*HEADER   CHEMOTAXIS                              06-FEB-96   1FWP    
*TITLE    CHEY-BINDING DOMAIN OF CHEA (RESIDUES 159 - 227), NMR,      
*TITLE   2 MINIMIZED AVERAGE STRUCTURE                                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CHEA;                                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: CHEY-BINDING DOMAIN, RESIDUES 159 - 227;         
*COMPND  5 SYNONYM: P2 DOMAIN OF CHEA;                                
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  4 ORGANISM_COMMON: ESCHERICHIA COLI;                         
*SOURCE  5 STRAIN: K38;                                               
*SOURCE  6 EXPRESSION_SYSTEM: TAC PROMOTER                            
*SOURCE  7 (CONTROLLED BY LACTOSE REPRESSOR EXPRESSED CONSTITUTIVELY  
*SOURCE  8 FROM A LACIQ GENE ALSO ON THE PLASMID);                    
*SOURCE  9 EXPRESSION_SYSTEM_PLASMID: PTM22;                          
*SOURCE 10 EXPRESSION_SYSTEM_GENE: CHEA (RESIDUES 124-257);           
*SOURCE 11 OTHER_DETAILS: SEE MORRISON & PARKINSON (1994) PROC. NATL. 
*SOURCE 12 ACAD. SCI USA, 91, 5485-5489 FOR DETAILS ON PLASMID        
*SOURCE 13 CONSTRUCTION                                               
*KEYWDS   KINASE, SIGNAL TRANSDUCTION, CHEMOTAXIS                     
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   M.M.MCEVOY,F.W.DAHLQUIST                                    
*REVDAT  1   11-JUL-96 1FWP    0                                      

REMARKS  This file is the list of distance and dihedral angle
REMARKS restraints used in calculating the structure of the 
REMARKS CheY-binding domain of CheA, residues 159-227.
assign (resid  2 and name c) (resid  3 and name n) 
(resid  3 and name ca) (resid  3 and name c) 1.0 -139.0 30.0 2 
assign (resid  3 and name c) (resid  4 and name n) 
(resid  4 and name ca) (resid  4 and name c) 1.0 -139.0 30.0 2 
assign (resid  4 and name c) (resid  5 and name n) 
(resid  5 and name ca) (resid  5 and name c) 1.0 -139.0 30.0 2 
assign (resid  5 and name c) (resid  6 and name n) 
(resid  6 and name ca) (resid  6 and name c) 1.0 -139.0 30.0 2 
assign (resid  6 and name c) (resid  7 and name n) 
(resid  7 and name ca) (resid  7 and name c) 1.0 -139.0 30.0 2 
assign (resid  7 and name c) (resid  8 and name n)
(resid  8 and name ca) (resid  8 and name c) 1.0 -139.0 30.0 2
assign (resid  8 and name c) (resid  9 and name n) 
(resid  9 and name ca) (resid  9 and name c) 1.0 -57.0 30.0 2 
assign (resid 12 and name c) (resid 13 and name n) 
(resid 13 and name ca) (resid 13 and name c) 1.0 -57.0 30.0 2 
assign (resid 13 and name c) (resid 14 and name n) 
(resid 14 and name ca) (resid 14 and name c) 1.0 -57.0 30.0 2 
assign (resid 14 and name c) (resid 15 and name n) 
(resid 15 and name ca) (resid 15 and name c) 1.0 -57.0 30.0 2 
assign (resid 15 and name c) (resid 16 and name n) 
(resid 16 and name ca) (resid 16 and name c) 1.0 -57.0 30.0 2 
assign (resid 16 and name c) (resid 17 and name n) 
(resid 17 and name ca) (resid 17 and name c) 1.0 -57.0 30.0 2 
assign (resid 17 and name c) (resid 18 and name n) 
(resid 18 and name ca) (resid 18 and name c) 1.0 -57.0 30.0 2 
assign (resid 18 and name c) (resid 19 and name n) 
(resid 19 and name ca) (resid 19 and name c) 1.0 -57.0 30.0 2 
assign (resid 19 and name c) (resid 20 and name n) 
(resid 20 and name ca) (resid 20 and name c) 1.0 -57.0 30.0 2 
assign (resid 20 and name c) (resid 21 and name n) 
(resid 21 and name ca) (resid 21 and name c) 1.0 -57.0 30.0 2 
assign (resid 21 and name c) (resid 22 and name n) 
(resid 22 and name ca) (resid 22 and name c) 1.0 -57.0 30.0 2 
assign (resid 25 and name c) (resid 26 and name n) 
