*HEADER    TRANSCRIPTION REGULATION                13-MAR-98   1TBC      
*TITLE     HIV-1 TAT, NMR, 10 STRUCTURES                                 
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: TAT PROTEIN;                                       
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: TRANSACTIVATING REGULATORY PROTEIN;                 
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;    
*SOURCE   3 ORGANISM_COMMON: HIV-1;                                      
*SOURCE   4 VARIANT: ZAIRE 2;                                            
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PET;                          
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PTK3;                              
*SOURCE   9 EXPRESSION_SYSTEM_GENE: TATCYS-                              
*KEYWDS    TRANSCRIPTION REGULATION, HIV-1, TRANSACTIVATION, RNA         
*KEYWDS   2 BINDING, NMR STRUCTURE                                       
*EXPDTA    NMR, 10 STRUCTURES                                            
*AUTHOR    P.ROESCH,M.BOEHM,H.STICHT                                     
*REVDAT   1   12-OCT-04 1TBC    0   

!intraresidual NOEs 

assign (resid 1 and name HA) (resid 1 and name HB1)  2.0 0.2 2.2
assign (resid 1 and name HA) (resid 1 and name HB2)  2.0 0.2 2.2
assign (resid 1 and name HA) (resid 1 and name HD*)  2.0 0.2 2.2
assign (resid 1 and name HA) (resid 1 and name HG)  2.0 0.2 2.2
assign (resid 1 and name HB1) (resid 1 and name HB2)  2.0 0.2 0.9
assign (resid 1 and name HB1) (resid 1 and name HD*)  2.0 0.2 3.7
assign (resid 1 and name HG) (resid 1 and name HD*)  2.0 0.2 0.9
assign (resid 10 and name HA) (resid 10 and name HB1)  2.0 0.2 0.9
assign (resid 10 and name HA) (resid 10 and name HB2)  2.0 0.2 0.9
assign (resid 10 and name HA) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 10 and name HB1) (resid 10 and name HG*)  2.0 0.2 0.9
assign (resid 10 and name HD1) (resid 10 and name HB2)  2.0 0.2 2.2
assign (resid 10 and name HD1) (resid 10 and name HD2)  2.0 0.2 2.2
assign (resid 10 and name HD2) (resid 10 and name HA)  2.0 0.2 2.2
assign (resid 10 and name HD2) (resid 10 and name HB2)  2.0 0.2 2.2
assign (resid 10 and name HG*) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 11 and name HA) (resid 11 and name HB*)  2.0 0.2 0.9
assign (resid 11 and name HD1) (resid 11 and name HA)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 11 and name HB*)  2.0 0.2 2.2
assign (resid 11 and name HE1) (resid 11 and name HB*)  2.0 0.2 3.7
assign (resid 11 and name HE1) (resid 11 and name HD1)  2.0 0.2 0.9
assign (resid 11 and name HE1) (resid 11 and name HZ2)  2.0 0.2 2.2
assign (resid 11 and name HE3) (resid 11 and name HA)  2.0 0.2 3.7
assign (resid 11 and name HE3) (resid 11 and name HB*)  2.0 0.2 2.2
assign (resid 11 and name HE3) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 11 and name HE3) (resid 11 and name HH2)  2.0 0.2 2.2
assign (resid 11 and name HN) (resid 11 and name HA)  2.0 0.2 2.2
assign (resid 11 and name HN) (resid 11 and name HB*)  2.0 0.2 2.2
assign (resid 11 and name HN) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 11 and name HZ2) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 11 and name HZ2) (resid 11 and name HZ3)  2.0 0.2 2.2
assign (resid 11 and name HZ3) (resid 11 and name HH2)  2.0 0.2 2.2
assign (resid 12 and name HA) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 12 and name HA) (resid 12 and name HB2)  2.0 0.2 2.2
assign (resid 12 and name HB1) (resid 12 and name HB2)  2.0 0.2 0.9
assign (resid 12 and name HD21) (resid 12 and name HA)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 12 and name HD21) (resid 12 and name HB2)  2.0 0.2 2.2
assign (resid 12 and name HD21) (resid 12 and name HD22)  2.0 0.2 0.9
assign (resid 12 and name HD22) (resid 12 and name HA)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 12 and name HD22) (resid 12 and name HB2)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HA)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HB2)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HD21)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HD22)  2.0 0.2 3.7
assign (resid 13 and name HA) (resid 13 and name HB1)  2.0 0.2 2.2
assign (resid 13 and name HA) (resid 13 and name HB2)  2.0 0.2 2.2
assign (resid 13 and name HD2) (resid 13 and name HB1)  2.0 0.2 3.7
assign (resid 13 and name HD2) (resid 13 and name HB2)  2.0 0.2 2.2
assign (resid 13 and name HE1) (resid 13 and name HB1)  2.0 0.2 3.7
assign (resid 13 and name HE1) (resid 13 and name HD2)  2.0 0.2 3.7
assign (resid 13 and name HN) (resid 13 and name HB1)  2.0 0.2 2.2
assign (resid 13 and name HN) (resid 13 and name HB2)  2.0 0.2 2.2
assign (resid 13 and name HN) (resid 13 and name HD2)  2.0 0.2 3.7
assign (resid 14 and name HA) (resid 14 and name HB2)  2.0 0.2 0.9
assign (resid 14 and name HA) (resid 14 and name HD*)  2.0 0.2 2.2
assign (resid 14 and name HA) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 14 and name HB1) (resid 14 and name HB2)  2.0 0.2 0.9
assign (resid 14 and name HB1) (resid 14 and name HG*)  2.0 0.2 0.9
assign (resid 14 and name HD*) (resid 14 and name HB2)  2.0 0.2 2.2
assign (resid 14 and name HD*) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 15 and name HA1) (resid 15 and name HA2)  2.0 0.2 0.9
assign (resid 15 and name HN) (resid 15 and name HA1)  2.0 0.2 0.9
assign (resid 15 and name HN) (resid 15 and name HA2)  2.0 0.2 2.2
assign (resid 16 and name HA) (resid 16 and name HB1)  2.0 0.2 0.9
assign (resid 16 and name HA) (resid 16 and name HB2)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 16 and name HB2)  2.0 0.2 0.9
assign (resid 16 and name HN) (resid 16 and name HA)  2.0 0.2 2.2
assign (resid 16 and name HN) (resid 16 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 17 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 17 and name HB2)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 17 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HB1) (resid 17 and name HB2)  2.0 0.2 0.9
assign (resid 17 and name HB1) (resid 17 and name HB2)  2.0 0.2 0.9
assign (resid 17 and name HE21) (resid 17 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HE21) (resid 17 and name HB1)  2.0 0.2 3.7
assign (resid 17 and name HE21) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 17 and name HE21) (resid 17 and name HE22)  2.0 0.2 0.9
assign (resid 17 and name HE21) (resid 17 and name HG*)  2.0 0.2 0.9
assign (resid 17 and name HE22) (resid 17 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HE22) (resid 17 and name HB1)  2.0 0.2 3.7
assign (resid 17 and name HE22) (resid 17 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HG*) (resid 17 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HG*) (resid 17 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HG*) (resid 17 and name HB2)  2.0 0.2 2.2
assign (resid 17 and name HG*) (resid 17 and name HB2)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 17 and name HA)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 17 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 17 and name HB2)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 17 and name HG*)  2.0 0.2 2.2
assign (resid 18 and name HA) (resid 18 and name HB1)  2.0 0.2 2.2
assign (resid 18 and name HA) (resid 18 and name HG*)  2.0 0.2 2.2
assign (resid 18 and name HB1) (resid 18 and name HB2)  2.0 0.2 0.9
assign (resid 18 and name HD1) (resid 18 and name HB1)  2.0 0.2 2.2
assign (resid 18 and name HD1) (resid 18 and name HB2)  2.0 0.2 2.2
assign (resid 18 and name HD1) (resid 18 and name HD2)  2.0 0.2 0.9
assign (resid 18 and name HD1) (resid 18 and name HG*)  2.0 0.2 2.2
assign (resid 18 and name HD2) (resid 18 and name HB1)  2.0 0.2 3.7
assign (resid 18 and name HD2) (resid 18 and name HB2)  2.0 0.2 2.2
assign (resid 18 and name HD2) (resid 18 and name HG*)  2.0 0.2 2.2
assign (resid 18 and name HG*) (resid 18 and name HB2)  2.0 0.2 3.7
assign (resid 19 and name HA) (resid 19 and name HB1)  2.0 0.2 0.9
assign (resid 19 and name HA) (resid 19 and name HB2)  2.0 0.2 0.9
assign (resid 19 and name HA) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 19 and name HA) (resid 19 and name HE*)  2.0 0.2 3.7
assign (resid 19 and name HA) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 19 and name HA) (resid 19 and name HG2)  2.0 0.2 2.2
assign (resid 19 and name HB2) (resid 19 and name HG1)  2.0 0.2 2.2
assign (resid 19 and name HB2) (resid 19 and name HG2)  2.0 0.2 2.2
assign (resid 19 and name HD*) (resid 19 and name HG1)  2.0 0.2 2.2
assign (resid 19 and name HD*) (resid 19 and name HG2)  2.0 0.2 0.9
assign (resid 19 and name HE*) (resid 19 and name HB1)  2.0 0.2 3.7
assign (resid 19 and name HE*) (resid 19 and name HD*)  2.0 0.2 2.2
assign (resid 19 and name HG1) (resid 19 and name HG2)  2.0 0.2 0.9
assign (resid 19 and name HN) (resid 19 and name HA)  2.0 0.2 2.2
assign (resid 19 and name HN) (resid 19 and name HB1)  2.0 0.2 2.2
assign (resid 19 and name HN) (resid 19 and name HB2)  2.0 0.2 2.2
assign (resid 19 and name HN) (resid 19 and name HD*)  2.0 0.2 3.7
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assign (resid 19 and name HN) (resid 19 and name HZ*)  2.0 0.2 3.7
assign (resid 2 and name HA) (resid 2 and name HB1)  2.0 0.2 0.9
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assign (resid 2 and name HN) (resid 2 and name HA)  2.0 0.2 2.2
assign (resid 2 and name HN) (resid 2 and name HB1)  2.0 0.2 2.2
assign (resid 2 and name HN) (resid 2 and name HB2)  2.0 0.2 2.2
assign (resid 20 and name HA) (resid 20 and name HB)  2.0 0.2 2.2
assign (resid 20 and name HA) (resid 20 and name HG2*)  2.0 0.2 2.2
assign (resid 20 and name HB) (resid 20 and name HG2*)  2.0 0.2 2.2
assign (resid 20 and name HN) (resid 20 and name HA)  2.0 0.2 2.2
assign (resid 20 and name HN) (resid 20 and name HB)  2.0 0.2 2.2
assign (resid 20 and name HN) (resid 20 and name HG2*)  2.0 0.2 2.2
assign (resid 21 and name HA) (resid 21 and name HB*)  2.0 0.2 0.9
assign (resid 21 and name HN) (resid 21 and name HA)  2.0 0.2 0.9
assign (resid 21 and name HN) (resid 21 and name HB*)  2.0 0.2 2.2
assign (resid 22 and name HA) (resid 22 and name HB1)  2.0 0.2 2.2
assign (resid 22 and name HA) (resid 22 and name HB2)  2.0 0.2 0.9
assign (resid 22 and name HB1) (resid 22 and name HB2)  2.0 0.2 0.9
assign (resid 22 and name HN) (resid 22 and name HA)  2.0 0.2 2.2
assign (resid 22 and name HN) (resid 22 and name HB1)  2.0 0.2 2.2
assign (resid 22 and name HN) (resid 22 and name HB2)  2.0 0.2 2.2
assign (resid 23 and name HA) (resid 23 and name HB*)  2.0 0.2 2.2
assign (resid 23 and name HD21) (resid 23 and name HA)  2.0 0.2 3.7
assign (resid 23 and name HD21) (resid 23 and name HB*)  2.0 0.2 2.2
assign (resid 23 and name HD21) (resid 23 and name HD22)  2.0 0.2 0.9
assign (resid 23 and name HD22) (resid 23 and name HA)  2.0 0.2 3.7
assign (resid 23 and name HD22) (resid 23 and name HB*)  2.0 0.2 2.2
assign (resid 23 and name HN) (resid 23 and name HA)  2.0 0.2 2.2
assign (resid 23 and name HN) (resid 23 and name HB*)  2.0 0.2 2.2
assign (resid 24 and name HA) (resid 24 and name HB1)  2.0 0.2 2.2
assign (resid 24 and name HA) (resid 24 and name HB2)  2.0 0.2 2.2
assign (resid 24 and name HA) (resid 24 and name HD*)  2.0 0.2 2.2
assign (resid 24 and name HA) (resid 24 and name HG*)  2.0 0.2 2.2
assign (resid 24 and name HB1) (resid 24 and name HB2)  2.0 0.2 0.9
assign (resid 24 and name HB1) (resid 24 and name HG*)  2.0 0.2 2.2
assign (resid 24 and name HB2) (resid 24 and name HG*)  2.0 0.2 2.2
assign (resid 24 and name HD*) (resid 24 and name HB1)  2.0 0.2 2.2
assign (resid 24 and name HD*) (resid 24 and name HB2)  2.0 0.2 2.2
assign (resid 24 and name HD*) (resid 24 and name HG*)  2.0 0.2 0.9
assign (resid 24 and name HE) (resid 24 and name HA)  2.0 0.2 3.7
assign (resid 24 and name HE) (resid 24 and name HB1)  2.0 0.2 2.2
assign (resid 24 and name HE) (resid 24 and name HD*)  2.0 0.2 0.9
assign (resid 24 and name HE) (resid 24 and name HG*)  2.0 0.2 2.2
assign (resid 24 and name HN) (resid 24 and name HA)  2.0 0.2 2.2
assign (resid 24 and name HN) (resid 24 and name HB1)  2.0 0.2 2.2
assign (resid 24 and name HN) (resid 24 and name HB2)  2.0 0.2 3.7
assign (resid 24 and name HN) (resid 24 and name HD*)  2.0 0.2 2.2
assign (resid 24 and name HN) (resid 24 and name HG*)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 25 and name HB*)  2.0 0.2 2.2
assign (resid 25 and name HN) (resid 25 and name HA)  2.0 0.2 2.2
assign (resid 25 and name HN) (resid 25 and name HB*)  2.0 0.2 2.2
assign (resid 26 and name HA) (resid 26 and name HB1)  2.0 0.2 2.2
assign (resid 26 and name HA) (resid 26 and name HB2)  2.0 0.2 2.2
assign (resid 26 and name HB1) (resid 26 and name HB2)  2.0 0.2 0.9
assign (resid 26 and name HD2) (resid 26 and name HA)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 26 and name HB1)  2.0 0.2 2.2
assign (resid 26 and name HD2) (resid 26 and name HB2)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 26 and name HA)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 26 and name HB1)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 26 and name HB2)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 26 and name HD2)  2.0 0.2 3.7
assign (resid 27 and name HA) (resid 27 and name HB*)  2.0 0.2 0.9
assign (resid 27 and name HN) (resid 27 and name HA)  2.0 0.2 2.2
assign (resid 27 and name HN) (resid 27 and name HB*)  2.0 0.2 2.2
assign (resid 28 and name HA) (resid 28 and name HB1)  2.0 0.2 0.9
assign (resid 28 and name HA) (resid 28 and name HB2)  2.0 0.2 0.9
assign (resid 28 and name HA) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 28 and name HA) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HB1) (resid 28 and name HB2)  2.0 0.2 0.9
assign (resid 28 and name HB1) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HB2) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HD*) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HE*) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 28 and name HE*) (resid 28 and name HB2)  2.0 0.2 3.7
assign (resid 28 and name HE*) (resid 28 and name HD*)  2.0 0.2 0.9
assign (resid 28 and name HE*) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HN) (resid 28 and name HA)  2.0 0.2 0.9
assign (resid 28 and name HN) (resid 28 and name HB1)  2.0 0.2 2.2
assign (resid 28 and name HN) (resid 28 and name HB2)  2.0 0.2 2.2
assign (resid 28 and name HN) (resid 28 and name HG*)  2.0 0.2 3.7
assign (resid 28 and name HZ*) (resid 28 and name HA)  2.0 0.2 3.7
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assign (resid 28 and name HZ*) (resid 28 and name HE*)  2.0 0.2 2.2
assign (resid 29 and name HA) (resid 29 and name HB*)  2.0 0.2 2.2
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assign (resid 29 and name HA) (resid 29 and name HE*)  2.0 0.2 3.7
assign (resid 29 and name HA) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 29 and name HB*) (resid 29 and name HG*)  2.0 0.2 2.2
assign (resid 29 and name HD*) (resid 29 and name HG*)  2.0 0.2 0.9
assign (resid 29 and name HE*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 29 and name HE*) (resid 29 and name HD*)  2.0 0.2 0.9
assign (resid 29 and name HE*) (resid 29 and name HG*)  2.0 0.2 2.2
assign (resid 29 and name HN) (resid 29 and name HA)  2.0 0.2 0.9
assign (resid 29 and name HN) (resid 29 and name HB*)  2.0 0.2 2.2
assign (resid 29 and name HN) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 29 and name HN) (resid 29 and name HE*)  2.0 0.2 3.7
assign (resid 29 and name HN) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 3 and name HA) (resid 3 and name HB*)  2.0 0.2 0.9
assign (resid 3 and name HA) (resid 3 and name HD1)  2.0 0.2 3.7
assign (resid 3 and name HA) (resid 3 and name HG*)  2.0 0.2 2.2
assign (resid 3 and name HB*) (resid 3 and name HG*)  2.0 0.2 2.2
assign (resid 3 and name HD1) (resid 3 and name HB*)  2.0 0.2 2.2
assign (resid 3 and name HD1) (resid 3 and name HD2)  2.0 0.2 0.9
assign (resid 3 and name HD1) (resid 3 and name HG*)  2.0 0.2 0.9
assign (resid 3 and name HD2) (resid 3 and name HB*)  2.0 0.2 2.2
assign (resid 3 and name HD2) (resid 3 and name HG*)  2.0 0.2 0.9
assign (resid 30 and name HA) (resid 30 and name HB*)  2.0 0.2 0.9
assign (resid 30 and name HN) (resid 30 and name HA)  2.0 0.2 2.2
assign (resid 30 and name HN) (resid 30 and name HB*)  2.0 0.2 2.2
assign (resid 31 and name HA) (resid 31 and name HB*)  2.0 0.2 2.2
assign (resid 31 and name HN) (resid 31 and name HA)  2.0 0.2 2.2
assign (resid 31 and name HN) (resid 31 and name HB*)  2.0 0.2 2.2
assign (resid 32 and name HA) (resid 32 and name HB1)  2.0 0.2 2.2
assign (resid 32 and name HA) (resid 32 and name HB2)  2.0 0.2 2.2
assign (resid 32 and name HB1) (resid 32 and name HB2)  2.0 0.2 0.9
assign (resid 32 and name HD*) (resid 32 and name HA)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 32 and name HB1)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 32 and name HB2)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 32 and name HE*)  2.0 0.2 0.9
assign (resid 32 and name HE*) (resid 32 and name HB1)  2.0 0.2 3.7
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assign (resid 32 and name HN) (resid 32 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 32 and name HB1)  2.0 0.2 3.7
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assign (resid 32 and name HN) (resid 32 and name HD*)  2.0 0.2 3.7
assign (resid 33 and name HA) (resid 33 and name HB1)  2.0 0.2 2.2
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assign (resid 33 and name HB1) (resid 33 and name HB2)  2.0 0.2 0.9
assign (resid 33 and name HD2) (resid 33 and name HA)  2.0 0.2 2.2
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assign (resid 33 and name HE1) (resid 33 and name HD2)  2.0 0.2 3.7
assign (resid 33 and name HN) (resid 33 and name HA)  2.0 0.2 2.2
assign (resid 33 and name HN) (resid 33 and name HB1)  2.0 0.2 2.2
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assign (resid 33 and name HN) (resid 33 and name HD2)  2.0 0.2 3.7
assign (resid 34 and name HA) (resid 34 and name HB1)  2.0 0.2 0.9
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assign (resid 34 and name HN) (resid 34 and name HA)  2.0 0.2 0.9
assign (resid 34 and name HN) (resid 34 and name HB1)  2.0 0.2 2.2
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assign (resid 35 and name HA) (resid 35 and name HB1)  2.0 0.2 2.2
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assign (resid 35 and name HA) (resid 35 and name HG*)  2.0 0.2 2.2
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assign (resid 35 and name HE21) (resid 35 and name HA)  2.0 0.2 3.7
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assign (resid 35 and name HE21) (resid 35 and name HE22)  2.0 0.2 0.9
assign (resid 35 and name HE21) (resid 35 and name HG*)  2.0 0.2 0.9
assign (resid 35 and name HE22) (resid 35 and name HA)  2.0 0.2 3.7
assign (resid 35 and name HE22) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 35 and name HE22) (resid 35 and name HG*)  2.0 0.2 2.2
assign (resid 35 and name HG*) (resid 35 and name HB1)  2.0 0.2 2.2
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assign (resid 35 and name HN) (resid 35 and name HA)  2.0 0.2 2.2
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assign (resid 66 and name HE21) (resid 66 and name HG*)  2.0 0.2 2.2
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assign (resid 66 and name HG*) (resid 66 and name HB1)  2.0 0.2 0.9
assign (resid 66 and name HG*) (resid 66 and name HB2)  2.0 0.2 0.9
assign (resid 66 and name HN) (resid 66 and name HA)  2.0 0.2 0.9
assign (resid 66 and name HN) (resid 66 and name HB1)  2.0 0.2 3.7
assign (resid 66 and name HN) (resid 66 and name HB2)  2.0 0.2 2.2
assign (resid 66 and name HN) (resid 66 and name HG*)  2.0 0.2 2.2
assign (resid 67 and name HA) (resid 67 and name HB1)  2.0 0.2 2.2
assign (resid 67 and name HA) (resid 67 and name HB2)  2.0 0.2 2.2
assign (resid 67 and name HB1) (resid 67 and name HB2)  2.0 0.2 0.9
assign (resid 67 and name HN) (resid 67 and name HA)  2.0 0.2 3.7
assign (resid 67 and name HN) (resid 67 and name HB1)  2.0 0.2 2.2
assign (resid 67 and name HN) (resid 67 and name HB2)  2.0 0.2 2.2
assign (resid 68 and name HA) (resid 68 and name HB*)  2.0 0.2 2.2
assign (resid 68 and name HA) (resid 68 and name HG*)  2.0 0.2 2.2
assign (resid 68 and name HD1) (resid 68 and name HB*)  2.0 0.2 2.2
assign (resid 68 and name HD1) (resid 68 and name HD2)  2.0 0.2 0.9
assign (resid 68 and name HD1) (resid 68 and name HG*)  2.0 0.2 0.9
assign (resid 68 and name HD2) (resid 68 and name HB*)  2.0 0.2 2.2
assign (resid 68 and name HD2) (resid 68 and name HG*)  2.0 0.2 0.9
assign (resid 69 and name HA) (resid 69 and name HB)  2.0 0.2 2.2
assign (resid 69 and name HA) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 69 and name HA) (resid 69 and name HG11)  2.0 0.2 3.7
assign (resid 69 and name HA) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 69 and name HA) (resid 69 and name HG2*)  2.0 0.2 2.2
assign (resid 69 and name HB) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 69 and name HB) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 69 and name HB) (resid 69 and name HG2*)  2.0 0.2 2.2
assign (resid 69 and name HG11) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 69 and name HG11) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 69 and name HG11) (resid 69 and name HG2*)  2.0 0.2 2.2
assign (resid 69 and name HG12) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 69 and name HN) (resid 69 and name HB)  2.0 0.2 2.2
assign (resid 69 and name HN) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 69 and name HN) (resid 69 and name HG11)  2.0 0.2 3.7
assign (resid 69 and name HN) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 69 and name HN) (resid 69 and name HG2*)  2.0 0.2 3.7
assign (resid 7 and name HA) (resid 7 and name HB1)  2.0 0.2 2.2
assign (resid 7 and name HA) (resid 7 and name HB2)  2.0 0.2 2.2
assign (resid 7 and name HB1) (resid 7 and name HB2)  2.0 0.2 0.9
assign (resid 7 and name HD21) (resid 7 and name HA)  2.0 0.2 2.2
assign (resid 7 and name HD21) (resid 7 and name HB1)  2.0 0.2 2.2
assign (resid 7 and name HD21) (resid 7 and name HB2)  2.0 0.2 2.2
assign (resid 7 and name HD21) (resid 7 and name HD22)  2.0 0.2 0.9
assign (resid 7 and name HD22) (resid 7 and name HA)  2.0 0.2 3.7
assign (resid 7 and name HD22) (resid 7 and name HB1)  2.0 0.2 2.2
assign (resid 7 and name HD22) (resid 7 and name HB2)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 7 and name HA)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 7 and name HB1)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 7 and name HB2)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 7 and name HD21)  2.0 0.2 3.7
assign (resid 7 and name HN) (resid 7 and name HD22)  2.0 0.2 3.7
assign (resid 70 and name HA) (resid 70 and name HB1)  2.0 0.2 0.9
assign (resid 70 and name HA) (resid 70 and name HD2)  2.0 0.2 2.2
assign (resid 70 and name HA) (resid 70 and name HG*)  2.0 0.2 2.2
assign (resid 70 and name HB1) (resid 70 and name HB2)  2.0 0.2 0.9
assign (resid 70 and name HB1) (resid 70 and name HG*)  2.0 0.2 0.9
assign (resid 70 and name HD1) (resid 70 and name HB1)  2.0 0.2 2.2
assign (resid 70 and name HD1) (resid 70 and name HB2)  2.0 0.2 2.2
assign (resid 70 and name HD1) (resid 70 and name HD2)  2.0 0.2 0.9
assign (resid 70 and name HD1) (resid 70 and name HD2)  2.0 0.2 2.2
assign (resid 70 and name HD2) (resid 70 and name HB1)  2.0 0.2 2.2
assign (resid 70 and name HD2) (resid 70 and name HB2)  2.0 0.2 2.2
assign (resid 71 and name HA) (resid 71 and name HB1)  2.0 0.2 0.9
assign (resid 71 and name HA) (resid 71 and name HB2)  2.0 0.2 0.9
assign (resid 71 and name HA) (resid 71 and name HD*)  2.0 0.2 3.7
assign (resid 71 and name HA) (resid 71 and name HE*)  2.0 0.2 3.7
assign (resid 71 and name HA) (resid 71 and name HG*)  2.0 0.2 2.2
assign (resid 71 and name HB1) (resid 71 and name HB2)  2.0 0.2 0.9
assign (resid 71 and name HB1) (resid 71 and name HD*)  2.0 0.2 2.2
assign (resid 71 and name HB1) (resid 71 and name HG*)  2.0 0.2 2.2
assign (resid 71 and name HB2) (resid 71 and name HD*)  2.0 0.2 2.2
assign (resid 71 and name HB2) (resid 71 and name HG*)  2.0 0.2 0.9
assign (resid 71 and name HE*) (resid 71 and name HB1)  2.0 0.2 3.7
assign (resid 71 and name HE*) (resid 71 and name HB2)  2.0 0.2 3.7
assign (resid 71 and name HE*) (resid 71 and name HD*)  2.0 0.2 2.2
assign (resid 71 and name HN) (resid 71 and name HA)  2.0 0.2 0.9
assign (resid 71 and name HN) (resid 71 and name HB1)  2.0 0.2 2.2
assign (resid 71 and name HN) (resid 71 and name HB2)  2.0 0.2 2.2
assign (resid 71 and name HN) (resid 71 and name HD*)  2.0 0.2 3.7
assign (resid 71 and name HN) (resid 71 and name HE*)  2.0 0.2 3.7
assign (resid 71 and name HN) (resid 71 and name HG*)  2.0 0.2 2.2
assign (resid 72 and name HA) (resid 72 and name HB1)  2.0 0.2 2.2
assign (resid 72 and name HA) (resid 72 and name HB2)  2.0 0.2 2.2
assign (resid 72 and name HA) (resid 72 and name HG*)  2.0 0.2 2.2
assign (resid 72 and name HB1) (resid 72 and name HB2)  2.0 0.2 0.9
assign (resid 72 and name HE21) (resid 72 and name HA)  2.0 0.2 2.2
assign (resid 72 and name HE21) (resid 72 and name HB1)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 72 and name HB2)  2.0 0.2 2.2
assign (resid 72 and name HE21) (resid 72 and name HG*)  2.0 0.2 0.9
assign (resid 72 and name HE22) (resid 72 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 72 and name HB2)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 72 and name HG*)  2.0 0.2 2.2
assign (resid 72 and name HG*) (resid 72 and name HB1)  2.0 0.2 0.9
assign (resid 72 and name HG*) (resid 72 and name HB2)  2.0 0.2 2.2
assign (resid 72 and name HN) (resid 72 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 72 and name HB1)  2.0 0.2 2.2
assign (resid 72 and name HN) (resid 72 and name HB2)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 72 and name HG*)  2.0 0.2 2.2
assign (resid 73 and name HA) (resid 73 and name HB1)  2.0 0.2 0.9
assign (resid 73 and name HA) (resid 73 and name HB2)  2.0 0.2 0.9
assign (resid 73 and name HA) (resid 73 and name HD*)  2.0 0.2 2.2
assign (resid 73 and name HA) (resid 73 and name HG*)  2.0 0.2 2.2
assign (resid 73 and name HB1) (resid 73 and name HB2)  2.0 0.2 2.2
assign (resid 73 and name HB1) (resid 73 and name HG*)  2.0 0.2 0.9
assign (resid 73 and name HD*) (resid 73 and name HB1)  2.0 0.2 2.2
assign (resid 73 and name HD*) (resid 73 and name HB2)  2.0 0.2 2.2
assign (resid 73 and name HD*) (resid 73 and name HG*)  2.0 0.2 2.2
assign (resid 74 and name HA) (resid 74 and name HB1)  2.0 0.2 2.2
assign (resid 74 and name HA) (resid 74 and name HB2)  2.0 0.2 2.2
assign (resid 74 and name HN) (resid 74 and name HA)  2.0 0.2 2.2
assign (resid 74 and name HN) (resid 74 and name HB1)  2.0 0.2 2.2
assign (resid 74 and name HN) (resid 74 and name HB2)  2.0 0.2 2.2
assign (resid 75 and name HA) (resid 75 and name HB*)  2.0 0.2 2.2
assign (resid 75 and name HN) (resid 75 and name HA)  2.0 0.2 2.2
assign (resid 75 and name HN) (resid 75 and name HB*)  2.0 0.2 2.2
assign (resid 76 and name HA) (resid 76 and name HB1)  2.0 0.2 2.2
assign (resid 76 and name HA) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HA) (resid 76 and name HG*)  2.0 0.2 2.2
assign (resid 76 and name HB1) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HE21) (resid 76 and name HA)  2.0 0.2 2.2
assign (resid 76 and name HE21) (resid 76 and name HB1)  2.0 0.2 3.7
assign (resid 76 and name HE21) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HE21) (resid 76 and name HE22)  2.0 0.2 0.9
assign (resid 76 and name HE21) (resid 76 and name HG*)  2.0 0.2 2.2
assign (resid 76 and name HE22) (resid 76 and name HB2)  2.0 0.2 3.7
assign (resid 76 and name HE22) (resid 76 and name HG*)  2.0 0.2 2.2
assign (resid 76 and name HG*) (resid 76 and name HB1)  2.0 0.2 2.2
assign (resid 76 and name HG*) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HN) (resid 76 and name HA)  2.0 0.2 2.2
assign (resid 76 and name HN) (resid 76 and name HB1)  2.0 0.2 2.2
assign (resid 76 and name HN) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HN) (resid 76 and name HG*)  2.0 0.2 2.2
assign (resid 77 and name HA) (resid 77 and name HB1)  2.0 0.2 0.9
assign (resid 77 and name HA) (resid 77 and name HB2)  2.0 0.2 2.2
assign (resid 77 and name HA) (resid 77 and name HD1)  2.0 0.2 2.2
assign (resid 77 and name HA) (resid 77 and name HD2)  2.0 0.2 2.2
assign (resid 77 and name HB1) (resid 77 and name HB2)  2.0 0.2 0.9
assign (resid 77 and name HB1) (resid 77 and name HG*)  2.0 0.2 0.9
assign (resid 77 and name HD1) (resid 77 and name HB1)  2.0 0.2 2.2
assign (resid 77 and name HD1) (resid 77 and name HB2)  2.0 0.2 2.2
assign (resid 77 and name HD1) (resid 77 and name HD2)  2.0 0.2 0.9
assign (resid 77 and name HD1) (resid 77 and name HG*)  2.0 0.2 2.2
assign (resid 77 and name HD2) (resid 77 and name HB1)  2.0 0.2 2.2
assign (resid 77 and name HD2) (resid 77 and name HB2)  2.0 0.2 2.2
assign (resid 78 and name HA) (resid 78 and name HB1)  2.0 0.2 2.2
assign (resid 78 and name HA) (resid 78 and name HB2)  2.0 0.2 0.9
assign (resid 78 and name HA) (resid 78 and name HG*)  2.0 0.2 2.2
assign (resid 78 and name HB1) (resid 78 and name HB2)  2.0 0.2 0.9
assign (resid 78 and name HD*) (resid 78 and name HB1)  2.0 0.2 2.2
assign (resid 78 and name HD*) (resid 78 and name HG*)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 78 and name HA)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 78 and name HB1)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 78 and name HB2)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 78 and name HG*)  2.0 0.2 3.7
assign (resid 79 and name HN) (resid 79 and name HA*)  2.0 0.2 0.9
assign (resid 8 and name HA) (resid 8 and name HB)  2.0 0.2 2.2
assign (resid 8 and name HA) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 8 and name HA) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 8 and name HA) (resid 8 and name HG2*)  2.0 0.2 2.2
assign (resid 8 and name HB) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 8 and name HB) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 8 and name HB) (resid 8 and name HG2*)  2.0 0.2 2.2
assign (resid 8 and name HG1*) (resid 8 and name HD*)  2.0 0.2 0.9
assign (resid 8 and name HG2*) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 8 and name HN) (resid 8 and name HA)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 8 and name HB)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 8 and name HG2*)  2.0 0.2 2.2
assign (resid 80 and name HA) (resid 80 and name HB1)  2.0 0.2 2.2
assign (resid 80 and name HA) (resid 80 and name HB2)  2.0 0.2 2.2
assign (resid 80 and name HB1) (resid 80 and name HB2)  2.0 0.2 0.9
assign (resid 80 and name HN) (resid 80 and name HA)  2.0 0.2 2.2
assign (resid 80 and name HN) (resid 80 and name HB1)  2.0 0.2 2.2
assign (resid 80 and name HN) (resid 80 and name HB2)  2.0 0.2 2.2
assign (resid 82 and name HA) (resid 82 and name HG2*)  2.0 0.2 2.2
assign (resid 82 and name HB) (resid 82 and name HG2*)  2.0 0.2 0.9
assign (resid 82 and name HN) (resid 82 and name HA)  2.0 0.2 2.2
assign (resid 82 and name HN) (resid 82 and name HB)  2.0 0.2 2.2
assign (resid 82 and name HN) (resid 82 and name HG2*)  2.0 0.2 2.2
assign (resid 83 and name HA1) (resid 83 and name HA2)  2.0 0.2 0.9
assign (resid 83 and name HN) (resid 83 and name HA1)  2.0 0.2 2.2
assign (resid 83 and name HN) (resid 83 and name HA2)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 84 and name HB*)  2.0 0.2 0.9
assign (resid 84 and name HA) (resid 84 and name HD1)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 84 and name HD2)  2.0 0.2 3.7
assign (resid 84 and name HA) (resid 84 and name HG*)  2.0 0.2 2.2
assign (resid 85 and name HA) (resid 85 and name HB1)  2.0 0.2 2.2
assign (resid 85 and name HA) (resid 85 and name HB2)  2.0 0.2 2.2
assign (resid 85 and name HB1) (resid 85 and name HB2)  2.0 0.2 0.9
assign (resid 85 and name HB1) (resid 85 and name HD*)  2.0 0.2 3.7
assign (resid 85 and name HB2) (resid 85 and name HD*)  2.0 0.2 2.2
assign (resid 85 and name HE*) (resid 85 and name HD*)  2.0 0.2 2.2
assign (resid 85 and name HE*) (resid 85 and name HG*)  2.0 0.2 2.2
assign (resid 85 and name HG*) (resid 85 and name HD*)  2.0 0.2 0.9
assign (resid 85 and name HN) (resid 85 and name HA)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 85 and name HB1)  2.0 0.2 3.7
assign (resid 85 and name HN) (resid 85 and name HB2)  2.0 0.2 3.7
assign (resid 85 and name HN) (resid 85 and name HD*)  2.0 0.2 3.7
assign (resid 85 and name HN) (resid 85 and name HG*)  2.0 0.2 3.7
assign (resid 86 and name HA) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 86 and name HB1) (resid 86 and name HB2)  2.0 0.2 0.9
assign (resid 86 and name HN) (resid 86 and name HA)  2.0 0.2 2.2
assign (resid 86 and name HN) (resid 86 and name HB2)  2.0 0.2 2.2
assign (resid 86 and name HN) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 9 and name HA) (resid 9 and name HG*)  2.0 0.2 2.2
assign (resid 9 and name HB*) (resid 9 and name HG*)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 9 and name HA)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 9 and name HB*)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 9 and name HG*)  2.0 0.2 2.2


!sequential (|i - j| = 1) NOEs

assign (resid 1 and name HA) (resid 2 and name HB1)  2.0 0.2 3.7
assign (resid 1 and name HA) (resid 2 and name HB2)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 11 and name HB*)  2.0 0.2 3.7
assign (resid 10 and name HD2) (resid 9 and name HA)  2.0 0.2 2.2
assign (resid 10 and name HD2) (resid 9 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HB*) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 11 and name HB*) (resid 12 and name HB1)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 10 and name HA)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 10 and name HA)  2.0 0.2 2.2
assign (resid 11 and name HN) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 10 and name HG*)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 11 and name HA)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 11 and name HB*)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 13 and name HA) (resid 14 and name HB1)  2.0 0.2 3.7
assign (resid 13 and name HA) (resid 14 and name HD*)  2.0 0.2 3.7
assign (resid 13 and name HA) (resid 14 and name HG*)  2.0 0.2 3.7
assign (resid 13 and name HN) (resid 12 and name HA)  2.0 0.2 2.2
assign (resid 13 and name HN) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 13 and name HN) (resid 12 and name HB2)  2.0 0.2 3.7
assign (resid 13 and name HN) (resid 12 and name HD21)  2.0 0.2 3.7
assign (resid 13 and name HN) (resid 12 and name HN)  2.0 0.2 3.7
assign (resid 15 and name HA2) (resid 16 and name HB1)  2.0 0.2 3.7
assign (resid 15 and name HN) (resid 14 and name HA)  2.0 0.2 2.2
assign (resid 15 and name HN) (resid 14 and name HB1)  2.0 0.2 2.2
assign (resid 15 and name HN) (resid 14 and name HB2)  2.0 0.2 2.2
assign (resid 15 and name HN) (resid 14 and name HD*)  2.0 0.2 3.7
assign (resid 15 and name HN) (resid 14 and name HG*)  2.0 0.2 3.7
assign (resid 15 and name HN) (resid 16 and name HN)  2.0 0.2 2.2
assign (resid 16 and name HA) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 17 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HB2) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 16 and name HB2) (resid 17 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HN) (resid 15 and name HA1)  2.0 0.2 2.2
assign (resid 16 and name HN) (resid 15 and name HA2)  2.0 0.2 3.7
assign (resid 17 and name HA) (resid 18 and name HD1)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 18 and name HD2)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 16 and name HA)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 16 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 16 and name HB2)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 16 and name HN)  2.0 0.2 2.2
assign (resid 18 and name HB1) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 18 and name HB1) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 18 and name HD1) (resid 17 and name HG*)  2.0 0.2 3.7
assign (resid 18 and name HD2) (resid 17 and name HG*)  2.0 0.2 3.7
assign (resid 18 and name HG*) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 18 and name HB1)  2.0 0.2 2.2
assign (resid 19 and name HN) (resid 18 and name HD1)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 18 and name HD2)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 20 and name HN)  2.0 0.2 3.7
assign (resid 2 and name HA) (resid 3 and name HD1)  2.0 0.2 2.2
assign (resid 2 and name HA) (resid 3 and name HD2)  2.0 0.2 0.9
assign (resid 2 and name HA) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 2 and name HB1) (resid 1 and name HB2)  2.0 0.2 3.7
assign (resid 2 and name HB1) (resid 1 and name HD*)  2.0 0.2 3.7
assign (resid 2 and name HB1) (resid 1 and name HG)  2.0 0.2 2.2
assign (resid 2 and name HB2) (resid 1 and name HB1)  2.0 0.2 3.7
assign (resid 2 and name HN) (resid 1 and name HA)  2.0 0.2 0.9
assign (resid 2 and name HN) (resid 1 and name HB1)  2.0 0.2 3.7
assign (resid 2 and name HN) (resid 1 and name HB2)  2.0 0.2 3.7
assign (resid 2 and name HN) (resid 1 and name HD*)  2.0 0.2 2.2
assign (resid 20 and name HA) (resid 21 and name HB*)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HA)  2.0 0.2 2.2
assign (resid 20 and name HN) (resid 19 and name HB1)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HB2)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HG2)  2.0 0.2 3.7
assign (resid 21 and name HA) (resid 22 and name HB1)  2.0 0.2 3.7
assign (resid 21 and name HA) (resid 22 and name HB2)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 20 and name HA)  2.0 0.2 2.2
assign (resid 21 and name HN) (resid 20 and name HG2*)  2.0 0.2 2.2
assign (resid 21 and name HN) (resid 20 and name HN)  2.0 0.2 2.2
assign (resid 22 and name HA) (resid 23 and name HB*)  2.0 0.2 3.7
assign (resid 22 and name HB2) (resid 21 and name HB*)  2.0 0.2 3.7
assign (resid 22 and name HB2) (resid 23 and name HB*)  2.0 0.2 3.7
assign (resid 22 and name HN) (resid 21 and name HA)  2.0 0.2 2.2
assign (resid 22 and name HN) (resid 21 and name HB*)  2.0 0.2 2.2
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assign (resid 8 and name HN) (resid 7 and name HA)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 7 and name HB2)  2.0 0.2 3.7
assign (resid 80 and name HA) (resid 81 and name HD*)  2.0 0.2 2.2
assign (resid 80 and name HN) (resid 79 and name HA*)  2.0 0.2 3.7
assign (resid 81 and name HA) (resid 82 and name HG2*)  2.0 0.2 3.7
assign (resid 81 and name HD*) (resid 80 and name HB1)  2.0 0.2 2.2
assign (resid 81 and name HD*) (resid 80 and name HB2)  2.0 0.2 3.7
assign (resid 82 and name HN) (resid 81 and name HA)  2.0 0.2 2.2
assign (resid 82 and name HN) (resid 81 and name HG*)  2.0 0.2 3.7
assign (resid 82 and name HN) (resid 83 and name HN)  2.0 0.2 2.2
assign (resid 83 and name HA1) (resid 84 and name HB*)  2.0 0.2 3.7
assign (resid 83 and name HA1) (resid 84 and name HD1)  2.0 0.2 3.7
assign (resid 83 and name HA1) (resid 84 and name HD2)  2.0 0.2 2.2
assign (resid 83 and name HA2) (resid 84 and name HD2)  2.0 0.2 2.2
assign (resid 83 and name HN) (resid 82 and name HA)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 85 and name HG*)  2.0 0.2 3.7
assign (resid 84 and name HD1) (resid 85 and name HB2)  2.0 0.2 3.7
assign (resid 84 and name HD1) (resid 85 and name HG*)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 84 and name HA)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 84 and name HB*)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 84 and name HD1)  2.0 0.2 3.7
assign (resid 85 and name HN) (resid 84 and name HG*)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 86 and name HN)  2.0 0.2 2.2
assign (resid 86 and name HN) (resid 85 and name HA)  2.0 0.2 2.2
assign (resid 86 and name HN) (resid 85 and name HB2)  2.0 0.2 3.7
assign (resid 86 and name HN) (resid 85 and name HE*)  2.0 0.2 3.7
assign (resid 9 and name HA) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 9 and name HA) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 9 and name HB*) (resid 8 and name HB)  2.0 0.2 3.7
assign (resid 9 and name HB*) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 9 and name HB*) (resid 8 and name HG1*)  2.0 0.2 3.7
assign (resid 9 and name HG*) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 8 and name HA)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 8 and name HB)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 8 and name HD*)  2.0 0.2 0.9
assign (resid 9 and name HN) (resid 8 and name HG2*)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 8 and name HN)  2.0 0.2 2.2


!short range interresidue (|i - j| = 2,3,4,5) NOEs

assign (resid 1 and name HA) (resid 3 and name HD2)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 12 and name HB2)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 8 and name HB)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 10 and name HB1) (resid 8 and name HB)  2.0 0.2 3.7
assign (resid 10 and name HB1) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 10 and name HB1) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 10 and name HB2) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 10 and name HD2) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 10 and name HD2) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 11 and name HE1) (resid 9 and name HB*)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 8 and name HG1*)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 9 and name HA)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 9 and name HG*)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 10 and name HA)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 9 and name HB*)  2.0 0.2 3.7
assign (resid 12 and name HN) (resid 10 and name HA)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 12 and name HN) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 13 and name HB1) (resid 18 and name HB1)  2.0 0.2 3.7
assign (resid 14 and name HB1) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 15 and name HA1) (resid 18 and name HD1)  2.0 0.2 3.7
assign (resid 15 and name HA1) (resid 18 and name HG*)  2.0 0.2 3.7
assign (resid 15 and name HA2) (resid 18 and name HD1)  2.0 0.2 2.2
assign (resid 15 and name HN) (resid 17 and name HN)  2.0 0.2 3.7
assign (resid 15 and name HN) (resid 18 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 14 and name HB1)  2.0 0.2 2.2
assign (resid 16 and name HB1) (resid 14 and name HB2)  2.0 0.2 2.2
assign (resid 16 and name HB1) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 16 and name HB2) (resid 14 and name HB1)  2.0 0.2 3.7
assign (resid 16 and name HB2) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 16 and name HN) (resid 14 and name HA)  2.0 0.2 3.7
assign (resid 16 and name HN) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 16 and name HN) (resid 18 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 14 and name HD*)  2.0 0.2 3.7
assign (resid 17 and name HA) (resid 20 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HB1) (resid 14 and name HB2)  2.0 0.2 3.7
assign (resid 17 and name HB1) (resid 21 and name HB*)  2.0 0.2 3.7
assign (resid 17 and name HE21) (resid 14 and name HG*)  2.0 0.2 3.7
assign (resid 17 and name HG*) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 19 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 20 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 20 and name HG2*)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 20 and name HN)  2.0 0.2 3.7
assign (resid 18 and name HD2) (resid 13 and name HB2)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 20 and name HB) (resid 23 and name HB*)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 17 and name HA)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 23 and name HD21)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 23 and name HD22)  2.0 0.2 3.7
assign (resid 21 and name HA) (resid 17 and name HB1)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 16 and name HN)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 18 and name HG*)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 19 and name HA)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 23 and name HB*)  2.0 0.2 3.7
assign (resid 22 and name HB2) (resid 20 and name HG2*)  2.0 0.2 3.7
assign (resid 22 and name HN) (resid 20 and name HA)  2.0 0.2 2.2
assign (resid 22 and name HN) (resid 20 and name HG2*)  2.0 0.2 3.7
assign (resid 23 and name HD21) (resid 20 and name HB)  2.0 0.2 3.7
assign (resid 23 and name HD22) (resid 20 and name HB)  2.0 0.2 3.7
assign (resid 23 and name HN) (resid 20 and name HA)  2.0 0.2 3.7
assign (resid 23 and name HN) (resid 20 and name HN)  2.0 0.2 3.7
assign (resid 23 and name HN) (resid 21 and name HA)  2.0 0.2 3.7
assign (resid 23 and name HN) (resid 21 and name HB*)  2.0 0.2 3.7
assign (resid 24 and name HA) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 24 and name HB2) (resid 27 and name HB*)  2.0 0.2 2.2
assign (resid 24 and name HD*) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 24 and name HE) (resid 28 and name HA)  2.0 0.2 3.7
assign (resid 24 and name HE) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 24 and name HE) (resid 28 and name HB2)  2.0 0.2 2.2
assign (resid 25 and name HA) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 28 and name HB2)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 28 and name HG*)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 29 and name HE*)  2.0 0.2 3.7
assign (resid 25 and name HN) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 25 and name HN) (resid 28 and name HB1)  2.0 0.2 2.2
assign (resid 26 and name HA) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 26 and name HB2) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 26 and name HB2) (resid 29 and name HE*)  2.0 0.2 2.2
assign (resid 26 and name HD2) (resid 24 and name HB2)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 24 and name HD*)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 24 and name HG*)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 26 and name HE1) (resid 24 and name HN)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 24 and name HA)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 24 and name HB1)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 24 and name HG*)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 28 and name HA)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 29 and name HD*)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 29 and name HE*)  2.0 0.2 3.7
assign (resid 27 and name HA) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 27 and name HA) (resid 30 and name HB*)  2.0 0.2 2.2
assign (resid 27 and name HN) (resid 24 and name HB2)  2.0 0.2 3.7
assign (resid 27 and name HN) (resid 24 and name HD*)  2.0 0.2 3.7
assign (resid 28 and name HN) (resid 25 and name HN)  2.0 0.2 3.7
assign (resid 28 and name HN) (resid 26 and name HA)  2.0 0.2 2.2
assign (resid 28 and name HN) (resid 30 and name HB*)  2.0 0.2 3.7
assign (resid 28 and name HZ*) (resid 26 and name HD2)  2.0 0.2 3.7
assign (resid 29 and name HN) (resid 26 and name HA)  2.0 0.2 3.7
assign (resid 29 and name HN) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 3 and name HA) (resid 1 and name HA)  2.0 0.2 3.7
assign (resid 3 and name HD1) (resid 6 and name HB2)  2.0 0.2 3.7
assign (resid 30 and name HB*) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 30 and name HB*) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 27 and name HA)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 28 and name HB2)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 32 and name HE*)  2.0 0.2 3.7
assign (resid 31 and name HN) (resid 29 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 34 and name HA)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 30 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 34 and name HA)  2.0 0.2 2.2
assign (resid 32 and name HE*) (resid 34 and name HB1)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 29 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 34 and name HA)  2.0 0.2 2.2
assign (resid 32 and name HN) (resid 35 and name HE21)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 35 and name HE21)  2.0 0.2 3.7
assign (resid 33 and name HA) (resid 31 and name HA)  2.0 0.2 3.7
assign (resid 33 and name HB1) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 33 and name HN) (resid 35 and name HE21)  2.0 0.2 3.7
assign (resid 34 and name HA) (resid 32 and name HB2)  2.0 0.2 3.7
assign (resid 34 and name HB1) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 34 and name HB2) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 34 and name HN) (resid 31 and name HN)  2.0 0.2 3.7
assign (resid 34 and name HN) (resid 36 and name HN)  2.0 0.2 3.7
assign (resid 35 and name HE21) (resid 33 and name HA)  2.0 0.2 3.7
assign (resid 35 and name HE21) (resid 33 and name HB1)  2.0 0.2 2.2
assign (resid 36 and name HA) (resid 38 and name HB1)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 35 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 40 and name HG2*)  2.0 0.2 2.2
assign (resid 38 and name HE*) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 43 and name HD2*)  2.0 0.2 3.7
assign (resid 38 and name HN) (resid 35 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HN) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 38 and name HN) (resid 36 and name HN)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 43 and name HD2*)  2.0 0.2 3.7
assign (resid 40 and name HB) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 38 and name HN)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 43 and name HN)  2.0 0.2 3.7
assign (resid 41 and name HZ*) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 41 and name HZ*) (resid 43 and name HD1*)  2.0 0.2 3.7
assign (resid 42 and name HA*) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 42 and name HA*) (resid 45 and name HB)  2.0 0.2 3.7
assign (resid 42 and name HA*) (resid 45 and name HG11)  2.0 0.2 2.2
assign (resid 42 and name HA*) (resid 45 and name HG12)  2.0 0.2 2.2
assign (resid 42 and name HA*) (resid 45 and name HG2*)  2.0 0.2 2.2
assign (resid 42 and name HN) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 42 and name HN) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 42 and name HN) (resid 45 and name HN)  2.0 0.2 3.7
assign (resid 43 and name HA) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 43 and name HN) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 43 and name HN) (resid 41 and name HA)  2.0 0.2 3.7
assign (resid 43 and name HN) (resid 41 and name HE*)  2.0 0.2 2.2
assign (resid 43 and name HN) (resid 41 and name HZ*)  2.0 0.2 2.2
assign (resid 43 and name HN) (resid 45 and name HN)  2.0 0.2 2.2
assign (resid 44 and name HA1) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 44 and name HA2) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 44 and name HN) (resid 41 and name HZ*)  2.0 0.2 3.7
assign (resid 44 and name HN) (resid 47 and name HN)  2.0 0.2 3.7
assign (resid 45 and name HN) (resid 42 and name HA*)  2.0 0.2 3.7
assign (resid 45 and name HN) (resid 43 and name HG)  2.0 0.2 3.7
assign (resid 47 and name HA) (resid 45 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HB*) (resid 45 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 45 and name HG11)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 49 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 44 and name HA2)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 45 and name HG11)  2.0 0.2 2.2
assign (resid 47 and name HE*) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 49 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 50 and name HG2)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 44 and name HA1)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 44 and name HA2)  2.0 0.2 2.2
assign (resid 47 and name HN) (resid 45 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 48 and name HA*) (resid 50 and name HB*)  2.0 0.2 3.7
assign (resid 48 and name HA*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 49 and name HE) (resid 47 and name HD*)  2.0 0.2 3.7
assign (resid 49 and name HE) (resid 47 and name HE*)  2.0 0.2 3.7
assign (resid 5 and name HA) (resid 3 and name HD2)  2.0 0.2 3.7
assign (resid 5 and name HN) (resid 3 and name HA)  2.0 0.2 3.7
assign (resid 5 and name HN) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 5 and name HN) (resid 7 and name HA)  2.0 0.2 3.7
assign (resid 50 and name HE*) (resid 53 and name HB*)  2.0 0.2 3.7
assign (resid 50 and name HN) (resid 47 and name HE*)  2.0 0.2 3.7
assign (resid 51 and name HE*) (resid 54 and name HG*)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 49 and name HA)  2.0 0.2 2.2
assign (resid 51 and name HN) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 49 and name HE)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 49 and name HN)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 53 and name HB*)  2.0 0.2 3.7
assign (resid 52 and name HA) (resid 55 and name HG*)  2.0 0.2 3.7
assign (resid 52 and name HD*) (resid 54 and name HG*)  2.0 0.2 3.7
assign (resid 52 and name HE) (resid 54 and name HB2)  2.0 0.2 3.7
assign (resid 52 and name HE) (resid 54 and name HE22)  2.0 0.2 3.7
assign (resid 53 and name HA) (resid 50 and name HE*)  2.0 0.2 3.7
assign (resid 53 and name HA) (resid 50 and name HG2)  2.0 0.2 3.7
assign (resid 53 and name HB*) (resid 50 and name HG1)  2.0 0.2 2.2
assign (resid 53 and name HB*) (resid 50 and name HG2)  2.0 0.2 2.2
assign (resid 53 and name HG*) (resid 51 and name HG*)  2.0 0.2 3.7
assign (resid 53 and name HN) (resid 51 and name HN)  2.0 0.2 3.7
assign (resid 53 and name HN) (resid 55 and name HN)  2.0 0.2 3.7
assign (resid 54 and name HB2) (resid 52 and name HB*)  2.0 0.2 3.7
assign (resid 54 and name HB2) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 54 and name HB2) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 54 and name HB2) (resid 57 and name HB*)  2.0 0.2 2.2
assign (resid 54 and name HB2) (resid 57 and name HG*)  2.0 0.2 3.7
assign (resid 54 and name HE22) (resid 51 and name HE*)  2.0 0.2 3.7
assign (resid 54 and name HN) (resid 51 and name HB*)  2.0 0.2 3.7
assign (resid 54 and name HN) (resid 52 and name HG*)  2.0 0.2 3.7
assign (resid 54 and name HN) (resid 57 and name HB*)  2.0 0.2 3.7
assign (resid 55 and name HA) (resid 52 and name HB*)  2.0 0.2 3.7
assign (resid 55 and name HN) (resid 52 and name HN)  2.0 0.2 3.7
assign (resid 55 and name HN) (resid 53 and name HA)  2.0 0.2 3.7
assign (resid 55 and name HN) (resid 57 and name HB*)  2.0 0.2 3.7
assign (resid 56 and name HA) (resid 54 and name HB2)  2.0 0.2 3.7
assign (resid 56 and name HA) (resid 58 and name HD1)  2.0 0.2 2.2
assign (resid 56 and name HA) (resid 58 and name HD2)  2.0 0.2 2.2
assign (resid 56 and name HD*) (resid 54 and name HB2)  2.0 0.2 2.2
assign (resid 56 and name HN) (resid 54 and name HA)  2.0 0.2 3.7
assign (resid 57 and name HA) (resid 54 and name HB2)  2.0 0.2 2.2
assign (resid 57 and name HA) (resid 54 and name HG*)  2.0 0.2 3.7
assign (resid 57 and name HA) (resid 59 and name HB*)  2.0 0.2 3.7
assign (resid 57 and name HD*) (resid 54 and name HB2)  2.0 0.2 2.2
assign (resid 57 and name HE) (resid 54 and name HE22)  2.0 0.2 3.7
assign (resid 57 and name HN) (resid 54 and name HB2)  2.0 0.2 2.2
assign (resid 57 and name HN) (resid 55 and name HA)  2.0 0.2 3.7
assign (resid 57 and name HN) (resid 55 and name HB*)  2.0 0.2 3.7
assign (resid 58 and name HD1) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 58 and name HD1) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 58 and name HD2) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 58 and name HD2) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 59 and name HA) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 59 and name HB*) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 59 and name HB*) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 56 and name HD*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 57 and name HB*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 57 and name HD*)  2.0 0.2 3.7
assign (resid 6 and name HA) (resid 3 and name HD1)  2.0 0.2 2.2
assign (resid 6 and name HA) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 6 and name HD1) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 6 and name HD1) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 6 and name HD2) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 60 and name HA) (resid 63 and name HB1)  2.0 0.2 3.7
assign (resid 60 and name HA) (resid 63 and name HB2)  2.0 0.2 2.2
assign (resid 60 and name HA) (resid 63 and name HG*)  2.0 0.2 3.7
assign (resid 60 and name HA) (resid 65 and name HB1)  2.0 0.2 3.7
assign (resid 60 and name HG*) (resid 63 and name HB1)  2.0 0.2 2.2
assign (resid 60 and name HG*) (resid 63 and name HB2)  2.0 0.2 2.2
assign (resid 60 and name HN) (resid 63 and name HB1)  2.0 0.2 3.7
assign (resid 60 and name HN) (resid 63 and name HB2)  2.0 0.2 3.7
assign (resid 61 and name HN) (resid 59 and name HA)  2.0 0.2 3.7
assign (resid 61 and name HN) (resid 59 and name HB*)  2.0 0.2 3.7
assign (resid 61 and name HN) (resid 63 and name HA)  2.0 0.2 3.7
assign (resid 63 and name HA) (resid 60 and name HG*)  2.0 0.2 3.7
assign (resid 63 and name HG*) (resid 60 and name HB2)  2.0 0.2 2.2
assign (resid 63 and name HN) (resid 60 and name HB1)  2.0 0.2 3.7
assign (resid 63 and name HN) (resid 60 and name HB2)  2.0 0.2 2.2
assign (resid 63 and name HN) (resid 60 and name HG*)  2.0 0.2 3.7
assign (resid 63 and name HN) (resid 61 and name HA*)  2.0 0.2 2.2
assign (resid 63 and name HN) (resid 65 and name HB1)  2.0 0.2 3.7
assign (resid 64 and name HB) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 64 and name HN) (resid 61 and name HA*)  2.0 0.2 3.7
assign (resid 65 and name HA) (resid 68 and name HD1)  2.0 0.2 3.7
assign (resid 65 and name HA) (resid 68 and name HD2)  2.0 0.2 3.7
assign (resid 65 and name HB2) (resid 68 and name HG*)  2.0 0.2 3.7
assign (resid 65 and name HB2) (resid 69 and name HB)  2.0 0.2 3.7
assign (resid 65 and name HB2) (resid 69 and name HG12)  2.0 0.2 3.7
assign (resid 65 and name HB2) (resid 69 and name HG2*)  2.0 0.2 2.2
assign (resid 65 and name HD2) (resid 68 and name HD1)  2.0 0.2 3.7
assign (resid 65 and name HD2) (resid 68 and name HD2)  2.0 0.2 3.7
assign (resid 65 and name HE1) (resid 63 and name HN)  2.0 0.2 3.7
assign (resid 65 and name HN) (resid 63 and name HB1)  2.0 0.2 3.7
assign (resid 65 and name HN) (resid 63 and name HB2)  2.0 0.2 3.7
assign (resid 65 and name HN) (resid 63 and name HG*)  2.0 0.2 3.7
assign (resid 65 and name HN) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 66 and name HE21) (resid 69 and name HG2*)  2.0 0.2 3.7
assign (resid 66 and name HE22) (resid 64 and name HB)  2.0 0.2 3.7
assign (resid 66 and name HE22) (resid 68 and name HG*)  2.0 0.2 3.7
assign (resid 66 and name HN) (resid 64 and name HG2*)  2.0 0.2 3.7
assign (resid 66 and name HN) (resid 69 and name HN)  2.0 0.2 2.2
assign (resid 67 and name HA) (resid 70 and name HB2)  2.0 0.2 2.2
assign (resid 67 and name HB2) (resid 70 and name HG*)  2.0 0.2 3.7
assign (resid 67 and name HN) (resid 70 and name HB2)  2.0 0.2 3.7
assign (resid 67 and name HN) (resid 70 and name HD1)  2.0 0.2 2.2
assign (resid 68 and name HA) (resid 70 and name HD2)  2.0 0.2 3.7
assign (resid 68 and name HA) (resid 70 and name HG*)  2.0 0.2 3.7
assign (resid 68 and name HD1) (resid 66 and name HB2)  2.0 0.2 3.7
assign (resid 68 and name HD2) (resid 70 and name HG*)  2.0 0.2 3.7
assign (resid 69 and name HA) (resid 71 and name HD*)  2.0 0.2 3.7
assign (resid 69 and name HN) (resid 66 and name HE21)  2.0 0.2 3.7
assign (resid 69 and name HN) (resid 72 and name HE21)  2.0 0.2 3.7
assign (resid 7 and name HA) (resid 4 and name HB)  2.0 0.2 3.7
assign (resid 7 and name HB2) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 7 and name HD21) (resid 10 and name HD2)  2.0 0.2 3.7
assign (resid 7 and name HD21) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 7 and name HN) (resid 10 and name HD2)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 71 and name HE*) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 71 and name HG*) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 71 and name HN) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 71 and name HN) (resid 69 and name HG12)  2.0 0.2 3.7
assign (resid 72 and name HA) (resid 74 and name HB1)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 69 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 69 and name HG2*)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 70 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 74 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 69 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 69 and name HG2*)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 74 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 75 and name HB*)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 69 and name HB)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 72 and name HN) (resid 70 and name HD2)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 74 and name HB1)  2.0 0.2 2.2
assign (resid 72 and name HN) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 74 and name HA) (resid 77 and name HD1)  2.0 0.2 2.2
assign (resid 74 and name HB1) (resid 71 and name HG*)  2.0 0.2 3.7
assign (resid 74 and name HB2) (resid 71 and name HD*)  2.0 0.2 3.7
assign (resid 74 and name HB2) (resid 71 and name HG*)  2.0 0.2 3.7
assign (resid 74 and name HB2) (resid 72 and name HG*)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 72 and name HA)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 72 and name HB2)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 77 and name HB1)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 77 and name HB2)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 77 and name HD2)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 77 and name HG*)  2.0 0.2 2.2
assign (resid 75 and name HA) (resid 77 and name HD2)  2.0 0.2 3.7
assign (resid 75 and name HB*) (resid 77 and name HD2)  2.0 0.2 3.7
assign (resid 75 and name HN) (resid 77 and name HD1)  2.0 0.2 2.2
assign (resid 75 and name HN) (resid 78 and name HB2)  2.0 0.2 3.7
assign (resid 75 and name HN) (resid 78 and name HG*)  2.0 0.2 3.7
assign (resid 76 and name HE21) (resid 73 and name HB2)  2.0 0.2 3.7
assign (resid 76 and name HE21) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 76 and name HE21) (resid 79 and name HA*)  2.0 0.2 3.7
assign (resid 76 and name HE22) (resid 73 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HE22) (resid 74 and name HA)  2.0 0.2 3.7
assign (resid 76 and name HN) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 76 and name HN) (resid 78 and name HG*)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 75 and name HN)  2.0 0.2 3.7
assign (resid 78 and name HN) (resid 76 and name HN)  2.0 0.2 3.7
assign (resid 78 and name HN) (resid 80 and name HN)  2.0 0.2 3.7
assign (resid 79 and name HN) (resid 76 and name HA)  2.0 0.2 3.7
assign (resid 79 and name HN) (resid 76 and name HB1)  2.0 0.2 3.7
assign (resid 79 and name HN) (resid 77 and name HD1)  2.0 0.2 3.7
assign (resid 8 and name HA) (resid 6 and name HG*)  2.0 0.2 3.7
assign (resid 8 and name HN) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 8 and name HN) (resid 10 and name HD2)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 6 and name HA)  2.0 0.2 3.7
assign (resid 80 and name HB1) (resid 82 and name HG2*)  2.0 0.2 3.7
assign (resid 82 and name HA) (resid 80 and name HB1)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 84 and name HD1)  2.0 0.2 2.2
assign (resid 82 and name HB) (resid 84 and name HD2)  2.0 0.2 2.2
assign (resid 82 and name HB) (resid 84 and name HG*)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 85 and name HB1)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 85 and name HB2)  2.0 0.2 2.2
assign (resid 83 and name HA1) (resid 85 and name HD*)  2.0 0.2 3.7
assign (resid 83 and name HN) (resid 85 and name HB1)  2.0 0.2 3.7
assign (resid 83 and name HN) (resid 85 and name HB2)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 86 and name HB2)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 86 and name HG*)  2.0 0.2 2.2
assign (resid 84 and name HD2) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 86 and name HN) (resid 84 and name HA)  2.0 0.2 3.7
assign (resid 9 and name HA) (resid 6 and name HB1)  2.0 0.2 2.2
assign (resid 9 and name HA) (resid 6 and name HD2)  2.0 0.2 2.2
assign (resid 9 and name HA) (resid 6 and name HG*)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 11 and name HN)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 4 and name HB)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 6 and name HD1)  2.0 0.2 3.7


!long range interresidue (|i - j| > 5) NOEs

assign (resid 1 and name HB2) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HE1) (resid 36 and name HB)  2.0 0.2 3.7
assign (resid 11 and name HE1) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HE3) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HH2) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HZ2) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HZ3) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 12 and name HB2) (resid 63 and name HB1)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 63 and name HB2)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 63 and name HE22)  2.0 0.2 2.2
assign (resid 13 and name HB2) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 13 and name HB2) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 13 and name HB2) (resid 19 and name HG2)  2.0 0.2 2.2
assign (resid 13 and name HE1) (resid 28 and name HB*)  2.0 0.2 3.7
assign (resid 13 and name HE1) (resid 28 and name HD*)  2.0 0.2 3.7
assign (resid 13 and name HE1) (resid 28 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HA) (resid 83 and name HA2)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 84 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HB2) (resid 84 and name HD2)  2.0 0.2 2.2
assign (resid 16 and name HB2) (resid 84 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HE21) (resid 83 and name HA1)  2.0 0.2 3.7
assign (resid 19 and name HG2) (resid 64 and name HG2*)  2.0 0.2 2.2
assign (resid 23 and name HN) (resid 17 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HB1) (resid 45 and name HB)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 43 and name HD1*)  2.0 0.2 2.2
assign (resid 32 and name HB2) (resid 43 and name HD2*)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 45 and name HB)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 43 and name HD1*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 43 and name HD2*)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 45 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 45 and name HB)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 45 and name HG11)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 43 and name HD1*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 43 and name HD2*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 44 and name HA2)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 44 and name HA2)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 49 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 50 and name HG2)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 47 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 47 and name HD*)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 49 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 40 and name HA) (resid 1 and name HA)  2.0 0.2 3.7
assign (resid 40 and name HB) (resid 47 and name HB*)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 1 and name HB2)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 47 and name HD*)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 47 and name HE*)  2.0 0.2 3.7
assign (resid 45 and name HA) (resid 32 and name HB1)  2.0 0.2 3.7
assign (resid 47 and name HA) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 47 and name HB*) (resid 40 and name HG2*)  2.0 0.2 2.2
assign (resid 47 and name HD*) (resid 40 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 40 and name HB)  2.0 0.2 2.2
assign (resid 47 and name HD*) (resid 40 and name HG2*)  2.0 0.2 2.2
assign (resid 47 and name HE*) (resid 40 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 40 and name HB)  2.0 0.2 2.2
assign (resid 47 and name HE*) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 40 and name HG2*)  2.0 0.2 2.2
assign (resid 49 and name HE) (resid 35 and name HE22)  2.0 0.2 2.2
assign (resid 5 and name HB1) (resid 55 and name HG*)  2.0 0.2 3.7
assign (resid 50 and name HG2) (resid 39 and name HG2*)  2.0 0.2 3.7
assign (resid 55 and name HD*) (resid 5 and name HB1)  2.0 0.2 3.7
assign (resid 56 and name HD*) (resid 9 and name HG*)  2.0 0.2 3.7
assign (resid 56 and name HE) (resid 9 and name HG*)  2.0 0.2 3.7
assign (resid 57 and name HD*) (resid 68 and name HB*)  2.0 0.2 3.7
assign (resid 57 and name HD*) (resid 68 and name HG*)  2.0 0.2 3.7
assign (resid 60 and name HA) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 60 and name HB1) (resid 69 and name HG11)  2.0 0.2 3.7
assign (resid 60 and name HB2) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 60 and name HE21) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 60 and name HG*) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 63 and name HG*) (resid 12 and name HB1)  2.0 0.2 3.7
assign (resid 63 and name HG*) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 63 and name HG*) (resid 69 and name HG11)  2.0 0.2 3.7
assign (resid 64 and name HN) (resid 13 and name HB1)  2.0 0.2 3.7
assign (resid 65 and name HD2) (resid 12 and name HD22)  2.0 0.2 3.7
assign (resid 66 and name HE22) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 68 and name HA) (resid 57 and name HG*)  2.0 0.2 3.7
assign (resid 68 and name HG*) (resid 57 and name HG*)  2.0 0.2 3.7
assign (resid 7 and name HD22) (resid 40 and name HA)  2.0 0.2 3.7
assign (resid 7 and name HD22) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 76 and name HA) (resid 82 and name HA)  2.0 0.2 3.7
assign (resid 76 and name HA) (resid 86 and name HA)  2.0 0.2 3.7
assign (resid 76 and name HN) (resid 85 and name HB2)  2.0 0.2 3.7
assign (resid 78 and name HA) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 78 and name HN) (resid 86 and name HA)  2.0 0.2 3.7
assign (resid 78 and name HN) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 14 and name HD*)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 14 and name HG*)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 16 and name HB1)  2.0 0.2 3.7
assign (resid 9 and name HG*) (resid 56 and name HG*)  2.0 0.2 3.7
        

!dihedral angle restraints for the phi angles
                                            
assign (resid   1 and name C ) (resid   2 and name N )
       (resid   2 and name CA) (resid   2 and name C ) 1   60 40   2 !  5.9 ASP    2
assign (resid   3 and name C ) (resid   4 and name N )
       (resid   4 and name CA) (resid   4 and name C ) 1  -72 20   2 !  5.8 VAL    4
assign (resid   6 and name C ) (resid   7 and name N )
       (resid   7 and name CA) (resid   7 and name C ) 1  -76 20   2 !  6.2 ASN    7
assign (resid   7 and name C ) (resid   8 and name N )
       (resid   8 and name CA) (resid   8 and name C ) 1 -120 40   2 !  10.4 ILE   8
assign (resid  10 and name C ) (resid  11 and name N )
       (resid  11 and name CA) (resid  11 and name C ) 1 -120 40   2 !  11.7 TRP  11
assign (resid  11 and name C ) (resid  12 and name N )
       (resid  12 and name CA) (resid  12 and name C ) 1 -120 40   2 !  9.4 ASN   12
assign (resid  12 and name C ) (resid  13 and name N )
       (resid  13 and name CA) (resid  13 and name C ) 1 -120 40   2 !  9.6 HIS   13
assign (resid  15 and name C ) (resid  16 and name N )
       (resid  16 and name CA) (resid  16 and name C ) 1 -150 30   2 !  7.4 SER   16
assign (resid  16 and name C ) (resid  17 and name N )
       (resid  17 and name CA) (resid  17 and name C ) 1 -120 40   2 !  10.4 GLN   17
assign (resid  22 and name C ) (resid  23 and name N )
       (resid  23 and name CA) (resid  23 and name C ) 1  -76 20   2 !  6.2 ASN   23
assign (resid  25 and name C ) (resid  26 and name N )
       (resid  26 and name CA) (resid  26 and name C ) 1 -160 30   2 !  6.2 HIS   26
assign (resid  31 and name C ) (resid  32 and name N )
       (resid  32 and name CA) (resid  32 and name C ) 1 -150 30   2 !  7.5 TYR   32
assign (resid  37 and name C ) (resid  38 and name N )
       (resid  38 and name CA) (resid  38 and name C ) 1 -120 40   2 !  8.6 PHE   38
assign (resid  38 and name C ) (resid  39 and name N )
       (resid  39 and name CA) (resid  39 and name C ) 1  -67 20   2 !  5.0 ILE   39
assign (resid  40 and name C ) (resid  41 and name N )
       (resid  41 and name CA) (resid  41 and name C ) 1  -71 20   2 !  5.6 LYS   41
assign (resid  46 and name C ) (resid  47 and name N )
       (resid  47 and name CA) (resid  47 and name C ) 1  -78 20   2 !  6.5 TYR   47
assign (resid  62 and name C ) (resid  63 and name N )
       (resid  63 and name CA) (resid  63 and name C ) 1  -75 20   2 !  6.1 GLN   63
assign (resid  63 and name C ) (resid  64 and name N )
       (resid  64 and name CA) (resid  64 and name C ) 1   40 30   2 !  5.4 THR   64
assign (resid  64 and name C ) (resid  65 and name N )
       (resid  65 and name CA) (resid  65 and name C ) 1  -76 20   2 !  6.3 HIS   65
assign (resid  66 and name C ) (resid  67 and name N )
       (resid  67 and name CA) (resid  67 and name C ) 1  -80 40   2 !  6.7 ASP   67
assign (resid  79 and name C ) (resid  80 and name N )
       (resid  80 and name CA) (resid  80 and name C ) 1  -77 20   2 !  6.4 ASP   80
assign (resid  84 and name C ) (resid  85 and name N )
       (resid  85 and name CA) (resid  85 and name C ) 1 -120 40   2 !  8.1 LYS   85
assign (resid  85 and name C ) (resid  86 and name N )
       (resid  86 and name CA) (resid  86 and name C ) 1  -76 20   2 !  6.3 GLU   86


! coupling constant restraints

 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )  5.9  1.0
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )  5.8  1.0
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )  6.2  1.0
 assign (resid  7  and name c ) (resid  8  and name n ) 
        (resid  8  and name ca) (resid  8  and name c )  10.4  1.0
 assign (resid 10  and name c ) (resid 11  and name n ) 
        (resid 11  and name ca) (resid 11  and name c )  11.7  1.0
 assign (resid 11  and name c ) (resid 12  and name n ) 
        (resid 12  and name ca) (resid 12  and name c )  9.4  1.0
 assign (resid 12  and name c ) (resid 13  and name n ) 
        (resid 13  and name ca) (resid 13  and name c )  9.6  1.0
 assign (resid 15  and name c ) (resid 16  and name n ) 
        (resid 16  and name ca) (resid 16  and name c )  7.4  1.0
 assign (resid 16  and name c ) (resid 17  and name n ) 
        (resid 17  and name ca) (resid 17  and name c )  10.4  1.0
 assign (resid 22  and name c ) (resid 23  and name n ) 
        (resid 23  and name ca) (resid 23  and name c )  6.2  1.0
 assign (resid 25  and name c ) (resid 26  and name n ) 
        (resid 26  and name ca) (resid 26  and name c )  6.2  1.0
 assign (resid 31  and name c ) (resid 32  and name n ) 
        (resid 32  and name ca) (resid 32  and name c )  7.5  1.0
 assign (resid 37  and name c ) (resid 38  and name n ) 
        (resid 38  and name ca) (resid 38  and name c )  8.6  1.0
 assign (resid 38  and name c ) (resid 39  and name n ) 
        (resid 39  and name ca) (resid 39  and name c )  5.0  1.0
 assign (resid 40  and name c ) (resid 41  and name n ) 
        (resid 41  and name ca) (resid 41  and name c )  5.6  1.0
 assign (resid 46  and name c ) (resid 47  and name n ) 
        (resid 47  and name ca) (resid 47  and name c )  6.5  1.0
 assign (resid 62  and name c ) (resid 63  and name n ) 
        (resid 63  and name ca) (resid 63  and name c )  6.1  1.0
 assign (resid 63  and name c ) (resid 64  and name n ) 
        (resid 64  and name ca) (resid 64  and name c )  5.4  1.0
 assign (resid 64  and name c ) (resid 65  and name n ) 
        (resid 65  and name ca) (resid 65  and name c )  6.3  1.0
 assign (resid 66  and name c ) (resid 67  and name n ) 
        (resid 67  and name ca) (resid 67  and name c )  6.7  1.0
 assign (resid 79  and name c ) (resid 80  and name n ) 
        (resid 80  and name ca) (resid 80  and name c )  6.4  1.0
 assign (resid 84  and name c ) (resid 85  and name n ) 
        (resid 85  and name ca) (resid 85  and name c )  8.1  1.0
 assign (resid 85  and name c ) (resid 86  and name n ) 
        (resid 86  and name ca) (resid 86  and name c )  6.3  1.0

