478    H    ILE  63           HN       ILE  63 -22.763   5.914   0.983
  479    HA   ILE  63           HA       ILE  63 -24.960   7.728   1.921
  480    HB   ILE  63           HB       ILE  63 -23.014   8.045  -0.378
  481   HG12  ILE  63          HG12      ILE  63 -22.483   8.604   2.160
  482   HG13  ILE  63          HG11      ILE  63 -21.987   9.700   0.873
  483   HG21  ILE  63          HG21      ILE  63 -25.037   8.925  -1.217
  484   HG22  ILE  63          HG22      ILE  63 -24.218  10.330  -0.539
  485   HG23  ILE  63          HG23      ILE  63 -25.522   9.552   0.358
  486   HD11  ILE  63          HD11      ILE  63 -24.656  10.002   2.255
  487   HD12  ILE  63          HD12      ILE  63 -23.782  11.198   1.302
  488   HD13  ILE  63          HD13      ILE  63 -23.193  10.742   2.899
  489    H    VAL  64           HN       VAL  64 -24.084   6.887  -1.397
  490    HA   VAL  64           HA       VAL  64 -26.850   5.881  -1.789
  491    HB   VAL  64           HB       VAL  64 -25.905   5.829  -4.262
  492   HG11  VAL  64          HG11      VAL  64 -27.627   7.345  -3.909
  493   HG12  VAL  64          HG12      VAL  64 -26.291   8.455  -4.214
  494   HG13  VAL  64          HG13      VAL  64 -26.803   8.124  -2.559
  495   HG21  VAL  64          HG21      VAL  64 -24.201   8.063  -3.231
  496   HG22  VAL  64          HG22      VAL  64 -24.001   7.081  -4.682
  497   HG23  VAL  64          HG23      VAL  64 -23.576   6.418  -3.103
  498    H    GLN  65           HN       GLN  65 -24.120   4.802  -3.714
  499    HA   GLN  65           HA       GLN  65 -23.698   2.291  -2.384
  500    HB2  GLN  65           HB2      GLN  65 -24.801   0.950  -4.341
  501    HB3  GLN  65           HB1      GLN  65 -25.824   1.534  -3.027
  502    HG2  GLN  65           HG2      GLN  65 -26.702   3.286  -4.315
  503    HG3  GLN  65           HG1      GLN  65 -25.359   3.245  -5.459
  504   HE21  GLN  65          HE21      GLN  65 -28.400   1.664  -4.562
  505   HE22  GLN  65          HE22      GLN  65 -28.529   0.722  -5.968
  506    H    GLY  66           HN       GLY  66 -22.236   0.901  -3.654
  507    HA2  GLY  66           HA2      GLY  66 -20.673   0.489  -5.400
  508    HA3  GLY  66           HA1      GLY  66 -21.233   1.953  -6.208
  509    H    CYS  67           HN       CYS  67 -20.852   3.913  -4.365
  510    HA   CYS  67           HA       CYS  67 -18.164   4.614  -4.545
  511    HB2  CYS  67           HB2      CYS  67 -19.596   6.331  -3.818
  512    HB3  CYS  67           HB1      CYS  67 -20.299   5.333  -2.545
  513    H    LYS  68           HN       LYS  68 -19.257   4.073  -1.243
  514    HA   LYS  68           HA       LYS  68 -18.191   2.968   0.534
  515    HB2  LYS  68           HB2      LYS  68 -17.225   0.911  -1.430
  516    HB3  LYS  68           HB1      LYS  68 -17.852   0.682   0.202
  517    HG2  LYS  68           HG2      LYS  68 -20.042   1.752  -0.907
  518    HG3  LYS  68           HG1      LYS  68 -19.331   1.050  -2.361
  519    HD2  LYS  68           HD2      LYS  68 -19.041  -1.092  -0.912
  520    HD3  LYS  68           HD1      LYS  68 -20.231  -0.343   0.154
  521    HE2  LYS  68           HE2      LYS  68 -21.762  -0.091  -1.805
  522    HE3  LYS  68           HE1      LYS  68 -20.592  -0.967  -2.792
  523    HZ1  LYS  68           HZ1      LYS  68 -21.112  -2.376  -0.395
  524    HZ2  LYS  68           HZ2      LYS  68 -21.337  -2.880  -2.001
  525    HZ3  LYS  68           HZ3      LYS  68 -22.572  -2.041  -1.190
  526    H    ARG  69           HN       ARG  69 -16.632   4.993  -0.801
  527    HA   ARG  69           HA       ARG  69 -13.937   3.924  -1.185
  528    HB2  ARG  69           HB2      ARG  69 -15.268   6.563  -1.394
  529    HB3  ARG  69           HB1      ARG  69 -13.573   6.609  -0.915
  530    HG2  ARG  69           HG2      ARG  69 -14.449   4.912  -3.243
  531    HG3  ARG  69           HG1      ARG  69 -14.143   6.635  -3.458
  532    HD2  ARG  69           HD2      ARG  69 -12.074   5.120  -1.959
  533    HD3  ARG  69           HD1      ARG  69 -12.204   4.764  -3.681
  534    HE   ARG  69           HE       ARG  69 -11.266   7.276  -2.510
  535   HH11  ARG  69          HH21      ARG  69 -12.662   5.647  -5.208
  536   HH12  ARG  69          HH22      ARG  69 -12.123   6.819  -6.365
  537   HH21  ARG  69          HH11      ARG  69 -10.552   8.815  -4.004
  538   HH22  ARG  69          HH12      ARG  69 -10.927   8.612  -5.683
  539    H    THR  70           HN       THR  70 -12.533   3.520   0.463
  540    HA   THR  70           HA       THR  70 -13.260   4.295   3.188
  541    HB   THR  70           HB       THR  70 -10.747   3.252   3.396
  542    HG1  THR  70           HG1      THR  70 -10.475   2.795   1.274
  543   HG21  THR  70          HG21      THR  70 -13.372   1.764   3.151
  544   HG22  THR  70          HG22      THR  70 -12.707   2.477   4.622
  545   HG23  THR  70          HG23      THR  70 -11.902   1.102   3.867
  546    H    TYR  71           HN       TYR  71 -11.514   5.320   4.615
  547    HA   TYR  71           HA       TYR  71  -9.600   7.039   3.214
  548    HB2  TYR  71           HB2      TYR  71 -12.073   8.067   4.559
  549    HB3  TYR  71           HB1      TYR  71 -10.608   9.041   4.551
  550    HD1  TYR  71           HD1      TYR  71  -9.492   9.555   2.320
  551    HD2  TYR  71           HD2      TYR  71 -13.443   7.900   2.624
  552    HE1  TYR  71           HE1      TYR  71  -9.961  10.248  -0.015
  553    HE2  TYR  71           HE2      TYR  71 -13.913   8.591   0.290
  554    HH   TYR  71           HH       TYR  71 -12.302  10.806  -1.330
  555    H    LEU  72           HN       LEU  72  -8.566   8.530   5.045
  556    HA   LEU  72           HA       LEU  72  -8.144   6.771   7.423
  557    HB2  LEU  72           HB2      LEU  72  -6.068   8.757   6.996
  558    HB3  LEU  72           HB1      LEU  72  -5.921   7.009   7.150
  559    HG   LEU  72           HG       LEU  72  -6.708   8.487   4.618
  560   HD11  LEU  72          HD11      LEU  72  -4.139   7.151   5.513
  561   HD12  LEU  72          HD12      LEU  72  -4.367   8.841   5.066
  562   HD13  LEU  72          HD13      LEU  72  -4.476   7.581   3.837
  563   HD21  LEU  72          HD21      LEU  72  -5.835   5.802   4.183
  564   HD22  LEU  72          HD22      LEU  72  -7.437   6.476   3.891
  565   HD23  LEU  72          HD23      LEU  72  -7.054   5.759   5.455
  566    H    SER  73           HN       SER  73  -9.518   9.667   6.447
  567    HA   SER  73           HA       SER  73  -9.640  10.560   9.256
  568    HB2  SER  73           HB2      SER  73  -8.473  12.302   7.067
  569    HB3  SER  73           HB1      SER  73  -8.911  12.872   8.674
  570    HG   SER  73           HG       SER  73  -6.653  11.762   7.918
  571    H    GLN  74           HN       GLN  74 -11.689  11.204   9.626
  572    HA   GLN  74           HA       GLN  74 -13.792  11.163   7.852
  573    HB2  GLN  74           HB2      GLN  74 -13.427  13.072  10.170
  574    HB3  GLN  74           HB1      GLN  74 -14.967  12.735   9.376
  575    HG2  GLN  74           HG2      GLN  74 -13.306  10.449  10.368
  576    HG3  GLN  74           HG1      GLN  74 -14.274  11.371  11.519
  577   HE21  GLN  74          HE21      GLN  74 -14.570   9.622   8.391
  578   HE22  GLN  74          HE22      GLN  74 -16.183   9.159   8.629
  579    H    ARG  75           HN       ARG  75 -11.337  13.610   8.117
  580    HA   ARG  75           HA       ARG  75 -12.717  15.728   6.768
  581    HB2  ARG  75           HB2      ARG  75 -10.584  15.959   8.085
  582    HB3  ARG  75           HB1      ARG  75  -9.742  15.152   6.763
  583    HG2  ARG  75           HG2      ARG  75 -11.181  17.113   5.450
  584    HG3  ARG  75           HG1      ARG  75 -10.709  17.911   6.948
  585    HD2  ARG  75           HD2      ARG  75  -8.349  17.023   6.509
  586    HD3  ARG  75           HD1      ARG  75  -8.913  16.626   4.885
  587    HE   ARG  75           HE       ARG  75  -9.473  19.389   5.628
  588   HH11  ARG  75          HH21      ARG  75  -7.170  17.131   4.408
  589   HH12  ARG  75          HH22      ARG  75  -6.266  18.322   3.535
  590   HH21  ARG  75          HH11      ARG  75  -8.305  20.957   4.494
  591   HH22  ARG  75          HH12      ARG  75  -6.909  20.489   3.583
  592    H    ASP  76           HN       ASP  76 -10.905  12.930   5.612
  593    HA   ASP  76           HA       ASP  76 -11.025  13.908   2.841
  594    HB2  ASP  76           HB2      ASP  76 -10.144  11.198   3.868
  595    HB3  ASP  76           HB1      ASP  76  -9.842  11.864   2.264
  596    H    LEU  77           HN       LEU  77 -12.644  11.633   4.963
  597    HA   LEU  77           HA       LEU  77 -14.260  10.500   2.817
  598    HB2  LEU  77           HB2      LEU  77 -14.159   8.998   4.565
  599    HB3  LEU  77           HB1      LEU  77 -14.133  10.246   5.791
  600    HG   LEU  77           HG       LEU  77 -16.609   9.791   4.115
  601   HD11  LEU  77          HD11      LEU  77 -17.442   8.217   5.773
  602   HD12  LEU  77          HD12      LEU  77 -15.947   8.353   6.696
  603   HD13  LEU  77          HD13      LEU  77 -15.933   7.604   5.099
  604   HD21  LEU  77          HD21      LEU  77 -15.915  11.543   6.265
  605   HD22  LEU  77          HD22      LEU  77 -17.065  10.372   6.899
  606   HD23  LEU  77          HD23      LEU  77 -17.486  11.347   5.495
  607    H    GLN  78           HN       GLN  78 -14.444  13.144   5.111
  608    HA   GLN  78           HA       GLN  78 -17.234  13.690   4.549
  609    HB2  GLN  78           HB2      GLN  78 -16.121  14.519   6.631
  610    HB3  GLN  78           HB1      GLN  78 -15.128  15.583   5.634
  611    HG2  GLN  78           HG2      GLN  78 -17.015  16.857   6.480
  612    HG3  GLN  78           HG1      GLN  78 -17.241  16.618   4.748
  613   HE21  GLN  78          HE21      GLN  78 -18.902  15.041   4.061
  614   HE22  GLN  78          HE22      GLN  78 -20.098  14.518   5.144
  615    H    ALA  79           HN       ALA  79 -14.118  14.563   3.317
  616    HA   ALA  79           HA       ALA  79 -15.103  16.579   1.469
  617    HB1  ALA  79           HB1      ALA  79 -12.871  16.429   0.464
  618    HB2  ALA  79           HB2      ALA  79 -12.546  14.941   1.354
  619    HB3  ALA  79           HB3      ALA  79 -12.718  16.468   2.221
  620    H    HIS  80           HN       HIS  80 -15.041  13.114   1.604
  621    HA   HIS  80           HA       HIS  80 -15.116  12.717  -1.279
  622    HB2  HIS  80           HB2      HIS  80 -14.423  10.870   0.136
  623    HB3  HIS  80           HB1      HIS  80 -15.957  10.909   0.999
  624    HD1  HIS  80           HD1      HIS  80 -14.445   9.928  -2.298
  625    HD2  HIS  80           HD2      HIS  80 -18.147   9.772  -0.392
  626    HE1  HIS  80           HE1      HIS  80 -15.922   8.445  -3.724
  627    H    ILE  81           HN       ILE  81 -17.529  12.837   1.292
  628    HA   ILE  81           HA       ILE  81 -19.840  12.374  -0.287
  629    HB   ILE  81           HB       ILE  81 -19.937  14.392   1.906
  630   HG12  ILE  81          HG12      ILE  81 -18.366  12.873   2.808
  631   HG13  ILE  81          HG11      ILE  81 -19.906  12.501   3.561
  632   HG21  ILE  81          HG21      ILE  81 -22.011  13.662   0.845
  633   HG22  ILE  81          HG22      ILE  81 -21.956  13.082   2.510
  634   HG23  ILE  81          HG23      ILE  81 -21.609  11.980   1.180
  635   HD11  ILE  81          HD11      ILE  81 -19.321  10.362   2.973
  636   HD12  ILE  81          HD12      ILE  81 -18.289  10.895   1.649
  637   HD13  ILE  81          HD13      ILE  81 -20.038  10.841   1.438
  638    H    ASN  82           HN       ASN  82 -18.347  15.447   0.669
  639    HA   ASN  82           HA       ASN  82 -20.159  17.019  -0.926
  640    HB2  ASN  82           HB2      ASN  82 -17.406  17.953  -0.151
  641    HB3  ASN  82           HB1      ASN  82 -18.908  18.875  -0.232
  642   HD21  ASN  82          HD21      ASN  82 -16.834  17.981   2.045
  643   HD22  ASN  82          HD22      ASN  82 -17.879  17.569   3.317
  644    H    HIS  83           HN       HIS  83 -17.323  15.177  -1.677
  645    HA   HIS  83           HA       HIS  83 -16.764  16.796  -4.049
  646    HB2  HIS  83           HB2      HIS  83 -15.514  14.335  -2.884
  647    HB3  HIS  83           HB1      HIS  83 -15.101  14.879  -4.505
  648    HD1  HIS  83           HD1      HIS  83 -12.685  15.539  -3.738
  649    HD2  HIS  83           HD2      HIS  83 -15.726  17.627  -1.789
  650    HE1  HIS  83           HE1      HIS  83 -11.575  17.485  -2.553
  651    HE2  HIS  83           HE2      HIS  83 -13.416  18.761  -1.364
  652    H    ARG  84           HN       ARG  84 -18.534  13.811  -3.361
  653    HA   ARG  84           HA       ARG  84 -19.047  13.615  -6.299
  654    HB2  ARG  84           HB2      ARG  84 -18.990  11.172  -4.566
  655    HB3  ARG  84           HB1      ARG  84 -18.767  11.296  -6.304
  656    HG2  ARG  84           HG2      ARG  84 -16.796  12.423  -4.276
  657    HG3  ARG  84           HG1      ARG  84 -16.645  10.836  -5.012
  658    HD2  ARG  84           HD2      ARG  84 -17.101  12.651  -7.146
  659    HD3  ARG  84           HD1      ARG  84 -15.888  13.386  -6.105
  660    HE   ARG  84           HE       ARG  84 -14.389  11.640  -6.675
  661   HH11  ARG  84          HH21      ARG  84 -17.629  11.012  -7.683
  662   HH12  ARG  84          HH22      ARG  84 -17.201   9.643  -8.653
  663   HH21  ARG  84          HH11      ARG  84 -13.817   9.855  -7.936
  664   HH22  ARG  84          HH12      ARG  84 -15.045   8.988  -8.795
  665    H    HIS  85           HN       HIS  85 -20.431  13.380  -3.099
  666    HA   HIS  85           HA       HIS  85 -23.029  12.562  -4.283
  667    HB2  HIS  85           HB2      HIS  85 -22.397  12.949  -1.354
  668    HB3  HIS  85           HB1      HIS  85 -23.725  12.032  -2.064
  669    HD1  HIS  85           HD1      HIS  85 -23.300   9.583  -1.973
  670    HD2  HIS  85           HD2      HIS  85 -19.754  11.722  -2.463
  671    HE1  HIS  85           HE1      HIS  85 -21.439   7.868  -2.095
  672    H    MET  86           HN       MET  86 -21.643  15.003  -2.146
  673    HA   MET  86           HA       MET  86 -22.466  17.122  -1.516
  674    HB2  MET  86           HB2      MET  86 -21.684  17.104  -4.075
  675    HB3  MET  86           HB1      MET  86 -23.385  17.496  -4.328
  676    HG2  MET  86           HG2      MET  86 -22.958  19.240  -2.394
  677    HG3  MET  86           HG1      MET  86 -21.274  19.064  -2.886
  678    HE1  MET  86           HE1      MET  86 -21.332  21.706  -3.412
  679    HE2  MET  86           HE2      MET  86 -23.012  21.669  -2.884
  680    HE3  MET  86           HE3      MET  86 -22.591  22.453  -4.405