(resid 26 and name ca) (resid 26 and name c) 1.0 -139.0 30.0 2 
assign (resid 27 and name c) (resid 28 and name n) 
(resid 28 and name ca) (resid 28 and name c) 1.0 -139.0 30.0 2 
assign (resid 29 and name c) (resid 30 and name n) 
(resid 30 and name ca) (resid 30 and name c) 1.0 -57.0 30.0 2 
assign (resid 30 and name c) (resid 31 and name n) 
(resid 31 and name ca) (resid 31 and name c) 1.0 -139.0 30.0 2 
assign (resid 31 and name c) (resid 32 and name n) 
(resid 32 and name ca) (resid 32 and name c) 1.0 -139.0 30.0 2 
assign (resid 32 and name c) (resid 33 and name n) 
(resid 33 and name ca) (resid 33 and name c) 1.0 -139.0 30.0 2 
assign (resid 34 and name c) (resid 35 and name n) 
(resid 35 and name ca) (resid 35 and name c) 1.0 -139.0 30.0 2 
assign (resid 37 and name c) (resid 38 and name n) 
(resid 38 and name ca) (resid 38 and name c) 1.0 -139.0 30.0 2 
assign (resid 39 and name c) (resid 40 and name n) 
(resid 40 and name ca) (resid 40 and name c) 1.0 -139.0 30.0 2 
assign (resid 40 and name c) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1.0 -139.0 30.0 2
assign (resid 46 and name c) (resid 47 and name n) 
(resid 47 and name ca) (resid 47 and name c) 1.0 -57.0 30.0 2 
assign (resid 47 and name c) (resid 48 and name n) 
(resid 48 and name ca) (resid 48 and name c) 1.0 -57.0 30.0 2 
assign (resid 49 and name c) (resid 50 and name n) 
(resid 50 and name ca) (resid 50 and name c) 1.0 -57.0 30.0 2 
assign (resid 50 and name c) (resid 51 and name n) 
(resid 51 and name ca) (resid 51 and name c) 1.0 -57.0 30.0 2 
assign (resid 51 and name c) (resid 52 and name n) 
(resid 52 and name ca) (resid 52 and name c) 1.0 -57.0 30.0 2 
assign (resid 54 and name c) (resid 55 and name n) 
(resid 55 and name ca) (resid 55 and name c) 1.0 -57.0 30.0 2 
assign (resid 57 and name c) (resid 58 and name n) 
(resid 58 and name ca) (resid 58 and name c) 1.0 -139.0 30.0 2 
assign (resid 61 and name c) (resid 62 and name n)
(resid 62 and name ca) (resid 62 and name c) 1.0 -139.0 30.0 2
assign (resid 62 and name c) (resid 63 and name n) 
(resid 63 and name ca) (resid 63 and name c) 1.0 -139.0 30.0 2 
assign (resid 63 and name c) (resid 64 and name n) 
(resid 64 and name ca) (resid 64 and name c) 1.0 -139.0 30.0 2 
assign (resid 64 and name c) (resid 65 and name n) 
(resid 65 and name ca) (resid 65 and name c) 1.0 -139.0 30.0 2 
assign (resid 65 and name c) (resid 66 and name n) 
(resid 66 and name ca) (resid 66 and name c) 1.0 -139.0 30.0 2 
assign (resid  9 and name c) (resid 10 and name n) 
(resid 10 and name ca) (resid 10 and name c) 1.0 -139.0 30.0 2 
assign (resid 22 and name c) (resid 23 and name n) 
(resid 23 and name ca) (resid 23 and name c) 1.0 -139.0 30.0 2 
assign (resid 23 and name c) (resid 24 and name n) 
(resid 24 and name ca) (resid 24 and name c) 1.0 -139.0 30.0 2 
assign (resid 28 and name c) (resid 29 and name n) 
(resid 29 and name ca) (resid 29 and name c) 1.0 -139.0 30.0 2 
assign (resid 43 and name c) (resid 44 and name n) 
(resid 44 and name ca) (resid 44 and name c) 1.0 -139.0 30.0 2 
assign (resid 44 and name c) (resid 45 and name n) 
(resid 45 and name ca) (resid 45 and name c) 1.0 -139.0 30.0 2 
assign (resid 56 and name c) (resid 57 and name n) 
(resid 57 and name ca) (resid 57 and name c) 1.0 -139.0 30.0 2 
assign (resid 58 and name c) (resid 59 and name n) 
(resid 59 and name ca) (resid 59 and name c) 1.0 -139.0 30.0 2 
assign (resid 10 and name c) (resid 11 and name n) 
(resid 11 and name ca) (resid 11 and name c) 1.0 -57.0 30.0 2 
assign (resid 33 and name c) (resid 34 and name n) 
(resid 34 and name ca) (resid 34 and name c) 1.0 -57.0 50.0 2 