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    LEU   1           HT2      LEU   1  14.354 -11.173 -11.173
    2   2H    LEU   1           HT1      LEU   1  12.937 -12.103 -12.103
    3   3H    LEU   1           HT3      LEU   1  13.736 -11.594 -11.594
    4    HA   LEU   1           HA       LEU   1  11.841 -10.188 -10.188
    5   1HB   LEU   1           HB2      LEU   1  11.421  -9.100  -9.100
    6   2HB   LEU   1           HB1      LEU   1  11.627 -10.836 -10.836
    7    HG   LEU   1           HG       LEU   1  14.210  -9.622  -9.622
    8   1HD1  LEU   1          HD11      LEU   1  12.890  -7.511  -7.511
    9   2HD1  LEU   1          HD13      LEU   1  12.246  -8.240  -8.240
   10   3HD1  LEU   1          HD12      LEU   1  13.977  -7.940  -7.940
   11   1HD2  LEU   1          HD23      LEU   1  12.836 -11.572 -11.572
   12   2HD2  LEU   1          HD22      LEU   1  14.394 -10.921 -10.921
   13   3HD2  LEU   1          HD21      LEU   1  12.906 -10.304 -10.304
   14    H    ASP   2           HN       ASP   2  11.909  -7.719  -7.719
   15    HA   ASP   2           HA       ASP   2  12.921  -5.748  -5.748
   16   1HB   ASP   2           HB2      ASP   2  13.766  -6.243  -6.243
   17   2HB   ASP   2           HB1      ASP   2  15.288  -6.609  -6.609
   18    HA   PRO   3           HA       PRO   3  15.832  -7.963  -7.963
   19   1HB   PRO   3           HB2      PRO   3  14.161  -8.401  -8.401
   20   2HB   PRO   3           HB1      PRO   3  14.338  -9.537  -9.537
   21   1HG   PRO   3           HG2      PRO   3  12.106  -7.703  -7.703
   22   2HG   PRO   3           HG1      PRO   3  12.113  -9.218  -9.218
   23   1HD   PRO   3           HD2      PRO   3  12.195  -6.525  -6.525
   24   2HD   PRO   3           HD1      PRO   3  12.150  -8.012  -8.012
   25    H    VAL   4           HN       VAL   4  13.447  -6.467  -6.467
   26    HA   VAL   4           HA       VAL   4  15.320  -4.443  -4.443
   27    HB   VAL   4           HB       VAL   4  12.390  -5.159  -5.159
   28   1HG1  VAL   4          HG13      VAL   4  13.744  -2.685  -2.685
   29   2HG1  VAL   4          HG12      VAL   4  12.403  -3.454  -3.454
   30   3HG1  VAL   4          HG11      VAL   4  12.171  -2.828  -2.828
   31   1HG2  VAL   4          HG22      VAL   4  14.892  -5.341  -5.341
   32   2HG2  VAL   4          HG21      VAL   4  13.668  -6.567  -6.567
   33   3HG2  VAL   4          HG23      VAL   4  13.329  -5.267  -5.267
   34    H    ASP   5           HN       ASP   5  12.273  -4.422  -4.422
   35    HA   ASP   5           HA       ASP   5  13.155  -2.401  -2.401
   36   1HB   ASP   5           HB2      ASP   5  11.412  -1.798  -1.798
   37   2HB   ASP   5           HB1      ASP   5  10.883  -1.116  -1.116
   38    HA   PRO   6           HA       PRO   6   9.253  -4.528  -4.528
   39   1HB   PRO   6           HB2      PRO   6   7.077  -4.745  -4.745
   40   2HB   PRO   6           HB1      PRO   6   7.489  -3.231  -3.231
   41   1HG   PRO   6           HG2      PRO   6   7.630  -3.823  -3.823
   42   2HG   PRO   6           HG1      PRO   6   7.721  -2.257  -2.257
   43   1HD   PRO   6           HD2      PRO   6   9.814  -3.947  -3.947
   44   2HD   PRO   6           HD1      PRO   6   9.791  -2.225  -2.225
   45    H    ASN   7           HN       ASN   7   7.649  -6.671  -6.671
   46    HA   ASN   7           HA       ASN   7   9.592  -8.623  -8.623
   47   1HB   ASN   7           HB2      ASN   7   6.642  -8.705  -8.705
   48   2HB   ASN   7           HB1      ASN   7   7.574 -10.145 -10.145
   49   1HD2  ASN   7          HD22      ASN   7   7.855  -8.861  -8.861
   50   2HD2  ASN   7          HD21      ASN   7   6.668  -8.292  -8.292
   51    H    ILE   8           HN       ILE   8   6.480  -7.441  -7.441
   52    HA   ILE   8           HA       ILE   8   7.536  -8.142  -8.142
   53    HB   ILE   8           HB       ILE   8   5.488  -9.216  -9.216
   54   1HG1  ILE   8          HG12      ILE   8   3.967  -7.532  -7.532
   55   2HG1  ILE   8          HG11      ILE   8   3.479  -9.203  -9.203
   56   1HG2  ILE   8          HG23      ILE   8   6.340  -9.986  -9.986
   57   2HG2  ILE   8          HG22      ILE   8   5.199 -10.932 -10.932
   58   3HG2  ILE   8          HG21      ILE   8   6.852 -10.708 -10.708
   59   1HD1  ILE   8          HD13      ILE   8   4.939  -9.039  -9.039
   60   2HD1  ILE   8          HD12      ILE   8   4.607  -7.318  -7.318
   61   3HD1  ILE   8          HD11      ILE   8   3.274  -8.462  -8.462
   62    H    GLU   9           HN       GLU   9   6.862  -5.581  -5.581
   63    HA   GLU   9           HA       GLU   9   6.009  -3.415  -3.415
   64   1HB   GLU   9           HB2      GLU   9   6.801  -4.488  -4.488
   65   2HB   GLU   9           HB1      GLU   9   6.169  -2.854  -2.854
   66   1HG   GLU   9           HG2      GLU   9   7.953  -2.188  -2.188
   67   2HG   GLU   9           HG1      GLU   9   8.456  -3.874  -3.874
   68    HA   PRO  10           HA       PRO  10   1.853  -4.895  -4.895
   69   1HB   PRO  10           HB2      PRO  10   0.695  -5.415  -5.415
   70   2HB   PRO  10           HB1      PRO  10   1.710  -6.482  -6.482
   71   1HG   PRO  10           HG2      PRO  10   2.286  -4.871  -4.871
   72   2HG   PRO  10           HG1      PRO  10   2.938  -6.520  -6.520
   73   1HD   PRO  10           HD2      PRO  10   4.070  -3.921  -3.921
   74   2HD   PRO  10           HD1      PRO  10   4.776  -5.455  -5.455
   75    H    TRP  11           HN       TRP  11   2.874  -2.158  -2.158
   76    HA   TRP  11           HA       TRP  11   0.537  -0.925  -0.925
   77   1HB   TRP  11           HB2      TRP  11   3.232   0.185   0.185
   78   2HB   TRP  11           HB1      TRP  11   2.101   0.997   0.997
   79    HD1  TRP  11           HD1      TRP  11   4.372  -2.020  -2.020
   80    HE1  TRP  11           HE1      TRP  11   4.745  -2.537  -2.537
   81    HE3  TRP  11           HE3      TRP  11   1.162   1.356   1.356
   82    HZ2  TRP  11           HZ2      TRP  11   3.803  -1.623  -1.623
   83    HZ3  TRP  11           HZ3      TRP  11   0.931   1.508   1.508
   84    HH2  TRP  11           HH2      TRP  11   2.240   0.030   0.030
   85    H    ASN  12           HN       ASN  12  -0.003  -1.958  -1.958
   86    HA   ASN  12           HA       ASN  12  -0.546   0.495   0.495
   87   1HB   ASN  12           HB2      ASN  12   0.293  -0.993  -0.993
   88   2HB   ASN  12           HB1      ASN  12   1.448  -0.086  -0.086
   89   1HD2  ASN  12          HD22      ASN  12   2.758  -2.971  -2.971
   90   2HD2  ASN  12          HD21      ASN  12   2.487  -1.317  -1.317
   91    H    HIS  13           HN       HIS  13  -2.715  -0.104  -0.104
   92    HA   HIS  13           HA       HIS  13  -3.898  -2.509  -2.509
   93   1HB   HIS  13           HB2      HIS  13  -4.520  -0.899  -0.899
   94   2HB   HIS  13           HB1      HIS  13  -5.622  -2.172  -2.172
   95    HD1  HIS  13           HD1      HIS  13  -4.445  -2.622  -2.622
   96    HD2  HIS  13           HD2      HIS  13  -2.433  -3.829  -3.829
   97    HE1  HIS  13           HE1      HIS  13  -2.825  -4.431  -4.431
   98    HA   PRO  14           HA       PRO  14  -6.679   0.214   0.214
   99   1HB   PRO  14           HB2      PRO  14  -8.838  -1.592  -1.592
  100   2HB   PRO  14           HB1      PRO  14  -7.322  -1.638  -1.638
  101   1HG   PRO  14           HG2      PRO  14  -8.387  -3.134  -3.134
  102   2HG   PRO  14           HG1      PRO  14  -7.372  -3.718  -3.718
  103   1HD   PRO  14           HD2      PRO  14  -6.478  -3.049  -3.049
  104   2HD   PRO  14           HD1      PRO  14  -5.425  -3.298  -3.298
  105    H    GLY  15           HN       GLY  15  -7.423  -1.203  -1.203
  106   1HA   GLY  15           HA2      GLY  15  -8.691  -0.482  -0.482
  107   2HA   GLY  15           HA1      GLY  15  -9.105   1.016   1.016
  108    H    SER  16           HN       SER  16  -9.527  -2.187  -2.187
  109    HA   SER  16           HA       SER  16 -12.443  -2.264  -2.264
  110   1HB   SER  16           HB2      SER  16 -11.033  -1.978  -1.978
  111   2HB   SER  16           HB1      SER  16 -12.729  -2.427  -2.427
  112    HG   SER  16           HG       SER  16 -11.770  -0.044  -0.044
  113    H    GLN  17           HN       GLN  17  -9.575  -3.966  -3.966
  114    HA   GLN  17           HA       GLN  17 -11.021  -6.507  -6.507
  115   1HB   GLN  17           HB2      GLN  17  -8.456  -5.497  -5.497
  116   2HB   GLN  17           HB1      GLN  17  -9.007  -7.201  -7.201
  117   1HG   GLN  17           HG2      GLN  17 -10.476  -6.924  -6.924
  118   2HG   GLN  17           HG1      GLN  17 -11.160  -5.481  -5.481
  119   1HE2  GLN  17          HE22      GLN  17  -9.684  -3.420  -3.420
  120   2HE2  GLN  17          HE21      GLN  17 -10.989  -3.710  -3.710
  121    HA   PRO  18           HA       PRO  18  -7.161  -7.694  -7.694
  122   1HB   PRO  18           HB2      PRO  18  -5.376  -5.720  -5.720
  123   2HB   PRO  18           HB1      PRO  18  -5.236  -6.698  -6.698
  124   1HG   PRO  18           HG2      PRO  18  -6.392  -3.965  -3.965
  125   2HG   PRO  18           HG1      PRO  18  -5.287  -4.546  -4.546
  126   1HD   PRO  18           HD2      PRO  18  -7.850  -4.192  -4.192
  127   2HD   PRO  18           HD1      PRO  18  -6.989  -5.543  -5.543
  128    H    LYS  19           HN       LYS  19  -8.989  -4.806  -4.806
  129    HA   LYS  19           HA       LYS  19  -9.098  -5.360  -5.360
  130   1HB   LYS  19           HB2      LYS  19  -8.999  -2.945  -2.945
  131   2HB   LYS  19           HB1      LYS  19  -7.594  -3.436  -3.436
  132   1HG   LYS  19           HG2      LYS  19  -8.277  -2.374  -2.374
  133   2HG   LYS  19           HG1      LYS  19  -9.998  -2.588  -2.588
  134   1HD   LYS  19           HD2      LYS  19  -8.778  -0.909  -0.909
  135   2HD   LYS  19           HD1      LYS  19  -8.432  -0.284  -0.284
  136   1HE   LYS  19           HE2      LYS  19 -10.870  -0.386  -0.386
  137   2HE   LYS  19           HE1      LYS  19 -11.192  -0.952  -0.952
  138   1HZ   LYS  19           HZ3      LYS  19  -9.731   1.550   1.550
  139   2HZ   LYS  19           HZ2      LYS  19 -11.352   1.490   1.490
  140   3HZ   LYS  19           HZ1      LYS  19 -10.111   1.031   1.031
  141    H    THR  20           HN       THR  20 -10.866  -5.791  -5.791
  142    HA   THR  20           HA       THR  20 -13.398  -4.948  -4.948
  143    HB   THR  20           HB       THR  20 -12.325  -3.949  -3.949
  144    HG1  THR  20           HG1      THR  20 -12.187  -2.208  -2.208
  145   1HG2  THR  20          HG22      THR  20 -14.630  -4.874  -4.874
  146   2HG2  THR  20          HG21      THR  20 -15.203  -3.788  -3.788
  147   3HG2  THR  20          HG23      THR  20 -14.543  -3.127  -3.127
  148    H    ALA  21           HN       ALA  21 -11.856  -6.568  -6.568
  149    HA   ALA  21           HA       ALA  21 -14.227  -8.016  -8.016
  150   1HB   ALA  21           HB3      ALA  21 -11.272  -8.381  -8.381
  151   2HB   ALA  21           HB2      ALA  21 -12.542  -9.272  -9.272
  152   3HB   ALA  21           HB1      ALA  21 -12.437  -7.520  -7.520
  153    H    CYS  22           HN       CYS  22 -14.418  -8.636  -8.636
  154    HA   CYS  22           HA       CYS  22 -14.360 -10.355 -10.355
  155   1HB   CYS  22           HB2      CYS  22 -15.212 -11.032 -11.032
  156   2HB   CYS  22           HB1      CYS  22 -14.143 -12.428 -12.428
  157    HG   CYS  22           HG       CYS  22 -16.383 -13.099 -13.099
  158    H    ASN  23           HN       ASN  23 -11.759  -9.293  -9.293
  159    HA   ASN  23           HA       ASN  23  -9.830 -11.426 -11.426
  160   1HB   ASN  23           HB2      ASN  23  -8.253  -9.612  -9.612
  161   2HB   ASN  23           HB1      ASN  23  -9.664  -8.969  -8.969
  162   1HD2  ASN  23          HD22      ASN  23 -10.638  -6.830  -6.830
  163   2HD2  ASN  23          HD21      ASN  23 -11.141  -7.539  -7.539
  164    H    ARG  24           HN       ARG  24  -8.006 -10.587 -10.587
  165    HA   ARG  24           HA       ARG  24  -8.238 -12.424 -12.424
  166   1HB   ARG  24           HB2      ARG  24  -7.224  -9.583  -9.583
  167   2HB   ARG  24           HB1      ARG  24  -6.718 -10.768 -10.768
  168   1HG   ARG  24           HG2      ARG  24  -5.189 -11.618 -11.618
  169   2HG   ARG  24           HG1      ARG  24  -6.336 -11.865 -11.865
  170   1HD   ARG  24           HD2      ARG  24  -4.505 -10.299 -10.299
  171   2HD   ARG  24           HD1      ARG  24  -6.088  -9.490  -9.490
  172    HE   ARG  24           HE       ARG  24  -5.564  -8.511  -8.511
  173   1HH1  ARG  24          HH11      ARG  24  -3.097 -10.735 -10.735
  174   2HH1  ARG  24          HH12      ARG  24  -1.803  -9.677  -9.677
  175   1HH2  ARG  24          HH21      ARG  24  -3.830  -6.880  -6.880
  176   2HH2  ARG  24          HH22      ARG  24  -2.226  -7.509  -7.509
  177    H    CYS  25           HN       CYS  25  -8.937  -8.995  -8.995
  178    HA   CYS  25           HA       CYS  25 -10.612  -8.032  -8.032
  179   1HB   CYS  25           HB2      CYS  25 -11.854  -9.737  -9.737
  180   2HB   CYS  25           HB1      CYS  25 -12.071 -10.601 -10.601
  181    HG   CYS  25           HG       CYS  25 -13.841  -8.926  -8.926
  182    H    HIS  26           HN       HIS  26  -8.427  -9.296  -9.296
  183    HA   HIS  26           HA       HIS  26  -9.537  -9.727  -9.727
  184   1HB   HIS  26           HB2      HIS  26  -8.436 -12.095 -12.095
  185   2HB   HIS  26           HB1      HIS  26 -10.034 -11.875 -11.875
  186    HD1  HIS  26           HD1      HIS  26  -9.178 -14.291 -14.291
  187    HD2  HIS  26           HD2      HIS  26  -7.433 -10.782 -10.782
  188    HE1  HIS  26           HE1      HIS  26  -8.126 -14.827 -14.827
  189    H    CYS  27           HN       CYS  27  -6.727  -9.729  -9.729
  190    HA   CYS  27           HA       CYS  27  -4.979  -9.081  -9.081
  191   1HB   CYS  27           HB2      CYS  27  -3.364 -10.473 -10.473
  192   2HB   CYS  27           HB1      CYS  27  -4.841 -11.166 -11.166
  193    HG   CYS  27           HG       CYS  27  -4.446 -10.260 -10.260
  194    H    LYS  28           HN       LYS  28  -6.561  -7.781  -7.781
  195    HA   LYS  28           HA       LYS  28  -4.456  -5.930  -5.930
  196   1HB   LYS  28           HB2      LYS  28  -5.975  -6.783  -6.783
  197   2HB   LYS  28           HB1      LYS  28  -7.336  -6.449  -6.449
  198   1HG   LYS  28           HG2      LYS  28  -6.655  -3.923  -3.923
  199   2HG   LYS  28           HG1      LYS  28  -5.697  -4.503  -4.503
  200   1HD   LYS  28           HD2      LYS  28  -7.753  -3.899  -3.899
  201   2HD   LYS  28           HD1      LYS  28  -7.866  -5.640  -5.640
  202   1HE   LYS  28           HE2      LYS  28  -8.979  -5.142  -5.142
  203   2HE   LYS  28           HE1      LYS  28  -9.209  -3.497  -3.497
  204   1HZ   LYS  28           HZ2      LYS  28  -9.841  -5.348  -5.348
  205   2HZ   LYS  28           HZ1      LYS  28 -10.664  -5.814  -5.814
  206   3HZ   LYS  28           HZ3      LYS  28 -10.877  -4.254  -4.254
  207    H    LYS  29           HN       LYS  29  -7.355  -5.888  -5.888
  208    HA   LYS  29           HA       LYS  29  -6.755  -3.060  -3.060
  209   1HB   LYS  29           HB2      LYS  29  -9.048  -2.669  -2.669
  210   2HB   LYS  29           HB1      LYS  29  -8.943  -3.782  -3.782
  211   1HG   LYS  29           HG2      LYS  29  -9.610  -4.570  -4.570
  212   2HG   LYS  29           HG1      LYS  29 -10.778  -4.281  -4.281
  213   1HD   LYS  29           HD2      LYS  29  -9.461  -6.059  -6.059
  214   2HD   LYS  29           HD1      LYS  29  -8.749  -6.473  -6.473
  215   1HE   LYS  29           HE2      LYS  29 -11.752  -6.233  -6.233
  216   2HE   LYS  29           HE1      LYS  29 -11.002  -7.679  -7.679
  217   1HZ   LYS  29           HZ1      LYS  29  -9.712  -7.960  -7.960
  218   2HZ   LYS  29           HZ3      LYS  29 -10.551  -6.668  -6.668
  219   3HZ   LYS  29           HZ2      LYS  29 -11.384  -8.082  -8.082
  220    H    CYS  30           HN       CYS  30  -5.762  -5.688  -5.688
  221    HA   CYS  30           HA       CYS  30  -7.128  -6.031  -6.031
  222   1HB   CYS  30           HB2      CYS  30  -5.662  -7.635  -7.635
  223   2HB   CYS  30           HB1      CYS  30  -4.271  -6.808  -6.808
  224    HG   CYS  30           HG       CYS  30  -4.697  -8.569  -8.569
  225    H    CYS  31           HN       CYS  31  -6.920  -3.406  -3.406
  226    HA   CYS  31           HA       CYS  31  -5.729  -1.468  -1.468
  227   1HB   CYS  31           HB2      CYS  31  -5.851  -1.727  -1.727
  228   2HB   CYS  31           HB1      CYS  31  -7.294  -2.284  -2.284
  229    HG   CYS  31           HG       CYS  31  -5.923  -4.005  -4.005
  230    H    TYR  32           HN       TYR  32  -3.600  -1.986  -1.986
  231    HA   TYR  32           HA       TYR  32  -1.432  -2.074  -2.074
  232   1HB   TYR  32           HB2      TYR  32  -0.373  -4.035  -4.035
  233   2HB   TYR  32           HB1      TYR  32  -2.032  -4.479  -4.479
  234    HD1  TYR  32           HD1      TYR  32  -3.717  -3.807  -3.807
  235    HD2  TYR  32           HD2      TYR  32   0.462  -4.809  -4.809
  236    HE1  TYR  32           HE1      TYR  32  -3.943  -4.465  -4.465
  237    HE2  TYR  32           HE2      TYR  32   0.229  -5.470  -5.470
  238    HH   TYR  32           HH       TYR  32  -2.049  -6.327  -6.327
  239    H    HIS  33           HN       HIS  33  -2.348   0.009   0.009
  240    HA   HIS  33           HA       HIS  33  -1.516   1.688   1.688
  241   1HB   HIS  33           HB2      HIS  33   1.022  -0.025  -0.025
  242   2HB   HIS  33           HB1      HIS  33   0.880   1.617   1.617
  243    HD1  HIS  33           HD1      HIS  33   0.583   3.545   3.545
  244    HD2  HIS  33           HD2      HIS  33   0.738  -0.199  -0.199
  245    HE1  HIS  33           HE1      HIS  33   0.832   3.970   3.970
  246    H    CYS  34           HN       CYS  34  -2.241  -1.339  -1.339
  247    HA   CYS  34           HA       CYS  34  -2.557  -2.373  -2.373
  248   1HB   CYS  34           HB2      CYS  34  -2.795   0.569   0.569
  249   2HB   CYS  34           HB1      CYS  34  -2.852  -0.488  -0.488
  250    HG   CYS  34           HG       CYS  34  -5.311  -0.293  -0.293
  251    H    GLN  35           HN       GLN  35  -0.150  -3.064  -3.064
  252    HA   GLN  35           HA       GLN  35   1.789  -1.737  -1.737
  253   1HB   GLN  35           HB2      GLN  35   1.889  -4.259  -4.259
  254   2HB   GLN  35           HB1      GLN  35   3.263  -3.502  -3.502
  255   1HG   GLN  35           HG2      GLN  35   1.639  -2.404  -2.404
  256   2HG   GLN  35           HG1      GLN  35   3.395  -2.746  -2.746
  257   1HE2  GLN  35          HE22      GLN  35   2.096   0.868   0.868
  258   2HE2  GLN  35          HE21      GLN  35   1.077  -0.290  -0.290
  259    H    VAL  36           HN       VAL  36  -0.004  -4.817  -4.817
  260    HA   VAL  36           HA       VAL  36  -0.466  -6.436  -6.436
  261    HB   VAL  36           HB       VAL  36   0.016  -4.049  -4.049
  262   1HG1  VAL  36          HG11      VAL  36  -1.033  -6.703  -6.703
  263   2HG1  VAL  36          HG13      VAL  36  -2.051  -5.377  -5.377
  264   3HG1  VAL  36          HG12      VAL  36  -0.367  -5.480  -5.480
  265   1HG2  VAL  36          HG21      VAL  36  -2.497  -4.857  -4.857
  266   2HG2  VAL  36          HG23      VAL  36  -1.571  -3.371  -3.371
  267   3HG2  VAL  36          HG22      VAL  36  -2.423  -3.666  -3.666
  268    H    CYS  37           HN       CYS  37   1.902  -7.081  -7.081
  269    HA   CYS  37           HA       CYS  37   3.999  -8.004  -8.004
  270   1HB   CYS  37           HB2      CYS  37   2.152  -8.911  -8.911
  271   2HB   CYS  37           HB1      CYS  37   3.126  -8.031  -8.031
  272    HG   CYS  37           HG       CYS  37   4.841  -9.807  -9.807
  273    H    PHE  38           HN       PHE  38   5.393  -6.216  -6.216
  274    HA   PHE  38           HA       PHE  38   6.240  -4.817  -4.817
  275   1HB   PHE  38           HB2      PHE  38   6.054  -2.642  -2.642
  276   2HB   PHE  38           HB1      PHE  38   4.573  -3.594  -3.594
  277    HD1  PHE  38           HD1      PHE  38   4.881  -5.079  -5.079
  278    HD2  PHE  38           HD2      PHE  38   6.954  -1.440  -1.440
  279    HE1  PHE  38           HE1      PHE  38   5.285  -4.686  -4.686
  280    HE2  PHE  38           HE2      PHE  38   7.351  -1.044  -1.044
  281    HZ   PHE  38           HZ       PHE  38   6.516  -2.668  -2.668
  282    H    ILE  39           HN       ILE  39   8.122  -3.170  -3.170
  283    HA   ILE  39           HA       ILE  39  10.429  -4.770  -4.770
  284    HB   ILE  39           HB       ILE  39  11.535  -3.110  -3.110
  285   1HG1  ILE  39          HG12      ILE  39   9.273  -1.372  -1.372
  286   2HG1  ILE  39          HG11      ILE  39   8.947  -2.892  -2.892
  287   1HG2  ILE  39          HG23      ILE  39   9.777  -2.456  -2.456
  288   2HG2  ILE  39          HG22      ILE  39  10.274  -1.073  -1.073
  289   3HG2  ILE  39          HG21      ILE  39  11.490  -2.114  -2.114
  290   1HD1  ILE  39          HD12      ILE  39  11.692  -2.174  -2.174
  291   2HD1  ILE  39          HD11      ILE  39  10.679  -0.771  -0.771
  292   3HD1  ILE  39          HD13      ILE  39  10.380  -2.297  -2.297
  293    H    THR  40           HN       THR  40   8.356  -4.601  -4.601
  294    HA   THR  40           HA       THR  40  10.125  -6.718  -6.718
  295    HB   THR  40           HB       THR  40   8.396  -4.582  -4.582
  296    HG1  THR  40           HG1      THR  40  10.687  -4.088  -4.088
  297   1HG2  THR  40          HG23      THR  40   9.489  -7.066  -7.066
  298   2HG2  THR  40          HG22      THR  40  10.198  -5.683  -5.683
  299   3HG2  THR  40          HG21      THR  40   8.448  -5.892  -5.892
  300    H    LYS  41           HN       LYS  41   9.147  -8.609  -8.609
  301    HA   LYS  41           HA       LYS  41   6.522  -9.289  -9.289
  302   1HB   LYS  41           HB2      LYS  41   7.011 -11.437 -11.437
  303   2HB   LYS  41           HB1      LYS  41   8.504 -10.800 -10.800
  304   1HG   LYS  41           HG2      LYS  41   9.538 -10.909 -10.909
  305   2HG   LYS  41           HG1      LYS  41   8.373  -9.854  -9.854
  306   1HD   LYS  41           HD2      LYS  41   8.079 -12.854 -12.854
  307   2HD   LYS  41           HD1      LYS  41   8.505 -12.052 -12.052
  308   1HE   LYS  41           HE2      LYS  41   5.978 -11.178 -11.178
  309   2HE   LYS  41           HE1      LYS  41   5.947 -12.698 -12.698
  310   1HZ   LYS  41           HZ3      LYS  41   7.059 -10.128 -10.128
  311   2HZ   LYS  41           HZ2      LYS  41   5.454 -10.613 -10.613
  312   3HZ   LYS  41           HZ1      LYS  41   6.737 -11.531 -11.531
  313    H    GLY  42           HN       GLY  42   7.600  -7.865  -7.865
  314   1HA   GLY  42           HA2      GLY  42   5.506  -8.722  -8.722
  315   2HA   GLY  42           HA1      GLY  42   6.463  -7.259  -7.259
  316    H    LEU  43           HN       LEU  43   5.220  -6.898  -6.898
  317    HA   LEU  43           HA       LEU  43   3.402  -5.757  -5.757
  318   1HB   LEU  43           HB2      LEU  43   1.920  -6.647  -6.647
  319   2HB   LEU  43           HB1      LEU  43   1.274  -6.198  -6.198
  320    HG   LEU  43           HG       LEU  43   3.022  -8.581  -8.581
  321   1HD1  LEU  43          HD11      LEU  43   0.229  -8.032  -8.032
  322   2HD1  LEU  43          HD13      LEU  43   0.456  -9.262  -9.262
  323   3HD1  LEU  43          HD12      LEU  43   1.163  -9.486  -9.486
  324   1HD2  LEU  43          HD22      LEU  43   3.253  -7.442  -7.442
  325   2HD2  LEU  43          HD21      LEU  43   2.474  -9.020  -9.020
  326   3HD2  LEU  43          HD23      LEU  43   1.504  -7.549  -7.549
  327    H    GLY  44           HN       GLY  44   5.320  -4.285  -4.285
  328   1HA   GLY  44           HA2      GLY  44   5.565  -2.115  -2.115
  329   2HA   GLY  44           HA1      GLY  44   4.053  -1.773  -1.773
  330    H    ILE  45           HN       ILE  45   4.159  -4.342  -4.342
  331    HA   ILE  45           HA       ILE  45   2.100  -3.110  -3.110
  332    HB   ILE  45           HB       ILE  45   2.668  -5.040  -5.040
  333   1HG1  ILE  45          HG12      ILE  45   4.159  -6.706  -6.706
  334   2HG1  ILE  45          HG11      ILE  45   4.998  -5.176  -5.176
  335   1HG2  ILE  45          HG23      ILE  45   2.025  -5.351  -5.351
  336   2HG2  ILE  45          HG22      ILE  45   2.107  -6.767  -6.767
  337   3HG2  ILE  45          HG21      ILE  45   0.952  -5.480  -5.480
  338   1HD1  ILE  45          HD12      ILE  45   4.385  -5.389  -5.389
  339   2HD1  ILE  45          HD11      ILE  45   4.930  -6.988  -6.988
  340   3HD1  ILE  45          HD13      ILE  45   5.974  -5.587  -5.587
  341    H    SER  46           HN       SER  46   5.602  -3.641  -3.641
  342    HA   SER  46           HA       SER  46   5.865  -1.089  -1.089
  343   1HB   SER  46           HB2      SER  46   5.882  -1.864  -1.864
  344   2HB   SER  46           HB1      SER  46   4.319  -2.241  -2.241
  345    HG   SER  46           HG       SER  46   4.826  -4.157  -4.157
  346    H    TYR  47           HN       TYR  47   7.441  -3.107  -3.107
  347    HA   TYR  47           HA       TYR  47   9.720  -3.891  -3.891
  348   1HB   TYR  47           HB2      TYR  47  10.634  -4.658  -4.658
  349   2HB   TYR  47           HB1      TYR  47   8.932  -5.110  -5.110
  350    HD1  TYR  47           HD1      TYR  47  11.198  -2.496  -2.496
  351    HD2  TYR  47           HD2      TYR  47   7.364  -4.411  -4.411
  352    HE1  TYR  47           HE1      TYR  47  10.676  -1.268  -1.268
  353    HE2  TYR  47           HE2      TYR  47   6.839  -3.191  -3.191
  354    HH   TYR  47           HH       TYR  47   9.188  -0.925  -0.925
  355    H    GLY  48           HN       GLY  48   8.820  -1.052  -1.052
  356   1HA   GLY  48           HA2      GLY  48  10.049   1.029   1.029
  357   2HA   GLY  48           HA1      GLY  48  11.550   0.129   0.129
  358    H    ARG  49           HN       ARG  49   8.623   0.981   0.981
  359    HA   ARG  49           HA       ARG  49   9.848   0.572   0.572
  360   1HB   ARG  49           HB2      ARG  49   7.450   0.552   0.552
  361   2HB   ARG  49           HB1      ARG  49   7.508   2.302   2.302
  362   1HG   ARG  49           HG2      ARG  49   8.387   2.297   2.297
  363   2HG   ARG  49           HG1      ARG  49   7.953   0.603   0.603
  364   1HD   ARG  49           HD2      ARG  49   6.084   2.936   2.936
  365   2HD   ARG  49           HD1      ARG  49   6.110   1.877   1.877
  366    HE   ARG  49           HE       ARG  49   5.700  -0.005  -0.005
  367   1HH1  ARG  49          HH21      ARG  49   5.038   0.527   0.527
  368   2HH1  ARG  49          HH22      ARG  49   3.522   1.362   1.362
  369   1HH2  ARG  49          HH11      ARG  49   3.559   2.266   2.266
  370   2HH2  ARG  49          HH12      ARG  49   2.685   2.355   2.355
  371    H    LYS  50           HN       LYS  50  10.413   2.308   2.308
  372    HA   LYS  50           HA       LYS  50  11.449   4.759   4.759
  373   1HB   LYS  50           HB2      LYS  50  13.202   4.673   4.673
  374   2HB   LYS  50           HB1      LYS  50  13.207   3.272   3.272
  375   1HG   LYS  50           HG2      LYS  50  11.455   2.997   2.997
  376   2HG   LYS  50           HG1      LYS  50  13.162   3.217   3.217
  377   1HD   LYS  50           HD2      LYS  50  11.942   1.088   1.088
  378   2HD   LYS  50           HD1      LYS  50  12.591   0.854   0.854
  379   1HE   LYS  50           HE2      LYS  50  14.788   1.955   1.955
  380   2HE   LYS  50           HE1      LYS  50  14.032   1.315   1.315
  381   1HZ   LYS  50           HZ1      LYS  50  13.742  -0.816  -0.816
  382   2HZ   LYS  50           HZ3      LYS  50  14.529  -0.211  -0.211
  383   3HZ   LYS  50           HZ2      LYS  50  15.384  -0.387  -0.387
  384    H    LYS  51           HN       LYS  51   9.144   3.739   3.739
  385    HA   LYS  51           HA       LYS  51   7.700   4.986   4.986
  386   1HB   LYS  51           HB2      LYS  51   8.872   6.901   6.901
  387   2HB   LYS  51           HB1      LYS  51   8.927   7.568   7.568
  388   1HG   LYS  51           HG2      LYS  51   6.798   8.179   8.179
  389   2HG   LYS  51           HG1      LYS  51   6.397   6.532   6.532
  390   1HD   LYS  51           HD2      LYS  51   7.155   7.288   7.288
  391   2HD   LYS  51           HD1      LYS  51   5.496   7.346   7.346
  392   1HE   LYS  51           HE2      LYS  51   5.677   4.924   4.924
  393   2HE   LYS  51           HE1      LYS  51   7.290   4.888   4.888
  394   1HZ   LYS  51           HZ1      LYS  51   6.301   5.744   5.744
  395   2HZ   LYS  51           HZ3      LYS  51   4.759   5.676   5.676
  396   3HZ   LYS  51           HZ2      LYS  51   5.633   4.244   4.244
  397    H    ARG  52           HN       ARG  52  11.115   6.080   6.080
  398    HA   ARG  52           HA       ARG  52  10.902   6.689   6.689
  399   1HB   ARG  52           HB2      ARG  52  13.402   5.991   5.991
  400   2HB   ARG  52           HB1      ARG  52  13.274   7.033   7.033
  401   1HG   ARG  52           HG2      ARG  52  12.494   7.559   7.559
  402   2HG   ARG  52           HG1      ARG  52  13.419   8.584   8.584
  403   1HD   ARG  52           HD2      ARG  52  10.382   8.121   8.121
  404   2HD   ARG  52           HD1      ARG  52  11.236   9.589   9.589
  405    HE   ARG  52           HE       ARG  52  10.889   8.613   8.613
  406   1HH1  ARG  52          HH21      ARG  52  13.619   8.748   8.748
  407   2HH1  ARG  52          HH22      ARG  52  14.029  10.427  10.427
  408   1HH2  ARG  52          HH11      ARG  52  11.095  11.506  11.506
  409   2HH2  ARG  52          HH12      ARG  52  12.598  11.991  11.991
  410    H    ARG  53           HN       ARG  53  10.927   3.713   3.713
  411    HA   ARG  53           HA       ARG  53  12.560   2.033   2.033
  412   1HB   ARG  53           HB2      ARG  53  11.128   0.266   0.266
  413   2HB   ARG  53           HB1      ARG  53  11.449   1.461   1.461
  414   1HG   ARG  53           HG2      ARG  53   9.207   1.390   1.390
  415   2HG   ARG  53           HG1      ARG  53   9.199   2.592   2.592
  416   1HD   ARG  53           HD2      ARG  53   8.739   0.848   0.848
  417   2HD   ARG  53           HD1      ARG  53   8.793  -0.410  -0.410
  418    HE   ARG  53           HE       ARG  53   6.984   1.086   1.086
  419   1HH1  ARG  53          HH11      ARG  53   7.129  -0.534  -0.534
  420   2HH1  ARG  53          HH12      ARG  53   5.597   0.032   0.032
  421   1HH2  ARG  53          HH21      ARG  53   5.100   2.213   2.213
  422   2HH2  ARG  53          HH22      ARG  53   4.441   1.580   1.580
  423    H    GLN  54           HN       GLN  54   9.548   3.633   3.633
  424    HA   GLN  54           HA       GLN  54   8.612   1.866   1.866
  425   1HB   GLN  54           HB2      GLN  54   8.238   4.861   4.861
  426   2HB   GLN  54           HB1      GLN  54   7.280   3.844   3.844
  427   1HG   GLN  54           HG2      GLN  54   6.403   2.553   2.553
  428   2HG   GLN  54           HG1      GLN  54   7.488   3.262   3.262
  429   1HE2  GLN  54          HE22      GLN  54   5.644   6.401   6.401
  430   2HE2  GLN  54          HE21      GLN  54   7.246   5.816   5.816
  431    H    ARG  55           HN       ARG  55  10.770   4.705   4.705
  432    HA   ARG  55           HA       ARG  55  12.245   5.559   5.559
  433   1HB   ARG  55           HB2      ARG  55  12.002   2.628   2.628
  434   2HB   ARG  55           HB1      ARG  55  13.111   3.771   3.771
  435   1HG   ARG  55           HG2      ARG  55  13.782   4.255   4.255
  436   2HG   ARG  55           HG1      ARG  55  13.114   2.646   2.646
  437   1HD   ARG  55           HD2      ARG  55  14.635   1.818   1.818
  438   2HD   ARG  55           HD1      ARG  55  15.366   3.433   3.433
  439    HE   ARG  55           HE       ARG  55  15.568   2.938   2.938
  440   1HH1  ARG  55          HH21      ARG  55  15.324   0.243   0.243
  441   2HH1  ARG  55          HH22      ARG  55  16.794  -0.498  -0.498
  442   1HH2  ARG  55          HH11      ARG  55  17.800   2.242   2.242
  443   2HH2  ARG  55          HH12      ARG  55  18.199   0.636   0.636
  444    H    ARG  56           HN       ARG  56   9.226   5.566   5.566
  445    HA   ARG  56           HA       ARG  56   9.295   6.579   6.579
  446   1HB   ARG  56           HB2      ARG  56   7.811   4.931   4.931
  447   2HB   ARG  56           HB1      ARG  56   9.105   4.045   4.045
  448   1HG   ARG  56           HG2      ARG  56   7.294   4.341   4.341
  449   2HG   ARG  56           HG1      ARG  56   6.219   4.218   4.218
  450   1HD   ARG  56           HD2      ARG  56   8.472   2.305   2.305
  451   2HD   ARG  56           HD1      ARG  56   7.316   2.140   2.140
  452    HE   ARG  56           HE       ARG  56   5.877   2.527   2.527
  453   1HH1  ARG  56          HH11      ARG  56   5.230   0.392   0.392
  454   2HH1  ARG  56          HH12      ARG  56   5.563  -1.056  -1.056
  455   1HH2  ARG  56          HH21      ARG  56   7.409   0.566   0.566
  456   2HH2  ARG  56          HH22      ARG  56   6.802  -0.957  -0.957
  457    H    ARG  57           HN       ARG  57   8.658   7.700   7.700
  458    HA   ARG  57           HA       ARG  57   5.940   7.813   7.813
  459   1HB   ARG  57           HB2      ARG  57   7.923   8.774   8.774
  460   2HB   ARG  57           HB1      ARG  57   7.945  10.112  10.112
  461   1HG   ARG  57           HG2      ARG  57   6.722  10.930  10.930
  462   2HG   ARG  57           HG1      ARG  57   5.460  10.432  10.432
  463   1HD   ARG  57           HD2      ARG  57   5.386   8.211   8.211
  464   2HD   ARG  57           HD1      ARG  57   6.488   8.882   8.882
  465    HE   ARG  57           HE       ARG  57   3.686   9.752   9.752
  466   1HH1  ARG  57          HH21      ARG  57   4.422  12.312  12.312
  467   2HH1  ARG  57          HH22      ARG  57   4.783  12.486  12.486
  468   1HH2  ARG  57          HH11      ARG  57   5.135   9.072   9.072
  469   2HH2  ARG  57          HH12      ARG  57   5.188  10.647  10.647
  470    HA   PRO  58           HA       PRO  58   5.396  11.437  11.437
  471   1HB   PRO  58           HB2      PRO  58   7.124  11.490  11.490
  472   2HB   PRO  58           HB1      PRO  58   7.397  12.391  12.391
  473   1HG   PRO  58           HG2      PRO  58   8.532   9.769   9.769
  474   2HG   PRO  58           HG1      PRO  58   9.325  11.124  11.124
  475   1HD   PRO  58           HD2      PRO  58   8.561   8.893   8.893
  476   2HD   PRO  58           HD1      PRO  58   8.615  10.406  10.406
  477    H    SER  59           HN       SER  59   6.263   8.156   8.156
  478    HA   SER  59           HA       SER  59   4.797   8.159   8.159
  479   1HB   SER  59           HB2      SER  59   5.911   5.934   5.934
  480   2HB   SER  59           HB1      SER  59   5.312   5.728   5.728
  481    HG   SER  59           HG       SER  59   7.002   6.765   6.765
  482    H    GLN  60           HN       GLN  60   2.607   8.555   8.555
  483    HA   GLN  60           HA       GLN  60   1.049   6.593   6.593
  484   1HB   GLN  60           HB2      GLN  60   0.737   9.611   9.611
  485   2HB   GLN  60           HB1      GLN  60  -0.182   8.351   8.351
  486   1HG   GLN  60           HG2      GLN  60   1.581   7.441   7.441
  487   2HG   GLN  60           HG1      GLN  60   2.775   8.469   8.469
  488   1HE2  GLN  60          HE22      GLN  60   1.278  11.525  11.525
  489   2HE2  GLN  60          HE21      GLN  60   1.189  10.960  10.960
  490    H    GLY  61           HN       GLY  61   1.481   7.316   7.316
  491   1HA   GLY  61           HA2      GLY  61  -1.056   8.475   8.475
  492   2HA   GLY  61           HA1      GLY  61   0.188   7.786   7.786
  493    H    GLY  62           HN       GLY  62  -2.398   6.947   6.947
  494   1HA   GLY  62           HA2      GLY  62  -4.028   5.233   5.233
  495   2HA   GLY  62           HA1      GLY  62  -3.143   4.615   4.615
  496    H    GLN  63           HN       GLN  63  -1.336   5.337   5.337
  497    HA   GLN  63           HA       GLN  63  -0.446   2.591   2.591
  498   1HB   GLN  63           HB2      GLN  63  -0.102   5.166   5.166
  499   2HB   GLN  63           HB1      GLN  63   0.703   3.696   3.696
  500   1HG   GLN  63           HG2      GLN  63   0.870   5.077   5.077
  501   2HG   GLN  63           HG1      GLN  63   2.113   5.131   5.131
  502   1HE2  GLN  63          HE22      GLN  63   2.544   1.375   1.375
  503   2HE2  GLN  63          HE21      GLN  63   1.802   2.243   2.243
  504    H    THR  64           HN       THR  64  -2.979   4.522   4.522
  505    HA   THR  64           HA       THR  64  -4.431   4.076   4.076
  506    HB   THR  64           HB       THR  64  -3.817   1.365   1.365
  507    HG1  THR  64           HG1      THR  64  -4.922   2.309   2.309
  508   1HG2  THR  64          HG21      THR  64  -5.591   2.171   2.171
  509   2HG2  THR  64          HG23      THR  64  -6.312   1.101   1.101
  510   3HG2  THR  64          HG22      THR  64  -4.854   0.606   0.606
  511    H    HIS  65           HN       HIS  65  -1.891   4.577   4.577
  512    HA   HIS  65           HA       HIS  65  -0.695   2.476   2.476
  513   1HB   HIS  65           HB2      HIS  65  -0.419   5.451   5.451
  514   2HB   HIS  65           HB1      HIS  65   0.363   4.573   4.573
  515    HD1  HIS  65           HD1      HIS  65   1.936   5.961   5.961
  516    HD2  HIS  65           HD2      HIS  65   0.929   1.909   1.909
  517    HE1  HIS  65           HE1      HIS  65   3.530   4.768   4.768
  518    H    GLN  66           HN       GLN  66  -0.390   2.806   2.806
  519    HA   GLN  66           HA       GLN  66  -3.000   3.505   3.505
  520   1HB   GLN  66           HB2      GLN  66  -0.830   1.574   1.574
  521   2HB   GLN  66           HB1      GLN  66  -2.209   1.715   1.715
  522   1HG   GLN  66           HG2      GLN  66  -3.201   0.181   0.181
  523   2HG   GLN  66           HG1      GLN  66  -3.277   1.419   1.419
  524   1HE2  GLN  66          HE22      GLN  66  -0.626  -0.034  -0.034
  525   2HE2  GLN  66          HE21      GLN  66  -1.693   1.271   1.271
  526    H    ASP  67           HN       ASP  67   0.517   3.446   3.446
  527    HA   ASP  67           HA       ASP  67   0.322   5.071   5.071
  528   1HB   ASP  67           HB2      ASP  67   1.980   3.441   3.441
  529   2HB   ASP  67           HB1      ASP  67   2.557   3.984   3.984
  530    HA   PRO  68           HA       PRO  68   2.152   8.446   8.446
  531   1HB   PRO  68           HB2      PRO  68   2.180   8.082   8.082
  532   2HB   PRO  68           HB1      PRO  68   3.493   7.570   7.570
  533   1HG   PRO  68           HG2      PRO  68   1.369   6.036   6.036
  534   2HG   PRO  68           HG1      PRO  68   2.995   5.482   5.482
  535   1HD   PRO  68           HD2      PRO  68   0.763   4.801   4.801
  536   2HD   PRO  68           HD1      PRO  68   2.451   4.724   4.724
  537    H    ILE  69           HN       ILE  69  -0.680   6.769   6.769
  538    HA   ILE  69           HA       ILE  69  -1.942   9.463   9.463
  539    HB   ILE  69           HB       ILE  69  -2.702   8.968   8.968
  540   1HG1  ILE  69          HG12      ILE  69  -2.027   6.295   6.295
  541   2HG1  ILE  69          HG11      ILE  69  -3.069   6.290   6.290
  542   1HG2  ILE  69          HG23      ILE  69  -0.128   9.013   9.013
  543   2HG2  ILE  69          HG22      ILE  69  -0.210   7.277   7.277
  544   3HG2  ILE  69          HG21      ILE  69  -0.781   8.418   8.418
  545   1HD1  ILE  69          HD13      ILE  69  -4.516   7.907   7.907
  546   2HD1  ILE  69          HD12      ILE  69  -3.678   7.238   7.238
  547   3HD1  ILE  69          HD11      ILE  69  -4.602   6.177   6.177
  548    HA   PRO  70           HA       PRO  70  -4.585   6.242   6.242
  549   1HB   PRO  70           HB2      PRO  70  -4.426   7.431   7.431
  550   2HB   PRO  70           HB1      PRO  70  -3.366   6.096   6.096
  551   1HG   PRO  70           HG2      PRO  70  -2.904   9.052   9.052
  552   2HG   PRO  70           HG1      PRO  70  -1.802   7.753   7.753
  553   1HD   PRO  70           HD2      PRO  70  -1.572   9.025   9.025
  554   2HD   PRO  70           HD1      PRO  70  -1.227   7.268   7.268
  555    H    LYS  71           HN       LYS  71  -4.277   9.539   9.539
  556    HA   LYS  71           HA       LYS  71  -6.454  10.865  10.865
  557   1HB   LYS  71           HB2      LYS  71  -4.943  10.928  10.928
  558   2HB   LYS  71           HB1      LYS  71  -6.304  12.064  12.064
  559   1HG   LYS  71           HG2      LYS  71  -4.526  12.945  12.945
  560   2HG   LYS  71           HG1      LYS  71  -5.146  13.006  13.006
  561   1HD   LYS  71           HD2      LYS  71  -3.126  10.977  10.977
  562   2HD   LYS  71           HD1      LYS  71  -2.526  12.544  12.544
  563   1HE   LYS  71           HE2      LYS  71  -4.049  10.879  10.879
  564   2HE   LYS  71           HE1      LYS  71  -2.292  10.739  10.739
  565   1HZ   LYS  71           HZ1      LYS  71  -2.134  13.170  13.170
  566   2HZ   LYS  71           HZ3      LYS  71  -3.797  13.248  13.248
  567   3HZ   LYS  71           HZ2      LYS  71  -2.756  12.446  12.446
  568    H    GLN  72           HN       GLN  72  -6.276   8.993   8.993
  569    HA   GLN  72           HA       GLN  72  -9.063   8.147   8.147
  570   1HB   GLN  72           HB2      GLN  72  -9.040   9.699   9.699
  571   2HB   GLN  72           HB1      GLN  72  -9.869  10.117  10.117
  572   1HG   GLN  72           HG2      GLN  72  -8.649  11.922  11.922
  573   2HG   GLN  72           HG1      GLN  72  -7.662  11.410  11.410
  574   1HE2  GLN  72          HE22      GLN  72  -5.018  10.605  10.605
  575   2HE2  GLN  72          HE21      GLN  72  -5.514  10.139  10.139
  576    HA   PRO  73           HA       PRO  73  -7.697   5.464   5.464
  577   1HB   PRO  73           HB2      PRO  73  -9.217   6.015   6.015
  578   2HB   PRO  73           HB1      PRO  73  -9.840   5.101   5.101
  579   1HG   PRO  73           HG2      PRO  73 -10.064   8.064   8.064
  580   2HG   PRO  73           HG1      PRO  73 -11.377   6.908   6.908
  581   1HD   PRO  73           HD2      PRO  73 -10.362   8.511   8.511
  582   2HD   PRO  73           HD1      PRO  73 -10.604   6.814   6.814
  583    H    SER  74           HN       SER  74  -8.374   8.729   8.729
  584    HA   SER  74           HA       SER  74  -7.067  10.223  10.223
  585   1HB   SER  74           HB2      SER  74  -5.775  10.305  10.305
  586   2HB   SER  74           HB1      SER  74  -5.166   8.904   8.904
  587    HG   SER  74           HG       SER  74  -3.616   9.176   9.176
  588    H    SER  75           HN       SER  75  -6.387  10.375  10.375
  589    HA   SER  75           HA       SER  75  -5.860   9.642   9.642
  590   1HB   SER  75           HB2      SER  75  -4.064   8.451   8.451
  591   2HB   SER  75           HB1      SER  75  -4.328   7.326   7.326
  592    HG   SER  75           HG       SER  75  -3.051   9.762   9.762
  593    H    GLN  76           HN       GLN  76  -8.240   8.607   8.607
  594    HA   GLN  76           HA       GLN  76  -8.732   6.177   6.177
  595   1HB   GLN  76           HB2      GLN  76  -8.704   6.481   6.481
  596   2HB   GLN  76           HB1      GLN  76 -10.136   5.649   5.649
  597   1HG   GLN  76           HG2      GLN  76  -8.946   3.800   3.800
  598   2HG   GLN  76           HG1      GLN  76  -7.766   4.671   4.671
  599   1HE2  GLN  76          HE22      GLN  76  -5.391   4.927   4.927
  600   2HE2  GLN  76          HE21      GLN  76  -5.801   5.388   5.388
  601    HA   PRO  77           HA       PRO  77 -12.917   8.253   8.253
  602   1HB   PRO  77           HB2      PRO  77 -12.946  10.396  10.396
  603   2HB   PRO  77           HB1      PRO  77 -13.234   8.704   8.704
  604   1HG   PRO  77           HG2      PRO  77 -10.870  10.474  10.474
  605   2HG   PRO  77           HG1      PRO  77 -11.451   9.229   9.229
  606   1HD   PRO  77           HD2      PRO  77  -9.412   9.071   9.071
  607   2HD   PRO  77           HD1      PRO  77 -10.179   7.605   7.605
  608    H    ARG  78           HN       ARG  78 -10.001  10.144  10.144
  609    HA   ARG  78           HA       ARG  78 -11.330  11.990  11.990
  610   1HB   ARG  78           HB2      ARG  78  -9.161  12.582  12.582
  611   2HB   ARG  78           HB1      ARG  78 -10.008  13.818  13.818
  612   1HG   ARG  78           HG2      ARG  78 -12.116  12.928  12.928
  613   2HG   ARG  78           HG1      ARG  78 -10.920  12.063  12.063
  614   1HD   ARG  78           HD2      ARG  78  -9.896  14.114  14.114
  615   2HD   ARG  78           HD1      ARG  78 -10.865  15.077  15.077
  616    HE   ARG  78           HE       ARG  78 -12.664  13.535  13.535
  617   1HH1  ARG  78          HH11      ARG  78 -12.758  16.541  16.541
  618   2HH1  ARG  78          HH12      ARG  78 -12.507  17.083  17.083
  619   1HH2  ARG  78          HH21      ARG  78 -11.300  14.020  14.020
  620   2HH2  ARG  78          HH22      ARG  78 -11.681  15.651  15.651
  621    H    GLY  79           HN       GLY  79  -9.096   9.543   9.543
  622   1HA   GLY  79           HA2      GLY  79  -7.320  10.766  10.766
  623   2HA   GLY  79           HA1      GLY  79  -6.717   9.682   9.682
  624    H    ASP  80           HN       ASP  80  -6.570   7.572   7.572
  625    HA   ASP  80           HA       ASP  80  -7.532   6.706   6.706
  626   1HB   ASP  80           HB2      ASP  80  -6.172   5.362   5.362
  627   2HB   ASP  80           HB1      ASP  80  -6.535   4.521   4.521
  628    HA   PRO  81           HA       PRO  81 -11.466   5.217   5.217
  629   1HB   PRO  81           HB2      PRO  81 -12.119   3.704   3.704
  630   2HB   PRO  81           HB1      PRO  81 -12.178   5.471   5.471
  631   1HG   PRO  81           HG2      PRO  81 -10.078   3.657   3.657
  632   2HG   PRO  81           HG1      PRO  81 -10.731   5.151   5.151
  633   1HD   PRO  81           HD2      PRO  81  -8.343   4.979   4.979
  634   2HD   PRO  81           HD1      PRO  81  -9.310   6.467   6.467
  635    H    THR  82           HN       THR  82 -10.596   3.862   3.862
  636    HA   THR  82           HA       THR  82  -9.469   1.232   1.232
  637    HB   THR  82           HB       THR  82 -10.187   1.065   1.065
  638    HG1  THR  82           HG1      THR  82 -10.178   3.834   3.834
  639   1HG2  THR  82          HG21      THR  82  -8.212   3.124   3.124
  640   2HG2  THR  82          HG23      THR  82  -8.228   2.485   2.485
  641   3HG2  THR  82          HG22      THR  82  -7.885   1.415   1.415
  642    H    GLY  83           HN       GLY  83 -12.662   2.286   2.286
  643   1HA   GLY  83           HA2      GLY  83 -14.167   0.434   0.434
  644   2HA   GLY  83           HA1      GLY  83 -13.805  -0.318  -0.318
  645    HA   PRO  84           HA       PRO  84 -17.185   2.261   2.261
  646   1HB   PRO  84           HB2      PRO  84 -17.326   1.150   1.150
  647   2HB   PRO  84           HB1      PRO  84 -17.874   0.315   0.315
  648   1HG   PRO  84           HG2      PRO  84 -15.563  -0.227  -0.227
  649   2HG   PRO  84           HG1      PRO  84 -16.242  -1.227  -1.227
  650   1HD   PRO  84           HD2      PRO  84 -14.081   0.737   0.737
  651   2HD   PRO  84           HD1      PRO  84 -14.148  -0.572  -0.572
  652    H    LYS  85           HN       LYS  85 -14.077   2.907   2.907
  653    HA   LYS  85           HA       LYS  85 -14.453   4.449   4.449
  654   1HB   LYS  85           HB2      LYS  85 -12.046   4.465   4.465
  655   2HB   LYS  85           HB1      LYS  85 -12.098   4.688   4.688
  656   1HG   LYS  85           HG2      LYS  85 -12.398   2.126   2.126
  657   2HG   LYS  85           HG1      LYS  85 -11.229   2.507   2.507
  658   1HD   LYS  85           HD2      LYS  85 -14.217   2.351   2.351
  659   2HD   LYS  85           HD1      LYS  85 -13.156   0.992   0.992
  660   1HE   LYS  85           HE2      LYS  85 -11.666   2.257   2.257
  661   2HE   LYS  85           HE1      LYS  85 -12.903   3.523   3.523
  662   1HZ   LYS  85           HZ2      LYS  85 -14.544   1.830   1.830
  663   2HZ   LYS  85           HZ1      LYS  85 -13.338   0.632   0.632
  664   3HZ   LYS  85           HZ3      LYS  85 -13.285   1.873   1.873
  665    H    GLU  86           HN       GLU  86 -15.105   4.966   4.966
  666    HA   GLU  86           HA       GLU  86 -14.225   7.718   7.718
  667   1HB   GLU  86           HB2      GLU  86 -16.283   6.006   6.006
  668   2HB   GLU  86           HB1      GLU  86 -15.645   7.543   7.543
  669   1HG   GLU  86           HG2      GLU  86 -13.353   6.442   6.442
  670   2HG   GLU  86           HG1      GLU  86 -14.248   4.929   4.929