  681    H    ARG  87           HN       ARG  87 -24.408  14.959  -1.249
  682    HA   ARG  87           HA       ARG  87 -26.964  15.997  -2.222
  683    HB2  ARG  87           HB2      ARG  87 -26.293  13.515  -1.754
  684    HB3  ARG  87           HB1      ARG  87 -26.690  13.903  -0.079
  685    HG2  ARG  87           HG2      ARG  87 -28.901  14.855  -1.046
  686    HG3  ARG  87           HG1      ARG  87 -28.498  13.927  -2.490
  687    HD2  ARG  87           HD2      ARG  87 -29.636  12.275  -1.384
  688    HD3  ARG  87           HD1      ARG  87 -28.070  12.034  -0.611
  689    HE   ARG  87           HE       ARG  87 -29.649  14.007   0.800
  690   HH11  ARG  87          HH21      ARG  87 -29.167  10.645   0.212
  691   HH12  ARG  87          HH22      ARG  87 -29.803  10.150   1.745
  692   HH21  ARG  87          HH11      ARG  87 -30.482  13.381   2.806
  693   HH22  ARG  87          HH12      ARG  87 -30.548  11.698   3.213
  694    H    ALA  88           HN       ALA  88 -24.989  16.350   0.607
  695    HA   ALA  88           HA       ALA  88 -25.275  17.802   2.441
  696    HB1  ALA  88           HB1      ALA  88 -28.024  18.606   1.651
  697    HB2  ALA  88           HB2      ALA  88 -26.741  19.013   0.512
  698    HB3  ALA  88           HB3      ALA  88 -26.665  19.603   2.172
  699    H    GLY  89           HN       GLY  89 -26.762  15.031   1.881
  700    HA2  GLY  89           HA2      GLY  89 -28.078  13.572   3.162
  701    HA3  GLY  89           HA1      GLY  89 -27.553  14.532   4.547
  Start of MODEL   19
    1    H1   VAL   1           HT1      VAL   1 -16.822  -5.005   7.297
    2    H2   VAL   1           HT2      VAL   1 -18.098  -5.342   6.226
    3    H3   VAL   1           HT3      VAL   1 -16.589  -4.841   5.625
    4    HA   VAL   1           HA       VAL   1 -16.801  -7.298   7.237
    5    HB   VAL   1           HB       VAL   1 -17.147  -8.581   5.180
    6   HG11  VAL   1          HG11      VAL   1 -19.247  -6.406   5.286
    7   HG12  VAL   1          HG12      VAL   1 -19.103  -7.644   6.533
    8   HG13  VAL   1          HG13      VAL   1 -19.470  -8.105   4.871
    9   HG21  VAL   1          HG21      VAL   1 -17.120  -5.825   3.938
   10   HG22  VAL   1          HG22      VAL   1 -17.878  -7.197   3.127
   11   HG23  VAL   1          HG23      VAL   1 -16.153  -7.232   3.496
   12    H    HIS   2           HN       HIS   2 -14.845  -8.431   7.140
   13    HA   HIS   2           HA       HIS   2 -12.591  -6.966   5.902
   14    HB2  HIS   2           HB2      HIS   2 -11.467  -9.043   7.291
   15    HB3  HIS   2           HB1      HIS   2 -11.813  -7.462   7.990
   16    HD1  HIS   2           HD1      HIS   2 -12.883  -7.812  10.213
   17    HD2  HIS   2           HD2      HIS   2 -14.273 -10.558   7.396
   18    HE1  HIS   2           HE1      HIS   2 -14.665  -9.193  11.373
   19    HE2  HIS   2           HE2      HIS   2 -15.517 -10.866   9.668
   20    H    PHE   3           HN       PHE   3 -14.599  -8.783   4.465
   21    HA   PHE   3           HA       PHE   3 -13.012 -11.095   3.665
   22    HB2  PHE   3           HB2      PHE   3 -15.661  -9.936   2.887
   23    HB3  PHE   3           HB1      PHE   3 -14.883 -11.070   1.783
   24    HD1  PHE   3           HD1      PHE   3 -15.861 -10.655   5.372
   25    HD2  PHE   3           HD2      PHE   3 -15.034 -13.384   2.160
   26    HE1  PHE   3           HE1      PHE   3 -16.601 -12.549   6.791
   27    HE2  PHE   3           HE2      PHE   3 -15.775 -15.278   3.578
   28    HZ   PHE   3           HZ       PHE   3 -16.558 -14.861   5.894
   29    H    CYS   4           HN       CYS   4 -11.195 -10.730   2.469
   30    HA   CYS   4           HA       CYS   4 -10.499  -8.476   1.007
   31    HB2  CYS   4           HB2      CYS   4  -8.959 -10.348   1.410
   32    HB3  CYS   4           HB1      CYS   4  -9.871 -11.352   0.283
   33    H    ASP   5           HN       ASP   5 -10.787  -7.783  -1.134
   34    HA   ASP   5           HA       ASP   5 -13.262  -8.712  -2.397
   35    HB2  ASP   5           HB2      ASP   5 -11.608  -6.327  -2.465
   36    HB3  ASP   5           HB1      ASP   5 -12.011  -6.864  -4.097
   37    H    LYS   6           HN       LYS   6  -9.799  -9.065  -2.882
   38    HA   LYS   6           HA       LYS   6 -10.270 -10.307  -5.534
   39    HB2  LYS   6           HB2      LYS   6  -8.289  -8.638  -4.688
   40    HB3  LYS   6           HB1      LYS   6  -7.526 -10.206  -4.439
   41    HG2  LYS   6           HG2      LYS   6  -8.817  -9.297  -7.036
   42    HG3  LYS   6           HG1      LYS   6  -7.087  -9.285  -6.718
   43    HD2  LYS   6           HD2      LYS   6  -8.845 -11.758  -6.666
   44    HD3  LYS   6           HD1      LYS   6  -7.775 -11.302  -7.986
   45    HE2  LYS   6           HE2      LYS   6  -5.976 -11.210  -6.016
   46    HE3  LYS   6           HE1      LYS   6  -7.095 -12.354  -5.275
   47    HZ1  LYS   6           HZ1      LYS   6  -6.669 -13.922  -6.821
   48    HZ2  LYS   6           HZ2      LYS   6  -5.188 -13.097  -6.935
   49    HZ3  LYS   6           HZ3      LYS   6  -6.416 -12.803  -8.071
   50    H    CYS   7           HN       CYS   7  -8.560 -11.059  -2.498
   51    HA   CYS   7           HA       CYS   7  -8.261 -13.853  -3.198
   52    HB2  CYS   7           HB2      CYS   7  -8.079 -12.717  -0.409
   53    HB3  CYS   7           HB1      CYS   7  -7.212 -14.096  -1.088
   54    H    GLY   8           HN       GLY   8 -10.690 -11.982  -1.498
   55    HA2  GLY   8           HA2      GLY   8 -12.849 -12.644  -0.834
   56    HA3  GLY   8           HA1      GLY   8 -12.542 -14.210  -1.584
   57    H    LEU   9           HN       LEU   9 -10.042 -13.445   0.532
   58    HA   LEU   9           HA       LEU   9 -11.136 -15.333   2.549
   59    HB2  LEU   9           HB2      LEU   9  -8.444 -14.540   1.616
   60    HB3  LEU   9           HB1      LEU   9  -8.578 -14.772   3.360
   61    HG   LEU   9           HG       LEU   9  -9.548 -17.007   2.998
   62   HD11  LEU   9          HD11      LEU   9  -9.661 -15.999   0.237
   63   HD12  LEU   9          HD12      LEU   9 -10.632 -17.246   1.019
   64   HD13  LEU   9          HD13      LEU   9  -9.041 -17.645   0.370
   65   HD21  LEU   9          HD21      LEU   9  -6.872 -16.183   2.188
   66   HD22  LEU   9          HD22      LEU   9  -7.369 -17.664   1.369
   67   HD23  LEU   9          HD23      LEU   9  -7.368 -17.588   3.132
   68    HA   PRO  10           HA       PRO  10 -11.899 -12.114   5.446
   69    HB2  PRO  10           HB2      PRO  10 -11.095 -13.208   7.819
   70    HB3  PRO  10           HB1      PRO  10 -12.620 -13.590   7.000
   71    HG2  PRO  10           HG2      PRO  10 -10.094 -15.145   7.113
   72    HG3  PRO  10           HG1      PRO  10 -11.771 -15.712   7.058
   73    HD2  PRO  10           HD2      PRO  10 -10.084 -15.719   4.876
   74    HD3  PRO  10           HD1      PRO  10 -11.855 -15.647   4.755
   75    H    ILE  11           HN       ILE  11 -10.480 -10.560   4.868
   76    HA   ILE  11           HA       ILE  11  -7.765 -10.271   5.059
   77    HB   ILE  11           HB       ILE  11  -9.913  -8.228   5.741
   78   HG12  ILE  11          HG12      ILE  11  -8.373  -8.703   3.182
   79   HG13  ILE  11          HG11      ILE  11  -9.953  -9.410   3.499
   80   HG21  ILE  11          HG21      ILE  11  -7.137  -7.628   4.716
   81   HG22  ILE  11          HG22      ILE  11  -7.497  -7.606   6.438
   82   HG23  ILE  11          HG23      ILE  11  -8.325  -6.503   5.347
   83   HD11  ILE  11          HD11      ILE  11 -11.012  -7.469   3.052
   84   HD12  ILE  11          HD12      ILE  11  -9.477  -6.895   2.400
   85   HD13  ILE  11          HD13      ILE  11  -9.908  -6.553   4.075
   86    H    LYS  12           HN       LYS  12  -6.589 -11.057   6.762
   87    HA   LYS  12           HA       LYS  12  -7.451 -10.727   9.536
   88    HB2  LYS  12           HB2      LYS  12  -4.632 -11.397   8.702
   89    HB3  LYS  12           HB1      LYS  12  -5.532 -11.966  10.109
   90    HG2  LYS  12           HG2      LYS  12  -7.129 -12.978   8.232
   91    HG3  LYS  12           HG1      LYS  12  -5.648 -12.912   7.276
   92    HD2  LYS  12           HD2      LYS  12  -6.000 -14.301   9.949
   93    HD3  LYS  12           HD1      LYS  12  -5.790 -15.083   8.382
   94    HE2  LYS  12           HE2      LYS  12  -3.600 -15.128   9.093
   95    HE3  LYS  12           HE1      LYS  12  -3.606 -13.535   8.336
   96    HZ1  LYS  12           HZ1      LYS  12  -2.778 -13.873  10.785
   97    HZ2  LYS  12           HZ2      LYS  12  -4.435 -13.742  11.137
   98    HZ3  LYS  12           HZ3      LYS  12  -3.631 -12.479  10.334
   99    H    VAL  13           HN       VAL  13  -5.345  -9.129   7.244
  100    HA   VAL  13           HA       VAL  13  -5.039  -6.865   9.139
  101    HB   VAL  13           HB       VAL  13  -2.805  -7.518   7.283
  102   HG11  VAL  13          HG11      VAL  13  -1.489  -6.378   8.928
  103   HG12  VAL  13          HG12      VAL  13  -2.763  -6.524  10.138
  104   HG13  VAL  13          HG13      VAL  13  -2.977  -5.447   8.759
  105   HG21  VAL  13          HG21      VAL  13  -3.434  -8.988   9.846
  106   HG22  VAL  13          HG22      VAL  13  -1.791  -8.878   9.215
  107   HG23  VAL  13          HG23      VAL  13  -3.049  -9.674   8.267
  108    H    TYR  14           HN       TYR  14  -5.079  -4.832   8.024
  109    HA   TYR  14           HA       TYR  14  -6.338  -4.995   5.385
  110    HB2  TYR  14           HB2      TYR  14  -5.813  -2.845   7.382
  111    HB3  TYR  14           HB1      TYR  14  -6.145  -2.388   5.717
  112    HD1  TYR  14           HD2      TYR  14  -7.585  -5.439   7.297
  113    HD2  TYR  14           HD1      TYR  14  -8.280  -1.357   6.154
  114    HE1  TYR  14           HE2      TYR  14 -10.010  -5.748   7.660
  115    HE2  TYR  14           HE1      TYR  14 -10.709  -1.670   6.520
  116    HH   TYR  14           HH       TYR  14 -12.002  -4.145   8.238
  117    H    GLY  15           HN       GLY  15  -4.950  -5.441   3.764
  118    HA2  GLY  15           HA2      GLY  15  -2.261  -4.307   3.656
  119    HA3  GLY  15           HA1      GLY  15  -3.026  -5.282   2.397
  120    H    ARG  16           HN       ARG  16  -2.634  -2.071   3.666
  121    HA   ARG  16           HA       ARG  16  -4.486  -0.838   1.777
  122    HB2  ARG  16           HB2      ARG  16  -4.019   0.238   3.927
  123    HB3  ARG  16           HB1      ARG  16  -2.311   0.376   3.509
  124    HG2  ARG  16           HG2      ARG  16  -2.666   2.212   2.238
  125    HG3  ARG  16           HG1      ARG  16  -4.068   1.486   1.447
  126    HD2  ARG  16           HD2      ARG  16  -5.487   2.056   3.342
  127    HD3  ARG  16           HD1      ARG  16  -4.098   2.668   4.239
  128    HE   ARG  16           HE       ARG  16  -5.499   4.058   2.076
  129   HH11  ARG  16          HH21      ARG  16  -2.617   3.663   3.925
  130   HH12  ARG  16          HH22      ARG  16  -2.046   5.270   3.626
  131   HH21  ARG  16          HH11      ARG  16  -4.771   6.162   1.678
  132   HH22  ARG  16          HH12      ARG  16  -3.265   6.685   2.354
  133    H    MET  17           HN       MET  17  -4.049  -0.058  -0.230
  134    HA   MET  17           HA       MET  17  -1.201  -0.087  -1.140
  135    HB2  MET  17           HB2      MET  17  -3.419  -0.496  -3.097
  136    HB3  MET  17           HB1      MET  17  -1.777  -1.135  -3.114
  137    HG2  MET  17           HG2      MET  17  -2.429  -2.572  -1.129
  138    HG3  MET  17           HG1      MET  17  -4.090  -2.058  -1.402
  139    HE1  MET  17           HE1      MET  17  -1.347  -4.757  -3.664
  140    HE2  MET  17           HE2      MET  17  -0.956  -3.283  -2.786
  141    HE3  MET  17           HE3      MET  17  -1.348  -3.200  -4.500
  142    H    ILE  18           HN       ILE  18  -0.508   1.798  -1.997
  143    HA   ILE  18           HA       ILE  18  -2.525   3.897  -2.636
  144    HB   ILE  18           HB       ILE  18  -0.203   5.279  -2.368
  145   HG12  ILE  18          HG12      ILE  18  -0.007   3.009  -0.382
  146   HG13  ILE  18          HG11      ILE  18   1.012   3.200  -1.810
  147   HG21  ILE  18          HG21      ILE  18  -0.969   5.822  -0.084
  148   HG22  ILE  18          HG22      ILE  18  -1.982   4.379  -0.076
  149   HG23  ILE  18          HG23      ILE  18  -2.348   5.708  -1.175
  150   HD11  ILE  18          HD11      ILE  18   0.995   5.682  -0.398
  151   HD12  ILE  18          HD12      ILE  18   2.358   4.598  -0.680
  152   HD13  ILE  18          HD13      ILE  18   1.352   4.397   0.755
  153    HA   PRO  19           HA       PRO  19  -2.091   6.036  -3.477
  154    HB2  PRO  19           HB2      PRO  19  -2.987   7.319  -5.685
  155    HB3  PRO  19           HB1      PRO  19  -1.307   7.465  -5.129
  156    HG2  PRO  19           HG2      PRO  19  -2.432   5.861  -7.359
  157    HG3  PRO  19           HG1      PRO  19  -0.882   6.710  -7.243
  158    HD2  PRO  19           HD2      PRO  19  -1.227   3.965  -6.878
  159    HD3  PRO  19           HD1      PRO  19   0.167   4.903  -6.305
  160    H    CYS  20           HN       CYS  20  -3.146   3.376  -5.105
  161    HA   CYS  20           HA       CYS  20  -5.826   3.851  -5.818
  162    HB2  CYS  20           HB2      CYS  20  -4.192   1.634  -5.629
  163    HB3  CYS  20           HB1      CYS  20  -5.389   1.325  -4.373
  164    H    LYS  21           HN       LYS  21  -4.364   3.300  -2.659
  165    HA   LYS  21           HA       LYS  21  -5.201   3.684  -0.508
  166    HB2  LYS  21           HB2      LYS  21  -6.416   5.632  -2.116
  167    HB3  LYS  21           HB1      LYS  21  -7.758   4.872  -1.259
  168    HG2  LYS  21           HG2      LYS  21  -6.412   5.147   0.874
  169    HG3  LYS  21           HG1      LYS  21  -5.290   6.144  -0.055
  170    HD2  LYS  21           HD2      LYS  21  -7.743   7.212  -0.739
  171    HD3  LYS  21           HD1      LYS  21  -7.966   6.795   0.961
  172    HE2  LYS  21           HE2      LYS  21  -7.065   9.083   0.722
  173    HE3  LYS  21           HE1      LYS  21  -5.912   8.030   1.541
  174    HZ1  LYS  21           HZ1      LYS  21  -5.296   7.698  -1.070
  175    HZ2  LYS  21           HZ2      LYS  21  -4.484   8.735   0.002
  176    HZ3  LYS  21           HZ3      LYS  21  -5.706   9.342  -1.009
  177    H    HIS  22           HN       HIS  22  -5.870   1.387  -2.271
  178    HA   HIS  22           HA       HIS  22  -8.582   0.657  -1.342
  179    HB2  HIS  22           HB2      HIS  22  -6.684  -0.406  -3.385
  180    HB3  HIS  22           HB1      HIS  22  -7.848  -1.527  -2.679
  181    HD2  HIS  22           HD2      HIS  22 -10.538   0.252  -2.573
  182    HE1  HIS  22           HE1      HIS  22  -9.780   1.204  -6.616
  183    HE2  HIS  22           HE2      HIS  22 -11.542   1.186  -4.792
  184    H    VAL  23           HN       VAL  23  -8.451  -2.024  -0.883
  185    HA   VAL  23           HA       VAL  23  -6.257  -2.467   1.054
  186    HB   VAL  23           HB       VAL  23  -8.410  -3.429   2.457
  187   HG11  VAL  23          HG11      VAL  23  -6.536  -2.250   3.427
  188   HG12  VAL  23          HG12      VAL  23  -8.009  -1.394   3.874
  189   HG13  VAL  23          HG13      VAL  23  -6.980  -0.763   2.593
  190   HG21  VAL  23          HG21      VAL  23 -10.102  -1.709   2.477
  191   HG22  VAL  23          HG22      VAL  23  -9.880  -2.205   0.799
  192   HG23  VAL  23          HG23      VAL  23  -9.163  -0.700   1.376
  193    H    PHE  24           HN       PHE  24  -5.916  -4.659   1.593
  194    HA   PHE  24           HA       PHE  24  -7.616  -6.778   0.516
  195    HB2  PHE  24           HB2      PHE  24  -4.820  -6.528  -0.626
  196    HB3  PHE  24           HB1      PHE  24  -6.036  -7.729  -1.043
  197    HD1  PHE  24           HD2      PHE  24  -5.091  -4.172  -1.319
  198    HD2  PHE  24           HD1      PHE  24  -7.809  -7.236  -2.592
  199    HE1  PHE  24           HE2      PHE  24  -5.888  -2.699  -3.147
  200    HE2  PHE  24           HE1      PHE  24  -8.612  -5.768  -4.419
  201    HZ   PHE  24           HZ       PHE  24  -7.647  -3.503  -4.708
  202    H    CYS  25           HN       CYS  25  -6.543  -8.967   1.036
  203    HA   CYS  25           HA       CYS  25  -5.571  -8.964   3.708
  204    HB2  CYS  25           HB2      CYS  25  -4.462 -11.247   2.446
  205    HB3  CYS  25           HB1      CYS  25  -5.931 -11.171   3.416
  206    H    TYR  26           HN       TYR  26  -3.734  -7.946   4.333
  207    HA   TYR  26           HA       TYR  26  -1.648  -7.058   2.727
  208    HB2  TYR  26           HB2      TYR  26  -1.918  -6.485   5.134
  209    HB3  TYR  26           HB1      TYR  26  -1.349  -8.098   5.554
  210    HD1  TYR  26           HD2      TYR  26  -0.245  -5.318   3.229
  211    HD2  TYR  26           HD1      TYR  26   0.868  -8.201   6.219
  212    HE1  TYR  26           HE2      TYR  26   2.101  -4.550   3.101
  213    HE2  TYR  26           HE1      TYR  26   3.215  -7.425   6.088
  214    HH   TYR  26           HH       TYR  26   4.109  -4.564   4.328
  215    H    ASP  27           HN       ASP  27  -2.318 -10.322   3.625
  216    HA   ASP  27           HA       ASP  27   0.369 -11.307   3.095
  217    HB2  ASP  27           HB2      ASP  27  -1.688 -12.434   4.381
  218    HB3  ASP  27           HB1      ASP  27  -2.031 -13.068   2.771
  219    H    CYS  28           HN       CYS  28  -2.619 -10.881   1.287
  220    HA   CYS  28           HA       CYS  28  -1.432 -12.020  -1.135
  221    HB2  CYS  28           HB2      CYS  28  -3.563 -12.092  -1.920
  222    HB3  CYS  28           HB1      CYS  28  -4.037 -11.697  -0.267
  223    H    ALA  29           HN       ALA  29  -1.730  -8.946   0.416
  224    HA   ALA  29           HA       ALA  29  -1.346  -7.331  -1.942
  225    HB1  ALA  29           HB1      ALA  29  -0.459  -6.461   0.800
  226    HB2  ALA  29           HB2      ALA  29  -2.180  -6.668   0.477
  227    HB3  ALA  29           HB3      ALA  29  -1.240  -5.511  -0.464
  228    H    ILE  30           HN       ILE  30   0.780  -8.953   0.376
  229    HA   ILE  30           HA       ILE  30   3.162  -7.736  -0.799
  230    HB   ILE  30           HB       ILE  30   4.395  -9.194   0.721
  231   HG12  ILE  30          HG12      ILE  30   1.698 -10.334   1.472
  232   HG13  ILE  30          HG11      ILE  30   2.897 -11.201   0.519
  233   HG21  ILE  30          HG21      ILE  30   3.910  -7.619   2.231
  234   HG22  ILE  30          HG22      ILE  30   2.460  -8.513   2.680
  235   HG23  ILE  30          HG23      ILE  30   2.385  -7.294   1.410
  236   HD11  ILE  30          HD11      ILE  30   3.193 -10.235   3.372
  237   HD12  ILE  30          HD12      ILE  30   4.520 -10.893   2.415
  238   HD13  ILE  30          HD13      ILE  30   3.135 -11.908   2.816
  239    H    LEU  31           HN       LEU  31   1.372 -10.787  -1.048
  240    HA   LEU  31           HA       LEU  31   3.358 -12.106  -2.683
  241    HB2  LEU  31           HB2      LEU  31   0.362 -12.459  -2.475
  242    HB3  LEU  31           HB1      LEU  31   1.359 -13.464  -3.513
  243    HG   LEU  31           HG       LEU  31   1.812 -13.126  -0.533
  244   HD11  LEU  31          HD11      LEU  31  -0.091 -14.750  -2.003
  245   HD12  LEU  31          HD12      LEU  31   0.082 -14.539  -0.261
  246   HD13  LEU  31          HD13      LEU  31   1.037 -15.761  -1.101
  247   HD21  LEU  31          HD21      LEU  31   3.824 -14.006  -1.106
  248   HD22  LEU  31          HD22      LEU  31   3.276 -14.447  -2.721
  249   HD23  LEU  31          HD23      LEU  31   2.942 -15.510  -1.355
  250    H    HIS  32           HN       HIS  32   0.678  -9.905  -3.357
  251    HA   HIS  32           HA       HIS  32   0.919 -10.066  -6.236
  252    HB2  HIS  32           HB2      HIS  32  -0.500  -8.340  -4.272
  253    HB3  HIS  32           HB1      HIS  32  -0.164  -7.615  -5.845
  254    HD1  HIS  32           HD1      HIS  32  -1.332  -8.644  -7.920
  255    HD2  HIS  32           HD2      HIS  32  -2.329 -10.535  -4.337
  256    HE1  HIS  32           HE1      HIS  32  -3.313 -10.144  -8.426
  257    HE2  HIS  32           HE2      HIS  32  -3.926 -11.298  -6.252
  258    H    GLU  33           HN       GLU  33   2.405  -8.127  -3.696
  259    HA   GLU  33           HA       GLU  33   3.693  -6.278  -5.506
  260    HB2  GLU  33           HB2      GLU  33   4.262  -5.224  -3.594
  261    HB3  GLU  33           HB1      GLU  33   3.359  -6.470  -2.745
  262    HG2  GLU  33           HG2      GLU  33   5.451  -7.847  -2.628
  263    HG3  GLU  33           HG1      GLU  33   6.332  -6.499  -3.356
  264    H    LYS  34           HN       LYS  34   4.563  -9.391  -4.088
  265    HA   LYS  34           HA       LYS  34   7.313  -9.299  -5.016
  266    HB2  LYS  34           HB2      LYS  34   5.505 -11.340  -3.800
  267    HB3  LYS  34           HB1      LYS  34   6.896 -11.932  -4.708
  268    HG2  LYS  34           HG2      LYS  34   8.433 -10.957  -3.257
  269    HG3  LYS  34           HG1      LYS  34   7.289  -9.732  -2.707
  270    HD2  LYS  34           HD2      LYS  34   6.189 -11.213  -1.266
  271    HD3  LYS  34           HD1      LYS  34   6.758 -12.636  -2.139
  272    HE2  LYS  34           HE2      LYS  34   8.834 -12.604  -1.124
  273    HE3  LYS  34           HE1      LYS  34   8.807 -10.857  -0.885
  274    HZ1  LYS  34           HZ1      LYS  34   6.741 -12.284   0.534
  275    HZ2  LYS  34           HZ2      LYS  34   7.788 -11.061   1.077
  276    HZ3  LYS  34           HZ3      LYS  34   8.312 -12.677   1.033
  277    H    LYS  35           HN       LYS  35   4.233 -10.156  -6.391
  278    HA   LYS  35           HA       LYS  35   5.391 -11.647  -8.601
  279    HB2  LYS  35           HB2      LYS  35   2.599 -10.600  -8.109
  280    HB3  LYS  35           HB1      LYS  35   3.050 -11.607  -9.485
  281    HG2  LYS  35           HG2      LYS  35   3.803 -12.558  -6.753
  282    HG3  LYS  35           HG1      LYS  35   2.110 -12.684  -7.230
  283    HD2  LYS  35           HD2      LYS  35   2.776 -13.914  -9.263
  284    HD3  LYS  35           HD1      LYS  35   4.468 -13.790  -8.779
  285    HE2  LYS  35           HE2      LYS  35   4.260 -15.584  -7.438
  286    HE3  LYS  35           HE1      LYS  35   2.913 -14.829  -6.586
  287    HZ1  LYS  35           HZ1      LYS  35   1.507 -15.537  -8.528
  288    HZ2  LYS  35           HZ2      LYS  35   2.076 -16.794  -7.534
  289    HZ3  LYS  35           HZ3      LYS  35   2.814 -16.492  -9.035
  290    H    GLY  36           HN       GLY  36   3.212  -8.855  -8.797
  291    HA2  GLY  36           HA2      GLY  36   4.599  -7.978 -11.242
  292    HA3  GLY  36           HA1      GLY  36   3.120  -7.282 -10.586
  293    H    ASP  37           HN       ASP  37   4.082  -6.800  -7.938
  294    HA   ASP  37           HA       ASP  37   5.386  -5.264  -6.707
  295    HB2  ASP  37           HB2      ASP  37   7.193  -6.267  -8.456
  296    HB3  ASP  37           HB1      ASP  37   7.157  -4.584  -8.982
  297    H    LYS  38           HN       LYS  38   3.286  -4.601  -8.996
  298    HA   LYS  38           HA       LYS  38   3.200  -1.802  -8.405
  299    HB2  LYS  38           HB2      LYS  38   3.576  -1.134 -10.851
  300    HB3  LYS  38           HB1      LYS  38   4.980  -1.466  -9.842
  301    HG2  LYS  38           HG2      LYS  38   5.357  -3.566 -10.827
  302    HG3  LYS  38           HG1      LYS  38   3.712  -3.665 -11.458
  303    HD2  LYS  38           HD2      LYS  38   5.420  -1.404 -12.404
  304    HD3  LYS  38           HD1      LYS  38   5.774  -3.015 -13.032
  305    HE2  LYS  38           HE2      LYS  38   2.930  -2.057 -12.989
  306    HE3  LYS  38           HE1      LYS  38   4.011  -1.485 -14.261
  307    HZ1  LYS  38           HZ1      LYS  38   2.807  -3.516 -14.878
  308    HZ2  LYS  38           HZ2      LYS  38   3.548  -4.340 -13.589
  309    HZ3  LYS  38           HZ3      LYS  38   4.488  -3.744 -14.873
  310    H    MET  39           HN       MET  39   1.318  -4.070  -8.513
  311    HA   MET  39           HA       MET  39  -0.718  -2.727 -10.162
  312    HB2  MET  39           HB2      MET  39  -1.450  -4.863 -11.187
  313    HB3  MET  39           HB1      MET  39   0.155  -4.368 -11.704
  314    HG2  MET  39           HG2      MET  39   1.038  -5.851  -9.790
  315    HG3  MET  39           HG1      MET  39  -0.592  -6.512  -9.714
  316    HE1  MET  39           HE1      MET  39   1.378  -5.537 -13.311
  317    HE2  MET  39           HE2      MET  39   2.583  -6.752 -12.891
  318    HE3  MET  39           HE3      MET  39   2.222  -5.453 -11.758
  319    H    CYS  40           HN       CYS  40  -2.509  -2.582  -9.071
  320    HA   CYS  40           HA       CYS  40  -2.858  -3.701  -6.467
  321    HB2  CYS  40           HB2      CYS  40  -4.010  -1.636  -7.748
  322    HB3  CYS  40           HB1      CYS  40  -5.274  -2.842  -7.972
  323    HA   PRO  41           HA       PRO  41  -4.326  -7.814  -7.521
  324    HB2  PRO  41           HB2      PRO  41  -6.344  -7.527  -5.366
  325    HB3  PRO  41           HB1      PRO  41  -5.098  -8.769  -5.587
  326    HG2  PRO  41           HG2      PRO  41  -4.920  -6.843  -3.729
  327    HG3  PRO  41           HG1      PRO  41  -3.505  -7.549  -4.524
  328    HD2  PRO  41           HD2      PRO  41  -4.733  -4.871  -4.913
  329    HD3  PRO  41           HD1      PRO  41  -3.051  -5.404  -5.133
  330    H    GLY  42           HN       GLY  42  -6.718  -5.265  -6.916
  331    HA2  GLY  42           HA2      GLY  42  -8.561  -6.620  -8.862
  332    HA3  GLY  42           HA1      GLY  42  -9.103  -5.563  -7.566
  333    H    CYS  43           HN       CYS  43  -7.311  -3.407  -7.902
  334    HA   CYS  43           HA       CYS  43  -8.511  -2.202 -10.294
  335    HB2  CYS  43           HB2      CYS  43  -6.515  -0.785  -8.568
  336    HB3  CYS  43           HB1      CYS  43  -7.953  -0.148  -9.365
  337    H    SER  44           HN       SER  44  -5.579  -3.789  -9.560
  338    HA   SER  44           HA       SER  44  -3.522  -3.901 -10.701
  339    HB2  SER  44           HB2      SER  44  -5.238  -4.748 -12.399
  340    HB3  SER  44           HB1      SER  44  -5.184  -3.141 -13.114
  341    HG   SER  44           HG       SER  44  -3.625  -4.195 -14.176
  342    H    ASP  45           HN       ASP  45  -4.131  -1.351  -9.517
  343    HA   ASP  45           HA       ASP  45  -3.314   0.669 -11.500
  344    HB2  ASP  45           HB2      ASP  45  -4.482   2.026 -10.130
  345    HB3  ASP  45           HB1      ASP  45  -4.741   0.681  -9.021
  346    HA   PRO  46           HA       PRO  46   0.992   0.674 -10.625
  347    HB2  PRO  46           HB2      PRO  46   1.491   3.374 -10.100
  348    HB3  PRO  46           HB1      PRO  46   1.390   2.644 -11.710
  349    HG2  PRO  46           HG2      PRO  46  -0.653   4.179 -10.199
  350    HG3  PRO  46           HG1      PRO  46  -0.303   4.161 -11.936
  351    HD2  PRO  46           HD2      PRO  46  -2.436   2.853 -10.895
  352    HD3  PRO  46           HD1      PRO  46  -1.552   2.234 -12.308
  353    H    VAL  47           HN       VAL  47   0.347  -0.488  -8.556
  354    HA   VAL  47           HA       VAL  47  -0.048   0.610  -6.041
  355    HB   VAL  47           HB       VAL  47   1.923  -1.616  -6.578
  356   HG11  VAL  47          HG11      VAL  47   0.253  -0.789  -4.221
  357   HG12  VAL  47          HG12      VAL  47   1.991  -1.074  -4.293
  358   HG13  VAL  47          HG13      VAL  47   0.869  -2.431  -4.397
  359   HG21  VAL  47          HG21      VAL  47  -1.088  -1.745  -6.318
  360   HG22  VAL  47          HG22      VAL  47  -0.004  -3.123  -6.521
  361   HG23  VAL  47          HG23      VAL  47  -0.191  -1.949  -7.819
  362    H    GLN  48           HN       GLN  48   1.017   2.540  -5.531
  363    HA   GLN  48           HA       GLN  48   3.799   3.020  -6.056
  364    HB2  GLN  48           HB2      GLN  48   2.415   4.939  -5.685
  365    HB3  GLN  48           HB1      GLN  48   1.825   4.298  -4.151
  366    HG2  GLN  48           HG2      GLN  48   3.716   4.917  -3.014
  367    HG3  GLN  48           HG1      GLN  48   4.770   4.617  -4.397
  368   HE21  GLN  48          HE21      GLN  48   2.463   6.988  -3.041
  369   HE22  GLN  48          HE22      GLN  48   3.033   8.304  -3.949
  370    H    ARG  49           HN       ARG  49   2.138   2.435  -2.942
  371    HA   ARG  49           HA       ARG  49   4.315   0.612  -2.187
  372    HB2  ARG  49           HB2      ARG  49   5.493   2.105  -0.993
  373    HB3  ARG  49           HB1      ARG  49   4.327   3.364  -1.372
  374    HG2  ARG  49           HG2      ARG  49   2.944   2.689   0.551
  375    HG3  ARG  49           HG1      ARG  49   4.075   1.380   0.917
  376    HD2  ARG  49           HD2      ARG  49   5.028   4.229   0.721
  377    HD3  ARG  49           HD1      ARG  49   4.325   3.611   2.217
  378    HE   ARG  49           HE       ARG  49   6.343   1.797   1.289
  379   HH11  ARG  49          HH21      ARG  49   5.849   4.922   2.660
  380   HH12  ARG  49          HH22      ARG  49   7.377   4.952   3.475
  381   HH21  ARG  49          HH11      ARG  49   8.342   1.818   2.345
  382   HH22  ARG  49          HH12      ARG  49   8.788   3.194   3.296
  383    H    ILE  50           HN       ILE  50   3.592  -0.959  -0.779
  384    HA   ILE  50           HA       ILE  50   0.749  -0.791   0.000
  385    HB   ILE  50           HB       ILE  50   2.499  -3.170   0.501
  386   HG12  ILE  50          HG12      ILE  50   1.300  -2.266  -2.121