  Start of MODEL    2
    1   1H    LEU   1           HT2      LEU   1  16.036 -10.461 -10.461
    2   2H    LEU   1           HT1      LEU   1  15.691 -10.057 -10.057
    3   3H    LEU   1           HT3      LEU   1  14.997 -11.442 -11.442
    4    HA   LEU   1           HA       LEU   1  13.676 -10.108 -10.108
    5   1HB   LEU   1           HB2      LEU   1  13.356 -10.515 -10.515
    6   2HB   LEU   1           HB1      LEU   1  13.209  -8.748  -8.748
    7    HG   LEU   1           HG       LEU   1  11.474  -8.903  -8.903
    8   1HD1  LEU   1          HD12      LEU   1  12.097 -11.844 -11.844
    9   2HD1  LEU   1          HD11      LEU   1  10.451 -11.309 -11.309
   10   3HD1  LEU   1          HD13      LEU   1  11.774 -10.814 -10.814
   11   1HD2  LEU   1          HD22      LEU   1  11.264  -9.556  -9.556
   12   2HD2  LEU   1          HD21      LEU   1   9.938  -9.131  -9.131
   13   3HD2  LEU   1          HD23      LEU   1  10.343 -10.825 -10.825
   14    H    ASP   2           HN       ASP   2  12.690  -7.640  -7.640
   15    HA   ASP   2           HA       ASP   2  13.049  -5.390  -5.390
   16   1HB   ASP   2           HB2      ASP   2  13.984  -5.653  -5.653
   17   2HB   ASP   2           HB1      ASP   2  15.582  -5.766  -5.766
   18    HA   PRO   3           HA       PRO   3  16.194  -6.398  -6.398
   19   1HB   PRO   3           HB2      PRO   3  14.487  -6.821  -6.821
   20   2HB   PRO   3           HB1      PRO   3  14.945  -8.086  -8.086
   21   1HG   PRO   3           HG2      PRO   3  12.389  -6.675  -6.675
   22   2HG   PRO   3           HG1      PRO   3  12.743  -8.227  -8.227
   23   1HD   PRO   3           HD2      PRO   3  12.385  -5.633  -5.633
   24   2HD   PRO   3           HD1      PRO   3  12.618  -7.188  -7.188
   25    H    VAL   4           HN       VAL   4  13.415  -5.057  -5.057
   26    HA   VAL   4           HA       VAL   4  14.859  -2.666  -2.666
   27    HB   VAL   4           HB       VAL   4  12.046  -3.786  -3.786
   28   1HG1  VAL   4          HG12      VAL   4  12.921  -1.032  -1.032
   29   2HG1  VAL   4          HG11      VAL   4  11.644  -1.904  -1.904
   30   3HG1  VAL   4          HG13      VAL   4  11.457  -1.510  -1.510
   31   1HG2  VAL   4          HG21      VAL   4  14.374  -4.094  -4.094
   32   2HG2  VAL   4          HG23      VAL   4  12.748  -4.657  -4.657
   33   3HG2  VAL   4          HG22      VAL   4  13.299  -3.089  -3.089
   34    H    ASP   5           HN       ASP   5  11.984  -3.265  -3.265
   35    HA   ASP   5           HA       ASP   5  12.755  -1.426  -1.426
   36   1HB   ASP   5           HB2      ASP   5  11.015  -0.589  -0.589
   37   2HB   ASP   5           HB1      ASP   5  10.356  -0.215  -0.215
   38    HA   PRO   6           HA       PRO   6   8.957  -3.907  -3.907
   39   1HB   PRO   6           HB2      PRO   6   6.883  -4.197  -4.197
   40   2HB   PRO   6           HB1      PRO   6   7.144  -2.711  -2.711
   41   1HG   PRO   6           HG2      PRO   6   7.504  -3.165  -3.165
   42   2HG   PRO   6           HG1      PRO   6   7.440  -1.635  -1.635
   43   1HD   PRO   6           HD2      PRO   6   9.687  -3.208  -3.208
   44   2HD   PRO   6           HD1      PRO   6   9.574  -1.482  -1.482
   45    H    ASN   7           HN       ASN   7   7.572  -6.122  -6.122
   46    HA   ASN   7           HA       ASN   7   9.736  -7.855  -7.855
   47   1HB   ASN   7           HB2      ASN   7   6.777  -8.266  -8.266
   48   2HB   ASN   7           HB1      ASN   7   7.901  -9.580  -9.580
   49   1HD2  ASN   7          HD22      ASN   7   7.726  -8.330  -8.330
   50   2HD2  ASN   7          HD21      ASN   7   6.547  -7.954  -7.954
   51    H    ILE   8           HN       ILE   8   6.563  -6.909  -6.909
   52    HA   ILE   8           HA       ILE   8   7.720  -7.350  -7.350
   53    HB   ILE   8           HB       ILE   8   5.791  -8.584  -8.584
   54   1HG1  ILE   8          HG12      ILE   8   4.094  -7.143  -7.143
   55   2HG1  ILE   8          HG11      ILE   8   3.787  -8.861  -8.861
   56   1HG2  ILE   8          HG23      ILE   8   6.669  -9.444  -9.444
   57   2HG2  ILE   8          HG22      ILE   8   5.671 -10.440 -10.440
   58   3HG2  ILE   8          HG21      ILE   8   7.304  -9.993  -9.993
   59   1HD1  ILE   8          HD13      ILE   8   5.214  -8.652  -8.652
   60   2HD1  ILE   8          HD12      ILE   8   4.681  -6.976  -6.976
   61   3HD1  ILE   8          HD11      ILE   8   3.492  -8.275  -8.275
   62    H    GLU   9           HN       GLU   9   6.772  -4.980  -4.980
   63    HA   GLU   9           HA       GLU   9   5.740  -2.879  -2.879
   64   1HB   GLU   9           HB2      GLU   9   6.568  -3.746  -3.746
   65   2HB   GLU   9           HB1      GLU   9   5.785  -2.198  -2.198
   66   1HG   GLU   9           HG2      GLU   9   7.523  -1.615  -1.615
   67   2HG   GLU   9           HG1      GLU   9   8.322  -3.159  -3.159
   68    HA   PRO  10           HA       PRO  10   1.724  -4.776  -4.776
   69   1HB   PRO  10           HB2      PRO  10   0.682  -5.357  -5.357
   70   2HB   PRO  10           HB1      PRO  10   1.753  -6.373  -6.373
   71   1HG   PRO  10           HG2      PRO  10   2.229  -4.653  -4.653
   72   2HG   PRO  10           HG1      PRO  10   3.050  -6.246  -6.246
   73   1HD   PRO  10           HD2      PRO  10   3.936  -3.572  -3.572
   74   2HD   PRO  10           HD1      PRO  10   4.751  -5.049  -5.049
   75    H    TRP  11           HN       TRP  11   2.405  -1.962  -1.962
   76    HA   TRP  11           HA       TRP  11   0.057  -0.930  -0.930
   77   1HB   TRP  11           HB2      TRP  11   2.495   0.501   0.501
   78   2HB   TRP  11           HB1      TRP  11   1.366   1.111   1.111
   79    HD1  TRP  11           HD1      TRP  11   4.305  -1.212  -1.212
   80    HE1  TRP  11           HE1      TRP  11   4.979  -1.831  -1.831
   81    HE3  TRP  11           HE3      TRP  11   0.395   0.834   0.834
   82    HZ2  TRP  11           HZ2      TRP  11   3.987  -1.490  -1.490
   83    HZ3  TRP  11           HZ3      TRP  11   0.294   0.669   0.669
   84    HH2  TRP  11           HH2      TRP  11   2.077  -0.487  -0.487
   85    H    ASN  12           HN       ASN  12  -0.529  -2.129  -2.129
   86    HA   ASN  12           HA       ASN  12  -1.441   0.187   0.187
   87   1HB   ASN  12           HB2      ASN  12  -0.597  -1.270  -1.270
   88   2HB   ASN  12           HB1      ASN  12   0.515  -0.233  -0.233
   89   1HD2  ASN  12          HD22      ASN  12   2.236  -2.903  -2.903
   90   2HD2  ASN  12          HD21      ASN  12   1.804  -1.282  -1.282
   91    H    HIS  13           HN       HIS  13  -3.489  -0.519  -0.519
   92    HA   HIS  13           HA       HIS  13  -4.511  -3.182  -3.182
   93   1HB   HIS  13           HB2      HIS  13  -5.303  -1.015  -1.015
   94   2HB   HIS  13           HB1      HIS  13  -6.438  -2.305  -2.305
   95    HD1  HIS  13           HD1      HIS  13  -6.195  -3.054  -3.054
   96    HD2  HIS  13           HD2      HIS  13  -2.737  -3.471  -3.471
   97    HE1  HIS  13           HE1      HIS  13  -4.643  -4.563  -4.563
   98    HA   PRO  14           HA       PRO  14  -6.877  -1.311  -1.311
   99   1HB   PRO  14           HB2      PRO  14  -8.817  -3.328  -3.328
  100   2HB   PRO  14           HB1      PRO  14  -7.151  -3.401  -3.401
  101   1HG   PRO  14           HG2      PRO  14  -8.391  -4.425  -4.425
  102   2HG   PRO  14           HG1      PRO  14  -7.320  -5.275  -5.275
  103   1HD   PRO  14           HD2      PRO  14  -6.368  -4.200  -4.200
  104   2HD   PRO  14           HD1      PRO  14  -5.391  -4.271  -4.271
  105    H    GLY  15           HN       GLY  15  -8.019  -2.033  -2.033
  106   1HA   GLY  15           HA2      GLY  15  -9.642  -1.085  -1.085
  107   2HA   GLY  15           HA1      GLY  15  -9.949   0.135   0.135
  108    H    SER  16           HN       SER  16 -10.034  -3.215  -3.215
  109    HA   SER  16           HA       SER  16 -13.004  -3.347  -3.347
  110   1HB   SER  16           HB2      SER  16 -11.267  -3.161  -3.161
  111   2HB   SER  16           HB1      SER  16 -12.569  -4.369  -4.369
  112    HG   SER  16           HG       SER  16 -13.274  -2.328  -2.328
  113    H    GLN  17           HN       GLN  17 -10.091  -4.866  -4.866
  114    HA   GLN  17           HA       GLN  17 -11.386  -7.548  -7.548
  115   1HB   GLN  17           HB2      GLN  17  -8.702  -6.749  -6.749
  116   2HB   GLN  17           HB1      GLN  17  -9.159  -8.400  -8.400
  117   1HG   GLN  17           HG2      GLN  17 -10.594  -8.746  -8.746
  118   2HG   GLN  17           HG1      GLN  17 -11.149  -7.079  -7.079
  119   1HE2  GLN  17          HE22      GLN  17  -8.755  -6.069  -6.069
  120   2HE2  GLN  17          HE21      GLN  17  -9.895  -5.531  -5.531
  121    HA   PRO  18           HA       PRO  18  -7.909  -7.843  -7.843
  122   1HB   PRO  18           HB2      PRO  18  -6.304  -5.665  -5.665
  123   2HB   PRO  18           HB1      PRO  18  -5.907  -6.951  -6.951
  124   1HG   PRO  18           HG2      PRO  18  -7.167  -4.283  -4.283
  125   2HG   PRO  18           HG1      PRO  18  -5.871  -5.097  -5.097
  126   1HD   PRO  18           HD2      PRO  18  -8.358  -5.002  -5.002
  127   2HD   PRO  18           HD1      PRO  18  -7.356  -6.460  -6.460
  128    H    LYS  19           HN       LYS  19  -9.546  -4.757  -4.757
  129    HA   LYS  19           HA       LYS  19 -10.255  -4.764  -4.764
  130   1HB   LYS  19           HB2      LYS  19 -10.101  -2.309  -2.309
  131   2HB   LYS  19           HB1      LYS  19  -8.578  -3.038  -3.038
  132   1HG   LYS  19           HG2      LYS  19  -8.955  -2.582  -2.582
  133   2HG   LYS  19           HG1      LYS  19 -10.684  -2.260  -2.260
  134   1HD   LYS  19           HD2      LYS  19  -8.986  -0.508  -0.508
  135   2HD   LYS  19           HD1      LYS  19  -8.617  -0.387  -0.387
  136   1HE   LYS  19           HE2      LYS  19 -11.175  -0.171  -0.171
  137   2HE   LYS  19           HE1      LYS  19 -11.266   0.110   0.110
  138   1HZ   LYS  19           HZ3      LYS  19  -9.499   1.807   1.807
  139   2HZ   LYS  19           HZ2      LYS  19  -9.606   1.603   1.603
  140   3HZ   LYS  19           HZ1      LYS  19 -10.934   2.207   2.207
  141    H    THR  20           HN       THR  20 -11.667  -5.791  -5.791
  142    HA   THR  20           HA       THR  20 -14.281  -4.512  -4.512
  143    HB   THR  20           HB       THR  20 -12.732  -4.320  -4.320
  144    HG1  THR  20           HG1      THR  20 -14.227  -2.486  -2.486
  145   1HG2  THR  20          HG21      THR  20 -15.715  -4.318  -4.318
  146   2HG2  THR  20          HG23      THR  20 -14.988  -3.364  -3.364
  147   3HG2  THR  20          HG22      THR  20 -14.772  -5.115  -5.115
  148    H    ALA  21           HN       ALA  21 -12.431  -7.060  -7.060
  149    HA   ALA  21           HA       ALA  21 -14.695  -8.497  -8.497
  150   1HB   ALA  21           HB2      ALA  21 -11.862  -9.289  -9.289
  151   2HB   ALA  21           HB1      ALA  21 -12.976 -10.350 -10.350
  152   3HB   ALA  21           HB3      ALA  21 -12.472  -8.827  -8.827
  153    H    CYS  22           HN       CYS  22 -15.900  -8.151  -8.151
  154    HA   CYS  22           HA       CYS  22 -16.867  -9.148  -9.148
  155   1HB   CYS  22           HB2      CYS  22 -16.501 -10.814 -10.814
  156   2HB   CYS  22           HB1      CYS  22 -15.775 -11.829 -11.829
  157    HG   CYS  22           HG       CYS  22 -18.366 -12.294 -12.294
  158    H    ASN  23           HN       ASN  23 -13.785  -8.456  -8.456
  159    HA   ASN  23           HA       ASN  23 -12.614 -10.243 -10.243
  160   1HB   ASN  23           HB2      ASN  23 -10.689  -8.984  -8.984
  161   2HB   ASN  23           HB1      ASN  23 -11.628  -8.633  -8.633
  162   1HD2  ASN  23          HD22      ASN  23 -12.646  -5.353  -5.353
  163   2HD2  ASN  23          HD21      ASN  23 -13.452  -6.732  -6.732
  164    H    ARG  24           HN       ARG  24 -11.419  -8.140  -8.140
  165    HA   ARG  24           HA       ARG  24 -13.781  -7.125  -7.125
  166   1HB   ARG  24           HB2      ARG  24 -12.474  -7.769  -7.769
  167   2HB   ARG  24           HB1      ARG  24 -12.822  -9.061  -9.061
  168   1HG   ARG  24           HG2      ARG  24 -10.340  -8.334  -8.334
  169   2HG   ARG  24           HG1      ARG  24 -10.208  -7.939  -7.939
  170   1HD   ARG  24           HD2      ARG  24  -9.598 -10.086 -10.086
  171   2HD   ARG  24           HD1      ARG  24 -11.384 -10.335 -10.335
  172    HE   ARG  24           HE       ARG  24 -11.081 -10.121 -10.121
  173   1HH1  ARG  24          HH21      ARG  24  -8.272 -10.643 -10.643
  174   2HH1  ARG  24          HH22      ARG  24  -8.146 -12.370 -12.370
  175   1HH2  ARG  24          HH11      ARG  24 -11.326 -12.886 -12.886
  176   2HH2  ARG  24          HH12      ARG  24  -9.879 -13.642 -13.642
  177    H    CYS  25           HN       CYS  25 -10.222  -6.694  -6.694
  178    HA   CYS  25           HA       CYS  25  -9.035  -4.695  -4.695
  179   1HB   CYS  25           HB2      CYS  25 -11.449  -3.992  -3.992
  180   2HB   CYS  25           HB1      CYS  25 -11.394  -3.044  -3.044
  181    HG   CYS  25           HG       CYS  25 -10.397  -1.603  -1.603
  182    H    HIS  26           HN       HIS  26  -9.299  -6.104  -6.104
  183    HA   HIS  26           HA       HIS  26  -7.958  -4.125  -4.125
  184   1HB   HIS  26           HB2      HIS  26  -9.752  -4.748  -4.748
  185   2HB   HIS  26           HB1      HIS  26  -9.933  -3.390  -3.390
  186    HD1  HIS  26           HD1      HIS  26 -11.523  -6.581  -6.581
  187    HD2  HIS  26           HD2      HIS  26 -11.729  -3.978  -3.978
  188    HE1  HIS  26           HE1      HIS  26 -13.607  -7.209  -7.209
  189    H    CYS  27           HN       CYS  27  -9.815  -7.161  -7.161
  190    HA   CYS  27           HA       CYS  27  -7.875  -8.380  -8.380
  191   1HB   CYS  27           HB2      CYS  27 -10.049  -9.368  -9.368
  192   2HB   CYS  27           HB1      CYS  27  -9.057 -10.511 -10.511
  193    HG   CYS  27           HG       CYS  27 -11.345  -8.955  -8.955
  194    H    LYS  28           HN       LYS  28  -8.023  -7.964  -7.964
  195    HA   LYS  28           HA       LYS  28  -6.353  -9.941  -9.941
  196   1HB   LYS  28           HB2      LYS  28  -7.526  -8.498  -8.498
  197   2HB   LYS  28           HB1      LYS  28  -6.947  -7.048  -7.048
  198   1HG   LYS  28           HG2      LYS  28  -4.655  -7.562  -7.562
  199   2HG   LYS  28           HG1      LYS  28  -5.324  -9.068  -9.068
  200   1HD   LYS  28           HD2      LYS  28  -5.335  -7.440  -7.440
  201   2HD   LYS  28           HD1      LYS  28  -7.001  -7.723  -7.723
  202   1HE   LYS  28           HE2      LYS  28  -6.786  -5.657  -5.657
  203   2HE   LYS  28           HE1      LYS  28  -5.232  -5.356  -5.356
  204   1HZ   LYS  28           HZ1      LYS  28  -6.458  -5.529  -5.529
  205   2HZ   LYS  28           HZ3      LYS  28  -7.911  -5.663  -5.663
  206   3HZ   LYS  28           HZ2      LYS  28  -6.998  -4.234  -4.234
  207    H    LYS  29           HN       LYS  29  -5.449  -6.985  -6.985
  208    HA   LYS  29           HA       LYS  29  -2.743  -8.054  -8.054
  209   1HB   LYS  29           HB2      LYS  29  -1.588  -6.426  -6.426
  210   2HB   LYS  29           HB1      LYS  29  -2.914  -6.831  -6.831
  211   1HG   LYS  29           HG2      LYS  29  -2.694  -4.384  -4.384
  212   2HG   LYS  29           HG1      LYS  29  -2.727  -4.446  -4.446
  213   1HD   LYS  29           HD2      LYS  29  -5.069  -5.526  -5.526
  214   2HD   LYS  29           HD1      LYS  29  -4.897  -5.017  -5.017
  215   1HE   LYS  29           HE2      LYS  29  -6.152  -3.308  -3.308
  216   2HE   LYS  29           HE1      LYS  29  -4.563  -2.656  -2.656
  217   1HZ   LYS  29           HZ3      LYS  29  -5.149  -4.039  -4.039
  218   2HZ   LYS  29           HZ2      LYS  29  -5.344  -2.362  -2.362
  219   3HZ   LYS  29           HZ1      LYS  29  -3.809  -3.066  -3.066
  220    H    CYS  30           HN       CYS  30  -5.284  -6.827  -6.827
  221    HA   CYS  30           HA       CYS  30  -4.038  -4.554  -4.554
  222   1HB   CYS  30           HB2      CYS  30  -6.412  -4.547  -4.547
  223   2HB   CYS  30           HB1      CYS  30  -6.742  -5.913  -5.913
  224    HG   CYS  30           HG       CYS  30  -7.302  -3.823  -3.823
  225    H    CYS  31           HN       CYS  31  -2.602  -5.111  -5.111
  226    HA   CYS  31           HA       CYS  31  -3.278  -6.364  -6.364
  227   1HB   CYS  31           HB2      CYS  31  -3.522  -8.456  -8.456
  228   2HB   CYS  31           HB1      CYS  31  -2.009  -8.186  -8.186
  229    HG   CYS  31           HG       CYS  31  -1.254  -9.689  -9.689
  230    H    TYR  32           HN       TYR  32  -0.781  -5.713  -5.713
  231    HA   TYR  32           HA       TYR  32   1.120  -5.015  -5.015
  232   1HB   TYR  32           HB2      TYR  32   2.579  -5.446  -5.446
  233   2HB   TYR  32           HB1      TYR  32   2.544  -6.372  -6.372
  234    HD1  TYR  32           HD1      TYR  32   0.396  -5.992  -5.992
  235    HD2  TYR  32           HD2      TYR  32   2.028  -8.576  -8.576
  236    HE1  TYR  32           HE1      TYR  32  -0.663  -7.944  -7.944
  237    HE2  TYR  32           HE2      TYR  32   0.965 -10.528 -10.528
  238    HH   TYR  32           HH       TYR  32  -1.393 -10.549 -10.549
  239    H    HIS  33           HN       HIS  33  -0.895  -3.329  -3.329
  240    HA   HIS  33           HA       HIS  33  -1.227  -1.108  -1.108
  241   1HB   HIS  33           HB2      HIS  33   1.783  -1.131  -1.131
  242   2HB   HIS  33           HB1      HIS  33   0.724   0.267   0.267
  243    HD1  HIS  33           HD1      HIS  33   0.060   1.026   1.026
  244    HD2  HIS  33           HD2      HIS  33   2.247  -2.520  -2.520
  245    HE1  HIS  33           HE1      HIS  33   0.662   0.574   0.574
  246    H    CYS  34           HN       CYS  34  -0.882  -3.537  -3.537
  247    HA   CYS  34           HA       CYS  34  -1.206  -3.876  -3.876
  248   1HB   CYS  34           HB2      CYS  34  -3.148  -2.756  -2.756
  249   2HB   CYS  34           HB1      CYS  34  -2.404  -1.216  -1.216
  250    HG   CYS  34           HG       CYS  34  -3.167  -0.968  -0.968
  251    H    GLN  35           HN       GLN  35   0.885  -4.086  -4.086
  252    HA   GLN  35           HA       GLN  35   2.163  -1.563  -1.563
  253   1HB   GLN  35           HB2      GLN  35   3.391  -4.229  -4.229
  254   2HB   GLN  35           HB1      GLN  35   4.266  -2.818  -2.818
  255   1HG   GLN  35           HG2      GLN  35   2.712  -2.974  -2.974
  256   2HG   GLN  35           HG1      GLN  35   4.465  -2.770  -2.770
  257   1HE2  GLN  35          HE22      GLN  35   2.255   0.501   0.501
  258   2HE2  GLN  35          HE21      GLN  35   1.783  -1.032  -1.032
  259    H    VAL  36           HN       VAL  36   0.360  -4.129  -4.129
  260    HA   VAL  36           HA       VAL  36   0.166  -5.278  -5.278
  261    HB   VAL  36           HB       VAL  36   1.325  -2.670  -2.670
  262   1HG1  VAL  36          HG11      VAL  36   0.221  -4.852  -4.852
  263   2HG1  VAL  36          HG13      VAL  36  -1.003  -3.582  -3.582
  264   3HG1  VAL  36          HG12      VAL  36   0.618  -3.259  -3.259
  265   1HG2  VAL  36          HG22      VAL  36  -1.484  -3.153  -3.153
  266   2HG2  VAL  36          HG21      VAL  36  -0.309  -2.021  -2.021
  267   3HG2  VAL  36          HG23      VAL  36  -0.966  -1.758  -1.758
  268    H    CYS  37           HN       CYS  37   2.238  -6.518  -6.518
  269    HA   CYS  37           HA       CYS  37   4.393  -7.437  -7.437
  270   1HB   CYS  37           HB2      CYS  37   3.001  -7.136  -7.136
  271   2HB   CYS  37           HB1      CYS  37   4.555  -7.954  -7.954
  272    HG   CYS  37           HG       CYS  37   2.390  -9.580  -9.580
  273    H    PHE  38           HN       PHE  38   5.176  -5.061  -5.061
  274    HA   PHE  38           HA       PHE  38   6.508  -3.675  -3.675
  275   1HB   PHE  38           HB2      PHE  38   6.726  -1.841  -1.841
  276   2HB   PHE  38           HB1      PHE  38   5.120  -2.526  -2.526
  277    HD1  PHE  38           HD1      PHE  38   6.536  -4.982  -4.982
  278    HD2  PHE  38           HD2      PHE  38   6.611  -0.691  -0.691
  279    HE1  PHE  38           HE1      PHE  38   7.116  -5.113  -5.113
  280    HE2  PHE  38           HE2      PHE  38   7.198  -0.831  -0.831
  281    HZ   PHE  38           HZ       PHE  38   7.454  -3.041  -3.041
  282    H    ILE  39           HN       ILE  39   8.542  -2.861  -2.861
  283    HA   ILE  39           HA       ILE  39  10.805  -4.191  -4.191
  284    HB   ILE  39           HB       ILE  39  10.240  -3.136  -3.136
  285   1HG1  ILE  39          HG12      ILE  39   9.923  -1.756  -1.756
  286   2HG1  ILE  39          HG11      ILE  39  10.398  -1.039  -1.039
  287   1HG2  ILE  39          HG22      ILE  39  12.769  -3.823  -3.823
  288   2HG2  ILE  39          HG21      ILE  39  12.777  -2.585  -2.585
  289   3HG2  ILE  39          HG23      ILE  39  12.304  -4.239  -4.239
  290   1HD1  ILE  39          HD11      ILE  39  12.262  -2.159  -2.159
  291   2HD1  ILE  39          HD13      ILE  39  11.858  -0.450  -0.450
  292   3HD1  ILE  39          HD12      ILE  39  12.802  -1.239  -1.239
  293    H    THR  40           HN       THR  40   9.547  -4.915  -4.915
  294    HA   THR  40           HA       THR  40  10.749  -7.615  -7.615
  295    HB   THR  40           HB       THR  40  10.905  -5.874  -5.874
  296    HG1  THR  40           HG1      THR  40  10.164  -8.538  -8.538
  297   1HG2  THR  40          HG23      THR  40   8.158  -7.041  -7.041
  298   2HG2  THR  40          HG22      THR  40   9.101  -6.387  -6.387
  299   3HG2  THR  40          HG21      THR  40   8.638  -5.346  -5.346
  300    H    LYS  41           HN       LYS  41   9.514  -9.524  -9.524
  301    HA   LYS  41           HA       LYS  41   6.916  -9.721  -9.721
  302   1HB   LYS  41           HB2      LYS  41   7.069 -12.063 -12.063
  303   2HB   LYS  41           HB1      LYS  41   8.554 -11.532 -11.532
  304   1HG   LYS  41           HG2      LYS  41   9.733 -12.041 -12.041
  305   2HG   LYS  41           HG1      LYS  41   8.885 -10.852 -10.852
  306   1HD   LYS  41           HD2      LYS  41   7.735 -13.610 -13.610
  307   2HD   LYS  41           HD1      LYS  41   8.858 -13.332 -13.332
  308   1HE   LYS  41           HE2      LYS  41   6.321 -11.656 -11.656
  309   2HE   LYS  41           HE1      LYS  41   6.355 -13.175 -13.175
  310   1HZ   LYS  41           HZ2      LYS  41   8.199 -10.870 -10.870
  311   2HZ   LYS  41           HZ1      LYS  41   6.876 -11.261 -11.261
  312   3HZ   LYS  41           HZ3      LYS  41   8.196 -12.319 -12.319
  313    H    GLY  42           HN       GLY  42   7.981  -9.220  -9.220
  314   1HA   GLY  42           HA2      GLY  42   5.501  -9.980  -9.980
  315   2HA   GLY  42           HA1      GLY  42   6.812  -9.010  -9.010
  316    H    LEU  43           HN       LEU  43   6.350  -7.335  -7.335
  317    HA   LEU  43           HA       LEU  43   5.196  -5.446  -5.446
  318   1HB   LEU  43           HB2      LEU  43   2.957  -6.799  -6.799
  319   2HB   LEU  43           HB1      LEU  43   2.761  -5.468  -5.468
  320    HG   LEU  43           HG       LEU  43   4.025  -8.101  -8.101
  321   1HD1  LEU  43          HD11      LEU  43   1.178  -7.194  -7.194
  322   2HD1  LEU  43          HD13      LEU  43   1.906  -8.356  -8.356
  323   3HD1  LEU  43          HD12      LEU  43   1.797  -8.730  -8.730
  324   1HD2  LEU  43          HD23      LEU  43   4.722  -6.168  -6.168
  325   2HD2  LEU  43          HD22      LEU  43   3.721  -7.271  -7.271
  326   3HD2  LEU  43          HD21      LEU  43   3.031  -5.775  -5.775
  327    H    GLY  44           HN       GLY  44   6.897  -4.894  -4.894
  328   1HA   GLY  44           HA2      GLY  44   7.274  -3.067  -3.067
  329   2HA   GLY  44           HA1      GLY  44   5.579  -2.639  -2.639
  330    H    ILE  45           HN       ILE  45   6.342  -5.867  -5.867
  331    HA   ILE  45           HA       ILE  45   4.686  -5.666  -5.666
  332    HB   ILE  45           HB       ILE  45   6.095  -7.735  -7.735
  333   1HG1  ILE  45          HG12      ILE  45   7.051  -8.464  -8.464
  334   2HG1  ILE  45          HG11      ILE  45   7.673  -6.813  -6.813
  335   1HG2  ILE  45          HG21      ILE  45   4.177  -7.319  -7.319
  336   2HG2  ILE  45          HG23      ILE  45   5.160  -8.761  -8.761
  337   3HG2  ILE  45          HG22      ILE  45   4.224  -8.578  -8.578
  338   1HD1  ILE  45          HD13      ILE  45   7.932  -8.305  -8.305
  339   2HD1  ILE  45          HD12      ILE  45   8.579  -9.263  -9.263
  340   3HD1  ILE  45          HD11      ILE  45   9.212  -7.647  -7.647
  341    H    SER  46           HN       SER  46   8.299  -5.693  -5.693
  342    HA   SER  46           HA       SER  46   8.505  -3.587  -3.587
  343   1HB   SER  46           HB2      SER  46   9.281  -5.045  -5.045
  344   2HB   SER  46           HB1      SER  46   7.624  -5.416  -5.416
  345    HG   SER  46           HG       SER  46   9.925  -6.913  -6.913
  346    H    TYR  47           HN       TYR  47   9.838  -4.806  -4.806
  347    HA   TYR  47           HA       TYR  47  12.600  -5.319  -5.319
  348   1HB   TYR  47           HB2      TYR  47  12.930  -5.788  -5.788
  349   2HB   TYR  47           HB1      TYR  47  11.255  -6.268  -6.268
  350    HD1  TYR  47           HD1      TYR  47   9.367  -5.101  -5.101
  351    HD2  TYR  47           HD2      TYR  47  13.345  -3.714  -3.714
  352    HE1  TYR  47           HE1      TYR  47   8.476  -3.588  -3.588
  353    HE2  TYR  47           HE2      TYR  47  12.445  -2.187  -2.187
  354    HH   TYR  47           HH       TYR  47   9.939  -2.395  -2.395
  355    H    GLY  48           HN       GLY  48  10.759  -2.482  -2.482
  356   1HA   GLY  48           HA2      GLY  48  11.789  -0.304  -0.304
  357   2HA   GLY  48           HA1      GLY  48  13.269  -0.858  -0.858
  358    H    ARG  49           HN       ARG  49   9.798  -0.622  -0.622
  359    HA   ARG  49           HA       ARG  49  10.289  -0.327  -0.327
  360   1HB   ARG  49           HB2      ARG  49   7.923  -0.165  -0.165
  361   2HB   ARG  49           HB1      ARG  49   8.329  -1.392  -1.392
  362   1HG   ARG  49           HG2      ARG  49   8.062   0.410   0.410
  363   2HG   ARG  49           HG1      ARG  49   7.445   1.471   1.471
  364   1HD   ARG  49           HD2      ARG  49   6.450  -1.221  -1.221
  365   2HD   ARG  49           HD1      ARG  49   5.599   0.268   0.268
  366    HE   ARG  49           HE       ARG  49   5.978  -0.639  -0.639
  367   1HH1  ARG  49          HH21      ARG  49   5.505   1.567   1.567
  368   2HH1  ARG  49          HH22      ARG  49   3.942   2.197   2.197
  369   1HH2  ARG  49          HH11      ARG  49   3.502   0.094   0.094
  370   2HH2  ARG  49          HH12      ARG  49   2.806   1.362   1.362
  371    H    LYS  50           HN       LYS  50   9.557   1.520   1.520
  372    HA   LYS  50           HA       LYS  50   9.555   4.154   4.154
  373   1HB   LYS  50           HB2      LYS  50  11.210   4.967   4.967
  374   2HB   LYS  50           HB1      LYS  50  11.853   3.554   3.554
  375   1HG   LYS  50           HG2      LYS  50  10.303   2.921   2.921
  376   2HG   LYS  50           HG1      LYS  50  11.741   3.892   3.892
  377   1HD   LYS  50           HD2      LYS  50  13.091   2.231   2.231
  378   2HD   LYS  50           HD1      LYS  50  11.640   1.272   1.272
  379   1HE   LYS  50           HE2      LYS  50  11.396   0.631   0.631
  380   2HE   LYS  50           HE1      LYS  50  12.391   1.963   1.963
  381   1HZ   LYS  50           HZ2      LYS  50  14.236   0.943   0.943
  382   2HZ   LYS  50           HZ1      LYS  50  13.249  -0.437  -0.437
  383   3HZ   LYS  50           HZ3      LYS  50  13.799   0.089   0.089
  384    H    LYS  51           HN       LYS  51   7.667   2.243   2.243
  385    HA   LYS  51           HA       LYS  51   5.860   2.492   2.492
  386   1HB   LYS  51           HB2      LYS  51   6.355   5.467   5.467
  387   2HB   LYS  51           HB1      LYS  51   4.829   4.598   4.598
  388   1HG   LYS  51           HG2      LYS  51   5.492   3.802   3.802
  389   2HG   LYS  51           HG1      LYS  51   6.771   5.013   5.013
  390   1HD   LYS  51           HD2      LYS  51   3.846   5.643   5.643
  391   2HD   LYS  51           HD1      LYS  51   4.806   5.947   5.947
  392   1HE   LYS  51           HE2      LYS  51   6.319   7.415   7.415
  393   2HE   LYS  51           HE1      LYS  51   5.374   7.095   7.095
  394   1HZ   LYS  51           HZ2      LYS  51   3.379   7.902   7.902
  395   2HZ   LYS  51           HZ1      LYS  51   4.282   8.253   8.253
  396   3HZ   LYS  51           HZ3      LYS  51   4.566   9.118   9.118
  397    H    ARG  52           HN       ARG  52   8.244   1.837   1.837
  398    HA   ARG  52           HA       ARG  52   9.611   1.981   1.981
  399   1HB   ARG  52           HB2      ARG  52   8.115   2.455   2.455
  400   2HB   ARG  52           HB1      ARG  52   7.693   1.012   1.012
  401   1HG   ARG  52           HG2      ARG  52   6.415   3.830   3.830
  402   2HG   ARG  52           HG1      ARG  52   5.983   2.682   2.682
  403   1HD   ARG  52           HD2      ARG  52   5.025   1.121   1.121
  404   2HD   ARG  52           HD1      ARG  52   5.955   1.581   1.581
  405    HE   ARG  52           HE       ARG  52   4.488   3.852   3.852
  406   1HH1  ARG  52          HH21      ARG  52   2.288   2.316   2.316
  407   2HH1  ARG  52          HH22      ARG  52   1.392   1.813   1.813
  408   1HH2  ARG  52          HH11      ARG  52   3.980   2.442   2.442
  409   2HH2  ARG  52          HH12      ARG  52   2.350   1.889   1.889
  410    H    ARG  53           HN       ARG  53   9.103   4.648   4.648
  411    HA   ARG  53           HA       ARG  53   9.395   6.974   6.974
  412   1HB   ARG  53           HB2      ARG  53  11.436   5.418   5.418
  413   2HB   ARG  53           HB1      ARG  53  11.598   6.142   6.142
  414   1HG   ARG  53           HG2      ARG  53  11.122   8.326   8.326
  415   2HG   ARG  53           HG1      ARG  53  11.956   7.235   7.235
  416   1HD   ARG  53           HD2      ARG  53  13.901   7.141   7.141
  417   2HD   ARG  53           HD1      ARG  53  13.031   8.039   8.039
  418    HE   ARG  53           HE       ARG  53  12.811   9.796   9.796
  419   1HH1  ARG  53          HH21      ARG  53  14.833   8.896   8.896
  420   2HH1  ARG  53          HH22      ARG  53  16.312   9.542   9.542
  421   1HH2  ARG  53          HH11      ARG  53  15.002  10.189  10.189
  422   2HH2  ARG  53          HH12      ARG  53  16.409  10.276  10.276
  423    H    GLN  54           HN       GLN  54   7.442   5.755   5.755
  424    HA   GLN  54           HA       GLN  54   6.315   6.030   6.030
  425   1HB   GLN  54           HB2      GLN  54   7.428   8.864   8.864
  426   2HB   GLN  54           HB1      GLN  54   6.057   8.027   8.027
  427   1HG   GLN  54           HG2      GLN  54   6.509   8.112   8.112
  428   2HG   GLN  54           HG1      GLN  54   5.345   9.205   9.205
  429   1HE2  GLN  54          HE22      GLN  54   3.138   6.379   6.379
  430   2HE2  GLN  54          HE21      GLN  54   3.723   7.798   7.798
  431    H    ARG  55           HN       ARG  55   8.419   4.645   4.645
  432    HA   ARG  55           HA       ARG  55  10.375   5.899   5.899
  433   1HB   ARG  55           HB2      ARG  55   9.239   3.107   3.107
  434   2HB   ARG  55           HB1      ARG  55  10.513   3.470   3.470
  435   1HG   ARG  55           HG2      ARG  55  10.844   4.395   4.395
  436   2HG   ARG  55           HG1      ARG  55  11.119   2.689   2.689
  437   1HD   ARG  55           HD2      ARG  55  12.786   3.528   3.528
  438   2HD   ARG  55           HD1      ARG  55  12.444   5.167   5.167
  439    HE   ARG  55           HE       ARG  55  13.065   3.416   3.416
  440   1HH1  ARG  55          HH11      ARG  55  14.085   6.227   6.227
  441   2HH1  ARG  55          HH12      ARG  55  15.776   5.968   5.968
  442   1HH2  ARG  55          HH21      ARG  55  15.410   2.598   2.598
  443   2HH2  ARG  55          HH22      ARG  55  16.529   3.907   3.907
  444    H    ARG  56           HN       ARG  56   7.021   5.556   5.556
  445    HA   ARG  56           HA       ARG  56   7.368   6.028   6.028
  446   1HB   ARG  56           HB2      ARG  56   5.579   4.467   4.467
  447   2HB   ARG  56           HB1      ARG  56   6.773   3.675   3.675
  448   1HG   ARG  56           HG2      ARG  56   4.445   5.097   5.097
  449   2HG   ARG  56           HG1      ARG  56   4.195   3.515   3.515
  450   1HD   ARG  56           HD2      ARG  56   6.571   3.239   3.239
  451   2HD   ARG  56           HD1      ARG  56   5.547   4.305   4.305
  452    HE   ARG  56           HE       ARG  56   4.101   2.025   2.025
  453   1HH1  ARG  56          HH21      ARG  56   3.115   2.967   2.967
  454   2HH1  ARG  56          HH22      ARG  56   3.826   1.918   1.918
  455   1HH2  ARG  56          HH11      ARG  56   6.313   0.766   0.766
  456   2HH2  ARG  56          HH12      ARG  56   5.644   0.667   0.667
  457    H    ARG  57           HN       ARG  57   6.903   7.914   7.914
  458    HA   ARG  57           HA       ARG  57   4.189   8.681   8.681
  459   1HB   ARG  57           HB2      ARG  57   6.283   9.442   9.442
  460   2HB   ARG  57           HB1      ARG  57   6.608  10.516  10.516
  461   1HG   ARG  57           HG2      ARG  57   5.432  11.827  11.827
  462   2HG   ARG  57           HG1      ARG  57   4.243  11.419  11.419
  463   1HD   ARG  57           HD2      ARG  57   3.418   9.548   9.548
  464   2HD   ARG  57           HD1      ARG  57   4.596   9.996   9.996
  465    HE   ARG  57           HE       ARG  57   3.180  11.799  11.799
  466   1HH1  ARG  57          HH21      ARG  57   2.992  13.781  13.781
  467   2HH1  ARG  57          HH22      ARG  57   1.553  13.586  13.586
  468   1HH2  ARG  57          HH11      ARG  57   1.157  10.233  10.233
  469   2HH2  ARG  57          HH12      ARG  57   0.511  11.574  11.574
  470    HA   PRO  58           HA       PRO  58   4.788  11.588  11.588
  471   1HB   PRO  58           HB2      PRO  58   6.758  10.968  10.968
  472   2HB   PRO  58           HB1      PRO  58   7.001  12.043  12.043
  473   1HG   PRO  58           HG2      PRO  58   7.746   9.176   9.176
  474   2HG   PRO  58           HG1      PRO  58   8.630  10.490  10.490
  475   1HD   PRO  58           HD2      PRO  58   7.200   8.576   8.576
  476   2HD   PRO  58           HD1      PRO  58   7.546  10.106  10.106
  477    H    SER  59           HN       SER  59   5.082   8.111   8.111
  478    HA   SER  59           HA       SER  59   3.899   7.963   7.963
  479   1HB   SER  59           HB2      SER  59   4.861   5.956   5.956
  480   2HB   SER  59           HB1      SER  59   4.112   5.472   5.472
  481    HG   SER  59           HG       SER  59   6.319   5.558   5.558
  482    H    GLN  60           HN       GLN  60   1.700   8.192   8.192
  483    HA   GLN  60           HA       GLN  60  -0.061   6.709   6.709
  484   1HB   GLN  60           HB2      GLN  60   0.096   9.711   9.711
  485   2HB   GLN  60           HB1      GLN  60  -1.430   8.896   8.896
  486   1HG   GLN  60           HG2      GLN  60  -0.507   7.800   7.800
  487   2HG   GLN  60           HG1      GLN  60   1.081   8.427   8.427
  488   1HE2  GLN  60          HE22      GLN  60   0.635  11.325  11.325
  489   2HE2  GLN  60          HE21      GLN  60   1.618   9.986   9.986
  490    H    GLY  61           HN       GLY  61   0.710   6.894   6.894
  491   1HA   GLY  61           HA2      GLY  61  -1.767   7.666   7.666
  492   2HA   GLY  61           HA1      GLY  61  -0.418   6.810   6.810
  493    H    GLY  62           HN       GLY  62  -3.402   6.532   6.532
  494   1HA   GLY  62           HA2      GLY  62  -4.875   4.725   4.725
  495   2HA   GLY  62           HA1      GLY  62  -4.024   3.928   3.928
  496    H    GLN  63           HN       GLN  63  -2.334   5.038   5.038
  497    HA   GLN  63           HA       GLN  63  -1.235   2.391   2.391
  498   1HB   GLN  63           HB2      GLN  63  -1.170   5.079   5.079
  499   2HB   GLN  63           HB1      GLN  63  -0.368   3.675   3.675
  500   1HG   GLN  63           HG2      GLN  63   0.002   4.884   4.884
  501   2HG   GLN  63           HG1      GLN  63   1.117   5.082   5.082
  502   1HE2  GLN  63          HE22      GLN  63   1.716   1.295   1.295
  503   2HE2  GLN  63          HE21      GLN  63   0.885   2.233   2.233
  504    H    THR  64           HN       THR  64  -3.952   4.224   4.224
  505    HA   THR  64           HA       THR  64  -5.446   3.775   3.775
  506    HB   THR  64           HB       THR  64  -4.690   0.996   0.996
  507    HG1  THR  64           HG1      THR  64  -6.744   2.766   2.766
  508   1HG2  THR  64          HG22      THR  64  -6.872   2.093   2.093
  509   2HG2  THR  64          HG21      THR  64  -7.202   0.677   0.677
  510   3HG2  THR  64          HG23      THR  64  -5.915   0.626   0.626
  511    H    HIS  65           HN       HIS  65  -2.969   4.401   4.401
  512    HA   HIS  65           HA       HIS  65  -1.755   2.372   2.372
  513   1HB   HIS  65           HB2      HIS  65  -1.629   5.330   5.330
  514   2HB   HIS  65           HB1      HIS  65  -0.904   4.562   4.562
  515    HD1  HIS  65           HD1      HIS  65   0.605   6.051   6.051
  516    HD2  HIS  65           HD2      HIS  65   0.100   1.914   1.914
  517    HE1  HIS  65           HE1      HIS  65   2.386   4.984   4.984
  518    H    GLN  66           HN       GLN  66  -1.547   3.133   3.133
  519    HA   GLN  66           HA       GLN  66  -4.325   3.491   3.491
  520   1HB   GLN  66           HB2      GLN  66  -2.108   1.622   1.622
  521   2HB   GLN  66           HB1      GLN  66  -3.511   1.808   1.808
  522   1HG   GLN  66           HG2      GLN  66  -4.630   0.346   0.346
  523   2HG   GLN  66           HG1      GLN  66  -4.555   1.456   1.456
  524   1HE2  GLN  66          HE22      GLN  66  -1.663  -0.285  -0.285
  525   2HE2  GLN  66          HE21      GLN  66  -2.242   1.285   1.285
  526    H    ASP  67           HN       ASP  67  -0.928   3.467   3.467
  527    HA   ASP  67           HA       ASP  67  -1.521   5.296   5.296
  528   1HB   ASP  67           HB2      ASP  67   0.078   3.526   3.526
  529   2HB   ASP  67           HB1      ASP  67   0.968   4.108   4.108
  530    HA   PRO  68           HA       PRO  68   1.106   8.300   8.300
  531   1HB   PRO  68           HB2      PRO  68   1.201   7.865   7.865
  532   2HB   PRO  68           HB1      PRO  68   2.404   7.212   7.212
  533   1HG   PRO  68           HG2      PRO  68   0.082   5.996   5.996
  534   2HG   PRO  68           HG1      PRO  68   1.642   5.218   5.218
  535   1HD   PRO  68           HD2      PRO  68  -0.551   4.738   4.738
  536   2HD   PRO  68           HD1      PRO  68   1.098   4.633   4.633
  537    H    ILE  69           HN       ILE  69  -1.764   6.964   6.964
  538    HA   ILE  69           HA       ILE  69  -2.705   9.805   9.805
  539    HB   ILE  69           HB       ILE  69  -3.101   9.567   9.567
  540   1HG1  ILE  69          HG12      ILE  69  -4.783   7.861   7.861
  541   2HG1  ILE  69          HG11      ILE  69  -3.381   7.289   7.289
  542   1HG2  ILE  69          HG21      ILE  69  -0.701   9.008   9.008
  543   2HG2  ILE  69          HG23      ILE  69  -1.129   7.295   7.295
  544   3HG2  ILE  69          HG22      ILE  69  -1.334   8.306   8.306
  545   1HD1  ILE  69          HD12      ILE  69  -2.603   6.118   6.118
  546   2HD1  ILE  69          HD11      ILE  69  -4.255   6.326   6.326
  547   3HD1  ILE  69          HD13      ILE  69  -3.947   5.410   5.410
  548    HA   PRO  70           HA       PRO  70  -5.940   6.831   6.831
  549   1HB   PRO  70           HB2      PRO  70  -5.844   7.865   7.865
  550   2HB   PRO  70           HB1      PRO  70  -4.947   6.404   6.404
  551   1HG   PRO  70           HG2      PRO  70  -4.100   9.280   9.280
  552   2HG   PRO  70           HG1      PRO  70  -3.227   7.816   7.816
  553   1HD   PRO  70           HD2      PRO  70  -2.593   9.152   9.152
  554   2HD   PRO  70           HD1      PRO  70  -2.550   7.357   7.357
  555    H    LYS  71           HN       LYS  71  -5.233  10.180  10.180
  556    HA   LYS  71           HA       LYS  71  -7.709  11.233  11.233
  557   1HB   LYS  71           HB2      LYS  71  -6.907  13.308  13.308
  558   2HB   LYS  71           HB1      LYS  71  -5.742  12.606  12.606
  559   1HG   LYS  71           HG2      LYS  71  -5.180  11.369  11.369
  560   2HG   LYS  71           HG1      LYS  71  -5.538  13.059  13.059
  561   1HD   LYS  71           HD2      LYS  71  -3.260  12.907  12.907
  562   2HD   LYS  71           HD1      LYS  71  -3.933  13.758  13.758
  563   1HE   LYS  71           HE2      LYS  71  -3.758  11.733  11.733
  564   2HE   LYS  71           HE1      LYS  71  -3.307  10.767  10.767
  565   1HZ   LYS  71           HZ2      LYS  71  -1.797  13.122  13.122
  566   2HZ   LYS  71           HZ1      LYS  71  -1.354  11.499  11.499
  567   3HZ   LYS  71           HZ3      LYS  71  -1.366  12.149  12.149
  568    H    GLN  72           HN       GLN  72  -6.616  10.324  10.324
  569    HA   GLN  72           HA       GLN  72  -9.408  10.084  10.084
  570   1HB   GLN  72           HB2      GLN  72  -8.544  11.726  11.726
  571   2HB   GLN  72           HB1      GLN  72  -9.431  12.295  12.295
  572   1HG   GLN  72           HG2      GLN  72  -7.663  13.734  13.734
  573   2HG   GLN  72           HG1      GLN  72  -7.041  12.628  12.628
  574   1HE2  GLN  72          HE22      GLN  72  -4.514  11.446  11.446
  575   2HE2  GLN  72          HE21      GLN  72  -5.349  11.004  11.004
  576    HA   PRO  73           HA       PRO  73  -7.667   7.186   7.186
  577   1HB   PRO  73           HB2      PRO  73  -8.826   7.762   7.762
  578   2HB   PRO  73           HB1      PRO  73  -9.698   6.938   6.938
  579   1HG   PRO  73           HG2      PRO  73  -9.693   9.871   9.871
  580   2HG   PRO  73           HG1      PRO  73 -11.089   8.821   8.821
  581   1HD   PRO  73           HD2      PRO  73 -10.082  10.482  10.482
  582   2HD   PRO  73           HD1      PRO  73 -10.608   8.857   8.857
  583    H    SER  74           HN       SER  74  -7.940  10.390  10.390
  584    HA   SER  74           HA       SER  74  -6.354  11.720  11.720
  585   1HB   SER  74           HB2      SER  74  -4.541  11.922  11.922
  586   2HB   SER  74           HB1      SER  74  -5.261  10.583  10.583
  587    HG   SER  74           HG       SER  74  -3.020  10.671  10.671
  588    H    SER  75           HN       SER  75  -6.158  11.464  11.464
  589    HA   SER  75           HA       SER  75  -5.232  10.692  10.692
  590   1HB   SER  75           HB2      SER  75  -3.439   9.971   9.971
  591   2HB   SER  75           HB1      SER  75  -3.873   8.398   8.398
  592    HG   SER  75           HG       SER  75  -3.228   8.962   8.962
  593    H    GLN  76           HN       GLN  76  -6.935   8.576   8.576
  594    HA   GLN  76           HA       GLN  76  -7.418   6.466   6.466
  595   1HB   GLN  76           HB2      GLN  76  -8.108   7.094   7.094
  596   2HB   GLN  76           HB1      GLN  76  -9.200   6.019   6.019
  597   1HG   GLN  76           HG2      GLN  76  -7.767   4.351   4.351
  598   2HG   GLN  76           HG1      GLN  76  -6.648   5.107   5.107
  599   1HE2  GLN  76          HE22      GLN  76  -4.751   6.692   6.692
  600   2HE2  GLN  76          HE21      GLN  76  -5.277   6.974   6.974
  601    HA   PRO  77           HA       PRO  77 -11.724   8.574   8.574
  602   1HB   PRO  77           HB2      PRO  77 -11.910  11.130  11.130
  603   2HB   PRO  77           HB1      PRO  77 -12.198   9.646   9.646
  604   1HG   PRO  77           HG2      PRO  77  -9.837  11.451  11.451
  605   2HG   PRO  77           HG1      PRO  77 -10.509  10.598  10.598
  606   1HD   PRO  77           HD2      PRO  77  -8.342   9.910   9.910
  607   2HD   PRO  77           HD1      PRO  77  -9.175   8.778   8.778
  608    H    ARG  78           HN       ARG  78  -8.763  10.295  10.295
  609    HA   ARG  78           HA       ARG  78  -9.967  11.331  11.331
  610   1HB   ARG  78           HB2      ARG  78  -8.936  13.525  13.525
  611   2HB   ARG  78           HB1      ARG  78 -10.082  13.099  13.099
  612   1HG   ARG  78           HG2      ARG  78  -8.011  12.211  12.211
  613   2HG   ARG  78           HG1      ARG  78  -7.043  12.976  12.976
  614   1HD   ARG  78           HD2      ARG  78  -9.126  14.524  14.524
  615   2HD   ARG  78           HD1      ARG  78  -7.435  14.386  14.386
  616    HE   ARG  78           HE       ARG  78  -7.815  15.160  15.160
  617   1HH1  ARG  78          HH11      ARG  78  -8.779  16.929  16.929
  618   2HH1  ARG  78          HH12      ARG  78  -7.559  18.154  18.154
  619   1HH2  ARG  78          HH21      ARG  78  -5.625  16.419  16.419
  620   2HH2  ARG  78          HH22      ARG  78  -5.771  17.865  17.865
  621    H    GLY  79           HN       GLY  79  -8.102   9.099   9.099
  622   1HA   GLY  79           HA2      GLY  79  -5.982   9.931   9.931
  623   2HA   GLY  79           HA1      GLY  79  -5.414   9.516   9.516
  624    H    ASP  80           HN       ASP  80  -5.144   7.388   7.388
  625    HA   ASP  80           HA       ASP  80  -5.407   5.387   5.387
  626   1HB   ASP  80           HB2      ASP  80  -3.607   5.632   5.632
  627   2HB   ASP  80           HB1      ASP  80  -4.827   4.987   4.987
  628    HA   PRO  81           HA       PRO  81  -9.588   4.370   4.370
  629   1HB   PRO  81           HB2      PRO  81  -9.999   2.406   2.406
  630   2HB   PRO  81           HB1      PRO  81 -10.078   4.136   4.136
  631   1HG   PRO  81           HG2      PRO  81  -7.854   2.203   2.203
  632   2HG   PRO  81           HG1      PRO  81  -8.461   3.511   3.511
  633   1HD   PRO  81           HD2      PRO  81  -6.211   3.705   3.705
  634   2HD   PRO  81           HD1      PRO  81  -7.204   5.104   5.104
  635    H    THR  82           HN       THR  82  -8.720   3.477   3.477
  636    HA   THR  82           HA       THR  82  -7.551   0.855   0.855
  637    HB   THR  82           HB       THR  82  -8.536   1.245   1.245
  638    HG1  THR  82           HG1      THR  82  -9.717   2.960   2.960
  639   1HG2  THR  82          HG23      THR  82  -6.146   1.439   1.439
  640   2HG2  THR  82          HG22      THR  82  -6.466   3.136   3.136
  641   3HG2  THR  82          HG21      THR  82  -6.572   2.548   2.548
  642    H    GLY  83           HN       GLY  83 -10.846   1.938   1.938
  643   1HA   GLY  83           HA2      GLY  83 -12.173  -0.423  -0.423
  644   2HA   GLY  83           HA1      GLY  83 -11.880  -0.535  -0.535
  645    HA   PRO  84           HA       PRO  84 -15.507   2.063   2.063
  646   1HB   PRO  84           HB2      PRO  84 -15.871   1.632   1.632
  647   2HB   PRO  84           HB1      PRO  84 -16.217   0.416   0.416
  648   1HG   PRO  84           HG2      PRO  84 -14.123   0.399   0.399
  649   2HG   PRO  84           HG1      PRO  84 -14.534  -0.871  -0.871
  650   1HD   PRO  84           HD2      PRO  84 -12.500   1.193   1.193
  651   2HD   PRO  84           HD1      PRO  84 -12.432  -0.365  -0.365
  652    H    LYS  85           HN       LYS  85 -12.483   3.031   3.031
  653    HA   LYS  85           HA       LYS  85 -13.252   5.200   5.200
  654   1HB   LYS  85           HB2      LYS  85 -10.637   4.500   4.500
  655   2HB   LYS  85           HB1      LYS  85 -10.825   5.616   5.616
  656   1HG   LYS  85           HG2      LYS  85 -11.380   2.620   2.620
  657   2HG   LYS  85           HG1      LYS  85 -10.057   3.452   3.452
  658   1HD   LYS  85           HD2      LYS  85 -12.996   3.929   3.929
  659   2HD   LYS  85           HD1      LYS  85 -11.931   2.899   2.899
  660   1HE   LYS  85           HE2      LYS  85 -10.617   4.711   4.711
  661   2HE   LYS  85           HE1      LYS  85 -11.180   5.794   5.794
  662   1HZ   LYS  85           HZ3      LYS  85 -13.430   5.613   5.613
  663   2HZ   LYS  85           HZ2      LYS  85 -12.858   4.652   4.652
  664   3HZ   LYS  85           HZ1      LYS  85 -12.363   6.271   6.271
  665    H    GLU  86           HN       GLU  86 -13.744   4.881   4.881
  666    HA   GLU  86           HA       GLU  86 -12.546   7.309   7.309
  667   1HB   GLU  86           HB2      GLU  86 -14.734   5.423   5.423
  668   2HB   GLU  86           HB1      GLU  86 -14.072   6.723   6.723
  669   1HG   GLU  86           HG2      GLU  86 -11.811   5.704   5.704
  670   2HG   GLU  86           HG1      GLU  86 -12.597   4.358   4.358

  Start of MODEL    3
    1   1H    LEU   1           HT1      LEU   1  16.365  -9.259  -9.259
    2   2H    LEU   1           HT3      LEU   1  15.069 -10.336 -10.336
    3   3H    LEU   1           HT2      LEU   1  15.365  -9.638  -9.638
    4    HA   LEU   1           HA       LEU   1  13.579  -8.394  -8.394
    5   1HB   LEU   1           HB2      LEU   1  13.465  -7.715  -7.715
    6   2HB   LEU   1           HB1      LEU   1  13.747  -9.458  -9.458
    7    HG   LEU   1           HG       LEU   1  16.322  -8.439  -8.439
    8   1HD1  LEU   1          HD12      LEU   1  14.683  -6.341  -6.341
    9   2HD1  LEU   1          HD11      LEU   1  15.531  -7.020  -7.020
   10   3HD1  LEU   1          HD13      LEU   1  16.444  -6.437  -6.437
   11   1HD2  LEU   1          HD23      LEU   1  14.949 -10.267 -10.267
   12   2HD2  LEU   1          HD22      LEU   1  16.544  -9.697  -9.697
   13   3HD2  LEU   1          HD21      LEU   1  15.098  -9.026  -9.026
   14    H    ASP   2           HN       ASP   2  13.466  -6.015  -6.015
   15    HA   ASP   2           HA       ASP   2  14.184  -3.854  -3.854
   16   1HB   ASP   2           HB2      ASP   2  15.362  -4.719  -4.719
   17   2HB   ASP   2           HB1      ASP   2  16.801  -4.488  -4.488
   18    HA   PRO   3           HA       PRO   3  17.124  -5.292  -5.292
   19   1HB   PRO   3           HB2      PRO   3  15.376  -5.862  -5.862
   20   2HB   PRO   3           HB1      PRO   3  15.892  -7.053  -7.053
   21   1HG   PRO   3           HG2      PRO   3  13.304  -5.698  -5.698
   22   2HG   PRO   3           HG1      PRO   3  13.710  -7.203  -7.203
   23   1HD   PRO   3           HD2      PRO   3  13.377  -4.558  -4.558
   24   2HD   PRO   3           HD1      PRO   3  13.592  -6.089  -6.089
   25    H    VAL   4           HN       VAL   4  14.323  -4.108  -4.108
   26    HA   VAL   4           HA       VAL   4  15.710  -1.705  -1.705
   27    HB   VAL   4           HB       VAL   4  12.935  -2.921  -2.921
   28   1HG1  VAL   4          HG11      VAL   4  13.754  -0.282  -0.282
   29   2HG1  VAL   4          HG13      VAL   4  12.287  -1.186  -1.186
   30   3HG1  VAL   4          HG12      VAL   4  12.513  -0.501  -0.501
   31   1HG2  VAL   4          HG21      VAL   4  15.350  -2.840  -2.840
   32   2HG2  VAL   4          HG23      VAL   4  14.033  -4.013  -4.013
   33   3HG2  VAL   4          HG22      VAL   4  13.856  -2.529  -2.529
   34    H    ASP   5           HN       ASP   5  12.850  -2.356  -2.356
   35    HA   ASP   5           HA       ASP   5  13.535  -0.348  -0.348
   36   1HB   ASP   5           HB2      ASP   5  11.677   0.213   0.213
   37   2HB   ASP   5           HB1      ASP   5  10.912   0.401   0.401
   38    HA   PRO   6           HA       PRO   6  10.200  -3.270  -3.270
   39   1HB   PRO   6           HB2      PRO   6   7.987  -3.779  -3.779
   40   2HB   PRO   6           HB1      PRO   6   8.184  -2.272  -2.272
   41   1HG   PRO   6           HG2      PRO   6   8.247  -2.639  -2.639
   42   2HG   PRO   6           HG1      PRO   6   8.112  -1.142  -1.142
   43   1HD   PRO   6           HD2      PRO   6  10.375  -2.432  -2.432
   44   2HD   PRO   6           HD1      PRO   6  10.122  -0.741  -0.741
   45    H    ASN   7           HN       ASN   7   8.939  -5.624  -5.624
   46    HA   ASN   7           HA       ASN   7  11.161  -7.113  -7.113
   47   1HB   ASN   7           HB2      ASN   7   8.291  -7.792  -7.792
   48   2HB   ASN   7           HB1      ASN   7   9.463  -8.994  -8.994
   49   1HD2  ASN   7          HD22      ASN   7   9.503  -8.087  -8.087
   50   2HD2  ASN   7          HD21      ASN   7   8.198  -7.763  -7.763
   51    H    ILE   8           HN       ILE   8   7.830  -6.479  -6.479
   52    HA   ILE   8           HA       ILE   8   8.867  -6.585  -6.585
   53    HB   ILE   8           HB       ILE   8   7.020  -7.983  -7.983
   54   1HG1  ILE   8          HG12      ILE   8   5.318  -6.901  -6.901
   55   2HG1  ILE   8          HG11      ILE   8   5.207  -8.641  -8.641
   56   1HG2  ILE   8          HG22      ILE   8   8.831  -8.827  -8.827
   57   2HG2  ILE   8          HG21      ILE   8   7.332  -9.749  -9.749
   58   3HG2  ILE   8          HG23      ILE   8   8.296  -9.701  -9.701
   59   1HD1  ILE   8          HD12      ILE   8   6.888  -8.510  -8.510
   60   2HD1  ILE   8          HD11      ILE   8   6.072  -6.960  -6.960
   61   3HD1  ILE   8          HD13      ILE   8   5.137  -8.455  -8.455
   62    H    GLU   9           HN       GLU   9   7.740  -4.522  -4.522
   63    HA   GLU   9           HA       GLU   9   6.469  -2.540  -2.540
   64   1HB   GLU   9           HB2      GLU   9   7.068  -3.145  -3.145
   65   2HB   GLU   9           HB1      GLU   9   6.076  -1.768  -1.768
   66   1HG   GLU   9           HG2      GLU   9   7.840  -0.955  -0.955
   67   2HG   GLU   9           HG1      GLU   9   8.881  -2.299  -2.299
   68    HA   PRO  10           HA       PRO  10   2.625  -4.974  -4.974
   69   1HB   PRO  10           HB2      PRO  10   1.983  -5.806  -5.806
   70   2HB   PRO  10           HB1      PRO  10   3.004  -6.698  -6.698
   71   1HG   PRO  10           HG2      PRO  10   3.649  -5.024  -5.024
   72   2HG   PRO  10           HG1      PRO  10   4.535  -6.527  -6.527
   73   1HD   PRO  10           HD2      PRO  10   5.288  -3.852  -3.852
   74   2HD   PRO  10           HD1      PRO  10   5.929  -5.220  -5.220
   75    H    TRP  11           HN       TRP  11   3.050  -2.111  -2.111
   76    HA   TRP  11           HA       TRP  11   0.805  -1.589  -1.589
   77   1HB   TRP  11           HB2      TRP  11   2.931   0.262   0.262
   78   2HB   TRP  11           HB1      TRP  11   1.728   0.642   0.642
   79    HD1  TRP  11           HD1      TRP  11   4.618  -1.841  -1.841
   80    HE1  TRP  11           HE1      TRP  11   5.539  -2.158  -2.158
   81    HE3  TRP  11           HE3      TRP  11   1.344   1.076   1.076
   82    HZ2  TRP  11           HZ2      TRP  11   4.953  -1.262  -1.262
   83    HZ3  TRP  11           HZ3      TRP  11   1.549   1.321   1.321
   84    HH2  TRP  11           HH2      TRP  11   3.344   0.161   0.161
   85    H    ASN  12           HN       ASN  12  -0.082  -2.644  -2.644
   86    HA   ASN  12           HA       ASN  12  -1.259  -0.281  -0.281
   87   1HB   ASN  12           HB2      ASN  12  -1.052  -2.081  -2.081
   88   2HB   ASN  12           HB1      ASN  12   0.141  -0.833  -0.833
   89   1HD2  ASN  12          HD22      ASN  12   2.503  -3.158  -3.158
   90   2HD2  ASN  12          HD21      ASN  12   1.946  -1.565  -1.565
   91    H    HIS  13           HN       HIS  13  -3.371  -0.403  -0.403
   92    HA   HIS  13           HA       HIS  13  -4.670  -3.053  -3.053
   93   1HB   HIS  13           HB2      HIS  13  -5.183  -0.190  -0.190
   94   2HB   HIS  13           HB1      HIS  13  -6.511  -1.350  -1.350
   95    HD1  HIS  13           HD1      HIS  13  -6.080  -0.547  -0.547
   96    HD2  HIS  13           HD2      HIS  13  -3.271  -3.105  -3.105
   97    HE1  HIS  13           HE1      HIS  13  -4.826  -1.628  -1.628
   98    HA   PRO  14           HA       PRO  14  -6.814  -2.714  -2.714
   99   1HB   PRO  14           HB2      PRO  14  -9.007  -4.298  -4.298
  100   2HB   PRO  14           HB1      PRO  14  -7.354  -4.891  -4.891
  101   1HG   PRO  14           HG2      PRO  14  -8.842  -4.448  -4.448
  102   2HG   PRO  14           HG1      PRO  14  -7.786  -5.795  -5.795
  103   1HD   PRO  14           HD2      PRO  14  -6.989  -3.623  -3.623
  104   2HD   PRO  14           HD1      PRO  14  -5.838  -4.674  -4.674
  105    H    GLY  15           HN       GLY  15  -8.025  -1.561  -1.561
  106   1HA   GLY  15           HA2      GLY  15  -9.550   0.130   0.130
  107   2HA   GLY  15           HA1      GLY  15  -9.670   0.481   0.481
  108    H    SER  16           HN       SER  16 -10.220  -2.796  -2.796
  109    HA   SER  16           HA       SER  16 -13.178  -2.428  -2.428
  110   1HB   SER  16           HB2      SER  16 -11.434  -3.713  -3.713
  111   2HB   SER  16           HB1      SER  16 -12.979  -4.514  -4.514
  112    HG   SER  16           HG       SER  16 -13.986  -3.161  -3.161
  113    H    GLN  17           HN       GLN  17 -10.590  -3.628  -3.628
  114    HA   GLN  17           HA       GLN  17 -12.106  -5.947  -5.947
  115   1HB   GLN  17           HB2      GLN  17  -9.288  -5.900  -5.900
  116   2HB   GLN  17           HB1      GLN  17  -9.828  -6.922  -6.922
  117   1HG   GLN  17           HG2      GLN  17 -10.697  -8.363  -8.363
  118   2HG   GLN  17           HG1      GLN  17 -11.849  -7.116  -7.116
  119   1HE2  GLN  17          HE22      GLN  17 -10.156  -6.314  -6.314
  120   2HE2  GLN  17          HE21      GLN  17 -11.384  -5.846  -5.846
  121    HA   PRO  18           HA       PRO  18  -9.147  -4.486  -4.486
  122   1HB   PRO  18           HB2      PRO  18  -7.340  -2.495  -2.495
  123   2HB   PRO  18           HB1      PRO  18  -6.965  -4.229  -4.229
  124   1HG   PRO  18           HG2      PRO  18  -7.762  -2.205  -2.205
  125   2HG   PRO  18           HG1      PRO  18  -6.549  -3.502  -3.502
  126   1HD   PRO  18           HD2      PRO  18  -8.905  -3.674  -3.674
  127   2HD   PRO  18           HD1      PRO  18  -8.058  -5.100  -5.100
  128    H    LYS  19           HN       LYS  19 -10.206  -2.128  -2.128
  129    HA   LYS  19           HA       LYS  19 -10.880  -0.083  -0.083
  130   1HB   LYS  19           HB2      LYS  19 -11.284  -0.306  -0.306
  131   2HB   LYS  19           HB1      LYS  19 -11.542   1.193   1.193
  132   1HG   LYS  19           HG2      LYS  19  -8.961  -0.337  -0.337
  133   2HG   LYS  19           HG1      LYS  19  -9.260   1.035   1.035
  134   1HD   LYS  19           HD2      LYS  19  -9.740   2.437   2.437
  135   2HD   LYS  19           HD1      LYS  19  -9.133   1.095   1.095
  136   1HE   LYS  19           HE2      LYS  19  -6.967   1.245   1.245
  137   2HE   LYS  19           HE1      LYS  19  -7.600   2.765   2.765
  138   1HZ   LYS  19           HZ3      LYS  19  -7.955   3.540   3.540
  139   2HZ   LYS  19           HZ2      LYS  19  -7.285   2.098   2.098
  140   3HZ   LYS  19           HZ1      LYS  19  -6.319   3.184   3.184
  141    H    THR  20           HN       THR  20 -12.534  -2.230  -2.230
  142    HA   THR  20           HA       THR  20 -15.216  -1.470  -1.470
  143    HB   THR  20           HB       THR  20 -14.093  -3.786  -3.786
  144    HG1  THR  20           HG1      THR  20 -14.922  -2.492  -2.492
  145   1HG2  THR  20          HG23      THR  20 -16.873  -3.023  -3.023
  146   2HG2  THR  20          HG22      THR  20 -16.618  -3.608  -3.608
  147   3HG2  THR  20          HG21      THR  20 -16.182  -4.623  -4.623
  148    H    ALA  21           HN       ALA  21 -13.065  -4.239  -4.239
  149    HA   ALA  21           HA       ALA  21 -12.910  -5.830  -5.830
  150   1HB   ALA  21           HB1      ALA  21 -14.656  -3.794  -3.794
  151   2HB   ALA  21           HB3      ALA  21 -13.803  -5.119  -5.119
  152   3HB   ALA  21           HB2      ALA  21 -12.893  -3.840  -3.840
  153    H    CYS  22           HN       CYS  22 -16.033  -5.037  -5.037
  154    HA   CYS  22           HA       CYS  22 -17.715  -6.866  -6.866
  155   1HB   CYS  22           HB2      CYS  22 -18.258  -5.092  -5.092
  156   2HB   CYS  22           HB1      CYS  22 -17.752  -6.293  -6.293
  157    HG   CYS  22           HG       CYS  22 -20.236  -6.792  -6.792
  158    H    ASN  23           HN       ASN  23 -15.180  -7.319  -7.319
  159    HA   ASN  23           HA       ASN  23 -15.885 -10.076 -10.076
  160   1HB   ASN  23           HB2      ASN  23 -14.053  -9.911  -9.911
  161   2HB   ASN  23           HB1      ASN  23 -14.479  -8.215  -8.215
  162   1HD2  ASN  23          HD22      ASN  23 -11.599  -7.456  -7.456
  163   2HD2  ASN  23          HD21      ASN  23 -13.215  -6.989  -6.989
  164    H    ARG  24           HN       ARG  24 -13.860  -8.571  -8.571
  165    HA   ARG  24           HA       ARG  24 -13.501 -11.243 -11.243
  166   1HB   ARG  24           HB2      ARG  24 -10.966 -10.734 -10.734
  167   2HB   ARG  24           HB1      ARG  24 -11.559 -11.005 -11.005
  168   1HG   ARG  24           HG2      ARG  24 -11.753  -8.361  -8.361
  169   2HG   ARG  24           HG1      ARG  24 -10.653  -8.506  -8.506
  170   1HD   ARG  24           HD2      ARG  24  -9.844 -10.164 -10.164
  171   2HD   ARG  24           HD1      ARG  24  -9.590  -8.399  -8.399
  172    HE   ARG  24           HE       ARG  24  -8.822  -9.010  -9.010
  173   1HH1  ARG  24          HH21      ARG  24  -7.736 -11.553 -11.553
  174   2HH1  ARG  24          HH22      ARG  24  -6.185 -11.245 -11.245
  175   1HH2  ARG  24          HH11      ARG  24  -6.888  -7.927  -7.927
  176   2HH2  ARG  24          HH12      ARG  24  -5.703  -9.189  -9.189
  177    H    CYS  25           HN       CYS  25 -12.139  -7.959  -7.959
  178    HA   CYS  25           HA       CYS  25 -12.088  -6.712  -6.712
  179   1HB   CYS  25           HB2      CYS  25 -14.131  -6.140  -6.140
  180   2HB   CYS  25           HB1      CYS  25 -14.311  -6.941  -6.941
  181    HG   CYS  25           HG       CYS  25 -15.858  -8.646  -8.646
  182    H    HIS  26           HN       HIS  26 -10.559  -8.781  -8.781
  183    HA   HIS  26           HA       HIS  26 -10.887  -9.183  -9.183
  184   1HB   HIS  26           HB2      HIS  26 -10.864 -11.816 -11.816
  185   2HB   HIS  26           HB1      HIS  26 -12.387 -10.927 -10.927
  186    HD1  HIS  26           HD1      HIS  26 -13.106 -13.192 -13.192
  187    HD2  HIS  26           HD2      HIS  26 -10.878 -10.322 -10.322
  188    HE1  HIS  26           HE1      HIS  26 -13.384 -13.661 -13.661
  189    H    CYS  27           HN       CYS  27  -9.289 -10.478 -10.478
  190    HA   CYS  27           HA       CYS  27  -6.783 -10.918 -10.918
  191   1HB   CYS  27           HB2      CYS  27  -7.851 -12.511 -12.511
  192   2HB   CYS  27           HB1      CYS  27  -7.393 -11.348 -11.348
  193    HG   CYS  27           HG       CYS  27  -5.363 -12.950 -12.950
  194    H    LYS  28           HN       LYS  28  -8.283  -8.472  -8.472
  195    HA   LYS  28           HA       LYS  28  -5.957  -7.306  -7.306
  196   1HB   LYS  28           HB2      LYS  28  -8.030  -6.713  -6.713
  197   2HB   LYS  28           HB1      LYS  28  -8.733  -6.570  -6.570
  198   1HG   LYS  28           HG2      LYS  28  -6.643  -4.590  -4.590
  199   2HG   LYS  28           HG1      LYS  28  -7.643  -4.520  -4.520
  200   1HD   LYS  28           HD2      LYS  28  -8.540  -4.266  -4.266
  201   2HD   LYS  28           HD1      LYS  28  -8.526  -3.014  -3.014
  202   1HE   LYS  28           HE2      LYS  28 -10.219  -4.268  -4.268
  203   2HE   LYS  28           HE1      LYS  28 -10.255  -5.521  -5.521
  204   1HZ   LYS  28           HZ2      LYS  28 -10.619  -3.607  -3.607
  205   2HZ   LYS  28           HZ1      LYS  28 -11.018  -2.679  -2.679
  206   3HZ   LYS  28           HZ3      LYS  28 -11.931  -4.056  -4.056
  207    H    LYS  29           HN       LYS  29  -7.888  -6.111  -6.111
  208    HA   LYS  29           HA       LYS  29  -5.704  -4.385  -4.385
  209   1HB   LYS  29           HB2      LYS  29  -7.295  -3.586  -3.586
  210   2HB   LYS  29           HB1      LYS  29  -8.232  -3.930  -3.930
  211   1HG   LYS  29           HG2      LYS  29  -7.956  -6.040  -6.040
  212   2HG   LYS  29           HG1      LYS  29  -9.082  -4.718  -4.718
  213   1HD   LYS  29           HD2      LYS  29  -9.602  -5.546  -5.546
  214   2HD   LYS  29           HD1      LYS  29  -9.070  -7.043  -7.043
  215   1HE   LYS  29           HE2      LYS  29 -11.447  -6.909  -6.909
  216   2HE   LYS  29           HE1      LYS  29 -10.755  -6.509  -6.509
  217   1HZ   LYS  29           HZ3      LYS  29 -11.333  -4.463  -4.463
  218   2HZ   LYS  29           HZ2      LYS  29 -12.494  -4.896  -4.896
  219   3HZ   LYS  29           HZ1      LYS  29 -11.024  -4.200  -4.200
  220    H    CYS  30           HN       CYS  30  -6.934  -7.575  -7.575
  221    HA   CYS  30           HA       CYS  30  -6.457  -9.048  -9.048
  222   1HB   CYS  30           HB2      CYS  30  -4.536  -8.687  -8.687
  223   2HB   CYS  30           HB1      CYS  30  -3.605  -8.842  -8.842
  224    HG   CYS  30           HG       CYS  30  -4.062 -11.240 -11.240
  225    H    CYS  31           HN       CYS  31  -6.556  -6.311  -6.311
  226    HA   CYS  31           HA       CYS  31  -5.834  -5.063  -5.063
  227   1HB   CYS  31           HB2      CYS  31  -6.837  -7.361  -7.361
  228   2HB   CYS  31           HB1      CYS  31  -5.190  -7.763  -7.763
  229    HG   CYS  31           HG       CYS  31  -5.584  -6.411  -6.411
  230    H    TYR  32           HN       TYR  32  -3.664  -4.905  -4.905
  231    HA   TYR  32           HA       TYR  32  -1.430  -4.889  -4.889
  232   1HB   TYR  32           HB2      TYR  32   0.035  -5.905  -5.905
  233   2HB   TYR  32           HB1      TYR  32  -1.107  -7.154  -7.154
  234    HD1  TYR  32           HD1      TYR  32  -3.334  -6.686  -6.686
  235    HD2  TYR  32           HD2      TYR  32   0.859  -6.140  -6.140
  236    HE1  TYR  32           HE1      TYR  32  -3.710  -6.937  -6.937
  237    HE2  TYR  32           HE2      TYR  32   0.481  -6.388  -6.388
  238    HH   TYR  32           HH       TYR  32  -2.018  -5.949  -5.949
  239    H    HIS  33           HN       HIS  33  -3.000  -2.823  -2.823
  240    HA   HIS  33           HA       HIS  33  -2.740  -0.784  -0.784
  241   1HB   HIS  33           HB2      HIS  33   0.138  -1.566  -1.566
  242   2HB   HIS  33           HB1      HIS  33  -0.330   0.030   0.030
  243    HD1  HIS  33           HD1      HIS  33  -1.730   1.506   1.506
  244    HD2  HIS  33           HD2      HIS  33  -0.462  -2.136  -2.136
  245    HE1  HIS  33           HE1      HIS  33  -2.082   1.650   1.650
  246    H    CYS  34           HN       CYS  34  -2.483  -3.545  -3.545
  247    HA   CYS  34           HA       CYS  34  -2.216  -4.279  -4.279
  248   1HB   CYS  34           HB2      CYS  34  -3.599  -2.078  -2.078
  249   2HB   CYS  34           HB1      CYS  34  -2.087  -1.385  -1.385
  250    HG   CYS  34           HG       CYS  34  -2.843  -2.323  -2.323
  251    H    GLN  35           HN       GLN  35  -0.669  -2.045  -2.045
  252    HA   GLN  35           HA       GLN  35   1.547  -1.515  -1.515
  253   1HB   GLN  35           HB2      GLN  35   2.417  -3.077  -3.077
  254   2HB   GLN  35           HB1      GLN  35   3.284  -1.870  -1.870
  255   1HG   GLN  35           HG2      GLN  35   1.958  -0.023  -0.023
  256   2HG   GLN  35           HG1      GLN  35   0.723  -1.228  -1.228
  257   1HE2  GLN  35          HE22      GLN  35   1.827  -2.116  -2.116
  258   2HE2  GLN  35          HE21      GLN  35   0.859  -2.567  -2.567
  259    H    VAL  36           HN       VAL  36   0.468  -4.776  -4.776
  260    HA   VAL  36           HA       VAL  36   1.081  -6.808  -6.808
  261    HB   VAL  36           HB       VAL  36   1.780  -6.467  -6.467
  262   1HG1  VAL  36          HG12      VAL  36  -0.605  -5.002  -5.002
  263   2HG1  VAL  36          HG11      VAL  36  -0.405  -5.488  -5.488
  264   3HG1  VAL  36          HG13      VAL  36  -0.507  -6.712  -6.712
  265   1HG2  VAL  36          HG21      VAL  36   2.929  -4.332  -4.332
  266   2HG2  VAL  36          HG23      VAL  36   1.689  -4.614  -4.614
  267   3HG2  VAL  36          HG22      VAL  36   1.342  -3.578  -3.578
  268    H    CYS  37           HN       CYS  37   3.185  -7.580  -7.580
  269    HA   CYS  37           HA       CYS  37   5.427  -7.584  -7.584
  270   1HB   CYS  37           HB2      CYS  37   6.391  -9.138  -9.138
  271   2HB   CYS  37           HB1      CYS  37   4.807  -9.637  -9.637
  272    HG   CYS  37           HG       CYS  37   3.913  -9.370  -9.370
  273    H    PHE  38           HN       PHE  38   5.915  -5.265  -5.265
  274    HA   PHE  38           HA       PHE  38   6.967  -4.281  -4.281
  275   1HB   PHE  38           HB2      PHE  38   6.916  -2.048  -2.048
  276   2HB   PHE  38           HB1      PHE  38   5.394  -3.055  -3.055
  277    HD1  PHE  38           HD1      PHE  38   8.352  -1.904  -1.904
  278    HD2  PHE  38           HD2      PHE  38   4.526  -3.815  -3.815
  279    HE1  PHE  38           HE1      PHE  38   8.345  -1.747  -1.747
  280    HE2  PHE  38           HE2      PHE  38   4.513  -3.659  -3.659
  281    HZ   PHE  38           HZ       PHE  38   6.425  -2.623  -2.623
  282    H    ILE  39           HN       ILE  39   8.800  -2.422  -2.422
  283    HA   ILE  39           HA       ILE  39  11.259  -3.670  -3.670
  284    HB   ILE  39           HB       ILE  39  12.223  -1.855  -1.855
  285   1HG1  ILE  39          HG12      ILE  39   9.797  -0.697  -0.697
  286   2HG1  ILE  39          HG11      ILE  39  10.004  -2.260  -2.260
  287   1HG2  ILE  39          HG22      ILE  39  10.220  -1.505  -1.505
  288   2HG2  ILE  39          HG21      ILE  39   9.977  -0.238  -0.238
  289   3HG2  ILE  39          HG23      ILE  39  11.540  -0.408  -0.408
  290   1HD1  ILE  39          HD12      ILE  39  12.404  -1.642  -1.642
  291   2HD1  ILE  39          HD11      ILE  39  12.043  -0.011  -0.011
  292   3HD1  ILE  39          HD13      ILE  39  11.204  -0.662  -0.662
  293    H    THR  40           HN       THR  40   9.299  -4.055  -4.055
  294    HA   THR  40           HA       THR  40  11.447  -5.891  -5.891
  295    HB   THR  40           HB       THR  40   9.636  -3.998  -3.998
  296    HG1  THR  40           HG1      THR  40  11.297  -2.701  -2.701
  297   1HG2  THR  40          HG22      THR  40  11.352  -6.278  -6.278
  298   2HG2  THR  40          HG21      THR  40  11.541  -4.815  -4.815
  299   3HG2  THR  40          HG23      THR  40   9.956  -5.577  -5.577
  300    H    LYS  41           HN       LYS  41  10.706  -7.766  -7.766
  301    HA   LYS  41           HA       LYS  41   8.116  -8.790  -8.790
  302   1HB   LYS  41           HB2      LYS  41  10.363  -9.745  -9.745
  303   2HB   LYS  41           HB1      LYS  41   8.900 -10.707 -10.707
  304   1HG   LYS  41           HG2      LYS  41  10.387  -9.565  -9.565
  305   2HG   LYS  41           HG1      LYS  41  11.024 -11.016 -11.016
  306   1HD   LYS  41           HD2      LYS  41   9.593 -11.902 -11.902
  307   2HD   LYS  41           HD1      LYS  41   8.564 -11.912 -11.912
  308   1HE   LYS  41           HE2      LYS  41   8.319  -9.298  -9.298
  309   2HE   LYS  41           HE1      LYS  41   8.084 -10.594 -10.594
  310   1HZ   LYS  41           HZ2      LYS  41   6.893 -10.677 -10.677
  311   2HZ   LYS  41           HZ1      LYS  41   6.135  -9.840  -9.840
  312   3HZ   LYS  41           HZ3      LYS  41   6.403 -11.509 -11.509
  313    H    GLY  42           HN       GLY  42   6.566  -9.708  -9.708
  314   1HA   GLY  42           HA2      GLY  42   5.447  -9.549  -9.549
  315   2HA   GLY  42           HA1      GLY  42   6.493  -8.199  -8.199
  316    H    LEU  43           HN       LEU  43   5.890  -7.116  -7.116
  317    HA   LEU  43           HA       LEU  43   4.300  -5.766  -5.766
  318   1HB   LEU  43           HB2      LEU  43   2.359  -7.400  -7.400
  319   2HB   LEU  43           HB1      LEU  43   2.004  -6.276  -6.276
  320    HG   LEU  43           HG       LEU  43   3.143  -7.540  -7.540
  321   1HD1  LEU  43          HD11      LEU  43   4.099  -9.390  -9.390
  322   2HD1  LEU  43          HD13      LEU  43   3.982  -9.846  -9.846
  323   3HD1  LEU  43          HD12      LEU  43   5.039  -8.520  -8.520
  324   1HD2  LEU  43          HD22      LEU  43   1.353  -8.917  -8.917
  325   2HD2  LEU  43          HD21      LEU  43   0.893  -8.377  -8.377
  326   3HD2  LEU  43          HD23      LEU  43   1.848  -9.846  -9.846
  327    H    GLY  44           HN       GLY  44   5.666  -4.593  -4.593
  328   1HA   GLY  44           HA2      GLY  44   5.514  -2.593  -2.593
  329   2HA   GLY  44           HA1      GLY  44   3.892  -2.396  -2.396
  330    H    ILE  45           HN       ILE  45   4.202  -5.443  -5.443
  331    HA   ILE  45           HA       ILE  45   2.340  -4.901  -4.901
  332    HB   ILE  45           HB       ILE  45   3.418  -7.005  -7.005
  333   1HG1  ILE  45          HG12      ILE  45   4.740  -7.992  -7.992
  334   2HG1  ILE  45          HG11      ILE  45   5.434  -6.363  -6.363
  335   1HG2  ILE  45          HG21      ILE  45   2.197  -6.759  -6.759
  336   2HG2  ILE  45          HG23      ILE  45   2.693  -8.347  -8.347
  337   3HG2  ILE  45          HG22      ILE  45   1.500  -7.410  -7.410
  338   1HD1  ILE  45          HD13      ILE  45   5.473  -7.213  -7.213
  339   2HD1  ILE  45          HD12      ILE  45   5.482  -8.785  -8.785
  340   3HD1  ILE  45          HD11      ILE  45   6.764  -7.620  -7.620
  341    H    SER  46           HN       SER  46   5.921  -5.237  -5.237
  342    HA   SER  46           HA       SER  46   6.103  -2.974  -2.974
  343   1HB   SER  46           HB2      SER  46   4.660  -4.895  -4.895
  344   2HB   SER  46           HB1      SER  46   6.253  -5.554  -5.554
  345    HG   SER  46           HG       SER  46   6.014  -4.235  -4.235
  346    H    TYR  47           HN       TYR  47   7.738  -4.362  -4.362
  347    HA   TYR  47           HA       TYR  47  10.063  -5.524  -5.524
  348   1HB   TYR  47           HB2      TYR  47  10.949  -5.610  -5.610
  349   2HB   TYR  47           HB1      TYR  47   9.267  -6.135  -6.135
  350    HD1  TYR  47           HD1      TYR  47  11.488  -3.234  -3.234
  351    HD2  TYR  47           HD2      TYR  47   7.590  -4.961  -4.961
  352    HE1  TYR  47           HE1      TYR  47  10.900  -1.458  -1.458
  353    HE2  TYR  47           HE2      TYR  47   7.003  -3.201  -3.201
  354    HH   TYR  47           HH       TYR  47   9.376  -0.950  -0.950
  355    H    GLY  48           HN       GLY  48   9.065  -2.306  -2.306
  356   1HA   GLY  48           HA2      GLY  48  10.337  -0.476  -0.476
  357   2HA   GLY  48           HA1      GLY  48  11.815  -1.228  -1.228
  358    H    ARG  49           HN       ARG  49   8.679  -0.038  -0.038
  359    HA   ARG  49           HA       ARG  49   9.492   0.298   0.298
  360   1HB   ARG  49           HB2      ARG  49   7.265   1.547   1.547
  361   2HB   ARG  49           HB1      ARG  49   7.328   1.422   1.422
  362   1HG   ARG  49           HG2      ARG  49   6.903  -0.832  -0.832
  363   2HG   ARG  49           HG1      ARG  49   7.542  -1.073  -1.073
  364   1HD   ARG  49           HD2      ARG  49   5.190  -1.226  -1.226
  365   2HD   ARG  49           HD1      ARG  49   5.569   0.369   0.369
  366    HE   ARG  49           HE       ARG  49   5.191   0.335   0.335
  367   1HH1  ARG  49          HH21      ARG  49   4.536   2.838   2.838
  368   2HH1  ARG  49          HH22      ARG  49   2.894   2.905   2.905
  369   1HH2  ARG  49          HH11      ARG  49   2.718  -0.487  -0.487
  370   2HH2  ARG  49          HH12      ARG  49   1.863   1.020   1.020
  371    H    LYS  50           HN       LYS  50   9.677   2.374   2.374
  372    HA   LYS  50           HA       LYS  50  10.758   4.581   4.581
  373   1HB   LYS  50           HB2      LYS  50  12.348   4.961   4.961
  374   2HB   LYS  50           HB1      LYS  50  12.568   3.429   3.429
  375   1HG   LYS  50           HG2      LYS  50  10.653   3.393   3.393
  376   2HG   LYS  50           HG1      LYS  50  12.319   3.741   3.741
  377   1HD   LYS  50           HD2      LYS  50  11.388   1.325   1.325
  378   2HD   LYS  50           HD1      LYS  50  11.878   1.332   1.332
  379   1HE   LYS  50           HE2      LYS  50  14.101   2.445   2.445
  380   2HE   LYS  50           HE1      LYS  50  13.552   1.595   1.595
  381   1HZ   LYS  50           HZ3      LYS  50  13.263  -0.416  -0.416
  382   2HZ   LYS  50           HZ2      LYS  50  13.875   0.399   0.399
  383   3HZ   LYS  50           HZ1      LYS  50  14.875   0.114   0.114
  384    H    LYS  51           HN       LYS  51   8.284   3.765   3.765
  385    HA   LYS  51           HA       LYS  51   6.605   5.074   5.074
  386   1HB   LYS  51           HB2      LYS  51   8.234   7.461   7.461
  387   2HB   LYS  51           HB1      LYS  51   6.633   7.451   7.451
  388   1HG   LYS  51           HG2      LYS  51   6.948   5.416   5.416
  389   2HG   LYS  51           HG1      LYS  51   7.301   7.037   7.037
  390   1HD   LYS  51           HD2      LYS  51   4.970   6.724   6.724
  391   2HD   LYS  51           HD1      LYS  51   5.099   7.735   7.735
  392   1HE   LYS  51           HE2      LYS  51   4.499   5.987   5.987
  393   2HE   LYS  51           HE1      LYS  51   4.992   4.724   4.724
  394   1HZ   LYS  51           HZ1      LYS  51   2.739   6.639   6.639
  395   2HZ   LYS  51           HZ3      LYS  51   2.574   5.000   5.000
  396   3HZ   LYS  51           HZ2      LYS  51   3.212   5.441   5.441
  397    H    ARG  52           HN       ARG  52   9.865   6.492   6.492
  398    HA   ARG  52           HA       ARG  52   9.073   7.279   7.279
  399   1HB   ARG  52           HB2      ARG  52  11.866   7.268   7.268
  400   2HB   ARG  52           HB1      ARG  52  11.184   8.367   8.367
  401   1HG   ARG  52           HG2      ARG  52  10.724   8.218   8.218
  402   2HG   ARG  52           HG1      ARG  52  11.277   9.619   9.619
  403   1HD   ARG  52           HD2      ARG  52   8.424   8.457   8.457
  404   2HD   ARG  52           HD1      ARG  52   8.960  10.037  10.037
  405    HE   ARG  52           HE       ARG  52   8.586   9.220   9.220
  406   1HH1  ARG  52          HH21      ARG  52  11.079  10.329  10.329
  407   2HH1  ARG  52          HH22      ARG  52  10.875  12.047  12.047
  408   1HH2  ARG  52          HH11      ARG  52   7.878  11.903  11.903
  409   2HH2  ARG  52          HH12      ARG  52   9.058  12.941  12.941
  410    H    ARG  53           HN       ARG  53   9.561   4.317   4.317
  411    HA   ARG  53           HA       ARG  53  11.653   3.113   3.113
  412   1HB   ARG  53           HB2      ARG  53  10.289   1.057   1.057
  413   2HB   ARG  53           HB1      ARG  53  10.491   2.079   2.079
  414   1HG   ARG  53           HG2      ARG  53   8.320   2.492   2.492
  415   2HG   ARG  53           HG1      ARG  53   8.102   2.867   2.867
  416   1HD   ARG  53           HD2      ARG  53   8.156   0.344   0.344
  417   2HD   ARG  53           HD1      ARG  53   8.017   0.168   0.168
  418    HE   ARG  53           HE       ARG  53   5.938   1.205   1.205
  419   1HH1  ARG  53          HH11      ARG  53   6.077   3.346   3.346
  420   2HH1  ARG  53          HH12      ARG  53   5.076   2.772   2.772
  421   1HH2  ARG  53          HH21      ARG  53   5.110  -0.528  -0.528
  422   2HH2  ARG  53          HH22      ARG  53   4.528   0.573   0.573
  423    H    GLN  54           HN       GLN  54   8.568   4.376   4.376
  424    HA   GLN  54           HA       GLN  54   8.307   2.723   2.723
  425   1HB   GLN  54           HB2      GLN  54   7.050   5.408   5.408
  426   2HB   GLN  54           HB1      GLN  54   6.469   4.222   4.222
  427   1HG   GLN  54           HG2      GLN  54   5.997   2.599   2.599
  428   2HG   GLN  54           HG1      GLN  54   6.724   3.610   3.610
  429   1HE2  GLN  54          HE22      GLN  54   4.010   6.017   6.017
  430   2HE2  GLN  54          HE21      GLN  54   5.716   5.994   5.994
  431    H    ARG  55           HN       ARG  55   9.609   5.955   5.955
  432    HA   ARG  55           HA       ARG  55  10.927   7.435   7.435
  433   1HB   ARG  55           HB2      ARG  55  11.572   4.710   4.710
  434   2HB   ARG  55           HB1      ARG  55  12.377   6.189   6.189
  435   1HG   ARG  55           HG2      ARG  55  12.941   6.588   6.588
  436   2HG   ARG  55           HG1      ARG  55  12.308   4.978   4.978
  437   1HD   ARG  55           HD2      ARG  55  14.644   4.636   4.636
  438   2HD   ARG  55           HD1      ARG  55  13.945   4.153   4.153
  439    HE   ARG  55           HE       ARG  55  14.483   6.986   6.986
  440   1HH1  ARG  55          HH11      ARG  55  15.154   4.759   4.759
  441   2HH1  ARG  55          HH12      ARG  55  16.877   4.922   4.922
  442   1HH2  ARG  55          HH21      ARG  55  17.078   6.834   6.834
  443   2HH2  ARG  55          HH22      ARG  55  17.969   6.101   6.101
  444    H    ARG  56           HN       ARG  56   8.081   6.779   6.779
  445    HA   ARG  56           HA       ARG  56   8.182   8.202   8.202
  446   1HB   ARG  56           HB2      ARG  56   7.301   6.423   6.423
  447   2HB   ARG  56           HB1      ARG  56   8.653   5.734   5.734
  448   1HG   ARG  56           HG2      ARG  56   6.570   5.274   5.274
  449   2HG   ARG  56           HG1      ARG  56   5.748   5.147   5.147
  450   1HD   ARG  56           HD2      ARG  56   8.360   3.799   3.799
  451   2HD   ARG  56           HD1      ARG  56   6.791   3.031   3.031
  452    HE   ARG  56           HE       ARG  56   7.813   3.610   3.610
  453   1HH1  ARG  56          HH21      ARG  56   5.407   4.371   4.371
  454   2HH1  ARG  56          HH22      ARG  56   4.352   2.998   2.998
  455   1HH2  ARG  56          HH11      ARG  56   6.363   1.095   1.095
  456   2HH2  ARG  56          HH12      ARG  56   4.893   1.140   1.140
  457    H    ARG  57           HN       ARG  57   7.011   8.728   8.728
  458    HA   ARG  57           HA       ARG  57   4.297   8.086   8.086
  459   1HB   ARG  57           HB2      ARG  57   5.887   9.315   9.315
  460   2HB   ARG  57           HB1      ARG  57   5.600  10.794  10.794
  461   1HG   ARG  57           HG2      ARG  57   4.004  11.056  11.056
  462   2HG   ARG  57           HG1      ARG  57   3.048  10.148  10.148
  463   1HD   ARG  57           HD2      ARG  57   3.582   8.074   8.074
  464   2HD   ARG  57           HD1      ARG  57   4.589   8.939   8.939
  465    HE   ARG  57           HE       ARG  57   1.682   9.638   9.638
  466   1HH1  ARG  57          HH21      ARG  57   2.275  11.450  11.450
  467   2HH1  ARG  57          HH22      ARG  57   2.416  10.656  10.656
  468   1HH2  ARG  57          HH11      ARG  57   2.788   7.487   7.487
  469   2HH2  ARG  57          HH12      ARG  57   2.707   8.406   8.406
  470    HA   PRO  58           HA       PRO  58   3.036  11.705  11.705
  471   1HB   PRO  58           HB2      PRO  58   4.940  13.125  13.125
  472   2HB   PRO  58           HB1      PRO  58   4.456  13.496  13.496
  473   1HG   PRO  58           HG2      PRO  58   6.886  12.163  12.163
  474   2HG   PRO  58           HG1      PRO  58   6.661  13.149  13.149
  475   1HD   PRO  58           HD2      PRO  58   6.804  10.356  10.356
  476   2HD   PRO  58           HD1      PRO  58   6.352  11.333  11.333
  477    H    SER  59           HN       SER  59   4.647   9.002   9.002
  478    HA   SER  59           HA       SER  59   4.198   9.458   9.458
  479   1HB   SER  59           HB2      SER  59   6.203   7.810   7.810
  480   2HB   SER  59           HB1      SER  59   5.941   7.591   7.591
  481    HG   SER  59           HG       SER  59   7.231   9.599   9.599
  482    H    GLN  60           HN       GLN  60   2.627   8.204   8.204
  483    HA   GLN  60           HA       GLN  60   1.903   5.611   5.611
  484   1HB   GLN  60           HB2      GLN  60   0.081   7.880   7.880
  485   2HB   GLN  60           HB1      GLN  60  -0.447   6.212   6.212
  486   1HG   GLN  60           HG2      GLN  60  -0.244   6.347   6.347
  487   2HG   GLN  60           HG1      GLN  60   1.143   7.443   7.443
  488   1HE2  GLN  60          HE22      GLN  60  -0.888  10.338  10.338
  489   2HE2  GLN  60          HE21      GLN  60   0.687   9.685   9.685
  490    H    GLY  61           HN       GLY  61   0.398   7.231   7.231
  491   1HA   GLY  61           HA2      GLY  61   0.654   6.819   6.819
  492   2HA   GLY  61           HA1      GLY  61   1.765   5.473   5.473
  493    H    GLY  62           HN       GLY  62  -1.575   6.327   6.327
  494   1HA   GLY  62           HA2      GLY  62  -3.521   5.005   5.005
  495   2HA   GLY  62           HA1      GLY  62  -2.845   4.168   4.168
  496    H    GLN  63           HN       GLN  63  -1.061   4.404   4.404
  497    HA   GLN  63           HA       GLN  63  -0.788   1.529   1.529
  498   1HB   GLN  63           HB2      GLN  63   1.006   3.211   3.211
  499   2HB   GLN  63           HB1      GLN  63  -0.053   3.689   3.689
  500   1HG   GLN  63           HG2      GLN  63   1.096   2.369   2.369
  501   2HG   GLN  63           HG1      GLN  63   0.025   1.114   1.114
  502   1HE2  GLN  63          HE22      GLN  63   2.540  -0.098  -0.098
  503   2HE2  GLN  63          HE21      GLN  63   0.878   0.288   0.288
  504    H    THR  64           HN       THR  64  -2.635   3.988   3.988
  505    HA   THR  64           HA       THR  64  -4.392   3.766   3.766
  506    HB   THR  64           HB       THR  64  -4.236   0.830   0.830
  507    HG1  THR  64           HG1      THR  64  -4.871   1.355   1.355
  508   1HG2  THR  64          HG23      THR  64  -5.641   1.777   1.777
  509   2HG2  THR  64          HG22      THR  64  -6.675   2.452   2.452
  510   3HG2  THR  64          HG21      THR  64  -6.451   0.707   0.707
  511    H    HIS  65           HN       HIS  65  -2.160   4.156   4.156
  512    HA   HIS  65           HA       HIS  65  -0.970   2.049   2.049
  513   1HB   HIS  65           HB2      HIS  65  -0.864   4.946   4.946
  514   2HB   HIS  65           HB1      HIS  65  -0.411   4.426   4.426
  515    HD1  HIS  65           HD1      HIS  65   1.200   5.642   5.642
  516    HD2  HIS  65           HD2      HIS  65   1.295   1.737   1.737
  517    HE1  HIS  65           HE1      HIS  65   3.281   4.583   4.583
  518    H    GLN  66           HN       GLN  66  -0.896   2.684   2.684
  519    HA   GLN  66           HA       GLN  66  -3.698   3.006   3.006
  520   1HB   GLN  66           HB2      GLN  66  -3.159   1.050   1.050
  521   2HB   GLN  66           HB1      GLN  66  -3.280   0.713   0.713
  522   1HG   GLN  66           HG2      GLN  66  -0.527   1.244   1.244
  523   2HG   GLN  66           HG1      GLN  66  -1.038   0.158   0.158
  524   1HE2  GLN  66          HE22      GLN  66  -1.016  -0.866  -0.866
  525   2HE2  GLN  66          HE21      GLN  66  -0.894   0.767   0.767
  526    H    ASP  67           HN       ASP  67  -0.359   2.656   2.656
  527    HA   ASP  67           HA       ASP  67  -0.979   4.332   4.332
  528   1HB   ASP  67           HB2      ASP  67   0.471   2.369   2.369
  529   2HB   ASP  67           HB1      ASP  67   1.506   3.128   3.128
  530    HA   PRO  68           HA       PRO  68   2.040   7.267   7.267
  531   1HB   PRO  68           HB2      PRO  68   2.343   7.022   7.022
  532   2HB   PRO  68           HB1      PRO  68   3.351   6.179   6.179
  533   1HG   PRO  68           HG2      PRO  68   1.119   5.209   5.209
  534   2HG   PRO  68           HG1      PRO  68   2.554   4.325   4.325
  535   1HD   PRO  68           HD2      PRO  68   0.081   4.075   4.075
  536   2HD   PRO  68           HD1      PRO  68   1.601   3.585   3.585
  537    H    ILE  69           HN       ILE  69  -0.932   6.331   6.331
  538    HA   ILE  69           HA       ILE  69  -1.557   9.252   9.252
  539    HB   ILE  69           HB       ILE  69  -1.907   9.204   9.204
  540   1HG1  ILE  69          HG12      ILE  69  -3.632   7.604   7.604
  541   2HG1  ILE  69          HG11      ILE  69  -2.233   6.953   6.953
  542   1HG2  ILE  69          HG22      ILE  69   0.453   8.515   8.515
  543   2HG2  ILE  69          HG21      ILE  69  -0.031   6.839   6.839
  544   3HG2  ILE  69          HG23      ILE  69  -0.117   8.001   8.001
  545   1HD1  ILE  69          HD11      ILE  69  -1.652   5.680   5.680
  546   2HD1  ILE  69          HD13      ILE  69  -3.332   5.954   5.954
  547   3HD1  ILE  69          HD12      ILE  69  -2.951   5.091   5.091
  548    HA   PRO  70           HA       PRO  70  -5.119   6.393   6.393
  549   1HB   PRO  70           HB2      PRO  70  -5.084   7.205   7.205
  550   2HB   PRO  70           HB1      PRO  70  -4.283   5.713   5.713
  551   1HG   PRO  70           HG2      PRO  70  -3.232   8.478   8.478
  552   2HG   PRO  70           HG1      PRO  70  -2.502   6.912   6.912
  553   1HD   PRO  70           HD2      PRO  70  -1.629   8.353   8.353
  554   2HD   PRO  70           HD1      PRO  70  -1.744   6.566   6.566
  555    H    LYS  71           HN       LYS  71  -4.100   9.670   9.670
  556    HA   LYS  71           HA       LYS  71  -6.462  10.937  10.937
  557   1HB   LYS  71           HB2      LYS  71  -5.459  12.925  12.925
  558   2HB   LYS  71           HB1      LYS  71  -4.353  12.102  12.102
  559   1HG   LYS  71           HG2      LYS  71  -3.971  10.805  10.805
  560   2HG   LYS  71           HG1      LYS  71  -4.145  12.523  12.523
  561   1HD   LYS  71           HD2      LYS  71  -1.902  11.889  11.889
  562   2HD   LYS  71           HD1      LYS  71  -2.369  13.056  13.056
  563   1HE   LYS  71           HE2      LYS  71  -2.666  11.151  11.151
  564   2HE   LYS  71           HE1      LYS  71  -2.208  10.016  10.016
  565   1HZ   LYS  71           HZ2      LYS  71  -0.107  11.189  11.189
  566   2HZ   LYS  71           HZ1      LYS  71  -0.526  12.266  12.266
  567   3HZ   LYS  71           HZ3      LYS  71  -0.282  10.624  10.624
  568    H    GLN  72           HN       GLN  72  -5.475  10.006  10.006
  569    HA   GLN  72           HA       GLN  72  -8.270   9.978   9.978
  570   1HB   GLN  72           HB2      GLN  72  -7.261  11.633  11.633
  571   2HB   GLN  72           HB1      GLN  72  -8.176  12.193  12.193
  572   1HG   GLN  72           HG2      GLN  72  -6.350  13.551  13.551
  573   2HG   GLN  72           HG1      GLN  72  -5.811  12.393  12.393
  574   1HE2  GLN  72          HE22      GLN  72  -3.333  11.116  11.116
  575   2HE2  GLN  72          HE21      GLN  72  -4.284  10.584  10.584
  576    HA   PRO  73           HA       PRO  73  -6.612   7.042   7.042
  577   1HB   PRO  73           HB2      PRO  73  -7.894   7.581   7.581
  578   2HB   PRO  73           HB1      PRO  73  -8.706   6.764   6.764
  579   1HG   PRO  73           HG2      PRO  73  -8.773   9.677   9.677
  580   2HG   PRO  73           HG1      PRO  73 -10.131   8.620   8.620
  581   1HD   PRO  73           HD2      PRO  73  -9.016  10.334  10.334
  582   2HD   PRO  73           HD1      PRO  73  -9.526   8.720   8.720
  583    H    SER  74           HN       SER  74  -6.998  10.258  10.258
  584    HA   SER  74           HA       SER  74  -5.534  11.486  11.486
  585   1HB   SER  74           HB2      SER  74  -4.584  11.030  11.030
  586   2HB   SER  74           HB1      SER  74  -3.259  10.341  10.341
  587    HG   SER  74           HG       SER  74  -2.761  12.451  12.451
  588    H    SER  75           HN       SER  75  -6.190   9.022   9.022
  589    HA   SER  75           HA       SER  75  -4.284   8.700   8.700
  590   1HB   SER  75           HB2      SER  75  -3.501   7.481   7.481
  591   2HB   SER  75           HB1      SER  75  -3.663   6.260   6.260
  592    HG   SER  75           HG       SER  75  -1.929   8.422   8.422
  593    H    GLN  76           HN       GLN  76  -6.550   6.958   6.958
  594    HA   GLN  76           HA       GLN  76  -7.272   4.950   4.950
  595   1HB   GLN  76           HB2      GLN  76  -8.451   5.868   5.868
  596   2HB   GLN  76           HB1      GLN  76  -9.087   4.528   4.528
  597   1HG   GLN  76           HG2      GLN  76  -7.646   3.297   3.297
  598   2HG   GLN  76           HG1      GLN  76  -6.463   3.857   3.857
  599   1HE2  GLN  76          HE22      GLN  76  -4.741   5.897   5.897
  600   2HE2  GLN  76          HE21      GLN  76  -4.862   5.381   5.381
  601    HA   PRO  77           HA       PRO  77 -11.227   7.647   7.647
  602   1HB   PRO  77           HB2      PRO  77 -11.107  10.244  10.244
  603   2HB   PRO  77           HB1      PRO  77 -11.676   8.878   8.878
  604   1HG   PRO  77           HG2      PRO  77  -9.055  10.241  10.241
  605   2HG   PRO  77           HG1      PRO  77 -10.002   9.622   9.622
  606   1HD   PRO  77           HD2      PRO  77  -7.860   8.379   8.379
  607   2HD   PRO  77           HD1      PRO  77  -9.206   7.502   7.502
  608    H    ARG  78           HN       ARG  78  -7.996   8.750   8.750
  609    HA   ARG  78           HA       ARG  78  -8.812  10.068  10.068
  610   1HB   ARG  78           HB2      ARG  78  -7.453  12.049  12.049
  611   2HB   ARG  78           HB1      ARG  78  -8.544  11.572  11.572
  612   1HG   ARG  78           HG2      ARG  78  -6.732  10.327  10.327
  613   2HG   ARG  78           HG1      ARG  78  -5.615  10.939  10.939
  614   1HD   ARG  78           HD2      ARG  78  -7.337  12.885  12.885
  615   2HD   ARG  78           HD1      ARG  78  -5.880  12.204  12.204
  616    HE   ARG  78           HE       ARG  78  -4.835  12.910  12.910
  617   1HH1  ARG  78          HH21      ARG  78  -6.566  14.718  14.718
  618   2HH1  ARG  78          HH22      ARG  78  -6.355  16.223  16.223
  619   1HH2  ARG  78          HH11      ARG  78  -4.796  14.793  14.793
  620   2HH2  ARG  78          HH12      ARG  78  -5.350  16.266  16.266
  621    H    GLY  79           HN       GLY  79  -7.551   7.430   7.430
  622   1HA   GLY  79           HA2      GLY  79  -5.239   7.748   7.748
  623   2HA   GLY  79           HA1      GLY  79  -4.824   7.211   7.211
  624    H    ASP  80           HN       ASP  80  -4.884   5.046   5.046
  625    HA   ASP  80           HA       ASP  80  -5.707   3.226   3.226
  626   1HB   ASP  80           HB2      ASP  80  -3.778   2.851   2.851
  627   2HB   ASP  80           HB1      ASP  80  -4.875   2.771   2.771
  628    HA   PRO  81           HA       PRO  81  -9.913   2.841   2.841
  629   1HB   PRO  81           HB2      PRO  81 -10.571   0.612   0.612
  630   2HB   PRO  81           HB1      PRO  81 -10.423   2.227   2.227
  631   1HG   PRO  81           HG2      PRO  81  -8.463  -0.024  -0.024
  632   2HG   PRO  81           HG1      PRO  81  -8.884   1.082   1.082
  633   1HD   PRO  81           HD2      PRO  81  -6.643   1.340   1.340
  634   2HD   PRO  81           HD1      PRO  81  -7.472   2.727   2.727
  635    H    THR  82           HN       THR  82  -9.261   2.254   2.254
  636    HA   THR  82           HA       THR  82  -8.465  -0.414  -0.414
  637    HB   THR  82           HB       THR  82  -9.330   0.515   0.515
  638    HG1  THR  82           HG1      THR  82 -10.534   2.201   2.201
  639   1HG2  THR  82          HG23      THR  82  -6.955   0.654   0.654
  640   2HG2  THR  82          HG22      THR  82  -7.331   2.376   2.376
  641   3HG2  THR  82          HG21      THR  82  -7.258   1.469   1.469
  642    H    GLY  83           HN       GLY  83 -11.617   1.273   1.273
  643   1HA   GLY  83           HA2      GLY  83 -13.238  -0.930  -0.930
  644   2HA   GLY  83           HA1      GLY  83 -12.968  -1.052  -1.052
  645    HA   PRO  84           HA       PRO  84 -16.172   2.096   2.096
  646   1HB   PRO  84           HB2      PRO  84 -16.577   1.859   1.859
  647   2HB   PRO  84           HB1      PRO  84 -17.118   0.656   0.656
  648   1HG   PRO  84           HG2      PRO  84 -15.022   0.399   0.399
  649   2HG   PRO  84           HG1      PRO  84 -15.574  -0.851  -0.851
  650   1HD   PRO  84           HD2      PRO  84 -13.341   0.969   0.969
  651   2HD   PRO  84           HD1      PRO  84 -13.415  -0.635  -0.635
  652    H    LYS  85           HN       LYS  85 -13.037   2.671   2.671
  653    HA   LYS  85           HA       LYS  85 -13.464   5.003   5.003
  654   1HB   LYS  85           HB2      LYS  85 -10.997   3.944   3.944
  655   2HB   LYS  85           HB1      LYS  85 -11.010   5.107   5.107
  656   1HG   LYS  85           HG2      LYS  85 -11.915   2.204   2.204
  657   2HG   LYS  85           HG1      LYS  85 -10.476   2.900   2.900
  658   1HD   LYS  85           HD2      LYS  85 -13.304   3.769   3.769
  659   2HD   LYS  85           HD1      LYS  85 -12.339   2.630   2.630
  660   1HE   LYS  85           HE2      LYS  85 -10.644   4.308   4.308
  661   2HE   LYS  85           HE1      LYS  85 -11.453   5.481   5.481
  662   1HZ   LYS  85           HZ2      LYS  85 -13.468   5.210   5.210
  663   2HZ   LYS  85           HZ1      LYS  85 -12.606   4.205   4.205
  664   3HZ   LYS  85           HZ3      LYS  85 -12.166   5.834   5.834
  665    H    GLU  86           HN       GLU  86 -13.948   4.534   4.534
  666    HA   GLU  86           HA       GLU  86 -12.568   6.835   6.835
  667   1HB   GLU  86           HB2      GLU  86 -14.866   5.085   5.085
  668   2HB   GLU  86           HB1      GLU  86 -14.025   6.266   6.266
  669   1HG   GLU  86           HG2      GLU  86 -11.900   5.052   5.052
  670   2HG   GLU  86           HG1      GLU  86 -12.903   3.826   3.826