  387   HG13  ILE  50          HG11      ILE  50   2.994  -2.587  -1.779
  388   HG21  ILE  50          HG21      ILE  50  -0.067  -2.721   1.114
  389   HG22  ILE  50          HG22      ILE  50   0.506  -4.316   0.634
  390   HG23  ILE  50          HG23      ILE  50  -0.289  -3.274  -0.543
  391   HD11  ILE  50          HD11      ILE  50   2.352  -4.976  -1.269
  392   HD12  ILE  50          HD12      ILE  50   2.135  -4.504  -2.954
  393   HD13  ILE  50          HD13      ILE  50   0.742  -4.608  -1.885
  394    H    GLU  51           HN       GLU  51   0.083  -1.009   2.102
  395    HA   GLU  51           HA       GLU  51   2.148  -1.066   4.231
  396    HB2  GLU  51           HB2      GLU  51  -0.038   1.024   4.093
  397    HB3  GLU  51           HB1      GLU  51   1.209   0.885   5.336
  398    HG2  GLU  51           HG2      GLU  51   2.940   1.156   3.540
  399    HG3  GLU  51           HG1      GLU  51   1.636   1.477   2.397
  400    H    GLN  52           HN       GLN  52   1.323  -1.690   6.288
  401    HA   GLN  52           HA       GLN  52  -1.186  -3.265   6.093
  402    HB2  GLN  52           HB2      GLN  52  -0.349  -4.627   7.819
  403    HB3  GLN  52           HB1      GLN  52   1.098  -4.227   6.892
  404    HG2  GLN  52           HG2      GLN  52   1.300  -2.200   8.512
  405    HG3  GLN  52           HG1      GLN  52   0.189  -3.109   9.537
  406   HE21  GLN  52          HE21      GLN  52   0.934  -5.226  10.359
  407   HE22  GLN  52          HE22      GLN  52   2.588  -5.602  10.394
  408    H    CYS  53           HN       CYS  53  -2.908  -2.886   7.512
  409    HA   CYS  53           HA       CYS  53  -2.578  -0.790   9.580
  410    HB2  CYS  53           HB2      CYS  53  -3.866  -0.393   7.032
  411    HB3  CYS  53           HB1      CYS  53  -5.055  -0.257   8.328
  412    H    THR  54           HN       THR  54  -4.570  -0.662  10.982
  413    HA   THR  54           HA       THR  54  -5.524  -3.374  11.545
  414    HB   THR  54           HB       THR  54  -6.904  -1.614  13.214
  415    HG1  THR  54           HG1      THR  54  -5.810   0.160  13.121
  416   HG21  THR  54          HG21      THR  54  -5.272  -2.370  14.908
  417   HG22  THR  54          HG22      THR  54  -4.211  -2.946  13.622
  418   HG23  THR  54          HG23      THR  54  -5.784  -3.703  13.873
  419    H    ARG  55           HN       ARG  55  -7.822  -3.893  11.657
  420    HA   ARG  55           HA       ARG  55  -9.309  -3.217   9.385
  421    HB2  ARG  55           HB2      ARG  55 -10.089  -5.104  10.532
  422    HB3  ARG  55           HB1      ARG  55 -10.092  -4.274  12.089
  423    HG2  ARG  55           HG2      ARG  55 -12.066  -3.097  11.603
  424    HG3  ARG  55           HG1      ARG  55 -11.895  -3.342   9.864
  425    HD2  ARG  55           HD2      ARG  55 -13.629  -4.786  11.231
  426    HD3  ARG  55           HD1      ARG  55 -12.667  -5.536   9.957
  427    HE   ARG  55           HE       ARG  55 -11.599  -6.815  11.622
  428   HH11  ARG  55          HH21      ARG  55 -13.091  -3.994  12.928
  429   HH12  ARG  55          HH22      ARG  55 -12.752  -4.415  14.574
  430   HH21  ARG  55          HH11      ARG  55 -11.150  -7.381  13.764
  431   HH22  ARG  55          HH12      ARG  55 -11.653  -6.332  15.046
  432    H    GLY  56           HN       GLY  56 -10.065  -2.000  12.673
  433    HA2  GLY  56           HA2      GLY  56 -11.773   0.082  11.614
  434    HA3  GLY  56           HA1      GLY  56 -11.245  -0.061  13.289
  435    H    SER  57           HN       SER  57  -8.819   0.005  10.770
  436    HA   SER  57           HA       SER  57  -7.807   2.524  11.903
  437    HB2  SER  57           HB2      SER  57  -6.358   0.505  11.247
  438    HB3  SER  57           HB1      SER  57  -6.635   0.991   9.577
  439    HG   SER  57           HG       SER  57  -5.276   2.330  11.647
  440    H    LEU  58           HN       LEU  58  -9.501   1.386   9.095
  441    HA   LEU  58           HA       LEU  58  -9.338   4.122   7.895
  442    HB2  LEU  58           HB2      LEU  58 -10.185   1.740   6.296
  443    HB3  LEU  58           HB1      LEU  58  -9.385   3.215   5.767
  444    HG   LEU  58           HG       LEU  58  -8.091   1.006   7.401
  445   HD11  LEU  58          HD11      LEU  58  -8.646   0.593   4.926
  446   HD12  LEU  58          HD12      LEU  58  -6.955   0.399   5.393
  447   HD13  LEU  58          HD13      LEU  58  -7.480   1.863   4.565
  448   HD21  LEU  58          HD21      LEU  58  -6.671   2.696   7.968
  449   HD22  LEU  58          HD22      LEU  58  -7.340   3.783   6.752
  450   HD23  LEU  58          HD23      LEU  58  -6.115   2.600   6.299
  451    H    PHE  59           HN       PHE  59 -11.369   4.510   6.453
  452    HA   PHE  59           HA       PHE  59 -13.785   3.626   7.979
  453    HB2  PHE  59           HB2      PHE  59 -13.424   6.254   6.523
  454    HB3  PHE  59           HB1      PHE  59 -14.757   5.799   7.588
  455    HD1  PHE  59           HD2      PHE  59 -11.046   6.266   7.536
  456    HD2  PHE  59           HD1      PHE  59 -14.635   6.233   9.897
  457    HE1  PHE  59           HE2      PHE  59  -9.768   7.102   9.491
  458    HE2  PHE  59           HE1      PHE  59 -13.356   7.068  11.851
  459    HZ   PHE  59           HZ       PHE  59 -10.923   7.502  11.649
  460    H    MET  60           HN       MET  60 -15.073   2.353   6.749
  461    HA   MET  60           HA       MET  60 -14.708   2.219   3.852
  462    HB2  MET  60           HB2      MET  60 -16.827   0.880   5.555
  463    HB3  MET  60           HB1      MET  60 -16.325   0.415   3.930
  464    HG2  MET  60           HG2      MET  60 -14.070  -0.107   4.756
  465    HG3  MET  60           HG1      MET  60 -14.538   0.396   6.381
  466    HE1  MET  60           HE1      MET  60 -14.369  -3.683   5.130
  467    HE2  MET  60           HE2      MET  60 -13.268  -2.325   5.353
  468    HE3  MET  60           HE3      MET  60 -14.253  -2.421   3.895
  469    H    CYS  61           HN       CYS  61 -16.175   2.884   2.274
  470    HA   CYS  61           HA       CYS  61 -18.197   4.876   3.172
  471    HB2  CYS  61           HB2      CYS  61 -16.923   5.919   1.530
  472    HB3  CYS  61           HB1      CYS  61 -16.656   4.420   0.641
  473    H    SER  62           HN       SER  62 -19.952   3.529   3.728
  474    HA   SER  62           HA       SER  62 -20.844   1.415   1.914
  475    HB2  SER  62           HB2      SER  62 -22.366   2.622   4.235
  476    HB3  SER  62           HB1      SER  62 -22.602   1.033   3.510
  477    HG   SER  62           HG       SER  62 -20.106   1.795   4.578
  478    H    ILE  63           HN       ILE  63 -21.457   4.796   2.359
  479    HA   ILE  63           HA       ILE  63 -24.019   5.222   1.417
  480    HB   ILE  63           HB       ILE  63 -21.445   6.676   0.803
  481   HG12  ILE  63          HG12      ILE  63 -23.823   7.429   2.526
  482   HG13  ILE  63          HG11      ILE  63 -22.408   6.584   3.146
  483   HG21  ILE  63          HG21      ILE  63 -23.278   8.553   0.265
  484   HG22  ILE  63          HG22      ILE  63 -24.215   7.140  -0.219
  485   HG23  ILE  63          HG23      ILE  63 -22.665   7.477  -0.989
  486   HD11  ILE  63          HD11      ILE  63 -22.741   9.388   2.767
  487   HD12  ILE  63          HD12      ILE  63 -21.517   8.840   1.629
  488   HD13  ILE  63          HD13      ILE  63 -21.313   8.535   3.349
  489    H    VAL  64           HN       VAL  64 -25.047   5.188  -0.592
  490    HA   VAL  64           HA       VAL  64 -25.468   4.356  -2.747
  491    HB   VAL  64           HB       VAL  64 -22.658   5.445  -3.029
  492   HG11  VAL  64          HG11      VAL  64 -24.396   3.977  -4.950
  493   HG12  VAL  64          HG12      VAL  64 -22.637   4.090  -4.883
  494   HG13  VAL  64          HG13      VAL  64 -23.582   5.418  -5.559
  495   HG21  VAL  64          HG21      VAL  64 -25.410   6.450  -3.823
  496   HG22  VAL  64          HG22      VAL  64 -23.896   7.246  -4.255
  497   HG23  VAL  64          HG23      VAL  64 -24.373   7.117  -2.561
  498    H    GLN  65           HN       GLN  65 -25.660   2.128  -2.307
  499    HA   GLN  65           HA       GLN  65 -23.536   0.332  -1.784
  500    HB2  GLN  65           HB2      GLN  65 -26.294   0.043  -2.925
  501    HB3  GLN  65           HB1      GLN  65 -25.197  -1.336  -2.993
  502    HG2  GLN  65           HG2      GLN  65 -24.984  -1.429  -0.635
  503    HG3  GLN  65           HG1      GLN  65 -25.642   0.195  -0.430
  504   HE21  GLN  65          HE21      GLN  65 -26.589  -3.095  -1.535
  505   HE22  GLN  65          HE22      GLN  65 -28.224  -2.930  -1.112
  506    H    GLY  66           HN       GLY  66 -21.770   0.833  -3.181
  507    HA2  GLY  66           HA2      GLY  66 -21.634  -0.643  -5.610
  508    HA3  GLY  66           HA1      GLY  66 -21.927   1.050  -6.012
  509    H    CYS  67           HN       CYS  67 -20.448   2.432  -4.206
  510    HA   CYS  67           HA       CYS  67 -17.693   1.707  -5.007
  511    HB2  CYS  67           HB2      CYS  67 -17.498   3.944  -5.171
  512    HB3  CYS  67           HB1      CYS  67 -19.110   4.157  -4.488
  513    H    LYS  68           HN       LYS  68 -15.959   1.974  -3.284
  514    HA   LYS  68           HA       LYS  68 -16.753   1.651  -0.499
  515    HB2  LYS  68           HB2      LYS  68 -15.698  -0.632  -0.291
  516    HB3  LYS  68           HB1      LYS  68 -17.210  -0.620  -1.201
  517    HG2  LYS  68           HG2      LYS  68 -14.935  -0.107  -2.937
  518    HG3  LYS  68           HG1      LYS  68 -14.750  -1.635  -2.077
  519    HD2  LYS  68           HD2      LYS  68 -17.003  -2.326  -2.812
  520    HD3  LYS  68           HD1      LYS  68 -17.186  -0.801  -3.680
  521    HE2  LYS  68           HE2      LYS  68 -16.482  -2.585  -5.220
  522    HE3  LYS  68           HE1      LYS  68 -15.217  -1.365  -5.070
  523    HZ1  LYS  68           HZ1      LYS  68 -14.822  -3.992  -4.752
  524    HZ2  LYS  68           HZ2      LYS  68 -15.076  -3.516  -3.141
  525    HZ3  LYS  68           HZ3      LYS  68 -13.842  -2.794  -4.058
  526    H    ARG  69           HN       ARG  69 -15.101   3.536  -1.697
  527    HA   ARG  69           HA       ARG  69 -12.309   2.687  -1.461
  528    HB2  ARG  69           HB2      ARG  69 -13.748   5.215  -2.148
  529    HB3  ARG  69           HB1      ARG  69 -12.088   5.347  -1.564
  530    HG2  ARG  69           HG2      ARG  69 -12.710   3.322  -3.685
  531    HG3  ARG  69           HG1      ARG  69 -12.573   5.019  -4.145
  532    HD2  ARG  69           HD2      ARG  69 -10.454   3.786  -2.410
  533    HD3  ARG  69           HD1      ARG  69 -10.427   3.501  -4.152
  534    HE   ARG  69           HE       ARG  69  -9.814   6.024  -2.819
  535   HH11  ARG  69          HH21      ARG  69 -10.963   4.445  -5.660
  536   HH12  ARG  69          HH22      ARG  69 -10.511   5.737  -6.721
  537   HH21  ARG  69          HH11      ARG  69  -9.217   7.720  -4.189
  538   HH22  ARG  69          HH12      ARG  69  -9.523   7.591  -5.888
  539    H    THR  70           HN       THR  70 -11.268   2.557   0.472
  540    HA   THR  70           HA       THR  70 -12.523   3.658   2.876
  541    HB   THR  70           HB       THR  70  -9.972   2.799   3.579
  542    HG1  THR  70           HG1      THR  70  -9.407   1.727   1.848
  543   HG21  THR  70          HG21      THR  70 -11.175   0.778   4.397
  544   HG22  THR  70          HG22      THR  70 -12.588   1.283   3.472
  545   HG23  THR  70          HG23      THR  70 -12.004   2.280   4.804
  546    H    TYR  71           HN       TYR  71 -10.908   4.813   4.461
  547    HA   TYR  71           HA       TYR  71  -8.930   6.518   3.157
  548    HB2  TYR  71           HB2      TYR  71 -11.487   7.678   4.293
  549    HB3  TYR  71           HB1      TYR  71 -10.063   8.632   3.876
  550    HD1  TYR  71           HD2      TYR  71  -9.239   8.680   1.508
  551    HD2  TYR  71           HD1      TYR  71 -12.972   6.856   2.597
  552    HE1  TYR  71           HE2      TYR  71  -9.949   8.717  -0.866
  553    HE2  TYR  71           HE1      TYR  71 -13.680   6.890   0.221
  554    HH   TYR  71           HH       TYR  71 -11.500   7.563  -2.334
  555    H    LEU  72           HN       LEU  72  -8.365   8.304   5.050
  556    HA   LEU  72           HA       LEU  72  -8.070   6.689   7.545
  557    HB2  LEU  72           HB2      LEU  72  -6.129   8.815   7.329
  558    HB3  LEU  72           HB1      LEU  72  -5.859   7.081   7.488
  559    HG   LEU  72           HG       LEU  72  -6.481   8.502   4.877
  560   HD11  LEU  72          HD11      LEU  72  -4.272   9.137   5.619
  561   HD12  LEU  72          HD12      LEU  72  -4.083   7.909   4.367
  562   HD13  LEU  72          HD13      LEU  72  -3.890   7.473   6.065
  563   HD21  LEU  72          HD21      LEU  72  -6.691   5.776   5.642
  564   HD22  LEU  72          HD22      LEU  72  -5.222   5.905   4.678
  565   HD23  LEU  72          HD23      LEU  72  -6.762   6.434   4.007
  566    H    SER  73           HN       SER  73  -9.615   9.364   6.287
  567    HA   SER  73           HA       SER  73 -10.051  10.408   9.023
  568    HB2  SER  73           HB2      SER  73  -8.283  11.862   8.420
  569    HB3  SER  73           HB1      SER  73  -8.844  11.991   6.756
  570    HG   SER  73           HG       SER  73  -9.464  13.835   7.836
  571    H    GLN  74           HN       GLN  74 -12.188  10.819   9.268
  572    HA   GLN  74           HA       GLN  74 -14.167  10.311   7.392
  573    HB2  GLN  74           HB2      GLN  74 -14.260  11.076   9.953
  574    HB3  GLN  74           HB1      GLN  74 -14.638  12.631   9.212
  575    HG2  GLN  74           HG2      GLN  74 -16.763  11.692   9.415
  576    HG3  GLN  74           HG1      GLN  74 -16.325  11.213   7.775
  577   HE21  GLN  74          HE21      GLN  74 -15.546   8.953   7.469
  578   HE22  GLN  74          HE22      GLN  74 -15.965   7.754   8.595
  579    H    ARG  75           HN       ARG  75 -12.075  13.062   7.594
  580    HA   ARG  75           HA       ARG  75 -13.641  14.879   5.992
  581    HB2  ARG  75           HB2      ARG  75 -11.712  15.519   7.484
  582    HB3  ARG  75           HB1      ARG  75 -10.629  14.782   6.303
  583    HG2  ARG  75           HG2      ARG  75 -12.220  16.408   4.731
  584    HG3  ARG  75           HG1      ARG  75 -12.020  17.358   6.201
  585    HD2  ARG  75           HD2      ARG  75  -9.531  16.880   6.042
  586    HD3  ARG  75           HD1      ARG  75  -9.845  16.226   4.434
  587    HE   ARG  75           HE       ARG  75 -10.975  18.866   4.686
  588   HH11  ARG  75          HH21      ARG  75  -8.043  17.088   4.329
  589   HH12  ARG  75          HH22      ARG  75  -7.214  18.364   3.502