  Start of MODEL    4
    1   1H    LEU   1           HT3      LEU   1  15.052 -10.138 -10.138
    2   2H    LEU   1           HT2      LEU   1  13.658 -11.071 -11.071
    3   3H    LEU   1           HT1      LEU   1  14.083 -10.616 -10.616
    4    HA   LEU   1           HA       LEU   1  12.382  -9.127  -9.127
    5   1HB   LEU   1           HB2      LEU   1  12.162  -8.185  -8.185
    6   2HB   LEU   1           HB1      LEU   1  12.405  -9.932  -9.932
    7    HG   LEU   1           HG       LEU   1  14.989  -8.727  -8.727
    8   1HD1  LEU   1          HD11      LEU   1  13.524  -6.681  -6.681
    9   2HD1  LEU   1          HD13      LEU   1  13.355  -7.510  -7.510
   10   3HD1  LEU   1          HD12      LEU   1  14.955  -7.051  -7.051
   11   1HD2  LEU   1          HD22      LEU   1  14.109 -10.826 -10.826
   12   2HD2  LEU   1          HD21      LEU   1  15.265  -9.838  -9.838
   13   3HD2  LEU   1          HD23      LEU   1  13.545  -9.744  -9.744
   14    H    ASP   2           HN       ASP   2  12.509  -6.652  -6.652
   15    HA   ASP   2           HA       ASP   2  13.451  -4.641  -4.641
   16   1HB   ASP   2           HB2      ASP   2  14.511  -5.267  -5.267
   17   2HB   ASP   2           HB1      ASP   2  15.924  -5.703  -5.703
   18    HA   PRO   3           HA       PRO   3  16.094  -6.608  -6.608
   19   1HB   PRO   3           HB2      PRO   3  14.227  -7.477  -7.477
   20   2HB   PRO   3           HB1      PRO   3  14.808  -8.459  -8.459
   21   1HG   PRO   3           HG2      PRO   3  12.189  -7.216  -7.216
   22   2HG   PRO   3           HG1      PRO   3  12.708  -8.483  -8.483
   23   1HD   PRO   3           HD2      PRO   3  12.487  -5.589  -5.589
   24   2HD   PRO   3           HD1      PRO   3  12.438  -6.878  -6.878
   25    H    VAL   4           HN       VAL   4  13.230  -5.718  -5.718
   26    HA   VAL   4           HA       VAL   4  14.578  -3.487  -3.487
   27    HB   VAL   4           HB       VAL   4  11.839  -4.781  -4.781
   28   1HG1  VAL   4          HG12      VAL   4  12.442  -2.116  -2.116
   29   2HG1  VAL   4          HG11      VAL   4  11.410  -3.247  -3.247
   30   3HG1  VAL   4          HG13      VAL   4  10.955  -2.707  -2.707
   31   1HG2  VAL   4          HG23      VAL   4  13.624  -5.849  -5.849
   32   2HG2  VAL   4          HG22      VAL   4  12.356  -5.259  -5.259
   33   3HG2  VAL   4          HG21      VAL   4  13.875  -4.372  -4.372
   34    H    ASP   5           HN       ASP   5  11.500  -3.576  -3.576
   35    HA   ASP   5           HA       ASP   5  12.310  -1.242  -1.242
   36   1HB   ASP   5           HB2      ASP   5  11.086  -0.068  -0.068
   37   2HB   ASP   5           HB1      ASP   5  10.110  -1.412  -1.412
   38    HA   PRO   6           HA       PRO   6   9.413  -4.034  -4.034
   39   1HB   PRO   6           HB2      PRO   6   7.069  -4.829  -4.829
   40   2HB   PRO   6           HB1      PRO   6   7.279  -3.171  -3.171
   41   1HG   PRO   6           HG2      PRO   6   6.920  -4.101  -4.101
   42   2HG   PRO   6           HG1      PRO   6   6.985  -2.390  -2.390
   43   1HD   PRO   6           HD2      PRO   6   9.093  -4.058  -4.058
   44   2HD   PRO   6           HD1      PRO   6   8.858  -2.304  -2.304
   45    H    ASN   7           HN       ASN   7   7.850  -6.463  -6.463
   46    HA   ASN   7           HA       ASN   7  10.003  -8.226  -8.226
   47   1HB   ASN   7           HB2      ASN   7   7.142  -8.513  -8.513
   48   2HB   ASN   7           HB1      ASN   7   7.997  -9.907  -9.907
   49   1HD2  ASN   7          HD22      ASN   7   8.793  -8.840  -8.840
   50   2HD2  ASN   7          HD21      ASN   7   7.493  -8.184  -8.184
   51    H    ILE   8           HN       ILE   8   6.742  -7.531  -7.531
   52    HA   ILE   8           HA       ILE   8   7.858  -8.161  -8.161
   53    HB   ILE   8           HB       ILE   8   6.060  -9.604  -9.604
   54   1HG1  ILE   8          HG12      ILE   8   4.134  -8.297  -8.297
   55   2HG1  ILE   8          HG11      ILE   8   4.073  -9.889  -9.889
   56   1HG2  ILE   8          HG21      ILE   8   7.702 -10.469 -10.469
   57   2HG2  ILE   8          HG23      ILE   8   6.432 -10.179 -10.179
   58   3HG2  ILE   8          HG22      ILE   8   6.168 -11.328 -11.328
   59   1HD1  ILE   8          HD12      ILE   8   5.263  -8.878  -8.878
   60   2HD1  ILE   8          HD11      ILE   8   4.813  -7.314  -7.314
   61   3HD1  ILE   8          HD13      ILE   8   3.564  -8.477  -8.477
   62    H    GLU   9           HN       GLU   9   7.123  -5.591  -5.591
   63    HA   GLU   9           HA       GLU   9   5.961  -3.571  -3.571
   64   1HB   GLU   9           HB2      GLU   9   6.227  -4.840  -4.840
   65   2HB   GLU   9           HB1      GLU   9   5.683  -3.184  -3.184
   66   1HG   GLU   9           HG2      GLU   9   7.733  -2.437  -2.437
   67   2HG   GLU   9           HG1      GLU   9   8.227  -3.995  -3.995
   68    HA   PRO  10           HA       PRO  10   1.925  -5.761  -5.761
   69   1HB   PRO  10           HB2      PRO  10   1.300  -5.988  -5.988
   70   2HB   PRO  10           HB1      PRO  10   2.438  -6.920  -6.920
   71   1HG   PRO  10           HG2      PRO  10   3.142  -5.007  -5.007
   72   2HG   PRO  10           HG1      PRO  10   3.945  -6.527  -6.527
   73   1HD   PRO  10           HD2      PRO  10   4.589  -3.897  -3.897
   74   2HD   PRO  10           HD1      PRO  10   5.304  -5.454  -5.454
   75    H    TRP  11           HN       TRP  11   2.642  -2.743  -2.743
   76    HA   TRP  11           HA       TRP  11   0.185  -1.731  -1.731
   77   1HB   TRP  11           HB2      TRP  11   2.585  -0.196  -0.196
   78   2HB   TRP  11           HB1      TRP  11   1.325   0.416   0.416
   79    HD1  TRP  11           HD1      TRP  11   3.994  -2.388  -2.388
   80    HE1  TRP  11           HE1      TRP  11   4.951  -2.545  -2.545
   81    HE3  TRP  11           HE3      TRP  11   1.177   1.182   1.182
   82    HZ2  TRP  11           HZ2      TRP  11   4.570  -1.307  -1.307
   83    HZ3  TRP  11           HZ3      TRP  11   1.504   1.666   1.666
   84    HH2  TRP  11           HH2      TRP  11   3.191   0.432   0.432
   85    H    ASN  12           HN       ASN  12   0.662  -2.969  -2.969
   86    HA   ASN  12           HA       ASN  12  -0.502  -0.703  -0.703
   87   1HB   ASN  12           HB2      ASN  12   0.964  -3.065  -3.065
   88   2HB   ASN  12           HB1      ASN  12   0.794  -1.412  -1.412
   89   1HD2  ASN  12          HD22      ASN  12   3.657  -2.198  -2.198
   90   2HD2  ASN  12          HD21      ASN  12   2.358  -3.268  -3.268
   91    H    HIS  13           HN       HIS  13  -2.576  -1.052  -1.052
   92    HA   HIS  13           HA       HIS  13  -3.520  -3.851  -3.851
   93   1HB   HIS  13           HB2      HIS  13  -4.770  -1.671  -1.671
   94   2HB   HIS  13           HB1      HIS  13  -5.596  -3.178  -3.178
   95    HD1  HIS  13           HD1      HIS  13  -4.126  -5.408  -5.408
   96    HD2  HIS  13           HD2      HIS  13  -3.227  -1.774  -1.774
   97    HE1  HIS  13           HE1      HIS  13  -2.859  -5.969  -5.969
   98    HA   PRO  14           HA       PRO  14  -5.647  -2.017  -2.017
   99   1HB   PRO  14           HB2      PRO  14  -7.991  -3.540  -3.540
  100   2HB   PRO  14           HB1      PRO  14  -6.441  -4.149  -4.149
  101   1HG   PRO  14           HG2      PRO  14  -7.980  -4.500  -4.500
  102   2HG   PRO  14           HG1      PRO  14  -6.904  -5.669  -5.669
  103   1HD   PRO  14           HD2      PRO  14  -6.381  -4.075  -4.075
  104   2HD   PRO  14           HD1      PRO  14  -5.095  -4.991  -4.991
  105    H    GLY  15           HN       GLY  15  -7.220  -2.149  -2.149
  106   1HA   GLY  15           HA2      GLY  15  -8.674  -0.729  -0.729
  107   2HA   GLY  15           HA1      GLY  15  -8.534   0.429   0.429
  108    H    SER  16           HN       SER  16  -9.388  -2.969  -2.969
  109    HA   SER  16           HA       SER  16 -12.292  -2.419  -2.419
  110   1HB   SER  16           HB2      SER  16 -10.986  -1.824  -1.824
  111   2HB   SER  16           HB1      SER  16 -10.644  -3.543  -3.543
  112    HG   SER  16           HG       SER  16 -12.659  -3.812  -3.812
  113    H    GLN  17           HN       GLN  17  -9.968  -4.442  -4.442
  114    HA   GLN  17           HA       GLN  17 -11.784  -6.791  -6.791
  115   1HB   GLN  17           HB2      GLN  17  -8.882  -6.691  -6.691
  116   2HB   GLN  17           HB1      GLN  17  -9.826  -8.151  -8.151
  117   1HG   GLN  17           HG2      GLN  17 -10.574  -8.448  -8.448
  118   2HG   GLN  17           HG1      GLN  17 -11.540  -7.002  -7.002
  119   1HE2  GLN  17          HE22      GLN  17  -9.712  -5.372  -5.372
  120   2HE2  GLN  17          HE21      GLN  17 -11.171  -5.522  -5.522
  121    HA   PRO  18           HA       PRO  18  -8.645  -7.570  -7.570
  122   1HB   PRO  18           HB2      PRO  18  -6.886  -5.521  -5.521
  123   2HB   PRO  18           HB1      PRO  18  -6.500  -6.891  -6.891
  124   1HG   PRO  18           HG2      PRO  18  -7.523  -4.157  -4.157
  125   2HG   PRO  18           HG1      PRO  18  -6.144  -5.060  -5.060
  126   1HD   PRO  18           HD2      PRO  18  -8.354  -4.921  -4.921
  127   2HD   PRO  18           HD1      PRO  18  -7.545  -6.513  -6.513
  128    H    LYS  19           HN       LYS  19  -9.999  -4.418  -4.418
  129    HA   LYS  19           HA       LYS  19 -11.076  -4.335  -4.335
  130   1HB   LYS  19           HB2      LYS  19 -10.665  -1.875  -1.875
  131   2HB   LYS  19           HB1      LYS  19  -9.165  -2.781  -2.781
  132   1HG   LYS  19           HG2      LYS  19  -9.225  -2.457  -2.457
  133   2HG   LYS  19           HG1      LYS  19 -10.782  -1.619  -1.619
  134   1HD   LYS  19           HD2      LYS  19  -8.741  -0.465  -0.465
  135   2HD   LYS  19           HD1      LYS  19  -8.244  -0.470  -0.470
  136   1HE   LYS  19           HE2      LYS  19 -10.329   0.650   0.650
  137   2HE   LYS  19           HE1      LYS  19 -10.870   0.655   0.655
  138   1HZ   LYS  19           HZ2      LYS  19  -8.680   1.769   1.769
  139   2HZ   LYS  19           HZ1      LYS  19  -8.463   1.971   1.971
  140   3HZ   LYS  19           HZ3      LYS  19  -9.766   2.721   2.721
  141    H    THR  20           HN       THR  20 -12.286  -5.391  -5.391
  142    HA   THR  20           HA       THR  20 -14.662  -3.623  -3.623
  143    HB   THR  20           HB       THR  20 -12.664  -4.330  -4.330
  144    HG1  THR  20           HG1      THR  20 -12.169  -2.339  -2.339
  145   1HG2  THR  20          HG23      THR  20 -15.531  -3.397  -3.397
  146   2HG2  THR  20          HG22      THR  20 -14.316  -3.257  -3.257
  147   3HG2  THR  20          HG21      THR  20 -14.785  -4.846  -4.846
  148    H    ALA  21           HN       ALA  21 -13.073  -6.491  -6.491
  149    HA   ALA  21           HA       ALA  21 -15.528  -7.764  -7.764
  150   1HB   ALA  21           HB2      ALA  21 -13.335  -8.072  -8.072
  151   2HB   ALA  21           HB1      ALA  21 -12.728  -8.833  -8.833
  152   3HB   ALA  21           HB3      ALA  21 -13.996  -9.619  -9.619
  153    H    CYS  22           HN       CYS  22 -15.171  -7.191  -7.191
  154    HA   CYS  22           HA       CYS  22 -15.623  -8.314  -8.314
  155   1HB   CYS  22           HB2      CYS  22 -17.328  -9.216  -9.216
  156   2HB   CYS  22           HB1      CYS  22 -17.087 -10.543 -10.543
  157    HG   CYS  22           HG       CYS  22 -18.517  -7.870  -7.870
  158    H    ASN  23           HN       ASN  23 -13.248  -9.087  -9.087
  159    HA   ASN  23           HA       ASN  23 -12.803 -11.925 -11.925
  160   1HB   ASN  23           HB2      ASN  23 -10.794 -11.373 -11.373
  161   2HB   ASN  23           HB1      ASN  23 -11.823  -9.985  -9.985
  162   1HD2  ASN  23          HD22      ASN  23 -10.224  -7.684  -7.684
  163   2HD2  ASN  23          HD21      ASN  23 -11.806  -8.184  -8.184
  164    H    ARG  24           HN       ARG  24 -12.233  -9.225  -9.225
  165    HA   ARG  24           HA       ARG  24 -11.861 -10.871 -10.871
  166   1HB   ARG  24           HB2      ARG  24  -9.259 -10.240 -10.240
  167   2HB   ARG  24           HB1      ARG  24  -9.817 -11.687 -11.687
  168   1HG   ARG  24           HG2      ARG  24  -9.126 -10.989 -10.989
  169   2HG   ARG  24           HG1      ARG  24  -9.775  -9.359  -9.359
  170   1HD   ARG  24           HD2      ARG  24  -7.744  -8.770  -8.770
  171   2HD   ARG  24           HD1      ARG  24  -7.818  -9.122  -9.122
  172    HE   ARG  24           HE       ARG  24  -6.598 -11.203 -11.203
  173   1HH1  ARG  24          HH21      ARG  24  -7.250 -12.668 -12.668
  174   2HH1  ARG  24          HH22      ARG  24  -6.269 -12.183 -12.183
  175   1HH2  ARG  24          HH11      ARG  24  -5.359  -9.148  -9.148
  176   2HH2  ARG  24          HH12      ARG  24  -5.194 -10.181 -10.181
  177    H    CYS  25           HN       CYS  25  -9.551  -8.241  -8.241
  178    HA   CYS  25           HA       CYS  25  -9.481  -6.077  -6.077
  179   1HB   CYS  25           HB2      CYS  25 -11.811  -6.333  -6.333
  180   2HB   CYS  25           HB1      CYS  25 -12.414  -6.066  -6.066
  181    HG   CYS  25           HG       CYS  25 -12.016  -3.683  -3.683
  182    H    HIS  26           HN       HIS  26  -9.000  -8.047  -8.047
  183    HA   HIS  26           HA       HIS  26  -9.837  -6.803  -6.803
  184   1HB   HIS  26           HB2      HIS  26 -10.951  -9.015  -9.015
  185   2HB   HIS  26           HB1      HIS  26 -11.883  -7.920  -7.920
  186    HD1  HIS  26           HD1      HIS  26 -13.090 -10.488 -10.488
  187    HD2  HIS  26           HD2      HIS  26  -9.699  -9.715  -9.715
  188    HE1  HIS  26           HE1      HIS  26 -13.065 -12.202 -12.202
  189    H    CYS  27           HN       CYS  27  -8.382  -9.697  -9.697
  190    HA   CYS  27           HA       CYS  27  -6.670 -10.118 -10.118
  191   1HB   CYS  27           HB2      CYS  27  -6.532 -12.270 -12.270
  192   2HB   CYS  27           HB1      CYS  27  -7.982 -11.813 -11.813
  193    HG   CYS  27           HG       CYS  27  -6.737 -11.802 -11.802
  194    H    LYS  28           HN       LYS  28  -6.608  -8.495  -8.495
  195    HA   LYS  28           HA       LYS  28  -3.759  -8.730  -8.730
  196   1HB   LYS  28           HB2      LYS  28  -5.225  -8.353  -8.353
  197   2HB   LYS  28           HB1      LYS  28  -6.097  -7.114  -7.114
  198   1HG   LYS  28           HG2      LYS  28  -3.900  -5.757  -5.757
  199   2HG   LYS  28           HG1      LYS  28  -3.404  -6.868  -6.868
  200   1HD   LYS  28           HD2      LYS  28  -5.558  -4.779  -4.779
  201   2HD   LYS  28           HD1      LYS  28  -4.414  -5.104  -5.104
  202   1HE   LYS  28           HE2      LYS  28  -5.657  -7.154  -7.154
  203   2HE   LYS  28           HE1      LYS  28  -6.799  -6.854  -6.854
  204   1HZ   LYS  28           HZ2      LYS  28  -7.159  -4.607  -4.607
  205   2HZ   LYS  28           HZ1      LYS  28  -6.272  -5.087  -5.087
  206   3HZ   LYS  28           HZ3      LYS  28  -7.722  -5.874  -5.874
  207    H    LYS  29           HN       LYS  29  -5.802  -5.974  -5.974
  208    HA   LYS  29           HA       LYS  29  -3.400  -4.590  -4.590
  209   1HB   LYS  29           HB2      LYS  29  -4.615  -2.672  -2.672
  210   2HB   LYS  29           HB1      LYS  29  -5.470  -3.712  -3.712
  211   1HG   LYS  29           HG2      LYS  29  -6.358  -3.315  -3.315
  212   2HG   LYS  29           HG1      LYS  29  -6.910  -2.340  -2.340
  213   1HD   LYS  29           HD2      LYS  29  -7.288  -4.912  -4.912
  214   2HD   LYS  29           HD1      LYS  29  -7.605  -5.081  -5.081
  215   1HE   LYS  29           HE2      LYS  29  -9.695  -4.509  -4.509
  216   2HE   LYS  29           HE1      LYS  29  -9.096  -2.960  -2.960
  217   1HZ   LYS  29           HZ3      LYS  29  -8.722  -3.969  -3.969
  218   2HZ   LYS  29           HZ2      LYS  29  -9.815  -2.752  -2.752
  219   3HZ   LYS  29           HZ1      LYS  29  -8.144  -2.489  -2.489
  220    H    CYS  30           HN       CYS  30  -6.123  -6.437  -6.437
  221    HA   CYS  30           HA       CYS  30  -7.073  -6.746  -6.746
  222   1HB   CYS  30           HB2      CYS  30  -4.899  -8.026  -8.026
  223   2HB   CYS  30           HB1      CYS  30  -4.118  -6.949  -6.949
  224    HG   CYS  30           HG       CYS  30  -5.108  -8.443  -8.443
  225    H    CYS  31           HN       CYS  31  -4.715  -5.897  -5.897
  226    HA   CYS  31           HA       CYS  31  -5.497  -3.035  -3.035
  227   1HB   CYS  31           HB2      CYS  31  -6.111  -3.497  -3.497
  228   2HB   CYS  31           HB1      CYS  31  -7.195  -4.227  -4.227
  229    HG   CYS  31           HG       CYS  31  -5.977  -5.828  -5.828
  230    H    TYR  32           HN       TYR  32  -3.107  -3.174  -3.174
  231    HA   TYR  32           HA       TYR  32  -1.419  -2.820  -2.820
  232   1HB   TYR  32           HB2      TYR  32   0.300  -4.383  -4.383
  233   2HB   TYR  32           HB1      TYR  32  -1.138  -5.253  -5.253
  234    HD1  TYR  32           HD1      TYR  32  -2.891  -5.513  -5.513
  235    HD2  TYR  32           HD2      TYR  32   1.316  -4.713  -4.713
  236    HE1  TYR  32           HE1      TYR  32  -2.869  -6.388  -6.388
  237    HE2  TYR  32           HE2      TYR  32   1.332  -5.565  -5.565
  238    HH   TYR  32           HH       TYR  32  -1.390  -6.021  -6.021
  239    H    HIS  33           HN       HIS  33  -2.301  -0.841  -0.841
  240    HA   HIS  33           HA       HIS  33  -1.572   1.039   1.039
  241   1HB   HIS  33           HB2      HIS  33   1.109  -0.456  -0.456
  242   2HB   HIS  33           HB1      HIS  33   0.886   1.103   1.103
  243    HD1  HIS  33           HD1      HIS  33   0.210   3.135   3.135
  244    HD2  HIS  33           HD2      HIS  33   0.902  -0.339  -0.339
  245    HE1  HIS  33           HE1      HIS  33   0.400   3.847   3.847
  246    H    CYS  34           HN       CYS  34  -1.912  -2.007  -2.007
  247    HA   CYS  34           HA       CYS  34  -2.159  -2.903  -2.903
  248   1HB   CYS  34           HB2      CYS  34  -2.389   0.011   0.011
  249   2HB   CYS  34           HB1      CYS  34  -3.071  -1.306  -1.306
  250    HG   CYS  34           HG       CYS  34  -5.080  -0.807  -0.807
  251    H    GLN  35           HN       GLN  35   0.074  -3.639  -3.639
  252    HA   GLN  35           HA       GLN  35   1.863  -1.947  -1.947
  253   1HB   GLN  35           HB2      GLN  35   2.496  -4.334  -4.334
  254   2HB   GLN  35           HB1      GLN  35   3.664  -3.294  -3.294
  255   1HG   GLN  35           HG2      GLN  35   1.822  -2.495  -2.495
  256   2HG   GLN  35           HG1      GLN  35   3.590  -2.580  -2.580
  257   1HE2  GLN  35          HE22      GLN  35   2.025   0.889   0.889
  258   2HE2  GLN  35          HE21      GLN  35   1.235  -0.320  -0.320
  259    H    VAL  36           HN       VAL  36   0.578  -5.239  -5.239
  260    HA   VAL  36           HA       VAL  36   0.201  -6.996  -6.996
  261    HB   VAL  36           HB       VAL  36   0.696  -4.941  -4.941
  262   1HG1  VAL  36          HG13      VAL  36  -1.087  -7.356  -7.356
  263   2HG1  VAL  36          HG12      VAL  36  -1.114  -6.214  -6.214
  264   3HG1  VAL  36          HG11      VAL  36   0.336  -7.162  -7.162
  265   1HG2  VAL  36          HG22      VAL  36  -0.930  -3.997  -3.997
  266   2HG2  VAL  36          HG21      VAL  36  -1.504  -4.115  -4.115
  267   3HG2  VAL  36          HG23      VAL  36  -2.007  -5.312  -5.312
  268    H    CYS  37           HN       CYS  37   2.548  -7.464  -7.464
  269    HA   CYS  37           HA       CYS  37   4.733  -8.280  -8.280
  270   1HB   CYS  37           HB2      CYS  37   2.992  -9.498  -9.498
  271   2HB   CYS  37           HB1      CYS  37   3.933  -8.697  -8.697
  272    HG   CYS  37           HG       CYS  37   4.828 -11.180 -11.180
  273    H    PHE  38           HN       PHE  38   4.964  -5.631  -5.631
  274    HA   PHE  38           HA       PHE  38   6.027  -4.632  -4.632
  275   1HB   PHE  38           HB2      PHE  38   5.983  -2.498  -2.498
  276   2HB   PHE  38           HB1      PHE  38   4.524  -3.350  -3.350
  277    HD1  PHE  38           HD1      PHE  38   6.103  -5.108  -5.108
  278    HD2  PHE  38           HD2      PHE  38   6.057  -0.918  -0.918
  279    HE1  PHE  38           HE1      PHE  38   6.736  -4.578  -4.578
  280    HE2  PHE  38           HE2      PHE  38   6.697  -0.395  -0.395
  281    HZ   PHE  38           HZ       PHE  38   7.027  -2.228  -2.228
  282    H    ILE  39           HN       ILE  39   7.979  -2.865  -2.865
  283    HA   ILE  39           HA       ILE  39  10.365  -4.211  -4.211
  284    HB   ILE  39           HB       ILE  39  11.431  -2.418  -2.418
  285   1HG1  ILE  39          HG12      ILE  39   8.907  -1.052  -1.052
  286   2HG1  ILE  39          HG11      ILE  39   9.043  -2.472  -2.472
  287   1HG2  ILE  39          HG21      ILE  39   9.747  -2.172  -2.172
  288   2HG2  ILE  39          HG23      ILE  39   9.456  -0.758  -0.758
  289   3HG2  ILE  39          HG22      ILE  39  11.090  -1.130  -1.130
  290   1HD1  ILE  39          HD13      ILE  39  11.474  -0.769  -0.769
  291   2HD1  ILE  39          HD12      ILE  39  10.123  -0.159  -0.159
  292   3HD1  ILE  39          HD11      ILE  39  10.874  -1.696  -1.696
  293    H    THR  40           HN       THR  40   8.733  -4.200  -4.200
  294    HA   THR  40           HA       THR  40  10.873  -6.064  -6.064
  295    HB   THR  40           HB       THR  40   8.926  -4.278  -4.278
  296    HG1  THR  40           HG1      THR  40  11.696  -4.008  -4.008
  297   1HG2  THR  40          HG23      THR  40  10.346  -6.502  -6.502
  298   2HG2  THR  40          HG22      THR  40  11.335  -5.125  -5.125
  299   3HG2  THR  40          HG21      THR  40   9.650  -5.223  -5.223
  300    H    LYS  41           HN       LYS  41  10.246  -8.050  -8.050
  301    HA   LYS  41           HA       LYS  41   7.708  -9.173  -9.173
  302   1HB   LYS  41           HB2      LYS  41   8.564 -11.162 -11.162
  303   2HB   LYS  41           HB1      LYS  41   9.924 -10.342 -10.342
  304   1HG   LYS  41           HG2      LYS  41  11.015 -10.218 -10.218
  305   2HG   LYS  41           HG1      LYS  41   9.738  -9.300  -9.300
  306   1HD   LYS  41           HD2      LYS  41   9.916 -12.324 -12.324
  307   2HD   LYS  41           HD1      LYS  41  10.171 -11.362 -11.362
  308   1HE   LYS  41           HE2      LYS  41   7.549 -11.009 -11.009
  309   2HE   LYS  41           HE1      LYS  41   7.777 -12.483 -12.483
  310   1HZ   LYS  41           HZ2      LYS  41   8.480  -9.760  -9.760
  311   2HZ   LYS  41           HZ1      LYS  41   6.921 -10.405 -10.405
  312   3HZ   LYS  41           HZ3      LYS  41   8.251 -11.172 -11.172
  313    H    GLY  42           HN       GLY  42   8.724  -7.422  -7.422
  314   1HA   GLY  42           HA2      GLY  42   6.738  -8.482  -8.482
  315   2HA   GLY  42           HA1      GLY  42   7.642  -6.974  -6.974
  316    H    LEU  43           HN       LEU  43   6.144  -6.909  -6.909
  317    HA   LEU  43           HA       LEU  43   4.180  -5.921  -5.921
  318   1HB   LEU  43           HB2      LEU  43   3.497  -7.406  -7.406
  319   2HB   LEU  43           HB1      LEU  43   2.363  -6.147  -6.147
  320    HG   LEU  43           HG       LEU  43   2.009  -7.167  -7.167
  321   1HD1  LEU  43          HD13      LEU  43   4.335  -7.653  -7.653
  322   2HD1  LEU  43          HD12      LEU  43   4.198  -9.112  -9.112
  323   3HD1  LEU  43          HD11      LEU  43   3.182  -8.909  -8.909
  324   1HD2  LEU  43          HD21      LEU  43   2.427  -9.324  -9.324
  325   2HD2  LEU  43          HD23      LEU  43   0.965  -8.350  -8.350
  326   3HD2  LEU  43          HD22      LEU  43   1.396  -9.509  -9.509
  327    H    GLY  44           HN       GLY  44   6.181  -4.282  -4.282
  328   1HA   GLY  44           HA2      GLY  44   6.298  -2.010  -2.010
  329   2HA   GLY  44           HA1      GLY  44   4.729  -1.827  -1.827
  330    H    ILE  45           HN       ILE  45   4.926  -4.329  -4.329
  331    HA   ILE  45           HA       ILE  45   2.885  -3.217  -3.217
  332    HB   ILE  45           HB       ILE  45   3.726  -4.973  -4.973
  333   1HG1  ILE  45          HG12      ILE  45   5.373  -6.535  -6.535
  334   2HG1  ILE  45          HG11      ILE  45   5.977  -4.921  -4.921
  335   1HG2  ILE  45          HG21      ILE  45   3.004  -5.502  -5.502
  336   2HG2  ILE  45          HG23      ILE  45   3.359  -6.859  -6.859
  337   3HG2  ILE  45          HG22      ILE  45   2.045  -5.751  -5.751
  338   1HD1  ILE  45          HD12      ILE  45   5.467  -5.131  -5.131
  339   2HD1  ILE  45          HD11      ILE  45   6.291  -6.612  -6.612
  340   3HD1  ILE  45          HD13      ILE  45   7.047  -5.045  -5.045
  341    H    SER  46           HN       SER  46   6.437  -3.311  -3.311
  342    HA   SER  46           HA       SER  46   6.488  -0.674  -0.674
  343   1HB   SER  46           HB2      SER  46   6.604  -1.301  -1.301
  344   2HB   SER  46           HB1      SER  46   5.059  -1.792  -1.792
  345    HG   SER  46           HG       SER  46   7.090  -3.294  -3.294
  346    H    TYR  47           HN       TYR  47   8.218  -2.617  -2.617
  347    HA   TYR  47           HA       TYR  47  10.554  -3.175  -3.175
  348   1HB   TYR  47           HB2      TYR  47  11.518  -3.906  -3.906
  349   2HB   TYR  47           HB1      TYR  47   9.866  -4.508  -4.508
  350    HD1  TYR  47           HD1      TYR  47  11.792  -1.657  -1.657
  351    HD2  TYR  47           HD2      TYR  47   8.267  -4.101  -4.101
  352    HE1  TYR  47           HE1      TYR  47  11.128  -0.598  -0.598
  353    HE2  TYR  47           HE2      TYR  47   7.603  -3.047  -3.047
  354    HH   TYR  47           HH       TYR  47   8.990  -0.207  -0.207
  355    H    GLY  48           HN       GLY  48   9.386  -0.360  -0.360
  356   1HA   GLY  48           HA2      GLY  48  10.563   1.763   1.763
  357   2HA   GLY  48           HA1      GLY  48  12.092   0.936   0.936
  358    H    ARG  49           HN       ARG  49   8.996   1.567   1.567
  359    HA   ARG  49           HA       ARG  49   9.904   1.067   1.067
  360   1HB   ARG  49           HB2      ARG  49   7.757   2.864   2.864
  361   2HB   ARG  49           HB1      ARG  49   7.872   2.257   2.257
  362   1HG   ARG  49           HG2      ARG  49   7.536   0.003   0.003
  363   2HG   ARG  49           HG1      ARG  49   7.599   0.468   0.468
  364   1HD   ARG  49           HD2      ARG  49   5.292   0.319   0.319
  365   2HD   ARG  49           HD1      ARG  49   5.603   2.048   2.048
  366    HE   ARG  49           HE       ARG  49   5.880   0.307   0.307
  367   1HH1  ARG  49          HH21      ARG  49   5.676   2.391   2.391
  368   2HH1  ARG  49          HH22      ARG  49   4.084   3.068   3.068
  369   1HH2  ARG  49          HH11      ARG  49   3.150   1.312   1.312
  370   2HH2  ARG  49          HH12      ARG  49   2.651   2.458   2.458
  371    H    LYS  50           HN       LYS  50  10.264   2.692   2.692
  372    HA   LYS  50           HA       LYS  50  11.545   5.187   5.187
  373   1HB   LYS  50           HB2      LYS  50  13.052   4.925   4.925
  374   2HB   LYS  50           HB1      LYS  50  13.151   3.593   3.593
  375   1HG   LYS  50           HG2      LYS  50  11.114   3.257   3.257
  376   2HG   LYS  50           HG1      LYS  50  12.778   3.302   3.302
  377   1HD   LYS  50           HD2      LYS  50  11.687   1.443   1.443
  378   2HD   LYS  50           HD1      LYS  50  12.015   1.010   1.010
  379   1HE   LYS  50           HE2      LYS  50  14.451   1.904   1.904
  380   2HE   LYS  50           HE1      LYS  50  13.949   1.709   1.709
  381   1HZ   LYS  50           HZ3      LYS  50  13.621  -0.397  -0.397
  382   2HZ   LYS  50           HZ2      LYS  50  14.922  -0.343  -0.343
  383   3HZ   LYS  50           HZ1      LYS  50  13.337  -0.543  -0.543
  384    H    LYS  51           HN       LYS  51   9.013   3.963   3.963
  385    HA   LYS  51           HA       LYS  51   7.378   5.060   5.060
  386   1HB   LYS  51           HB2      LYS  51   8.903   7.602   7.602
  387   2HB   LYS  51           HB1      LYS  51   7.316   7.472   7.472
  388   1HG   LYS  51           HG2      LYS  51   7.646   5.717   5.717
  389   2HG   LYS  51           HG1      LYS  51   7.931   7.405   7.405
  390   1HD   LYS  51           HD2      LYS  51   5.656   7.500   7.500
  391   2HD   LYS  51           HD1      LYS  51   5.657   7.565   7.565
  392   1HE   LYS  51           HE2      LYS  51   5.087   5.321   5.321
  393   2HE   LYS  51           HE1      LYS  51   5.771   4.860   4.860
  394   1HZ   LYS  51           HZ3      LYS  51   3.390   6.605   6.605
  395   2HZ   LYS  51           HZ2      LYS  51   3.347   4.984   4.984
  396   3HZ   LYS  51           HZ1      LYS  51   4.060   6.165   6.165
  397    H    ARG  52           HN       ARG  52  10.650   6.423   6.423
  398    HA   ARG  52           HA       ARG  52  10.013   6.922   6.922
  399   1HB   ARG  52           HB2      ARG  52  12.742   6.812   6.812
  400   2HB   ARG  52           HB1      ARG  52  12.256   7.771   7.771
  401   1HG   ARG  52           HG2      ARG  52  11.618   8.139   8.139
  402   2HG   ARG  52           HG1      ARG  52  12.327   9.320   9.320
  403   1HD   ARG  52           HD2      ARG  52   9.403   8.414   8.414
  404   2HD   ARG  52           HD1      ARG  52  10.061  10.031  10.031
  405    HE   ARG  52           HE       ARG  52   9.423   8.866   8.866
  406   1HH1  ARG  52          HH21      ARG  52  11.663   8.804   8.804
  407   2HH1  ARG  52          HH22      ARG  52  12.327  10.396  10.396
  408   1HH2  ARG  52          HH11      ARG  52  10.364  11.745  11.745
  409   2HH2  ARG  52          HH12      ARG  52  11.589  12.065  12.065
  410    H    ARG  53           HN       ARG  53  10.623   4.076   4.076
  411    HA   ARG  53           HA       ARG  53  12.515   2.644   2.644
  412   1HB   ARG  53           HB2      ARG  53  11.347   0.689   0.689
  413   2HB   ARG  53           HB1      ARG  53  11.357   1.920   1.920
  414   1HG   ARG  53           HG2      ARG  53   8.946   2.017   2.017
  415   2HG   ARG  53           HG1      ARG  53   9.113   0.581   0.581
  416   1HD   ARG  53           HD2      ARG  53   9.553   2.312   2.312
  417   2HD   ARG  53           HD1      ARG  53   8.785   3.424   3.424
  418    HE   ARG  53           HE       ARG  53   7.427   1.253   1.253
  419   1HH1  ARG  53          HH21      ARG  53   6.903   0.417   0.417
  420   2HH1  ARG  53          HH22      ARG  53   5.568   1.402   1.402
  421   1HH2  ARG  53          HH11      ARG  53   6.005   3.736   3.736
  422   2HH2  ARG  53          HH12      ARG  53   5.060   3.284   3.284
  423    H    GLN  54           HN       GLN  54   9.256   3.655   3.655
  424    HA   GLN  54           HA       GLN  54   8.672   1.801   1.801
  425   1HB   GLN  54           HB2      GLN  54   7.888   4.731   4.731
  426   2HB   GLN  54           HB1      GLN  54   7.122   3.554   3.554
  427   1HG   GLN  54           HG2      GLN  54   6.515   2.113   2.113
  428   2HG   GLN  54           HG1      GLN  54   7.247   3.222   3.222
  429   1HE2  GLN  54          HE22      GLN  54   4.680   5.768   5.768
  430   2HE2  GLN  54          HE21      GLN  54   6.377   5.668   5.668
  431    H    ARG  55           HN       ARG  55  10.523   4.848   4.848
  432    HA   ARG  55           HA       ARG  55  11.945   5.797   5.797
  433   1HB   ARG  55           HB2      ARG  55  11.908   2.898   2.898
  434   2HB   ARG  55           HB1      ARG  55  13.052   4.130   4.130
  435   1HG   ARG  55           HG2      ARG  55  13.909   4.359   4.359
  436   2HG   ARG  55           HG1      ARG  55  12.652   3.292   3.292
  437   1HD   ARG  55           HD2      ARG  55  13.555   1.448   1.448
  438   2HD   ARG  55           HD1      ARG  55  14.904   2.522   2.522
  439    HE   ARG  55           HE       ARG  55  14.637   2.542   2.542
  440   1HH1  ARG  55          HH11      ARG  55  17.171   1.871   1.871
  441   2HH1  ARG  55          HH12      ARG  55  17.447   0.232   0.232
  442   1HH2  ARG  55          HH21      ARG  55  14.221  -0.229  -0.229
  443   2HH2  ARG  55          HH22      ARG  55  15.772  -0.960  -0.960
  444    H    ARG  56           HN       ARG  56   8.897   5.393   5.393
  445    HA   ARG  56           HA       ARG  56   8.908   6.438   6.438
  446   1HB   ARG  56           HB2      ARG  56   7.598   4.644   4.644
  447   2HB   ARG  56           HB1      ARG  56   8.945   3.891   3.891
  448   1HG   ARG  56           HG2      ARG  56   7.057   4.096   4.096
  449   2HG   ARG  56           HG1      ARG  56   6.054   3.800   3.800
  450   1HD   ARG  56           HD2      ARG  56   8.527   2.165   2.165
  451   2HD   ARG  56           HD1      ARG  56   7.018   1.777   1.777
  452    HE   ARG  56           HE       ARG  56   6.198   2.095   2.095
  453   1HH1  ARG  56          HH11      ARG  56   9.280   1.081   1.081
  454   2HH1  ARG  56          HH12      ARG  56   8.999  -0.545  -0.545
  455   1HH2  ARG  56          HH21      ARG  56   5.555  -0.376  -0.376
  456   2HH2  ARG  56          HH22      ARG  56   6.883  -1.368  -1.368
  457    H    ARG  57           HN       ARG  57   8.200   7.593   7.593
  458    HA   ARG  57           HA       ARG  57   5.522   7.481   7.481
  459   1HB   ARG  57           HB2      ARG  57   7.374   8.668   8.668
  460   2HB   ARG  57           HB1      ARG  57   7.385   9.889   9.889
  461   1HG   ARG  57           HG2      ARG  57   6.078  10.909  10.909
  462   2HG   ARG  57           HG1      ARG  57   4.829  10.158  10.158
  463   1HD   ARG  57           HD2      ARG  57   4.830   8.204   8.204
  464   2HD   ARG  57           HD1      ARG  57   6.015   9.023   9.023
  465    HE   ARG  57           HE       ARG  57   3.362  10.293  10.293
  466   1HH1  ARG  57          HH11      ARG  57   5.901  11.292  11.292
  467   2HH1  ARG  57          HH12      ARG  57   5.194  11.268  11.268
  468   1HH2  ARG  57          HH21      ARG  57   2.405   9.445   9.445
  469   2HH2  ARG  57          HH22      ARG  57   3.211  10.220  10.220
  470    HA   PRO  58           HA       PRO  58   4.402  10.786  10.786
  471   1HB   PRO  58           HB2      PRO  58   6.080  11.072  11.072
  472   2HB   PRO  58           HB1      PRO  58   6.221  12.032  12.032
  473   1HG   PRO  58           HG2      PRO  58   7.764   9.637   9.637
  474   2HG   PRO  58           HG1      PRO  58   8.326  11.096  11.096
  475   1HD   PRO  58           HD2      PRO  58   7.904   8.727   8.727
  476   2HD   PRO  58           HD1      PRO  58   7.802  10.242  10.242
  477    H    SER  59           HN       SER  59   5.654   7.625   7.625
  478    HA   SER  59           HA       SER  59   4.447   7.300   7.300
  479   1HB   SER  59           HB2      SER  59   5.453   5.306   5.306
  480   2HB   SER  59           HB1      SER  59   5.029   4.938   4.938
  481    HG   SER  59           HG       SER  59   6.939   5.566   5.566
  482    H    GLN  60           HN       GLN  60   2.731   5.688   5.688
  483    HA   GLN  60           HA       GLN  60   0.960   4.456   4.456
  484   1HB   GLN  60           HB2      GLN  60   0.565   6.537   6.537
  485   2HB   GLN  60           HB1      GLN  60   0.180   7.425   7.425
  486   1HG   GLN  60           HG2      GLN  60  -1.683   5.571   5.571
  487   2HG   GLN  60           HG1      GLN  60  -1.119   5.186   5.186
  488   1HE2  GLN  60          HE22      GLN  60  -2.053   9.002   9.002
  489   2HE2  GLN  60          HE21      GLN  60  -0.522   8.374   8.374
  490    H    GLY  61           HN       GLY  61  -0.717   6.761   6.761
  491   1HA   GLY  61           HA2      GLY  61  -1.532   6.684   6.684
  492   2HA   GLY  61           HA1      GLY  61  -0.589   5.175   5.175
  493    H    GLY  62           HN       GLY  62  -2.949   6.126   6.126
  494   1HA   GLY  62           HA2      GLY  62  -4.907   5.078   5.078
  495   2HA   GLY  62           HA1      GLY  62  -5.069   4.432   4.432
  496    H    GLN  63           HN       GLN  63  -2.113   3.931   3.931
  497    HA   GLN  63           HA       GLN  63  -2.426   1.071   1.071
  498   1HB   GLN  63           HB2      GLN  63  -0.376   0.920   0.920
  499   2HB   GLN  63           HB1      GLN  63  -0.257   2.424   2.424
  500   1HG   GLN  63           HG2      GLN  63  -0.255   3.480   3.480
  501   2HG   GLN  63           HG1      GLN  63  -0.547   1.902   1.902
  502   1HE2  GLN  63          HE22      GLN  63   2.807   0.996   0.996
  503   2HE2  GLN  63          HE21      GLN  63   1.236   0.889   0.889
  504    H    THR  64           HN       THR  64  -3.685   3.162   3.162
  505    HA   THR  64           HA       THR  64  -4.785   2.787   2.787
  506    HB   THR  64           HB       THR  64  -4.093  -0.059  -0.059
  507    HG1  THR  64           HG1      THR  64  -6.413   1.488   1.488
  508   1HG2  THR  64          HG22      THR  64  -5.685   1.188   1.188
  509   2HG2  THR  64          HG21      THR  64  -6.373  -0.244  -0.244
  510   3HG2  THR  64          HG23      THR  64  -4.782  -0.328  -0.328
  511    H    HIS  65           HN       HIS  65  -2.501   3.814   3.814
  512    HA   HIS  65           HA       HIS  65  -0.622   2.112   2.112
  513   1HB   HIS  65           HB2      HIS  65  -0.977   4.975   4.975
  514   2HB   HIS  65           HB1      HIS  65  -0.204   4.631   4.631
  515    HD1  HIS  65           HD1      HIS  65   0.789   5.405   5.405
  516    HD2  HIS  65           HD2      HIS  65   1.816   2.213   2.213
  517    HE1  HIS  65           HE1      HIS  65   2.976   4.497   4.497
  518    H    GLN  66           HN       GLN  66  -0.132   3.201   3.201
  519    HA   GLN  66           HA       GLN  66  -2.711   3.354   3.354
  520   1HB   GLN  66           HB2      GLN  66  -0.358   1.562   1.562
  521   2HB   GLN  66           HB1      GLN  66  -1.530   1.773   1.773
  522   1HG   GLN  66           HG2      GLN  66  -2.816   0.246   0.246
  523   2HG   GLN  66           HG1      GLN  66  -3.055   1.252   1.252
  524   1HE2  GLN  66          HE22      GLN  66  -0.239  -0.493  -0.493
  525   2HE2  GLN  66          HE21      GLN  66  -0.721   1.101   1.101
  526    H    ASP  67           HN       ASP  67   0.825   3.464   3.464
  527    HA   ASP  67           HA       ASP  67   0.604   5.320   5.320
  528   1HB   ASP  67           HB2      ASP  67   2.310   3.603   3.603
  529   2HB   ASP  67           HB1      ASP  67   2.867   4.259   4.259
  530    HA   PRO  68           HA       PRO  68   2.443   8.367   8.367
  531   1HB   PRO  68           HB2      PRO  68   2.019   7.878   7.878
  532   2HB   PRO  68           HB1      PRO  68   3.430   7.277   7.277
  533   1HG   PRO  68           HG2      PRO  68   0.980   5.917   5.917
  534   2HG   PRO  68           HG1      PRO  68   2.605   5.228   5.228
  535   1HD   PRO  68           HD2      PRO  68   0.713   4.784   4.784
  536   2HD   PRO  68           HD1      PRO  68   2.462   4.633   4.633
  537    H    ILE  69           HN       ILE  69  -0.671   6.818   6.818
  538    HA   ILE  69           HA       ILE  69  -1.835   9.579   9.579
  539    HB   ILE  69           HB       ILE  69  -2.775   9.234   9.234
  540   1HG1  ILE  69          HG12      ILE  69  -4.240   7.309   7.309
  541   2HG1  ILE  69          HG11      ILE  69  -3.110   6.947   6.947
  542   1HG2  ILE  69          HG23      ILE  69  -0.253   8.871   8.871
  543   2HG2  ILE  69          HG22      ILE  69  -0.598   7.143   7.143
  544   3HG2  ILE  69          HG21      ILE  69  -1.170   8.251   8.251
  545   1HD1  ILE  69          HD11      ILE  69  -1.572   5.853   5.853
  546   2HD1  ILE  69          HD13      ILE  69  -2.863   5.926   5.926
  547   3HD1  ILE  69          HD12      ILE  69  -3.093   5.012   5.012
  548    HA   PRO  70           HA       PRO  70  -4.228   6.439   6.439
  549   1HB   PRO  70           HB2      PRO  70  -3.611   7.599   7.599
  550   2HB   PRO  70           HB1      PRO  70  -2.702   6.215   6.215
  551   1HG   PRO  70           HG2      PRO  70  -2.136   9.161   9.161
  552   2HG   PRO  70           HG1      PRO  70  -1.022   7.811   7.811
  553   1HD   PRO  70           HD2      PRO  70  -1.122   9.120   9.120
  554   2HD   PRO  70           HD1      PRO  70  -0.873   7.340   7.340
  555    H    LYS  71           HN       LYS  71  -4.079   9.768   9.768
  556    HA   LYS  71           HA       LYS  71  -6.285  10.587  10.587
  557   1HB   LYS  71           HB2      LYS  71  -6.011  12.741  12.741
  558   2HB   LYS  71           HB1      LYS  71  -4.536  12.156  12.156
  559   1HG   LYS  71           HG2      LYS  71  -4.476  11.006  11.006
  560   2HG   LYS  71           HG1      LYS  71  -5.099  12.640  12.640
  561   1HD   LYS  71           HD2      LYS  71  -2.801  12.830  12.830
  562   2HD   LYS  71           HD1      LYS  71  -3.209  13.509  13.509
  563   1HE   LYS  71           HE2      LYS  71  -2.430  11.483  11.483
  564   2HE   LYS  71           HE1      LYS  71  -2.264  10.635  10.635
  565   1HZ   LYS  71           HZ3      LYS  71  -0.704  12.414  12.414
  566   2HZ   LYS  71           HZ2      LYS  71  -0.772  13.063  13.063
  567   3HZ   LYS  71           HZ1      LYS  71  -0.129  11.513  11.513
  568    H    GLN  72           HN       GLN  72  -5.896   9.634   9.634
  569    HA   GLN  72           HA       GLN  72  -8.779   9.173   9.173
  570   1HB   GLN  72           HB2      GLN  72  -8.532  10.825  10.825
  571   2HB   GLN  72           HB1      GLN  72  -9.132  11.351  11.351
  572   1HG   GLN  72           HG2      GLN  72  -7.570  12.941  12.941
  573   2HG   GLN  72           HG1      GLN  72  -6.639  11.946  11.946
  574   1HE2  GLN  72          HE22      GLN  72  -4.507  10.861  10.861
  575   2HE2  GLN  72          HE21      GLN  72  -5.017  10.441  10.441
  576    HA   PRO  73           HA       PRO  73  -7.516   6.355   6.355
  577   1HB   PRO  73           HB2      PRO  73  -9.174   6.894   6.894
  578   2HB   PRO  73           HB1      PRO  73  -9.703   6.020   6.020
  579   1HG   PRO  73           HG2      PRO  73  -9.972   8.953   8.953
  580   2HG   PRO  73           HG1      PRO  73 -11.207   7.826   7.826
  581   1HD   PRO  73           HD2      PRO  73  -9.962   9.541   9.541
  582   2HD   PRO  73           HD1      PRO  73 -10.298   7.894   7.894
  583    H    SER  74           HN       SER  74  -8.260   9.450   9.450
  584    HA   SER  74           HA       SER  74  -6.971  10.806  10.806
  585   1HB   SER  74           HB2      SER  74  -5.034  11.284  11.284
  586   2HB   SER  74           HB1      SER  74  -5.476   9.963   9.963
  587    HG   SER  74           HG       SER  74  -4.040   8.715   8.715
  588    H    SER  75           HN       SER  75  -6.322  10.709  10.709
  589    HA   SER  75           HA       SER  75  -5.400   9.829   9.829
  590   1HB   SER  75           HB2      SER  75  -3.996   8.552   8.552
  591   2HB   SER  75           HB1      SER  75  -4.794   7.178   7.178
  592    HG   SER  75           HG       SER  75  -3.831   7.692   7.692
  593    H    GLN  76           HN       GLN  76  -7.646   7.845   7.845
  594    HA   GLN  76           HA       GLN  76  -8.628   6.668   6.668
  595   1HB   GLN  76           HB2      GLN  76  -9.776   5.007   5.007
  596   2HB   GLN  76           HB1      GLN  76  -7.995   5.077   5.077
  597   1HG   GLN  76           HG2      GLN  76  -8.779   6.834   6.834
  598   2HG   GLN  76           HG1      GLN  76  -9.816   5.409   5.409
  599   1HE2  GLN  76          HE22      GLN  76  -5.707   5.204   5.204
  600   2HE2  GLN  76          HE21      GLN  76  -6.401   6.395   6.395
  601    HA   PRO  77           HA       PRO  77 -12.558   8.585   8.585
  602   1HB   PRO  77           HB2      PRO  77 -12.262  10.858  10.858
  603   2HB   PRO  77           HB1      PRO  77 -12.297   9.227   9.227
  604   1HG   PRO  77           HG2      PRO  77  -9.987  11.009  11.009
  605   2HG   PRO  77           HG1      PRO  77 -10.249   9.913   9.913
  606   1HD   PRO  77           HD2      PRO  77  -8.669   9.449   9.449
  607   2HD   PRO  77           HD1      PRO  77  -9.360   8.228   8.228
  608    H    ARG  78           HN       ARG  78  -9.752  10.493  10.493
  609    HA   ARG  78           HA       ARG  78 -11.426  12.058  12.058
  610   1HB   ARG  78           HB2      ARG  78  -9.919  13.982  13.982
  611   2HB   ARG  78           HB1      ARG  78 -10.857  13.418  13.418
  612   1HG   ARG  78           HG2      ARG  78  -8.762  12.017  12.017
  613   2HG   ARG  78           HG1      ARG  78  -7.938  12.902  12.902
  614   1HD   ARG  78           HD2      ARG  78  -9.435  14.381  14.381
  615   2HD   ARG  78           HD1      ARG  78  -7.775  13.805  13.805
  616    HE   ARG  78           HE       ARG  78  -8.018  15.135  15.135
  617   1HH1  ARG  78          HH11      ARG  78  -9.318  16.937  16.937
  618   2HH1  ARG  78          HH12      ARG  78  -7.973  17.953  17.953
  619   1HH2  ARG  78          HH21      ARG  78  -5.624  15.900  15.900
  620   2HH2  ARG  78          HH22      ARG  78  -5.878  17.365  17.365
  621    H    GLY  79           HN       GLY  79  -8.268  10.561  10.561
  622   1HA   GLY  79           HA2      GLY  79  -7.028  11.334  11.334
  623   2HA   GLY  79           HA1      GLY  79  -6.450  10.196  10.196
  624    H    ASP  80           HN       ASP  80  -6.010   8.339   8.339
  625    HA   ASP  80           HA       ASP  80  -7.709   7.297   7.297
  626   1HB   ASP  80           HB2      ASP  80  -5.424   6.198   6.198
  627   2HB   ASP  80           HB1      ASP  80  -6.204   5.286   5.286
  628    HA   PRO  81           HA       PRO  81 -10.649   5.814   5.814
  629   1HB   PRO  81           HB2      PRO  81 -12.417   4.731   4.731
  630   2HB   PRO  81           HB1      PRO  81 -12.307   6.464   6.464
  631   1HG   PRO  81           HG2      PRO  81 -11.071   4.957   4.957
  632   2HG   PRO  81           HG1      PRO  81 -11.973   6.482   6.482
  633   1HD   PRO  81           HD2      PRO  81  -9.299   6.444   6.444
  634   2HD   PRO  81           HD1      PRO  81 -10.184   7.705   7.705
  635    H    THR  82           HN       THR  82  -9.934   4.043   4.043
  636    HA   THR  82           HA       THR  82  -8.744   1.696   1.696
  637    HB   THR  82           HB       THR  82  -9.296   0.798   0.798
  638    HG1  THR  82           HG1      THR  82 -10.922   1.993   1.993
  639   1HG2  THR  82          HG22      THR  82  -7.658   3.235   3.235
  640   2HG2  THR  82          HG21      THR  82  -7.750   2.662   2.662
  641   3HG2  THR  82          HG23      THR  82  -7.118   1.606   1.606
  642    H    GLY  83           HN       GLY  83 -12.065   2.523   2.523
  643   1HA   GLY  83           HA2      GLY  83 -13.423   0.932   0.932
  644   2HA   GLY  83           HA1      GLY  83 -13.100  -0.164  -0.164
  645    HA   PRO  84           HA       PRO  84 -16.544   1.828   1.828
  646   1HB   PRO  84           HB2      PRO  84 -16.389   0.487   0.487
  647   2HB   PRO  84           HB1      PRO  84 -16.902  -0.273  -0.273
  648   1HG   PRO  84           HG2      PRO  84 -14.444  -0.667  -0.667
  649   2HG   PRO  84           HG1      PRO  84 -15.089  -1.613  -1.613
  650   1HD   PRO  84           HD2      PRO  84 -13.108   0.503   0.503
  651   2HD   PRO  84           HD1      PRO  84 -13.290  -0.691  -0.691
  652    H    LYS  85           HN       LYS  85 -13.363   2.550   2.550
  653    HA   LYS  85           HA       LYS  85 -14.100   4.046   4.046
  654   1HB   LYS  85           HB2      LYS  85 -11.461   3.820   3.820
  655   2HB   LYS  85           HB1      LYS  85 -11.700   4.333   4.333
  656   1HG   LYS  85           HG2      LYS  85 -12.071   1.565   1.565
  657   2HG   LYS  85           HG1      LYS  85 -10.976   2.068   2.068
  658   1HD   LYS  85           HD2      LYS  85 -14.020   2.075   2.075
  659   2HD   LYS  85           HD1      LYS  85 -12.955   0.865   0.865
  660   1HE   LYS  85           HE2      LYS  85 -11.887   2.560   2.560
  661   2HE   LYS  85           HE1      LYS  85 -12.922   3.816   3.816
  662   1HZ   LYS  85           HZ3      LYS  85 -13.891   1.344   1.344
  663   2HZ   LYS  85           HZ2      LYS  85 -13.886   2.896   2.896
  664   3HZ   LYS  85           HZ1      LYS  85 -14.866   2.568   2.568
  665    H    GLU  86           HN       GLU  86 -15.022   4.845   4.845
  666    HA   GLU  86           HA       GLU  86 -13.607   7.324   7.324
  667   1HB   GLU  86           HB2      GLU  86 -16.115   5.915   5.915
  668   2HB   GLU  86           HB1      GLU  86 -15.696   7.530   7.530
  669   1HG   GLU  86           HG2      GLU  86 -13.412   6.511   6.511
  670   2HG   GLU  86           HG1      GLU  86 -14.162   4.939   4.939

  Start of MODEL    5
    1   1H    LEU   1           HT3      LEU   1  12.990 -12.584 -12.584
    2   2H    LEU   1           HT2      LEU   1  11.437 -13.190 -13.190
    3   3H    LEU   1           HT1      LEU   1  12.466 -12.738 -12.738
    4    HA   LEU   1           HA       LEU   1  10.853 -11.006 -11.006
    5   1HB   LEU   1           HB2      LEU   1  10.477 -10.021 -10.021
    6   2HB   LEU   1           HB1      LEU   1  10.286 -11.778 -11.778
    7    HG   LEU   1           HG       LEU   1  13.040 -11.172 -11.172
    8   1HD1  LEU   1          HD12      LEU   1  11.178  -9.177  -9.177
    9   2HD1  LEU   1          HD11      LEU   1  12.334  -9.874  -9.874
   10   3HD1  LEU   1          HD13      LEU   1  12.909  -9.061  -9.061
   11   1HD2  LEU   1          HD23      LEU   1  10.751 -12.167 -12.167
   12   2HD2  LEU   1          HD22      LEU   1  12.039 -13.103 -13.103
   13   3HD2  LEU   1          HD21      LEU   1  12.400 -12.057 -12.057
   14    H    ASP   2           HN       ASP   2  11.393  -8.619  -8.619
   15    HA   ASP   2           HA       ASP   2  12.835  -6.842  -6.842
   16   1HB   ASP   2           HB2      ASP   2  13.329  -7.696  -7.696
   17   2HB   ASP   2           HB1      ASP   2  14.833  -8.271  -8.271
   18    HA   PRO   3           HA       PRO   3  15.546  -9.352  -9.352
   19   1HB   PRO   3           HB2      PRO   3  14.010  -9.367  -9.367
   20   2HB   PRO   3           HB1      PRO   3  13.888 -10.599 -10.599
   21   1HG   PRO   3           HG2      PRO   3  12.011  -8.439  -8.439
   22   2HG   PRO   3           HG1      PRO   3  11.755  -9.946  -9.946
   23   1HD   PRO   3           HD2      PRO   3  12.201  -7.313  -7.313
   24   2HD   PRO   3           HD1      PRO   3  11.780  -8.798  -8.798
   25    H    VAL   4           HN       VAL   4  13.623  -7.325  -7.325
   26    HA   VAL   4           HA       VAL   4  15.889  -5.613  -5.613
   27    HB   VAL   4           HB       VAL   4  12.897  -5.690  -5.690
   28   1HG1  VAL   4          HG13      VAL   4  13.890  -3.287  -3.287
   29   2HG1  VAL   4          HG12      VAL   4  14.714  -3.855  -3.855
   30   3HG1  VAL   4          HG11      VAL   4  12.954  -3.875  -3.875
   31   1HG2  VAL   4          HG23      VAL   4  15.351  -6.511  -6.511
   32   2HG2  VAL   4          HG22      VAL   4  13.806  -7.338  -7.338
   33   3HG2  VAL   4          HG21      VAL   4  13.946  -5.972  -5.972
   34    H    ASP   5           HN       ASP   5  12.758  -5.146  -5.146
   35    HA   ASP   5           HA       ASP   5  13.821  -3.432  -3.432
   36   1HB   ASP   5           HB2      ASP   5  12.589  -2.352  -2.352
   37   2HB   ASP   5           HB1      ASP   5  11.778  -1.830  -1.830
   38    HA   PRO   6           HA       PRO   6   9.475  -4.907  -4.907
   39   1HB   PRO   6           HB2      PRO   6   7.483  -4.685  -4.685
   40   2HB   PRO   6           HB1      PRO   6   8.057  -3.286  -3.286
   41   1HG   PRO   6           HG2      PRO   6   8.424  -3.783  -3.783
   42   2HG   PRO   6           HG1      PRO   6   8.669  -2.315  -2.315
   43   1HD   PRO   6           HD2      PRO   6  10.518  -4.349  -4.349
   44   2HD   PRO   6           HD1      PRO   6  10.753  -2.646  -2.646
   45    H    ASN   7           HN       ASN   7   7.664  -6.742  -6.742
   46    HA   ASN   7           HA       ASN   7   9.338  -8.927  -8.927
   47   1HB   ASN   7           HB2      ASN   7   6.368  -8.567  -8.567
   48   2HB   ASN   7           HB1      ASN   7   7.086 -10.110 -10.110
   49   1HD2  ASN   7          HD22      ASN   7   7.354  -9.002  -9.002
   50   2HD2  ASN   7          HD21      ASN   7   6.402  -8.152  -8.152
   51    H    ILE   8           HN       ILE   8   6.574  -7.142  -7.142
   52    HA   ILE   8           HA       ILE   8   7.690  -7.731  -7.731
   53    HB   ILE   8           HB       ILE   8   5.576  -8.505  -8.505
   54   1HG1  ILE   8          HG12      ILE   8   4.145  -6.812  -6.812
   55   2HG1  ILE   8          HG11      ILE   8   3.509  -8.440  -8.440
   56   1HG2  ILE   8          HG23      ILE   8   6.090  -9.656  -9.656
   57   2HG2  ILE   8          HG22      ILE   8   5.016 -10.384 -10.384
   58   3HG2  ILE   8          HG21      ILE   8   6.739 -10.235 -10.235
   59   1HD1  ILE   8          HD12      ILE   8   4.847  -8.571  -8.571
   60   2HD1  ILE   8          HD11      ILE   8   4.737  -6.812  -6.812
   61   3HD1  ILE   8          HD13      ILE   8   3.269  -7.789  -7.789
   62    H    GLU   9           HN       GLU   9   7.270  -5.294  -5.294
   63    HA   GLU   9           HA       GLU   9   6.663  -3.016  -3.016
   64   1HB   GLU   9           HB2      GLU   9   8.366  -3.407  -3.407
   65   2HB   GLU   9           HB1      GLU   9   7.042  -3.622  -3.622
   66   1HG   GLU   9           HG2      GLU   9   6.388  -1.376  -1.376
   67   2HG   GLU   9           HG1      GLU   9   7.088  -1.139  -1.139
   68    HA   PRO  10           HA       PRO  10   2.396  -4.062  -4.062
   69   1HB   PRO  10           HB2      PRO  10   1.174  -4.433  -4.433
   70   2HB   PRO  10           HB1      PRO  10   2.049  -5.649  -5.649
   71   1HG   PRO  10           HG2      PRO  10   2.799  -4.003  -4.003
   72   2HG   PRO  10           HG1      PRO  10   3.234  -5.771  -5.771
   73   1HD   PRO  10           HD2      PRO  10   4.755  -3.419  -3.419
   74   2HD   PRO  10           HD1      PRO  10   5.205  -5.033  -5.033
   75    H    TRP  11           HN       TRP  11   3.415  -1.475  -1.475
   76    HA   TRP  11           HA       TRP  11   1.452   0.029   0.029
   77   1HB   TRP  11           HB2      TRP  11   3.997   0.838   0.838
   78   2HB   TRP  11           HB1      TRP  11   3.156   1.878   1.878
   79    HD1  TRP  11           HD1      TRP  11   5.353  -1.186  -1.186
   80    HE1  TRP  11           HE1      TRP  11   6.188  -1.641  -1.641
   81    HE3  TRP  11           HE3      TRP  11   2.544   2.210   2.210
   82    HZ2  TRP  11           HZ2      TRP  11   5.718  -0.685  -0.685
   83    HZ3  TRP  11           HZ3      TRP  11   2.763   2.408   2.408
   84    HH2  TRP  11           HH2      TRP  11   4.340   0.971   0.971
   85    H    ASN  12           HN       ASN  12   0.724  -1.358  -1.358
   86    HA   ASN  12           HA       ASN  12  -0.334   0.909   0.909
   87   1HB   ASN  12           HB2      ASN  12   0.406  -0.549  -0.549
   88   2HB   ASN  12           HB1      ASN  12   1.584   0.509   0.509
   89   1HD2  ASN  12          HD22      ASN  12   3.320  -2.302  -2.302
   90   2HD2  ASN  12          HD21      ASN  12   2.910  -0.690  -0.690
   91    H    HIS  13           HN       HIS  13  -2.218   0.016   0.016
   92    HA   HIS  13           HA       HIS  13  -3.232  -2.604  -2.604
   93   1HB   HIS  13           HB2      HIS  13  -3.571  -0.867  -0.867
   94   2HB   HIS  13           HB1      HIS  13  -4.792  -2.110  -2.110
   95    HD1  HIS  13           HD1      HIS  13  -3.842  -3.212  -3.212
   96    HD2  HIS  13           HD2      HIS  13  -1.265  -3.340  -3.340
   97    HE1  HIS  13           HE1      HIS  13  -2.108  -4.968  -4.968
   98    HA   PRO  14           HA       PRO  14  -6.396  -0.332  -0.332
   99   1HB   PRO  14           HB2      PRO  14  -7.966  -2.550  -2.550
  100   2HB   PRO  14           HB1      PRO  14  -6.506  -2.138  -2.138
  101   1HG   PRO  14           HG2      PRO  14  -6.983  -4.064  -4.064
  102   2HG   PRO  14           HG1      PRO  14  -6.013  -4.277  -4.277
  103   1HD   PRO  14           HD2      PRO  14  -4.920  -3.698  -3.698
  104   2HD   PRO  14           HD1      PRO  14  -4.166  -3.195  -3.195
  105    H    GLY  15           HN       GLY  15  -6.738  -2.273  -2.273
  106   1HA   GLY  15           HA2      GLY  15  -8.190  -2.181  -2.181
  107   2HA   GLY  15           HA1      GLY  15  -8.985  -0.736  -0.736
  108    H    SER  16           HN       SER  16  -8.474  -3.741  -3.741
  109    HA   SER  16           HA       SER  16 -11.224  -4.734  -4.734
  110   1HB   SER  16           HB2      SER  16 -11.214  -2.967  -2.967
  111   2HB   SER  16           HB1      SER  16 -10.083  -3.999  -3.999
  112    HG   SER  16           HG       SER  16 -12.072  -4.628  -4.628
  113    H    GLN  17           HN       GLN  17  -8.104  -5.550  -5.550
  114    HA   GLN  17           HA       GLN  17  -8.638  -8.315  -8.315
  115   1HB   GLN  17           HB2      GLN  17  -6.992  -6.302  -6.302
  116   2HB   GLN  17           HB1      GLN  17  -6.200  -7.872  -7.872
  117   1HG   GLN  17           HG2      GLN  17  -7.584  -8.971  -8.971
  118   2HG   GLN  17           HG1      GLN  17  -8.995  -8.012  -8.012
  119   1HE2  GLN  17          HE22      GLN  17  -8.192  -5.422  -5.422
  120   2HE2  GLN  17          HE21      GLN  17  -8.882  -5.630  -5.630
  121    HA   PRO  18           HA       PRO  18  -4.571  -8.436  -8.436
  122   1HB   PRO  18           HB2      PRO  18  -3.234  -6.093  -6.093
  123   2HB   PRO  18           HB1      PRO  18  -2.949  -7.076  -7.076
  124   1HG   PRO  18           HG2      PRO  18  -4.596  -4.614  -4.614
  125   2HG   PRO  18           HG1      PRO  18  -3.544  -5.059  -5.059
  126   1HD   PRO  18           HD2      PRO  18  -6.241  -5.210  -5.210
  127   2HD   PRO  18           HD1      PRO  18  -5.198  -6.246  -6.246
  128    H    LYS  19           HN       LYS  19  -6.021  -5.216  -5.216
  129    HA   LYS  19           HA       LYS  19  -5.797  -5.210  -5.210
  130   1HB   LYS  19           HB2      LYS  19  -7.741  -4.169  -4.169
  131   2HB   LYS  19           HB1      LYS  19  -8.040  -3.844  -3.844
  132   1HG   LYS  19           HG2      LYS  19  -5.611  -2.950  -2.950
  133   2HG   LYS  19           HG1      LYS  19  -5.731  -3.049  -3.049
  134   1HD   LYS  19           HD2      LYS  19  -6.694  -1.062  -1.062
  135   2HD   LYS  19           HD1      LYS  19  -8.071  -1.721  -1.721
  136   1HE   LYS  19           HE2      LYS  19  -6.882  -1.230  -1.230
  137   2HE   LYS  19           HE1      LYS  19  -5.577  -0.469  -0.469
  138   1HZ   LYS  19           HZ2      LYS  19  -8.465   0.264   0.264
  139   2HZ   LYS  19           HZ1      LYS  19  -7.271   1.155   1.155
  140   3HZ   LYS  19           HZ3      LYS  19  -7.206   1.004   1.004
  141    H    THR  20           HN       THR  20  -8.388  -6.522  -6.522
  142    HA   THR  20           HA       THR  20  -8.946  -8.729  -8.729
  143    HB   THR  20           HB       THR  20  -9.919  -7.243  -7.243
  144    HG1  THR  20           HG1      THR  20 -12.262  -7.397  -7.397
  145   1HG2  THR  20          HG21      THR  20 -10.884  -5.721  -5.721
  146   2HG2  THR  20          HG23      THR  20 -11.510  -5.403  -5.403
  147   3HG2  THR  20          HG22      THR  20  -9.798  -5.160  -5.160
  148    H    ALA  21           HN       ALA  21 -10.163  -6.581  -6.581
  149    HA   ALA  21           HA       ALA  21 -11.436  -7.113  -7.113
  150   1HB   ALA  21           HB2      ALA  21  -9.468  -9.000  -9.000
  151   2HB   ALA  21           HB1      ALA  21 -10.909 -10.014 -10.014
  152   3HB   ALA  21           HB3      ALA  21 -10.560  -8.949  -8.949
  153    H    CYS  22           HN       CYS  22 -12.573  -7.290  -7.290
  154    HA   CYS  22           HA       CYS  22 -14.726  -7.689  -7.689
  155   1HB   CYS  22           HB2      CYS  22 -15.156  -9.332  -9.332
  156   2HB   CYS  22           HB1      CYS  22 -16.422  -8.572  -8.572
  157    HG   CYS  22           HG       CYS  22 -16.315  -6.662  -6.662
  158    H    ASN  23           HN       ASN  23 -12.439 -10.093 -10.093
  159    HA   ASN  23           HA       ASN  23 -13.899 -12.404 -12.404
  160   1HB   ASN  23           HB2      ASN  23 -12.160 -13.443 -13.443
  161   2HB   ASN  23           HB1      ASN  23 -11.591 -11.810 -11.810
  162   1HD2  ASN  23          HD22      ASN  23  -9.047 -11.587 -11.587
  163   2HD2  ASN  23          HD21      ASN  23 -10.173 -10.662 -10.662
  164    H    ARG  24           HN       ARG  24 -12.077  -9.832  -9.832
  165    HA   ARG  24           HA       ARG  24 -12.237 -11.277 -11.277
  166   1HB   ARG  24           HB2      ARG  24  -9.918 -10.091 -10.091
  167   2HB   ARG  24           HB1      ARG  24  -9.926  -9.959  -9.959
  168   1HG   ARG  24           HG2      ARG  24 -10.007 -12.307 -12.307
  169   2HG   ARG  24           HG1      ARG  24 -10.381 -12.578 -12.578
  170   1HD   ARG  24           HD2      ARG  24  -8.116 -12.964 -12.964
  171   2HD   ARG  24           HD1      ARG  24  -8.227 -11.181 -11.181
  172    HE   ARG  24           HE       ARG  24  -7.417 -10.827 -10.827
  173   1HH1  ARG  24          HH21      ARG  24  -8.885 -12.384 -12.384
  174   2HH1  ARG  24          HH22      ARG  24  -7.861 -13.713 -13.713
  175   1HH2  ARG  24          HH11      ARG  24  -5.743 -13.305 -13.305
  176   2HH2  ARG  24          HH12      ARG  24  -6.077 -14.237 -14.237
  177    H    CYS  25           HN       CYS  25 -10.635  -8.186  -8.186
  178    HA   CYS  25           HA       CYS  25 -11.264  -5.967  -5.967
  179   1HB   CYS  25           HB2      CYS  25 -13.391  -7.127  -7.127
  180   2HB   CYS  25           HB1      CYS  25 -13.941  -6.928  -6.928
  181    HG   CYS  25           HG       CYS  25 -14.474  -4.639  -4.639
  182    H    HIS  26           HN       HIS  26 -10.036  -7.458  -7.458
  183    HA   HIS  26           HA       HIS  26 -10.998  -6.107  -6.107
  184   1HB   HIS  26           HB2      HIS  26 -11.169  -8.540  -8.540
  185   2HB   HIS  26           HB1      HIS  26 -12.548  -7.716  -7.716
  186    HD1  HIS  26           HD1      HIS  26 -13.623 -10.097 -10.097
  187    HD2  HIS  26           HD2      HIS  26 -10.167  -9.386  -9.386
  188    HE1  HIS  26           HE1      HIS  26 -13.516 -11.894 -11.894
  189    H    CYS  27           HN       CYS  27  -9.100  -9.106  -9.106
  190    HA   CYS  27           HA       CYS  27  -7.084  -8.558  -8.558
  191   1HB   CYS  27           HB2      CYS  27  -7.405 -10.327 -10.327
  192   2HB   CYS  27           HB1      CYS  27  -5.839 -10.250 -10.250
  193    HG   CYS  27           HG       CYS  27  -7.720 -12.067 -12.067
  194    H    LYS  28           HN       LYS  28  -7.502  -7.407  -7.407
  195    HA   LYS  28           HA       LYS  28  -4.794  -6.703  -6.703
  196   1HB   LYS  28           HB2      LYS  28  -6.406  -6.816  -6.816
  197   2HB   LYS  28           HB1      LYS  28  -7.506  -5.825  -5.825
  198   1HG   LYS  28           HG2      LYS  28  -5.441  -4.029  -4.029
  199   2HG   LYS  28           HG1      LYS  28  -5.159  -5.087  -5.087
  200   1HD   LYS  28           HD2      LYS  28  -6.556  -3.251  -3.251
  201   2HD   LYS  28           HD1      LYS  28  -7.530  -4.719  -4.719
  202   1HE   LYS  28           HE2      LYS  28  -8.185  -4.028  -4.028
  203   2HE   LYS  28           HE1      LYS  28  -7.623  -2.415  -2.415
  204   1HZ   LYS  28           HZ2      LYS  28  -9.556  -4.105  -4.105
  205   2HZ   LYS  28           HZ1      LYS  28  -9.982  -2.776  -2.776
  206   3HZ   LYS  28           HZ3      LYS  28  -9.049  -2.540  -2.540
  207    H    LYS  29           HN       LYS  29  -7.369  -4.926  -4.926
  208    HA   LYS  29           HA       LYS  29  -5.329  -2.952  -2.952
  209   1HB   LYS  29           HB2      LYS  29  -6.614  -1.155  -1.155
  210   2HB   LYS  29           HB1      LYS  29  -6.934  -2.347  -2.347
  211   1HG   LYS  29           HG2      LYS  29  -8.729  -1.633  -1.633
  212   2HG   LYS  29           HG1      LYS  29  -8.986  -1.300  -1.300
  213   1HD   LYS  29           HD2      LYS  29  -9.017  -3.747  -3.747
  214   2HD   LYS  29           HD1      LYS  29  -8.948  -4.053  -4.053
  215   1HE   LYS  29           HE2      LYS  29 -11.085  -2.251  -2.251
  216   2HE   LYS  29           HE1      LYS  29 -11.298  -4.007  -4.007
  217   1HZ   LYS  29           HZ3      LYS  29 -10.648  -3.907  -3.907
  218   2HZ   LYS  29           HZ2      LYS  29 -10.687  -2.210  -2.210
  219   3HZ   LYS  29           HZ1      LYS  29 -12.107  -3.110  -3.110
  220    H    CYS  30           HN       CYS  30  -6.702  -5.317  -5.317
  221    HA   CYS  30           HA       CYS  30  -8.804  -4.833  -4.833
  222   1HB   CYS  30           HB2      CYS  30  -7.645  -6.607  -6.607
  223   2HB   CYS  30           HB1      CYS  30  -7.754  -6.895  -6.895
  224    HG   CYS  30           HG       CYS  30  -5.208  -7.136  -7.136
  225    H    CYS  31           HN       CYS  31  -5.395  -4.383  -4.383
  226    HA   CYS  31           HA       CYS  31  -5.959  -1.830  -1.830
  227   1HB   CYS  31           HB2      CYS  31  -7.337  -3.555  -3.555
  228   2HB   CYS  31           HB1      CYS  31  -5.780  -4.192  -4.192
  229    HG   CYS  31           HG       CYS  31  -5.487  -2.297  -2.297
  230    H    TYR  32           HN       TYR  32  -3.790  -2.180  -2.180
  231    HA   TYR  32           HA       TYR  32  -1.588  -2.185  -2.185
  232   1HB   TYR  32           HB2      TYR  32  -0.373  -4.046  -4.046
  233   2HB   TYR  32           HB1      TYR  32  -1.985  -4.583  -4.583
  234    HD1  TYR  32           HD1      TYR  32  -3.702  -3.784  -3.784
  235    HD2  TYR  32           HD2      TYR  32   0.466  -4.829  -4.829
  236    HE1  TYR  32           HE1      TYR  32  -3.920  -4.409  -4.409
  237    HE2  TYR  32           HE2      TYR  32   0.243  -5.447  -5.447
  238    HH   TYR  32           HH       TYR  32  -2.288  -6.222  -6.222
  239    H    HIS  33           HN       HIS  33  -2.716  -0.112  -0.112
  240    HA   HIS  33           HA       HIS  33  -2.131   1.690   1.690
  241   1HB   HIS  33           HB2      HIS  33   0.569   0.337   0.337
  242   2HB   HIS  33           HB1      HIS  33   0.319   1.957   1.957
  243    HD1  HIS  33           HD1      HIS  33   0.185   3.871   3.871
  244    HD2  HIS  33           HD2      HIS  33  -0.421   0.239   0.239
  245    HE1  HIS  33           HE1      HIS  33   0.034   4.403   4.403
  246    H    CYS  34           HN       CYS  34  -2.436  -1.323  -1.323
  247    HA   CYS  34           HA       CYS  34  -2.455  -2.337  -2.337
  248   1HB   CYS  34           HB2      CYS  34  -2.587   0.475   0.475
  249   2HB   CYS  34           HB1      CYS  34  -3.365  -0.974  -0.974
  250    HG   CYS  34           HG       CYS  34  -5.142   0.443   0.443
  251    H    GLN  35           HN       GLN  35  -0.090  -2.917  -2.917
  252    HA   GLN  35           HA       GLN  35   1.840  -1.194  -1.194
  253   1HB   GLN  35           HB2      GLN  35   2.136  -3.901  -3.901
  254   2HB   GLN  35           HB1      GLN  35   3.463  -2.839  -2.839
  255   1HG   GLN  35           HG2      GLN  35   1.379  -2.244  -2.244
  256   2HG   GLN  35           HG1      GLN  35   3.115  -2.536  -2.536
  257   1HE2  GLN  35          HE22      GLN  35   1.917   1.173   1.173
  258   2HE2  GLN  35          HE21      GLN  35   0.822  -0.088  -0.088
  259    H    VAL  36           HN       VAL  36  -0.061  -4.096  -4.096
  260    HA   VAL  36           HA       VAL  36  -0.370  -5.417  -5.417
  261    HB   VAL  36           HB       VAL  36   1.149  -3.253  -3.253
  262   1HG1  VAL  36          HG12      VAL  36   0.263  -5.385  -5.385
  263   2HG1  VAL  36          HG11      VAL  36  -1.327  -4.650  -4.650
  264   3HG1  VAL  36          HG13      VAL  36  -0.087  -3.829  -3.829
  265   1HG2  VAL  36          HG21      VAL  36  -1.385  -2.920  -2.920
  266   2HG2  VAL  36          HG23      VAL  36  -0.286  -1.710  -1.710
  267   3HG2  VAL  36          HG22      VAL  36  -1.460  -2.500  -2.500
  268    H    CYS  37           HN       CYS  37   1.633  -6.460  -6.460
  269    HA   CYS  37           HA       CYS  37   3.709  -7.616  -7.616
  270   1HB   CYS  37           HB2      CYS  37   1.904  -8.533  -8.533
  271   2HB   CYS  37           HB1      CYS  37   3.158  -8.121  -8.121
  272    HG   CYS  37           HG       CYS  37   3.255 -10.620 -10.620
  273    H    PHE  38           HN       PHE  38   4.622  -5.206  -5.206
  274    HA   PHE  38           HA       PHE  38   5.986  -4.478  -4.478
  275   1HB   PHE  38           HB2      PHE  38   6.514  -2.393  -2.393
  276   2HB   PHE  38           HB1      PHE  38   4.797  -2.873  -2.873
  277    HD1  PHE  38           HD1      PHE  38   6.122  -5.163  -5.163
  278    HD2  PHE  38           HD2      PHE  38   5.932  -0.884  -0.884
  279    HE1  PHE  38           HE1      PHE  38   6.400  -4.957  -4.957
  280    HE2  PHE  38           HE2      PHE  38   6.218  -0.686  -0.686
  281    HZ   PHE  38           HZ       PHE  38   6.452  -2.722  -2.722
  282    H    ILE  39           HN       ILE  39   8.184  -3.282  -3.282
  283    HA   ILE  39           HA       ILE  39  10.248  -5.095  -5.095
  284    HB   ILE  39           HB       ILE  39  11.561  -3.759  -3.759
  285   1HG1  ILE  39          HG12      ILE  39   9.185  -1.954  -1.954
  286   2HG1  ILE  39          HG11      ILE  39   9.253  -3.301  -3.301
  287   1HG2  ILE  39          HG21      ILE  39  10.179  -2.849  -2.849
  288   2HG2  ILE  39          HG23      ILE  39  10.603  -1.520  -1.520
  289   3HG2  ILE  39          HG22      ILE  39  11.856  -2.611  -2.611
  290   1HD1  ILE  39          HD13      ILE  39  11.506  -1.328  -1.328
  291   2HD1  ILE  39          HD12      ILE  39  10.312  -1.236  -1.236
  292   3HD1  ILE  39          HD11      ILE  39  11.426  -2.602  -2.602
  293    H    THR  40           HN       THR  40   8.460  -4.906  -4.906
  294    HA   THR  40           HA       THR  40   9.999  -7.301  -7.301
  295    HB   THR  40           HB       THR  40   8.341  -5.206  -5.206
  296    HG1  THR  40           HG1      THR  40  10.622  -4.904  -4.904
  297   1HG2  THR  40          HG21      THR  40   9.055  -7.826  -7.826
  298   2HG2  THR  40          HG23      THR  40  10.117  -6.709  -6.709
  299   3HG2  THR  40          HG22      THR  40   8.367  -6.531  -6.531
  300    H    LYS  41           HN       LYS  41   8.909  -9.198  -9.198
  301    HA   LYS  41           HA       LYS  41   6.301  -9.664  -9.664
  302   1HB   LYS  41           HB2      LYS  41   6.627 -11.903 -11.903
  303   2HB   LYS  41           HB1      LYS  41   8.175 -11.309 -11.309
  304   1HG   LYS  41           HG2      LYS  41   9.146 -11.615 -11.615
  305   2HG   LYS  41           HG1      LYS  41   8.029 -10.547 -10.547
  306   1HD   LYS  41           HD2      LYS  41   7.551 -13.487 -13.487
  307   2HD   LYS  41           HD1      LYS  41   8.019 -12.839 -12.839
  308   1HE   LYS  41           HE2      LYS  41   5.548 -11.710 -11.710
  309   2HE   LYS  41           HE1      LYS  41   5.447 -13.280 -13.280
  310   1HZ   LYS  41           HZ2      LYS  41   6.674 -10.824 -10.824
  311   2HZ   LYS  41           HZ1      LYS  41   5.057 -11.271 -11.271
  312   3HZ   LYS  41           HZ3      LYS  41   6.310 -12.268 -12.268
  313    H    GLY  42           HN       GLY  42   7.324  -8.578  -8.578
  314   1HA   GLY  42           HA2      GLY  42   5.021  -9.436  -9.436
  315   2HA   GLY  42           HA1      GLY  42   6.131  -8.148  -8.148
  316    H    LEU  43           HN       LEU  43   5.067  -7.362  -7.362
  317    HA   LEU  43           HA       LEU  43   3.454  -5.899  -5.899
  318   1HB   LEU  43           HB2      LEU  43   1.781  -6.840  -6.840
  319   2HB   LEU  43           HB1      LEU  43   1.281  -6.126  -6.126
  320    HG   LEU  43           HG       LEU  43   2.679  -8.780  -8.780
  321   1HD1  LEU  43          HD13      LEU  43   0.003  -7.842  -7.842
  322   2HD1  LEU  43          HD12      LEU  43   0.016  -8.935  -8.935
  323   3HD1  LEU  43          HD11      LEU  43   0.660  -9.472  -9.472
  324   1HD2  LEU  43          HD23      LEU  43   3.134  -7.470  -7.470
  325   2HD2  LEU  43          HD22      LEU  43   2.171  -8.915  -8.915
  326   3HD2  LEU  43          HD21      LEU  43   1.394  -7.333  -7.333
  327    H    GLY  44           HN       GLY  44   5.449  -4.826  -4.826
  328   1HA   GLY  44           HA2      GLY  44   5.868  -2.777  -2.777
  329   2HA   GLY  44           HA1      GLY  44   4.394  -2.246  -2.246
  330    H    ILE  45           HN       ILE  45   3.991  -5.048  -5.048
  331    HA   ILE  45           HA       ILE  45   2.053  -3.903  -3.903
  332    HB   ILE  45           HB       ILE  45   2.669  -5.903  -5.903
  333   1HG1  ILE  45          HG12      ILE  45   4.100  -7.467  -7.467
  334   2HG1  ILE  45          HG11      ILE  45   4.949  -5.915  -5.915
  335   1HG2  ILE  45          HG22      ILE  45   1.852  -5.997  -5.997
  336   2HG2  ILE  45          HG21      ILE  45   2.050  -7.509  -7.509
  337   3HG2  ILE  45          HG23      ILE  45   0.892  -6.303  -6.303
  338   1HD1  ILE  45          HD13      ILE  45   4.386  -6.383  -6.383
  339   2HD1  ILE  45          HD12      ILE  45   4.895  -7.939  -7.939
  340   3HD1  ILE  45          HD11      ILE  45   5.956  -6.536  -6.536
  341    H    SER  46           HN       SER  46   5.540  -4.431  -4.431
  342    HA   SER  46           HA       SER  46   5.630  -1.976  -1.976
  343   1HB   SER  46           HB2      SER  46   5.679  -2.962  -2.962
  344   2HB   SER  46           HB1      SER  46   4.189  -3.459  -3.459
  345    HG   SER  46           HG       SER  46   5.958  -5.021  -5.021
  346    H    TYR  47           HN       TYR  47   7.360  -3.929  -3.929
  347    HA   TYR  47           HA       TYR  47   9.716  -4.423  -4.423
  348   1HB   TYR  47           HB2      TYR  47  10.654  -5.286  -5.286
  349   2HB   TYR  47           HB1      TYR  47   8.923  -5.689  -5.689
  350    HD1  TYR  47           HD1      TYR  47  11.340  -3.196  -3.196
  351    HD2  TYR  47           HD2      TYR  47   7.451  -4.991  -4.991
  352    HE1  TYR  47           HE1      TYR  47  10.940  -2.009  -2.009
  353    HE2  TYR  47           HE2      TYR  47   7.049  -3.819  -3.819
  354    HH   TYR  47           HH       TYR  47   8.972  -2.770  -2.770
  355    H    GLY  48           HN       GLY  48   8.497  -1.728  -1.728
  356   1HA   GLY  48           HA2      GLY  48   9.522   0.474   0.474
  357   2HA   GLY  48           HA1      GLY  48  11.102  -0.273  -0.273
  358    H    ARG  49           HN       ARG  49   8.099   0.444   0.444
  359    HA   ARG  49           HA       ARG  49   9.341   0.040   0.040
  360   1HB   ARG  49           HB2      ARG  49   7.212   0.573   0.573
  361   2HB   ARG  49           HB1      ARG  49   6.921  -0.223  -0.223
  362   1HG   ARG  49           HG2      ARG  49   6.495   1.891   1.891
  363   2HG   ARG  49           HG1      ARG  49   7.046   2.805   2.805
  364   1HD   ARG  49           HD2      ARG  49   4.593   2.776   2.776
  365   2HD   ARG  49           HD1      ARG  49   5.343   1.833   1.833
  366    HE   ARG  49           HE       ARG  49   4.999  -0.237  -0.237
  367   1HH1  ARG  49          HH11      ARG  49   4.102   2.124   2.124
  368   2HH1  ARG  49          HH12      ARG  49   2.548   1.462   1.462
  369   1HH2  ARG  49          HH21      ARG  49   2.631  -0.911  -0.911
  370   2HH2  ARG  49          HH22      ARG  49   1.720  -0.261  -0.261
  371    H    LYS  50           HN       LYS  50   9.757   1.714   1.714
  372    HA   LYS  50           HA       LYS  50  10.369   4.371   4.371
  373   1HB   LYS  50           HB2      LYS  50  12.132   4.470   4.470
  374   2HB   LYS  50           HB1      LYS  50  12.319   3.085   3.085
  375   1HG   LYS  50           HG2      LYS  50  10.615   2.523   2.523
  376   2HG   LYS  50           HG1      LYS  50  12.260   3.011   3.011
  377   1HD   LYS  50           HD2      LYS  50  11.391   0.744   0.744
  378   2HD   LYS  50           HD1      LYS  50  12.050   0.595   0.595
  379   1HE   LYS  50           HE2      LYS  50  14.087   1.937   1.937
  380   2HE   LYS  50           HE1      LYS  50  13.383   1.382   1.382
  381   1HZ   LYS  50           HZ3      LYS  50  13.373  -0.870  -0.870
  382   2HZ   LYS  50           HZ2      LYS  50  13.998  -0.377  -0.377
  383   3HZ   LYS  50           HZ1      LYS  50  14.954  -0.264  -0.264
  384    H    LYS  51           HN       LYS  51   8.563   2.708   2.708
  385    HA   LYS  51           HA       LYS  51   7.058   3.464   3.464
  386   1HB   LYS  51           HB2      LYS  51   7.272   5.943   5.943
  387   2HB   LYS  51           HB1      LYS  51   6.136   5.735   5.735
  388   1HG   LYS  51           HG2      LYS  51   6.337   3.546   3.546
  389   2HG   LYS  51           HG1      LYS  51   5.482   5.025   5.025
  390   1HD   LYS  51           HD2      LYS  51   3.704   3.973   3.973
  391   2HD   LYS  51           HD1      LYS  51   4.416   4.531   4.531
  392   1HE   LYS  51           HE2      LYS  51   5.662   2.365   2.365
  393   2HE   LYS  51           HE1      LYS  51   4.841   1.814   1.814
  394   1HZ   LYS  51           HZ1      LYS  51   2.702   2.421   2.421
  395   2HZ   LYS  51           HZ3      LYS  51   3.582   2.679   2.679
  396   3HZ   LYS  51           HZ2      LYS  51   3.526   1.128   1.128
  397    H    ARG  52           HN       ARG  52  10.171   4.263   4.263
  398    HA   ARG  52           HA       ARG  52   9.834   6.371   6.371
  399   1HB   ARG  52           HB2      ARG  52  12.348   5.470   5.470
  400   2HB   ARG  52           HB1      ARG  52  12.160   6.915   6.915
  401   1HG   ARG  52           HG2      ARG  52  11.169   6.270   6.270
  402   2HG   ARG  52           HG1      ARG  52  12.030   7.721   7.721
  403   1HD   ARG  52           HD2      ARG  52   9.064   7.094   7.094
  404   2HD   ARG  52           HD1      ARG  52   9.805   8.496   8.496
  405    HE   ARG  52           HE       ARG  52   9.260   8.286   8.286
  406   1HH1  ARG  52          HH11      ARG  52  10.768  10.341  10.341
  407   2HH1  ARG  52          HH12      ARG  52  12.023  10.850  10.850
  408   1HH2  ARG  52          HH21      ARG  52  11.359   8.390   8.390
  409   2HH2  ARG  52          HH22      ARG  52  12.358   9.744   9.744
  410    H    ARG  53           HN       ARG  53  10.574   3.028   3.028
  411    HA   ARG  53           HA       ARG  53  12.435   2.488   2.488
  412   1HB   ARG  53           HB2      ARG  53  11.613   0.241   0.241
  413   2HB   ARG  53           HB1      ARG  53  11.458   0.938   0.938
  414   1HG   ARG  53           HG2      ARG  53   9.314   0.360   0.360
  415   2HG   ARG  53           HG1      ARG  53   8.982   1.563   1.563
  416   1HD   ARG  53           HD2      ARG  53  10.155  -1.010  -1.010
  417   2HD   ARG  53           HD1      ARG  53   8.552  -1.128  -1.128
  418    HE   ARG  53           HE       ARG  53   7.862   0.797   0.797
  419   1HH1  ARG  53          HH11      ARG  53  11.008  -0.203  -0.203
  420   2HH1  ARG  53          HH12      ARG  53  10.732  -0.360  -0.360
  421   1HH2  ARG  53          HH21      ARG  53   7.323   0.212   0.212
  422   2HH2  ARG  53          HH22      ARG  53   8.651  -0.122  -0.122
  423    H    GLN  54           HN       GLN  54   9.046   3.392   3.392
  424    HA   GLN  54           HA       GLN  54   8.385   2.386   2.386
  425   1HB   GLN  54           HB2      GLN  54   7.495   5.045   5.045
  426   2HB   GLN  54           HB1      GLN  54   6.688   4.048   4.048
  427   1HG   GLN  54           HG2      GLN  54   6.059   2.374   2.374
  428   2HG   GLN  54           HG1      GLN  54   7.258   2.748   2.748
  429   1HE2  GLN  54          HE22      GLN  54   5.001   4.666   4.666
  430   2HE2  GLN  54          HE21      GLN  54   6.346   3.618   3.618
  431    H    ARG  55           HN       ARG  55   9.947   5.462   5.462
  432    HA   ARG  55           HA       ARG  55  11.251   6.969   6.969
  433   1HB   ARG  55           HB2      ARG  55  11.349   4.627   4.627
  434   2HB   ARG  55           HB1      ARG  55  12.377   6.035   6.035
  435   1HG   ARG  55           HG2      ARG  55  13.208   5.482   5.482
  436   2HG   ARG  55           HG1      ARG  55  12.186   4.049   4.049
  437   1HD   ARG  55           HD2      ARG  55  13.340   3.127   3.127
  438   2HD   ARG  55           HD1      ARG  55  14.408   4.546   4.546
  439    HE   ARG  55           HE       ARG  55  14.409   2.399   2.399
  440   1HH1  ARG  55          HH21      ARG  55  14.512   4.636   4.636
  441   2HH1  ARG  55          HH22      ARG  55  16.163   5.160   5.160
  442   1HH2  ARG  55          HH11      ARG  55  16.918   3.473   3.473
  443   2HH2  ARG  55          HH12      ARG  55  17.528   4.499   4.499
  444    H    ARG  56           HN       ARG  56   8.175   6.234   6.234
  445    HA   ARG  56           HA       ARG  56   7.971   8.152   8.152
  446   1HB   ARG  56           HB2      ARG  56   6.227   5.710   5.710
  447   2HB   ARG  56           HB1      ARG  56   6.292   6.746   6.746
  448   1HG   ARG  56           HG2      ARG  56   8.073   5.684   5.684
  449   2HG   ARG  56           HG1      ARG  56   8.913   5.542   5.542
  450   1HD   ARG  56           HD2      ARG  56   7.297   3.795   3.795
  451   2HD   ARG  56           HD1      ARG  56   6.628   3.834   3.834
  452    HE   ARG  56           HE       ARG  56   9.308   2.773   2.773
  453   1HH1  ARG  56          HH21      ARG  56  10.737   3.850   3.850
  454   2HH1  ARG  56          HH22      ARG  56  10.210   3.305   3.305
  455   1HH2  ARG  56          HH11      ARG  56   7.143   2.144   2.144
  456   2HH2  ARG  56          HH12      ARG  56   8.172   2.338   2.338
  457    H    ARG  57           HN       ARG  57   7.727   8.540   8.540
  458    HA   ARG  57           HA       ARG  57   5.094   8.506   8.506
  459   1HB   ARG  57           HB2      ARG  57   7.242   9.000   9.000
  460   2HB   ARG  57           HB1      ARG  57   7.219  10.641  10.641
  461   1HG   ARG  57           HG2      ARG  57   6.187  10.967  10.967
  462   2HG   ARG  57           HG1      ARG  57   4.767  10.621  10.621
  463   1HD   ARG  57           HD2      ARG  57   4.973   8.236   8.236
  464   2HD   ARG  57           HD1      ARG  57   6.290   8.639   8.639
  465    HE   ARG  57           HE       ARG  57   3.440   9.249   9.249
  466   1HH1  ARG  57          HH11      ARG  57   6.216   9.036   9.036
  467   2HH1  ARG  57          HH12      ARG  57   6.000  10.474  10.474
  468   1HH2  ARG  57          HH21      ARG  57   3.337  11.643  11.643
  469   2HH2  ARG  57          HH22      ARG  57   4.368  11.951  11.951
  470    HA   PRO  58           HA       PRO  58   4.352  12.734  12.734
  471   1HB   PRO  58           HB2      PRO  58   6.177  13.763  13.763
  472   2HB   PRO  58           HB1      PRO  58   6.277  13.985  13.985
  473   1HG   PRO  58           HG2      PRO  58   7.888  12.287  12.287
  474   2HG   PRO  58           HG1      PRO  58   8.268  12.942  12.942
  475   1HD   PRO  58           HD2      PRO  58   7.373  10.345  10.345
  476   2HD   PRO  58           HD1      PRO  58   7.813  10.861  10.861
  477    H    SER  59           HN       SER  59   4.970   9.885   9.885
  478    HA   SER  59           HA       SER  59   3.696  10.902  10.902
  479   1HB   SER  59           HB2      SER  59   5.493   8.501   8.501
  480   2HB   SER  59           HB1      SER  59   4.655   9.010   9.010
  481    HG   SER  59           HG       SER  59   6.037  10.666  10.666
  482    H    GLN  60           HN       GLN  60   1.940   9.793   9.793
  483    HA   GLN  60           HA       GLN  60   0.997   7.314   7.314
  484   1HB   GLN  60           HB2      GLN  60  -0.329  10.042  10.042
  485   2HB   GLN  60           HB1      GLN  60  -1.287   8.563   8.563
  486   1HG   GLN  60           HG2      GLN  60  -0.446   7.902   7.902
  487   2HG   GLN  60           HG1      GLN  60   1.070   8.768   8.768
  488   1HE2  GLN  60          HE22      GLN  60  -0.148  11.239  11.239
  489   2HE2  GLN  60          HE21      GLN  60   1.036  10.042  10.042
  490    H    GLY  61           HN       GLY  61  -1.555   8.829   8.829
  491   1HA   GLY  61           HA2      GLY  61  -2.340   8.922   8.922
  492   2HA   GLY  61           HA1      GLY  61  -0.795   8.278   8.278
  493    H    GLY  62           HN       GLY  62  -3.615   7.266   7.266
  494   1HA   GLY  62           HA2      GLY  62  -4.836   5.240   5.240
  495   2HA   GLY  62           HA1      GLY  62  -4.044   4.871   4.871
  496    H    GLN  63           HN       GLN  63  -1.996   5.699   5.699
  497    HA   GLN  63           HA       GLN  63  -0.724   3.081   3.081
  498   1HB   GLN  63           HB2      GLN  63  -0.432   5.712   5.712
  499   2HB   GLN  63           HB1      GLN  63   0.586   4.465   4.465
  500   1HG   GLN  63           HG2      GLN  63   0.261   5.382   5.382
  501   2HG   GLN  63           HG1      GLN  63   1.625   5.845   5.845
  502   1HE2  GLN  63          HE22      GLN  63   2.534   2.095   2.095
  503   2HE2  GLN  63          HE21      GLN  63   1.832   3.036   3.036
  504    H    THR  64           HN       THR  64  -3.116   4.674   4.674
  505    HA   THR  64           HA       THR  64  -4.182   4.027   4.027
  506    HB   THR  64           HB       THR  64  -3.509   1.420   1.420
  507    HG1  THR  64           HG1      THR  64  -5.496   1.657   1.657
  508   1HG2  THR  64          HG23      THR  64  -4.901   2.017   2.017
  509   2HG2  THR  64          HG22      THR  64  -5.750   0.909   0.909
  510   3HG2  THR  64          HG21      THR  64  -4.117   0.529   0.529
  511    H    HIS  65           HN       HIS  65  -1.673   4.802   4.802
  512    HA   HIS  65           HA       HIS  65   0.004   2.812   2.812
  513   1HB   HIS  65           HB2      HIS  65  -0.226   5.765   5.765
  514   2HB   HIS  65           HB1      HIS  65   0.898   5.147   5.147
  515    HD1  HIS  65           HD1      HIS  65   1.642   6.788   6.788
  516    HD2  HIS  65           HD2      HIS  65   1.730   2.616   2.616
  517    HE1  HIS  65           HE1      HIS  65   3.217   5.993   5.993
  518    H    GLN  66           HN       GLN  66   0.531   3.894   3.894
  519    HA   GLN  66           HA       GLN  66  -2.072   3.664   3.664
  520   1HB   GLN  66           HB2      GLN  66   0.535   2.254   2.254
  521   2HB   GLN  66           HB1      GLN  66  -0.510   2.413   2.413
  522   1HG   GLN  66           HG2      GLN  66  -1.242   0.376   0.376
  523   2HG   GLN  66           HG1      GLN  66  -2.424   1.557   1.557
  524   1HE2  GLN  66          HE22      GLN  66   0.158   0.803   0.803
  525   2HE2  GLN  66          HE21      GLN  66   0.675   1.604   1.604
  526    H    ASP  67           HN       ASP  67   1.370   4.397   4.397
  527    HA   ASP  67           HA       ASP  67   0.813   6.179   6.179
  528   1HB   ASP  67           HB2      ASP  67   2.770   4.770   4.770
  529   2HB   ASP  67           HB1      ASP  67   3.235   5.533   5.533
  530    HA   PRO  68           HA       PRO  68   1.888   9.586   9.586
  531   1HB   PRO  68           HB2      PRO  68   2.191   8.979   8.979
  532   2HB   PRO  68           HB1      PRO  68   3.497   8.872   8.872
  533   1HG   PRO  68           HG2      PRO  68   1.962   6.728   6.728
  534   2HG   PRO  68           HG1      PRO  68   3.553   6.656   6.656
  535   1HD   PRO  68           HD2      PRO  68   1.009   5.852   5.852
  536   2HD   PRO  68           HD1      PRO  68   2.626   5.688   5.688
  537    H    ILE  69           HN       ILE  69  -0.565   7.252   7.252
  538    HA   ILE  69           HA       ILE  69  -2.133   9.417   9.417
  539    HB   ILE  69           HB       ILE  69  -1.128   7.103   7.103
  540   1HG1  ILE  69          HG12      ILE  69  -2.633   9.161   9.161
  541   2HG1  ILE  69          HG11      ILE  69  -2.133   7.782   7.782
  542   1HG2  ILE  69          HG23      ILE  69  -2.637   5.809   5.809
  543   2HG2  ILE  69          HG22      ILE  69  -4.003   6.417   6.417
  544   3HG2  ILE  69          HG21      ILE  69  -2.798   5.396   5.396
  545   1HD1  ILE  69          HD12      ILE  69  -4.574   7.415   7.415
  546   2HD1  ILE  69          HD11      ILE  69  -4.699   8.551   8.551
  547   3HD1  ILE  69          HD13      ILE  69  -4.217   6.881   6.881
  548    HA   PRO  70           HA       PRO  70  -4.625   7.215   7.215
  549   1HB   PRO  70           HB2      PRO  70  -3.916   8.574   8.574
  550   2HB   PRO  70           HB1      PRO  70  -3.165   7.032   7.032
  551   1HG   PRO  70           HG2      PRO  70  -2.198   9.832   9.832
  552   2HG   PRO  70           HG1      PRO  70  -1.296   8.378   8.378
  553   1HD   PRO  70           HD2      PRO  70  -1.244   9.443   9.443
  554   2HD   PRO  70           HD1      PRO  70  -1.058   7.684   7.684
  555    H    LYS  71           HN       LYS  71  -3.826  10.272  10.272
  556    HA   LYS  71           HA       LYS  71  -5.659  12.054  12.054
  557   1HB   LYS  71           HB2      LYS  71  -4.316  11.786  11.786
  558   2HB   LYS  71           HB1      LYS  71  -5.386  13.186  13.186
  559   1HG   LYS  71           HG2      LYS  71  -3.486  13.744  13.744
  560   2HG   LYS  71           HG1      LYS  71  -3.823  13.782  13.782
  561   1HD   LYS  71           HD2      LYS  71  -2.450  11.485  11.485
  562   2HD   LYS  71           HD1      LYS  71  -1.534  12.951  12.951
  563   1HE   LYS  71           HE2      LYS  71  -2.729  11.635  11.635
  564   2HE   LYS  71           HE1      LYS  71  -1.130  11.175  11.175
  565   1HZ   LYS  71           HZ1      LYS  71  -0.543  13.561  13.561
  566   2HZ   LYS  71           HZ3      LYS  71  -2.010  13.916  13.916
  567   3HZ   LYS  71           HZ2      LYS  71  -0.838  12.974  12.974
  568    H    GLN  72           HN       GLN  72  -5.815  10.070  10.070
  569    HA   GLN  72           HA       GLN  72  -8.660   9.548   9.548
  570   1HB   GLN  72           HB2      GLN  72  -8.650  11.148  11.148
  571   2HB   GLN  72           HB1      GLN  72  -9.220  11.686  11.686
  572   1HG   GLN  72           HG2      GLN  72  -7.781  13.283  13.283
  573   2HG   GLN  72           HG1      GLN  72  -6.774  12.621  12.621
  574   1HE2  GLN  72          HE22      GLN  72  -4.519  11.289  11.289
  575   2HE2  GLN  72          HE21      GLN  72  -4.958  11.042  11.042
  576    HA   PRO  73           HA       PRO  73  -7.475   6.847   6.847
  577   1HB   PRO  73           HB2      PRO  73  -8.956   7.362   7.362
  578   2HB   PRO  73           HB1      PRO  73  -9.665   6.539   6.539
  579   1HG   PRO  73           HG2      PRO  73  -9.801   9.472   9.472
  580   2HG   PRO  73           HG1      PRO  73 -11.158   8.410   8.410
  581   1HD   PRO  73           HD2      PRO  73  -9.950  10.050  10.050
  582   2HD   PRO  73           HD1      PRO  73 -10.296   8.408   8.408
  583    H    SER  74           HN       SER  74  -8.037  10.164  10.164
  584    HA   SER  74           HA       SER  74  -6.744  11.557  11.557
  585   1HB   SER  74           HB2      SER  74  -4.845  11.692  11.692
  586   2HB   SER  74           HB1      SER  74  -4.946  10.149  10.149
  587    HG   SER  74           HG       SER  74  -3.480  11.220  11.220
  588    H    SER  75           HN       SER  75  -7.243  11.306  11.306
  589    HA   SER  75           HA       SER  75  -6.792  10.698  10.698
  590   1HB   SER  75           HB2      SER  75  -4.511  10.158  10.158
  591   2HB   SER  75           HB1      SER  75  -4.948   8.527   8.527
  592    HG   SER  75           HG       SER  75  -4.676   8.965   8.965
  593    H    GLN  76           HN       GLN  76  -7.458   8.188   8.188
  594    HA   GLN  76           HA       GLN  76  -8.315   6.164   6.164
  595   1HB   GLN  76           HB2      GLN  76  -8.413   6.649   6.649
  596   2HB   GLN  76           HB1      GLN  76  -9.481   5.412   5.412
  597   1HG   GLN  76           HG2      GLN  76  -7.746   4.014   4.014
  598   2HG   GLN  76           HG1      GLN  76  -7.017   4.946   4.946
  599   1HE2  GLN  76          HE22      GLN  76  -4.856   6.786   6.786
  600   2HE2  GLN  76          HE21      GLN  76  -5.704   6.940   6.940
  601    HA   PRO  77           HA       PRO  77 -12.665   7.843   7.843
  602   1HB   PRO  77           HB2      PRO  77 -12.841  10.389  10.389
  603   2HB   PRO  77           HB1      PRO  77 -12.685   8.918   8.918
  604   1HG   PRO  77           HG2      PRO  77 -10.673  10.942  10.942
  605   2HG   PRO  77           HG1      PRO  77 -10.852  10.106  10.106
  606   1HD   PRO  77           HD2      PRO  77  -9.096   9.563   9.563
  607   2HD   PRO  77           HD1      PRO  77  -9.463   8.392   8.392
  608    H    ARG  78           HN       ARG  78 -10.166   9.629   9.629
  609    HA   ARG  78           HA       ARG  78 -12.102  10.603  10.603
  610   1HB   ARG  78           HB2      ARG  78 -10.979  12.861  12.861
  611   2HB   ARG  78           HB1      ARG  78 -11.813  12.400  12.400
  612   1HG   ARG  78           HG2      ARG  78  -9.553  11.569  11.569
  613   2HG   ARG  78           HG1      ARG  78  -8.848  12.234  12.234
  614   1HD   ARG  78           HD2      ARG  78  -9.597  14.479  14.479
  615   2HD   ARG  78           HD1      ARG  78 -10.398  13.848  13.848
  616    HE   ARG  78           HE       ARG  78  -7.614  12.999  12.999
  617   1HH1  ARG  78          HH11      ARG  78  -9.500  14.148  14.148
  618   2HH1  ARG  78          HH12      ARG  78  -8.509  15.471  15.471
  619   1HH2  ARG  78          HH21      ARG  78  -6.410  15.324  15.324
  620   2HH2  ARG  78          HH22      ARG  78  -6.755  16.138  16.138
  621    H    GLY  79           HN       GLY  79 -10.079   8.453   8.453
  622   1HA   GLY  79           HA2      GLY  79  -8.493   9.444   9.444
  623   2HA   GLY  79           HA1      GLY  79  -7.614   8.779   8.779
  624    H    ASP  80           HN       ASP  80  -7.117   6.673   6.673
  625    HA   ASP  80           HA       ASP  80  -8.310   5.009   5.009
  626   1HB   ASP  80           HB2      ASP  80  -5.941   4.910   4.910
  627   2HB   ASP  80           HB1      ASP  80  -6.448   4.393   4.393
  628    HA   PRO  81           HA       PRO  81 -11.617   3.367   3.367
  629   1HB   PRO  81           HB2      PRO  81 -12.090   1.067   1.067
  630   2HB   PRO  81           HB1      PRO  81 -12.581   2.675   2.675
  631   1HG   PRO  81           HG2      PRO  81 -10.174   1.068   1.068
  632   2HG   PRO  81           HG1      PRO  81 -11.264   2.006   2.006
  633   1HD   PRO  81           HD2      PRO  81  -8.851   2.924   2.924
  634   2HD   PRO  81           HD1      PRO  81 -10.233   4.006   4.006
  635    H    THR  82           HN       THR  82 -10.101   2.979   2.979
  636    HA   THR  82           HA       THR  82  -8.510   0.582   0.582
  637    HB   THR  82           HB       THR  82  -8.782   1.294   1.294
  638    HG1  THR  82           HG1      THR  82 -10.424   2.660   2.660
  639   1HG2  THR  82          HG23      THR  82  -7.020   1.928   1.928
  640   2HG2  THR  82          HG22      THR  82  -7.590   3.530   3.530
  641   3HG2  THR  82          HG21      THR  82  -6.859   2.467   2.467
  642    H    GLY  83           HN       GLY  83 -11.726   1.465   1.465
  643   1HA   GLY  83           HA2      GLY  83 -13.058  -0.932  -0.932
  644   2HA   GLY  83           HA1      GLY  83 -12.102  -1.178  -1.178
  645    HA   PRO  84           HA       PRO  84 -15.434   1.071   1.071
  646   1HB   PRO  84           HB2      PRO  84 -14.639   0.576   0.576
  647   2HB   PRO  84           HB1      PRO  84 -15.351  -0.654  -0.654
  648   1HG   PRO  84           HG2      PRO  84 -12.623  -0.439  -0.439
  649   2HG   PRO  84           HG1      PRO  84 -13.407  -1.780  -1.780
  650   1HD   PRO  84           HD2      PRO  84 -11.748   0.391   0.391
  651   2HD   PRO  84           HD1      PRO  84 -11.916  -1.134  -1.134
  652    H    LYS  85           HN       LYS  85 -12.260   2.200   2.200
  653    HA   LYS  85           HA       LYS  85 -12.566   4.358   4.358
  654   1HB   LYS  85           HB2      LYS  85 -10.404   3.767   3.767
  655   2HB   LYS  85           HB1      LYS  85 -10.297   4.886   4.886
  656   1HG   LYS  85           HG2      LYS  85 -10.826   2.852   2.852
  657   2HG   LYS  85           HG1      LYS  85 -10.509   1.866   1.866
  658   1HD   LYS  85           HD2      LYS  85  -8.497   2.025   2.025
  659   2HD   LYS  85           HD1      LYS  85  -8.272   2.864   2.864
  660   1HE   LYS  85           HE2      LYS  85  -8.361   4.979   4.979
  661   2HE   LYS  85           HE1      LYS  85  -9.285   4.418   4.418
  662   1HZ   LYS  85           HZ3      LYS  85  -6.482   3.569   3.569
  663   2HZ   LYS  85           HZ2      LYS  85  -6.867   4.763   4.763
  664   3HZ   LYS  85           HZ1      LYS  85  -7.365   3.158   3.158
  665    H    GLU  86           HN       GLU  86 -13.970   3.948   3.948
  666    HA   GLU  86           HA       GLU  86 -13.305   6.402   6.402
  667   1HB   GLU  86           HB2      GLU  86 -15.542   4.367   4.367
  668   2HB   GLU  86           HB1      GLU  86 -15.295   5.677   5.677
  669   1HG   GLU  86           HG2      GLU  86 -13.022   4.823   4.823
  670   2HG   GLU  86           HG1      GLU  86 -13.374   3.496   3.496

  Start of MODEL    6
    1   1H    LEU   1           HT2      LEU   1  14.879 -10.401 -10.401
    2   2H    LEU   1           HT1      LEU   1  13.524 -11.425 -11.425
    3   3H    LEU   1           HT3      LEU   1  13.942 -10.526 -10.526
    4    HA   LEU   1           HA       LEU   1  12.106  -9.409  -9.409
    5   1HB   LEU   1           HB2      LEU   1  12.088  -8.944  -8.944
    6   2HB   LEU   1           HB1      LEU   1  12.446 -10.662 -10.662
    7    HG   LEU   1           HG       LEU   1  14.938  -9.281  -9.281
    8   1HD1  LEU   1          HD13      LEU   1  13.509  -7.487  -7.487
    9   2HD1  LEU   1          HD12      LEU   1  13.477  -8.615  -8.615
   10   3HD1  LEU   1          HD11      LEU   1  15.016  -7.990  -7.990
   11   1HD2  LEU   1          HD21      LEU   1  13.979 -11.605 -11.605
   12   2HD2  LEU   1          HD23      LEU   1  15.528 -10.914 -10.914
   13   3HD2  LEU   1          HD22      LEU   1  14.103 -10.674 -10.674
   14    H    ASP   2           HN       ASP   2  12.220  -7.051  -7.051
   15    HA   ASP   2           HA       ASP   2  12.984  -4.844  -4.844
   16   1HB   ASP   2           HB2      ASP   2  14.665  -6.194  -6.194
   17   2HB   ASP   2           HB1      ASP   2  15.755  -5.875  -5.875
   18    HA   PRO   3           HA       PRO   3  14.718  -5.668  -5.668
   19   1HB   PRO   3           HB2      PRO   3  12.459  -6.024  -6.024
   20   2HB   PRO   3           HB1      PRO   3  13.245  -7.315  -7.315
   21   1HG   PRO   3           HG2      PRO   3  10.711  -6.018  -6.018
   22   2HG   PRO   3           HG1      PRO   3  11.341  -7.562  -7.562
   23   1HD   PRO   3           HD2      PRO   3  11.254  -5.024  -5.024
   24   2HD   PRO   3           HD1      PRO   3  11.688  -6.614  -6.614
   25    H    VAL   4           HN       VAL   4  11.688  -4.350  -4.350
   26    HA   VAL   4           HA       VAL   4  12.852  -1.778  -1.778
   27    HB   VAL   4           HB       VAL   4  10.152  -3.149  -3.149
   28   1HG1  VAL   4          HG11      VAL   4  10.717  -0.249  -0.249
   29   2HG1  VAL   4          HG13      VAL   4   9.536  -1.133  -1.133
   30   3HG1  VAL   4          HG12      VAL   4   9.304  -0.962  -0.962
   31   1HG2  VAL   4          HG22      VAL   4  12.305  -3.271  -3.271
   32   2HG2  VAL   4          HG21      VAL   4  10.646  -3.692  -3.692
   33   3HG2  VAL   4          HG23      VAL   4  11.273  -2.091  -2.091
   34    H    ASP   5           HN       ASP   5  10.110  -2.667  -2.667
   35    HA   ASP   5           HA       ASP   5  10.934  -0.936  -0.936
   36   1HB   ASP   5           HB2      ASP   5   9.314   0.167   0.167
   37   2HB   ASP   5           HB1      ASP   5   8.181  -0.275  -0.275
   38    HA   PRO   6           HA       PRO   6   7.528  -3.956  -3.956
   39   1HB   PRO   6           HB2      PRO   6   5.531  -4.475  -4.475
   40   2HB   PRO   6           HB1      PRO   6   5.519  -3.021  -3.021
   41   1HG   PRO   6           HG2      PRO   6   5.878  -3.267  -3.267
   42   2HG   PRO   6           HG1      PRO   6   5.646  -1.792  -1.792
   43   1HD   PRO   6           HD2      PRO   6   8.017  -3.087  -3.087
   44   2HD   PRO   6           HD1      PRO   6   7.810  -1.372  -1.372
   45    H    ASN   7           HN       ASN   7   6.336  -6.253  -6.253
   46    HA   ASN   7           HA       ASN   7   8.706  -7.704  -7.704
   47   1HB   ASN   7           HB2      ASN   7   5.803  -8.366  -8.366
   48   2HB   ASN   7           HB1      ASN   7   6.921  -9.574  -9.574
   49   1HD2  ASN   7          HD22      ASN   7   7.224  -8.501  -8.501
   50   2HD2  ASN   7          HD21      ASN   7   6.132  -7.693  -7.693
   51    H    ILE   8           HN       ILE   8   5.461  -7.186  -7.186
   52    HA   ILE   8           HA       ILE   8   6.773  -7.222  -7.222
   53    HB   ILE   8           HB       ILE   8   5.015  -8.609  -8.609
   54   1HG1  ILE   8          HG12      ILE   8   3.159  -7.455  -7.455
   55   2HG1  ILE   8          HG11      ILE   8   3.013  -9.184  -9.184
   56   1HG2  ILE   8          HG23      ILE   8   6.267  -9.490  -9.490
   57   2HG2  ILE   8          HG22      ILE   8   4.987 -10.500 -10.500
   58   3HG2  ILE   8          HG21      ILE   8   6.427 -10.155 -10.155
   59   1HD1  ILE   8          HD13      ILE   8   4.345  -9.252  -9.252
   60   2HD1  ILE   8          HD12      ILE   8   3.686  -7.625  -7.625
   61   3HD1  ILE   8          HD11      ILE   8   2.600  -8.999  -8.999
   62    H    GLU   9           HN       GLU   9   5.402  -5.183  -5.183
   63    HA   GLU   9           HA       GLU   9   4.188  -3.177  -3.177
   64   1HB   GLU   9           HB2      GLU   9   5.087  -3.708  -3.708
   65   2HB   GLU   9           HB1      GLU   9   4.216  -2.262  -2.262
   66   1HG   GLU   9           HG2      GLU   9   5.924  -1.689  -1.689
   67   2HG   GLU   9           HG1      GLU   9   6.805  -3.178  -3.178
   68    HA   PRO  10           HA       PRO  10   0.457  -5.508  -5.508
   69   1HB   PRO  10           HB2      PRO  10  -0.513  -6.292  -6.292
   70   2HB   PRO  10           HB1      PRO  10   0.515  -7.351  -7.351
   71   1HG   PRO  10           HG2      PRO  10   0.941  -5.665  -5.665
   72   2HG   PRO  10           HG1      PRO  10   1.796  -7.221  -7.221
   73   1HD   PRO  10           HD2      PRO  10   2.803  -4.635  -4.635
   74   2HD   PRO  10           HD1      PRO  10   3.435  -6.009  -6.009
   75    H    TRP  11           HN       TRP  11   0.702  -2.722  -2.722
   76    HA   TRP  11           HA       TRP  11  -1.749  -2.167  -2.167
   77   1HB   TRP  11           HB2      TRP  11   0.591  -0.489  -0.489
   78   2HB   TRP  11           HB1      TRP  11  -0.616  -0.082  -0.082
   79    HD1  TRP  11           HD1      TRP  11   2.744  -1.507  -1.507
   80    HE1  TRP  11           HE1      TRP  11   3.359  -3.038  -3.038
   81    HE3  TRP  11           HE3      TRP  11  -1.861  -2.143  -2.143
   82    HZ2  TRP  11           HZ2      TRP  11   2.051  -4.366  -4.366
   83    HZ3  TRP  11           HZ3      TRP  11  -2.144  -3.546  -3.546
   84    HH2  TRP  11           HH2      TRP  11  -0.198  -4.654  -4.654
   85    H    ASN  12           HN       ASN  12  -1.546  -2.774  -2.774
   86    HA   ASN  12           HA       ASN  12  -2.444  -0.178  -0.178
   87   1HB   ASN  12           HB2      ASN  12  -1.958  -1.507  -1.507
   88   2HB   ASN  12           HB1      ASN  12  -0.634  -0.854  -0.854
   89   1HD2  ASN  12          HD22      ASN  12   0.606  -3.964  -3.964
   90   2HD2  ASN  12          HD21      ASN  12   0.479  -2.315  -2.315
   91    H    HIS  13           HN       HIS  13  -4.558  -0.392  -0.392
   92    HA   HIS  13           HA       HIS  13  -6.119  -2.818  -2.818
   93   1HB   HIS  13           HB2      HIS  13  -6.448  -0.447  -0.447
   94   2HB   HIS  13           HB1      HIS  13  -7.733  -1.659  -1.659
   95    HD1  HIS  13           HD1      HIS  13  -7.412  -2.382  -2.382
   96    HD2  HIS  13           HD2      HIS  13  -3.976  -2.852  -2.852
   97    HE1  HIS  13           HE1      HIS  13  -5.809  -3.771  -3.771
   98    HA   PRO  14           HA       PRO  14  -8.196  -0.503  -0.503
   99   1HB   PRO  14           HB2      PRO  14 -10.124  -2.518  -2.518
  100   2HB   PRO  14           HB1      PRO  14  -8.502  -2.530  -2.530
  101   1HG   PRO  14           HG2      PRO  14  -9.708  -3.765  -3.765
  102   2HG   PRO  14           HG1      PRO  14  -8.627  -4.517  -4.517
  103   1HD   PRO  14           HD2      PRO  14  -7.645  -3.687  -3.687
  104   2HD   PRO  14           HD1      PRO  14  -6.702  -3.571  -3.571
  105    H    GLY  15           HN       GLY  15  -9.397  -1.643  -1.643
  106   1HA   GLY  15           HA2      GLY  15 -10.974  -0.874  -0.874
  107   2HA   GLY  15           HA1      GLY  15 -11.424   0.458   0.458
  108    H    SER  16           HN       SER  16 -11.207  -2.933  -2.933
  109    HA   SER  16           HA       SER  16 -14.104  -3.472  -3.472
  110   1HB   SER  16           HB2      SER  16 -13.771  -2.193  -2.193
  111   2HB   SER  16           HB1      SER  16 -12.523  -3.323  -3.323
  112    HG   SER  16           HG       SER  16 -15.339  -3.577  -3.577
  113    H    GLN  17           HN       GLN  17 -11.181  -4.554  -4.554
  114    HA   GLN  17           HA       GLN  17 -11.865  -7.398  -7.398
  115   1HB   GLN  17           HB2      GLN  17  -9.558  -5.902  -5.902
  116   2HB   GLN  17           HB1      GLN  17  -9.398  -7.622  -7.622
  117   1HG   GLN  17           HG2      GLN  17 -10.498  -8.288  -8.288
  118   2HG   GLN  17           HG1      GLN  17 -11.862  -7.243  -7.243
  119   1HE2  GLN  17          HE22      GLN  17 -10.730  -4.767  -4.767
  120   2HE2  GLN  17          HE21      GLN  17 -11.832  -5.092  -5.092
  121    HA   PRO  18           HA       PRO  18  -8.401  -7.317  -7.317
  122   1HB   PRO  18           HB2      PRO  18  -7.068  -4.975  -4.975
  123   2HB   PRO  18           HB1      PRO  18  -6.515  -6.200  -6.200
  124   1HG   PRO  18           HG2      PRO  18  -8.153  -3.736  -3.736
  125   2HG   PRO  18           HG1      PRO  18  -6.700  -4.315  -4.315
  126   1HD   PRO  18           HD2      PRO  18  -9.185  -4.595  -4.595
  127   2HD   PRO  18           HD1      PRO  18  -7.980  -5.904  -5.904
  128    H    LYS  19           HN       LYS  19 -10.522  -4.624  -4.624
  129    HA   LYS  19           HA       LYS  19 -10.914  -4.117  -4.117
  130   1HB   LYS  19           HB2      LYS  19 -12.264  -2.864  -2.864
  131   2HB   LYS  19           HB1      LYS  19 -12.059  -2.145  -2.145
  132   1HG   LYS  19           HG2      LYS  19  -9.413  -2.531  -2.531
  133   2HG   LYS  19           HG1      LYS  19 -10.231  -2.361  -2.361
  134   1HD   LYS  19           HD2      LYS  19 -10.688  -0.085  -0.085
  135   2HD   LYS  19           HD1      LYS  19 -10.920  -0.405  -0.405
  136   1HE   LYS  19           HE2      LYS  19  -8.427  -0.710  -0.710
  137   2HE   LYS  19           HE1      LYS  19  -8.263  -0.166  -0.166
  138   1HZ   LYS  19           HZ3      LYS  19  -9.651   1.313   1.313
  139   2HZ   LYS  19           HZ2      LYS  19  -8.117   1.696   1.696
  140   3HZ   LYS  19           HZ1      LYS  19  -9.493   1.841   1.841
  141    H    THR  20           HN       THR  20 -12.269  -5.996  -5.996
  142    HA   THR  20           HA       THR  20 -14.516  -6.749  -6.749
  143    HB   THR  20           HB       THR  20 -15.320  -4.772  -4.772
  144    HG1  THR  20           HG1      THR  20 -16.423  -7.112  -7.112
  145   1HG2  THR  20          HG22      THR  20 -13.717  -5.137  -5.137
  146   2HG2  THR  20          HG21      THR  20 -14.956  -6.214  -6.214
  147   3HG2  THR  20          HG23      THR  20 -15.321  -4.510  -4.510
  148    H    ALA  21           HN       ALA  21 -13.102  -7.237  -7.237
  149    HA   ALA  21           HA       ALA  21 -14.194 -10.001 -10.001
  150   1HB   ALA  21           HB2      ALA  21 -14.020  -8.090  -8.090
  151   2HB   ALA  21           HB1      ALA  21 -12.503  -8.935  -8.935
  152   3HB   ALA  21           HB3      ALA  21 -14.032  -9.809  -9.809
  153    H    CYS  22           HN       CYS  22 -11.906  -9.166  -9.166
  154    HA   CYS  22           HA       CYS  22 -10.253 -11.456 -11.456
  155   1HB   CYS  22           HB2      CYS  22  -9.591 -10.137 -10.137
  156   2HB   CYS  22           HB1      CYS  22  -8.811  -9.094  -9.094
  157    HG   CYS  22           HG       CYS  22  -6.974 -10.740 -10.740
  158    H    ASN  23           HN       ASN  23 -11.444 -10.009 -10.009
  159    HA   ASN  23           HA       ASN  23  -9.779  -8.016  -8.016
  160   1HB   ASN  23           HB2      ASN  23 -12.342  -8.955  -8.955
  161   2HB   ASN  23           HB1      ASN  23 -11.590  -9.584  -9.584
  162   1HD2  ASN  23          HD22      ASN  23 -11.520  -5.511  -5.511
  163   2HD2  ASN  23          HD21      ASN  23 -11.223  -6.603  -6.603
  164    H    ARG  24           HN       ARG  24  -7.790  -8.480  -8.480
  165    HA   ARG  24           HA       ARG  24  -6.573 -10.937 -10.937
  166   1HB   ARG  24           HB2      ARG  24  -6.129  -8.051  -8.051
  167   2HB   ARG  24           HB1      ARG  24  -5.154  -9.147  -9.147
  168   1HG   ARG  24           HG2      ARG  24  -3.833  -8.825  -8.825
  169   2HG   ARG  24           HG1      ARG  24  -4.683 -10.321 -10.321
  170   1HD   ARG  24           HD2      ARG  24  -4.975  -8.995  -8.995
  171   2HD   ARG  24           HD1      ARG  24  -6.486  -8.893  -8.893
  172    HE   ARG  24           HE       ARG  24  -6.041  -6.620  -6.620
  173   1HH1  ARG  24          HH21      ARG  24  -3.844  -6.091  -6.091
  174   2HH1  ARG  24          HH22      ARG  24  -2.572  -5.627  -5.627
  175   1HH2  ARG  24          HH11      ARG  24  -4.120  -6.963  -6.963
  176   2HH2  ARG  24          HH12      ARG  24  -2.729  -6.124  -6.124
  177    H    CYS  25           HN       CYS  25  -7.534  -8.525  -8.525
  178    HA   CYS  25           HA       CYS  25  -8.636  -8.851  -8.851
  179   1HB   CYS  25           HB2      CYS  25  -9.342 -11.123 -11.123
  180   2HB   CYS  25           HB1      CYS  25  -8.165 -11.819 -11.819
  181    HG   CYS  25           HG       CYS  25 -10.605 -11.659 -11.659
  182    H    HIS  26           HN       HIS  26  -5.882  -8.254  -8.254
  183    HA   HIS  26           HA       HIS  26  -4.854  -8.910  -8.910
  184   1HB   HIS  26           HB2      HIS  26  -2.671  -9.932  -9.932
  185   2HB   HIS  26           HB1      HIS  26  -4.145 -10.900 -10.900
  186    HD1  HIS  26           HD1      HIS  26  -1.961  -9.554  -9.554
  187    HD2  HIS  26           HD2      HIS  26  -5.607 -11.532 -11.532
  188    HE1  HIS  26           HE1      HIS  26  -2.554 -10.392 -10.392
  189    H    CYS  27           HN       CYS  27  -3.634  -7.932  -7.932
  190    HA   CYS  27           HA       CYS  27  -1.976  -5.785  -5.785
  191   1HB   CYS  27           HB2      CYS  27  -2.818  -6.805  -6.805
  192   2HB   CYS  27           HB1      CYS  27  -2.017  -5.249  -5.249
  193    HG   CYS  27           HG       CYS  27  -0.125  -7.036  -7.036
  194    H    LYS  28           HN       LYS  28  -5.230  -6.229  -6.229
  195    HA   LYS  28           HA       LYS  28  -5.984  -3.503  -3.503
  196   1HB   LYS  28           HB2      LYS  28  -7.025  -5.332  -5.332
  197   2HB   LYS  28           HB1      LYS  28  -7.351  -6.040  -6.040
  198   1HG   LYS  28           HG2      LYS  28  -8.699  -3.795  -3.795
  199   2HG   LYS  28           HG1      LYS  28  -8.696  -3.602  -3.602
  200   1HD   LYS  28           HD2      LYS  28 -10.767  -4.682  -4.682
  201   2HD   LYS  28           HD1      LYS  28  -9.734  -5.821  -5.821
  202   1HE   LYS  28           HE2      LYS  28  -8.928  -6.722  -6.722
  203   2HE   LYS  28           HE1      LYS  28 -10.124  -5.684  -5.684
  204   1HZ   LYS  28           HZ2      LYS  28 -10.707  -7.667  -7.667
  205   2HZ   LYS  28           HZ1      LYS  28 -10.977  -7.932  -7.932
  206   3HZ   LYS  28           HZ3      LYS  28 -11.852  -6.731  -6.731
  207    H    LYS  29           HN       LYS  29  -6.019  -5.593  -5.593
  208    HA   LYS  29           HA       LYS  29  -7.336  -3.952  -3.952
  209   1HB   LYS  29           HB2      LYS  29  -5.201  -6.053  -6.053
  210   2HB   LYS  29           HB1      LYS  29  -5.519  -5.131  -5.131
  211   1HG   LYS  29           HG2      LYS  29  -6.942  -7.014  -7.014
  212   2HG   LYS  29           HG1      LYS  29  -7.980  -5.667  -5.667
  213   1HD   LYS  29           HD2      LYS  29  -8.250  -6.442  -6.442
  214   2HD   LYS  29           HD1      LYS  29  -6.735  -7.335  -7.335
  215   1HE   LYS  29           HE2      LYS  29  -8.141  -9.092  -9.092
  216   2HE   LYS  29           HE1      LYS  29  -7.916  -8.708  -8.708
  217   1HZ   LYS  29           HZ3      LYS  29 -10.074  -7.613  -7.613
  218   2HZ   LYS  29           HZ2      LYS  29 -10.319  -8.832  -8.832
  219   3HZ   LYS  29           HZ1      LYS  29  -9.890  -7.265  -7.265
  220    H    CYS  30           HN       CYS  30  -3.870  -4.086  -4.086
  221    HA   CYS  30           HA       CYS  30  -2.179  -2.517  -2.517
  222   1HB   CYS  30           HB2      CYS  30  -3.571  -1.780  -1.780
  223   2HB   CYS  30           HB1      CYS  30  -4.339  -0.537  -0.537
  224    HG   CYS  30           HG       CYS  30  -1.419  -0.619  -0.619
  225    H    CYS  31           HN       CYS  31  -4.186  -3.288  -3.288
  226    HA   CYS  31           HA       CYS  31  -4.451  -0.838  -0.838
  227   1HB   CYS  31           HB2      CYS  31  -5.523  -3.642  -3.642
  228   2HB   CYS  31           HB1      CYS  31  -5.539  -2.766  -2.766
  229    HG   CYS  31           HG       CYS  31  -7.747  -2.339  -2.339
  230    H    TYR  32           HN       TYR  32  -1.944  -2.515  -2.515
  231    HA   TYR  32           HA       TYR  32  -0.948  -2.975  -2.975
  232   1HB   TYR  32           HB2      TYR  32   0.820  -4.316  -4.316
  233   2HB   TYR  32           HB1      TYR  32  -0.778  -5.082  -5.082
  234    HD1  TYR  32           HD1      TYR  32   1.663  -3.445  -3.445
  235    HD2  TYR  32           HD2      TYR  32  -2.291  -5.118  -5.118
  236    HE1  TYR  32           HE1      TYR  32   1.535  -3.429  -3.429
  237    HE2  TYR  32           HE2      TYR  32  -2.404  -5.124  -5.124
  238    HH   TYR  32           HH       TYR  32  -0.641  -3.375  -3.375
  239    H    HIS  33           HN       HIS  33  -0.891  -0.428  -0.428
  240    HA   HIS  33           HA       HIS  33   0.539   1.448   1.448
  241   1HB   HIS  33           HB2      HIS  33   2.698  -0.716  -0.716
  242   2HB   HIS  33           HB1      HIS  33   2.952   1.010   1.010
  243    HD1  HIS  33           HD1      HIS  33   2.767   2.071   2.071
  244    HD2  HIS  33           HD2      HIS  33   1.790  -1.983  -1.983
  245    HE1  HIS  33           HE1      HIS  33   2.622   1.356   1.356
  246    H    CYS  34           HN       CYS  34  -0.299  -0.543  -0.543
  247    HA   CYS  34           HA       CYS  34  -0.478  -0.260  -0.260
  248   1HB   CYS  34           HB2      CYS  34  -0.729   2.340   2.340
  249   2HB   CYS  34           HB1      CYS  34   0.251   2.415   2.415
  250    HG   CYS  34           HG       CYS  34  -2.490   2.540   2.540
  251    H    GLN  35           HN       GLN  35   1.425  -1.496  -1.496
  252    HA   GLN  35           HA       GLN  35   3.875   0.100   0.100
  253   1HB   GLN  35           HB2      GLN  35   3.442  -2.860  -2.860
  254   2HB   GLN  35           HB1      GLN  35   5.014  -2.112  -2.112
  255   1HG   GLN  35           HG2      GLN  35   3.280  -1.815  -1.815
  256   2HG   GLN  35           HG1      GLN  35   4.973  -2.291  -2.291
  257   1HE2  GLN  35          HE22      GLN  35   4.190   1.537   1.537
  258   2HE2  GLN  35          HE21      GLN  35   3.085   0.264   0.264
  259    H    VAL  36           HN       VAL  36   1.308  -1.886  -1.886
  260    HA   VAL  36           HA       VAL  36   0.727  -2.451  -2.451
  261    HB   VAL  36           HB       VAL  36   2.821  -0.379  -0.379
  262   1HG1  VAL  36          HG11      VAL  36   0.391  -1.321  -1.321
  263   2HG1  VAL  36          HG13      VAL  36   0.988   0.326   0.326
  264   3HG1  VAL  36          HG12      VAL  36   2.025  -1.042  -1.042
  265   1HG2  VAL  36          HG22      VAL  36   0.047  -0.034  -0.034
  266   2HG2  VAL  36          HG21      VAL  36   1.536   0.796   0.796
  267   3HG2  VAL  36          HG23      VAL  36   0.749   1.175   1.175
  268    H    CYS  37           HN       CYS  37   2.210  -4.392  -4.392
  269    HA   CYS  37           HA       CYS  37   4.070  -5.887  -5.887
  270   1HB   CYS  37           HB2      CYS  37   1.930  -6.013  -6.013
  271   2HB   CYS  37           HB1      CYS  37   3.235  -5.929  -5.929
  272    HG   CYS  37           HG       CYS  37   2.538  -8.390  -8.390
  273    H    PHE  38           HN       PHE  38   5.632  -3.913  -3.913
  274    HA   PHE  38           HA       PHE  38   6.827  -3.060  -3.060
  275   1HB   PHE  38           HB2      PHE  38   8.193  -1.575  -1.575
  276   2HB   PHE  38           HB1      PHE  38   6.418  -1.527  -1.527
  277    HD1  PHE  38           HD1      PHE  38   7.434  -4.580  -4.580
  278    HD2  PHE  38           HD2      PHE  38   7.654  -0.356  -0.356
  279    HE1  PHE  38           HE1      PHE  38   7.771  -5.027  -5.027
  280    HE2  PHE  38           HE2      PHE  38   7.987  -0.813  -0.813
  281    HZ   PHE  38           HZ       PHE  38   8.052  -3.150  -3.150
  282    H    ILE  39           HN       ILE  39   9.511  -3.017  -3.017
  283    HA   ILE  39           HA       ILE  39  10.817  -5.095  -5.095
  284    HB   ILE  39           HB       ILE  39  12.713  -4.562  -4.562
  285   1HG1  ILE  39          HG12      ILE  39  11.269  -2.419  -2.419
  286   2HG1  ILE  39          HG11      ILE  39  10.763  -3.986  -3.986
  287   1HG2  ILE  39          HG22      ILE  39  12.102  -3.107  -3.107
  288   2HG2  ILE  39          HG21      ILE  39  11.165  -2.097  -2.097
  289   3HG2  ILE  39          HG23      ILE  39  12.913  -2.232  -2.232
  290   1HD1  ILE  39          HD12      ILE  39  13.641  -3.134  -3.134
  291   2HD1  ILE  39          HD11      ILE  39  12.651  -3.214  -3.214
  292   3HD1  ILE  39          HD13      ILE  39  13.037  -4.689  -4.689
  293    H    THR  40           HN       THR  40   9.480  -5.161  -5.161
  294    HA   THR  40           HA       THR  40  10.419  -7.986  -7.986
  295    HB   THR  40           HB       THR  40   9.342  -6.055  -6.055
  296    HG1  THR  40           HG1      THR  40  12.006  -6.678  -6.678
  297   1HG2  THR  40          HG21      THR  40   9.764  -8.802  -8.802
  298   2HG2  THR  40          HG23      THR  40  11.230  -8.118  -8.118
  299   3HG2  THR  40          HG22      THR  40   9.654  -7.702  -7.702
  300    H    LYS  41           HN       LYS  41   8.939  -9.638  -9.638
  301    HA   LYS  41           HA       LYS  41   6.188  -9.218  -9.218
  302   1HB   LYS  41           HB2      LYS  41   6.042 -11.649 -11.649
  303   2HB   LYS  41           HB1      LYS  41   7.539 -11.227 -11.227
  304   1HG   LYS  41           HG2      LYS  41   8.569 -12.475 -12.475
  305   2HG   LYS  41           HG1      LYS  41   8.382 -11.090 -11.090
  306   1HD   LYS  41           HD2      LYS  41   5.942 -12.696 -12.696
  307   2HD   LYS  41           HD1      LYS  41   7.339 -13.677 -13.677
  308   1HE   LYS  41           HE2      LYS  41   7.516 -12.750 -12.750
  309   2HE   LYS  41           HE1      LYS  41   7.409 -11.104 -11.104
  310   1HZ   LYS  41           HZ1      LYS  41   5.078 -12.908 -12.908
  311   2HZ   LYS  41           HZ3      LYS  41   5.477 -11.703 -11.703
  312   3HZ   LYS  41           HZ2      LYS  41   5.079 -11.273 -11.273
  313    H    GLY  42           HN       GLY  42   7.758  -9.001  -9.001
  314   1HA   GLY  42           HA2      GLY  42   5.633  -9.854  -9.854
  315   2HA   GLY  42           HA1      GLY  42   6.952  -8.767  -8.767
  316    H    LEU  43           HN       LEU  43   5.969  -7.092  -7.092
  317    HA   LEU  43           HA       LEU  43   4.445  -5.360  -5.360
  318   1HB   LEU  43           HB2      LEU  43   2.742  -6.646  -6.646
  319   2HB   LEU  43           HB1      LEU  43   2.290  -5.442  -5.442
  320    HG   LEU  43           HG       LEU  43   3.351  -8.087  -8.087
  321   1HD1  LEU  43          HD12      LEU  43   0.765  -7.261  -7.261
  322   2HD1  LEU  43          HD11      LEU  43   0.640  -8.085  -8.085
  323   3HD1  LEU  43          HD13      LEU  43   1.446  -8.876  -8.876
  324   1HD2  LEU  43          HD22      LEU  43   3.502  -6.152  -6.152
  325   2HD2  LEU  43          HD21      LEU  43   2.347  -7.356  -7.356
  326   3HD2  LEU  43          HD23      LEU  43   1.769  -5.877  -5.877
  327    H    GLY  44           HN       GLY  44   6.675  -4.951  -4.951
  328   1HA   GLY  44           HA2      GLY  44   7.570  -3.614  -3.614
  329   2HA   GLY  44           HA1      GLY  44   6.445  -2.405  -2.405
  330    H    ILE  45           HN       ILE  45   6.160  -5.514  -5.514
  331    HA   ILE  45           HA       ILE  45   4.312  -4.287  -4.287
  332    HB   ILE  45           HB       ILE  45   4.080  -6.721  -6.721
  333   1HG1  ILE  45          HG12      ILE  45   5.742  -7.189  -7.189
  334   2HG1  ILE  45          HG11      ILE  45   6.351  -7.456  -7.456
  335   1HG2  ILE  45          HG21      ILE  45   3.596  -5.867  -5.867
  336   2HG2  ILE  45          HG23      ILE  45   2.925  -7.343  -7.343
  337   3HG2  ILE  45          HG22      ILE  45   2.470  -5.773  -5.773
  338   1HD1  ILE  45          HD12      ILE  45   4.614  -9.027  -9.027
  339   2HD1  ILE  45          HD11      ILE  45   4.058  -8.969  -8.969
  340   3HD1  ILE  45          HD13      ILE  45   5.672  -9.575  -9.575
  341    H    SER  46           HN       SER  46   7.453  -6.048  -6.048
  342    HA   SER  46           HA       SER  46   8.373  -4.518  -4.518
  343   1HB   SER  46           HB2      SER  46   8.334  -6.458  -6.458
  344   2HB   SER  46           HB1      SER  46   6.731  -5.911  -5.911
  345    HG   SER  46           HG       SER  46   6.402  -7.709  -7.709
  346    H    TYR  47           HN       TYR  47   9.233  -6.114  -6.114
  347    HA   TYR  47           HA       TYR  47  11.510  -7.678  -7.678
  348   1HB   TYR  47           HB2      TYR  47  11.862  -8.072  -8.072
  349   2HB   TYR  47           HB1      TYR  47  10.097  -7.968  -7.968
  350    HD1  TYR  47           HD1      TYR  47  12.993  -5.934  -5.934
  351    HD2  TYR  47           HD2      TYR  47   8.736  -6.482  -6.482
  352    HE1  TYR  47           HE1      TYR  47  12.712  -4.110  -4.110
  353    HE2  TYR  47           HE2      TYR  47   8.450  -4.674  -4.674
  354    HH   TYR  47           HH       TYR  47  10.316  -2.432  -2.432
  355    H    GLY  48           HN       GLY  48  10.934  -4.344  -4.344
  356   1HA   GLY  48           HA2      GLY  48  12.785  -2.842  -2.842
  357   2HA   GLY  48           HA1      GLY  48  13.880  -3.758  -3.758
  358    H    ARG  49           HN       ARG  49  10.728  -2.091  -2.091
  359    HA   ARG  49           HA       ARG  49  11.079  -1.508  -1.508
  360   1HB   ARG  49           HB2      ARG  49   8.933  -1.924  -1.924
  361   2HB   ARG  49           HB1      ARG  49   9.176  -0.496  -0.496
  362   1HG   ARG  49           HG2      ARG  49   9.547   0.479   0.479
  363   2HG   ARG  49           HG1      ARG  49   8.262  -0.716  -0.716
  364   1HD   ARG  49           HD2      ARG  49   8.267   1.641   1.641
  365   2HD   ARG  49           HD1      ARG  49   7.218   1.414   1.414
  366    HE   ARG  49           HE       ARG  49   6.928  -0.933  -0.933
  367   1HH1  ARG  49          HH11      ARG  49   5.564   2.136   2.136
  368   2HH1  ARG  49          HH12      ARG  49   4.751   2.081   2.081
  369   1HH2  ARG  49          HH21      ARG  49   6.281  -0.866  -0.866
  370   2HH2  ARG  49          HH22      ARG  49   5.158   0.382   0.382
  371    H    LYS  50           HN       LYS  50  12.077   0.229   0.229
  372    HA   LYS  50           HA       LYS  50  13.170   2.353   2.353
  373   1HB   LYS  50           HB2      LYS  50  14.212   3.058   3.058
  374   2HB   LYS  50           HB1      LYS  50  14.564   1.390   1.390
  375   1HG   LYS  50           HG2      LYS  50  12.091   1.583   1.583
  376   2HG   LYS  50           HG1      LYS  50  13.469   2.352   2.352
  377   1HD   LYS  50           HD2      LYS  50  14.754   0.238   0.238
  378   2HD   LYS  50           HD1      LYS  50  13.359  -0.477  -0.477
  379   1HE   LYS  50           HE2      LYS  50  13.248  -1.222  -1.222
  380   2HE   LYS  50           HE1      LYS  50  11.981   0.004   0.004
  381   1HZ   LYS  50           HZ2      LYS  50  14.760   0.662   0.662
  382   2HZ   LYS  50           HZ1      LYS  50  13.558   0.249   0.249
  383   3HZ   LYS  50           HZ3      LYS  50  13.368   1.626   1.626
  384    H    LYS  51           HN       LYS  51  10.609   1.836   1.836
  385    HA   LYS  51           HA       LYS  51   8.891   3.911   3.911
  386   1HB   LYS  51           HB2      LYS  51   9.390   5.601   5.601
  387   2HB   LYS  51           HB1      LYS  51  10.601   5.549   5.549
  388   1HG   LYS  51           HG2      LYS  51  11.325   3.568   3.568
  389   2HG   LYS  51           HG1      LYS  51  10.823   5.050   5.050
  390   1HD   LYS  51           HD2      LYS  51  12.793   5.162   5.162
  391   2HD   LYS  51           HD1      LYS  51  13.270   4.928   4.928
  392   1HE   LYS  51           HE2      LYS  51  11.907   7.030   7.030
  393   2HE   LYS  51           HE1      LYS  51  11.777   7.288   7.288
  394   1HZ   LYS  51           HZ3      LYS  51  14.194   7.126   7.126
  395   2HZ   LYS  51           HZ2      LYS  51  14.314   6.913   6.913
  396   3HZ   LYS  51           HZ1      LYS  51  13.751   8.384   8.384
  397    H    ARG  52           HN       ARG  52   8.485   4.602   4.602
  398    HA   ARG  52           HA       ARG  52   7.235   1.973   1.973
  399   1HB   ARG  52           HB2      ARG  52   6.339   4.630   4.630
  400   2HB   ARG  52           HB1      ARG  52   5.410   3.166   3.166
  401   1HG   ARG  52           HG2      ARG  52   4.574   4.203   4.203
  402   2HG   ARG  52           HG1      ARG  52   6.032   3.627   3.627
  403   1HD   ARG  52           HD2      ARG  52   5.612   6.079   6.079
  404   2HD   ARG  52           HD1      ARG  52   7.152   5.809   5.809
  405    HE   ARG  52           HE       ARG  52   6.134   6.477   6.477
  406   1HH1  ARG  52          HH11      ARG  52   3.530   5.899   5.899
  407   2HH1  ARG  52          HH12      ARG  52   2.642   7.316   7.316
  408   1HH2  ARG  52          HH21      ARG  52   5.209   8.672   8.672
  409   2HH2  ARG  52          HH22      ARG  52   3.590   8.884   8.884
  410    H    ARG  53           HN       ARG  53   9.707   4.133   4.133
  411    HA   ARG  53           HA       ARG  53  11.087   4.422   4.422
  412   1HB   ARG  53           HB2      ARG  53  10.975   1.954   1.954
  413   2HB   ARG  53           HB1      ARG  53   9.748   1.833   1.833
  414   1HG   ARG  53           HG2      ARG  53  11.892   1.404   1.404
  415   2HG   ARG  53           HG1      ARG  53  11.421   3.016   3.016
  416   1HD   ARG  53           HD2      ARG  53  12.820   3.947   3.947
  417   2HD   ARG  53           HD1      ARG  53  13.404   2.295   2.295
  418    HE   ARG  53           HE       ARG  53  14.614   2.467   2.467
  419   1HH1  ARG  53          HH21      ARG  53  12.768   3.134   3.134
  420   2HH1  ARG  53          HH22      ARG  53  13.065   4.801   4.801
  421   1HH2  ARG  53          HH11      ARG  53  14.791   5.419   5.419
  422   2HH2  ARG  53          HH12      ARG  53  14.214   6.098   6.098
  423    H    GLN  54           HN       GLN  54   8.195   5.389   5.389
  424    HA   GLN  54           HA       GLN  54   6.802   6.675   6.675
  425   1HB   GLN  54           HB2      GLN  54   9.273   6.336   6.336
  426   2HB   GLN  54           HB1      GLN  54   7.767   7.021   7.021
  427   1HG   GLN  54           HG2      GLN  54   9.600   7.854   7.854
  428   2HG   GLN  54           HG1      GLN  54   9.253   8.794   8.794
  429   1HE2  GLN  54          HE22      GLN  54   6.841   9.245   9.245
  430   2HE2  GLN  54          HE21      GLN  54   8.291   8.349   8.349
  431    H    ARG  55           HN       ARG  55   7.690   3.450   3.450
  432    HA   ARG  55           HA       ARG  55   6.661   1.920   1.920
  433   1HB   ARG  55           HB2      ARG  55   4.239   3.550   3.550
  434   2HB   ARG  55           HB1      ARG  55   4.305   1.857   1.857
  435   1HG   ARG  55           HG2      ARG  55   5.665   1.306   1.306
  436   2HG   ARG  55           HG1      ARG  55   5.572   2.984   2.984
  437   1HD   ARG  55           HD2      ARG  55   3.233   1.146   1.146
  438   2HD   ARG  55           HD1      ARG  55   3.867   1.614   1.614
  439    HE   ARG  55           HE       ARG  55   2.166   3.241   3.241
  440   1HH1  ARG  55          HH21      ARG  55   3.807   5.300   5.300
  441   2HH1  ARG  55          HH22      ARG  55   4.075   6.121   6.121
  442   1HH2  ARG  55          HH11      ARG  55   2.985   3.466   3.466
  443   2HH2  ARG  55          HH12      ARG  55   3.608   5.081   5.081
  444    H    ARG  56           HN       ARG  56   7.714   4.350   4.350
  445    HA   ARG  56           HA       ARG  56   7.697   5.454   5.454
  446   1HB   ARG  56           HB2      ARG  56   5.868   3.064   3.064
  447   2HB   ARG  56           HB1      ARG  56   5.995   4.320   4.320
  448   1HG   ARG  56           HG2      ARG  56   7.632   2.434   2.434
  449   2HG   ARG  56           HG1      ARG  56   8.321   4.071   4.071
  450   1HD   ARG  56           HD2      ARG  56   8.850   3.737   3.737
  451   2HD   ARG  56           HD1      ARG  56   8.146   2.143   2.143
  452    HE   ARG  56           HE       ARG  56   9.922   1.621   1.621
  453   1HH1  ARG  56          HH11      ARG  56  10.521   4.758   4.758
  454   2HH1  ARG  56          HH12      ARG  56  12.124   4.668   4.668
  455   1HH2  ARG  56          HH21      ARG  56  11.899   1.291   1.291
  456   2HH2  ARG  56          HH22      ARG  56  12.905   2.703   2.703
  457    H    ARG  57           HN       ARG  57   6.710   7.097   7.097
  458    HA   ARG  57           HA       ARG  57   3.922   7.672   7.672
  459   1HB   ARG  57           HB2      ARG  57   5.812   8.508   8.508
  460   2HB   ARG  57           HB1      ARG  57   6.210   9.656   9.656
  461   1HG   ARG  57           HG2      ARG  57   4.777  10.904  10.904
  462   2HG   ARG  57           HG1      ARG  57   3.687  10.299  10.299
  463   1HD   ARG  57           HD2      ARG  57   2.413   9.393   9.393
  464   2HD   ARG  57           HD1      ARG  57   3.729   8.258   8.258
  465    HE   ARG  57           HE       ARG  57   4.508   9.731   9.731
  466   1HH1  ARG  57          HH11      ARG  57   4.095  12.397  12.397
  467   2HH1  ARG  57          HH12      ARG  57   2.728  13.004  13.004
  468   1HH2  ARG  57          HH21      ARG  57   1.741   9.878   9.878
  469   2HH2  ARG  57          HH22      ARG  57   1.393  11.575  11.575
  470    HA   PRO  58           HA       PRO  58   4.821  10.798  10.798
  471   1HB   PRO  58           HB2      PRO  58   6.954  10.209  10.209
  472   2HB   PRO  58           HB1      PRO  58   7.070  11.278  11.278
  473   1HG   PRO  58           HG2      PRO  58   7.784   8.384   8.384
  474   2HG   PRO  58           HG1      PRO  58   8.668   9.699   9.699
  475   1HD   PRO  58           HD2      PRO  58   7.245   7.914   7.914
  476   2HD   PRO  58           HD1      PRO  58   7.398   9.564   9.564
  477    H    SER  59           HN       SER  59   5.159   7.335   7.335
  478    HA   SER  59           HA       SER  59   4.249   7.182   7.182
  479   1HB   SER  59           HB2      SER  59   5.921   5.630   5.630
  480   2HB   SER  59           HB1      SER  59   4.625   5.024   5.024
  481    HG   SER  59           HG       SER  59   5.219   4.160   4.160
  482    H    GLN  60           HN       GLN  60   2.093   7.632   7.632
  483    HA   GLN  60           HA       GLN  60   0.085   6.138   6.138
  484   1HB   GLN  60           HB2      GLN  60   0.538   9.098   9.098
  485   2HB   GLN  60           HB1      GLN  60  -1.129   8.505   8.505
  486   1HG   GLN  60           HG2      GLN  60  -0.744   7.158   7.158
  487   2HG   GLN  60           HG1      GLN  60   0.971   7.569   7.569
  488   1HE2  GLN  60          HE22      GLN  60   0.546  10.476  10.476
  489   2HE2  GLN  60          HE21      GLN  60   1.523   9.148   9.148
  490    H    GLY  61           HN       GLY  61   1.169   6.475   6.475
  491   1HA   GLY  61           HA2      GLY  61  -1.024   7.492   7.492
  492   2HA   GLY  61           HA1      GLY  61   0.264   6.439   6.439
  493    H    GLY  62           HN       GLY  62  -2.974   6.629   6.629
  494   1HA   GLY  62           HA2      GLY  62  -4.695   5.046   5.046
  495   2HA   GLY  62           HA1      GLY  62  -3.857   4.181   4.181
  496    H    GLN  63           HN       GLN  63  -2.331   4.906   4.906
  497    HA   GLN  63           HA       GLN  63  -1.701   2.100   2.100
  498   1HB   GLN  63           HB2      GLN  63  -1.265   4.708   4.708
  499   2HB   GLN  63           HB1      GLN  63  -0.759   3.177   3.177
  500   1HG   GLN  63           HG2      GLN  63   0.004   4.382   4.382
  501   2HG   GLN  63           HG1      GLN  63   1.051   4.326   4.326
  502   1HE2  GLN  63          HE22      GLN  63   0.912   0.486   0.486
  503   2HE2  GLN  63          HE21      GLN  63   0.222   1.502   1.502
  504    H    THR  64           HN       THR  64  -4.014   4.418   4.418
  505    HA   THR  64           HA       THR  64  -5.633   4.107   4.107
  506    HB   THR  64           HB       THR  64  -5.480   1.282   1.282
  507    HG1  THR  64           HG1      THR  64  -6.089   2.183   2.183
  508   1HG2  THR  64          HG22      THR  64  -6.843   1.938   1.938
  509   2HG2  THR  64          HG21      THR  64  -7.939   2.705   2.705
  510   3HG2  THR  64          HG23      THR  64  -7.631   0.972   0.972
  511    H    HIS  65           HN       HIS  65  -3.028   4.063   4.063
  512    HA   HIS  65           HA       HIS  65  -2.281   1.711   1.711
  513   1HB   HIS  65           HB2      HIS  65  -1.597   4.579   4.579
  514   2HB   HIS  65           HB1      HIS  65  -1.091   3.774   3.774
  515    HD1  HIS  65           HD1      HIS  65   0.622   5.047   5.047
  516    HD2  HIS  65           HD2      HIS  65  -0.347   0.997   0.997
  517    HE1  HIS  65           HE1      HIS  65   2.249   3.811   3.811
  518    H    GLN  66           HN       GLN  66  -2.019   2.146   2.146
  519    HA   GLN  66           HA       GLN  66  -4.743   2.859   2.859
  520   1HB   GLN  66           HB2      GLN  66  -2.761   0.745   0.745
  521   2HB   GLN  66           HB1      GLN  66  -4.073   1.113   1.113
  522   1HG   GLN  66           HG2      GLN  66  -5.418  -0.230  -0.230
  523   2HG   GLN  66           HG1      GLN  66  -5.320   0.906   0.906
  524   1HE2  GLN  66          HE22      GLN  66  -2.792  -1.041  -1.041
  525   2HE2  GLN  66          HE21      GLN  66  -3.262   0.558   0.558
  526    H    ASP  67           HN       ASP  67  -1.500   2.420   2.420
  527    HA   ASP  67           HA       ASP  67  -2.037   4.398   4.398
  528   1HB   ASP  67           HB2      ASP  67  -0.725   2.270   2.270
  529   2HB   ASP  67           HB1      ASP  67   0.468   3.091   3.091
  530    HA   PRO  68           HA       PRO  68   1.081   7.002   7.002
  531   1HB   PRO  68           HB2      PRO  68   1.582   6.392   6.392
  532   2HB   PRO  68           HB1      PRO  68   2.474   5.699   5.699
  533   1HG   PRO  68           HG2      PRO  68   0.482   4.468   4.468
  534   2HG   PRO  68           HG1      PRO  68   1.694   3.675   3.675
  535   1HD   PRO  68           HD2      PRO  68  -0.999   3.869   3.869
  536   2HD   PRO  68           HD1      PRO  68   0.332   3.216   3.216
  537    H    ILE  69           HN       ILE  69  -1.898   5.956   5.956
  538    HA   ILE  69           HA       ILE  69  -2.310   8.738   8.738
  539    HB   ILE  69           HB       ILE  69  -1.670   6.886   6.886
  540   1HG1  ILE  69          HG12      ILE  69  -3.463   8.896   8.896
  541   2HG1  ILE  69          HG11      ILE  69  -2.690   8.071   8.071
  542   1HG2  ILE  69          HG22      ILE  69  -4.421   5.892   5.892
  543   2HG2  ILE  69          HG21      ILE  69  -3.478   5.289   5.289
  544   3HG2  ILE  69          HG23      ILE  69  -2.889   5.072   5.072
  545   1HD1  ILE  69          HD13      ILE  69  -4.505   6.415   6.415
  546   2HD1  ILE  69          HD12      ILE  69  -5.365   7.305   7.305
  547   3HD1  ILE  69          HD11      ILE  69  -5.118   8.032   8.032
  548    HA   PRO  70           HA       PRO  70  -6.040   6.742   6.742
  549   1HB   PRO  70           HB2      PRO  70  -5.604   7.530   7.530
  550   2HB   PRO  70           HB1      PRO  70  -5.101   5.941   5.941
  551   1HG   PRO  70           HG2      PRO  70  -3.562   8.457   8.457
  552   2HG   PRO  70           HG1      PRO  70  -3.065   6.775   6.775
  553   1HD   PRO  70           HD2      PRO  70  -2.251   8.277   8.277
  554   2HD   PRO  70           HD1      PRO  70  -2.492   6.498   6.498
  555    H    LYS  71           HN       LYS  71  -4.664   9.746   9.746
  556    HA   LYS  71           HA       LYS  71  -6.723  11.299  11.299
  557   1HB   LYS  71           HB2      LYS  71  -5.389  13.219  13.219
  558   2HB   LYS  71           HB1      LYS  71  -4.396  12.029  12.029
  559   1HG   LYS  71           HG2      LYS  71  -4.313  11.193  11.193
  560   2HG   LYS  71           HG1      LYS  71  -4.212  12.967  12.967
  561   1HD   LYS  71           HD2      LYS  71  -2.101  12.046  12.046
  562   2HD   LYS  71           HD1      LYS  71  -2.363  12.925  12.925
  563   1HE   LYS  71           HE2      LYS  71  -2.905  10.659  10.659
  564   2HE   LYS  71           HE1      LYS  71  -2.465   9.898   9.898
  565   1HZ   LYS  71           HZ2      LYS  71  -0.710  11.731  11.731
  566   2HZ   LYS  71           HZ1      LYS  71  -0.571  10.039  10.039
  567   3HZ   LYS  71           HZ3      LYS  71  -0.297  10.923  10.923
  568    H    GLN  72           HN       GLN  72  -5.844  10.398  10.398
  569    HA   GLN  72           HA       GLN  72  -8.547  10.956  10.956
  570   1HB   GLN  72           HB2      GLN  72  -7.166  12.548  12.548
  571   2HB   GLN  72           HB1      GLN  72  -8.049  13.152  13.152
  572   1HG   GLN  72           HG2      GLN  72  -6.033  14.165  14.165
  573   2HG   GLN  72           HG1      GLN  72  -5.812  12.917  12.917
  574   1HE2  GLN  72          HE22      GLN  72  -3.396  11.327  11.327
  575   2HE2  GLN  72          HE21      GLN  72  -4.534  10.838  10.838
  576    HA   PRO  73           HA       PRO  73  -7.183   7.949   7.949
  577   1HB   PRO  73           HB2      PRO  73  -8.513   8.689   8.689
  578   2HB   PRO  73           HB1      PRO  73  -9.339   7.858   7.858
  579   1HG   PRO  73           HG2      PRO  73  -9.189  10.810  10.810
  580   2HG   PRO  73           HG1      PRO  73 -10.643   9.844   9.844
  581   1HD   PRO  73           HD2      PRO  73  -9.335  11.362  11.362
  582   2HD   PRO  73           HD1      PRO  73  -9.949   9.771   9.771
  583    H    SER  74           HN       SER  74  -7.438  11.283  11.283
  584    HA   SER  74           HA       SER  74  -5.992  12.550  12.550
  585   1HB   SER  74           HB2      SER  74  -4.947  11.817  11.817
  586   2HB   SER  74           HB1      SER  74  -3.691  11.233  11.233
  587    HG   SER  74           HG       SER  74  -4.375  13.831  13.831
  588    H    SER  75           HN       SER  75  -6.733  10.191  10.191
  589    HA   SER  75           HA       SER  75  -4.928  10.064  10.064
  590   1HB   SER  75           HB2      SER  75  -3.934   8.666   8.666
  591   2HB   SER  75           HB1      SER  75  -4.266   7.544   7.544
  592    HG   SER  75           HG       SER  75  -2.993   8.791   8.791
  593    H    GLN  76           HN       GLN  76  -6.972   7.996   7.996
  594    HA   GLN  76           HA       GLN  76  -7.734   6.156   6.156
  595   1HB   GLN  76           HB2      GLN  76  -8.883   6.875   6.875
  596   2HB   GLN  76           HB1      GLN  76  -9.506   5.580   5.580
  597   1HG   GLN  76           HG2      GLN  76  -7.989   4.305   4.305
  598   2HG   GLN  76           HG1      GLN  76  -6.845   4.992   4.992
  599   1HE2  GLN  76          HE22      GLN  76  -5.128   6.891   6.891
  600   2HE2  GLN  76          HE21      GLN  76  -5.238   6.430   6.430
  601    HA   PRO  77           HA       PRO  77 -11.742   8.837   8.837
  602   1HB   PRO  77           HB2      PRO  77 -11.564  11.395  11.395
  603   2HB   PRO  77           HB1      PRO  77 -12.101   9.960   9.960
  604   1HG   PRO  77           HG2      PRO  77  -9.474  11.302  11.302
  605   2HG   PRO  77           HG1      PRO  77 -10.385  10.698  10.698
  606   1HD   PRO  77           HD2      PRO  77  -8.323   9.393   9.393
  607   2HD   PRO  77           HD1      PRO  77  -9.743   8.540   8.540
  608    H    ARG  78           HN       ARG  78  -8.521   9.872   9.872
  609    HA   ARG  78           HA       ARG  78  -9.409  11.339  11.339
  610   1HB   ARG  78           HB2      ARG  78  -8.014  13.299  13.299
  611   2HB   ARG  78           HB1      ARG  78  -9.115  12.760  12.760
  612   1HG   ARG  78           HG2      ARG  78  -7.475  11.698  11.698
  613   2HG   ARG  78           HG1      ARG  78  -6.294  11.803  11.803
  614   1HD   ARG  78           HD2      ARG  78  -6.330  14.292  14.292
  615   2HD   ARG  78           HD1      ARG  78  -7.423  14.120  14.120
  616    HE   ARG  78           HE       ARG  78  -5.108  12.387  12.387
  617   1HH1  ARG  78          HH11      ARG  78  -6.685  14.641  14.641
  618   2HH1  ARG  78          HH12      ARG  78  -5.301  15.518  15.518
  619   1HH2  ARG  78          HH21      ARG  78  -3.093  13.939  13.939
  620   2HH2  ARG  78          HH22      ARG  78  -3.262  15.119  15.119
  621    H    GLY  79           HN       GLY  79  -8.105   8.693   8.693
  622   1HA   GLY  79           HA2      GLY  79  -5.761   9.195   9.195
  623   2HA   GLY  79           HA1      GLY  79  -5.422   8.426   8.426
  624    H    ASP  80           HN       ASP  80  -5.444   6.242   6.242
  625    HA   ASP  80           HA       ASP  80  -6.301   4.778   4.778
  626   1HB   ASP  80           HB2      ASP  80  -5.322   3.974   3.974
  627   2HB   ASP  80           HB1      ASP  80  -5.598   2.833   2.833
  628    HA   PRO  81           HA       PRO  81 -10.454   3.974   3.974
  629   1HB   PRO  81           HB2      PRO  81 -10.944   1.707   1.707
  630   2HB   PRO  81           HB1      PRO  81 -10.851   3.326   3.326
  631   1HG   PRO  81           HG2      PRO  81  -8.785   1.174   1.174
  632   2HG   PRO  81           HG1      PRO  81  -9.219   2.271   2.271
  633   1HD   PRO  81           HD2      PRO  81  -7.040   2.629   2.629
  634   2HD   PRO  81           HD1      PRO  81  -7.896   3.968   3.968
  635    H    THR  82           HN       THR  82  -9.666   3.448   3.448
  636    HA   THR  82           HA       THR  82  -8.802   0.837   0.837
  637    HB   THR  82           HB       THR  82  -9.972   1.815   1.815
  638    HG1  THR  82           HG1      THR  82  -9.372   4.252   4.252
  639   1HG2  THR  82          HG21      THR  82  -7.443   1.636   1.636
  640   2HG2  THR  82          HG23      THR  82  -7.611   3.391   3.391
  641   3HG2  THR  82          HG22      THR  82  -7.857   2.486   2.486
  642    H    GLY  83           HN       GLY  83 -11.977   2.305   2.305
  643   1HA   GLY  83           HA2      GLY  83 -13.486   0.047   0.047
  644   2HA   GLY  83           HA1      GLY  83 -13.253  -0.039  -0.039
  645    HA   PRO  84           HA       PRO  84 -16.562   2.970   2.970
  646   1HB   PRO  84           HB2      PRO  84 -17.059   2.651   2.651
  647   2HB   PRO  84           HB1      PRO  84 -17.511   1.455   1.455
  648   1HG   PRO  84           HG2      PRO  84 -15.473   1.278   1.278
  649   2HG   PRO  84           HG1      PRO  84 -16.081   0.015   0.015
  650   1HD   PRO  84           HD2      PRO  84 -13.740   1.758   1.758
  651   2HD   PRO  84           HD1      PRO  84 -13.855   0.188   0.188
  652    H    LYS  85           HN       LYS  85 -13.463   3.524   3.524
  653    HA   LYS  85           HA       LYS  85 -14.079   5.852   5.852
  654   1HB   LYS  85           HB2      LYS  85 -11.534   4.575   4.575
  655   2HB   LYS  85           HB1      LYS  85 -11.574   5.942   5.942
  656   1HG   LYS  85           HG2      LYS  85 -12.371   4.672   4.672
  657   2HG   LYS  85           HG1      LYS  85 -13.179   3.519   3.519
  658   1HD   LYS  85           HD2      LYS  85 -11.261   2.433   2.433
  659   2HD   LYS  85           HD1      LYS  85 -11.000   2.614   2.614
  660   1HE   LYS  85           HE2      LYS  85  -8.947   3.332   3.332
  661   2HE   LYS  85           HE1      LYS  85  -9.803   4.841   4.841
  662   1HZ   LYS  85           HZ1      LYS  85 -10.117   3.425   3.425
  663   2HZ   LYS  85           HZ3      LYS  85  -8.930   4.612   4.612
  664   3HZ   LYS  85           HZ2      LYS  85 -10.573   5.016   5.016
  665    H    GLU  86           HN       GLU  86 -14.316   5.492   5.492
  666    HA   GLU  86           HA       GLU  86 -12.706   7.710   7.710
  667   1HB   GLU  86           HB2      GLU  86 -14.986   6.045   6.045
  668   2HB   GLU  86           HB1      GLU  86 -14.108   7.244   7.244
  669   1HG   GLU  86           HG2      GLU  86 -12.009   6.005   6.005
  670   2HG   GLU  86           HG1      GLU  86 -13.124   4.757   4.757