  590   HH21  ARG  75          HH11      ARG  75  -9.911  20.543   3.608
  591   HH22  ARG  75          HH12      ARG  75  -8.271  20.320   3.094
  592    H    ASP  76           HN       ASP  76 -11.312  12.349   5.267
  593    HA   ASP  76           HA       ASP  76 -11.173  13.064   2.430
  594    HB2  ASP  76           HB2      ASP  76  -9.930  11.031   4.212
  595    HB3  ASP  76           HB1      ASP  76 -10.118  10.579   2.519
  596    H    LEU  77           HN       LEU  77 -12.794  10.722   4.487
  597    HA   LEU  77           HA       LEU  77 -14.016   9.276   2.297
  598    HB2  LEU  77           HB2      LEU  77 -13.772   8.125   4.397
  599    HB3  LEU  77           HB1      LEU  77 -14.544   9.441   5.273
  600    HG   LEU  77           HG       LEU  77 -16.200   8.315   3.111
  601   HD11  LEU  77          HD11      LEU  77 -15.080   6.261   3.885
  602   HD12  LEU  77          HD12      LEU  77 -16.770   6.283   4.385
  603   HD13  LEU  77          HD13      LEU  77 -15.504   6.660   5.549
  604   HD21  LEU  77          HD21      LEU  77 -16.801   8.581   6.062
  605   HD22  LEU  77          HD22      LEU  77 -17.927   8.662   4.708
  606   HD23  LEU  77          HD23      LEU  77 -16.799   9.984   4.997
  607    H    GLN  78           HN       GLN  78 -14.801  12.013   4.373
  608    HA   GLN  78           HA       GLN  78 -17.515  12.225   3.412
  609    HB2  GLN  78           HB2      GLN  78 -16.780  13.316   5.535
  610    HB3  GLN  78           HB1      GLN  78 -15.756  14.398   4.591
  611    HG2  GLN  78           HG2      GLN  78 -17.850  15.532   5.093
  612    HG3  GLN  78           HG1      GLN  78 -17.803  15.175   3.368
  613   HE21  GLN  78          HE21      GLN  78 -19.192  13.401   2.572
  614   HE22  GLN  78          HE22      GLN  78 -20.486  12.829   3.510
  615    H    ALA  79           HN       ALA  79 -14.375  13.270   2.448
  616    HA   ALA  79           HA       ALA  79 -15.294  15.066   0.353
  617    HB1  ALA  79           HB1      ALA  79 -12.618  13.662   0.660
  618    HB2  ALA  79           HB2      ALA  79 -13.016  15.218   1.387
  619    HB3  ALA  79           HB3      ALA  79 -12.955  15.055  -0.368
  620    H    HIS  80           HN       HIS  80 -14.959  11.643   0.787
  621    HA   HIS  80           HA       HIS  80 -14.656  11.022  -2.045
  622    HB2  HIS  80           HB2      HIS  80 -13.992   9.354  -0.407
  623    HB3  HIS  80           HB1      HIS  80 -15.622   9.309   0.256
  624    HD1  HIS  80           HD1      HIS  80 -13.605   8.191  -2.698
  625    HD2  HIS  80           HD2      HIS  80 -17.532   7.934  -1.336
  626    HE1  HIS  80           HE1      HIS  80 -14.756   6.471  -4.156
  627    H    ILE  81           HN       ILE  81 -17.358  11.143   0.215
  628    HA   ILE  81           HA       ILE  81 -19.419  10.368  -1.588
  629    HB   ILE  81           HB       ILE  81 -19.918  12.489   0.458
  630   HG12  ILE  81          HG12      ILE  81 -18.376  11.128   1.629
  631   HG13  ILE  81          HG11      ILE  81 -19.971  10.669   2.205
  632   HG21  ILE  81          HG21      ILE  81 -21.837  11.647  -0.723
  633   HG22  ILE  81          HG22      ILE  81 -21.896  11.019   0.920
  634   HG23  ILE  81          HG23      ILE  81 -21.372   9.976  -0.403
  635   HD11  ILE  81          HD11      ILE  81 -18.014   9.121   0.594
  636   HD12  ILE  81          HD12      ILE  81 -19.711   8.916   0.165
  637   HD13  ILE  81          HD13      ILE  81 -19.166   8.561   1.801
  638    H    ASN  82           HN       ASN  82 -18.320  13.611  -0.664
  639    HA   ASN  82           HA       ASN  82 -20.024  14.946  -2.553
  640    HB2  ASN  82           HB2      ASN  82 -17.432  16.111  -1.567
  641    HB3  ASN  82           HB1      ASN  82 -18.968  16.924  -1.871
  642   HD21  ASN  82          HD21      ASN  82 -17.176  16.523   0.677
  643   HD22  ASN  82          HD22      ASN  82 -18.298  16.042   1.855
  644    H    HIS  83           HN       HIS  83 -17.023  13.258  -2.870
  645    HA   HIS  83           HA       HIS  83 -16.285  14.753  -5.272
  646    HB2  HIS  83           HB2      HIS  83 -15.072  12.446  -3.807
  647    HB3  HIS  83           HB1      HIS  83 -14.523  12.855  -5.428
  648    HD1  HIS  83           HD1      HIS  83 -12.219  13.721  -4.564
  649    HD2  HIS  83           HD2      HIS  83 -15.495  15.769  -2.991
  650    HE1  HIS  83           HE1      HIS  83 -11.296  15.803  -3.451
  651    HE2  HIS  83           HE2      HIS  83 -13.281  17.057  -2.491
  652    H    ARG  84           HN       ARG  84 -17.883  11.658  -4.596
  653    HA   ARG  84           HA       ARG  84 -18.162  11.325  -7.556
  654    HB2  ARG  84           HB2      ARG  84 -18.141   8.894  -5.860
  655    HB3  ARG  84           HB1      ARG  84 -17.495   9.144  -7.484
  656    HG2  ARG  84           HG2      ARG  84 -15.690  10.579  -6.455
  657    HG3  ARG  84           HG1      ARG  84 -16.274  10.071  -4.871
  658    HD2  ARG  84           HD2      ARG  84 -14.532   8.557  -5.350
  659    HD3  ARG  84           HD1      ARG  84 -16.003   7.665  -5.743
  660    HE   ARG  84           HE       ARG  84 -14.921   9.089  -8.038
  661   HH11  ARG  84          HH21      ARG  84 -14.750   6.277  -6.051
  662   HH12  ARG  84          HH22      ARG  84 -14.092   5.272  -7.299
  663   HH21  ARG  84          HH11      ARG  84 -14.062   7.793  -9.680
  664   HH22  ARG  84          HH12      ARG  84 -13.702   6.130  -9.353
  665    H    HIS  85           HN       HIS  85 -19.764  11.207  -4.475
  666    HA   HIS  85           HA       HIS  85 -22.176  10.031  -5.747
  667    HB2  HIS  85           HB2      HIS  85 -21.759  10.666  -2.825
  668    HB3  HIS  85           HB1      HIS  85 -22.962   9.589  -3.533
  669    HD1  HIS  85           HD1      HIS  85 -22.332   7.205  -3.226
  670    HD2  HIS  85           HD2      HIS  85 -18.957   9.606  -3.728
  671    HE1  HIS  85           HE1      HIS  85 -20.329   5.657  -3.126
  672    H    MET  86           HN       MET  86 -21.153  12.779  -3.769
  673    HA   MET  86           HA       MET  86 -22.217  14.844  -3.373
  674    HB2  MET  86           HB2      MET  86 -21.342  14.670  -5.895
  675    HB3  MET  86           HB1      MET  86 -23.064  14.848  -6.230
  676    HG2  MET  86           HG2      MET  86 -22.899  16.803  -4.467
  677    HG3  MET  86           HG1      MET  86 -21.187  16.766  -4.892
  678    HE1  MET  86           HE1      MET  86 -23.794  19.066  -5.497
  679    HE2  MET  86           HE2      MET  86 -22.792  19.834  -6.726
  680    HE3  MET  86           HE3      MET  86 -22.053  19.246  -5.238
  681    H    ARG  87           HN       ARG  87 -23.930  12.527  -2.935
  682    HA   ARG  87           HA       ARG  87 -26.531  13.895  -3.236
  683    HB2  ARG  87           HB2      ARG  87 -25.734  11.413  -4.633
  684    HB3  ARG  87           HB1      ARG  87 -27.282  11.324  -3.791
  685    HG2  ARG  87           HG2      ARG  87 -26.628  13.674  -5.563
  686    HG3  ARG  87           HG1      ARG  87 -27.273  12.181  -6.244
  687    HD2  ARG  87           HD2      ARG  87 -29.341  12.491  -5.323
  688    HD3  ARG  87           HD1      ARG  87 -28.689  13.215  -3.854
  689    HE   ARG  87           HE       ARG  87 -28.270  15.029  -6.014
  690   HH11  ARG  87          HH21      ARG  87 -30.756  13.582  -4.113
  691   HH12  ARG  87          HH22      ARG  87 -31.841  14.923  -4.272
  692   HH21  ARG  87          HH11      ARG  87 -29.673  16.788  -6.232
  693   HH22  ARG  87          HH12      ARG  87 -31.228  16.737  -5.472
  694    H    ALA  88           HN       ALA  88 -27.290  13.951  -1.179
  695    HA   ALA  88           HA       ALA  88 -27.875  11.661   0.367
  696    HB1  ALA  88           HB1      ALA  88 -25.717  11.110   0.943
  697    HB2  ALA  88           HB2      ALA  88 -26.009  12.325   2.187
  698    HB3  ALA  88           HB3      ALA  88 -25.127  12.757   0.722
  699    H    GLY  89           HN       GLY  89 -28.591  12.271   2.596
  700    HA2  GLY  89           HA2      GLY  89 -28.573  14.813   3.730
  701    HA3  GLY  89           HA1      GLY  89 -29.897  14.859   2.566
  Start of MODEL   20
    1    H1   VAL   1           HT1      VAL   1 -11.610  -7.544  11.378
    2    H2   VAL   1           HT2      VAL   1 -11.682  -6.382  10.141
    3    H3   VAL   1           HT3      VAL   1 -10.180  -6.874  10.762
    4    HA   VAL   1           HA       VAL   1 -10.425  -7.963   8.694
    5    HB   VAL   1           HB       VAL   1 -10.309 -10.269   9.373
    6   HG11  VAL   1          HG11      VAL   1  -8.736 -10.135  11.163
    7   HG12  VAL   1          HG12      VAL   1  -9.502  -8.692  11.824
    8   HG13  VAL   1          HG13      VAL   1  -8.607  -8.599  10.307
    9   HG21  VAL   1          HG21      VAL   1 -11.079 -10.700  11.867
   10   HG22  VAL   1          HG22      VAL   1 -12.259 -10.745  10.557
   11   HG23  VAL   1          HG23      VAL   1 -12.117  -9.306  11.567
   12    H    HIS   2           HN       HIS   2 -11.742  -9.443   7.343
   13    HA   HIS   2           HA       HIS   2 -14.501  -9.975   7.933
   14    HB2  HIS   2           HB2      HIS   2 -14.797  -7.569   7.711
   15    HB3  HIS   2           HB1      HIS   2 -13.917  -7.567   6.183
   16    HD1  HIS   2           HD1      HIS   2 -16.960  -9.394   7.616
   17    HD2  HIS   2           HD2      HIS   2 -15.645  -7.688   4.044
   18    HE1  HIS   2           HE1      HIS   2 -18.859  -9.649   5.958
   19    HE2  HIS   2           HE2      HIS   2 -18.070  -8.614   3.780
   20    H    PHE   3           HN       PHE   3 -13.523  -8.739   4.796
   21    HA   PHE   3           HA       PHE   3 -12.775 -11.367   3.775
   22    HB2  PHE   3           HB2      PHE   3 -15.465 -10.158   3.274
   23    HB3  PHE   3           HB1      PHE   3 -14.688 -11.078   1.985
   24    HD1  PHE   3           HD2      PHE   3 -13.562 -13.369   2.836
   25    HD2  PHE   3           HD1      PHE   3 -16.831 -11.344   4.752
   26    HE1  PHE   3           HE2      PHE   3 -14.236 -15.490   3.930
   27    HE2  PHE   3           HE1      PHE   3 -17.503 -13.465   5.846
   28    HZ   PHE   3           HZ       PHE   3 -16.206 -15.538   5.435
   29    H    CYS   4           HN       CYS   4 -11.341 -11.094   2.175
   30    HA   CYS   4           HA       CYS   4 -10.627  -8.465   1.228
   31    HB2  CYS   4           HB2      CYS   4  -9.002 -10.315   1.360
   32    HB3  CYS   4           HB1      CYS   4  -9.904 -11.188   0.122
   33    H    ASP   5           HN       ASP   5 -11.023  -7.526  -0.807
   34    HA   ASP   5           HA       ASP   5 -13.510  -8.372  -2.080
   35    HB2  ASP   5           HB2      ASP   5 -12.208  -5.949  -1.782
   36    HB3  ASP   5           HB1      ASP   5 -11.942  -6.331  -3.484
   37    H    LYS   6           HN       LYS   6 -10.070  -8.661  -2.741
   38    HA   LYS   6           HA       LYS   6 -10.651  -9.695  -5.459
   39    HB2  LYS   6           HB2      LYS   6  -8.384  -8.387  -4.175
   40    HB3  LYS   6           HB1      LYS   6  -7.906  -9.823  -5.080
   41    HG2  LYS   6           HG2      LYS   6  -9.710  -7.678  -6.226
   42    HG3  LYS   6           HG1      LYS   6  -7.959  -7.668  -6.425
   43    HD2  LYS   6           HD2      LYS   6  -8.066  -9.211  -8.064
   44    HD3  LYS   6           HD1      LYS   6  -9.047 -10.281  -7.064
   45    HE2  LYS   6           HE2      LYS   6 -10.287  -9.635  -9.085
   46    HE3  LYS   6           HE1      LYS   6 -11.063  -8.963  -7.650
   47    HZ1  LYS   6           HZ1      LYS   6 -10.574  -7.478  -9.722
   48    HZ2  LYS   6           HZ2      LYS   6  -9.026  -7.367  -9.029
   49    HZ3  LYS   6           HZ3      LYS   6 -10.391  -6.858  -8.154
   50    H    CYS   7           HN       CYS   7  -9.010 -10.696  -2.459
   51    HA   CYS   7           HA       CYS   7  -8.641 -13.405  -3.517
   52    HB2  CYS   7           HB2      CYS   7  -8.215 -12.587  -0.648
   53    HB3  CYS   7           HB1      CYS   7  -7.395 -13.850  -1.564
   54    H    GLY   8           HN       GLY   8 -11.030 -11.712  -1.676
   55    HA2  GLY   8           HA2      GLY   8 -13.101 -12.460  -0.856
   56    HA3  GLY   8           HA1      GLY   8 -12.819 -13.964  -1.731
   57    H    LEU   9           HN       LEU   9 -10.168 -13.423   0.204
   58    HA   LEU   9           HA       LEU   9 -11.161 -15.389   2.194
   59    HB2  LEU   9           HB2      LEU   9  -8.513 -14.572   1.128
   60    HB3  LEU   9           HB1      LEU   9  -8.540 -14.987   2.839
   61    HG   LEU   9           HG       LEU   9  -9.648 -17.148   2.266
   62   HD11  LEU   9          HD11      LEU   9  -9.184 -16.162  -0.565
   63   HD12  LEU   9          HD12      LEU   9 -10.741 -16.510   0.186
   64   HD13  LEU   9          HD13      LEU   9  -9.611 -17.822  -0.151
   65   HD21  LEU   9          HD21      LEU   9  -7.638 -18.154   1.128
   66   HD22  LEU   9          HD22      LEU   9  -7.237 -17.140   2.515
   67   HD23  LEU   9          HD23      LEU   9  -7.027 -16.518   0.878
   68    HA   PRO  10           HA       PRO  10 -11.667 -12.446   5.433
   69    HB2  PRO  10           HB2      PRO  10 -10.313 -13.660   7.530
   70    HB3  PRO  10           HB1      PRO  10 -11.990 -13.987   7.058
   71    HG2  PRO  10           HG2      PRO  10  -9.525 -15.532   6.473
   72    HG3  PRO  10           HG1      PRO  10 -11.179 -16.101   6.757
   73    HD2  PRO  10           HD2      PRO  10 -10.080 -16.003   4.266
   74    HD3  PRO  10           HD1      PRO  10 -11.819 -15.767   4.550
   75    H    ILE  11           HN       ILE  11 -10.630 -10.549   5.572
   76    HA   ILE  11           HA       ILE  11  -7.777 -10.340   5.103
   77    HB   ILE  11           HB       ILE  11  -9.786  -8.248   5.984
   78   HG12  ILE  11          HG12      ILE  11  -8.713  -8.951   3.246
   79   HG13  ILE  11          HG11      ILE  11 -10.308  -9.416   3.840
   80   HG21  ILE  11          HG21      ILE  11  -7.654  -7.209   4.398
   81   HG22  ILE  11          HG22      ILE  11  -6.938  -8.171   5.686
   82   HG23  ILE  11          HG23      ILE  11  -8.026  -6.845   6.081
   83   HD11  ILE  11          HD11      ILE  11 -11.129  -7.411   3.248
   84   HD12  ILE  11          HD12      ILE  11  -9.541  -6.947   2.633
   85   HD13  ILE  11          HD13      ILE  11  -9.968  -6.618   4.311
   86    H    LYS  12           HN       LYS  12  -6.498 -11.119   6.738
   87    HA   LYS  12           HA       LYS  12  -7.153 -10.768   9.548
   88    HB2  LYS  12           HB2      LYS  12  -4.554 -11.359   9.673
   89    HB3  LYS  12           HB1      LYS  12  -5.750 -12.599   9.289
   90    HG2  LYS  12           HG2      LYS  12  -5.296 -12.459   6.955
   91    HG3  LYS  12           HG1      LYS  12  -4.395 -10.955   7.144
   92    HD2  LYS  12           HD2      LYS  12  -2.486 -12.040   7.695
   93    HD3  LYS  12           HD1      LYS  12  -3.331 -13.150   8.775
   94    HE2  LYS  12           HE2      LYS  12  -2.237 -14.183   6.692
   95    HE3  LYS  12           HE1      LYS  12  -3.923 -14.605   6.991
   96    HZ1  LYS  12           HZ1      LYS  12  -4.653 -13.292   5.286
   97    HZ2  LYS  12           HZ2      LYS  12  -3.160 -13.798   4.653
   98    HZ3  LYS  12           HZ3      LYS  12  -3.315 -12.253   5.344
   99    H    VAL  13           HN       VAL  13  -5.309  -9.033   7.124
  100    HA   VAL  13           HA       VAL  13  -5.092  -6.739   8.968
  101    HB   VAL  13           HB       VAL  13  -2.698  -7.418   7.343
  102   HG11  VAL  13          HG11      VAL  13  -1.560  -6.287   9.238
  103   HG12  VAL  13          HG12      VAL  13  -3.114  -6.131  10.055
  104   HG13  VAL  13          HG13      VAL  13  -2.825  -5.278   8.538
  105   HG21  VAL  13          HG21      VAL  13  -1.767  -8.705   9.289
  106   HG22  VAL  13          HG22      VAL  13  -3.097  -9.530   8.479
  107   HG23  VAL  13          HG23      VAL  13  -3.378  -8.693  10.006
  108    H    TYR  14           HN       TYR  14  -5.173  -4.791   7.797
  109    HA   TYR  14           HA       TYR  14  -6.200  -5.019   5.097
  110    HB2  TYR  14           HB2      TYR  14  -5.676  -2.770   6.986
  111    HB3  TYR  14           HB1      TYR  14  -5.907  -2.409   5.278
  112    HD1  TYR  14           HD2      TYR  14  -7.478  -5.040   7.442
  113    HD2  TYR  14           HD1      TYR  14  -8.057  -1.521   5.060
  114    HE1  TYR  14           HE2      TYR  14  -9.927  -5.257   7.724
  115    HE2  TYR  14           HE1      TYR  14 -10.510  -1.729   5.346
  116    HH   TYR  14           HH       TYR  14 -11.910  -4.054   7.550
  117    H    GLY  15           HN       GLY  15  -4.847  -5.445   3.455
  118    HA2  GLY  15           HA2      GLY  15  -2.072  -4.509   3.455
  119    HA3  GLY  15           HA1      GLY  15  -2.865  -5.410   2.155
  120    H    ARG  16           HN       ARG  16  -2.639  -2.247   3.661
  121    HA   ARG  16           HA       ARG  16  -4.286  -0.873   1.752
  122    HB2  ARG  16           HB2      ARG  16  -3.699   0.057   3.974
  123    HB3  ARG  16           HB1      ARG  16  -2.024   0.226   3.450
  124    HG2  ARG  16           HG2      ARG  16  -2.470   2.114   2.291
  125    HG3  ARG  16           HG1      ARG  16  -3.924   1.426   1.571
  126    HD2  ARG  16           HD2      ARG  16  -5.178   1.864   3.640
  127    HD3  ARG  16           HD1      ARG  16  -3.724   2.519   4.393
  128    HE   ARG  16           HE       ARG  16  -5.450   3.931   2.548
  129   HH11  ARG  16          HH21      ARG  16  -2.201   3.448   3.601
  130   HH12  ARG  16          HH22      ARG  16  -1.671   5.028   3.126
  131   HH21  ARG  16          HH11      ARG  16  -4.774   5.997   1.925
  132   HH22  ARG  16          HH12      ARG  16  -3.127   6.470   2.177
  133    H    MET  17           HN       MET  17  -3.837  -0.157  -0.266
  134    HA   MET  17           HA       MET  17  -1.000  -0.322  -1.195
  135    HB2  MET  17           HB2      MET  17  -3.430  -0.493  -2.979
  136    HB3  MET  17           HB1      MET  17  -1.772  -0.968  -3.347
  137    HG2  MET  17           HG2      MET  17  -2.052  -2.636  -1.376
  138    HG3  MET  17           HG1      MET  17  -3.778  -2.345  -1.581
  139    HE1  MET  17           HE1      MET  17  -0.518  -2.930  -3.329
  140    HE2  MET  17           HE2      MET  17  -0.803  -4.233  -4.478
  141    HE3  MET  17           HE3      MET  17  -0.840  -4.568  -2.751
  142    H    ILE  18           HN       ILE  18  -0.128   1.492  -2.078
  143    HA   ILE  18           HA       ILE  18  -1.934   3.810  -2.597
  144    HB   ILE  18           HB       ILE  18   0.498   4.964  -2.137
  145   HG12  ILE  18          HG12      ILE  18   0.334   2.589  -0.264
  146   HG13  ILE  18          HG11      ILE  18   1.487   2.776  -1.588
  147   HG21  ILE  18          HG21      ILE  18  -0.367   5.540   0.086
  148   HG22  ILE  18          HG22      ILE  18  -1.477   4.173   0.032
  149   HG23  ILE  18          HG23      ILE  18  -1.701   5.534  -1.064
  150   HD11  ILE  18          HD11      ILE  18   2.272   4.907  -0.522
  151   HD12  ILE  18          HD12      ILE  18   2.564   3.479   0.473
  152   HD13  ILE  18          HD13      ILE  18   1.219   4.554   0.848
  153    HA   PRO  19           HA       PRO  19  -1.244   5.944  -3.304
  154    HB2  PRO  19           HB2      PRO  19  -1.872   7.428  -5.473
  155    HB3  PRO  19           HB1      PRO  19  -0.220   7.354  -4.827
  156    HG2  PRO  19           HG2      PRO  19  -1.386   6.010  -7.201
  157    HG3  PRO  19           HG1      PRO  19   0.240   6.665  -6.955
  158    HD2  PRO  19           HD2      PRO  19  -0.447   3.962  -6.765
  159    HD3  PRO  19           HD1      PRO  19   1.022   4.695  -6.088
  160    H    CYS  20           HN       CYS  20  -2.541   3.556  -5.265
  161    HA   CYS  20           HA       CYS  20  -5.113   4.456  -5.960
  162    HB2  CYS  20           HB2      CYS  20  -3.989   2.144  -6.356
  163    HB3  CYS  20           HB1      CYS  20  -4.661   1.716  -4.784
  164    H    LYS  21           HN       LYS  21  -3.854   3.362  -2.857
  165    HA   LYS  21           HA       LYS  21  -4.657   3.796  -0.697
  166    HB2  LYS  21           HB2      LYS  21  -5.710   5.881  -2.104
  167    HB3  LYS  21           HB1      LYS  21  -7.184   5.057  -1.591
  168    HG2  LYS  21           HG2      LYS  21  -6.148   4.996   0.753
  169    HG3  LYS  21           HG1      LYS  21  -4.963   6.150   0.139
  170    HD2  LYS  21           HD2      LYS  21  -7.362   7.226  -0.722
  171    HD3  LYS  21           HD1      LYS  21  -7.773   6.575   0.865
  172    HE2  LYS  21           HE2      LYS  21  -6.996   8.790   1.275
  173    HE3  LYS  21           HE1      LYS  21  -5.657   7.735   1.725
  174    HZ1  LYS  21           HZ1      LYS  21  -5.105   9.710   0.277
  175    HZ2  LYS  21           HZ2      LYS  21  -5.907   8.901  -0.984
  176    HZ3  LYS  21           HZ3      LYS  21  -4.536   8.204  -0.260
  177    H    HIS  22           HN       HIS  22  -5.373   1.533  -2.488
  178    HA   HIS  22           HA       HIS  22  -8.080   0.823  -1.514
  179    HB2  HIS  22           HB2      HIS  22  -6.328  -0.058  -3.725
  180    HB3  HIS  22           HB1      HIS  22  -7.260  -1.343  -2.951
  181    HD2  HIS  22           HD2      HIS  22 -10.133  -0.081  -2.504
  182    HE1  HIS  22           HE1      HIS  22  -9.935   1.422  -6.444
  183    HE2  HIS  22           HE2      HIS  22 -11.486   0.903  -4.505
  184    H    VAL  23           HN       VAL  23  -8.078  -1.786  -0.984
  185    HA   VAL  23           HA       VAL  23  -5.725  -2.404   0.693
  186    HB   VAL  23           HB       VAL  23  -6.812  -2.504   2.724
  187   HG11  VAL  23          HG11      VAL  23  -8.169  -0.485   2.981
  188   HG12  VAL  23          HG12      VAL  23  -8.433  -0.413   1.242
  189   HG13  VAL  23          HG13      VAL  23  -6.815  -0.164   1.901
  190   HG21  VAL  23          HG21      VAL  23  -9.297  -2.959   1.073
  191   HG22  VAL  23          HG22      VAL  23  -9.408  -2.520   2.777
  192   HG23  VAL  23          HG23      VAL  23  -8.583  -4.004   2.304
  193    H    PHE  24           HN       PHE  24  -5.560  -4.610   1.293
  194    HA   PHE  24           HA       PHE  24  -7.555  -6.565   0.441
  195    HB2  PHE  24           HB2      PHE  24  -4.855  -6.676  -0.926
  196    HB3  PHE  24           HB1      PHE  24  -6.257  -7.697  -1.233
  197    HD1  PHE  24           HD2      PHE  24  -8.222  -6.815  -2.441
  198    HD2  PHE  24           HD1      PHE  24  -4.705  -4.447  -1.807
  199    HE1  PHE  24           HE2      PHE  24  -8.982  -5.224  -4.184
  200    HE2  PHE  24           HE1      PHE  24  -5.458  -2.850  -3.550
  201    HZ   PHE  24           HZ       PHE  24  -7.594  -3.245  -4.752
  202    H    CYS  25           HN       CYS  25  -6.683  -8.840   0.985
  203    HA   CYS  25           HA       CYS  25  -5.636  -8.923   3.582
  204    HB2  CYS  25           HB2      CYS  25  -4.600 -11.230   2.336
  205    HB3  CYS  25           HB1      CYS  25  -6.118 -11.099   3.221
  206    H    TYR  26           HN       TYR  26  -3.762  -8.031   4.254
  207    HA   TYR  26           HA       TYR  26  -1.614  -7.227   2.646
  208    HB2  TYR  26           HB2      TYR  26  -1.927  -6.538   5.008
  209    HB3  TYR  26           HB1      TYR  26  -1.467  -8.158   5.520
  210    HD1  TYR  26           HD1      TYR  26  -0.088  -5.594   3.091
  211    HD2  TYR  26           HD2      TYR  26   0.690  -8.298   6.344
  212    HE1  TYR  26           HE1      TYR  26   2.298  -4.953   3.057
  213    HE2  TYR  26           HE2      TYR  26   3.079  -7.653   6.301
  214    HH   TYR  26           HH       TYR  26   4.595  -6.279   5.431
  215    H    ASP  27           HN       ASP  27  -2.462 -10.428   3.552
  216    HA   ASP  27           HA       ASP  27   0.232 -11.495   3.132
  217    HB2  ASP  27           HB2      ASP  27  -1.419 -12.656   4.614
  218    HB3  ASP  27           HB1      ASP  27  -2.435 -12.951   3.203
  219    H    CYS  28           HN       CYS  28  -2.707 -10.964   1.313
  220    HA   CYS  28           HA       CYS  28  -1.628 -12.326  -1.052
  221    HB2  CYS  28           HB2      CYS  28  -3.748 -12.163  -1.930
  222    HB3  CYS  28           HB1      CYS  28  -4.185 -11.910  -0.239
  223    H    ALA  29           HN       ALA  29  -1.747  -9.156   0.328
  224    HA   ALA  29           HA       ALA  29  -1.240  -7.720  -2.124
  225    HB1  ALA  29           HB1      ALA  29  -2.107  -6.860   0.212
  226    HB2  ALA  29           HB2      ALA  29  -1.073  -5.814  -0.758
  227    HB3  ALA  29           HB3      ALA  29  -0.390  -6.725   0.589
  228    H    ILE  30           HN       ILE  30   0.764  -9.219   0.374
  229    HA   ILE  30           HA       ILE  30   3.212  -8.212  -0.888
  230    HB   ILE  30           HB       ILE  30   4.359  -9.434   0.877
  231   HG12  ILE  30          HG12      ILE  30   2.413 -10.413   2.559
  232   HG13  ILE  30          HG11      ILE  30   1.803 -10.861   0.978
  233   HG21  ILE  30          HG21      ILE  30   3.559  -7.303   1.544
  234   HG22  ILE  30          HG22      ILE  30   3.127  -8.406   2.851
  235   HG23  ILE  30          HG23      ILE  30   1.905  -7.890   1.692
  236   HD11  ILE  30          HD11      ILE  30   3.966 -11.918   0.432
  237   HD12  ILE  30          HD12      ILE  30   3.262 -12.632   1.884
  238   HD13  ILE  30          HD13      ILE  30   4.579 -11.469   2.023
  239    H    LEU  31           HN       LEU  31   1.309 -11.191  -0.740
  240    HA   LEU  31           HA       LEU  31   3.332 -12.760  -2.133
  241    HB2  LEU  31           HB2      LEU  31   0.445 -13.153  -1.442
  242    HB3  LEU  31           HB1      LEU  31   1.170 -14.193  -2.662
  243    HG   LEU  31           HG       LEU  31   2.592 -13.752  -0.058
  244   HD11  LEU  31          HD11      LEU  31   0.068 -15.272  -0.507
  245   HD12  LEU  31          HD12      LEU  31   0.664 -14.490   0.957
  246   HD13  LEU  31          HD13      LEU  31   1.313 -16.055   0.467
  247   HD21  LEU  31          HD21      LEU  31   2.402 -16.372  -1.466
  248   HD22  LEU  31          HD22      LEU  31   3.789 -15.620  -0.679
  249   HD23  LEU  31          HD23      LEU  31   3.296 -15.095  -2.289
  250    H    HIS  32           HN       HIS  32   0.884 -10.475  -3.040
  251    HA   HIS  32           HA       HIS  32   0.849 -11.326  -5.848
  252    HB2  HIS  32           HB2      HIS  32  -0.362  -9.000  -4.341
  253    HB3  HIS  32           HB1      HIS  32  -0.464  -9.134  -6.096
  254    HD1  HIS  32           HD1      HIS  32  -3.148  -9.294  -5.268
  255    HD2  HIS  32           HD2      HIS  32  -0.724 -12.641  -4.708
  256    HE1  HIS  32           HE1      HIS  32  -4.708 -11.269  -4.973
  257    HE2  HIS  32           HE2      HIS  32  -3.242 -13.310  -4.631
  258    H    GLU  33           HN       GLU  33   2.331  -8.824  -3.849
  259    HA   GLU  33           HA       GLU  33   3.506  -7.403  -6.087
  260    HB2  GLU  33           HB2      GLU  33   3.714  -5.899  -4.424
  261    HB3  GLU  33           HB1      GLU  33   3.360  -7.125  -3.214
  262    HG2  GLU  33           HG2      GLU  33   5.712  -7.790  -3.139
  263    HG3  GLU  33           HG1      GLU  33   6.099  -6.653  -4.438
  264    H    LYS  34           HN       LYS  34   4.562 -10.038  -3.962
  265    HA   LYS  34           HA       LYS  34   7.264  -9.987  -5.105
  266    HB2  LYS  34           HB2      LYS  34   7.831 -11.572  -3.499
  267    HB3  LYS  34           HB1      LYS  34   6.515 -10.720  -2.693
  268    HG2  LYS  34           HG2      LYS  34   4.972 -12.493  -3.790
  269    HG3  LYS  34           HG1      LYS  34   6.456 -13.412  -4.049
  270    HD2  LYS  34           HD2      LYS  34   5.510 -12.366  -1.364
  271    HD3  LYS  34           HD1      LYS  34   5.354 -14.035  -1.915
  272    HE2  LYS  34           HE2      LYS  34   7.905 -13.963  -2.281
  273    HE3  LYS  34           HE1      LYS  34   7.879 -12.498  -1.300
  274    HZ1  LYS  34           HZ1      LYS  34   6.575 -14.975  -0.366
  275    HZ2  LYS  34           HZ2      LYS  34   7.119 -13.647   0.545
  276    HZ3  LYS  34           HZ3      LYS  34   8.237 -14.729  -0.135
  277    H    LYS  35           HN       LYS  35   4.265 -11.747  -5.625
  278    HA   LYS  35           HA       LYS  35   5.427 -13.905  -7.105
  279    HB2  LYS  35           HB2      LYS  35   3.183 -14.113  -6.191
  280    HB3  LYS  35           HB1      LYS  35   2.629 -12.736  -7.141
  281    HG2  LYS  35           HG2      LYS  35   1.973 -14.933  -8.128
  282    HG3  LYS  35           HG1      LYS  35   2.985 -13.984  -9.214
  283    HD2  LYS  35           HD2      LYS  35   4.857 -15.339  -8.864
  284    HD3  LYS  35           HD1      LYS  35   4.258 -15.929  -7.314
  285    HE2  LYS  35           HE2      LYS  35   2.657 -16.543  -9.765
  286    HE3  LYS  35           HE1      LYS  35   4.145 -17.452  -9.496
  287    HZ1  LYS  35           HZ1      LYS  35   1.638 -17.574  -8.087
  288    HZ2  LYS  35           HZ2      LYS  35   2.987 -17.468  -7.059
  289    HZ3  LYS  35           HZ3      LYS  35   2.878 -18.726  -8.195
  290    H    GLY  36           HN       GLY  36   4.932 -10.614  -7.847
  291    HA2  GLY  36           HA2      GLY  36   6.087  -9.754  -9.873
  292    HA3  GLY  36           HA1      GLY  36   5.484 -11.165 -10.743
  293    H    ASP  37           HN       ASP  37   3.573  -9.370  -8.435
  294    HA   ASP  37           HA       ASP  37   1.969  -8.192 -10.645