  Start of MODEL    7
    1   1H    LEU   1           HT3      LEU   1  15.246 -10.976 -10.976
    2   2H    LEU   1           HT2      LEU   1  13.741 -11.717 -11.717
    3   3H    LEU   1           HT1      LEU   1  14.482 -10.815 -10.815
    4    HA   LEU   1           HA       LEU   1  12.694  -9.528  -9.528
    5   1HB   LEU   1           HB2      LEU   1  12.736  -9.076  -9.076
    6   2HB   LEU   1           HB1      LEU   1  12.838 -10.823 -10.823
    7    HG   LEU   1           HG       LEU   1  15.505 -10.025 -10.025
    8   1HD1  LEU   1          HD13      LEU   1  14.005  -8.044  -8.044
    9   2HD1  LEU   1          HD12      LEU   1  15.200  -8.875  -8.875
   10   3HD1  LEU   1          HD11      LEU   1  15.700  -8.059  -8.059
   11   1HD2  LEU   1          HD21      LEU   1  13.662 -11.346 -11.346
   12   2HD2  LEU   1          HD23      LEU   1  15.079 -11.986 -11.986
   13   3HD2  LEU   1          HD22      LEU   1  15.279 -10.917 -10.917
   14    H    ASP   2           HN       ASP   2  12.956  -7.206  -7.206
   15    HA   ASP   2           HA       ASP   2  13.979  -5.141  -5.141
   16   1HB   ASP   2           HB2      ASP   2  14.975  -6.111  -6.111
   17   2HB   ASP   2           HB1      ASP   2  16.392  -6.465  -6.465
   18    HA   PRO   3           HA       PRO   3  16.527  -6.772  -6.772
   19   1HB   PRO   3           HB2      PRO   3  14.638  -6.846  -6.846
   20   2HB   PRO   3           HB1      PRO   3  14.953  -8.203  -8.203
   21   1HG   PRO   3           HG2      PRO   3  12.670  -6.362  -6.362
   22   2HG   PRO   3           HG1      PRO   3  12.796  -7.995  -7.995
   23   1HD   PRO   3           HD2      PRO   3  13.005  -5.482  -5.482
   24   2HD   PRO   3           HD1      PRO   3  12.985  -7.122  -7.122
   25    H    VAL   4           HN       VAL   4  13.917  -4.939  -4.939
   26    HA   VAL   4           HA       VAL   4  15.679  -2.737  -2.737
   27    HB   VAL   4           HB       VAL   4  12.708  -3.389  -3.389
   28   1HG1  VAL   4          HG12      VAL   4  13.375  -0.782  -0.782
   29   2HG1  VAL   4          HG11      VAL   4  13.672  -1.082  -1.082
   30   3HG1  VAL   4          HG13      VAL   4  12.081  -1.400  -1.400
   31   1HG2  VAL   4          HG22      VAL   4  14.857  -3.093  -3.093
   32   2HG2  VAL   4          HG21      VAL   4  14.128  -4.596  -4.596
   33   3HG2  VAL   4          HG23      VAL   4  13.156  -3.425  -3.425
   34    H    ASP   5           HN       ASP   5  12.841  -3.099  -3.099
   35    HA   ASP   5           HA       ASP   5  13.936  -1.450  -1.450
   36   1HB   ASP   5           HB2      ASP   5  12.017  -0.459  -0.459
   37   2HB   ASP   5           HB1      ASP   5  11.495  -0.170  -0.170
   38    HA   PRO   6           HA       PRO   6  10.264  -3.958  -3.958
   39   1HB   PRO   6           HB2      PRO   6   7.901  -3.928  -3.928
   40   2HB   PRO   6           HB1      PRO   6   8.393  -2.604  -2.604
   41   1HG   PRO   6           HG2      PRO   6   8.211  -2.652  -2.652
   42   2HG   PRO   6           HG1      PRO   6   8.360  -1.255  -1.255
   43   1HD   PRO   6           HD2      PRO   6  10.311  -2.691  -2.691
   44   2HD   PRO   6           HD1      PRO   6  10.372  -1.058  -1.058
   45    H    ASN   7           HN       ASN   7   8.592  -5.974  -5.974
   46    HA   ASN   7           HA       ASN   7  10.453  -7.637  -7.637
   47   1HB   ASN   7           HB2      ASN   7   7.618  -7.887  -7.887
   48   2HB   ASN   7           HB1      ASN   7   8.344  -9.154  -9.154
   49   1HD2  ASN   7          HD22      ASN   7   9.689  -8.639  -8.639
   50   2HD2  ASN   7          HD21      ASN   7   8.690  -7.454  -7.454
   51    H    ILE   8           HN       ILE   8   7.183  -6.410  -6.410
   52    HA   ILE   8           HA       ILE   8   8.010  -6.276  -6.276
   53    HB   ILE   8           HB       ILE   8   5.977  -7.349  -7.349
   54   1HG1  ILE   8          HG12      ILE   8   4.518  -6.203  -6.203
   55   2HG1  ILE   8          HG11      ILE   8   4.133  -7.893  -7.893
   56   1HG2  ILE   8          HG21      ILE   8   7.747  -8.664  -8.664
   57   2HG2  ILE   8          HG23      ILE   8   6.127  -9.346  -9.346
   58   3HG2  ILE   8          HG22      ILE   8   6.961  -9.314  -9.314
   59   1HD1  ILE   8          HD11      ILE   8   5.862  -8.230  -8.230
   60   2HD1  ILE   8          HD13      ILE   8   5.381  -6.571  -6.571
   61   3HD1  ILE   8          HD12      ILE   8   4.167  -7.847  -7.847
   62    H    GLU   9           HN       GLU   9   7.395  -4.360  -4.360
   63    HA   GLU   9           HA       GLU   9   6.398  -2.248  -2.248
   64   1HB   GLU   9           HB2      GLU   9   6.412  -2.468  -2.468
   65   2HB   GLU   9           HB1      GLU   9   6.026  -1.025  -1.025
   66   1HG   GLU   9           HG2      GLU   9   8.111  -0.735  -0.735
   67   2HG   GLU   9           HG1      GLU   9   8.616  -2.410  -2.410
   68    HA   PRO  10           HA       PRO  10   2.174  -4.024  -4.024
   69   1HB   PRO  10           HB2      PRO  10   1.637  -5.053  -5.053
   70   2HB   PRO  10           HB1      PRO  10   2.416  -5.950  -5.950
   71   1HG   PRO  10           HG2      PRO  10   3.456  -4.665  -4.665
   72   2HG   PRO  10           HG1      PRO  10   4.093  -6.185  -6.185
   73   1HD   PRO  10           HD2      PRO  10   5.176  -3.581  -3.581
   74   2HD   PRO  10           HD1      PRO  10   5.579  -4.915  -4.915
   75    H    TRP  11           HN       TRP  11   2.935  -1.336  -1.336
   76    HA   TRP  11           HA       TRP  11   1.106  -0.724  -0.724
   77   1HB   TRP  11           HB2      TRP  11   3.242   0.869   0.869
   78   2HB   TRP  11           HB1      TRP  11   2.216   1.509   1.509
   79    HD1  TRP  11           HD1      TRP  11   4.966  -1.085  -1.085
   80    HE1  TRP  11           HE1      TRP  11   5.966  -1.456  -1.456
   81    HE3  TRP  11           HE3      TRP  11   1.754   1.740   1.740
   82    HZ2  TRP  11           HZ2      TRP  11   5.453  -0.647  -0.647
   83    HZ3  TRP  11           HZ3      TRP  11   2.033   1.919   1.919
   84    HH2  TRP  11           HH2      TRP  11   3.867   0.734   0.734
   85    H    ASN  12           HN       ASN  12   0.285  -1.500  -1.500
   86    HA   ASN  12           HA       ASN  12  -1.464   0.850   0.850
   87   1HB   ASN  12           HB2      ASN  12  -0.902   0.489   0.489
   88   2HB   ASN  12           HB1      ASN  12   0.399   1.111   1.111
   89   1HD2  ASN  12          HD22      ASN  12   2.394  -1.838  -1.838
   90   2HD2  ASN  12          HD21      ASN  12   2.006  -0.509  -0.509
   91    H    HIS  13           HN       HIS  13  -3.219   0.185   0.185
   92    HA   HIS  13           HA       HIS  13  -3.957  -2.703  -2.703
   93   1HB   HIS  13           HB2      HIS  13  -5.240  -0.162  -0.162
   94   2HB   HIS  13           HB1      HIS  13  -6.344  -1.446  -1.446
   95    HD1  HIS  13           HD1      HIS  13  -6.657  -0.797  -0.797
   96    HD2  HIS  13           HD2      HIS  13  -3.782  -3.522  -3.522
   97    HE1  HIS  13           HE1      HIS  13  -6.119  -2.278  -2.278
   98    HA   PRO  14           HA       PRO  14  -5.263  -2.434  -2.434
   99   1HB   PRO  14           HB2      PRO  14  -7.300  -4.259  -4.259
  100   2HB   PRO  14           HB1      PRO  14  -5.718  -5.007  -5.007
  101   1HG   PRO  14           HG2      PRO  14  -7.638  -4.505  -4.505
  102   2HG   PRO  14           HG1      PRO  14  -6.289  -5.734  -5.734
  103   1HD   PRO  14           HD2      PRO  14  -6.487  -3.521  -3.521
  104   2HD   PRO  14           HD1      PRO  14  -4.925  -4.409  -4.409
  105    H    GLY  15           HN       GLY  15  -7.524  -2.026  -2.026
  106   1HA   GLY  15           HA2      GLY  15  -9.308  -0.693  -0.693
  107   2HA   GLY  15           HA1      GLY  15  -9.050   0.059   0.059
  108    H    SER  16           HN       SER  16  -9.414  -3.395  -3.395
  109    HA   SER  16           HA       SER  16 -12.238  -3.503  -3.503
  110   1HB   SER  16           HB2      SER  16 -10.808  -3.292  -3.292
  111   2HB   SER  16           HB1      SER  16  -9.965  -4.787  -4.787
  112    HG   SER  16           HG       SER  16 -11.987  -4.763  -4.763
  113    H    GLN  17           HN       GLN  17  -9.903  -4.681  -4.681
  114    HA   GLN  17           HA       GLN  17 -11.468  -7.108  -7.108
  115   1HB   GLN  17           HB2      GLN  17  -9.003  -8.274  -8.274
  116   2HB   GLN  17           HB1      GLN  17 -10.188  -8.172  -8.172
  117   1HG   GLN  17           HG2      GLN  17  -8.874  -5.942  -5.942
  118   2HG   GLN  17           HG1      GLN  17  -7.614  -7.039  -7.039
  119   1HE2  GLN  17          HE22      GLN  17  -9.571  -7.943  -7.943
  120   2HE2  GLN  17          HE21      GLN  17 -10.198  -6.724  -6.724
  121    HA   PRO  18           HA       PRO  18  -8.671  -6.485  -6.485
  122   1HB   PRO  18           HB2      PRO  18  -7.008  -4.317  -4.317
  123   2HB   PRO  18           HB1      PRO  18  -6.486  -5.915  -5.915
  124   1HG   PRO  18           HG2      PRO  18  -7.358  -3.522  -3.522
  125   2HG   PRO  18           HG1      PRO  18  -6.006  -4.651  -4.651
  126   1HD   PRO  18           HD2      PRO  18  -8.268  -4.693  -4.693
  127   2HD   PRO  18           HD1      PRO  18  -7.362  -6.213  -6.213
  128    H    LYS  19           HN       LYS  19  -9.991  -3.822  -3.822
  129    HA   LYS  19           HA       LYS  19 -11.035  -2.517  -2.517
  130   1HB   LYS  19           HB2      LYS  19 -11.203  -1.384  -1.384
  131   2HB   LYS  19           HB1      LYS  19 -11.015  -0.508  -0.508
  132   1HG   LYS  19           HG2      LYS  19  -8.663  -1.361  -1.361
  133   2HG   LYS  19           HG1      LYS  19  -8.937  -2.184  -2.184
  134   1HD   LYS  19           HD2      LYS  19  -7.835  -0.182  -0.182
  135   2HD   LYS  19           HD1      LYS  19  -9.543   0.133   0.133
  136   1HE   LYS  19           HE2      LYS  19  -9.717   1.310   1.310
  137   2HE   LYS  19           HE1      LYS  19  -7.995   1.011   1.011
  138   1HZ   LYS  19           HZ2      LYS  19  -9.097   2.364   2.364
  139   2HZ   LYS  19           HZ1      LYS  19  -8.436   3.179   3.179
  140   3HZ   LYS  19           HZ3      LYS  19  -7.455   2.170   2.170
  141    H    THR  20           HN       THR  20 -11.984  -4.860  -4.860
  142    HA   THR  20           HA       THR  20 -14.844  -4.099  -4.099
  143    HB   THR  20           HB       THR  20 -15.162  -4.058  -4.058
  144    HG1  THR  20           HG1      THR  20 -14.904  -5.946  -5.946
  145   1HG2  THR  20          HG23      THR  20 -13.204  -2.578  -2.578
  146   2HG2  THR  20          HG22      THR  20 -12.134  -3.946  -3.946
  147   3HG2  THR  20          HG21      THR  20 -13.201  -3.370  -3.370
  148    H    ALA  21           HN       ALA  21 -12.586  -6.656  -6.656
  149    HA   ALA  21           HA       ALA  21 -14.405  -8.825  -8.825
  150   1HB   ALA  21           HB3      ALA  21 -12.600  -8.678  -8.678
  151   2HB   ALA  21           HB2      ALA  21 -11.465  -9.066  -9.066
  152   3HB   ALA  21           HB1      ALA  21 -12.763 -10.191 -10.191
  153    H    CYS  22           HN       CYS  22 -11.937  -6.919  -6.919
  154    HA   CYS  22           HA       CYS  22 -12.031  -8.646  -8.646
  155   1HB   CYS  22           HB2      CYS  22  -9.971  -8.936  -8.936
  156   2HB   CYS  22           HB1      CYS  22  -9.719  -7.204  -7.204
  157    HG   CYS  22           HG       CYS  22  -8.555  -8.000  -8.000
  158    H    ASN  23           HN       ASN  23 -13.270  -5.969  -5.969
  159    HA   ASN  23           HA       ASN  23 -12.007  -3.879  -3.879
  160   1HB   ASN  23           HB2      ASN  23 -13.636  -2.531  -2.531
  161   2HB   ASN  23           HB1      ASN  23 -13.508  -3.914  -3.914
  162   1HD2  ASN  23          HD22      ASN  23 -16.667  -5.361  -5.361
  163   2HD2  ASN  23          HD21      ASN  23 -15.086  -5.807  -5.807
  164    H    ARG  24           HN       ARG  24 -12.759  -6.270  -6.270
  165    HA   ARG  24           HA       ARG  24 -15.142  -5.963  -5.963
  166   1HB   ARG  24           HB2      ARG  24 -12.532  -7.264  -7.264
  167   2HB   ARG  24           HB1      ARG  24 -13.236  -7.049  -7.049
  168   1HG   ARG  24           HG2      ARG  24 -13.941  -9.202  -9.202
  169   2HG   ARG  24           HG1      ARG  24 -15.345  -8.135  -8.135
  170   1HD   ARG  24           HD2      ARG  24 -15.237  -9.149  -9.149
  171   2HD   ARG  24           HD1      ARG  24 -14.558  -7.487  -7.487
  172    HE   ARG  24           HE       ARG  24 -12.408  -8.306  -8.306
  173   1HH1  ARG  24          HH21      ARG  24 -12.065 -10.220 -10.220
  174   2HH1  ARG  24          HH22      ARG  24 -12.052 -11.756 -11.756
  175   1HH2  ARG  24          HH11      ARG  24 -13.487 -10.539 -10.539
  176   2HH2  ARG  24          HH12      ARG  24 -12.860 -11.936 -11.936
  177    H    CYS  25           HN       CYS  25 -11.873  -4.708  -4.708
  178    HA   CYS  25           HA       CYS  25 -11.238  -2.644  -2.644
  179   1HB   CYS  25           HB2      CYS  25 -12.815  -1.105  -1.105
  180   2HB   CYS  25           HB1      CYS  25 -13.891  -2.146  -2.146
  181    HG   CYS  25           HG       CYS  25 -15.143  -1.974  -1.974
  182    H    HIS  26           HN       HIS  26 -11.261  -5.428  -5.428
  183    HA   HIS  26           HA       HIS  26 -10.329  -4.801  -4.801
  184   1HB   HIS  26           HB2      HIS  26 -11.962  -6.619  -6.619
  185   2HB   HIS  26           HB1      HIS  26 -12.593  -4.985  -4.985
  186    HD1  HIS  26           HD1      HIS  26 -12.935  -8.522  -8.522
  187    HD2  HIS  26           HD2      HIS  26 -14.232  -4.760  -4.760
  188    HE1  HIS  26           HE1      HIS  26 -14.782  -8.911  -8.911
  189    H    CYS  27           HN       CYS  27 -11.391  -7.459  -7.459
  190    HA   CYS  27           HA       CYS  27  -9.200  -9.205  -9.205
  191   1HB   CYS  27           HB2      CYS  27 -11.612  -9.376  -9.376
  192   2HB   CYS  27           HB1      CYS  27 -10.314 -10.527 -10.527
  193    HG   CYS  27           HG       CYS  27 -11.750 -11.643 -11.643
  194    H    LYS  28           HN       LYS  28  -9.848  -6.861  -6.861
  195    HA   LYS  28           HA       LYS  28  -8.075  -7.682  -7.682
  196   1HB   LYS  28           HB2      LYS  28  -9.670  -5.969  -5.969
  197   2HB   LYS  28           HB1      LYS  28  -9.269  -5.243  -5.243
  198   1HG   LYS  28           HG2      LYS  28  -7.138  -4.399  -4.399
  199   2HG   LYS  28           HG1      LYS  28  -7.432  -5.328  -5.328
  200   1HD   LYS  28           HD2      LYS  28  -7.989  -3.018  -3.018
  201   2HD   LYS  28           HD1      LYS  28  -9.495  -3.933  -3.933
  202   1HE   LYS  28           HE2      LYS  28  -9.523  -3.247  -3.247
  203   2HE   LYS  28           HE1      LYS  28  -8.365  -1.999  -1.999
  204   1HZ   LYS  28           HZ2      LYS  28  -9.945  -1.454  -1.454
  205   2HZ   LYS  28           HZ1      LYS  28 -11.063  -2.541  -2.541
  206   3HZ   LYS  28           HZ3      LYS  28 -10.587  -1.165  -1.165
  207    H    LYS  29           HN       LYS  29  -7.540  -5.012  -5.012
  208    HA   LYS  29           HA       LYS  29  -4.635  -5.182  -5.182
  209   1HB   LYS  29           HB2      LYS  29  -4.688  -3.283  -3.283
  210   2HB   LYS  29           HB1      LYS  29  -5.816  -3.034  -3.034
  211   1HG   LYS  29           HG2      LYS  29  -7.101  -4.450  -4.450
  212   2HG   LYS  29           HG1      LYS  29  -6.348  -2.944  -2.944
  213   1HD   LYS  29           HD2      LYS  29  -7.565  -2.023  -2.023
  214   2HD   LYS  29           HD1      LYS  29  -8.539  -3.491  -3.491
  215   1HE   LYS  29           HE2      LYS  29  -9.430  -2.800  -2.800
  216   2HE   LYS  29           HE1      LYS  29  -8.087  -1.686  -1.686
  217   1HZ   LYS  29           HZ1      LYS  29  -9.888  -1.357  -1.357
  218   2HZ   LYS  29           HZ3      LYS  29 -10.223  -0.640  -0.640
  219   3HZ   LYS  29           HZ2      LYS  29  -8.808  -0.222  -0.222
  220    H    CYS  30           HN       CYS  30  -7.058  -6.257  -6.257
  221    HA   CYS  30           HA       CYS  30  -6.892  -7.843  -7.843
  222   1HB   CYS  30           HB2      CYS  30  -5.274  -8.617  -8.617
  223   2HB   CYS  30           HB1      CYS  30  -3.953  -8.182  -8.182
  224    HG   CYS  30           HG       CYS  30  -4.489 -10.531 -10.531
  225    H    CYS  31           HN       CYS  31  -6.253  -4.936  -4.936
  226    HA   CYS  31           HA       CYS  31  -5.486  -3.443  -3.443
  227   1HB   CYS  31           HB2      CYS  31  -6.076  -6.016  -6.016
  228   2HB   CYS  31           HB1      CYS  31  -5.735  -4.496  -4.496
  229    HG   CYS  31           HG       CYS  31  -8.245  -5.042  -5.042
  230    H    TYR  32           HN       TYR  32  -3.260  -3.219  -3.219
  231    HA   TYR  32           HA       TYR  32  -1.292  -4.032  -4.032
  232   1HB   TYR  32           HB2      TYR  32   0.173  -5.212  -5.212
  233   2HB   TYR  32           HB1      TYR  32  -1.378  -6.034  -6.034
  234    HD1  TYR  32           HD1      TYR  32  -3.043  -4.456  -4.456
  235    HD2  TYR  32           HD2      TYR  32   1.147  -5.360  -5.360
  236    HE1  TYR  32           HE1      TYR  32  -3.108  -4.159  -4.159
  237    HE2  TYR  32           HE2      TYR  32   1.087  -5.053  -5.053
  238    HH   TYR  32           HH       TYR  32  -1.098  -5.283  -5.283
  239    H    HIS  33           HN       HIS  33  -2.347  -1.545  -1.545
  240    HA   HIS  33           HA       HIS  33  -1.646   0.640   0.640
  241   1HB   HIS  33           HB2      HIS  33   1.077  -0.777  -0.777
  242   2HB   HIS  33           HB1      HIS  33   0.814   0.968   0.968
  243    HD1  HIS  33           HD1      HIS  33   0.025   2.177   2.177
  244    HD2  HIS  33           HD2      HIS  33   0.362  -1.947  -1.947
  245    HE1  HIS  33           HE1      HIS  33  -0.178   1.740   1.740
  246    H    CYS  34           HN       CYS  34  -1.885  -1.700  -1.700
  247    HA   CYS  34           HA       CYS  34  -1.830  -1.802  -1.802
  248   1HB   CYS  34           HB2      CYS  34  -2.240   1.008   1.008
  249   2HB   CYS  34           HB1      CYS  34  -1.757   0.808   0.808
  250    HG   CYS  34           HG       CYS  34  -4.478   0.503   0.503
  251    H    GLN  35           HN       GLN  35   0.541  -2.566  -2.566
  252    HA   GLN  35           HA       GLN  35   2.723  -0.801  -0.801
  253   1HB   GLN  35           HB2      GLN  35   2.674  -3.698  -3.698
  254   2HB   GLN  35           HB1      GLN  35   4.106  -2.653  -2.653
  255   1HG   GLN  35           HG2      GLN  35   1.899  -2.268  -2.268
  256   2HG   GLN  35           HG1      GLN  35   3.546  -2.694  -2.694
  257   1HE2  GLN  35          HE22      GLN  35   2.512   1.165   1.165
  258   2HE2  GLN  35          HE21      GLN  35   1.385  -0.112  -0.112
  259    H    VAL  36           HN       VAL  36   0.741  -3.334  -3.334
  260    HA   VAL  36           HA       VAL  36   0.738  -4.288  -4.288
  261    HB   VAL  36           HB       VAL  36   2.601  -1.921  -1.921
  262   1HG1  VAL  36          HG13      VAL  36   1.512  -3.643  -3.643
  263   2HG1  VAL  36          HG12      VAL  36   2.040  -1.975  -1.975
  264   3HG1  VAL  36          HG11      VAL  36   3.187  -3.197  -3.197
  265   1HG2  VAL  36          HG21      VAL  36  -0.334  -2.351  -2.351
  266   2HG2  VAL  36          HG23      VAL  36   0.429  -1.172  -1.172
  267   3HG2  VAL  36          HG22      VAL  36   0.578  -1.004  -1.004
  268    H    CYS  37           HN       CYS  37   2.375  -5.322  -5.322
  269    HA   CYS  37           HA       CYS  37   4.380  -6.798  -6.798
  270   1HB   CYS  37           HB2      CYS  37   3.201  -6.916  -6.916
  271   2HB   CYS  37           HB1      CYS  37   4.637  -7.857  -7.857
  272    HG   CYS  37           HG       CYS  37   3.073  -9.486  -9.486
  273    H    PHE  38           HN       PHE  38   5.647  -4.699  -4.699
  274    HA   PHE  38           HA       PHE  38   7.050  -3.630  -3.630
  275   1HB   PHE  38           HB2      PHE  38   7.940  -1.971  -1.971
  276   2HB   PHE  38           HB1      PHE  38   6.154  -2.244  -2.244
  277    HD1  PHE  38           HD1      PHE  38   5.148  -3.388  -3.388
  278    HD2  PHE  38           HD2      PHE  38   9.354  -2.574  -2.574
  279    HE1  PHE  38           HE1      PHE  38   5.300  -3.794  -3.794
  280    HE2  PHE  38           HE2      PHE  38   9.506  -2.992  -2.992
  281    HZ   PHE  38           HZ       PHE  38   7.473  -3.594  -3.594
  282    H    ILE  39           HN       ILE  39   9.526  -3.102  -3.102
  283    HA   ILE  39           HA       ILE  39  11.181  -5.113  -5.113
  284    HB   ILE  39           HB       ILE  39  12.923  -4.082  -4.082
  285   1HG1  ILE  39          HG12      ILE  39  11.386  -2.304  -2.304
  286   2HG1  ILE  39          HG11      ILE  39  10.937  -3.900  -3.900
  287   1HG2  ILE  39          HG21      ILE  39  11.213  -2.672  -2.672
  288   2HG2  ILE  39          HG23      ILE  39  11.220  -1.690  -1.690
  289   3HG2  ILE  39          HG22      ILE  39  12.735  -2.046  -2.046
  290   1HD1  ILE  39          HD12      ILE  39  13.610  -4.295  -4.295
  291   2HD1  ILE  39          HD11      ILE  39  13.606  -2.566  -2.566
  292   3HD1  ILE  39          HD13      ILE  39  12.844  -3.699  -3.699
  293    H    THR  40           HN       THR  40   9.523  -5.140  -5.140
  294    HA   THR  40           HA       THR  40  10.876  -7.751  -7.751
  295    HB   THR  40           HB       THR  40   9.423  -5.837  -5.837
  296    HG1  THR  40           HG1      THR  40  11.239  -4.801  -4.801
  297   1HG2  THR  40          HG22      THR  40   9.666  -8.243  -8.243
  298   2HG2  THR  40          HG21      THR  40  11.413  -8.030  -8.030
  299   3HG2  THR  40          HG23      THR  40  10.464  -7.083  -7.083
  300    H    LYS  41           HN       LYS  41   9.580  -9.558  -9.558
  301    HA   LYS  41           HA       LYS  41   6.808  -9.357  -9.357
  302   1HB   LYS  41           HB2      LYS  41   8.631 -11.621 -11.621
  303   2HB   LYS  41           HB1      LYS  41   6.979 -11.875 -11.875
  304   1HG   LYS  41           HG2      LYS  41   8.815 -10.141 -10.141
  305   2HG   LYS  41           HG1      LYS  41   9.087 -11.871 -11.871
  306   1HD   LYS  41           HD2      LYS  41   7.545 -11.111 -11.111
  307   2HD   LYS  41           HD1      LYS  41   6.866 -12.342 -12.342
  308   1HE   LYS  41           HE2      LYS  41   5.171 -10.649 -10.649
  309   2HE   LYS  41           HE1      LYS  41   5.704 -10.437 -10.437
  310   1HZ   LYS  41           HZ3      LYS  41   7.436  -8.859  -8.859
  311   2HZ   LYS  41           HZ2      LYS  41   6.499  -8.911  -8.911
  312   3HZ   LYS  41           HZ1      LYS  41   5.834  -8.312  -8.312
  313    H    GLY  42           HN       GLY  42   7.925  -8.733  -8.733
  314   1HA   GLY  42           HA2      GLY  42   5.851 -10.296 -10.296
  315   2HA   GLY  42           HA1      GLY  42   7.042  -9.328  -9.328
  316    H    LEU  43           HN       LEU  43   5.544  -7.762  -7.762
  317    HA   LEU  43           HA       LEU  43   3.785  -6.234  -6.234
  318   1HB   LEU  43           HB2      LEU  43   2.915  -8.407  -8.407
  319   2HB   LEU  43           HB1      LEU  43   2.047  -6.899  -6.899
  320    HG   LEU  43           HG       LEU  43   1.421  -6.823  -6.823
  321   1HD1  LEU  43          HD11      LEU  43   3.224  -9.126  -9.126
  322   2HD1  LEU  43          HD13      LEU  43   2.088  -8.391  -8.391
  323   3HD1  LEU  43          HD12      LEU  43   3.447  -7.454  -7.454
  324   1HD2  LEU  43          HD21      LEU  43   1.422  -9.723  -9.723
  325   2HD2  LEU  43          HD23      LEU  43   0.196  -8.523  -8.523
  326   3HD2  LEU  43          HD22      LEU  43   0.311  -9.130  -9.130
  327    H    GLY  44           HN       GLY  44   6.001  -5.383  -5.383
  328   1HA   GLY  44           HA2      GLY  44   6.659  -3.927  -3.927
  329   2HA   GLY  44           HA1      GLY  44   5.295  -2.953  -2.953
  330    H    ILE  45           HN       ILE  45   5.071  -6.144  -6.144
  331    HA   ILE  45           HA       ILE  45   3.203  -5.126  -5.126
  332    HB   ILE  45           HB       ILE  45   3.404  -7.451  -7.451
  333   1HG1  ILE  45          HG12      ILE  45   4.732  -8.914  -8.914
  334   2HG1  ILE  45          HG11      ILE  45   5.696  -7.435  -7.435
  335   1HG2  ILE  45          HG23      ILE  45   2.908  -6.936  -6.936
  336   2HG2  ILE  45          HG22      ILE  45   2.684  -8.543  -8.543
  337   3HG2  ILE  45          HG21      ILE  45   1.736  -7.185  -7.185
  338   1HD1  ILE  45          HD11      ILE  45   5.242  -7.933  -7.933
  339   2HD1  ILE  45          HD13      ILE  45   5.471  -9.546  -9.546
  340   3HD1  ILE  45          HD12      ILE  45   6.730  -8.327  -8.327
  341    H    SER  46           HN       SER  46   6.757  -5.604  -5.604
  342    HA   SER  46           HA       SER  46   6.827  -4.080  -4.080
  343   1HB   SER  46           HB2      SER  46   6.008  -6.549  -6.549
  344   2HB   SER  46           HB1      SER  46   7.713  -6.923  -6.923
  345    HG   SER  46           HG       SER  46   8.024  -6.094  -6.094
  346    H    TYR  47           HN       TYR  47   8.654  -5.376  -5.376
  347    HA   TYR  47           HA       TYR  47  11.207  -5.246  -5.246
  348   1HB   TYR  47           HB2      TYR  47  12.116  -5.662  -5.662
  349   2HB   TYR  47           HB1      TYR  47  11.161  -6.844  -6.844
  350    HD1  TYR  47           HD1      TYR  47  10.792  -4.024  -4.024
  351    HD2  TYR  47           HD2      TYR  47   9.248  -7.721  -7.721
  352    HE1  TYR  47           HE1      TYR  47   9.151  -4.112  -4.112
  353    HE2  TYR  47           HE2      TYR  47   7.600  -7.799  -7.799
  354    HH   TYR  47           HH       TYR  47   7.642  -6.731  -6.731
  355    H    GLY  48           HN       GLY  48  12.341  -3.902  -3.902
  356   1HA   GLY  48           HA2      GLY  48  12.979  -1.416  -1.416
  357   2HA   GLY  48           HA1      GLY  48  13.115  -1.788  -1.788
  358    H    ARG  49           HN       ARG  49  10.583  -1.996  -1.996
  359    HA   ARG  49           HA       ARG  49   8.745  -0.663  -0.663
  360   1HB   ARG  49           HB2      ARG  49   9.080   0.019   0.019
  361   2HB   ARG  49           HB1      ARG  49   7.635   0.528   0.528
  362   1HG   ARG  49           HG2      ARG  49   7.650  -2.128  -2.128
  363   2HG   ARG  49           HG1      ARG  49   8.549  -2.163  -2.163
  364   1HD   ARG  49           HD2      ARG  49   6.186  -2.398  -2.398
  365   2HD   ARG  49           HD1      ARG  49   6.695  -0.793  -0.793
  366    HE   ARG  49           HE       ARG  49   5.799  -0.853  -0.853
  367   1HH1  ARG  49          HH11      ARG  49   3.816  -1.640  -1.640
  368   2HH1  ARG  49          HH12      ARG  49   2.905  -0.168  -0.168
  369   1HH2  ARG  49          HH21      ARG  49   5.094   1.580   1.580
  370   2HH2  ARG  49          HH22      ARG  49   3.627   1.656   1.656
  371    H    LYS  50           HN       LYS  50  10.992   0.426   0.426
  372    HA   LYS  50           HA       LYS  50  11.662   3.068   3.068
  373   1HB   LYS  50           HB2      LYS  50  12.854   3.143   3.143
  374   2HB   LYS  50           HB1      LYS  50  13.256   1.768   1.768
  375   1HG   LYS  50           HG2      LYS  50  11.019   0.936   0.936
  376   2HG   LYS  50           HG1      LYS  50  12.076   1.864   1.864
  377   1HD   LYS  50           HD2      LYS  50  12.967  -0.316  -0.316
  378   2HD   LYS  50           HD1      LYS  50  13.984   0.487   0.487
  379   1HE   LYS  50           HE2      LYS  50  13.401  -1.745  -1.745
  380   2HE   LYS  50           HE1      LYS  50  12.624  -0.565  -0.565
  381   1HZ   LYS  50           HZ1      LYS  50  11.074  -1.143  -1.143
  382   2HZ   LYS  50           HZ3      LYS  50  11.411  -2.563  -2.563
  383   3HZ   LYS  50           HZ2      LYS  50  10.606  -1.283  -1.283
  384    H    LYS  51           HN       LYS  51   9.274   1.887   1.887
  385    HA   LYS  51           HA       LYS  51   7.420   3.010   3.010
  386   1HB   LYS  51           HB2      LYS  51   8.484   5.562   5.562
  387   2HB   LYS  51           HB1      LYS  51   6.904   5.201   5.201
  388   1HG   LYS  51           HG2      LYS  51   7.648   3.093   3.093
  389   2HG   LYS  51           HG1      LYS  51   7.895   4.641   4.641
  390   1HD   LYS  51           HD2      LYS  51   5.630   4.231   4.231
  391   2HD   LYS  51           HD1      LYS  51   5.492   5.160   5.160
  392   1HE   LYS  51           HE2      LYS  51   5.599   2.900   2.900
  393   2HE   LYS  51           HE1      LYS  51   5.337   2.151   2.151
  394   1HZ   LYS  51           HZ1      LYS  51   3.646   4.331   4.331
  395   2HZ   LYS  51           HZ3      LYS  51   3.223   2.690   2.690
  396   3HZ   LYS  51           HZ2      LYS  51   3.345   3.480   3.480
  397    H    ARG  52           HN       ARG  52  10.534   4.788   4.788
  398    HA   ARG  52           HA       ARG  52   9.775   5.949   5.949
  399   1HB   ARG  52           HB2      ARG  52  12.521   5.865   5.865
  400   2HB   ARG  52           HB1      ARG  52  11.863   7.083   7.083
  401   1HG   ARG  52           HG2      ARG  52  11.305   6.600   6.600
  402   2HG   ARG  52           HG1      ARG  52  11.785   8.111   8.111
  403   1HD   ARG  52           HD2      ARG  52   9.011   6.787   6.787
  404   2HD   ARG  52           HD1      ARG  52   9.453   8.324   8.324
  405    HE   ARG  52           HE       ARG  52   9.111   7.831   7.831
  406   1HH1  ARG  52          HH21      ARG  52  11.466   8.966   8.966
  407   2HH1  ARG  52          HH22      ARG  52  11.365  10.662  10.662
  408   1HH2  ARG  52          HH11      ARG  52   8.626  10.354  10.354
  409   2HH2  ARG  52          HH12      ARG  52   9.754  11.450  11.450
  410    H    ARG  53           HN       ARG  53  10.561   2.869   2.869
  411    HA   ARG  53           HA       ARG  53  12.670   2.076   2.076
  412   1HB   ARG  53           HB2      ARG  53  11.737  -0.104  -0.104
  413   2HB   ARG  53           HB1      ARG  53  11.618   0.725   0.725
  414   1HG   ARG  53           HG2      ARG  53   9.195   1.039   1.039
  415   2HG   ARG  53           HG1      ARG  53   9.490  -0.574  -0.574
  416   1HD   ARG  53           HD2      ARG  53   9.790   0.719   0.719
  417   2HD   ARG  53           HD1      ARG  53   8.921   2.011   2.011
  418    HE   ARG  53           HE       ARG  53   7.481  -0.281  -0.281
  419   1HH1  ARG  53          HH11      ARG  53   8.529  -0.575  -0.575
  420   2HH1  ARG  53          HH12      ARG  53   7.102  -0.068  -0.068
  421   1HH2  ARG  53          HH21      ARG  53   5.610   1.306   1.306
  422   2HH2  ARG  53          HH22      ARG  53   5.444   0.991   0.991
  423    H    GLN  54           HN       GLN  54   9.441   3.128   3.128
  424    HA   GLN  54           HA       GLN  54   9.143   1.724   1.724
  425   1HB   GLN  54           HB2      GLN  54   7.822   4.356   4.356
  426   2HB   GLN  54           HB1      GLN  54   7.256   3.084   3.084
  427   1HG   GLN  54           HG2      GLN  54   6.799   1.520   1.520
  428   2HG   GLN  54           HG1      GLN  54   7.673   2.395   2.395
  429   1HE2  GLN  54          HE22      GLN  54   4.835   4.101   4.101
  430   2HE2  GLN  54          HE21      GLN  54   6.353   3.426   3.426
  431    H    ARG  55           HN       ARG  55  10.511   4.836   4.836
  432    HA   ARG  55           HA       ARG  55  11.858   6.386   6.386
  433   1HB   ARG  55           HB2      ARG  55  12.102   3.950   3.950
  434   2HB   ARG  55           HB1      ARG  55  12.918   5.467   5.467
  435   1HG   ARG  55           HG2      ARG  55  13.682   5.209   5.209
  436   2HG   ARG  55           HG1      ARG  55  13.254   3.522   3.522
  437   1HD   ARG  55           HD2      ARG  55  14.714   3.802   3.802
  438   2HD   ARG  55           HD1      ARG  55  15.418   5.167   5.167
  439    HE   ARG  55           HE       ARG  55  15.215   2.866   2.866
  440   1HH1  ARG  55          HH11      ARG  55  16.434   1.794   1.794
  441   2HH1  ARG  55          HH12      ARG  55  18.125   1.982   1.982
  442   1HH2  ARG  55          HH21      ARG  55  17.639   4.144   4.144
  443   2HH2  ARG  55          HH22      ARG  55  18.809   3.316   3.316
  444    H    ARG  56           HN       ARG  56   8.814   5.661   5.661
  445    HA   ARG  56           HA       ARG  56   8.781   7.652   7.652
  446   1HB   ARG  56           HB2      ARG  56   7.157   5.106   5.106
  447   2HB   ARG  56           HB1      ARG  56   7.034   6.262   6.262
  448   1HG   ARG  56           HG2      ARG  56   8.925   5.566   5.566
  449   2HG   ARG  56           HG1      ARG  56   9.774   5.265   5.265
  450   1HD   ARG  56           HD2      ARG  56   8.467   3.259   3.259
  451   2HD   ARG  56           HD1      ARG  56   7.554   3.556   3.556
  452    HE   ARG  56           HE       ARG  56   9.731   3.351   3.351
  453   1HH1  ARG  56          HH11      ARG  56   9.026   1.227   1.227
  454   2HH1  ARG  56          HH12      ARG  56  10.625   0.580   0.580
  455   1HH2  ARG  56          HH21      ARG  56  12.052   2.904   2.904
  456   2HH2  ARG  56          HH22      ARG  56  12.341   1.529   1.529
  457    H    ARG  57           HN       ARG  57   8.347   8.073   8.073
  458    HA   ARG  57           HA       ARG  57   5.667   7.989   7.989
  459   1HB   ARG  57           HB2      ARG  57   7.877   8.604   8.604
  460   2HB   ARG  57           HB1      ARG  57   7.594  10.252  10.252
  461   1HG   ARG  57           HG2      ARG  57   6.701   9.958   9.958
  462   2HG   ARG  57           HG1      ARG  57   5.356  10.178  10.178
  463   1HD   ARG  57           HD2      ARG  57   5.287   7.578   7.578
  464   2HD   ARG  57           HD1      ARG  57   6.350   7.622   7.622
  465    HE   ARG  57           HE       ARG  57   3.899   9.313   9.313
  466   1HH1  ARG  57          HH21      ARG  57   4.477   9.058   9.058
  467   2HH1  ARG  57          HH22      ARG  57   3.872   7.536   7.536
  468   1HH2  ARG  57          HH11      ARG  57   3.560   6.186   6.186
  469   2HH2  ARG  57          HH12      ARG  57   3.351   5.905   5.905
  470    HA   PRO  58           HA       PRO  58   5.022  12.272  12.272
  471   1HB   PRO  58           HB2      PRO  58   6.750  13.073  13.073
  472   2HB   PRO  58           HB1      PRO  58   6.994  13.430  13.430
  473   1HG   PRO  58           HG2      PRO  58   8.305  11.411  11.411
  474   2HG   PRO  58           HG1      PRO  58   8.948  12.312  12.312
  475   1HD   PRO  58           HD2      PRO  58   8.057   9.722   9.722
  476   2HD   PRO  58           HD1      PRO  58   8.421  10.553  10.553
  477    H    SER  59           HN       SER  59   6.163   9.557   9.557
  478    HA   SER  59           HA       SER  59   4.614  10.282  10.282
  479   1HB   SER  59           HB2      SER  59   6.743   8.935   8.935
  480   2HB   SER  59           HB1      SER  59   5.848   7.640   7.640
  481    HG   SER  59           HG       SER  59   5.182   7.077   7.077
  482    H    GLN  60           HN       GLN  60   2.397  10.160  10.160
  483    HA   GLN  60           HA       GLN  60   1.146   7.750   7.750
  484   1HB   GLN  60           HB2      GLN  60   0.366  10.631  10.631
  485   2HB   GLN  60           HB1      GLN  60  -0.478   9.214   9.214
  486   1HG   GLN  60           HG2      GLN  60   1.272   8.416   8.416
  487   2HG   GLN  60           HG1      GLN  60   2.433   9.576   9.576
  488   1HE2  GLN  60          HE22      GLN  60   0.559  12.373  12.373
  489   2HE2  GLN  60          HE21      GLN  60   0.689  11.943  11.943
  490    H    GLY  61           HN       GLY  61   1.577   8.887   8.887
  491   1HA   GLY  61           HA2      GLY  61  -1.062   9.674   9.674
  492   2HA   GLY  61           HA1      GLY  61   0.317   9.254   9.254
  493    H    GLY  62           HN       GLY  62  -2.435   7.977   7.977
  494   1HA   GLY  62           HA2      GLY  62  -3.656   6.002   6.002
  495   2HA   GLY  62           HA1      GLY  62  -2.638   5.657   5.657
  496    H    GLN  63           HN       GLN  63  -1.118   6.371   6.371
  497    HA   GLN  63           HA       GLN  63   0.174   3.778   3.778
  498   1HB   GLN  63           HB2      GLN  63   0.104   6.292   6.292
  499   2HB   GLN  63           HB1      GLN  63   0.936   4.875   4.875
  500   1HG   GLN  63           HG2      GLN  63   1.229   6.235   6.235
  501   2HG   GLN  63           HG1      GLN  63   2.467   6.400   6.400
  502   1HE2  GLN  63          HE22      GLN  63   3.069   2.635   2.635
  503   2HE2  GLN  63          HE21      GLN  63   2.345   3.500   3.500
  504    H    THR  64           HN       THR  64  -2.720   5.085   5.085
  505    HA   THR  64           HA       THR  64  -4.063   4.271   4.271
  506    HB   THR  64           HB       THR  64  -3.062   1.702   1.702
  507    HG1  THR  64           HG1      THR  64  -5.236   3.374   3.374
  508   1HG2  THR  64          HG22      THR  64  -5.083   2.360   2.360
  509   2HG2  THR  64          HG21      THR  64  -5.731   1.418   1.418
  510   3HG2  THR  64          HG23      THR  64  -4.372   0.798   0.798
  511    H    HIS  65           HN       HIS  65  -1.624   5.031   5.031
  512    HA   HIS  65           HA       HIS  65  -0.090   2.980   2.980
  513   1HB   HIS  65           HB2      HIS  65  -0.274   5.971   5.971
  514   2HB   HIS  65           HB1      HIS  65   0.538   5.022   5.022
  515    HD1  HIS  65           HD1      HIS  65   2.018   6.806   6.806
  516    HD2  HIS  65           HD2      HIS  65   1.612   2.660   2.660
  517    HE1  HIS  65           HE1      HIS  65   3.793   5.870   5.870
  518    H    GLN  66           HN       GLN  66  -3.157   4.156   4.156
  519    HA   GLN  66           HA       GLN  66  -4.478   3.712   3.712
  520   1HB   GLN  66           HB2      GLN  66  -2.085   2.076   2.076
  521   2HB   GLN  66           HB1      GLN  66  -3.733   1.819   1.819
  522   1HG   GLN  66           HG2      GLN  66  -4.231   0.619   0.619
  523   2HG   GLN  66           HG1      GLN  66  -3.544   1.806   1.806
  524   1HE2  GLN  66          HE22      GLN  66  -0.338   0.171   0.171
  525   2HE2  GLN  66          HE21      GLN  66  -1.202   1.578   1.578
  526    H    ASP  67           HN       ASP  67  -1.201   3.704   3.704
  527    HA   ASP  67           HA       ASP  67  -2.133   5.147   5.147
  528   1HB   ASP  67           HB2      ASP  67  -0.436   3.535   3.535
  529   2HB   ASP  67           HB1      ASP  67   0.568   4.301   4.301
  530    HA   PRO  68           HA       PRO  68   0.254   8.858   8.858
  531   1HB   PRO  68           HB2      PRO  68   1.229   8.796   8.796
  532   2HB   PRO  68           HB1      PRO  68   2.131   8.223   8.223
  533   1HG   PRO  68           HG2      PRO  68   0.553   6.772   6.772
  534   2HG   PRO  68           HG1      PRO  68   2.080   6.169   6.169
  535   1HD   PRO  68           HD2      PRO  68  -0.353   5.283   5.283
  536   2HD   PRO  68           HD1      PRO  68   1.086   5.257   5.257
  537    H    ILE  69           HN       ILE  69  -1.831   7.091   7.091
  538    HA   ILE  69           HA       ILE  69  -3.154   9.711   9.711
  539    HB   ILE  69           HB       ILE  69  -3.325   9.061   9.061
  540   1HG1  ILE  69          HG12      ILE  69  -2.246   6.437   6.437
  541   2HG1  ILE  69          HG11      ILE  69  -3.745   6.441   6.441
  542   1HG2  ILE  69          HG21      ILE  69  -0.973   9.518   9.518
  543   2HG2  ILE  69          HG23      ILE  69  -0.731   7.773   7.773
  544   3HG2  ILE  69          HG22      ILE  69  -1.086   8.547   8.547
  545   1HD1  ILE  69          HD12      ILE  69  -4.825   7.758   7.758
  546   2HD1  ILE  69          HD11      ILE  69  -3.482   7.229   7.229
  547   3HD1  ILE  69          HD13      ILE  69  -4.553   6.037   6.037
  548    HA   PRO  70           HA       PRO  70  -6.115   6.343   6.343
  549   1HB   PRO  70           HB2      PRO  70  -6.601   7.632   7.632
  550   2HB   PRO  70           HB1      PRO  70  -5.440   6.273   6.273
  551   1HG   PRO  70           HG2      PRO  70  -5.150   9.257   9.257
  552   2HG   PRO  70           HG1      PRO  70  -4.099   8.040   8.040
  553   1HD   PRO  70           HD2      PRO  70  -3.397   9.327   9.327
  554   2HD   PRO  70           HD1      PRO  70  -3.027   7.567   7.567
  555    H    LYS  71           HN       LYS  71  -6.034   9.580   9.580
  556    HA   LYS  71           HA       LYS  71  -8.686  10.408  10.408
  557   1HB   LYS  71           HB2      LYS  71  -8.177  12.277  12.277
  558   2HB   LYS  71           HB1      LYS  71  -6.948  12.055  12.055
  559   1HG   LYS  71           HG2      LYS  71  -6.224  10.392  10.392
  560   2HG   LYS  71           HG1      LYS  71  -6.749  11.963  11.963
  561   1HD   LYS  71           HD2      LYS  71  -4.389  11.665  11.665
  562   2HD   LYS  71           HD1      LYS  71  -5.079  13.131  13.131
  563   1HE   LYS  71           HE2      LYS  71  -5.227  11.870  11.870
  564   2HE   LYS  71           HE1      LYS  71  -4.435  10.505  10.505
  565   1HZ   LYS  71           HZ3      LYS  71  -3.372  13.284  13.284
  566   2HZ   LYS  71           HZ2      LYS  71  -2.851  11.985  11.985
  567   3HZ   LYS  71           HZ1      LYS  71  -2.587  11.960  11.960
  568    H    GLN  72           HN       GLN  72  -7.327   8.850   8.850
  569    HA   GLN  72           HA       GLN  72  -9.990   8.063   8.063
  570   1HB   GLN  72           HB2      GLN  72  -9.388   9.522   9.522
  571   2HB   GLN  72           HB1      GLN  72 -10.393  10.124  10.124
  572   1HG   GLN  72           HG2      GLN  72  -8.880  11.801  11.801
  573   2HG   GLN  72           HG1      GLN  72  -8.183  11.105  11.105
  574   1HE2  GLN  72          HE22      GLN  72  -5.310   9.949   9.949
  575   2HE2  GLN  72          HE21      GLN  72  -6.126   9.648   9.648
  576    HA   PRO  73           HA       PRO  73  -7.717   5.209   5.209
  577   1HB   PRO  73           HB2      PRO  73  -8.889   5.351   5.351
  578   2HB   PRO  73           HB1      PRO  73  -9.679   4.553   4.553
  579   1HG   PRO  73           HG2      PRO  73 -10.020   7.358   7.358
  580   2HG   PRO  73           HG1      PRO  73 -11.300   6.172   6.172
  581   1HD   PRO  73           HD2      PRO  73 -10.635   8.112   8.112
  582   2HD   PRO  73           HD1      PRO  73 -10.916   6.473   6.473
  583    H    SER  74           HN       SER  74  -8.412   8.276   8.276
  584    HA   SER  74           HA       SER  74  -7.011   9.786   9.786
  585   1HB   SER  74           HB2      SER  74  -5.841   8.913   8.913
  586   2HB   SER  74           HB1      SER  74  -4.546   8.361   8.361
  587    HG   SER  74           HG       SER  74  -3.929  10.361  10.361
  588    H    SER  75           HN       SER  75  -6.843   9.671   9.671
  589    HA   SER  75           HA       SER  75  -5.977   9.060   9.060
  590   1HB   SER  75           HB2      SER  75  -4.113   8.326   8.326
  591   2HB   SER  75           HB1      SER  75  -4.519   6.749   6.749
  592    HG   SER  75           HG       SER  75  -3.551   7.294   7.294
  593    H    GLN  76           HN       GLN  76  -7.396   6.642   6.642
  594    HA   GLN  76           HA       GLN  76  -7.914   4.676   4.676
  595   1HB   GLN  76           HB2      GLN  76  -8.695   5.160   5.160
  596   2HB   GLN  76           HB1      GLN  76  -9.610   3.994   3.994
  597   1HG   GLN  76           HG2      GLN  76  -8.005   2.510   2.510
  598   2HG   GLN  76           HG1      GLN  76  -7.021   3.328   3.328
  599   1HE2  GLN  76          HE22      GLN  76  -4.833   4.778   4.778
  600   2HE2  GLN  76          HE21      GLN  76  -5.242   4.565   4.565
  601    HA   PRO  77           HA       PRO  77 -12.270   6.678   6.678
  602   1HB   PRO  77           HB2      PRO  77 -12.468   9.187   9.187
  603   2HB   PRO  77           HB1      PRO  77 -12.738   7.638   7.638
  604   1HG   PRO  77           HG2      PRO  77 -10.432   9.506   9.506
  605   2HG   PRO  77           HG1      PRO  77 -11.040   8.528   8.528
  606   1HD   PRO  77           HD2      PRO  77  -8.873   8.006   8.006
  607   2HD   PRO  77           HD1      PRO  77  -9.683   6.786   6.786
  608    H    ARG  78           HN       ARG  78  -9.348   8.294   8.294
  609    HA   ARG  78           HA       ARG  78 -10.655   9.513   9.513
  610   1HB   ARG  78           HB2      ARG  78  -9.645  11.720  11.720
  611   2HB   ARG  78           HB1      ARG  78 -10.787  11.179  11.179
  612   1HG   ARG  78           HG2      ARG  78  -8.780  10.298  10.298
  613   2HG   ARG  78           HG1      ARG  78  -7.762  11.016  11.016
  614   1HD   ARG  78           HD2      ARG  78  -7.767  12.816  12.816
  615   2HD   ARG  78           HD1      ARG  78  -9.300  13.190  13.190
  616    HE   ARG  78           HE       ARG  78  -9.930  11.360  11.360
  617   1HH1  ARG  78          HH21      ARG  78  -8.012  12.491  12.491
  618   2HH1  ARG  78          HH22      ARG  78  -8.771  13.920  13.920
  619   1HH2  ARG  78          HH11      ARG  78 -11.146  14.074  14.074
  620   2HH2  ARG  78          HH12      ARG  78 -10.551  14.818  14.818
  621    H    GLY  79           HN       GLY  79  -8.700   7.318   7.318
  622   1HA   GLY  79           HA2      GLY  79  -6.607   8.344   8.344
  623   2HA   GLY  79           HA1      GLY  79  -6.046   7.721   7.721
  624    H    ASP  80           HN       ASP  80  -5.875   5.523   5.523
  625    HA   ASP  80           HA       ASP  80  -6.078   3.826   3.826
  626   1HB   ASP  80           HB2      ASP  80  -4.314   3.555   3.555
  627   2HB   ASP  80           HB1      ASP  80  -5.495   3.324   3.324
  628    HA   PRO  81           HA       PRO  81 -10.291   2.602   2.602
  629   1HB   PRO  81           HB2      PRO  81 -10.360   0.494   0.494
  630   2HB   PRO  81           HB1      PRO  81 -10.403   2.186   2.186
  631   1HG   PRO  81           HG2      PRO  81  -8.099   0.292   0.292
  632   2HG   PRO  81           HG1      PRO  81  -8.541   1.482   1.482
  633   1HD   PRO  81           HD2      PRO  81  -6.587   1.888   1.888
  634   2HD   PRO  81           HD1      PRO  81  -7.533   3.212   3.212
  635    H    THR  82           HN       THR  82  -9.741   1.887   1.887
  636    HA   THR  82           HA       THR  82  -8.618  -0.720  -0.720
  637    HB   THR  82           HB       THR  82  -9.560  -0.188  -0.188
  638    HG1  THR  82           HG1      THR  82 -11.190   1.125   1.125
  639   1HG2  THR  82          HG22      THR  82  -7.402   0.854   0.854
  640   2HG2  THR  82          HG21      THR  82  -8.250   2.325   2.325
  641   3HG2  THR  82          HG23      THR  82  -7.763   1.153   1.153
  642    H    GLY  83           HN       GLY  83 -11.984   0.514   0.514
  643   1HA   GLY  83           HA2      GLY  83 -13.343  -1.547  -1.547
  644   2HA   GLY  83           HA1      GLY  83 -13.010  -2.158  -2.158
  645    HA   PRO  84           HA       PRO  84 -16.520   0.284   0.284
  646   1HB   PRO  84           HB2      PRO  84 -16.529  -0.449  -0.449
  647   2HB   PRO  84           HB1      PRO  84 -17.000  -1.537  -1.537
  648   1HG   PRO  84           HG2      PRO  84 -14.611  -1.660  -1.660
  649   2HG   PRO  84           HG1      PRO  84 -15.193  -2.860  -2.860
  650   1HD   PRO  84           HD2      PRO  84 -13.258  -0.778  -0.778
  651   2HD   PRO  84           HD1      PRO  84 -13.304  -2.251  -2.251
  652    H    LYS  85           HN       LYS  85 -13.361   1.127   1.127
  653    HA   LYS  85           HA       LYS  85 -14.164   3.204   3.204
  654   1HB   LYS  85           HB2      LYS  85 -11.448   2.729   2.729
  655   2HB   LYS  85           HB1      LYS  85 -11.819   3.505   3.505
  656   1HG   LYS  85           HG2      LYS  85 -12.050   0.573   0.573
  657   2HG   LYS  85           HG1      LYS  85 -11.033   1.324   1.324
  658   1HD   LYS  85           HD2      LYS  85 -13.072   2.003   2.003
  659   2HD   LYS  85           HD1      LYS  85 -14.057   1.244   1.244
  660   1HE   LYS  85           HE2      LYS  85 -13.212  -0.903  -0.903
  661   2HE   LYS  85           HE1      LYS  85 -12.071  -0.297  -0.297
  662   1HZ   LYS  85           HZ3      LYS  85 -15.030   0.103   0.103
  663   2HZ   LYS  85           HZ2      LYS  85 -14.227  -1.120  -1.120
  664   3HZ   LYS  85           HZ1      LYS  85 -13.912   0.512   0.512
  665    H    GLU  86           HN       GLU  86 -14.539   3.052   3.052
  666    HA   GLU  86           HA       GLU  86 -13.270   5.507   5.507
  667   1HB   GLU  86           HB2      GLU  86 -15.452   3.699   3.699
  668   2HB   GLU  86           HB1      GLU  86 -14.721   5.007   5.007
  669   1HG   GLU  86           HG2      GLU  86 -12.509   3.870   3.870
  670   2HG   GLU  86           HG1      GLU  86 -13.429   2.542   2.542

  Start of MODEL    8
    1   1H    LEU   1           HT3      LEU   1  14.815 -10.019 -10.019
    2   2H    LEU   1           HT2      LEU   1  15.365 -10.118 -10.118
    3   3H    LEU   1           HT1      LEU   1  14.052 -11.069 -11.069
    4    HA   LEU   1           HA       LEU   1  12.682  -9.116  -9.116
    5   1HB   LEU   1           HB2      LEU   1  12.428  -8.648  -8.648
    6   2HB   LEU   1           HB1      LEU   1  12.941 -10.336 -10.336
    7    HG   LEU   1           HG       LEU   1  15.312  -8.773  -8.773
    8   1HD1  LEU   1          HD13      LEU   1  13.733  -7.020  -7.020
    9   2HD1  LEU   1          HD12      LEU   1  13.526  -8.107  -8.107
   10   3HD1  LEU   1          HD11      LEU   1  15.122  -7.459  -7.459
   11   1HD2  LEU   1          HD21      LEU   1  14.620 -11.137 -11.137
   12   2HD2  LEU   1          HD23      LEU   1  15.880 -10.209 -10.209
   13   3HD2  LEU   1          HD22      LEU   1  14.246 -10.246 -10.246
   14    H    ASP   2           HN       ASP   2  12.479  -6.769  -6.769
   15    HA   ASP   2           HA       ASP   2  13.150  -4.563  -4.563
   16   1HB   ASP   2           HB2      ASP   2  14.197  -5.398  -5.398
   17   2HB   ASP   2           HB1      ASP   2  15.706  -5.259  -5.259
   18    HA   PRO   3           HA       PRO   3  16.231  -5.804  -5.804
   19   1HB   PRO   3           HB2      PRO   3  14.552  -6.122  -6.122
   20   2HB   PRO   3           HB1      PRO   3  14.952  -7.430  -7.430
   21   1HG   PRO   3           HG2      PRO   3  12.451  -5.882  -5.882
   22   2HG   PRO   3           HG1      PRO   3  12.724  -7.510  -7.510
   23   1HD   PRO   3           HD2      PRO   3  12.458  -5.046  -5.046
   24   2HD   PRO   3           HD1      PRO   3  12.663  -6.664  -6.664
   25    H    VAL   4           HN       VAL   4  13.554  -4.340  -4.340
   26    HA   VAL   4           HA       VAL   4  15.070  -1.927  -1.927
   27    HB   VAL   4           HB       VAL   4  12.236  -2.970  -2.970
   28   1HG1  VAL   4          HG11      VAL   4  13.243  -0.239  -0.239
   29   2HG1  VAL   4          HG13      VAL   4  11.821  -1.018  -1.018
   30   3HG1  VAL   4          HG12      VAL   4  11.852  -0.605  -0.605
   31   1HG2  VAL   4          HG23      VAL   4  14.623  -2.535  -2.535
   32   2HG2  VAL   4          HG22      VAL   4  13.607  -3.965  -3.965
   33   3HG2  VAL   4          HG21      VAL   4  13.003  -2.558  -2.558
   34    H    ASP   5           HN       ASP   5  12.146  -2.659  -2.659
   35    HA   ASP   5           HA       ASP   5  12.848  -0.906  -0.906
   36   1HB   ASP   5           HB2      ASP   5  10.833  -0.179  -0.179
   37   2HB   ASP   5           HB1      ASP   5  10.435   0.196   0.196
   38    HA   PRO   6           HA       PRO   6   9.374  -3.832  -3.832
   39   1HB   PRO   6           HB2      PRO   6   7.219  -4.178  -4.178
   40   2HB   PRO   6           HB1      PRO   6   7.373  -2.767  -2.767
   41   1HG   PRO   6           HG2      PRO   6   7.579  -2.917  -2.917
   42   2HG   PRO   6           HG1      PRO   6   7.320  -1.493  -1.493
   43   1HD   PRO   6           HD2      PRO   6   9.731  -2.447  -2.447
   44   2HD   PRO   6           HD1      PRO   6   9.349  -0.937  -0.937
   45    H    ASN   7           HN       ASN   7   8.241  -6.114  -6.114
   46    HA   ASN   7           HA       ASN   7  10.402  -7.465  -7.465
   47   1HB   ASN   7           HB2      ASN   7   7.640  -8.226  -8.226
   48   2HB   ASN   7           HB1      ASN   7   8.677  -9.374  -9.374
   49   1HD2  ASN   7          HD22      ASN   7   9.666  -8.278  -8.278
   50   2HD2  ASN   7          HD21      ASN   7   8.457  -7.421  -7.421
   51    H    ILE   8           HN       ILE   8   6.982  -6.794  -6.794
   52    HA   ILE   8           HA       ILE   8   7.848  -6.861  -6.861
   53    HB   ILE   8           HB       ILE   8   6.074  -8.285  -8.285
   54   1HG1  ILE   8          HG12      ILE   8   4.196  -7.131  -7.131
   55   2HG1  ILE   8          HG11      ILE   8   4.174  -8.820  -8.820
   56   1HG2  ILE   8          HG21      ILE   8   7.806  -9.425  -9.425
   57   2HG2  ILE   8          HG23      ILE   8   6.732  -9.230  -9.230
   58   3HG2  ILE   8          HG22      ILE   8   6.233 -10.222 -10.222
   59   1HD1  ILE   8          HD12      ILE   8   5.478  -8.156  -8.156
   60   2HD1  ILE   8          HD11      ILE   8   5.012  -6.498  -6.498
   61   3HD1  ILE   8          HD13      ILE   8   3.772  -7.713  -7.713
   62    H    GLU   9           HN       GLU   9   6.987  -4.727  -4.727
   63    HA   GLU   9           HA       GLU   9   5.702  -2.739  -2.739
   64   1HB   GLU   9           HB2      GLU   9   6.292  -3.243  -3.243
   65   2HB   GLU   9           HB1      GLU   9   5.462  -1.808  -1.808
   66   1HG   GLU   9           HG2      GLU   9   7.350  -1.293  -1.293
   67   2HG   GLU   9           HG1      GLU   9   8.224  -2.711  -2.711
   68    HA   PRO  10           HA       PRO  10   1.775  -4.818  -4.818
   69   1HB   PRO  10           HB2      PRO  10   0.890  -5.551  -5.551
   70   2HB   PRO  10           HB1      PRO  10   2.071  -6.396  -6.396
   71   1HG   PRO  10           HG2      PRO  10   2.541  -4.924  -4.924
   72   2HG   PRO  10           HG1      PRO  10   3.481  -6.248  -6.248
   73   1HD   PRO  10           HD2      PRO  10   3.935  -3.413  -3.413
   74   2HD   PRO  10           HD1      PRO  10   4.931  -4.744  -4.744
   75    H    TRP  11           HN       TRP  11   2.382  -1.899  -1.899
   76    HA   TRP  11           HA       TRP  11  -0.236  -1.214  -1.214
   77   1HB   TRP  11           HB2      TRP  11   2.140   0.615   0.615
   78   2HB   TRP  11           HB1      TRP  11   0.725   0.860   0.860
   79    HD1  TRP  11           HD1      TRP  11   3.694  -1.605  -1.605
   80    HE1  TRP  11           HE1      TRP  11   4.348  -2.147  -2.147
   81    HE3  TRP  11           HE3      TRP  11   0.162   1.112   1.112
   82    HZ2  TRP  11           HZ2      TRP  11   3.489  -1.499  -1.499
   83    HZ3  TRP  11           HZ3      TRP  11   0.114   1.128   1.128
   84    HH2  TRP  11           HH2      TRP  11   1.766  -0.169  -0.169
   85    H    ASN  12           HN       ASN  12  -0.305  -2.215  -2.215
   86    HA   ASN  12           HA       ASN  12  -0.957   0.206   0.206
   87   1HB   ASN  12           HB2      ASN  12   0.123  -2.393  -2.393
   88   2HB   ASN  12           HB1      ASN  12   0.081  -0.807  -0.807
   89   1HD2  ASN  12          HD22      ASN  12   3.067  -1.272  -1.272
   90   2HD2  ASN  12          HD21      ASN  12   1.673  -2.235  -2.235
   91    H    HIS  13           HN       HIS  13  -3.091  -0.575  -0.575
   92    HA   HIS  13           HA       HIS  13  -4.381  -2.874  -2.874
   93   1HB   HIS  13           HB2      HIS  13  -5.003  -1.167  -1.167
   94   2HB   HIS  13           HB1      HIS  13  -6.128  -2.379  -2.379
   95    HD1  HIS  13           HD1      HIS  13  -5.300  -3.036  -3.036
   96    HD2  HIS  13           HD2      HIS  13  -2.801  -4.009  -4.009
   97    HE1  HIS  13           HE1      HIS  13  -3.754  -4.858  -4.858
   98    HA   PRO  14           HA       PRO  14  -7.071  -0.169  -0.169
   99   1HB   PRO  14           HB2      PRO  14  -9.429  -1.603  -1.603
  100   2HB   PRO  14           HB1      PRO  14  -8.144  -2.068  -2.068
  101   1HG   PRO  14           HG2      PRO  14  -9.067  -3.102  -3.102
  102   2HG   PRO  14           HG1      PRO  14  -8.267  -3.976  -3.976
  103   1HD   PRO  14           HD2      PRO  14  -7.070  -3.151  -3.151
  104   2HD   PRO  14           HD1      PRO  14  -6.188  -3.639  -3.639
  105    H    GLY  15           HN       GLY  15  -7.994  -1.200  -1.200
  106   1HA   GLY  15           HA2      GLY  15  -9.034  -0.044  -0.044
  107   2HA   GLY  15           HA1      GLY  15  -9.272   1.364   1.364
  108    H    SER  16           HN       SER  16 -10.164  -1.884  -1.884
  109    HA   SER  16           HA       SER  16 -13.014  -1.589  -1.589
  110   1HB   SER  16           HB2      SER  16 -12.424  -0.330  -0.330
  111   2HB   SER  16           HB1      SER  16 -12.046  -1.902  -1.902
  112    HG   SER  16           HG       SER  16 -14.378  -0.865  -0.865
  113    H    GLN  17           HN       GLN  17 -10.420  -3.584  -3.584
  114    HA   GLN  17           HA       GLN  17 -12.113  -5.993  -5.993
  115   1HB   GLN  17           HB2      GLN  17  -9.536  -5.291  -5.291
  116   2HB   GLN  17           HB1      GLN  17 -10.193  -6.979  -6.979
  117   1HG   GLN  17           HG2      GLN  17 -12.299  -6.098  -6.098
  118   2HG   GLN  17           HG1      GLN  17 -11.441  -4.590  -4.590
  119   1HE2  GLN  17          HE22      GLN  17 -11.152  -6.758  -6.758
  120   2HE2  GLN  17          HE21      GLN  17 -12.441  -6.036  -6.036
  121    HA   PRO  18           HA       PRO  18  -8.416  -7.360  -7.360
  122   1HB   PRO  18           HB2      PRO  18  -6.290  -5.666  -5.666
  123   2HB   PRO  18           HB1      PRO  18  -6.400  -6.820  -6.820
  124   1HG   PRO  18           HG2      PRO  18  -7.034  -3.907  -3.907
  125   2HG   PRO  18           HG1      PRO  18  -6.144  -4.832  -4.832
  126   1HD   PRO  18           HD2      PRO  18  -8.669  -4.023  -4.023
  127   2HD   PRO  18           HD1      PRO  18  -8.072  -5.532  -5.532
  128    H    LYS  19           HN       LYS  19  -9.876  -4.286  -4.286
  129    HA   LYS  19           HA       LYS  19  -9.683  -4.209  -4.209
  130   1HB   LYS  19           HB2      LYS  19 -10.004  -1.838  -1.838
  131   2HB   LYS  19           HB1      LYS  19  -9.441  -1.851  -1.851
  132   1HG   LYS  19           HG2      LYS  19  -7.358  -3.079  -3.079
  133   2HG   LYS  19           HG1      LYS  19  -8.006  -2.925  -2.925
  134   1HD   LYS  19           HD2      LYS  19  -6.356  -1.157  -1.157
  135   2HD   LYS  19           HD1      LYS  19  -7.956  -0.434  -0.434
  136   1HE   LYS  19           HE2      LYS  19  -8.080  -0.508  -0.508
  137   2HE   LYS  19           HE1      LYS  19  -6.380  -1.019  -1.019
  138   1HZ   LYS  19           HZ2      LYS  19  -7.457   1.399   1.399
  139   2HZ   LYS  19           HZ1      LYS  19  -6.653   1.420   1.420
  140   3HZ   LYS  19           HZ3      LYS  19  -5.822   0.945   0.945
  141    H    THR  20           HN       THR  20 -11.731  -4.779  -4.779
  142    HA   THR  20           HA       THR  20 -14.112  -3.953  -3.953
  143    HB   THR  20           HB       THR  20 -13.463  -3.184  -3.184
  144    HG1  THR  20           HG1      THR  20 -12.805  -1.495  -1.495
  145   1HG2  THR  20          HG21      THR  20 -16.000  -3.797  -3.797
  146   2HG2  THR  20          HG23      THR  20 -15.908  -2.038  -2.038
  147   3HG2  THR  20          HG22      THR  20 -15.660  -3.025  -3.025
  148    H    ALA  21           HN       ALA  21 -12.869  -5.742  -5.742
  149    HA   ALA  21           HA       ALA  21 -15.317  -7.218  -7.218
  150   1HB   ALA  21           HB3      ALA  21 -12.438  -7.755  -7.755
  151   2HB   ALA  21           HB2      ALA  21 -13.837  -8.564  -8.564
  152   3HB   ALA  21           HB1      ALA  21 -13.611  -6.832  -6.832
  153    H    CYS  22           HN       CYS  22 -15.532  -7.766  -7.766
  154    HA   CYS  22           HA       CYS  22 -15.278  -9.261  -9.261
  155   1HB   CYS  22           HB2      CYS  22 -16.333 -11.267 -11.267
  156   2HB   CYS  22           HB1      CYS  22 -16.504  -9.996  -9.996
  157    HG   CYS  22           HG       CYS  22 -14.926 -12.592 -12.592
  158    H    ASN  23           HN       ASN  23 -12.732  -8.338  -8.338
  159    HA   ASN  23           HA       ASN  23 -10.846 -10.515 -10.515
  160   1HB   ASN  23           HB2      ASN  23  -9.271  -8.696  -8.696
  161   2HB   ASN  23           HB1      ASN  23 -10.796  -8.090  -8.090
  162   1HD2  ASN  23          HD22      ASN  23 -11.471  -5.816  -5.816
  163   2HD2  ASN  23          HD21      ASN  23 -12.088  -6.585  -6.585
  164    H    ARG  24           HN       ARG  24  -8.913  -9.576  -9.576
  165    HA   ARG  24           HA       ARG  24  -9.259 -11.268 -11.268
  166   1HB   ARG  24           HB2      ARG  24  -7.778  -8.684  -8.684
  167   2HB   ARG  24           HB1      ARG  24  -7.342  -9.853  -9.853
  168   1HG   ARG  24           HG2      ARG  24  -6.369 -11.265 -11.265
  169   2HG   ARG  24           HG1      ARG  24  -7.401 -10.811 -10.811
  170   1HD   ARG  24           HD2      ARG  24  -5.546  -8.845  -8.845
  171   2HD   ARG  24           HD1      ARG  24  -4.918  -9.957  -9.957
  172    HE   ARG  24           HE       ARG  24  -7.049  -7.841  -7.841
  173   1HH1  ARG  24          HH11      ARG  24  -7.703 -10.159 -10.159
  174   2HH1  ARG  24          HH12      ARG  24  -6.897  -9.743  -9.743
  175   1HH2  ARG  24          HH21      ARG  24  -4.864  -7.344  -7.344
  176   2HH2  ARG  24          HH22      ARG  24  -5.285  -8.147  -8.147
  177    H    CYS  25           HN       CYS  25  -9.109  -7.731  -7.731
  178    HA   CYS  25           HA       CYS  25 -10.418  -6.272  -6.272
  179   1HB   CYS  25           HB2      CYS  25 -11.984  -7.803  -7.803
  180   2HB   CYS  25           HB1      CYS  25 -12.406  -8.422  -8.422
  181    HG   CYS  25           HG       CYS  25 -14.020  -6.297  -6.297
  182    H    HIS  26           HN       HIS  26  -8.507  -7.931  -7.931
  183    HA   HIS  26           HA       HIS  26  -9.465  -7.801  -7.801
  184   1HB   HIS  26           HB2      HIS  26  -9.001 -10.375 -10.375
  185   2HB   HIS  26           HB1      HIS  26 -10.526  -9.782  -9.782
  186    HD1  HIS  26           HD1      HIS  26 -10.551 -12.353 -12.353
  187    HD2  HIS  26           HD2      HIS  26  -7.842  -9.675  -9.675
  188    HE1  HIS  26           HE1      HIS  26  -9.815 -13.345 -13.345
  189    H    CYS  27           HN       CYS  27  -7.057 -10.198 -10.198
  190    HA   CYS  27           HA       CYS  27  -4.949  -9.251  -9.251
  191   1HB   CYS  27           HB2      CYS  27  -5.217 -11.444 -11.444
  192   2HB   CYS  27           HB1      CYS  27  -4.763 -10.551 -10.551
  193    HG   CYS  27           HG       CYS  27  -2.454 -11.254 -11.254
  194    H    LYS  28           HN       LYS  28  -6.073  -8.047  -8.047
  195    HA   LYS  28           HA       LYS  28  -3.730  -6.685  -6.685
  196   1HB   LYS  28           HB2      LYS  28  -5.735  -7.178  -7.178
  197   2HB   LYS  28           HB1      LYS  28  -6.622  -6.121  -6.121
  198   1HG   LYS  28           HG2      LYS  28  -5.137  -4.214  -4.214
  199   2HG   LYS  28           HG1      LYS  28  -4.382  -5.331  -5.331
  200   1HD   LYS  28           HD2      LYS  28  -6.012  -4.179  -4.179
  201   2HD   LYS  28           HD1      LYS  28  -6.749  -5.737  -5.737
  202   1HE   LYS  28           HE2      LYS  28  -7.937  -4.682  -4.682
  203   2HE   LYS  28           HE1      LYS  28  -7.260  -3.115  -3.115
  204   1HZ   LYS  28           HZ2      LYS  28  -8.834  -4.919  -4.919
  205   2HZ   LYS  28           HZ1      LYS  28  -9.464  -3.547  -3.547
  206   3HZ   LYS  28           HZ3      LYS  28  -8.253  -3.371  -3.371
  207    H    LYS  29           HN       LYS  29  -6.246  -5.716  -5.716
  208    HA   LYS  29           HA       LYS  29  -4.572  -3.434  -3.434
  209   1HB   LYS  29           HB2      LYS  29  -6.225  -1.794  -1.794
  210   2HB   LYS  29           HB1      LYS  29  -6.210  -2.836  -2.836
  211   1HG   LYS  29           HG2      LYS  29  -8.201  -2.991  -2.991
  212   2HG   LYS  29           HG1      LYS  29  -8.473  -2.245  -2.245
  213   1HD   LYS  29           HD2      LYS  29  -7.959  -4.518  -4.518
  214   2HD   LYS  29           HD1      LYS  29  -7.971  -5.160  -5.160
  215   1HE   LYS  29           HE2      LYS  29 -10.160  -5.568  -5.568
  216   2HE   LYS  29           HE1      LYS  29 -10.294  -4.031  -4.031
  217   1HZ   LYS  29           HZ1      LYS  29  -9.782  -4.189  -4.189
  218   2HZ   LYS  29           HZ3      LYS  29 -11.343  -4.060  -4.060
  219   3HZ   LYS  29           HZ2      LYS  29 -10.213  -2.818  -2.818
  220    H    CYS  30           HN       CYS  30  -5.617  -6.045  -6.045
  221    HA   CYS  30           HA       CYS  30  -7.740  -5.739  -5.739
  222   1HB   CYS  30           HB2      CYS  30  -6.549  -7.637  -7.637
  223   2HB   CYS  30           HB1      CYS  30  -6.723  -7.792  -7.792
  224    HG   CYS  30           HG       CYS  30  -4.229  -8.363  -8.363
  225    H    CYS  31           HN       CYS  31  -4.251  -5.230  -5.230
  226    HA   CYS  31           HA       CYS  31  -4.731  -2.889  -2.889
  227   1HB   CYS  31           HB2      CYS  31  -5.558  -5.352  -5.352
  228   2HB   CYS  31           HB1      CYS  31  -4.108  -4.878  -4.878
  229    HG   CYS  31           HG       CYS  31  -6.399  -3.721  -3.721
  230    H    TYR  32           HN       TYR  32  -2.747  -3.067  -3.067
  231    HA   TYR  32           HA       TYR  32  -0.332  -3.193  -3.193
  232   1HB   TYR  32           HB2      TYR  32   0.758  -4.928  -4.928
  233   2HB   TYR  32           HB1      TYR  32  -0.786  -5.543  -5.543
  234    HD1  TYR  32           HD1      TYR  32  -2.731  -4.518  -4.518
  235    HD2  TYR  32           HD2      TYR  32   1.362  -5.678  -5.678
  236    HE1  TYR  32           HE1      TYR  32  -3.210  -4.991  -4.991
  237    HE2  TYR  32           HE2      TYR  32   0.881  -6.147  -6.147
  238    HH   TYR  32           HH       TYR  32  -1.514  -6.817  -6.817
  239    H    HIS  33           HN       HIS  33  -1.620  -1.023  -1.023
  240    HA   HIS  33           HA       HIS  33  -1.202   0.890   0.890
  241   1HB   HIS  33           HB2      HIS  33   1.522  -0.471  -0.471
  242   2HB   HIS  33           HB1      HIS  33   1.167   1.216   1.216
  243    HD1  HIS  33           HD1      HIS  33   1.038   2.899   2.899
  244    HD2  HIS  33           HD2      HIS  33   1.229  -1.025  -1.025
  245    HE1  HIS  33           HE1      HIS  33   1.362   3.045   3.045
  246    H    CYS  34           HN       CYS  34  -1.756  -1.994  -1.994
  247    HA   CYS  34           HA       CYS  34  -2.116  -2.831  -2.831
  248   1HB   CYS  34           HB2      CYS  34  -2.251   0.074   0.074
  249   2HB   CYS  34           HB1      CYS  34  -3.123  -1.276  -1.276
  250    HG   CYS  34           HG       CYS  34  -4.555   0.162   0.162
  251    H    GLN  35           HN       GLN  35   0.201  -3.534  -3.534
  252    HA   GLN  35           HA       GLN  35   1.984  -1.796  -1.796
  253   1HB   GLN  35           HB2      GLN  35   2.378  -4.511  -4.511
  254   2HB   GLN  35           HB1      GLN  35   3.650  -3.529  -3.529
  255   1HG   GLN  35           HG2      GLN  35   1.985  -2.825  -2.825
  256   2HG   GLN  35           HG1      GLN  35   3.732  -3.142  -3.142
  257   1HE2  GLN  35          HE22      GLN  35   2.456   0.579   0.579
  258   2HE2  GLN  35          HE21      GLN  35   1.486  -0.664  -0.664
  259    H    VAL  36           HN       VAL  36   0.067  -4.760  -4.760
  260    HA   VAL  36           HA       VAL  36  -0.396  -6.134  -6.134
  261    HB   VAL  36           HB       VAL  36   0.486  -3.641  -3.641
  262   1HG1  VAL  36          HG12      VAL  36  -0.936  -6.078  -6.078
  263   2HG1  VAL  36          HG11      VAL  36  -1.604  -4.552  -4.552
  264   3HG1  VAL  36          HG13      VAL  36   0.072  -4.970  -4.970
  265   1HG2  VAL  36          HG22      VAL  36  -1.617  -3.781  -3.781
  266   2HG2  VAL  36          HG21      VAL  36  -1.239  -2.484  -2.484
  267   3HG2  VAL  36          HG23      VAL  36  -2.345  -3.773  -3.773
  268    H    CYS  37           HN       CYS  37   1.662  -7.314  -7.314
  269    HA   CYS  37           HA       CYS  37   3.886  -8.104  -8.104
  270   1HB   CYS  37           HB2      CYS  37   3.882  -9.303  -9.303
  271   2HB   CYS  37           HB1      CYS  37   2.321  -9.430  -9.430
  272    HG   CYS  37           HG       CYS  37   1.460  -8.638  -8.638
  273    H    PHE  38           HN       PHE  38   4.575  -5.652  -5.652
  274    HA   PHE  38           HA       PHE  38   5.544  -4.493  -4.493
  275   1HB   PHE  38           HB2      PHE  38   6.066  -2.581  -2.581
  276   2HB   PHE  38           HB1      PHE  38   4.440  -3.138  -3.138
  277    HD1  PHE  38           HD1      PHE  38   6.072  -5.551  -5.551
  278    HD2  PHE  38           HD2      PHE  38   6.039  -1.255  -1.255
  279    HE1  PHE  38           HE1      PHE  38   6.869  -5.515  -5.515
  280    HE2  PHE  38           HE2      PHE  38   6.844  -1.231  -1.231
  281    HZ   PHE  38           HZ       PHE  38   7.257  -3.357  -3.357
  282    H    ILE  39           HN       ILE  39   7.873  -3.276  -3.276
  283    HA   ILE  39           HA       ILE  39   9.973  -4.777  -4.777
  284    HB   ILE  39           HB       ILE  39  11.387  -3.412  -3.412
  285   1HG1  ILE  39          HG12      ILE  39   8.932  -2.023  -2.023
  286   2HG1  ILE  39          HG11      ILE  39   9.331  -3.455  -3.455
  287   1HG2  ILE  39          HG21      ILE  39   9.643  -2.568  -2.568
  288   2HG2  ILE  39          HG23      ILE  39   9.585  -1.323  -1.323
  289   3HG2  ILE  39          HG22      ILE  39  11.130  -1.788  -1.788
  290   1HD1  ILE  39          HD13      ILE  39  11.340  -1.270  -1.270
  291   2HD1  ILE  39          HD12      ILE  39  10.317  -1.279  -1.279
  292   3HD1  ILE  39          HD11      ILE  39  11.484  -2.575  -2.575
  293    H    THR  40           HN       THR  40   8.645  -5.093  -5.093
  294    HA   THR  40           HA       THR  40  10.535  -7.380  -7.380
  295    HB   THR  40           HB       THR  40   9.023  -5.648  -5.648
  296    HG1  THR  40           HG1      THR  40  11.727  -5.571  -5.571
  297   1HG2  THR  40          HG23      THR  40  10.190  -8.126  -8.126
  298   2HG2  THR  40          HG22      THR  40  11.465  -7.005  -7.005
  299   3HG2  THR  40          HG21      THR  40   9.883  -6.925  -6.925
  300    H    LYS  41           HN       LYS  41   9.670  -9.367  -9.367
  301    HA   LYS  41           HA       LYS  41   6.893  -9.913  -9.913
  302   1HB   LYS  41           HB2      LYS  41   9.129 -11.524 -11.524
  303   2HB   LYS  41           HB1      LYS  41   7.560 -12.210 -12.210
  304   1HG   LYS  41           HG2      LYS  41   9.513 -10.792 -10.792
  305   2HG   LYS  41           HG1      LYS  41   9.207 -12.535 -12.535
  306   1HD   LYS  41           HD2      LYS  41   7.763 -11.917 -11.917
  307   2HD   LYS  41           HD1      LYS  41   6.679 -11.668 -11.668
  308   1HE   LYS  41           HE2      LYS  41   7.819  -9.196  -9.196
  309   2HE   LYS  41           HE1      LYS  41   8.020  -9.627  -9.627
  310   1HZ   LYS  41           HZ2      LYS  41   5.555 -10.409 -10.409
  311   2HZ   LYS  41           HZ1      LYS  41   5.651  -9.359  -9.359
  312   3HZ   LYS  41           HZ3      LYS  41   5.890  -8.761  -8.761
  313    H    GLY  42           HN       GLY  42   8.298  -8.638  -8.638
  314   1HA   GLY  42           HA2      GLY  42   6.567  -9.934  -9.934
  315   2HA   GLY  42           HA1      GLY  42   7.565  -8.510  -8.510
  316    H    LEU  43           HN       LEU  43   5.930  -7.726  -7.726
  317    HA   LEU  43           HA       LEU  43   4.040  -6.416  -6.416
  318   1HB   LEU  43           HB2      LEU  43   2.891  -7.589  -7.589
  319   2HB   LEU  43           HB1      LEU  43   2.064  -6.953  -6.953
  320    HG   LEU  43           HG       LEU  43   3.774  -9.410  -9.410
  321   1HD1  LEU  43          HD13      LEU  43   1.125  -8.769  -8.769
  322   2HD1  LEU  43          HD12      LEU  43   1.026  -9.822  -9.822
  323   3HD1  LEU  43          HD11      LEU  43   1.949 -10.329 -10.329
  324   1HD2  LEU  43          HD22      LEU  43   2.165  -7.907  -7.907
  325   2HD2  LEU  43          HD21      LEU  43   3.895  -8.252  -8.252
  326   3HD2  LEU  43          HD23      LEU  43   2.728  -9.564  -9.564
  327    H    GLY  44           HN       GLY  44   6.228  -5.273  -5.273
  328   1HA   GLY  44           HA2      GLY  44   6.722  -3.341  -3.341
  329   2HA   GLY  44           HA1      GLY  44   5.175  -2.751  -2.751
  330    H    ILE  45           HN       ILE  45   5.409  -5.664  -5.664
  331    HA   ILE  45           HA       ILE  45   3.635  -4.596  -4.596
  332    HB   ILE  45           HB       ILE  45   4.207  -6.752  -6.752
  333   1HG1  ILE  45          HG12      ILE  45   6.229  -6.927  -6.927
  334   2HG1  ILE  45          HG11      ILE  45   6.449  -7.075  -7.075
  335   1HG2  ILE  45          HG23      ILE  45   3.352  -6.606  -6.606
  336   2HG2  ILE  45          HG22      ILE  45   3.475  -8.175  -8.175
  337   3HG2  ILE  45          HG21      ILE  45   2.385  -6.946  -6.946
  338   1HD1  ILE  45          HD12      ILE  45   4.852  -9.132  -9.132
  339   2HD1  ILE  45          HD11      ILE  45   6.542  -9.299  -9.299
  340   3HD1  ILE  45          HD13      ILE  45   5.303  -9.068  -9.068
  341    H    SER  46           HN       SER  46   7.165  -5.376  -5.376
  342    HA   SER  46           HA       SER  46   7.744  -3.082  -3.082
  343   1HB   SER  46           HB2      SER  46   6.327  -4.902  -4.902
  344   2HB   SER  46           HB1      SER  46   7.919  -5.603  -5.603
  345    HG   SER  46           HG       SER  46   7.892  -4.193  -4.193
  346    H    TYR  47           HN       TYR  47   8.949  -4.919  -4.919
  347    HA   TYR  47           HA       TYR  47  11.400  -5.981  -5.981
  348   1HB   TYR  47           HB2      TYR  47  11.935  -6.542  -6.542
  349   2HB   TYR  47           HB1      TYR  47  10.220  -6.874  -6.874
  350    HD1  TYR  47           HD1      TYR  47  12.531  -4.331  -4.331
  351    HD2  TYR  47           HD2      TYR  47   8.520  -5.830  -5.830
  352    HE1  TYR  47           HE1      TYR  47  11.849  -2.818  -2.818
  353    HE2  TYR  47           HE2      TYR  47   7.840  -4.335  -4.335
  354    HH   TYR  47           HH       TYR  47   9.562  -3.086  -3.086
  355    H    GLY  48           HN       GLY  48  10.412  -2.953  -2.953
  356   1HA   GLY  48           HA2      GLY  48  12.029  -1.031  -1.031
  357   2HA   GLY  48           HA1      GLY  48  13.234  -1.942  -1.942
  358    H    ARG  49           HN       ARG  49   9.919  -0.750  -0.750
  359    HA   ARG  49           HA       ARG  49  10.350  -0.522  -0.522
  360   1HB   ARG  49           HB2      ARG  49   8.183  -0.800  -0.800
  361   2HB   ARG  49           HB1      ARG  49   8.410   0.703   0.703
  362   1HG   ARG  49           HG2      ARG  49   8.597   1.784   1.784
  363   2HG   ARG  49           HG1      ARG  49   8.101   0.214   0.214
  364   1HD   ARG  49           HD2      ARG  49   6.518   2.060   2.060
  365   2HD   ARG  49           HD1      ARG  49   6.136   1.608   1.608
  366    HE   ARG  49           HE       ARG  49   6.101  -0.818  -0.818
  367   1HH1  ARG  49          HH11      ARG  49   6.340   1.098   1.098
  368   2HH1  ARG  49          HH12      ARG  49   4.825   0.656   0.656
  369   1HH2  ARG  49          HH21      ARG  49   3.676  -1.023  -1.023
  370   2HH2  ARG  49          HH22      ARG  49   3.323  -0.551  -0.551
  371    H    LYS  50           HN       LYS  50  11.448   1.021   1.021
  372    HA   LYS  50           HA       LYS  50  12.882   3.121   3.121
  373   1HB   LYS  50           HB2      LYS  50  13.171   3.880   3.880
  374   2HB   LYS  50           HB1      LYS  50  13.689   2.279   2.279
  375   1HG   LYS  50           HG2      LYS  50  10.865   2.325   2.325
  376   2HG   LYS  50           HG1      LYS  50  11.917   2.897   2.897
  377   1HD   LYS  50           HD2      LYS  50  11.791   0.166   0.166
  378   2HD   LYS  50           HD1      LYS  50  11.904   0.617   0.617
  379   1HE   LYS  50           HE2      LYS  50  14.322   1.418   1.418
  380   2HE   LYS  50           HE1      LYS  50  14.013   0.550   0.550
  381   1HZ   LYS  50           HZ1      LYS  50  13.616  -0.673  -0.673
  382   2HZ   LYS  50           HZ3      LYS  50  15.005  -0.898  -0.898
  383   3HZ   LYS  50           HZ2      LYS  50  13.496  -1.432  -1.432
  384    H    LYS  51           HN       LYS  51   9.724   3.187   3.187
  385    HA   LYS  51           HA       LYS  51   8.753   5.447   5.447
  386   1HB   LYS  51           HB2      LYS  51   8.988   7.135   7.135
  387   2HB   LYS  51           HB1      LYS  51  10.420   6.815   6.815
  388   1HG   LYS  51           HG2      LYS  51  11.205   5.209   5.209
  389   2HG   LYS  51           HG1      LYS  51   9.706   5.403   5.403
  390   1HD   LYS  51           HD2      LYS  51  10.297   7.908   7.908
  391   2HD   LYS  51           HD1      LYS  51  11.905   7.374   7.374
  392   1HE   LYS  51           HE2      LYS  51  11.707   5.712   5.712
  393   2HE   LYS  51           HE1      LYS  51  10.429   6.832   6.832
  394   1HZ   LYS  51           HZ2      LYS  51  13.209   7.602   7.602
  395   2HZ   LYS  51           HZ1      LYS  51  12.677   7.495   7.495
  396   3HZ   LYS  51           HZ3      LYS  51  12.012   8.663   8.663
  397    H    ARG  52           HN       ARG  52   7.906   6.235   6.235
  398    HA   ARG  52           HA       ARG  52   5.326   4.891   4.891
  399   1HB   ARG  52           HB2      ARG  52   6.649   6.877   6.877
  400   2HB   ARG  52           HB1      ARG  52   5.129   6.172   6.172
  401   1HG   ARG  52           HG2      ARG  52   4.248   7.913   7.913
  402   2HG   ARG  52           HG1      ARG  52   4.481   6.827   6.827
  403   1HD   ARG  52           HD2      ARG  52   5.433   9.036   9.036
  404   2HD   ARG  52           HD1      ARG  52   6.751   7.868   7.868
  405    HE   ARG  52           HE       ARG  52   6.291   8.867   8.867
  406   1HH1  ARG  52          HH11      ARG  52   5.934  11.165  11.165
  407   2HH1  ARG  52          HH12      ARG  52   7.446  11.976  11.976
  408   1HH2  ARG  52          HH21      ARG  52   8.806   9.430   9.430
  409   2HH2  ARG  52          HH22      ARG  52   9.076  10.991  10.991
  410    H    ARG  53           HN       ARG  53   8.296   4.387   4.387
  411    HA   ARG  53           HA       ARG  53   8.954   2.642   2.642
  412   1HB   ARG  53           HB2      ARG  53   7.922   1.281   1.281
  413   2HB   ARG  53           HB1      ARG  53   6.306   1.418   1.418
  414   1HG   ARG  53           HG2      ARG  53   8.502   0.467   0.467
  415   2HG   ARG  53           HG1      ARG  53   7.954  -0.618  -0.618
  416   1HD   ARG  53           HD2      ARG  53   5.770  -0.783  -0.783
  417   2HD   ARG  53           HD1      ARG  53   5.890   0.734   0.734
  418    HE   ARG  53           HE       ARG  53   7.190  -1.823  -1.823
  419   1HH1  ARG  53          HH21      ARG  53   9.167  -0.453  -0.453
  420   2HH1  ARG  53          HH22      ARG  53   8.545   0.410   0.410
  421   1HH2  ARG  53          HH11      ARG  53   5.236   0.165   0.165
  422   2HH2  ARG  53          HH12      ARG  53   6.320   0.754   0.754
  423    H    GLN  54           HN       GLN  54   6.324   4.687   4.687
  424    HA   GLN  54           HA       GLN  54   5.169   3.557   3.557
  425   1HB   GLN  54           HB2      GLN  54   4.612   5.929   5.929
  426   2HB   GLN  54           HB1      GLN  54   4.288   5.521   5.521
  427   1HG   GLN  54           HG2      GLN  54   6.742   6.487   6.487
  428   2HG   GLN  54           HG1      GLN  54   6.454   7.227   7.227
  429   1HE2  GLN  54          HE22      GLN  54   5.352   9.774   9.774
  430   2HE2  GLN  54          HE21      GLN  54   6.756   9.189   9.189
  431    H    ARG  55           HN       ARG  55   7.978   5.711   5.711
  432    HA   ARG  55           HA       ARG  55   9.735   6.312   6.312
  433   1HB   ARG  55           HB2      ARG  55   9.511   3.350   3.350
  434   2HB   ARG  55           HB1      ARG  55  10.984   4.314   4.314
  435   1HG   ARG  55           HG2      ARG  55  10.624   4.646   4.646
  436   2HG   ARG  55           HG1      ARG  55   9.136   3.936   3.936
  437   1HD   ARG  55           HD2      ARG  55   9.932   1.729   1.729
  438   2HD   ARG  55           HD1      ARG  55  11.469   2.330   2.330
  439    HE   ARG  55           HE       ARG  55  10.841   3.143   3.143
  440   1HH1  ARG  55          HH11      ARG  55  11.581   0.153   0.153
  441   2HH1  ARG  55          HH12      ARG  55  13.177   0.062   0.062
  442   1HH2  ARG  55          HH21      ARG  55  13.315   3.434   3.434
  443   2HH2  ARG  55          HH22      ARG  55  14.161   1.923   1.923
  444    H    ARG  56           HN       ARG  56   7.031   6.474   6.474
  445    HA   ARG  56           HA       ARG  56   7.751   6.940   6.940
  446   1HB   ARG  56           HB2      ARG  56   6.576   5.126   5.126
  447   2HB   ARG  56           HB1      ARG  56   7.590   4.379   4.379
  448   1HG   ARG  56           HG2      ARG  56   5.372   4.815   4.815
  449   2HG   ARG  56           HG1      ARG  56   4.626   4.737   4.737
  450   1HD   ARG  56           HD2      ARG  56   6.654   2.668   2.668
  451   2HD   ARG  56           HD1      ARG  56   5.089   2.573   2.573
  452    HE   ARG  56           HE       ARG  56   4.555   3.144   3.144
  453   1HH1  ARG  56          HH11      ARG  56   4.314   0.628   0.628
  454   2HH1  ARG  56          HH12      ARG  56   4.479  -0.642  -0.642
  455   1HH2  ARG  56          HH21      ARG  56   5.406   1.489   1.489
  456   2HH2  ARG  56          HH22      ARG  56   5.093  -0.152  -0.152
  457    H    ARG  57           HN       ARG  57   6.467   8.302   8.302
  458    HA   ARG  57           HA       ARG  57   3.669   8.420   8.420
  459   1HB   ARG  57           HB2      ARG  57   5.124   9.482   9.482
  460   2HB   ARG  57           HB1      ARG  57   5.788  10.586  10.586
  461   1HG   ARG  57           HG2      ARG  57   4.158  11.953  11.953
  462   2HG   ARG  57           HG1      ARG  57   3.165  11.204  11.204
  463   1HD   ARG  57           HD2      ARG  57   2.235   9.647   9.647
  464   2HD   ARG  57           HD1      ARG  57   3.425  10.024  10.024
  465    HE   ARG  57           HE       ARG  57   1.248  11.868  11.868
  466   1HH1  ARG  57          HH21      ARG  57   3.285  13.671  13.671
  467   2HH1  ARG  57          HH22      ARG  57   3.154  13.765  13.765
  468   1HH2  ARG  57          HH11      ARG  57   1.297  10.843  10.843
  469   2HH2  ARG  57          HH12      ARG  57   2.026  12.161  12.161
  470    HA   PRO  58           HA       PRO  58   3.895  11.661  11.661
  471   1HB   PRO  58           HB2      PRO  58   6.045  11.452  11.452
  472   2HB   PRO  58           HB1      PRO  58   6.006  12.529  12.529
  473   1HG   PRO  58           HG2      PRO  58   7.218   9.808   9.808
  474   2HG   PRO  58           HG1      PRO  58   7.888  11.262  11.262
  475   1HD   PRO  58           HD2      PRO  58   6.861   9.275   9.275
  476   2HD   PRO  58           HD1      PRO  58   6.685  10.926  10.926
  477    H    SER  59           HN       SER  59   4.812   8.303   8.303
  478    HA   SER  59           HA       SER  59   3.897   7.942   7.942
  479   1HB   SER  59           HB2      SER  59   4.774   6.043   6.043
  480   2HB   SER  59           HB1      SER  59   4.409   5.545   5.545
  481    HG   SER  59           HG       SER  59   6.263   6.270   6.270
  482    H    GLN  60           HN       GLN  60   1.726   7.855   7.855
  483    HA   GLN  60           HA       GLN  60  -0.053   6.293   6.293
  484   1HB   GLN  60           HB2      GLN  60  -0.130   9.249   9.249
  485   2HB   GLN  60           HB1      GLN  60  -1.647   8.339   8.339
  486   1HG   GLN  60           HG2      GLN  60  -1.079   7.483   7.483
  487   2HG   GLN  60           HG1      GLN  60   0.568   8.059   8.059
  488   1HE2  GLN  60          HE22      GLN  60  -0.151  11.289  11.289
  489   2HE2  GLN  60          HE21      GLN  60   1.007  10.081  10.081
  490    H    GLY  61           HN       GLY  61   1.018   5.905   5.905
  491   1HA   GLY  61           HA2      GLY  61  -1.190   6.466   6.466
  492   2HA   GLY  61           HA1      GLY  61   0.263   5.529   5.529
  493    H    GLY  62           HN       GLY  62  -2.954   5.438   5.438
  494   1HA   GLY  62           HA2      GLY  62  -4.429   3.641   3.641
  495   2HA   GLY  62           HA1      GLY  62  -3.430   2.708   2.708
  496    H    GLN  63           HN       GLN  63  -2.080   4.253   4.253
  497    HA   GLN  63           HA       GLN  63  -1.039   1.705   1.705
  498   1HB   GLN  63           HB2      GLN  63  -1.030   4.542   4.542
  499   2HB   GLN  63           HB1      GLN  63  -0.123   3.273   3.273
  500   1HG   GLN  63           HG2      GLN  63   0.352   3.432   3.432
  501   2HG   GLN  63           HG1      GLN  63   0.770   4.841   4.841
  502   1HE2  GLN  63          HE22      GLN  63   2.642   1.657   1.657
  503   2HE2  GLN  63          HE21      GLN  63   0.941   1.707   1.707
  504    H    THR  64           HN       THR  64  -3.555   4.011   4.011
  505    HA   THR  64           HA       THR  64  -5.095   3.859   3.859
  506    HB   THR  64           HB       THR  64  -4.718   0.977   0.977
  507    HG1  THR  64           HG1      THR  64  -6.843   2.746   2.746
  508   1HG2  THR  64          HG23      THR  64  -6.171   2.085   2.085
  509   2HG2  THR  64          HG22      THR  64  -7.316   1.431   1.431
  510   3HG2  THR  64          HG21      THR  64  -6.052   0.399   0.399
  511    H    HIS  65           HN       HIS  65  -2.662   4.329   4.329
  512    HA   HIS  65           HA       HIS  65  -1.363   2.398   2.398
  513   1HB   HIS  65           HB2      HIS  65  -1.323   5.217   5.217
  514   2HB   HIS  65           HB1      HIS  65  -0.811   4.923   4.923
  515    HD1  HIS  65           HD1      HIS  65   0.362   5.565   5.565
  516    HD2  HIS  65           HD2      HIS  65   1.236   2.419   2.419
  517    HE1  HIS  65           HE1      HIS  65   2.545   4.567   4.567
  518    H    GLN  66           HN       GLN  66  -1.131   2.953   2.953
  519    HA   GLN  66           HA       GLN  66  -3.857   3.385   3.385
  520   1HB   GLN  66           HB2      GLN  66  -1.672   1.451   1.451
  521   2HB   GLN  66           HB1      GLN  66  -3.062   1.637   1.637
  522   1HG   GLN  66           HG2      GLN  66  -4.217   0.221   0.221
  523   2HG   GLN  66           HG1      GLN  66  -4.133   1.355   1.355
  524   1HE2  GLN  66          HE22      GLN  66  -1.386  -0.404  -0.404
  525   2HE2  GLN  66          HE21      GLN  66  -2.069   1.135   1.135
  526    H    ASP  67           HN       ASP  67  -0.420   3.232   3.232
  527    HA   ASP  67           HA       ASP  67  -0.863   5.019   5.019
  528   1HB   ASP  67           HB2      ASP  67   0.694   3.194   3.194
  529   2HB   ASP  67           HB1      ASP  67   1.546   3.785   3.785
  530    HA   PRO  68           HA       PRO  68   1.700   8.021   8.021
  531   1HB   PRO  68           HB2      PRO  68   1.827   7.596   7.596
  532   2HB   PRO  68           HB1      PRO  68   3.003   6.965   6.965
  533   1HG   PRO  68           HG2      PRO  68   0.781   5.647   5.647
  534   2HG   PRO  68           HG1      PRO  68   2.301   4.928   4.928
  535   1HD   PRO  68           HD2      PRO  68  -0.057   4.550   4.550
  536   2HD   PRO  68           HD1      PRO  68   1.563   4.302   4.302
  537    H    ILE  69           HN       ILE  69  -1.185   6.747   6.747
  538    HA   ILE  69           HA       ILE  69  -2.062   9.613   9.613
  539    HB   ILE  69           HB       ILE  69  -2.384   9.467   9.467
  540   1HG1  ILE  69          HG12      ILE  69  -4.195   7.945   7.945
  541   2HG1  ILE  69          HG11      ILE  69  -2.846   7.231   7.231
  542   1HG2  ILE  69          HG22      ILE  69  -0.050   8.747   8.747
  543   2HG2  ILE  69          HG21      ILE  69  -0.575   7.062   7.062
  544   3HG2  ILE  69          HG23      ILE  69  -0.734   8.038   8.038
  545   1HD1  ILE  69          HD13      ILE  69  -2.288   6.057   6.057
  546   2HD1  ILE  69          HD12      ILE  69  -4.030   6.203   6.203
  547   3HD1  ILE  69          HD11      ILE  69  -3.383   5.372   5.372
  548    HA   PRO  70           HA       PRO  70  -5.331   6.641   6.641
  549   1HB   PRO  70           HB2      PRO  70  -5.228   7.783   7.783
  550   2HB   PRO  70           HB1      PRO  70  -4.385   6.258   6.258
  551   1HG   PRO  70           HG2      PRO  70  -3.501   9.138   9.138
  552   2HG   PRO  70           HG1      PRO  70  -2.637   7.693   7.693
  553   1HD   PRO  70           HD2      PRO  70  -1.971   8.930   8.930
  554   2HD   PRO  70           HD1      PRO  70  -1.949   7.139   7.139
  555    H    LYS  71           HN       LYS  71  -4.639   9.994   9.994
  556    HA   LYS  71           HA       LYS  71  -6.959  11.203  11.203
  557   1HB   LYS  71           HB2      LYS  71  -6.377  12.989  12.989
  558   2HB   LYS  71           HB1      LYS  71  -5.108  12.572  12.572
  559   1HG   LYS  71           HG2      LYS  71  -4.815  10.807  10.807
  560   2HG   LYS  71           HG1      LYS  71  -5.163  12.409  12.409
  561   1HD   LYS  71           HD2      LYS  71  -2.803  12.121  12.121
  562   2HD   LYS  71           HD1      LYS  71  -3.371  13.395  13.395
  563   1HE   LYS  71           HE2      LYS  71  -3.275  11.824  11.824
  564   2HE   LYS  71           HE1      LYS  71  -2.816  10.507  10.507
  565   1HZ   LYS  71           HZ1      LYS  71  -0.916  11.899  11.899
  566   2HZ   LYS  71           HZ3      LYS  71  -1.311  13.032  13.032
  567   3HZ   LYS  71           HZ2      LYS  71  -0.831  11.462  11.462
  568    H    GLN  72           HN       GLN  72  -6.475   9.627   9.627
  569    HA   GLN  72           HA       GLN  72  -9.380   9.485   9.485
  570   1HB   GLN  72           HB2      GLN  72  -8.784  10.729  10.729
  571   2HB   GLN  72           HB1      GLN  72  -9.387  11.573  11.573
  572   1HG   GLN  72           HG2      GLN  72  -7.578  12.826  12.826
  573   2HG   GLN  72           HG1      GLN  72  -6.787  11.838  11.838
  574   1HE2  GLN  72          HE22      GLN  72  -4.845  10.139  10.139
  575   2HE2  GLN  72          HE21      GLN  72  -5.379  10.030  10.030
  576    HA   PRO  73           HA       PRO  73  -8.486   6.100   6.100
  577   1HB   PRO  73           HB2      PRO  73  -9.594   6.654   6.654
  578   2HB   PRO  73           HB1      PRO  73 -10.570   6.173   6.173
  579   1HG   PRO  73           HG2      PRO  73 -10.058   8.969   8.969
  580   2HG   PRO  73           HG1      PRO  73 -11.582   8.219   8.219
  581   1HD   PRO  73           HD2      PRO  73 -10.278   9.805   9.805
  582   2HD   PRO  73           HD1      PRO  73 -10.987   8.310   8.310
  583    H    SER  74           HN       SER  74  -7.727   9.297   9.297
  584    HA   SER  74           HA       SER  74  -5.763  10.154  10.154
  585   1HB   SER  74           HB2      SER  74  -3.868   8.921   8.921
  586   2HB   SER  74           HB1      SER  74  -4.916   8.154   8.154
  587    HG   SER  74           HG       SER  74  -3.492   7.115   7.115
  588    H    SER  75           HN       SER  75  -5.699   7.083   7.083
  589    HA   SER  75           HA       SER  75  -5.600   8.717   8.717
  590   1HB   SER  75           HB2      SER  75  -4.371   6.872   6.872
  591   2HB   SER  75           HB1      SER  75  -4.163   6.903   6.903
  592    HG   SER  75           HG       SER  75  -4.937   5.008   5.008
  593    H    GLN  76           HN       GLN  76  -8.020   7.175   7.175
  594    HA   GLN  76           HA       GLN  76  -9.595   6.082   6.082
  595   1HB   GLN  76           HB2      GLN  76  -9.985   6.696   6.696
  596   2HB   GLN  76           HB1      GLN  76 -11.317   6.045   6.045
  597   1HG   GLN  76           HG2      GLN  76 -10.490   4.008   4.008
  598   2HG   GLN  76           HG1      GLN  76  -9.403   4.284   4.284
  599   1HE2  GLN  76          HE22      GLN  76  -6.563   4.882   4.882
  600   2HE2  GLN  76          HE21      GLN  76  -7.198   5.214   5.214
  601    HA   PRO  77           HA       PRO  77 -11.933  10.211  10.211
  602   1HB   PRO  77           HB2      PRO  77 -10.605  12.280  12.280
  603   2HB   PRO  77           HB1      PRO  77 -11.595  11.100  11.100
  604   1HG   PRO  77           HG2      PRO  77  -8.645  11.300  11.300
  605   2HG   PRO  77           HG1      PRO  77  -9.637  10.763  10.763
  606   1HD   PRO  77           HD2      PRO  77  -8.307   9.232   9.232
  607   2HD   PRO  77           HD1      PRO  77  -9.441   8.591   8.591
  608    H    ARG  78           HN       ARG  78  -9.046   9.501   9.501
  609    HA   ARG  78           HA       ARG  78  -8.948  11.962  11.962
  610   1HB   ARG  78           HB2      ARG  78  -6.801   9.970   9.970
  611   2HB   ARG  78           HB1      ARG  78  -6.549  11.546  11.546
  612   1HG   ARG  78           HG2      ARG  78  -7.380  12.617  12.617
  613   2HG   ARG  78           HG1      ARG  78  -7.322  11.006  11.006
  614   1HD   ARG  78           HD2      ARG  78  -4.931  10.834  10.834
  615   2HD   ARG  78           HD1      ARG  78  -4.925  12.381  12.381
  616    HE   ARG  78           HE       ARG  78  -6.149  12.819  12.819
  617   1HH1  ARG  78          HH11      ARG  78  -3.753  14.306  14.306
  618   2HH1  ARG  78          HH12      ARG  78  -2.538  13.972  13.972
  619   1HH2  ARG  78          HH21      ARG  78  -4.304  11.356  11.356
  620   2HH2  ARG  78          HH22      ARG  78  -2.852  12.296  12.296
  621    H    GLY  79           HN       GLY  79  -8.385   8.435   8.435
  622   1HA   GLY  79           HA2      GLY  79  -9.434   7.099   7.099
  623   2HA   GLY  79           HA1      GLY  79  -9.479   8.139   8.139
  624    H    ASP  80           HN       ASP  80  -7.174   6.857   6.857
  625    HA   ASP  80           HA       ASP  80  -5.217   5.933   5.933
  626   1HB   ASP  80           HB2      ASP  80  -5.601   5.900   5.900
  627   2HB   ASP  80           HB1      ASP  80  -4.240   5.019   5.019
  628    HA   PRO  81           HA       PRO  81  -6.550   1.724   1.724
  629   1HB   PRO  81           HB2      PRO  81  -4.449   0.140   0.140
  630   2HB   PRO  81           HB1      PRO  81  -4.475   1.029   1.029
  631   1HG   PRO  81           HG2      PRO  81  -3.185   1.786   1.786
  632   2HG   PRO  81           HG1      PRO  81  -2.537   1.874   1.874
  633   1HD   PRO  81           HD2      PRO  81  -3.405   4.017   4.017
  634   2HD   PRO  81           HD1      PRO  81  -3.699   3.799   3.799
  635    H    THR  82           HN       THR  82  -8.041   2.319   2.319
  636    HA   THR  82           HA       THR  82  -7.467   0.569   0.569
  637    HB   THR  82           HB       THR  82  -8.505   2.295   2.295
  638    HG1  THR  82           HG1      THR  82  -9.879   3.393   3.393
  639   1HG2  THR  82          HG22      THR  82  -6.009   2.411   2.411
  640   2HG2  THR  82          HG21      THR  82  -6.654   4.032   4.032
  641   3HG2  THR  82          HG23      THR  82  -6.539   3.373   3.373
  642    H    GLY  83           HN       GLY  83 -10.129   1.405   1.405
  643   1HA   GLY  83           HA2      GLY  83 -11.857  -0.365  -0.365
  644   2HA   GLY  83           HA1      GLY  83 -12.078  -0.036  -0.036
  645    HA   PRO  84           HA       PRO  84 -14.448   3.534   3.534
  646   1HB   PRO  84           HB2      PRO  84 -14.134   5.100   5.100
  647   2HB   PRO  84           HB1      PRO  84 -15.019   3.572   3.572
  648   1HG   PRO  84           HG2      PRO  84 -12.316   4.239   4.239
  649   2HG   PRO  84           HG1      PRO  84 -13.426   3.053   3.053
  650   1HD   PRO  84           HD2      PRO  84 -11.199   2.615   2.615
  651   2HD   PRO  84           HD1      PRO  84 -12.493   1.453   1.453
  652    H    LYS  85           HN       LYS  85 -12.189   3.597   3.597
  653    HA   LYS  85           HA       LYS  85 -10.436   5.851   5.851
  654   1HB   LYS  85           HB2      LYS  85  -9.733   5.239   5.239
  655   2HB   LYS  85           HB1      LYS  85  -9.308   4.255   4.255
  656   1HG   LYS  85           HG2      LYS  85 -10.845   2.630   2.630
  657   2HG   LYS  85           HG1      LYS  85 -11.906   3.706   3.706
  658   1HD   LYS  85           HD2      LYS  85  -9.617   3.854   3.854
  659   2HD   LYS  85           HD1      LYS  85  -9.547   2.190   2.190
  660   1HE   LYS  85           HE2      LYS  85 -11.842   1.804   1.804
  661   2HE   LYS  85           HE1      LYS  85 -11.907   3.484   3.484
  662   1HZ   LYS  85           HZ3      LYS  85  -9.818   1.490   1.490
  663   2HZ   LYS  85           HZ2      LYS  85 -11.145   1.906   1.906
  664   3HZ   LYS  85           HZ1      LYS  85  -9.966   3.069   3.069
  665    H    GLU  86           HN       GLU  86 -12.756   6.913   6.913
  666    HA   GLU  86           HA       GLU  86 -13.715   8.044   8.044
  667   1HB   GLU  86           HB2      GLU  86 -15.321   9.185   9.185
  668   2HB   GLU  86           HB1      GLU  86 -15.320   7.402   7.402
  669   1HG   GLU  86           HG2      GLU  86 -14.400   7.110   7.110
  670   2HG   GLU  86           HG1      GLU  86 -13.392   8.497   8.497

  Start of MODEL    9
    1   1H    LEU   1           HT1      LEU   1  15.149  -9.993  -9.993
    2   2H    LEU   1           HT3      LEU   1  13.792 -11.011 -11.011
    3   3H    LEU   1           HT2      LEU   1  14.271 -10.181 -10.181
    4    HA   LEU   1           HA       LEU   1  12.415  -8.995  -8.995
    5   1HB   LEU   1           HB2      LEU   1  12.292  -8.409  -8.409
    6   2HB   LEU   1           HB1      LEU   1  12.545 -10.152 -10.152
    7    HG   LEU   1           HG       LEU   1  15.133  -9.061  -9.061
    8   1HD1  LEU   1          HD12      LEU   1  13.404  -7.196  -7.196
    9   2HD1  LEU   1          HD11      LEU   1  14.364  -7.990  -7.990
   10   3HD1  LEU   1          HD13      LEU   1  15.164  -7.185  -7.185
   11   1HD2  LEU   1          HD23      LEU   1  13.563 -10.949 -10.949
   12   2HD2  LEU   1          HD22      LEU   1  15.319 -10.794 -10.794
   13   3HD2  LEU   1          HD21      LEU   1  14.390  -9.943  -9.943
   14    H    ASP   2           HN       ASP   2  12.408  -6.606  -6.606
   15    HA   ASP   2           HA       ASP   2  13.205  -4.432  -4.432
   16   1HB   ASP   2           HB2      ASP   2  14.581  -5.608  -5.608
   17   2HB   ASP   2           HB1      ASP   2  15.907  -5.271  -5.271
   18    HA   PRO   3           HA       PRO   3  15.635  -5.656  -5.656
   19   1HB   PRO   3           HB2      PRO   3  13.618  -5.888  -5.888
   20   2HB   PRO   3           HB1      PRO   3  14.144  -7.223  -7.223
   21   1HG   PRO   3           HG2      PRO   3  11.689  -5.629  -5.629
   22   2HG   PRO   3           HG1      PRO   3  12.026  -7.238  -7.238
   23   1HD   PRO   3           HD2      PRO   3  12.140  -4.622  -4.622
   24   2HD   PRO   3           HD1      PRO   3  12.181  -6.189  -6.189
   25    H    VAL   4           HN       VAL   4  12.778  -4.097  -4.097
   26    HA   VAL   4           HA       VAL   4  14.260  -1.722  -1.722
   27    HB   VAL   4           HB       VAL   4  11.379  -2.690  -2.690
   28   1HG1  VAL   4          HG13      VAL   4  12.457   0.002   0.002
   29   2HG1  VAL   4          HG12      VAL   4  11.003  -0.705  -0.705
   30   3HG1  VAL   4          HG11      VAL   4  11.050  -0.311  -0.311
   31   1HG2  VAL   4          HG21      VAL   4  13.426  -2.153  -2.153
   32   2HG2  VAL   4          HG23      VAL   4  12.854  -3.725  -3.725
   33   3HG2  VAL   4          HG22      VAL   4  11.756  -2.638  -2.638
   34    H    ASP   5           HN       ASP   5  11.445  -2.233  -2.233
   35    HA   ASP   5           HA       ASP   5  12.506  -0.435  -0.435
   36   1HB   ASP   5           HB2      ASP   5  10.162   0.115   0.115
   37   2HB   ASP   5           HB1      ASP   5  10.082   0.703   0.703
   38    HA   PRO   6           HA       PRO   6   9.284  -3.353  -3.353
   39   1HB   PRO   6           HB2      PRO   6   6.890  -3.731  -3.731
   40   2HB   PRO   6           HB1      PRO   6   7.229  -2.300  -2.300
   41   1HG   PRO   6           HG2      PRO   6   6.932  -2.508  -2.508
   42   2HG   PRO   6           HG1      PRO   6   6.905  -1.062  -1.062
   43   1HD   PRO   6           HD2      PRO   6   9.021  -2.193  -2.193
   44   2HD   PRO   6           HD1      PRO   6   8.816  -0.593  -0.593
   45    H    ASN   7           HN       ASN   7   7.930  -5.649  -5.649
   46    HA   ASN   7           HA       ASN   7   9.925  -7.069  -7.069
   47   1HB   ASN   7           HB2      ASN   7   7.257  -7.729  -7.729
   48   2HB   ASN   7           HB1      ASN   7   8.124  -8.912  -8.912
   49   1HD2  ASN   7          HD22      ASN   7   9.664  -7.888  -7.888
   50   2HD2  ASN   7          HD21      ASN   7   8.455  -6.915  -6.915
   51    H    ILE   8           HN       ILE   8   6.486  -6.245  -6.245
   52    HA   ILE   8           HA       ILE   8   7.099  -6.426  -6.426
   53    HB   ILE   8           HB       ILE   8   5.088  -7.690  -7.690
   54   1HG1  ILE   8          HG12      ILE   8   3.696  -6.472  -6.472
   55   2HG1  ILE   8          HG11      ILE   8   3.447  -8.198  -8.198
   56   1HG2  ILE   8          HG21      ILE   8   6.688  -8.735  -8.735
   57   2HG2  ILE   8          HG23      ILE   8   5.460  -9.698  -9.698
   58   3HG2  ILE   8          HG22      ILE   8   6.875  -9.131  -9.131
   59   1HD1  ILE   8          HD11      ILE   8   5.393  -8.177  -8.177
   60   2HD1  ILE   8          HD13      ILE   8   4.708  -6.580  -6.580
   61   3HD1  ILE   8          HD12      ILE   8   3.688  -8.014  -8.014
   62    H    GLU   9           HN       GLU   9   6.355  -4.277  -4.277
   63    HA   GLU   9           HA       GLU   9   5.159  -2.239  -2.239
   64   1HB   GLU   9           HB2      GLU   9   5.365  -2.722  -2.722
   65   2HB   GLU   9           HB1      GLU   9   4.961  -1.189  -1.189
   66   1HG   GLU   9           HG2      GLU   9   7.033  -0.999  -0.999
   67   2HG   GLU   9           HG1      GLU   9   7.521  -2.657  -2.657
   68    HA   PRO  10           HA       PRO  10   1.136  -4.389  -4.389
   69   1HB   PRO  10           HB2      PRO  10   0.430  -4.991  -4.991
   70   2HB   PRO  10           HB1      PRO  10   1.334  -6.186  -6.186
   71   1HG   PRO  10           HG2      PRO  10   2.102  -4.401  -4.401
   72   2HG   PRO  10           HG1      PRO  10   2.896  -5.981  -5.981
   73   1HD   PRO  10           HD2      PRO  10   3.818  -3.358  -3.358
   74   2HD   PRO  10           HD1      PRO  10   4.421  -4.804  -4.804
   75    H    TRP  11           HN       TRP  11   1.585  -1.585  -1.585
   76    HA   TRP  11           HA       TRP  11  -0.560  -0.842  -0.842
   77   1HB   TRP  11           HB2      TRP  11   1.720   0.690   0.690
   78   2HB   TRP  11           HB1      TRP  11   0.497   1.416   1.416
   79    HD1  TRP  11           HD1      TRP  11   3.351  -1.143  -1.143
   80    HE1  TRP  11           HE1      TRP  11   4.161  -1.364  -1.364
   81    HE3  TRP  11           HE3      TRP  11  -0.119   1.767   1.767
   82    HZ2  TRP  11           HZ2      TRP  11   3.427  -0.421  -0.421
   83    HZ3  TRP  11           HZ3      TRP  11  -0.034   2.084   2.084
   84    HH2  TRP  11           HH2      TRP  11   1.727   0.998   0.998
   85    H    ASN  12           HN       ASN  12  -0.800  -1.931  -1.931
   86    HA   ASN  12           HA       ASN  12  -2.167   0.379   0.379
   87   1HB   ASN  12           HB2      ASN  12  -1.893  -1.276  -1.276
   88   2HB   ASN  12           HB1      ASN  12  -0.508  -0.368  -0.368
   89   1HD2  ASN  12          HD22      ASN  12   1.175  -3.203  -3.203
   90   2HD2  ASN  12          HD21      ASN  12   1.027  -1.513  -1.513
   91    H    HIS  13           HN       HIS  13  -4.318   0.332   0.332
   92    HA   HIS  13           HA       HIS  13  -5.708  -2.310  -2.310
   93   1HB   HIS  13           HB2      HIS  13  -6.027   0.406   0.406
   94   2HB   HIS  13           HB1      HIS  13  -7.400  -0.725  -0.725
   95    HD1  HIS  13           HD1      HIS  13  -6.158   0.092   0.092
   96    HD2  HIS  13           HD2      HIS  13  -4.847  -3.212  -3.212
   97    HE1  HIS  13           HE1      HIS  13  -5.008  -1.444  -1.444
   98    HA   PRO  14           HA       PRO  14  -7.501  -0.895  -0.895
   99   1HB   PRO  14           HB2      PRO  14  -9.055  -3.220  -3.220
  100   2HB   PRO  14           HB1      PRO  14  -7.382  -3.065  -3.065
  101   1HG   PRO  14           HG2      PRO  14  -8.670  -4.153  -4.153
  102   2HG   PRO  14           HG1      PRO  14  -7.341  -4.853  -4.853
  103   1HD   PRO  14           HD2      PRO  14  -6.831  -3.598  -3.598
  104   2HD   PRO  14           HD1      PRO  14  -5.736  -3.440  -3.440
  105    H    GLY  15           HN       GLY  15  -9.140  -1.985  -1.985
  106   1HA   GLY  15           HA2      GLY  15 -11.060  -0.981  -0.981
  107   2HA   GLY  15           HA1      GLY  15 -11.347  -0.123  -0.123
  108    H    SER  16           HN       SER  16 -10.717  -3.137  -3.137
  109    HA   SER  16           HA       SER  16 -13.563  -4.045  -4.045
  110   1HB   SER  16           HB2      SER  16 -11.607  -3.601  -3.601
  111   2HB   SER  16           HB1      SER  16 -12.346  -5.200  -5.200
  112    HG   SER  16           HG       SER  16 -14.308  -4.301  -4.301
  113    H    GLN  17           HN       GLN  17 -10.822  -4.698  -4.698
  114    HA   GLN  17           HA       GLN  17 -11.309  -7.617  -7.617
  115   1HB   GLN  17           HB2      GLN  17  -8.661  -6.301  -6.301
  116   2HB   GLN  17           HB1      GLN  17  -8.864  -7.920  -7.920
  117   1HG   GLN  17           HG2      GLN  17  -9.479  -8.847  -8.847
  118   2HG   GLN  17           HG1      GLN  17 -10.697  -7.653  -7.653
  119   1HE2  GLN  17          HE22      GLN  17  -8.567  -5.826  -5.826
  120   2HE2  GLN  17          HE21      GLN  17 -10.030  -5.784  -5.784
  121    HA   PRO  18           HA       PRO  18  -8.793  -6.492  -6.492
  122   1HB   PRO  18           HB2      PRO  18  -7.802  -3.931  -3.931
  123   2HB   PRO  18           HB1      PRO  18  -6.882  -5.291  -5.291
  124   1HG   PRO  18           HG2      PRO  18  -8.543  -3.206  -3.206
  125   2HG   PRO  18           HG1      PRO  18  -6.876  -3.702  -3.702
  126   1HD   PRO  18           HD2      PRO  18  -8.953  -4.584  -4.584
  127   2HD   PRO  18           HD1      PRO  18  -7.629  -5.710  -5.710
  128    H    LYS  19           HN       LYS  19 -10.978  -4.350  -4.350
  129    HA   LYS  19           HA       LYS  19 -12.124  -3.403  -3.403
  130   1HB   LYS  19           HB2      LYS  19 -12.641  -2.430  -2.430
  131   2HB   LYS  19           HB1      LYS  19 -12.965  -1.538  -1.538
  132   1HG   LYS  19           HG2      LYS  19 -10.284  -2.320  -2.320
  133   2HG   LYS  19           HG1      LYS  19 -10.856  -0.645  -0.645
  134   1HD   LYS  19           HD2      LYS  19 -10.246  -2.371  -2.371
  135   2HD   LYS  19           HD1      LYS  19  -9.297  -1.018  -1.018
  136   1HE   LYS  19           HE2      LYS  19 -12.238  -0.683  -0.683
  137   2HE   LYS  19           HE1      LYS  19 -10.928  -0.526  -0.526
  138   1HZ   LYS  19           HZ1      LYS  19  -9.829   1.038   1.038
  139   2HZ   LYS  19           HZ3      LYS  19 -11.193   0.980   0.980
  140   3HZ   LYS  19           HZ2      LYS  19 -11.326   1.612   1.612
  141    H    THR  20           HN       THR  20 -12.694  -5.621  -5.621
  142    HA   THR  20           HA       THR  20 -15.411  -6.073  -6.073
  143    HB   THR  20           HB       THR  20 -15.652  -4.305  -4.305
  144    HG1  THR  20           HG1      THR  20 -17.400  -5.221  -5.221
  145   1HG2  THR  20          HG23      THR  20 -13.611  -5.032  -5.032
  146   2HG2  THR  20          HG22      THR  20 -14.623  -6.283  -6.283
  147   3HG2  THR  20          HG21      THR  20 -15.015  -4.582  -4.582
  148    H    ALA  21           HN       ALA  21 -12.978  -7.168  -7.168
  149    HA   ALA  21           HA       ALA  21 -14.251  -9.851  -9.851
  150   1HB   ALA  21           HB3      ALA  21 -13.334  -8.477  -8.477
  151   2HB   ALA  21           HB2      ALA  21 -11.761  -9.076  -9.076
  152   3HB   ALA  21           HB1      ALA  21 -13.024 -10.210 -10.210
  153    H    CYS  22           HN       CYS  22 -12.443  -8.535  -8.535
  154    HA   CYS  22           HA       CYS  22 -11.325 -10.884 -10.884
  155   1HB   CYS  22           HB2      CYS  22  -9.786 -10.616 -10.616
  156   2HB   CYS  22           HB1      CYS  22  -9.367  -9.068  -9.068
  157    HG   CYS  22           HG       CYS  22  -7.631 -10.526 -10.526
  158    H    ASN  23           HN       ASN  23 -12.775  -9.064  -9.064
  159    HA   ASN  23           HA       ASN  23 -11.355  -6.784  -6.784
  160   1HB   ASN  23           HB2      ASN  23 -13.974  -7.558  -7.558
  161   2HB   ASN  23           HB1      ASN  23 -13.741  -7.796  -7.796
  162   1HD2  ASN  23          HD22      ASN  23 -12.809  -3.995  -3.995
  163   2HD2  ASN  23          HD21      ASN  23 -12.091  -5.339  -5.339
  164    H    ARG  24           HN       ARG  24 -11.979  -6.674  -6.674
  165    HA   ARG  24           HA       ARG  24 -11.213  -8.859  -8.859
  166   1HB   ARG  24           HB2      ARG  24  -8.807  -7.930  -7.930
  167   2HB   ARG  24           HB1      ARG  24  -9.170  -8.718  -8.718
  168   1HG   ARG  24           HG2      ARG  24  -9.739  -6.138  -6.138
  169   2HG   ARG  24           HG1      ARG  24  -8.376  -6.003  -6.003
  170   1HD   ARG  24           HD2      ARG  24  -7.284  -7.888  -7.888
  171   2HD   ARG  24           HD1      ARG  24  -8.520  -7.568  -7.568
  172    HE   ARG  24           HE       ARG  24  -7.445  -5.076  -5.076
  173   1HH1  ARG  24          HH11      ARG  24  -5.518  -7.642  -7.642
  174   2HH1  ARG  24          HH12      ARG  24  -4.848  -6.895  -6.895
  175   1HH2  ARG  24          HH21      ARG  24  -7.028  -4.193  -4.193
  176   2HH2  ARG  24          HH22      ARG  24  -5.701  -4.941  -4.941
  177    H    CYS  25           HN       CYS  25  -9.798  -5.633  -5.633
  178    HA   CYS  25           HA       CYS  25 -10.364  -3.804  -3.804
  179   1HB   CYS  25           HB2      CYS  25 -12.834  -5.059  -5.059
  180   2HB   CYS  25           HB1      CYS  25 -12.986  -4.405  -4.405
  181    HG   CYS  25           HG       CYS  25 -12.431  -2.828  -2.828
  182    H    HIS  26           HN       HIS  26  -8.968  -5.865  -5.865
  183    HA   HIS  26           HA       HIS  26  -9.553  -5.393  -5.393
  184   1HB   HIS  26           HB2      HIS  26  -9.810  -8.008  -8.008
  185   2HB   HIS  26           HB1      HIS  26 -11.120  -6.904  -6.904
  186    HD1  HIS  26           HD1      HIS  26 -12.164  -9.383  -9.383
  187    HD2  HIS  26           HD2      HIS  26  -9.201  -7.710  -7.710
  188    HE1  HIS  26           HE1      HIS  26 -12.319 -10.536 -10.536
  189    H    CYS  27           HN       CYS  27  -7.976  -8.075  -8.075
  190    HA   CYS  27           HA       CYS  27  -5.596  -8.052  -8.052
  191   1HB   CYS  27           HB2      CYS  27  -4.974  -9.828  -9.828
  192   2HB   CYS  27           HB1      CYS  27  -6.780  -9.706  -9.706
  193    HG   CYS  27           HG       CYS  27  -6.313  -9.643  -9.643
  194    H    LYS  28           HN       LYS  28  -6.697  -6.001  -6.001
  195    HA   LYS  28           HA       LYS  28  -4.194  -5.168  -5.168
  196   1HB   LYS  28           HB2      LYS  28  -6.883  -4.084  -4.084
  197   2HB   LYS  28           HB1      LYS  28  -5.789  -3.200  -3.200
  198   1HG   LYS  28           HG2      LYS  28  -6.943  -5.980  -5.980
  199   2HG   LYS  28           HG1      LYS  28  -7.152  -4.597  -4.597
  200   1HD   LYS  28           HD2      LYS  28  -5.405  -5.347  -5.347
  201   2HD   LYS  28           HD1      LYS  28  -4.385  -4.872  -4.872
  202   1HE   LYS  28           HE2      LYS  28  -4.693  -7.044  -7.044
  203   2HE   LYS  28           HE1      LYS  28  -5.725  -7.581  -7.581
  204   1HZ   LYS  28           HZ2      LYS  28  -3.792  -6.975  -6.975
  205   2HZ   LYS  28           HZ1      LYS  28  -2.862  -6.671  -6.671
  206   3HZ   LYS  28           HZ3      LYS  28  -3.408  -8.242  -8.242
  207    H    LYS  29           HN       LYS  29  -5.901  -4.292  -4.292
  208    HA   LYS  29           HA       LYS  29  -3.689  -2.547  -2.547
  209   1HB   LYS  29           HB2      LYS  29  -5.025  -0.553  -0.553
  210   2HB   LYS  29           HB1      LYS  29  -5.313  -1.245  -1.245
  211   1HG   LYS  29           HG2      LYS  29  -7.118  -1.639  -1.639
  212   2HG   LYS  29           HG1      LYS  29  -7.405  -0.494  -0.494
  213   1HD   LYS  29           HD2      LYS  29  -7.186  -2.631  -2.631
  214   2HD   LYS  29           HD1      LYS  29  -7.540  -3.506  -3.506
  215   1HE   LYS  29           HE2      LYS  29  -9.315  -1.368  -1.368
  216   2HE   LYS  29           HE1      LYS  29  -9.572  -3.147  -3.147
  217   1HZ   LYS  29           HZ1      LYS  29  -9.314  -3.087  -3.087
  218   2HZ   LYS  29           HZ3      LYS  29  -9.406  -1.393  -1.393
  219   3HZ   LYS  29           HZ2      LYS  29 -10.723  -2.331  -2.331
  220    H    CYS  30           HN       CYS  30  -5.059  -5.056  -5.056
  221    HA   CYS  30           HA       CYS  30  -6.812  -4.638  -4.638
  222   1HB   CYS  30           HB2      CYS  30  -6.044  -6.950  -6.950
  223   2HB   CYS  30           HB1      CYS  30  -6.407  -6.742  -6.742
  224    HG   CYS  30           HG       CYS  30  -4.049  -7.989  -7.989
  225    H    CYS  31           HN       CYS  31  -3.225  -4.985  -4.985
  226    HA   CYS  31           HA       CYS  31  -2.800  -3.002  -3.002
  227   1HB   CYS  31           HB2      CYS  31  -4.064  -5.369  -5.369
  228   2HB   CYS  31           HB1      CYS  31  -2.420  -5.413  -5.413
  229    HG   CYS  31           HG       CYS  31  -4.388  -3.726  -3.726
  230    H    TYR  32           HN       TYR  32  -1.156  -3.234  -3.234
  231    HA   TYR  32           HA       TYR  32   1.303  -4.411  -4.411
  232   1HB   TYR  32           HB2      TYR  32   1.653  -5.920  -5.920
  233   2HB   TYR  32           HB1      TYR  32   0.038  -6.212  -6.212
  234    HD1  TYR  32           HD1      TYR  32  -1.774  -4.420  -4.420
  235    HD2  TYR  32           HD2      TYR  32   1.863  -6.004  -6.004
  236    HE1  TYR  32           HE1      TYR  32  -2.645  -4.044  -4.044
  237    HE2  TYR  32           HE2      TYR  32   0.981  -5.628  -5.628
  238    HH   TYR  32           HH       TYR  32  -1.890  -5.380  -5.380
  239    H    HIS  33           HN       HIS  33   0.476  -1.748  -1.748
  240    HA   HIS  33           HA       HIS  33   1.305   0.283   0.283
  241   1HB   HIS  33           HB2      HIS  33   3.493  -1.583  -1.583
  242   2HB   HIS  33           HB1      HIS  33   3.554   0.185   0.185
  243    HD1  HIS  33           HD1      HIS  33   3.913   1.306   1.306
  244    HD2  HIS  33           HD2      HIS  33   3.648  -2.847  -2.847
  245    HE1  HIS  33           HE1      HIS  33   4.650   0.680   0.680
  246    H    CYS  34           HN       CYS  34  -0.066  -2.028  -2.028
  247    HA   CYS  34           HA       CYS  34  -0.905  -2.106  -2.106
  248   1HB   CYS  34           HB2      CYS  34  -0.549   0.848   0.848
  249   2HB   CYS  34           HB1      CYS  34  -1.643   0.108   0.108
  250    HG   CYS  34           HG       CYS  34  -3.143   0.532   0.532
  251    H    GLN  35           HN       GLN  35   1.121  -3.085  -3.085
  252    HA   GLN  35           HA       GLN  35   2.986  -1.201  -1.201
  253   1HB   GLN  35           HB2      GLN  35   3.076  -4.200  -4.200
  254   2HB   GLN  35           HB1      GLN  35   4.385  -3.211  -3.211
  255   1HG   GLN  35           HG2      GLN  35   3.235  -3.068  -3.068
  256   2HG   GLN  35           HG1      GLN  35   4.892  -3.522  -3.522
  257   1HE2  GLN  35          HE22      GLN  35   4.208   0.285   0.285
  258   2HE2  GLN  35          HE21      GLN  35   3.188  -0.992  -0.992
  259    H    VAL  36           HN       VAL  36   0.598  -3.729  -3.729
  260    HA   VAL  36           HA       VAL  36  -0.366  -4.426  -4.426
  261    HB   VAL  36           HB       VAL  36   0.835  -1.857  -1.857
  262   1HG1  VAL  36          HG11      VAL  36  -0.600  -3.751  -3.751
  263   2HG1  VAL  36          HG13      VAL  36  -1.872  -2.654  -2.654
  264   3HG1  VAL  36          HG12      VAL  36  -0.538  -2.045  -2.045
  265   1HG2  VAL  36          HG22      VAL  36  -1.705  -2.177  -2.177
  266   2HG2  VAL  36          HG21      VAL  36  -0.323  -1.152  -1.152
  267   3HG2  VAL  36          HG23      VAL  36  -1.338  -0.777  -0.777
  268    H    CYS  37           HN       CYS  37   1.727  -5.923  -5.923
  269    HA   CYS  37           HA       CYS  37   3.520  -7.096  -7.096
  270   1HB   CYS  37           HB2      CYS  37   1.638  -6.239  -6.239
  271   2HB   CYS  37           HB1      CYS  37   3.137  -7.066  -7.066
  272    HG   CYS  37           HG       CYS  37   1.973  -9.137  -9.137
  273    H    PHE  38           HN       PHE  38   4.665  -4.874  -4.874
  274    HA   PHE  38           HA       PHE  38   5.814  -3.332  -3.332
  275   1HB   PHE  38           HB2      PHE  38   6.596  -1.859  -1.859
  276   2HB   PHE  38           HB1      PHE  38   4.978  -2.392  -2.392
  277    HD1  PHE  38           HD1      PHE  38   6.006  -5.186  -5.186
  278    HD2  PHE  38           HD2      PHE  38   7.423  -1.158  -1.158
  279    HE1  PHE  38           HE1      PHE  38   7.016  -5.806  -5.806
  280    HE2  PHE  38           HE2      PHE  38   8.443  -1.796  -1.796
  281    HZ   PHE  38           HZ       PHE  38   8.228  -4.117  -4.117
  282    H    ILE  39           HN       ILE  39   8.390  -2.987  -2.987
  283    HA   ILE  39           HA       ILE  39  10.043  -4.693  -4.693
  284    HB   ILE  39           HB       ILE  39  11.815  -3.908  -3.908
  285   1HG1  ILE  39          HG12      ILE  39   9.838  -2.094  -2.094
  286   2HG1  ILE  39          HG11      ILE  39   9.854  -3.691  -3.691
  287   1HG2  ILE  39          HG21      ILE  39  10.152  -2.442  -2.442
  288   2HG2  ILE  39          HG23      ILE  39  10.555  -1.381  -1.381
  289   3HG2  ILE  39          HG22      ILE  39  11.839  -2.140  -2.140
  290   1HD1  ILE  39          HD12      ILE  39  12.347  -2.045  -2.045
  291   2HD1  ILE  39          HD11      ILE  39  11.403  -2.040  -2.040
  292   3HD1  ILE  39          HD13      ILE  39  12.185  -3.524  -3.524
  293    H    THR  40           HN       THR  40   8.971  -5.221  -5.221
  294    HA   THR  40           HA       THR  40  10.417  -7.836  -7.836
  295    HB   THR  40           HB       THR  40   9.078  -6.395  -6.395
  296    HG1  THR  40           HG1      THR  40  11.767  -6.319  -6.319
  297   1HG2  THR  40          HG23      THR  40  10.123  -8.974  -8.974
  298   2HG2  THR  40          HG22      THR  40  11.415  -8.043  -8.043
  299   3HG2  THR  40          HG21      THR  40   9.812  -8.089  -8.089
  300    H    LYS  41           HN       LYS  41   9.287  -9.779  -9.779
  301    HA   LYS  41           HA       LYS  41   6.472  -9.788  -9.788
  302   1HB   LYS  41           HB2      LYS  41   8.471 -11.908 -11.908
  303   2HB   LYS  41           HB1      LYS  41   6.815 -12.276 -12.276
  304   1HG   LYS  41           HG2      LYS  41   8.883 -10.738 -10.738
  305   2HG   LYS  41           HG1      LYS  41   8.412 -12.410 -12.410
  306   1HD   LYS  41           HD2      LYS  41   7.025 -11.304 -11.304
  307   2HD   LYS  41           HD1      LYS  41   5.972 -11.320 -11.320
  308   1HE   LYS  41           HE2      LYS  41   7.429  -8.958  -8.958
  309   2HE   LYS  41           HE1      LYS  41   7.291  -9.032  -9.032
  310   1HZ   LYS  41           HZ3      LYS  41   5.055  -9.561  -9.561
  311   2HZ   LYS  41           HZ2      LYS  41   5.430  -7.993  -7.993
  312   3HZ   LYS  41           HZ1      LYS  41   4.961  -9.185  -9.185
  313    H    GLY  42           HN       GLY  42   8.079  -9.489  -9.489
  314   1HA   GLY  42           HA2      GLY  42   6.079 -10.820 -10.820
  315   2HA   GLY  42           HA1      GLY  42   7.325  -9.716  -9.716
  316    H    LEU  43           HN       LEU  43   6.005  -8.015  -8.015
  317    HA   LEU  43           HA       LEU  43   4.420  -6.299  -6.299
  318   1HB   LEU  43           HB2      LEU  43   2.930  -7.751  -7.751
  319   2HB   LEU  43           HB1      LEU  43   2.344  -6.675  -6.675
  320    HG   LEU  43           HG       LEU  43   3.590  -9.359  -9.359
  321   1HD1  LEU  43          HD11      LEU  43   1.158  -8.774  -8.774
  322   2HD1  LEU  43          HD13      LEU  43   0.760  -8.946  -8.946
  323   3HD1  LEU  43          HD12      LEU  43   1.568 -10.261 -10.261
  324   1HD2  LEU  43          HD21      LEU  43   3.874  -7.567  -7.567
  325   2HD2  LEU  43          HD23      LEU  43   2.904  -8.937  -8.937
  326   3HD2  LEU  43          HD22      LEU  43   2.117  -7.430  -7.430
  327    H    GLY  44           HN       GLY  44   6.675  -5.908  -5.908
  328   1HA   GLY  44           HA2      GLY  44   7.440  -4.395  -4.395
  329   2HA   GLY  44           HA1      GLY  44   5.941  -3.522  -3.522
  330    H    ILE  45           HN       ILE  45   5.879  -6.826  -6.826
  331    HA   ILE  45           HA       ILE  45   4.230  -6.078  -6.078
  332    HB   ILE  45           HB       ILE  45   4.740  -8.510  -8.510
  333   1HG1  ILE  45          HG12      ILE  45   5.594  -9.546  -9.546
  334   2HG1  ILE  45          HG11      ILE  45   6.713  -8.194  -8.194
  335   1HG2  ILE  45          HG22      ILE  45   3.495  -7.623  -7.623
  336   2HG2  ILE  45          HG21      ILE  45   3.539  -9.338  -9.338
  337   3HG2  ILE  45          HG23      ILE  45   2.716  -8.196  -8.196
  338   1HD1  ILE  45          HD12      ILE  45   6.717  -9.296  -9.296
  339   2HD1  ILE  45          HD11      ILE  45   6.205 -10.714 -10.714
  340   3HD1  ILE  45          HD13      ILE  45   7.738  -9.929  -9.929
  341    H    SER  46           HN       SER  46   7.604  -7.375  -7.375
  342    HA   SER  46           HA       SER  46   8.514  -5.507  -5.507
  343   1HB   SER  46           HB2      SER  46   6.833  -7.214  -7.214
  344   2HB   SER  46           HB1      SER  46   8.198  -8.307  -8.307
  345    HG   SER  46           HG       SER  46   7.951  -5.890  -5.890
  346    H    TYR  47           HN       TYR  47   9.447  -6.947  -6.947
  347    HA   TYR  47           HA       TYR  47  11.652  -8.680  -8.680
  348   1HB   TYR  47           HB2      TYR  47  12.134  -8.704  -8.704
  349   2HB   TYR  47           HB1      TYR  47  10.392  -8.824  -8.824
  350    HD1  TYR  47           HD1      TYR  47  13.095  -6.358  -6.358
  351    HD2  TYR  47           HD2      TYR  47   8.907  -7.278  -7.278
  352    HE1  TYR  47           HE1      TYR  47  12.707  -4.359  -4.359
  353    HE2  TYR  47           HE2      TYR  47   8.517  -5.290  -5.290
  354    HH   TYR  47           HH       TYR  47  10.584  -3.805  -3.805
  355    H    GLY  48           HN       GLY  48  11.227  -5.280  -5.280
  356   1HA   GLY  48           HA2      GLY  48  12.992  -3.862  -3.862
  357   2HA   GLY  48           HA1      GLY  48  14.197  -4.857  -4.857
  358    H    ARG  49           HN       ARG  49  11.364  -2.797  -2.797
  359    HA   ARG  49           HA       ARG  49  11.997  -2.419  -2.419
  360   1HB   ARG  49           HB2      ARG  49  10.326  -0.873  -0.873
  361   2HB   ARG  49           HB1      ARG  49  10.211  -0.751  -0.751
  362   1HG   ARG  49           HG2      ARG  49   9.435  -3.023  -3.023
  363   2HG   ARG  49           HG1      ARG  49   9.692  -3.269  -3.269
  364   1HD   ARG  49           HD2      ARG  49   7.371  -2.820  -2.820
  365   2HD   ARG  49           HD1      ARG  49   8.059  -1.274  -1.274
  366    HE   ARG  49           HE       ARG  49   7.842  -1.859  -1.859
  367   1HH1  ARG  49          HH21      ARG  49   8.262   0.498   0.498
  368   2HH1  ARG  49          HH22      ARG  49   7.065   1.598   1.598
  369   1HH2  ARG  49          HH11      ARG  49   5.767  -0.647  -0.647
  370   2HH2  ARG  49          HH12      ARG  49   5.651   0.949   0.949
  371    H    LYS  50           HN       LYS  50  12.596  -0.353  -0.353
  372    HA   LYS  50           HA       LYS  50  14.388   1.290   1.290
  373   1HB   LYS  50           HB2      LYS  50  15.724   1.572   1.572
  374   2HB   LYS  50           HB1      LYS  50  15.644  -0.094  -0.094
  375   1HG   LYS  50           HG2      LYS  50  13.554   0.863   0.863
  376   2HG   LYS  50           HG1      LYS  50  15.158   0.544   0.544
  377   1HD   LYS  50           HD2      LYS  50  14.161  -1.597  -1.597
  378   2HD   LYS  50           HD1      LYS  50  13.125  -1.296  -1.296
  379   1HE   LYS  50           HE2      LYS  50  14.675  -2.926  -2.926
  380   2HE   LYS  50           HE1      LYS  50  15.216  -1.453  -1.453
  381   1HZ   LYS  50           HZ1      LYS  50  16.175  -2.328  -2.328
  382   2HZ   LYS  50           HZ3      LYS  50  17.026  -2.655  -2.655
  383   3HZ   LYS  50           HZ2      LYS  50  16.799  -1.048  -1.048
  384    H    LYS  51           HN       LYS  51  11.910   1.200   1.200
  385    HA   LYS  51           HA       LYS  51  10.539   3.533   3.533
  386   1HB   LYS  51           HB2      LYS  51  11.643   4.923   4.923
  387   2HB   LYS  51           HB1      LYS  51  12.368   5.106   5.106
  388   1HG   LYS  51           HG2      LYS  51  14.351   4.231   4.231
  389   2HG   LYS  51           HG1      LYS  51  13.483   2.894   2.894
  390   1HD   LYS  51           HD2      LYS  51  12.706   5.217   5.217
  391   2HD   LYS  51           HD1      LYS  51  14.443   5.340   5.340
  392   1HE   LYS  51           HE2      LYS  51  14.591   2.907   2.907
  393   2HE   LYS  51           HE1      LYS  51  12.906   3.093   3.093
  394   1HZ   LYS  51           HZ1      LYS  51  15.086   5.000   5.000
  395   2HZ   LYS  51           HZ3      LYS  51  14.562   3.749   3.749
  396   3HZ   LYS  51           HZ2      LYS  51  13.491   4.995   4.995
  397    H    ARG  52           HN       ARG  52  10.114   4.617   4.617
  398    HA   ARG  52           HA       ARG  52   9.002   2.346   2.346
  399   1HB   ARG  52           HB2      ARG  52   8.980   5.355   5.355
  400   2HB   ARG  52           HB1      ARG  52   8.230   4.333   4.333
  401   1HG   ARG  52           HG2      ARG  52   6.350   4.255   4.255
  402   2HG   ARG  52           HG1      ARG  52   7.412   3.285   3.285
  403   1HD   ARG  52           HD2      ARG  52   6.377   5.023   5.023
  404   2HD   ARG  52           HD1      ARG  52   8.184   5.013   5.013
  405    HE   ARG  52           HE       ARG  52   8.113   6.904   6.904
  406   1HH1  ARG  52          HH21      ARG  52   6.253   7.429   7.429
  407   2HH1  ARG  52          HH22      ARG  52   4.906   8.205   8.205
  408   1HH2  ARG  52          HH11      ARG  52   5.856   7.276   7.276
  409   2HH2  ARG  52          HH12      ARG  52   4.681   8.117   8.117
  410    H    ARG  53           HN       ARG  53  10.754   1.253   1.253
  411    HA   ARG  53           HA       ARG  53  12.998   2.526   2.526
  412   1HB   ARG  53           HB2      ARG  53  12.566   0.062   0.062
  413   2HB   ARG  53           HB1      ARG  53  11.797  -0.105  -0.105
  414   1HG   ARG  53           HG2      ARG  53  14.460   1.195   1.195
  415   2HG   ARG  53           HG1      ARG  53  14.466  -0.485  -0.485
  416   1HD   ARG  53           HD2      ARG  53  13.503  -1.248  -1.248
  417   2HD   ARG  53           HD1      ARG  53  13.010   0.364   0.364
  418    HE   ARG  53           HE       ARG  53  15.857  -0.599  -0.599
  419   1HH1  ARG  53          HH11      ARG  53  14.776   2.418   2.418
  420   2HH1  ARG  53          HH12      ARG  53  15.274   2.969   2.969
  421   1HH2  ARG  53          HH21      ARG  53  15.957  -0.217  -0.217
  422   2HH2  ARG  53          HH22      ARG  53  15.942   1.475   1.475
  423    H    GLN  54           HN       GLN  54   9.733   2.541   2.541
  424    HA   GLN  54           HA       GLN  54   9.843   2.279   2.279
  425   1HB   GLN  54           HB2      GLN  54   7.876   4.030   4.030
  426   2HB   GLN  54           HB1      GLN  54   7.678   3.003   3.003
  427   1HG   GLN  54           HG2      GLN  54   6.862   1.348   1.348
  428   2HG   GLN  54           HG1      GLN  54   8.463   1.216   1.216
  429   1HE2  GLN  54          HE22      GLN  54   7.071   1.961   1.961
  430   2HE2  GLN  54          HE21      GLN  54   8.016   0.891   0.891
  431    H    ARG  55           HN       ARG  55  10.077   5.063   5.063
  432    HA   ARG  55           HA       ARG  55  10.857   7.257   7.257
  433   1HB   ARG  55           HB2      ARG  55  12.246   5.803   5.803
  434   2HB   ARG  55           HB1      ARG  55  12.607   7.431   7.431
  435   1HG   ARG  55           HG2      ARG  55  13.325   6.689   6.689
  436   2HG   ARG  55           HG1      ARG  55  12.652   5.082   5.082
  437   1HD   ARG  55           HD2      ARG  55  15.057   4.943   4.943
  438   2HD   ARG  55           HD1      ARG  55  14.269   4.780   4.780
  439    HE   ARG  55           HE       ARG  55  14.786   7.565   7.565
  440   1HH1  ARG  55          HH11      ARG  55  15.317   5.579   5.579
  441   2HH1  ARG  55          HH12      ARG  55  16.994   5.935   5.935
  442   1HH2  ARG  55          HH21      ARG  55  17.364   7.625   7.625
  443   2HH2  ARG  55          HH22      ARG  55  18.155   7.097   7.097
  444    H    ARG  56           HN       ARG  56   8.303   6.363   6.363
  445    HA   ARG  56           HA       ARG  56   7.848   8.704   8.704
  446   1HB   ARG  56           HB2      ARG  56   7.432   7.500   7.500
  447   2HB   ARG  56           HB1      ARG  56   9.031   7.037   7.037
  448   1HG   ARG  56           HG2      ARG  56   7.572   5.129   5.129
  449   2HG   ARG  56           HG1      ARG  56   6.495   5.474   5.474
  450   1HD   ARG  56           HD2      ARG  56   8.789   5.335   5.335
  451   2HD   ARG  56           HD1      ARG  56   9.203   4.265   4.265
  452    HE   ARG  56           HE       ARG  56   6.546   3.780   3.780
  453   1HH1  ARG  56          HH21      ARG  56   7.704   1.483   1.483
  454   2HH1  ARG  56          HH22      ARG  56   8.444   0.612   0.612
  455   1HH2  ARG  56          HH11      ARG  56   8.452   3.332   3.332
  456   2HH2  ARG  56          HH12      ARG  56   8.868   1.662   1.662
  457    H    ARG  57           HN       ARG  57   6.684   7.546   7.546
  458    HA   ARG  57           HA       ARG  57   4.268   6.122   6.122
  459   1HB   ARG  57           HB2      ARG  57   5.532   6.700   6.700
  460   2HB   ARG  57           HB1      ARG  57   4.703   8.262   8.262
  461   1HG   ARG  57           HG2      ARG  57   3.336   6.860   6.860
  462   2HG   ARG  57           HG1      ARG  57   2.543   6.876   6.876
  463   1HD   ARG  57           HD2      ARG  57   3.017   4.730   4.730
  464   2HD   ARG  57           HD1      ARG  57   4.581   4.748   4.748
  465    HE   ARG  57           HE       ARG  57   1.920   4.346   4.346
  466   1HH1  ARG  57          HH21      ARG  57   3.290   6.056   6.056
  467   2HH1  ARG  57          HH22      ARG  57   4.273   4.969   4.969
  468   1HH2  ARG  57          HH11      ARG  57   4.064   2.388   2.388
  469   2HH2  ARG  57          HH12      ARG  57   4.711   2.886   2.886
  470    HA   PRO  58           HA       PRO  58   2.120  10.428  10.428
  471   1HB   PRO  58           HB2      PRO  58   3.674  12.520  12.520
  472   2HB   PRO  58           HB1      PRO  58   3.404  12.145  12.145
  473   1HG   PRO  58           HG2      PRO  58   5.730  11.468  11.468
  474   2HG   PRO  58           HG1      PRO  58   5.706  12.041  12.041
  475   1HD   PRO  58           HD2      PRO  58   6.114   9.538   9.538
  476   2HD   PRO  58           HD1      PRO  58   5.385   9.887   9.887
  477    H    SER  59           HN       SER  59   4.642   9.306   9.306
  478    HA   SER  59           HA       SER  59   3.230  10.366  10.366
  479   1HB   SER  59           HB2      SER  59   5.848   8.925   8.925
  480   2HB   SER  59           HB1      SER  59   5.272   9.273   9.273
  481    HG   SER  59           HG       SER  59   6.146  11.019  11.019
  482    H    GLN  60           HN       GLN  60   2.230   8.963   8.963
  483    HA   GLN  60           HA       GLN  60   2.305   6.051   6.051
  484   1HB   GLN  60           HB2      GLN  60  -0.029   5.851   5.851
  485   2HB   GLN  60           HB1      GLN  60   0.525   7.089   7.089
  486   1HG   GLN  60           HG2      GLN  60  -0.779   7.583   7.583
  487   2HG   GLN  60           HG1      GLN  60  -1.637   7.529   7.529
  488   1HE2  GLN  60          HE22      GLN  60   0.357  10.544  10.544
  489   2HE2  GLN  60          HE21      GLN  60   0.354   8.912   8.912
  490    H    GLY  61           HN       GLY  61   0.746   8.607   8.607
  491   1HA   GLY  61           HA2      GLY  61   0.761   8.820   8.820
  492   2HA   GLY  61           HA1      GLY  61   1.437   7.150   7.150
  493    H    GLY  62           HN       GLY  62  -1.379   8.454   8.454
  494   1HA   GLY  62           HA2      GLY  62  -3.609   7.704   7.704
  495   2HA   GLY  62           HA1      GLY  62  -3.357   7.360   7.360
  496    H    GLN  63           HN       GLN  63  -1.318   5.921   5.921
  497    HA   GLN  63           HA       GLN  63  -1.976   3.293   3.293
  498   1HB   GLN  63           HB2      GLN  63   0.295   4.057   4.057
  499   2HB   GLN  63           HB1      GLN  63  -0.358   4.079   4.079
  500   1HG   GLN  63           HG2      GLN  63   0.186   2.008   2.008
  501   2HG   GLN  63           HG1      GLN  63  -1.052   1.631   1.631
  502   1HE2  GLN  63          HE22      GLN  63   1.047   0.681   0.681
  503   2HE2  GLN  63          HE21      GLN  63  -0.553   0.925   0.925
  504    H    THR  64           HN       THR  64  -3.404   5.255   5.255
  505    HA   THR  64           HA       THR  64  -4.935   4.776   4.776
  506    HB   THR  64           HB       THR  64  -4.831   1.933   1.933
  507    HG1  THR  64           HG1      THR  64  -5.966   2.472   2.472
  508   1HG2  THR  64          HG23      THR  64  -6.984   3.645   3.645
  509   2HG2  THR  64          HG22      THR  64  -7.249   2.011   2.011
  510   3HG2  THR  64          HG21      THR  64  -6.154   2.281   2.281
  511    H    HIS  65           HN       HIS  65  -2.336   4.970   4.970
  512    HA   HIS  65           HA       HIS  65  -1.063   2.714   2.714
  513   1HB   HIS  65           HB2      HIS  65  -0.679   5.518   5.518
  514   2HB   HIS  65           HB1      HIS  65   0.147   5.133   5.133
  515    HD1  HIS  65           HD1      HIS  65   2.149   5.769   5.769
  516    HD2  HIS  65           HD2      HIS  65   0.333   2.058   2.058
  517    HE1  HIS  65           HE1      HIS  65   3.678   4.379   4.379
  518    H    GLN  66           HN       GLN  66  -3.836   3.842   3.842
  519    HA   GLN  66           HA       GLN  66  -4.900   3.823   3.823
  520   1HB   GLN  66           HB2      GLN  66  -2.276   2.525   2.525
  521   2HB   GLN  66           HB1      GLN  66  -3.606   2.579   2.579
  522   1HG   GLN  66           HG2      GLN  66  -4.420   0.737   0.737
  523   2HG   GLN  66           HG1      GLN  66  -4.700   1.675   1.675
  524   1HE2  GLN  66          HE22      GLN  66  -1.712   0.503   0.503
  525   2HE2  GLN  66          HE21      GLN  66  -2.842   1.769   1.769
  526    H    ASP  67           HN       ASP  67  -1.507   4.621   4.621
  527    HA   ASP  67           HA       ASP  67  -2.351   6.462   6.462
  528   1HB   ASP  67           HB2      ASP  67  -0.351   5.151   5.151
  529   2HB   ASP  67           HB1      ASP  67   0.255   5.853   5.853
  530    HA   PRO  68           HA       PRO  68  -0.857   9.861   9.861
  531   1HB   PRO  68           HB2      PRO  68  -0.539   9.295   9.295
  532   2HB   PRO  68           HB1      PRO  68   0.766   9.105   9.105
  533   1HG   PRO  68           HG2      PRO  68  -0.997   6.954   6.954
  534   2HG   PRO  68           HG1      PRO  68   0.682   6.839   6.839
  535   1HD   PRO  68           HD2      PRO  68  -1.587   6.053   6.053
  536   2HD   PRO  68           HD1      PRO  68   0.059   6.043   6.043
  537    H    ILE  69           HN       ILE  69  -3.080   7.556   7.556
  538    HA   ILE  69           HA       ILE  69  -4.815   9.912   9.912
  539    HB   ILE  69           HB       ILE  69  -5.134   9.047   9.047
  540   1HG1  ILE  69          HG12      ILE  69  -5.934   6.801   6.801
  541   2HG1  ILE  69          HG11      ILE  69  -4.346   6.575   6.575
  542   1HG2  ILE  69          HG22      ILE  69  -2.640   9.508   9.508
  543   2HG2  ILE  69          HG21      ILE  69  -2.460   7.763   7.763
  544   3HG2  ILE  69          HG23      ILE  69  -3.005   8.760   8.760
  545   1HD1  ILE  69          HD13      ILE  69  -4.604   6.428   6.428
  546   2HD1  ILE  69          HD12      ILE  69  -4.635   5.055   5.055
  547   3HD1  ILE  69          HD11      ILE  69  -3.204   6.086   6.086
  548    HA   PRO  70           HA       PRO  70  -7.143   6.432   6.432
  549   1HB   PRO  70           HB2      PRO  70  -7.408   7.687   7.687
  550   2HB   PRO  70           HB1      PRO  70  -6.137   6.505   6.505
  551   1HG   PRO  70           HG2      PRO  70  -6.114   9.515   9.515
  552   2HG   PRO  70           HG1      PRO  70  -4.874   8.395   8.395
  553   1HD   PRO  70           HD2      PRO  70  -4.631   9.663   9.663
  554   2HD   PRO  70           HD1      PRO  70  -4.023   7.995   7.995
  555    H    LYS  71           HN       LYS  71  -7.336   9.801   9.801
  556    HA   LYS  71           HA       LYS  71 -10.127  10.108  10.108
  557   1HB   LYS  71           HB2      LYS  71  -9.794  12.389  12.389
  558   2HB   LYS  71           HB1      LYS  71  -8.539  11.944  11.944
  559   1HG   LYS  71           HG2      LYS  71  -7.477  11.084  11.084
  560   2HG   LYS  71           HG1      LYS  71  -8.314  12.600  12.600
  561   1HD   LYS  71           HD2      LYS  71  -6.176  13.181  13.181
  562   2HD   LYS  71           HD1      LYS  71  -7.098  13.632  13.632
  563   1HE   LYS  71           HE2      LYS  71  -6.337  11.485  11.485
  564   2HE   LYS  71           HE1      LYS  71  -5.409  11.114  11.114
  565   1HZ   LYS  71           HZ1      LYS  71  -5.117  13.597  13.597
  566   2HZ   LYS  71           HZ3      LYS  71  -4.069  12.266  12.266
  567   3HZ   LYS  71           HZ2      LYS  71  -4.192  13.156  13.156
  568    H    GLN  72           HN       GLN  72  -8.353   9.641   9.641
  569    HA   GLN  72           HA       GLN  72 -10.712   8.595   8.595
  570   1HB   GLN  72           HB2      GLN  72 -10.316  10.689  10.689
  571   2HB   GLN  72           HB1      GLN  72 -11.525  10.690  10.690
  572   1HG   GLN  72           HG2      GLN  72 -10.421  12.702  12.702
  573   2HG   GLN  72           HG1      GLN  72  -9.695  11.816  11.816
  574   1HE2  GLN  72          HE22      GLN  72  -6.526  11.656  11.656
  575   2HE2  GLN  72          HE21      GLN  72  -7.403  10.724  10.724
  576    HA   PRO  73           HA       PRO  73  -7.621   7.047   7.047
  577   1HB   PRO  73           HB2      PRO  73  -8.733   7.281   7.281
  578   2HB   PRO  73           HB1      PRO  73  -9.280   6.085   6.085
  579   1HG   PRO  73           HG2      PRO  73 -10.469   8.753   8.753
  580   2HG   PRO  73           HG1      PRO  73 -11.283   7.193   7.193
  581   1HD   PRO  73           HD2      PRO  73 -11.186   9.085   9.085
  582   2HD   PRO  73           HD1      PRO  73 -11.144   7.362   7.362
  583    H    SER  74           HN       SER  74  -9.142  10.023  10.023
  584    HA   SER  74           HA       SER  74  -8.226  11.974  11.974
  585   1HB   SER  74           HB2      SER  74  -7.213  11.429  11.429
  586   2HB   SER  74           HB1      SER  74  -5.702  11.406  11.406
  587    HG   SER  74           HG       SER  74  -5.792  13.437  13.437
  588    H    SER  75           HN       SER  75  -7.806   9.591   9.591
  589    HA   SER  75           HA       SER  75  -5.977  10.494  10.494
  590   1HB   SER  75           HB2      SER  75  -4.736   9.370   9.370
  591   2HB   SER  75           HB1      SER  75  -4.480   8.251   8.251
  592    HG   SER  75           HG       SER  75  -3.308   9.672   9.672
  593    H    GLN  76           HN       GLN  76  -7.639   7.772   7.772
  594    HA   GLN  76           HA       GLN  76  -7.451   6.091   6.091
  595   1HB   GLN  76           HB2      GLN  76  -8.801   5.697   5.697
  596   2HB   GLN  76           HB1      GLN  76  -8.540   4.504   4.504
  597   1HG   GLN  76           HG2      GLN  76  -6.582   4.002   4.002
  598   2HG   GLN  76           HG1      GLN  76  -5.997   5.467   5.467
  599   1HE2  GLN  76          HE22      GLN  76  -5.774   7.162   7.162
  600   2HE2  GLN  76          HE21      GLN  76  -5.534   7.221   7.221
  601    HA   PRO  77           HA       PRO  77 -12.143   7.165   7.165
  602   1HB   PRO  77           HB2      PRO  77 -12.761   9.722   9.722
  603   2HB   PRO  77           HB1      PRO  77 -12.742   8.362   8.362
  604   1HG   PRO  77           HG2      PRO  77 -10.748  10.485  10.485
  605   2HG   PRO  77           HG1      PRO  77 -11.230   9.674   9.674
  606   1HD   PRO  77           HD2      PRO  77  -9.056   9.232   9.232
  607   2HD   PRO  77           HD1      PRO  77  -9.559   8.182   8.182
  608    H    ARG  78           HN       ARG  78  -9.603   9.446   9.446
  609    HA   ARG  78           HA       ARG  78 -10.999  10.217  10.217
  610   1HB   ARG  78           HB2      ARG  78  -9.886  12.410  12.410
  611   2HB   ARG  78           HB1      ARG  78 -10.830  11.987  11.987
  612   1HG   ARG  78           HG2      ARG  78  -8.694  11.071  11.071
  613   2HG   ARG  78           HG1      ARG  78  -7.845  11.787  11.787
  614   1HD   ARG  78           HD2      ARG  78  -8.717  14.008  14.008
  615   2HD   ARG  78           HD1      ARG  78  -9.616  13.284  13.284
  616    HE   ARG  78           HE       ARG  78  -6.892  12.415  12.415
  617   1HH1  ARG  78          HH11      ARG  78  -6.315  15.250  15.250
  618   2HH1  ARG  78          HH12      ARG  78  -6.359  16.012  16.012
  619   1HH2  ARG  78          HH21      ARG  78  -8.042  13.383  13.383
  620   2HH2  ARG  78          HH22      ARG  78  -7.340  14.950  14.950
  621    H    GLY  79           HN       GLY  79  -7.900   9.389   9.389
  622   1HA   GLY  79           HA2      GLY  79  -6.390   9.595   9.595
  623   2HA   GLY  79           HA1      GLY  79  -5.793   9.082   9.082
  624    H    ASP  80           HN       ASP  80  -5.159   7.013   7.013
  625    HA   ASP  80           HA       ASP  80  -6.026   5.092   5.092
  626   1HB   ASP  80           HB2      ASP  80  -4.329   4.960   4.960
  627   2HB   ASP  80           HB1      ASP  80  -4.573   3.582   3.582
  628    HA   PRO  81           HA       PRO  81  -9.635   4.019   4.019
  629   1HB   PRO  81           HB2      PRO  81 -10.636   2.194   2.194
  630   2HB   PRO  81           HB1      PRO  81 -10.836   3.949   3.949
  631   1HG   PRO  81           HG2      PRO  81  -8.839   2.130   2.130
  632   2HG   PRO  81           HG1      PRO  81  -9.798   3.441   3.441
  633   1HD   PRO  81           HD2      PRO  81  -7.213   3.759   3.759
  634   2HD   PRO  81           HD1      PRO  81  -8.399   5.078   5.078
  635    H    THR  82           HN       THR  82  -8.946   2.775   2.775
  636    HA   THR  82           HA       THR  82  -7.416   0.313   0.313
  637    HB   THR  82           HB       THR  82  -8.625   1.060   1.060
  638    HG1  THR  82           HG1      THR  82  -6.520   2.484   2.484
  639   1HG2  THR  82          HG23      THR  82  -7.045  -0.844  -0.844
  640   2HG2  THR  82          HG22      THR  82  -5.823   0.278   0.278
  641   3HG2  THR  82          HG21      THR  82  -6.403   0.406   0.406
  642    H    GLY  83           HN       GLY  83 -10.628   1.061   1.061
  643   1HA   GLY  83           HA2      GLY  83 -11.701  -1.423  -1.423
  644   2HA   GLY  83           HA1      GLY  83 -11.504  -1.464  -1.464
  645    HA   PRO  84           HA       PRO  84 -15.440   0.675   0.675
  646   1HB   PRO  84           HB2      PRO  84 -15.912   0.565   0.565
  647   2HB   PRO  84           HB1      PRO  84 -15.985  -0.846  -0.846
  648   1HG   PRO  84           HG2      PRO  84 -14.004  -0.184  -0.184
  649   2HG   PRO  84           HG1      PRO  84 -14.261  -1.719  -1.719
  650   1HD   PRO  84           HD2      PRO  84 -12.418   0.481   0.481
  651   2HD   PRO  84           HD1      PRO  84 -12.171  -1.133  -1.133
  652    H    LYS  85           HN       LYS  85 -12.653   2.214   2.214
  653    HA   LYS  85           HA       LYS  85 -13.901   4.445   4.445
  654   1HB   LYS  85           HB2      LYS  85 -11.603   5.300   5.300
  655   2HB   LYS  85           HB1      LYS  85 -11.381   3.580   3.580
  656   1HG   LYS  85           HG2      LYS  85 -11.386   3.712   3.712
  657   2HG   LYS  85           HG1      LYS  85 -10.310   4.910   4.910
  658   1HD   LYS  85           HD2      LYS  85 -10.533   1.949   1.949
  659   2HD   LYS  85           HD1      LYS  85  -9.376   2.656   2.656
  660   1HE   LYS  85           HE2      LYS  85  -8.000   3.263   3.263
  661   2HE   LYS  85           HE1      LYS  85  -9.324   4.138   4.138
  662   1HZ   LYS  85           HZ1      LYS  85 -10.134   1.844   1.844
  663   2HZ   LYS  85           HZ3      LYS  85  -8.645   1.244   1.244
  664   3HZ   LYS  85           HZ2      LYS  85  -8.692   2.344   2.344
  665    H    GLU  86           HN       GLU  86 -13.984   3.635   3.635
  666    HA   GLU  86           HA       GLU  86 -13.175   6.093   6.093
  667   1HB   GLU  86           HB2      GLU  86 -15.008   3.802   3.802
  668   2HB   GLU  86           HB1      GLU  86 -14.451   5.056   5.056
  669   1HG   GLU  86           HG2      GLU  86 -12.122   4.415   4.415
  670   2HG   GLU  86           HG1      GLU  86 -12.735   3.129   3.129