  295    HB2  ASP  37           HB2      ASP  37   1.031 -10.350  -9.416
  296    HB3  ASP  37           HB1      ASP  37   0.591  -9.177  -8.176
  297    H    LYS  38           HN       LYS  38   3.740  -6.627  -9.616
  298    HA   LYS  38           HA       LYS  38   3.071  -5.309  -7.142
  299    HB2  LYS  38           HB2      LYS  38   4.577  -3.461  -8.334
  300    HB3  LYS  38           HB1      LYS  38   5.292  -4.945  -7.708
  301    HG2  LYS  38           HG2      LYS  38   5.487  -5.908  -9.827
  302    HG3  LYS  38           HG1      LYS  38   4.235  -4.876 -10.520
  303    HD2  LYS  38           HD2      LYS  38   6.689  -3.551  -9.446
  304    HD3  LYS  38           HD1      LYS  38   6.825  -4.415 -10.978
  305    HE2  LYS  38           HE2      LYS  38   5.280  -3.022 -12.052
  306    HE3  LYS  38           HE1      LYS  38   4.547  -2.503 -10.534
  307    HZ1  LYS  38           HZ1      LYS  38   6.232  -0.988 -11.846
  308    HZ2  LYS  38           HZ2      LYS  38   7.371  -1.886 -10.962
  309    HZ3  LYS  38           HZ3      LYS  38   6.175  -0.992 -10.151
  310    H    MET  39           HN       MET  39   0.864  -5.608  -8.952
  311    HA   MET  39           HA       MET  39   0.155  -2.745  -9.366
  312    HB2  MET  39           HB2      MET  39   0.260  -4.849 -11.298
  313    HB3  MET  39           HB1      MET  39  -1.422  -4.365 -11.082
  314    HG2  MET  39           HG2      MET  39  -0.768  -1.996 -11.385
  315    HG3  MET  39           HG1      MET  39   0.901  -2.503 -11.647
  316    HE1  MET  39           HE1      MET  39   0.599  -0.965 -13.676
  317    HE2  MET  39           HE2      MET  39  -1.153  -0.791 -13.719
  318    HE3  MET  39           HE3      MET  39  -0.295  -1.357 -15.151
  319    H    CYS  40           HN       CYS  40  -1.770  -2.120  -8.451
  320    HA   CYS  40           HA       CYS  40  -3.011  -3.386  -6.371
  321    HB2  CYS  40           HB2      CYS  40  -3.551  -1.138  -7.910
  322    HB3  CYS  40           HB1      CYS  40  -5.016  -2.103  -8.056
  323    HA   PRO  41           HA       PRO  41  -4.466  -7.103  -8.662
  324    HB2  PRO  41           HB2      PRO  41  -5.653  -7.668  -5.990
  325    HB3  PRO  41           HB1      PRO  41  -4.675  -8.715  -7.035
  326    HG2  PRO  41           HG2      PRO  41  -3.682  -7.582  -4.826
  327    HG3  PRO  41           HG1      PRO  41  -2.699  -7.860  -6.273
  328    HD2  PRO  41           HD2      PRO  41  -3.797  -5.305  -5.208
  329    HD3  PRO  41           HD1      PRO  41  -2.330  -5.596  -6.167
  330    H    GLY  42           HN       GLY  42  -6.207  -4.660  -6.944
  331    HA2  GLY  42           HA2      GLY  42  -8.830  -5.697  -7.875
  332    HA3  GLY  42           HA1      GLY  42  -8.597  -4.380  -6.732
  333    H    CYS  43           HN       CYS  43  -6.793  -2.763  -8.165
  334    HA   CYS  43           HA       CYS  43  -8.555  -1.869 -10.398
  335    HB2  CYS  43           HB2      CYS  43  -6.415  -0.158  -9.188
  336    HB3  CYS  43           HB1      CYS  43  -7.946   0.324  -9.921
  337    H    SER  44           HN       SER  44  -5.309  -2.870  -9.628
  338    HA   SER  44           HA       SER  44  -3.574  -3.490 -11.083
  339    HB2  SER  44           HB2      SER  44  -5.717  -3.897 -12.648
  340    HB3  SER  44           HB1      SER  44  -5.026  -2.530 -13.513
  341    HG   SER  44           HG       SER  44  -4.297  -5.002 -13.710
  342    H    ASP  45           HN       ASP  45  -3.214  -1.222  -9.804
  343    HA   ASP  45           HA       ASP  45  -2.329   0.757 -11.857
  344    HB2  ASP  45           HB2      ASP  45  -3.908   1.071  -9.421
  345    HB3  ASP  45           HB1      ASP  45  -2.485   2.113  -9.430
  346    HA   PRO  46           HA       PRO  46   1.832   0.370 -10.505
  347    HB2  PRO  46           HB2      PRO  46   2.448   3.041  -9.853
  348    HB3  PRO  46           HB1      PRO  46   2.620   2.284 -11.444
  349    HG2  PRO  46           HG2      PRO  46   0.477   4.038 -10.406
  350    HG3  PRO  46           HG1      PRO  46   1.105   3.866 -12.053
  351    HD2  PRO  46           HD2      PRO  46  -1.288   2.828 -11.313
  352    HD3  PRO  46           HD1      PRO  46  -0.255   2.043 -12.529
  353    H    VAL  47           HN       VAL  47   1.347  -0.798  -8.537
  354    HA   VAL  47           HA       VAL  47   0.581   0.369  -6.063
  355    HB   VAL  47           HB       VAL  47   2.339  -2.040  -6.593
  356   HG11  VAL  47          HG11      VAL  47   0.816  -1.169  -4.123
  357   HG12  VAL  47          HG12      VAL  47   2.570  -1.293  -4.279
  358   HG13  VAL  47          HG13      VAL  47   1.575  -2.745  -4.338
  359   HG21  VAL  47          HG21      VAL  47  -0.485  -2.300  -5.746
  360   HG22  VAL  47          HG22      VAL  47   0.414  -3.221  -6.950
  361   HG23  VAL  47          HG23      VAL  47  -0.250  -1.639  -7.363
  362    H    GLN  48           HN       GLN  48   1.687   2.159  -5.316
  363    HA   GLN  48           HA       GLN  48   4.509   2.564  -5.709
  364    HB2  GLN  48           HB2      GLN  48   2.318   3.933  -4.255
  365    HB3  GLN  48           HB1      GLN  48   3.937   4.182  -3.604
  366    HG2  GLN  48           HG2      GLN  48   4.745   5.051  -5.667
  367    HG3  GLN  48           HG1      GLN  48   3.314   4.503  -6.540
  368   HE21  GLN  48          HE21      GLN  48   2.967   6.800  -7.215
  369   HE22  GLN  48          HE22      GLN  48   2.282   7.902  -6.122
  370    H    ARG  49           HN       ARG  49   2.733   2.083  -2.650
  371    HA   ARG  49           HA       ARG  49   4.766   0.108  -1.839
  372    HB2  ARG  49           HB2      ARG  49   4.504   1.858   0.404
  373    HB3  ARG  49           HB1      ARG  49   5.964   1.444  -0.489
  374    HG2  ARG  49           HG2      ARG  49   5.597   3.253  -2.055
  375    HG3  ARG  49           HG1      ARG  49   4.016   3.598  -1.352
  376    HD2  ARG  49           HD2      ARG  49   5.017   4.282   0.734
  377    HD3  ARG  49           HD1      ARG  49   6.612   3.755   0.195
  378    HE   ARG  49           HE       ARG  49   5.810   5.630  -1.704
  379   HH11  ARG  49          HH21      ARG  49   6.197   5.478   1.718
  380   HH12  ARG  49          HH22      ARG  49   6.607   7.153   1.880
  381   HH21  ARG  49          HH11      ARG  49   6.343   7.819  -1.513
  382   HH22  ARG  49          HH12      ARG  49   6.690   8.478   0.051
  383    H    ILE  50           HN       ILE  50   3.734  -1.506  -0.777
  384    HA   ILE  50           HA       ILE  50   0.958  -1.118   0.031
  385    HB   ILE  50           HB       ILE  50   2.551  -3.571   0.692
  386   HG12  ILE  50          HG12      ILE  50   1.432  -2.849  -2.026
  387   HG13  ILE  50          HG11      ILE  50   3.137  -3.014  -1.629
  388   HG21  ILE  50          HG21      ILE  50   0.514  -4.582   0.848
  389   HG22  ILE  50          HG22      ILE  50  -0.160  -3.661  -0.493
  390   HG23  ILE  50          HG23      ILE  50  -0.043  -2.930   1.107
  391   HD11  ILE  50          HD11      ILE  50   2.717  -5.389  -0.981
  392   HD12  ILE  50          HD12      ILE  50   2.383  -5.069  -2.682
  393   HD13  ILE  50          HD13      ILE  50   1.054  -5.210  -1.536
  394    H    GLU  51           HN       GLU  51   0.212  -1.176   2.124
  395    HA   GLU  51           HA       GLU  51   2.217  -1.310   4.310
  396    HB2  GLU  51           HB2      GLU  51   0.131   0.869   4.118
  397    HB3  GLU  51           HB1      GLU  51   1.437   0.733   5.301
  398    HG2  GLU  51           HG2      GLU  51   3.076   0.831   3.411
  399    HG3  GLU  51           HG1      GLU  51   1.727   1.158   2.321
  400    H    GLN  52           HN       GLN  52   1.419  -2.044   6.244
  401    HA   GLN  52           HA       GLN  52  -1.144  -3.481   6.070
  402    HB2  GLN  52           HB2      GLN  52  -0.402  -4.748   7.906
  403    HB3  GLN  52           HB1      GLN  52   1.092  -4.398   7.036
  404    HG2  GLN  52           HG2      GLN  52   1.208  -2.285   8.555
  405    HG3  GLN  52           HG1      GLN  52   0.053  -3.150   9.571
  406   HE21  GLN  52          HE21      GLN  52   0.775  -5.533  10.080
  407   HE22  GLN  52          HE22      GLN  52   2.425  -5.762  10.402
  408    H    CYS  53           HN       CYS  53  -2.921  -3.067   7.402
  409    HA   CYS  53           HA       CYS  53  -2.716  -0.890   9.392
  410    HB2  CYS  53           HB2      CYS  53  -3.748  -0.466   6.779
  411    HB3  CYS  53           HB1      CYS  53  -5.124  -0.477   7.881
  412    H    THR  54           HN       THR  54  -4.692  -0.806  10.776
  413    HA   THR  54           HA       THR  54  -5.715  -3.518  11.225
  414    HB   THR  54           HB       THR  54  -6.947  -1.484  12.878
  415    HG1  THR  54           HG1      THR  54  -4.813  -0.560  12.089
  416   HG21  THR  54          HG21      THR  54  -6.655  -3.869  13.463
  417   HG22  THR  54          HG22      THR  54  -5.905  -2.814  14.661
  418   HG23  THR  54          HG23      THR  54  -4.905  -3.644  13.469
  419    H    ARG  55           HN       ARG  55  -8.133  -3.765  11.637
  420    HA   ARG  55           HA       ARG  55  -9.603  -3.079   9.315
  421    HB2  ARG  55           HB2      ARG  55 -11.597  -3.846  10.572
  422    HB3  ARG  55           HB1      ARG  55 -10.244  -4.961  10.742
  423    HG2  ARG  55           HG2      ARG  55  -9.702  -3.480  12.871
  424    HG3  ARG  55           HG1      ARG  55 -11.419  -3.090  12.764
  425    HD2  ARG  55           HD2      ARG  55 -11.468  -4.992  14.109
  426    HD3  ARG  55           HD1      ARG  55 -11.700  -5.693  12.508
  427    HE   ARG  55           HE       ARG  55  -8.933  -5.669  12.899
  428   HH11  ARG  55          HH21      ARG  55 -11.741  -6.911  14.467
  429   HH12  ARG  55          HH22      ARG  55 -10.926  -8.291  15.126
  430   HH21  ARG  55          HH11      ARG  55  -7.852  -7.463  13.749
  431   HH22  ARG  55          HH12      ARG  55  -8.724  -8.603  14.719
  432    H    GLY  56           HN       GLY  56 -10.064  -1.738  12.611
  433    HA2  GLY  56           HA2      GLY  56 -11.733   0.407  11.582
  434    HA3  GLY  56           HA1      GLY  56 -11.133   0.269  13.235
  435    H    SER  57           HN       SER  57  -8.850   0.087  10.606
  436    HA   SER  57           HA       SER  57  -7.571   2.534  11.613
  437    HB2  SER  57           HB2      SER  57  -6.710   0.753   9.319
  438    HB3  SER  57           HB1      SER  57  -5.721   1.939  10.166
  439    HG   SER  57           HG       SER  57  -5.733   0.673  11.955
  440    H    LEU  58           HN       LEU  58  -9.775   1.672   9.163
  441    HA   LEU  58           HA       LEU  58  -9.438   4.361   7.927
  442    HB2  LEU  58           HB2      LEU  58 -10.320   2.154   6.143
  443    HB3  LEU  58           HB1      LEU  58  -9.359   3.578   5.772
  444    HG   LEU  58           HG       LEU  58  -8.325   1.175   7.311
  445   HD11  LEU  58          HD11      LEU  58  -7.861   2.010   4.435
  446   HD12  LEU  58          HD12      LEU  58  -8.879   0.665   4.946
  447   HD13  LEU  58          HD13      LEU  58  -7.141   0.620   5.245
  448   HD21  LEU  58          HD21      LEU  58  -7.368   3.844   7.019
  449   HD22  LEU  58          HD22      LEU  58  -6.345   2.818   6.019
  450   HD23  LEU  58          HD23      LEU  58  -6.524   2.474   7.738
  451    H    PHE  59           HN       PHE  59 -11.463   4.837   6.528
  452    HA   PHE  59           HA       PHE  59 -13.873   3.878   8.006
  453    HB2  PHE  59           HB2      PHE  59 -13.590   6.500   6.526
  454    HB3  PHE  59           HB1      PHE  59 -14.871   6.028   7.643
  455    HD1  PHE  59           HD1      PHE  59 -11.224   6.760   7.410
  456    HD2  PHE  59           HD2      PHE  59 -14.632   6.319   9.988
  457    HE1  PHE  59           HE1      PHE  59  -9.902   7.652   9.309
  458    HE2  PHE  59           HE2      PHE  59 -13.310   7.210  11.887
  459    HZ   PHE  59           HZ       PHE  59 -10.945   7.876  11.548
  460    H    MET  60           HN       MET  60 -15.219   2.659   6.781
  461    HA   MET  60           HA       MET  60 -14.817   2.536   3.871
  462    HB2  MET  60           HB2      MET  60 -16.778   1.083   5.676
  463    HB3  MET  60           HB1      MET  60 -16.509   0.730   3.968
  464    HG2  MET  60           HG2      MET  60 -14.016   0.813   5.495
  465    HG3  MET  60           HG1      MET  60 -15.133  -0.414   6.095
  466    HE1  MET  60           HE1      MET  60 -12.642  -2.410   4.091
  467    HE2  MET  60           HE2      MET  60 -14.028  -2.873   5.076
  468    HE3  MET  60           HE3      MET  60 -12.984  -1.554   5.601
  469    H    CYS  61           HN       CYS  61 -16.327   3.197   2.330
  470    HA   CYS  61           HA       CYS  61 -18.142   5.337   3.146
  471    HB2  CYS  61           HB2      CYS  61 -16.952   5.556   1.037
  472    HB3  CYS  61           HB1      CYS  61 -17.607   4.027   0.469
  473    H    SER  62           HN       SER  62 -20.409   5.251   3.144
  474    HA   SER  62           HA       SER  62 -21.651   2.572   2.643
  475    HB2  SER  62           HB2      SER  62 -21.369   3.152   5.101
  476    HB3  SER  62           HB1      SER  62 -22.485   4.487   4.833
  477    HG   SER  62           HG       SER  62 -23.264   2.009   3.864
  478    H    ILE  63           HN       ILE  63 -21.927   3.877   0.508
  479    HA   ILE  63           HA       ILE  63 -24.520   5.372   0.659
  480    HB   ILE  63           HB       ILE  63 -22.221   5.884  -1.254
  481   HG12  ILE  63          HG12      ILE  63 -22.129   6.640   1.285
  482   HG13  ILE  63          HG11      ILE  63 -21.637   7.742   0.006
  483   HG21  ILE  63          HG21      ILE  63 -23.701   7.961  -1.721
  484   HG22  ILE  63          HG22      ILE  63 -24.996   7.031  -0.967
  485   HG23  ILE  63          HG23      ILE  63 -24.201   6.420  -2.418
  486   HD11  ILE  63          HD11      ILE  63 -23.674   8.955   0.109
  487   HD12  ILE  63          HD12      ILE  63 -23.252   8.660   1.794
  488   HD13  ILE  63          HD13      ILE  63 -24.484   7.674   1.008
  489    H    VAL  64           HN       VAL  64 -22.605   2.894  -0.792
  490    HA   VAL  64           HA       VAL  64 -24.900   1.736  -2.108
  491    HB   VAL  64           HB       VAL  64 -24.678   3.262  -3.873
  492   HG11  VAL  64          HG11      VAL  64 -21.694   3.044  -3.396
  493   HG12  VAL  64          HG12      VAL  64 -22.721   4.453  -3.127
  494   HG13  VAL  64          HG13      VAL  64 -22.395   3.899  -4.770
  495   HG21  VAL  64          HG21      VAL  64 -22.640   1.244  -4.799
  496   HG22  VAL  64          HG22      VAL  64 -23.962   1.974  -5.708
  497   HG23  VAL  64          HG23      VAL  64 -24.304   0.751  -4.486
  498    H    GLN  65           HN       GLN  65 -24.486  -0.435  -2.531