  Start of MODEL   10
    1   1H    LEU   1           HT3      LEU   1  13.459 -12.396 -12.396
    2   2H    LEU   1           HT2      LEU   1  11.883 -13.028 -13.028
    3   3H    LEU   1           HT1      LEU   1  12.576 -12.477 -12.477
    4    HA   LEU   1           HA       LEU   1  11.087 -10.778 -10.778
    5   1HB   LEU   1           HB2      LEU   1  11.105  -9.971  -9.971
    6   2HB   LEU   1           HB1      LEU   1  10.877 -11.725 -11.725
    7    HG   LEU   1           HG       LEU   1  13.706 -10.930 -10.930
    8   1HD1  LEU   1          HD11      LEU   1  11.782 -10.079 -10.079
    9   2HD1  LEU   1          HD13      LEU   1  13.479 -10.412 -10.412
   10   3HD1  LEU   1          HD12      LEU   1  13.044  -9.126  -9.126
   11   1HD2  LEU   1          HD22      LEU   1  11.884 -12.857 -12.857
   12   2HD2  LEU   1          HD21      LEU   1  13.274 -13.199 -13.199
   13   3HD2  LEU   1          HD23      LEU   1  13.517 -12.555 -12.555
   14    H    ASP   2           HN       ASP   2  11.706  -8.423  -8.423
   15    HA   ASP   2           HA       ASP   2  13.026  -6.569  -6.569
   16   1HB   ASP   2           HB2      ASP   2  14.056  -7.962  -7.962
   17   2HB   ASP   2           HB1      ASP   2  15.448  -7.931  -7.931
   18    HA   PRO   3           HA       PRO   3  15.188  -8.673  -8.673
   19   1HB   PRO   3           HB2      PRO   3  13.226  -8.670  -8.670
   20   2HB   PRO   3           HB1      PRO   3  13.454  -9.988  -9.988
   21   1HG   PRO   3           HG2      PRO   3  11.339  -7.951  -7.951
   22   2HG   PRO   3           HG1      PRO   3  11.359  -9.532  -9.532
   23   1HD   PRO   3           HD2      PRO   3  11.860  -6.917  -6.917
   24   2HD   PRO   3           HD1      PRO   3  11.673  -8.457  -8.457
   25    H    VAL   4           HN       VAL   4  12.714  -6.689  -6.689
   26    HA   VAL   4           HA       VAL   4  14.659  -4.738  -4.738
   27    HB   VAL   4           HB       VAL   4  11.649  -5.132  -5.132
   28   1HG1  VAL   4          HG11      VAL   4  13.149  -2.749  -2.749
   29   2HG1  VAL   4          HG13      VAL   4  11.527  -3.221  -3.221
   30   3HG1  VAL   4          HG12      VAL   4  11.818  -2.717  -2.717
   31   1HG2  VAL   4          HG21      VAL   4  13.861  -5.787  -5.787
   32   2HG2  VAL   4          HG23      VAL   4  12.192  -6.356  -6.356
   33   3HG2  VAL   4          HG22      VAL   4  12.625  -4.862  -4.862
   34    H    ASP   5           HN       ASP   5  11.813  -4.568  -4.568
   35    HA   ASP   5           HA       ASP   5  13.172  -2.915  -2.915
   36   1HB   ASP   5           HB2      ASP   5  11.424  -1.803  -1.803
   37   2HB   ASP   5           HB1      ASP   5  10.852  -1.422  -1.422
   38    HA   PRO   6           HA       PRO   6   9.215  -4.766  -4.766
   39   1HB   PRO   6           HB2      PRO   6   6.887  -4.642  -4.642
   40   2HB   PRO   6           HB1      PRO   6   7.523  -3.252  -3.252
   41   1HG   PRO   6           HG2      PRO   6   7.345  -3.624  -3.624
   42   2HG   PRO   6           HG1      PRO   6   7.670  -2.152  -2.152
   43   1HD   PRO   6           HD2      PRO   6   9.452  -3.992  -3.992
   44   2HD   PRO   6           HD1      PRO   6   9.685  -2.301  -2.301
   45    H    ASN   7           HN       ASN   7   7.336  -6.678  -6.678
   46    HA   ASN   7           HA       ASN   7   8.971  -8.717  -8.717
   47   1HB   ASN   7           HB2      ASN   7   6.110  -8.564  -8.564
   48   2HB   ASN   7           HB1      ASN   7   6.803 -10.038 -10.038
   49   1HD2  ASN   7          HD22      ASN   7   7.675  -9.112  -9.112
   50   2HD2  ASN   7          HD21      ASN   7   6.533  -8.228  -8.228
   51    H    ILE   8           HN       ILE   8   5.836  -7.208  -7.208
   52    HA   ILE   8           HA       ILE   8   6.600  -7.608  -7.608
   53    HB   ILE   8           HB       ILE   8   4.495  -8.576  -8.576
   54   1HG1  ILE   8          HG12      ILE   8   3.066  -7.003  -7.003
   55   2HG1  ILE   8          HG11      ILE   8   2.599  -8.674  -8.674
   56   1HG2  ILE   8          HG22      ILE   8   5.359  -9.665  -9.665
   57   2HG2  ILE   8          HG21      ILE   8   4.293 -10.495 -10.495
   58   3HG2  ILE   8          HG23      ILE   8   5.967 -10.164 -10.164
   59   1HD1  ILE   8          HD11      ILE   8   4.141  -8.673  -8.673
   60   2HD1  ILE   8          HD13      ILE   8   4.000  -6.920  -6.920
   61   3HD1  ILE   8          HD12      ILE   8   2.557  -7.910  -7.910
   62    H    GLU   9           HN       GLU   9   6.313  -5.243  -5.243
   63    HA   GLU   9           HA       GLU   9   5.555  -3.004  -3.004
   64   1HB   GLU   9           HB2      GLU   9   5.829  -3.867  -3.867
   65   2HB   GLU   9           HB1      GLU   9   5.240  -2.265  -2.265
   66   1HG   GLU   9           HG2      GLU   9   7.213  -1.685  -1.685
   67   2HG   GLU   9           HG1      GLU   9   7.822  -3.348  -3.348
   68    HA   PRO  10           HA       PRO  10   1.144  -4.304  -4.304
   69   1HB   PRO  10           HB2      PRO  10   0.390  -4.622  -4.622
   70   2HB   PRO  10           HB1      PRO  10   1.030  -5.961  -5.961
   71   1HG   PRO  10           HG2      PRO  10   2.166  -4.304  -4.304
   72   2HG   PRO  10           HG1      PRO  10   2.621  -6.023  -6.023
   73   1HD   PRO  10           HD2      PRO  10   3.978  -3.594  -3.594
   74   2HD   PRO  10           HD1      PRO  10   4.377  -5.172  -5.172
   75    H    TRP  11           HN       TRP  11   2.205  -1.617  -1.617
   76    HA   TRP  11           HA       TRP  11   0.334  -0.333  -0.333
   77   1HB   TRP  11           HB2      TRP  11   2.789   0.670   0.670
   78   2HB   TRP  11           HB1      TRP  11   1.798   1.634   1.634
   79    HD1  TRP  11           HD1      TRP  11   3.905  -1.575  -1.575
   80    HE1  TRP  11           HE1      TRP  11   4.794  -1.754  -1.754
   81    HE3  TRP  11           HE3      TRP  11   1.604   2.472   2.472
   82    HZ2  TRP  11           HZ2      TRP  11   4.553  -0.352  -0.352
   83    HZ3  TRP  11           HZ3      TRP  11   1.954   3.021   3.021
   84    HH2  TRP  11           HH2      TRP  11   3.420   1.620   1.620
   85    H    ASN  12           HN       ASN  12  -0.285  -1.485  -1.485
   86    HA   ASN  12           HA       ASN  12  -1.484   0.982   0.982
   87   1HB   ASN  12           HB2      ASN  12  -1.131  -0.301  -0.301
   88   2HB   ASN  12           HB1      ASN  12   0.311   0.349   0.349
   89   1HD2  ASN  12          HD22      ASN  12   1.594  -2.859  -2.859
   90   2HD2  ASN  12          HD21      ASN  12   1.551  -1.236  -1.236
   91    H    HIS  13           HN       HIS  13  -3.674   0.841   0.841
   92    HA   HIS  13           HA       HIS  13  -4.917  -1.887  -1.887
   93   1HB   HIS  13           HB2      HIS  13  -5.539   0.605   0.605
   94   2HB   HIS  13           HB1      HIS  13  -6.607  -0.805  -0.805
   95    HD1  HIS  13           HD1      HIS  13  -5.896  -2.780  -2.780
   96    HD2  HIS  13           HD2      HIS  13  -2.951   0.158   0.158
   97    HE1  HIS  13           HE1      HIS  13  -4.123  -3.401  -3.401
   98    HA   PRO  14           HA       PRO  14  -6.907   0.067   0.067
   99   1HB   PRO  14           HB2      PRO  14  -8.122  -2.429  -2.429
  100   2HB   PRO  14           HB1      PRO  14  -6.504  -1.883  -1.883
  101   1HG   PRO  14           HG2      PRO  14  -7.561  -3.557  -3.557
  102   2HG   PRO  14           HG1      PRO  14  -6.206  -3.910  -3.910
  103   1HD   PRO  14           HD2      PRO  14  -5.751  -3.052  -3.052
  104   2HD   PRO  14           HD1      PRO  14  -4.739  -2.497  -2.497
  105    H    GLY  15           HN       GLY  15  -8.188  -1.626  -1.626
  106   1HA   GLY  15           HA2      GLY  15 -10.165  -1.314  -1.314
  107   2HA   GLY  15           HA1      GLY  15 -10.655  -0.068  -0.068
  108    H    SER  16           HN       SER  16  -9.569  -3.112  -3.112
  109    HA   SER  16           HA       SER  16 -12.339  -4.175  -4.175
  110   1HB   SER  16           HB2      SER  16 -11.518  -2.724  -2.724
  111   2HB   SER  16           HB1      SER  16 -10.232  -3.923  -3.923
  112    HG   SER  16           HG       SER  16 -12.060  -4.351  -4.351
  113    H    GLN  17           HN       GLN  17  -9.223  -4.771  -4.771
  114    HA   GLN  17           HA       GLN  17  -9.543  -7.694  -7.694
  115   1HB   GLN  17           HB2      GLN  17  -7.180  -5.956  -5.956
  116   2HB   GLN  17           HB1      GLN  17  -7.077  -7.671  -7.671
  117   1HG   GLN  17           HG2      GLN  17  -8.059  -8.511  -8.511
  118   2HG   GLN  17           HG1      GLN  17  -9.143  -7.143  -7.143
  119   1HE2  GLN  17          HE22      GLN  17  -6.759  -5.274  -5.274
  120   2HE2  GLN  17          HE21      GLN  17  -8.052  -5.076  -5.076
  121    HA   PRO  18           HA       PRO  18  -6.731  -7.124  -7.124
  122   1HB   PRO  18           HB2      PRO  18  -5.793  -4.659  -4.659
  123   2HB   PRO  18           HB1      PRO  18  -4.933  -5.760  -5.760
  124   1HG   PRO  18           HG2      PRO  18  -6.728  -3.463  -3.463
  125   2HG   PRO  18           HG1      PRO  18  -5.154  -3.912  -3.912
  126   1HD   PRO  18           HD2      PRO  18  -7.531  -4.392  -4.392
  127   2HD   PRO  18           HD1      PRO  18  -6.131  -5.495  -5.495
  128    H    LYS  19           HN       LYS  19  -9.324  -5.114  -5.114
  129    HA   LYS  19           HA       LYS  19 -10.227  -4.929  -4.929
  130   1HB   LYS  19           HB2      LYS  19 -10.695  -2.829  -2.829
  131   2HB   LYS  19           HB1      LYS  19 -10.865  -2.639  -2.639
  132   1HG   LYS  19           HG2      LYS  19  -8.247  -3.260  -3.260
  133   2HG   LYS  19           HG1      LYS  19  -8.725  -1.578  -1.578
  134   1HD   LYS  19           HD2      LYS  19  -9.198  -2.802  -2.802
  135   2HD   LYS  19           HD1      LYS  19  -7.658  -3.471  -3.471
  136   1HE   LYS  19           HE2      LYS  19  -6.556  -1.521  -1.521
  137   2HE   LYS  19           HE1      LYS  19  -7.857  -0.550  -0.550
  138   1HZ   LYS  19           HZ1      LYS  19  -7.869  -1.812  -1.812
  139   2HZ   LYS  19           HZ3      LYS  19  -7.628  -0.162  -0.162
  140   3HZ   LYS  19           HZ2      LYS  19  -9.128  -0.879  -0.879
  141    H    THR  20           HN       THR  20 -10.785  -6.612  -6.612
  142    HA   THR  20           HA       THR  20 -13.728  -6.593  -6.593
  143    HB   THR  20           HB       THR  20 -12.135  -5.646  -5.646
  144    HG1  THR  20           HG1      THR  20 -12.974  -3.856  -3.856
  145   1HG2  THR  20          HG21      THR  20 -14.685  -7.152  -7.152
  146   2HG2  THR  20          HG23      THR  20 -14.684  -5.673  -5.673
  147   3HG2  THR  20          HG22      THR  20 -13.502  -6.940  -6.940
  148    H    ALA  21           HN       ALA  21 -10.866  -7.850  -7.850
  149    HA   ALA  21           HA       ALA  21 -12.247 -10.194 -10.194
  150   1HB   ALA  21           HB2      ALA  21  -9.335  -9.426  -9.426
  151   2HB   ALA  21           HB1      ALA  21  -9.916 -10.818 -10.818
  152   3HB   ALA  21           HB3      ALA  21 -10.381  -9.191  -9.191
  153    H    CYS  22           HN       CYS  22 -12.672 -10.241 -10.241
  154    HA   CYS  22           HA       CYS  22 -12.313 -11.574 -11.574
  155   1HB   CYS  22           HB2      CYS  22 -12.948 -12.923 -12.923
  156   2HB   CYS  22           HB1      CYS  22 -11.614 -13.917 -13.917
  157    HG   CYS  22           HG       CYS  22 -13.954 -14.650 -14.650
  158    H    ASN  23           HN       ASN  23  -9.979 -10.159 -10.159
  159    HA   ASN  23           HA       ASN  23  -7.634 -11.844 -11.844
  160   1HB   ASN  23           HB2      ASN  23  -6.523  -9.679  -9.679
  161   2HB   ASN  23           HB1      ASN  23  -8.110  -9.482  -9.482
  162   1HD2  ASN  23          HD22      ASN  23  -9.475  -7.281  -7.281
  163   2HD2  ASN  23          HD21      ASN  23  -9.816  -8.336  -8.336
  164    H    ARG  24           HN       ARG  24  -9.269 -10.022 -10.022
  165    HA   ARG  24           HA       ARG  24  -8.066 -11.661 -11.661
  166   1HB   ARG  24           HB2      ARG  24  -6.519 -10.119 -10.119
  167   2HB   ARG  24           HB1      ARG  24  -6.207 -10.062 -10.062
  168   1HG   ARG  24           HG2      ARG  24  -7.980  -8.091  -8.091
  169   2HG   ARG  24           HG1      ARG  24  -7.561  -8.057  -8.057
  170   1HD   ARG  24           HD2      ARG  24  -5.387  -7.442  -7.442
  171   2HD   ARG  24           HD1      ARG  24  -5.350  -8.205  -8.205
  172    HE   ARG  24           HE       ARG  24  -7.179  -6.310  -6.310
  173   1HH1  ARG  24          HH11      ARG  24  -3.864  -6.218  -6.218
  174   2HH1  ARG  24          HH12      ARG  24  -3.745  -4.500  -4.500
  175   1HH2  ARG  24          HH21      ARG  24  -7.181  -4.006  -4.006
  176   2HH2  ARG  24          HH22      ARG  24  -5.623  -3.247  -3.247
  177    H    CYS  25           HN       CYS  25  -8.460 -10.446 -10.446
  178    HA   CYS  25           HA       CYS  25 -10.444  -8.451  -8.451
  179   1HB   CYS  25           HB2      CYS  25 -11.687 -10.415 -10.415
  180   2HB   CYS  25           HB1      CYS  25 -11.344 -11.197 -11.197
  181    HG   CYS  25           HG       CYS  25 -12.852  -9.113  -9.113
  182    H    HIS  26           HN       HIS  26  -8.072  -9.447  -9.447
  183    HA   HIS  26           HA       HIS  26  -9.132  -9.835  -9.835
  184   1HB   HIS  26           HB2      HIS  26  -7.298 -11.992 -11.992
  185   2HB   HIS  26           HB1      HIS  26  -9.043 -12.102 -12.102
  186    HD1  HIS  26           HD1      HIS  26 -10.345 -13.209 -13.209
  187    HD2  HIS  26           HD2      HIS  26  -6.730 -11.686 -11.686
  188    HE1  HIS  26           HE1      HIS  26 -10.176 -13.827 -13.827
  189    H    CYS  27           HN       CYS  27  -6.104 -10.390 -10.390
  190    HA   CYS  27           HA       CYS  27  -4.461  -9.193  -9.193
  191   1HB   CYS  27           HB2      CYS  27  -4.095 -10.568 -10.568
  192   2HB   CYS  27           HB1      CYS  27  -2.782  -9.545  -9.545
  193    HG   CYS  27           HG       CYS  27  -2.270 -11.757 -11.757
  194    H    LYS  28           HN       LYS  28  -6.233  -8.001  -8.001
  195    HA   LYS  28           HA       LYS  28  -4.540  -5.784  -5.784
  196   1HB   LYS  28           HB2      LYS  28  -6.033  -6.570  -6.570
  197   2HB   LYS  28           HB1      LYS  28  -7.319  -6.722  -6.722
  198   1HG   LYS  28           HG2      LYS  28  -7.354  -4.128  -4.128
  199   2HG   LYS  28           HG1      LYS  28  -6.310  -4.175  -4.175
  200   1HD   LYS  28           HD2      LYS  28  -8.651  -3.871  -3.871
  201   2HD   LYS  28           HD1      LYS  28  -8.099  -5.463  -5.463
  202   1HE   LYS  28           HE2      LYS  28  -9.069  -6.277  -6.277
  203   2HE   LYS  28           HE1      LYS  28  -9.985  -4.763  -4.763
  204   1HZ   LYS  28           HZ3      LYS  28 -10.695  -5.385  -5.385
  205   2HZ   LYS  28           HZ2      LYS  28  -9.819  -6.838  -6.838
  206   3HZ   LYS  28           HZ1      LYS  28 -11.155  -6.569  -6.569
  207    H    LYS  29           HN       LYS  29  -6.950  -6.272  -6.272
  208    HA   LYS  29           HA       LYS  29  -6.526  -3.463  -3.463
  209   1HB   LYS  29           HB2      LYS  29  -8.849  -3.173  -3.173
  210   2HB   LYS  29           HB1      LYS  29  -8.749  -4.073  -4.073
  211   1HG   LYS  29           HG2      LYS  29  -9.196  -5.426  -5.426
  212   2HG   LYS  29           HG1      LYS  29 -10.481  -4.906  -4.906
  213   1HD   LYS  29           HD2      LYS  29  -9.175  -6.314  -6.314
  214   2HD   LYS  29           HD1      LYS  29  -8.413  -7.010  -7.010
  215   1HE   LYS  29           HE2      LYS  29 -11.430  -6.826  -6.826
  216   2HE   LYS  29           HE1      LYS  29 -10.593  -8.158  -8.158
  217   1HZ   LYS  29           HZ2      LYS  29  -9.310  -8.429  -8.429
  218   2HZ   LYS  29           HZ1      LYS  29 -10.409  -7.352  -7.352
  219   3HZ   LYS  29           HZ3      LYS  29 -10.957  -8.832  -8.832
  220    H    CYS  30           HN       CYS  30  -5.350  -6.125  -6.125
  221    HA   CYS  30           HA       CYS  30  -6.533  -6.836  -6.836
  222   1HB   CYS  30           HB2      CYS  30  -4.807  -8.500  -8.500
  223   2HB   CYS  30           HB1      CYS  30  -5.200  -8.223  -8.223
  224    HG   CYS  30           HG       CYS  30  -2.653  -8.099  -8.099
  225    H    CYS  31           HN       CYS  31  -5.969  -4.031  -4.031
  226    HA   CYS  31           HA       CYS  31  -4.833  -2.347  -2.347
  227   1HB   CYS  31           HB2      CYS  31  -6.081  -3.984  -3.984
  228   2HB   CYS  31           HB1      CYS  31  -4.477  -4.503  -4.503
  229    HG   CYS  31           HG       CYS  31  -5.602  -2.286  -2.286
  230    H    TYR  32           HN       TYR  32  -2.923  -2.445  -2.445
  231    HA   TYR  32           HA       TYR  32  -0.465  -3.065  -3.065
  232   1HB   TYR  32           HB2      TYR  32   0.398  -4.214  -4.214
  233   2HB   TYR  32           HB1      TYR  32  -0.844  -5.218  -5.218
  234    HD1  TYR  32           HD1      TYR  32  -3.317  -4.279  -4.279
  235    HD2  TYR  32           HD2      TYR  32   0.647  -4.366  -4.366
  236    HE1  TYR  32           HE1      TYR  32  -4.269  -4.284  -4.284
  237    HE2  TYR  32           HE2      TYR  32  -0.317  -4.381  -4.381
  238    HH   TYR  32           HH       TYR  32  -3.023  -3.429  -3.429
  239    H    HIS  33           HN       HIS  33  -1.623  -0.567  -0.567
  240    HA   HIS  33           HA       HIS  33  -1.055   1.449   1.449
  241   1HB   HIS  33           HB2      HIS  33   1.584  -0.072  -0.072
  242   2HB   HIS  33           HB1      HIS  33   1.430   1.658   1.658
  243    HD1  HIS  33           HD1      HIS  33   0.830   3.223   3.223
  244    HD2  HIS  33           HD2      HIS  33   1.285  -0.782  -0.782
  245    HE1  HIS  33           HE1      HIS  33   0.967   3.162   3.162
  246    H    CYS  34           HN       CYS  34  -1.825  -1.096  -1.096
  247    HA   CYS  34           HA       CYS  34  -2.138  -1.678  -1.678
  248   1HB   CYS  34           HB2      CYS  34  -1.439   1.230   1.230
  249   2HB   CYS  34           HB1      CYS  34  -2.241   0.292   0.292
  250    HG   CYS  34           HG       CYS  34  -4.324   1.015   1.015
  251    H    GLN  35           HN       GLN  35  -0.300   0.251   0.251
  252    HA   GLN  35           HA       GLN  35   1.828   0.141   0.141
  253   1HB   GLN  35           HB2      GLN  35   2.598  -1.746  -1.746
  254   2HB   GLN  35           HB1      GLN  35   3.625  -0.798  -0.798
  255   1HG   GLN  35           HG2      GLN  35   3.013   1.306   1.306
  256   2HG   GLN  35           HG1      GLN  35   1.579   0.496   0.496
  257   1HE2  GLN  35          HE22      GLN  35   2.887  -1.043  -1.043
  258   2HE2  GLN  35          HE21      GLN  35   1.702  -1.204  -1.204
  259    H    VAL  36           HN       VAL  36  -0.303  -2.427  -2.427
  260    HA   VAL  36           HA       VAL  36  -0.512  -4.525  -4.525
  261    HB   VAL  36           HB       VAL  36   0.107  -4.337  -4.337
  262   1HG1  VAL  36          HG13      VAL  36  -2.005  -3.615  -3.615
  263   2HG1  VAL  36          HG12      VAL  36  -1.353  -2.033  -2.033
  264   3HG1  VAL  36          HG11      VAL  36  -1.422  -2.536  -2.536
  265   1HG2  VAL  36          HG22      VAL  36   2.122  -2.902  -2.902
  266   2HG2  VAL  36          HG21      VAL  36   0.868  -2.428  -2.428
  267   3HG2  VAL  36          HG23      VAL  36   1.053  -1.550  -1.550
  268    H    CYS  37           HN       CYS  37   1.134  -5.861  -5.861
  269    HA   CYS  37           HA       CYS  37   3.210  -6.937  -6.937
  270   1HB   CYS  37           HB2      CYS  37   1.547  -8.089  -8.089
  271   2HB   CYS  37           HB1      CYS  37   2.837  -7.750  -7.750
  272    HG   CYS  37           HG       CYS  37   4.070  -9.663  -9.663
  273    H    PHE  38           HN       PHE  38   4.457  -4.863  -4.863
  274    HA   PHE  38           HA       PHE  38   5.783  -4.110  -4.110
  275   1HB   PHE  38           HB2      PHE  38   6.583  -2.189  -2.189
  276   2HB   PHE  38           HB1      PHE  38   4.842  -2.539  -2.539
  277    HD1  PHE  38           HD1      PHE  38   5.954  -5.061  -5.061
  278    HD2  PHE  38           HD2      PHE  38   6.497  -0.800  -0.800
  279    HE1  PHE  38           HE1      PHE  38   6.470  -5.060  -5.060
  280    HE2  PHE  38           HE2      PHE  38   7.016  -0.807  -0.807
  281    HZ   PHE  38           HZ       PHE  38   7.003  -2.936  -2.936
  282    H    ILE  39           HN       ILE  39   8.196  -3.354  -3.354
  283    HA   ILE  39           HA       ILE  39  10.030  -5.260  -5.260
  284    HB   ILE  39           HB       ILE  39  11.513  -4.269  -4.269
  285   1HG1  ILE  39          HG12      ILE  39   9.319  -2.323  -2.323
  286   2HG1  ILE  39          HG11      ILE  39   9.259  -3.808  -3.808
  287   1HG2  ILE  39          HG21      ILE  39  10.174  -2.976  -2.976
  288   2HG2  ILE  39          HG23      ILE  39  10.640  -1.806  -1.806
  289   3HG2  ILE  39          HG22      ILE  39  11.857  -2.856  -2.856
  290   1HD1  ILE  39          HD11      ILE  39  11.859  -2.297  -2.297
  291   2HD1  ILE  39          HD13      ILE  39  10.614  -1.702  -1.702
  292   3HD1  ILE  39          HD12      ILE  39  11.286  -3.317  -3.317
  293    H    THR  40           HN       THR  40   8.239  -5.377  -5.377
  294    HA   THR  40           HA       THR  40   9.560  -8.013  -8.013
  295    HB   THR  40           HB       THR  40   8.422  -5.884  -5.884
  296    HG1  THR  40           HG1      THR  40  11.075  -6.732  -6.732
  297   1HG2  THR  40          HG22      THR  40   8.716  -8.612  -8.612
  298   2HG2  THR  40          HG21      THR  40  10.167  -7.882  -7.882
  299   3HG2  THR  40          HG23      THR  40   8.576  -7.328  -7.328
  300    H    LYS  41           HN       LYS  41   8.192  -9.705  -9.705
  301    HA   LYS  41           HA       LYS  41   5.501  -9.770  -9.770
  302   1HB   LYS  41           HB2      LYS  41   5.496 -12.009 -12.009
  303   2HB   LYS  41           HB1      LYS  41   7.100 -11.686 -11.686
  304   1HG   LYS  41           HG2      LYS  41   7.911 -12.349 -12.349
  305   2HG   LYS  41           HG1      LYS  41   7.403 -10.793 -10.793
  306   1HD   LYS  41           HD2      LYS  41   5.182 -12.710 -12.710
  307   2HD   LYS  41           HD1      LYS  41   6.536 -13.348 -13.348
  308   1HE   LYS  41           HE2      LYS  41   6.114 -11.968 -11.968
  309   2HE   LYS  41           HE1      LYS  41   6.065 -10.548 -10.548
  310   1HZ   LYS  41           HZ3      LYS  41   3.867 -12.533 -12.533
  311   2HZ   LYS  41           HZ2      LYS  41   3.894 -11.060 -11.060
  312   3HZ   LYS  41           HZ1      LYS  41   3.855 -11.065 -11.065
  313    H    GLY  42           HN       GLY  42   6.768  -8.613  -8.613
  314   1HA   GLY  42           HA2      GLY  42   4.450  -9.120  -9.120
  315   2HA   GLY  42           HA1      GLY  42   5.732  -7.966  -7.966
  316    H    LEU  43           HN       LEU  43   4.903  -7.043  -7.043
  317    HA   LEU  43           HA       LEU  43   3.553  -5.357  -5.357
  318   1HB   LEU  43           HB2      LEU  43   1.593  -6.031  -6.031
  319   2HB   LEU  43           HB1      LEU  43   1.275  -5.423  -5.423
  320    HG   LEU  43           HG       LEU  43   2.354  -8.161  -8.161
  321   1HD1  LEU  43          HD12      LEU  43  -0.250  -7.202  -7.202
  322   2HD1  LEU  43          HD11      LEU  43  -0.086  -8.120  -8.120
  323   3HD1  LEU  43          HD13      LEU  43   0.294  -8.878  -8.878
  324   1HD2  LEU  43          HD21      LEU  43   3.292  -7.196  -7.196
  325   2HD2  LEU  43          HD23      LEU  43   2.335  -8.662  -8.662
  326   3HD2  LEU  43          HD22      LEU  43   1.640  -7.090  -7.090
  327    H    GLY  44           HN       GLY  44   5.448  -4.823  -4.823
  328   1HA   GLY  44           HA2      GLY  44   6.131  -2.850  -2.850
  329   2HA   GLY  44           HA1      GLY  44   4.726  -2.037  -2.037
  330    H    ILE  45           HN       ILE  45   4.350  -4.997  -4.997
  331    HA   ILE  45           HA       ILE  45   2.600  -3.713  -3.713
  332    HB   ILE  45           HB       ILE  45   2.917  -5.978  -5.978
  333   1HG1  ILE  45          HG12      ILE  45   3.839  -7.487  -7.487
  334   2HG1  ILE  45          HG11      ILE  45   5.055  -6.213  -6.213
  335   1HG2  ILE  45          HG22      ILE  45   1.868  -5.560  -5.560
  336   2HG2  ILE  45          HG21      ILE  45   1.802  -7.168  -7.168
  337   3HG2  ILE  45          HG23      ILE  45   0.982  -5.818  -5.818
  338   1HD1  ILE  45          HD12      ILE  45   4.184  -7.313  -7.313
  339   2HD1  ILE  45          HD11      ILE  45   4.746  -8.582  -8.582
  340   3HD1  ILE  45          HD13      ILE  45   5.809  -7.237  -7.237
  341    H    SER  46           HN       SER  46   5.852  -5.183  -5.183
  342    HA   SER  46           HA       SER  46   6.786  -2.972  -2.972
  343   1HB   SER  46           HB2      SER  46   6.613  -4.102  -4.102
  344   2HB   SER  46           HB1      SER  46   5.022  -3.876  -3.876
  345    HG   SER  46           HG       SER  46   6.328  -6.167  -6.167
  346    H    TYR  47           HN       TYR  47   7.711  -5.081  -5.081
  347    HA   TYR  47           HA       TYR  47   9.750  -6.658  -6.658
  348   1HB   TYR  47           HB2      TYR  47  10.241  -7.447  -7.447
  349   2HB   TYR  47           HB1      TYR  47   8.486  -7.218  -7.218
  350    HD1  TYR  47           HD1      TYR  47  11.587  -5.704  -5.704
  351    HD2  TYR  47           HD2      TYR  47   7.296  -5.620  -5.620
  352    HE1  TYR  47           HE1      TYR  47  11.563  -4.113  -4.113
  353    HE2  TYR  47           HE2      TYR  47   7.273  -4.043  -4.043
  354    HH   TYR  47           HH       TYR  47   9.747  -2.250  -2.250
  355    H    GLY  48           HN       GLY  48   9.602  -3.528  -3.528
  356   1HA   GLY  48           HA2      GLY  48  11.582  -2.096  -2.096
  357   2HA   GLY  48           HA1      GLY  48  12.567  -3.219  -3.219
  358    H    ARG  49           HN       ARG  49   9.622  -1.245  -1.245
  359    HA   ARG  49           HA       ARG  49   9.930  -0.986  -0.986
  360   1HB   ARG  49           HB2      ARG  49   7.817  -0.899  -0.899
  361   2HB   ARG  49           HB1      ARG  49   8.311   0.380   0.380
  362   1HG   ARG  49           HG2      ARG  49   8.744   1.656   1.656
  363   2HG   ARG  49           HG1      ARG  49   7.572   0.471   0.471
  364   1HD   ARG  49           HD2      ARG  49   7.262   2.474   2.474
  365   2HD   ARG  49           HD1      ARG  49   6.384   2.485   2.485
  366    HE   ARG  49           HE       ARG  49   5.857  -0.037  -0.037
  367   1HH1  ARG  49          HH21      ARG  49   5.897   0.279   0.279
  368   2HH1  ARG  49          HH22      ARG  49   4.482   1.173   1.173
  369   1HH2  ARG  49          HH11      ARG  49   3.896   2.365   2.365
  370   2HH2  ARG  49          HH12      ARG  49   3.349   2.360   2.360
  371    H    LYS  50           HN       LYS  50  10.792   0.680   0.680
  372    HA   LYS  50           HA       LYS  50  12.234   2.849   2.849
  373   1HB   LYS  50           HB2      LYS  50  13.827   2.667   2.667
  374   2HB   LYS  50           HB1      LYS  50  13.834   1.305   1.305
  375   1HG   LYS  50           HG2      LYS  50  11.887   1.187   1.187
  376   2HG   LYS  50           HG1      LYS  50  13.537   0.983   0.983
  377   1HD   LYS  50           HD2      LYS  50  13.115  -0.608  -0.608
  378   2HD   LYS  50           HD1      LYS  50  11.754  -0.859  -0.859
  379   1HE   LYS  50           HE2      LYS  50  13.279  -2.451  -2.451
  380   2HE   LYS  50           HE1      LYS  50  13.461  -1.202  -1.202
  381   1HZ   LYS  50           HZ3      LYS  50  15.119  -1.455  -1.455
  382   2HZ   LYS  50           HZ2      LYS  50  15.656  -1.831  -1.831
  383   3HZ   LYS  50           HZ1      LYS  50  15.280  -0.226  -0.226
  384    H    LYS  51           HN       LYS  51   9.767   2.133   2.133
  385    HA   LYS  51           HA       LYS  51   8.471   3.443   3.443
  386   1HB   LYS  51           HB2      LYS  51   9.794   5.559   5.559
  387   2HB   LYS  51           HB1      LYS  51   8.630   5.902   5.902
  388   1HG   LYS  51           HG2      LYS  51   7.990   3.747   3.747
  389   2HG   LYS  51           HG1      LYS  51   7.833   5.429   5.429
  390   1HD   LYS  51           HD2      LYS  51   5.708   5.012   5.012
  391   2HD   LYS  51           HD1      LYS  51   6.487   5.666   5.666
  392   1HE   LYS  51           HE2      LYS  51   6.528   3.640   3.640
  393   2HE   LYS  51           HE1      LYS  51   6.720   2.704   2.704
  394   1HZ   LYS  51           HZ1      LYS  51   4.257   4.185   4.185
  395   2HZ   LYS  51           HZ3      LYS  51   4.467   2.511   2.511
  396   3HZ   LYS  51           HZ2      LYS  51   4.467   3.212   3.212
  397    H    ARG  52           HN       ARG  52   8.632   5.288   5.288
  398    HA   ARG  52           HA       ARG  52   9.610   6.162   6.162
  399   1HB   ARG  52           HB2      ARG  52  12.342   5.965   5.965
  400   2HB   ARG  52           HB1      ARG  52  11.478   7.214   7.214
  401   1HG   ARG  52           HG2      ARG  52  11.089   6.497   6.497
  402   2HG   ARG  52           HG1      ARG  52  11.788   8.007   8.007
  403   1HD   ARG  52           HD2      ARG  52   8.853   7.119   7.119
  404   2HD   ARG  52           HD1      ARG  52   9.494   8.535   8.535
  405    HE   ARG  52           HE       ARG  52   9.245   8.126   8.126
  406   1HH1  ARG  52          HH21      ARG  52  11.886   9.342   9.342
  407   2HH1  ARG  52          HH22      ARG  52  11.548  11.038  11.038
  408   1HH2  ARG  52          HH11      ARG  52   8.193  10.592  10.592
  409   2HH2  ARG  52          HH12      ARG  52   9.452  11.747  11.747
  410    H    ARG  53           HN       ARG  53   9.852   3.074   3.074
  411    HA   ARG  53           HA       ARG  53  12.002   2.185   2.185
  412   1HB   ARG  53           HB2      ARG  53   9.746   0.771   0.771
  413   2HB   ARG  53           HB1      ARG  53  11.173  -0.056  -0.056
  414   1HG   ARG  53           HG2      ARG  53  10.930   1.648   1.648
  415   2HG   ARG  53           HG1      ARG  53  11.703   0.084   0.084
  416   1HD   ARG  53           HD2      ARG  53  12.747   2.576   2.576
  417   2HD   ARG  53           HD1      ARG  53  13.265   2.133   2.133
  418    HE   ARG  53           HE       ARG  53  13.574  -0.267  -0.267
  419   1HH1  ARG  53          HH11      ARG  53  13.752   0.946   0.946
  420   2HH1  ARG  53          HH12      ARG  53  15.431   1.344   1.344
  421   1HH2  ARG  53          HH21      ARG  53  16.062   1.109   1.109
  422   2HH2  ARG  53          HH22      ARG  53  16.743   1.437   1.437
  423    H    GLN  54           HN       GLN  54   9.102   3.606   3.606
  424    HA   GLN  54           HA       GLN  54   7.741   2.001   2.001
  425   1HB   GLN  54           HB2      GLN  54   7.731   4.543   4.543
  426   2HB   GLN  54           HB1      GLN  54   7.380   4.881   4.881
  427   1HG   GLN  54           HG2      GLN  54   5.612   2.811   2.811
  428   2HG   GLN  54           HG1      GLN  54   6.124   3.165   3.165
  429   1HE2  GLN  54          HE22      GLN  54   4.521   6.394   6.394
  430   2HE2  GLN  54          HE21      GLN  54   5.911   5.577   5.577
  431    H    ARG  55           HN       ARG  55  10.076   4.694   4.694
  432    HA   ARG  55           HA       ARG  55  11.578   5.314   5.314
  433   1HB   ARG  55           HB2      ARG  55  10.949   2.510   2.510
  434   2HB   ARG  55           HB1      ARG  55  12.282   3.530   3.530
  435   1HG   ARG  55           HG2      ARG  55  11.808   2.539   2.539
  436   2HG   ARG  55           HG1      ARG  55  12.965   1.876   1.876
  437   1HD   ARG  55           HD2      ARG  55  13.062   4.812   4.812
  438   2HD   ARG  55           HD1      ARG  55  13.892   3.565   3.565
  439    HE   ARG  55           HE       ARG  55  14.611   2.937   2.937
  440   1HH1  ARG  55          HH11      ARG  55  14.197   5.797   5.797
  441   2HH1  ARG  55          HH12      ARG  55  15.746   6.496   6.496
  442   1HH2  ARG  55          HH21      ARG  55  16.814   3.843   3.843
  443   2HH2  ARG  55          HH22      ARG  55  17.232   5.386   5.386
  444    H    ARG  56           HN       ARG  56   8.340   5.094   5.094
  445    HA   ARG  56           HA       ARG  56   8.492   6.149   6.149
  446   1HB   ARG  56           HB2      ARG  56   6.629   4.148   4.148
  447   2HB   ARG  56           HB1      ARG  56   6.096   5.100   5.100
  448   1HG   ARG  56           HG2      ARG  56   6.989   3.340   3.340
  449   2HG   ARG  56           HG1      ARG  56   8.430   4.344   4.344
  450   1HD   ARG  56           HD2      ARG  56   9.257   3.108   3.108
  451   2HD   ARG  56           HD1      ARG  56   7.707   2.270   2.270
  452    HE   ARG  56           HE       ARG  56   8.242   1.512   1.512
  453   1HH1  ARG  56          HH21      ARG  56  10.767   1.568   1.568
  454   2HH1  ARG  56          HH22      ARG  56  11.665   0.425   0.425
  455   1HH2  ARG  56          HH11      ARG  56   9.214   0.108   0.108
  456   2HH2  ARG  56          HH12      ARG  56  10.784  -0.403  -0.403
  457    H    ARG  57           HN       ARG  57   8.622   7.619   7.619
  458    HA   ARG  57           HA       ARG  57   6.153   8.667   8.667
  459   1HB   ARG  57           HB2      ARG  57   8.478   8.856   8.856
  460   2HB   ARG  57           HB1      ARG  57   8.807  10.148  10.148
  461   1HG   ARG  57           HG2      ARG  57   8.090  11.194  11.194
  462   2HG   ARG  57           HG1      ARG  57   6.700  11.288  11.288
  463   1HD   ARG  57           HD2      ARG  57   5.530   9.608   9.608
  464   2HD   ARG  57           HD1      ARG  57   6.988   8.939   8.939
  465    HE   ARG  57           HE       ARG  57   6.815  11.613  11.613
  466   1HH1  ARG  57          HH21      ARG  57   3.969  11.535  11.535
  467   2HH1  ARG  57          HH22      ARG  57   3.646  10.709  10.709
  468   1HH2  ARG  57          HH11      ARG  57   6.831   9.331   9.331
  469   2HH2  ARG  57          HH12      ARG  57   5.274   9.455   9.455
  470    HA   PRO  58           HA       PRO  58   6.536  12.005  12.005
  471   1HB   PRO  58           HB2      PRO  58   8.105  11.492  11.492
  472   2HB   PRO  58           HB1      PRO  58   8.701  12.297  12.297
  473   1HG   PRO  58           HG2      PRO  58   9.073   9.499   9.499
  474   2HG   PRO  58           HG1      PRO  58  10.161  10.549  10.549
  475   1HD   PRO  58           HD2      PRO  58   8.599   8.524   8.524
  476   2HD   PRO  58           HD1      PRO  58   9.359   9.763   9.763
  477    H    SER  59           HN       SER  59   6.458   8.579   8.579
  478    HA   SER  59           HA       SER  59   4.764   8.999   8.999
  479   1HB   SER  59           HB2      SER  59   6.585   7.320   7.320
  480   2HB   SER  59           HB1      SER  59   5.793   6.502   6.502
  481    HG   SER  59           HG       SER  59   4.834   5.455   5.455
  482    H    GLN  60           HN       GLN  60   2.593   9.244   9.244
  483    HA   GLN  60           HA       GLN  60   1.081   7.417   7.417
  484   1HB   GLN  60           HB2      GLN  60   1.548  10.334  10.334
  485   2HB   GLN  60           HB1      GLN  60   0.019   9.547   9.547
  486   1HG   GLN  60           HG2      GLN  60   0.681   8.593   8.593
  487   2HG   GLN  60           HG1      GLN  60   1.586   7.633   7.633
  488   1HE2  GLN  60          HE22      GLN  60   3.669  10.902  10.902
  489   2HE2  GLN  60          HE21      GLN  60   2.106  11.092  11.092
  490    H    GLY  61           HN       GLY  61   1.014   7.812   7.812
  491   1HA   GLY  61           HA2      GLY  61  -1.240   9.590   9.590
  492   2HA   GLY  61           HA1      GLY  61  -0.440   8.501   8.501
  493    H    GLY  62           HN       GLY  62  -2.591   8.686   8.686
  494   1HA   GLY  62           HA2      GLY  62  -4.491   7.381   7.381
  495   2HA   GLY  62           HA1      GLY  62  -4.433   6.742   6.742
  496    H    GLN  63           HN       GLN  63  -1.673   6.600   6.600
  497    HA   GLN  63           HA       GLN  63  -1.439   3.735   3.735
  498   1HB   GLN  63           HB2      GLN  63  -0.032   5.925   5.925
  499   2HB   GLN  63           HB1      GLN  63   0.503   4.282   4.282
  500   1HG   GLN  63           HG2      GLN  63  -0.007   5.167   5.167
  501   2HG   GLN  63           HG1      GLN  63   1.297   6.006   6.006
  502   1HE2  GLN  63          HE22      GLN  63   1.763   1.863   1.863
  503   2HE2  GLN  63          HE21      GLN  63   0.237   2.526   2.526
  504    H    THR  64           HN       THR  64  -3.249   5.614   5.614
  505    HA   THR  64           HA       THR  64  -4.156   5.157   5.157
  506    HB   THR  64           HB       THR  64  -4.040   2.418   2.418
  507    HG1  THR  64           HG1      THR  64  -5.593   3.132   3.132
  508   1HG2  THR  64          HG22      THR  64  -5.375   3.465   3.465
  509   2HG2  THR  64          HG21      THR  64  -6.217   2.246   2.246
  510   3HG2  THR  64          HG23      THR  64  -4.626   1.894   1.894
  511    H    HIS  65           HN       HIS  65  -1.467   5.485   5.485
  512    HA   HIS  65           HA       HIS  65   0.037   3.293   3.293
  513   1HB   HIS  65           HB2      HIS  65   0.286   5.907   5.907
  514   2HB   HIS  65           HB1      HIS  65   1.400   5.902   5.902
  515    HD1  HIS  65           HD1      HIS  65   2.391   6.174   6.174
  516    HD2  HIS  65           HD2      HIS  65   1.632   2.387   2.387
  517    HE1  HIS  65           HE1      HIS  65   3.638   4.557   4.557
  518    H    GLN  66           HN       GLN  66  -2.428   4.690   4.690
  519    HA   GLN  66           HA       GLN  66  -3.130   4.843   4.843
  520   1HB   GLN  66           HB2      GLN  66  -0.479   3.477   3.477
  521   2HB   GLN  66           HB1      GLN  66  -1.695   3.674   3.674
  522   1HG   GLN  66           HG2      GLN  66  -2.680   1.810   1.810
  523   2HG   GLN  66           HG1      GLN  66  -3.136   2.630   2.630
  524   1HE2  GLN  66          HE22      GLN  66  -0.453   1.167   1.167
  525   2HE2  GLN  66          HE21      GLN  66  -1.471   2.524   2.524
  526    H    ASP  67           HN       ASP  67   0.346   5.361   5.361
  527    HA   ASP  67           HA       ASP  67  -0.185   7.441   7.441
  528   1HB   ASP  67           HB2      ASP  67   1.681   5.868   5.868
  529   2HB   ASP  67           HB1      ASP  67   2.275   6.571   6.571
  530    HA   PRO  68           HA       PRO  68   1.458  10.454  10.454
  531   1HB   PRO  68           HB2      PRO  68   1.433   9.707   9.707
  532   2HB   PRO  68           HB1      PRO  68   2.823   9.433   9.433
  533   1HG   PRO  68           HG2      PRO  68   0.731   7.489   7.489
  534   2HG   PRO  68           HG1      PRO  68   2.428   7.184   7.184
  535   1HD   PRO  68           HD2      PRO  68   0.200   6.721   6.721
  536   2HD   PRO  68           HD1      PRO  68   1.894   6.600   6.600
  537    H    ILE  69           HN       ILE  69  -1.256   8.391   8.391
  538    HA   ILE  69           HA       ILE  69  -2.671  10.968  10.968
  539    HB   ILE  69           HB       ILE  69  -3.432  10.088  10.088
  540   1HG1  ILE  69          HG12      ILE  69  -4.574   8.039   8.039
  541   2HG1  ILE  69          HG11      ILE  69  -3.127   7.657   7.657
  542   1HG2  ILE  69          HG21      ILE  69  -0.858  10.155  10.155
  543   2HG2  ILE  69          HG23      ILE  69  -0.953   8.392   8.392
  544   3HG2  ILE  69          HG22      ILE  69  -1.550   9.281   9.281
  545   1HD1  ILE  69          HD13      ILE  69  -1.862   6.943   6.943
  546   2HD1  ILE  69          HD12      ILE  69  -3.116   7.454   7.454
  547   3HD1  ILE  69          HD11      ILE  69  -3.402   6.086   6.086
  548    HA   PRO  70           HA       PRO  70  -5.231   8.100   8.100
  549   1HB   PRO  70           HB2      PRO  70  -4.791   9.409   9.409
  550   2HB   PRO  70           HB1      PRO  70  -3.862   7.966   7.966
  551   1HG   PRO  70           HG2      PRO  70  -3.244  10.896  10.896
  552   2HG   PRO  70           HG1      PRO  70  -2.172   9.559   9.559
  553   1HD   PRO  70           HD2      PRO  70  -2.094  10.755  10.755
  554   2HD   PRO  70           HD1      PRO  70  -1.779   9.005   9.005
  555    H    LYS  71           HN       LYS  71  -4.760  11.400  11.400
  556    HA   LYS  71           HA       LYS  71  -7.074  12.503  12.503
  557   1HB   LYS  71           HB2      LYS  71  -6.527  14.476  14.476
  558   2HB   LYS  71           HB1      LYS  71  -5.143  13.867  13.867
  559   1HG   LYS  71           HG2      LYS  71  -5.021  12.444  12.444
  560   2HG   LYS  71           HG1      LYS  71  -5.522  14.094  14.094
  561   1HD   LYS  71           HD2      LYS  71  -3.223  13.834  13.834
  562   2HD   LYS  71           HD1      LYS  71  -3.637  15.033  15.033
  563   1HE   LYS  71           HE2      LYS  71  -3.377  13.118  13.118
  564   2HE   LYS  71           HE1      LYS  71  -2.758  12.138  12.138
  565   1HZ   LYS  71           HZ1      LYS  71  -1.103  13.878  13.878
  566   2HZ   LYS  71           HZ3      LYS  71  -1.683  14.783  14.783
  567   3HZ   LYS  71           HZ2      LYS  71  -0.939  13.278  13.278
  568    H    GLN  72           HN       GLN  72  -6.437  11.342  11.342
  569    HA   GLN  72           HA       GLN  72  -9.304  10.911  10.911
  570   1HB   GLN  72           HB2      GLN  72  -8.874  12.510  12.510
  571   2HB   GLN  72           HB1      GLN  72  -9.550  13.090  13.090
  572   1HG   GLN  72           HG2      GLN  72  -7.902  14.611  14.611
  573   2HG   GLN  72           HG1      GLN  72  -7.103  13.634  13.634
  574   1HE2  GLN  72          HE22      GLN  72  -4.892  12.319  12.319
  575   2HE2  GLN  72          HE21      GLN  72  -5.527  11.881  11.881
  576    HA   PRO  73           HA       PRO  73  -7.804   8.024   8.024
  577   1HB   PRO  73           HB2      PRO  73  -9.512   8.333   8.333
  578   2HB   PRO  73           HB1      PRO  73  -9.995   7.513   7.513
  579   1HG   PRO  73           HG2      PRO  73 -10.445  10.352  10.352
  580   2HG   PRO  73           HG1      PRO  73 -11.614   9.218   9.218
  581   1HD   PRO  73           HD2      PRO  73 -10.381  11.151  11.151
  582   2HD   PRO  73           HD1      PRO  73 -10.688   9.571   9.571
  583    H    SER  74           HN       SER  74  -8.721  11.142  11.142
  584    HA   SER  74           HA       SER  74  -7.653  12.474  12.474
  585   1HB   SER  74           HB2      SER  74  -6.174  12.060  12.060
  586   2HB   SER  74           HB1      SER  74  -4.999  11.411  11.411
  587    HG   SER  74           HG       SER  74  -5.111  13.841  13.841
  588    H    SER  75           HN       SER  75  -8.475  10.030  10.030
  589    HA   SER  75           HA       SER  75  -7.124   9.831   9.831
  590   1HB   SER  75           HB2      SER  75  -5.432   8.860   8.860
  591   2HB   SER  75           HB1      SER  75  -6.350   7.450   7.450
  592    HG   SER  75           HG       SER  75  -5.578   7.280   7.280
  593    H    GLN  76           HN       GLN  76  -8.893   8.172   8.172
  594    HA   GLN  76           HA       GLN  76 -10.082   6.118   6.118
  595   1HB   GLN  76           HB2      GLN  76 -10.473   7.187   7.187
  596   2HB   GLN  76           HB1      GLN  76 -11.515   5.918   5.918
  597   1HG   GLN  76           HG2      GLN  76  -9.991   4.405   4.405
  598   2HG   GLN  76           HG1      GLN  76  -8.928   5.065   5.065
  599   1HE2  GLN  76          HE22      GLN  76  -6.876   6.880   6.880
  600   2HE2  GLN  76          HE21      GLN  76  -7.371   6.756   6.756
  601    HA   PRO  77           HA       PRO  77 -13.811   9.023   9.023
  602   1HB   PRO  77           HB2      PRO  77 -13.528  11.569  11.569
  603   2HB   PRO  77           HB1      PRO  77 -13.926  10.126  10.126
  604   1HG   PRO  77           HG2      PRO  77 -11.477  11.693  11.693
  605   2HG   PRO  77           HG1      PRO  77 -12.024  10.589  10.589
  606   1HD   PRO  77           HD2      PRO  77 -10.254  10.191  10.191
  607   2HD   PRO  77           HD1      PRO  77 -10.418   9.175   9.175
  608    H    ARG  78           HN       ARG  78 -10.863   9.726   9.726
  609    HA   ARG  78           HA       ARG  78 -12.037  11.114  11.114
  610   1HB   ARG  78           HB2      ARG  78 -10.888  13.292  13.292
  611   2HB   ARG  78           HB1      ARG  78 -12.047  12.908  12.908
  612   1HG   ARG  78           HG2      ARG  78 -10.124  11.922  11.922
  613   2HG   ARG  78           HG1      ARG  78  -9.058  12.587  12.587
  614   1HD   ARG  78           HD2      ARG  78 -11.095  14.352  14.352
  615   2HD   ARG  78           HD1      ARG  78  -9.458  14.082  14.082
  616    HE   ARG  78           HE       ARG  78  -9.354  14.714  14.714
  617   1HH1  ARG  78          HH11      ARG  78 -11.205  16.737  16.737
  618   2HH1  ARG  78          HH12      ARG  78 -10.072  18.022  18.022
  619   1HH2  ARG  78          HH21      ARG  78  -7.295  16.088  16.088
  620   2HH2  ARG  78          HH22      ARG  78  -7.852  17.654  17.654
  621    H    GLY  79           HN       GLY  79  -9.030  10.322  10.322
  622   1HA   GLY  79           HA2      GLY  79  -7.290  10.809  10.809
  623   2HA   GLY  79           HA1      GLY  79  -6.828   9.922   9.922
  624    H    ASP  80           HN       ASP  80  -5.970   8.045   8.045
  625    HA   ASP  80           HA       ASP  80  -6.821   6.764   6.764
  626   1HB   ASP  80           HB2      ASP  80  -4.981   6.114   6.114
  627   2HB   ASP  80           HB1      ASP  80  -5.264   4.948   4.948
  628    HA   PRO  81           HA       PRO  81 -10.049   4.188   4.188
  629   1HB   PRO  81           HB2      PRO  81  -9.752   2.006   2.006
  630   2HB   PRO  81           HB1      PRO  81 -10.430   3.552   3.552
  631   1HG   PRO  81           HG2      PRO  81  -7.661   2.471   2.471
  632   2HG   PRO  81           HG1      PRO  81  -8.670   3.328   3.328
  633   1HD   PRO  81           HD2      PRO  81  -6.679   4.538   4.538
  634   2HD   PRO  81           HD1      PRO  81  -8.147   5.405   5.405
  635    H    THR  82           HN       THR  82 -10.138   2.861   2.861
  636    HA   THR  82           HA       THR  82  -7.832   1.043   1.043
  637    HB   THR  82           HB       THR  82  -8.946   1.533   1.533
  638    HG1  THR  82           HG1      THR  82  -9.661   3.550   3.550
  639   1HG2  THR  82          HG21      THR  82  -6.546   1.957   1.957
  640   2HG2  THR  82          HG23      THR  82  -7.035   3.601   3.601
  641   3HG2  THR  82          HG22      THR  82  -6.890   2.385   2.385
  642    H    GLY  83           HN       GLY  83 -11.319   1.372   1.372
  643   1HA   GLY  83           HA2      GLY  83 -12.105  -1.259  -1.259
  644   2HA   GLY  83           HA1      GLY  83 -11.732  -1.165  -1.165
  645    HA   PRO  84           HA       PRO  84 -15.878   0.640   0.640
  646   1HB   PRO  84           HB2      PRO  84 -16.218   0.172   0.172
  647   2HB   PRO  84           HB1      PRO  84 -16.283  -1.114  -1.114
  648   1HG   PRO  84           HG2      PRO  84 -14.265  -0.640  -0.640
  649   2HG   PRO  84           HG1      PRO  84 -14.449  -2.023  -2.023
  650   1HD   PRO  84           HD2      PRO  84 -12.857   0.494   0.494
  651   2HD   PRO  84           HD1      PRO  84 -12.330  -1.031  -1.031
  652    H    LYS  85           HN       LYS  85 -13.457   2.320   2.320
  653    HA   LYS  85           HA       LYS  85 -13.790   4.159   4.159
  654   1HB   LYS  85           HB2      LYS  85 -11.972   5.335   5.335
  655   2HB   LYS  85           HB1      LYS  85 -11.614   3.643   3.643
  656   1HG   LYS  85           HG2      LYS  85 -11.605   2.953   2.953
  657   2HG   LYS  85           HG1      LYS  85 -12.976   3.887   3.887
  658   1HD   LYS  85           HD2      LYS  85 -10.931   5.848   5.848
  659   2HD   LYS  85           HD1      LYS  85 -10.184   4.574   4.574
  660   1HE   LYS  85           HE2      LYS  85 -11.807   4.778   4.778
  661   2HE   LYS  85           HE1      LYS  85 -12.858   5.771   5.771
  662   1HZ   LYS  85           HZ3      LYS  85 -10.070   6.602   6.602
  663   2HZ   LYS  85           HZ2      LYS  85 -11.241   6.964   6.964
  664   3HZ   LYS  85           HZ1      LYS  85 -11.421   7.541   7.541
  665    H    GLU  86           HN       GLU  86 -15.105   3.855   3.855
  666    HA   GLU  86           HA       GLU  86 -15.508   6.667   6.667
  667   1HB   GLU  86           HB2      GLU  86 -16.806   4.124   4.124
  668   2HB   GLU  86           HB1      GLU  86 -16.953   5.701   5.701
  669   1HG   GLU  86           HG2      GLU  86 -14.361   5.613   5.613
  670   2HG   GLU  86           HG1      GLU  86 -14.571   3.918   3.918