  499    HA   GLN  65           HA       GLN  65 -22.337  -1.760  -1.338
  500    HB2  GLN  65           HB2      GLN  65 -23.549  -2.788  -3.902
  501    HB3  GLN  65           HB1      GLN  65 -23.029  -3.703  -2.486
  502    HG2  GLN  65           HG2      GLN  65 -25.483  -1.972  -2.800
  503    HG3  GLN  65           HG1      GLN  65 -25.390  -3.666  -2.314
  504   HE21  GLN  65          HE21      GLN  65 -24.210  -4.056  -0.148
  505   HE22  GLN  65          HE22      GLN  65 -24.398  -2.883   1.064
  506    H    GLY  66           HN       GLY  66 -20.233  -2.225  -1.948
  507    HA2  GLY  66           HA2      GLY  66 -18.239  -2.076  -3.179
  508    HA3  GLY  66           HA1      GLY  66 -19.245  -2.157  -4.627
  509    H    CYS  67           HN       CYS  67 -18.087   0.101  -2.131
  510    HA   CYS  67           HA       CYS  67 -18.794   2.404  -3.835
  511    HB2  CYS  67           HB2      CYS  67 -18.198   1.968  -1.025
  512    HB3  CYS  67           HB1      CYS  67 -17.290   3.328  -1.684
  513    H    LYS  68           HN       LYS  68 -16.790   4.165  -3.490
  514    HA   LYS  68           HA       LYS  68 -14.835   3.326  -5.386
  515    HB2  LYS  68           HB2      LYS  68 -15.520   5.716  -4.811
  516    HB3  LYS  68           HB1      LYS  68 -14.474   5.575  -3.397
  517    HG2  LYS  68           HG2      LYS  68 -12.847   6.313  -4.804
  518    HG3  LYS  68           HG1      LYS  68 -12.828   4.644  -5.378
  519    HD2  LYS  68           HD2      LYS  68 -14.556   5.260  -7.079
  520    HD3  LYS  68           HD1      LYS  68 -14.417   6.940  -6.558
  521    HE2  LYS  68           HE2      LYS  68 -12.710   7.168  -8.010
  522    HE3  LYS  68           HE1      LYS  68 -11.775   6.082  -6.984
  523    HZ1  LYS  68           HZ1      LYS  68 -12.946   4.228  -8.225
  524    HZ2  LYS  68           HZ2      LYS  68 -11.764   5.095  -9.084
  525    HZ3  LYS  68           HZ3      LYS  68 -13.412   5.408  -9.351
  526    H    ARG  69           HN       ARG  69 -14.352   4.047  -1.889
  527    HA   ARG  69           HA       ARG  69 -12.829   1.691  -1.376
  528    HB2  ARG  69           HB2      ARG  69 -10.577   2.907  -1.196
  529    HB3  ARG  69           HB1      ARG  69 -11.125   2.491  -2.814
  530    HG2  ARG  69           HG2      ARG  69 -11.852   4.728  -3.245
  531    HG3  ARG  69           HG1      ARG  69 -11.682   5.179  -1.549
  532    HD2  ARG  69           HD2      ARG  69  -9.482   5.628  -1.796
  533    HD3  ARG  69           HD1      ARG  69  -9.197   4.112  -2.650
  534    HE   ARG  69           HE       ARG  69  -9.175   5.389  -4.616
  535   HH11  ARG  69          HH21      ARG  69 -11.209   6.803  -2.219
  536   HH12  ARG  69          HH22      ARG  69 -11.662   8.152  -3.208
  537   HH21  ARG  69          HH11      ARG  69  -9.755   7.141  -5.922
  538   HH22  ARG  69          HH12      ARG  69 -10.840   8.342  -5.305
  539    H    THR  70           HN       THR  70 -11.057   2.470   0.519
  540    HA   THR  70           HA       THR  70 -12.793   3.579   2.633
  541    HB   THR  70           HB       THR  70 -10.261   3.054   3.702
  542    HG1  THR  70           HG1      THR  70 -10.153   0.789   2.780
  543   HG21  THR  70          HG21      THR  70 -11.405   0.912   4.485
  544   HG22  THR  70          HG22      THR  70 -12.786   1.406   3.506
  545   HG23  THR  70          HG23      THR  70 -12.250   2.416   4.849
  546    H    TYR  71           HN       TYR  71 -11.152   4.891   4.304
  547    HA   TYR  71           HA       TYR  71  -9.457   6.797   2.867
  548    HB2  TYR  71           HB2      TYR  71 -11.933   7.762   4.316
  549    HB3  TYR  71           HB1      TYR  71 -10.737   8.771   3.502
  550    HD1  TYR  71           HD1      TYR  71 -10.572   8.829   1.062
  551    HD2  TYR  71           HD2      TYR  71 -13.514   6.394   3.029
  552    HE1  TYR  71           HE1      TYR  71 -11.757   8.519  -1.093
  553    HE2  TYR  71           HE2      TYR  71 -14.696   6.087   0.874
  554    HH   TYR  71           HH       TYR  71 -14.818   6.716  -1.262
  555    H    LEU  72           HN       LEU  72  -8.598   8.458   4.565
  556    HA   LEU  72           HA       LEU  72  -8.090   6.928   7.071
  557    HB2  LEU  72           HB2      LEU  72  -6.313   9.153   6.781
  558    HB3  LEU  72           HB1      LEU  72  -5.931   7.434   6.759
  559    HG   LEU  72           HG       LEU  72  -6.906   9.015   4.360
  560   HD11  LEU  72          HD11      LEU  72  -4.194   8.345   5.426
  561   HD12  LEU  72          HD12      LEU  72  -4.740   9.794   4.581
  562   HD13  LEU  72          HD13      LEU  72  -4.432   8.311   3.679
  563   HD21  LEU  72          HD21      LEU  72  -7.174   7.006   3.363
  564   HD22  LEU  72          HD22      LEU  72  -6.856   6.228   4.912
  565   HD23  LEU  72          HD23      LEU  72  -5.529   6.544   3.795
  566    H    SER  73           HN       SER  73  -9.958   9.505   6.049
  567    HA   SER  73           HA       SER  73 -10.296  10.387   8.822
  568    HB2  SER  73           HB2      SER  73  -9.349  12.474   8.722
  569    HB3  SER  73           HB1      SER  73  -8.301  11.674   7.555
  570    HG   SER  73           HG       SER  73  -9.021  13.319   6.392
  571    H    GLN  74           HN       GLN  74 -12.356  11.065   9.125
  572    HA   GLN  74           HA       GLN  74 -14.428  10.722   7.341
  573    HB2  GLN  74           HB2      GLN  74 -14.098  12.024   9.858
  574    HB3  GLN  74           HB1      GLN  74 -15.043  13.093   8.821
  575    HG2  GLN  74           HG2      GLN  74 -16.562  11.588   9.985
  576    HG3  GLN  74           HG1      GLN  74 -16.538  11.162   8.273
  577   HE21  GLN  74          HE21      GLN  74 -15.655   9.101   7.676
  578   HE22  GLN  74          HE22      GLN  74 -15.148   7.954   8.820
  579    H    ARG  75           HN       ARG  75 -12.199  13.422   7.494
  580    HA   ARG  75           HA       ARG  75 -13.644  15.242   5.826
  581    HB2  ARG  75           HB2      ARG  75 -11.637  15.783   7.257
  582    HB3  ARG  75           HB1      ARG  75 -10.637  14.968   6.054
  583    HG2  ARG  75           HG2      ARG  75 -12.157  16.653   4.492
  584    HG3  ARG  75           HG1      ARG  75 -11.908  17.614   5.948
  585    HD2  ARG  75           HD2      ARG  75  -9.433  16.965   5.766
  586    HD3  ARG  75           HD1      ARG  75  -9.815  16.405   4.138
  587    HE   ARG  75           HE       ARG  75 -10.722  19.131   4.644
  588   HH11  ARG  75          HH21      ARG  75  -8.117  17.064   3.735
  589   HH12  ARG  75          HH22      ARG  75  -7.283  18.289   2.836
  590   HH21  ARG  75          HH11      ARG  75  -9.649  20.742   3.477
  591   HH22  ARG  75          HH12      ARG  75  -8.151  20.371   2.691
  592    H    ASP  76           HN       ASP  76 -11.465  12.570   5.075
  593    HA   ASP  76           HA       ASP  76 -11.433  13.248   2.218
  594    HB2  ASP  76           HB2      ASP  76 -10.265  11.035   3.896
  595    HB3  ASP  76           HB1      ASP  76 -10.317  10.886   2.140
  596    H    LEU  77           HN       LEU  77 -13.006  11.016   4.402
  597    HA   LEU  77           HA       LEU  77 -14.367   9.546   2.301
  598    HB2  LEU  77           HB2      LEU  77 -14.180   8.267   4.235
  599    HB3  LEU  77           HB1      LEU  77 -14.456   9.633   5.299
  600    HG   LEU  77           HG       LEU  77 -16.657   8.676   3.471
  601   HD11  LEU  77          HD11      LEU  77 -17.417   7.154   5.265
  602   HD12  LEU  77          HD12      LEU  77 -15.941   7.498   6.166
  603   HD13  LEU  77          HD13      LEU  77 -15.853   6.667   4.613
  604   HD21  LEU  77          HD21      LEU  77 -17.900  10.141   4.661
  605   HD22  LEU  77          HD22      LEU  77 -16.436  10.678   5.478
  606   HD23  LEU  77          HD23      LEU  77 -17.411   9.388   6.175
  607    H    GLN  78           HN       GLN  78 -14.963  12.356   4.307
  608    HA   GLN  78           HA       GLN  78 -17.749  12.540   3.534
  609    HB2  GLN  78           HB2      GLN  78 -16.884  13.654   5.602
  610    HB3  GLN  78           HB1      GLN  78 -15.946  14.741   4.576
  611    HG2  GLN  78           HG2      GLN  78 -18.013  15.855   5.186
  612    HG3  GLN  78           HG1      GLN  78 -18.094  15.444   3.474
  613   HE21  GLN  78          HE21      GLN  78 -19.524  13.632   2.841
  614   HE22  GLN  78          HE22      GLN  78 -20.724  13.068   3.901
  615    H    ALA  79           HN       ALA  79 -14.660  13.644   2.430
  616    HA   ALA  79           HA       ALA  79 -15.706  15.389   0.356
  617    HB1  ALA  79           HB1      ALA  79 -13.382  15.583   1.291
  618    HB2  ALA  79           HB2      ALA  79 -13.407  15.434  -0.467
  619    HB3  ALA  79           HB3      ALA  79 -12.990  14.040   0.530
  620    H    HIS  80           HN       HIS  80 -15.301  11.969   0.785
  621    HA   HIS  80           HA       HIS  80 -15.106  11.366  -2.054
  622    HB2  HIS  80           HB2      HIS  80 -14.363   9.596  -0.731
  623    HB3  HIS  80           HB1      HIS  80 -15.706   9.745   0.395
  624    HD1  HIS  80           HD1      HIS  80 -15.562   9.233  -3.392
  625    HD2  HIS  80           HD2      HIS  80 -17.362   7.609  -0.010
  626    HE1  HIS  80           HE1      HIS  80 -17.066   7.363  -4.209
  627    H    ILE  81           HN       ILE  81 -17.737  11.224   0.319
  628    HA   ILE  81           HA       ILE  81 -19.867  10.537  -1.374
  629    HB   ILE  81           HB       ILE  81 -20.321  12.733   0.571
  630   HG12  ILE  81          HG12      ILE  81 -18.659  11.569   1.764
  631   HG13  ILE  81          HG11      ILE  81 -20.194  11.081   2.460
  632   HG21  ILE  81          HG21      ILE  81 -22.222  11.642  -0.481
  633   HG22  ILE  81          HG22      ILE  81 -22.201  11.248   1.238
  634   HG23  ILE  81          HG23      ILE  81 -21.644  10.067   0.057
  635   HD11  ILE  81          HD11      ILE  81 -19.878   9.198   0.507
  636   HD12  ILE  81          HD12      ILE  81 -19.378   8.976   2.181
  637   HD13  ILE  81          HD13      ILE  81 -18.206   9.492   0.974
  638    H    ASN  82           HN       ASN  82 -18.746  13.812  -0.552
  639    HA   ASN  82           HA       ASN  82 -20.541  15.086  -2.398
  640    HB2  ASN  82           HB2      ASN  82 -17.943  16.316  -1.509
  641    HB3  ASN  82           HB1      ASN  82 -19.504  17.095  -1.777
  642   HD21  ASN  82          HD21      ASN  82 -17.619  16.733   0.720
  643   HD22  ASN  82          HD22      ASN  82 -18.701  16.254   1.937
  644    H    HIS  83           HN       HIS  83 -17.497  13.491  -2.812
  645    HA   HIS  83           HA       HIS  83 -16.926  14.974  -5.262
  646    HB2  HIS  83           HB2      HIS  83 -15.543  12.754  -3.813
  647    HB3  HIS  83           HB1      HIS  83 -15.068  13.185  -5.451
  648    HD1  HIS  83           HD1      HIS  83 -12.778  14.135  -4.592
  649    HD2  HIS  83           HD2      HIS  83 -16.127  16.092  -3.055
  650    HE1  HIS  83           HE1      HIS  83 -11.934  16.276  -3.528
  651    HE2  HIS  83           HE2      HIS  83 -13.964  17.473  -2.589
  652    H    ARG  84           HN       ARG  84 -18.426  11.870  -4.449
  653    HA   ARG  84           HA       ARG  84 -18.712  11.415  -7.390
  654    HB2  ARG  84           HB2      ARG  84 -18.537   9.109  -5.487
  655    HB3  ARG  84           HB1      ARG  84 -18.194   9.152  -7.209
  656    HG2  ARG  84           HG2      ARG  84 -16.484  10.684  -5.224
  657    HG3  ARG  84           HG1      ARG  84 -16.176   9.003  -5.617
  658    HD2  ARG  84           HD2      ARG  84 -16.413  11.158  -7.724
  659    HD3  ARG  84           HD1      ARG  84 -14.878  10.660  -7.017
  660    HE   ARG  84           HE       ARG  84 -15.929   8.275  -7.861
  661   HH11  ARG  84          HH21      ARG  84 -15.531  11.385  -9.293
  662   HH12  ARG  84          HH22      ARG  84 -15.347  10.768 -10.901
  663   HH21  ARG  84          HH11      ARG  84 -15.692   7.451  -9.952
  664   HH22  ARG  84          HH12      ARG  84 -15.438   8.541 -11.275
  665    H    HIS  85           HN       HIS  85 -20.306  11.340  -4.295
  666    HA   HIS  85           HA       HIS  85 -22.717  10.153  -5.576
  667    HB2  HIS  85           HB2      HIS  85 -22.318  10.730  -2.640
  668    HB3  HIS  85           HB1      HIS  85 -23.492   9.641  -3.381
  669    HD1  HIS  85           HD1      HIS  85 -22.811   7.257  -3.212
  670    HD2  HIS  85           HD2      HIS  85 -19.491   9.765  -3.482
  671    HE1  HIS  85           HE1      HIS  85 -20.773   5.759  -3.118
  672    H    MET  86           HN       MET  86 -21.704  12.848  -3.536
  673    HA   MET  86           HA       MET  86 -22.769  14.902  -3.083
  674    HB2  MET  86           HB2      MET  86 -21.927  14.812  -5.615
  675    HB3  MET  86           HB1      MET  86 -23.655  14.962  -5.931
  676    HG2  MET  86           HG2      MET  86 -23.509  16.874  -4.116
  677    HG3  MET  86           HG1      MET  86 -21.805  16.888  -4.568
  678    HE1  MET  86           HE1      MET  86 -25.061  19.100  -6.479
  679    HE2  MET  86           HE2      MET  86 -24.398  18.989  -4.851
  680    HE3  MET  86           HE3      MET  86 -25.417  17.691  -5.469
  681    H    ARG  87           HN       ARG  87 -24.461  12.590  -2.633
  682    HA   ARG  87           HA       ARG  87 -27.005  13.901  -2.431
  683    HB2  ARG  87           HB2      ARG  87 -27.284  13.552  -4.779
  684    HB3  ARG  87           HB1      ARG  87 -26.643  11.911  -4.681
  685    HG2  ARG  87           HG2      ARG  87 -28.581  11.077  -3.649
  686    HG3  ARG  87           HG1      ARG  87 -29.100  12.677  -3.118
  687    HD2  ARG  87           HD2      ARG  87 -30.412  11.752  -5.070
  688    HD3  ARG  87           HD1      ARG  87 -29.669  13.323  -5.370
  689    HE   ARG  87           HE       ARG  87 -28.347  12.296  -7.026
  690   HH11  ARG  87          HH21      ARG  87 -29.606  10.003  -4.780
  691   HH12  ARG  87          HH22      ARG  87 -29.003   8.628  -5.643
  692   HH21  ARG  87          HH11      ARG  87 -27.550  10.514  -8.163
  693   HH22  ARG  87          HH12      ARG  87 -27.838   8.917  -7.558
  694    H    ALA  88           HN       ALA  88 -28.561  12.545  -1.304
  695    HA   ALA  88           HA       ALA  88 -27.309  10.600   0.436
  696    HB1  ALA  88           HB1      ALA  88 -29.320  10.594   1.606
  697    HB2  ALA  88           HB2      ALA  88 -30.287  10.797   0.146
  698    HB3  ALA  88           HB3      ALA  88 -29.404  12.169   0.816
  699    H    GLY  89           HN       GLY  89 -27.446   8.355   0.361
  700    HA2  GLY  89           HA2      GLY  89 -28.238   7.203  -2.231
  701    HA3  GLY  89           HA1      GLY  89 -27.414   6.347  -0.926