assign (resid  1 and name HA  ) (resid  1 and name HB*  ) 1.8 0.0 2.2
assign (resid  1 and name HA  ) (resid  1 and name HG*  ) 1.8 0.0 2.2
assign (resid  1 and name HB* ) (resid  1 and name HG*  ) 1.8 0.0 2.2
assign (resid  1 and name HB* ) (resid  1 and name HD1  ) 1.8 0.0 3.2
assign (resid  1 and name HB* ) (resid  1 and name HD2  ) 1.8 0.0 3.2
assign (resid  1 and name HG* ) (resid  1 and name HD1  ) 1.8 0.0 2.2
assign (resid  1 and name HG* ) (resid  1 and name HD2  ) 1.8 0.0 1.0
assign (resid  2 and name HA  ) (resid  2 and name HB1  ) 1.8 0.0 2.2
assign (resid  2 and name HA  ) (resid  2 and name HB2  ) 1.8 0.0 3.2
assign (resid  2 and name HA  ) (resid  2 and name HG*  ) 1.8 0.0 3.2
assign (resid  2 and name HA  ) (resid  2 and name HD1  ) 1.8 0.0 3.2
assign (resid  2 and name HA  ) (resid  2 and name HD2  ) 1.8 0.0 3.2
assign (resid  2 and name HB1 ) (resid  2 and name HN   ) 1.8 0.0 3.2
assign (resid  2 and name HB2 ) (resid  2 and name HN   ) 1.8 0.0 3.2
assign (resid  2 and name HB1 ) (resid  2 and name HB2  ) 1.8 0.0 1.0
assign (resid  2 and name HB1 ) (resid  2 and name HG*  ) 1.8 0.0 2.2
assign (resid  2 and name HB1 ) (resid  2 and name HD1  ) 1.8 0.0 3.2
assign (resid  2 and name HB2 ) (resid  2 and name HD1  ) 1.8 0.0 3.2
assign (resid  2 and name HB1 ) (resid  2 and name HD2  ) 1.8 0.0 3.2
assign (resid  2 and name HB2 ) (resid  2 and name HD2  ) 1.8 0.0 3.2
assign (resid  2 and name HG* ) (resid  2 and name HN   ) 1.8 0.0 3.2
assign (resid  2 and name HG* ) (resid  2 and name HD1  ) 1.8 0.0 3.2
assign (resid  2 and name HG* ) (resid  2 and name HD2  ) 1.8 0.0 3.2
assign (resid  2 and name HD1 ) (resid  2 and name HN   ) 1.8 0.0 3.2
assign (resid  2 and name HD2 ) (resid  2 and name HN   ) 1.8 0.0 3.2
assign (resid  2 and name HD1 ) (resid  2 and name HD2  ) 1.8 0.0 1.0
assign (resid  2 and name HD1 ) (resid  2 and name HE*  ) 1.8 0.0 3.2
assign (resid  2 and name HD2 ) (resid  2 and name HE*  ) 1.8 0.0 3.2
assign (resid  3 and name HA  ) (resid  3 and name HB1  ) 1.8 0.0 3.2
assign (resid  3 and name HA  ) (resid  3 and name HB2  ) 1.8 0.0 3.2
assign (resid  3 and name HA  ) (resid  3 and name HG1  ) 1.8 0.0 3.2
assign (resid  3 and name HA  ) (resid  3 and name HG2  ) 1.8 0.0 3.2
assign (resid  3 and name HA  ) (resid  3 and name HD*  ) 1.8 0.0 3.2
assign (resid  3 and name HB1 ) (resid  3 and name HN   ) 1.8 0.0 2.2
assign (resid  3 and name HB2 ) (resid  3 and name HN   ) 1.8 0.0 3.2
assign (resid  3 and name HB1 ) (resid  3 and name HB2  ) 1.8 0.0 2.2
assign (resid  3 and name HB2 ) (resid  3 and name HG2  ) 1.8 0.0 3.2
assign (resid  3 and name HB1 ) (resid  3 and name HD*  ) 1.8 0.0 3.2
assign (resid  3 and name HB2 ) (resid  3 and name HD*  ) 1.8 0.0 3.2
assign (resid  3 and name HG1 ) (resid  3 and name HN   ) 1.8 0.0 3.2
assign (resid  3 and name HG2 ) (resid  3 and name HN   ) 1.8 0.0 3.2
assign (resid  3 and name HG1 ) (resid  3 and name HG2  ) 1.8 0.0 1.0
assign (resid  3 and name HG1 ) (resid  3 and name HD*  ) 1.8 0.0 3.2
assign (resid  3 and name HG2 ) (resid  3 and name HD*  ) 1.8 0.0 3.2
assign (resid  3 and name HD* ) (resid  3 and name HN   ) 1.8 0.0 3.2
assign (resid  3 and name HD* ) (resid  3 and name HE*  ) 1.8 0.0 3.2
assign (resid  4 and name HA  ) (resid  4 and name HB   ) 1.8 0.0 1.0
assign (resid  4 and name HA  ) (resid  4 and name HG11 ) 1.8 0.0 3.2
assign (resid  4 and name HA  ) (resid  4 and name HG12 ) 1.8 0.0 3.2
assign (resid  4 and name HA  ) (resid  4 and name HG2* ) 1.8 0.0 3.2
assign (resid  4 and name HA  ) (resid  4 and name HD*  ) 1.8 0.0 3.2
assign (resid  4 and name HB  ) (resid  4 and name HN   ) 1.8 0.0 3.2
assign (resid  4 and name HB  ) (resid  4 and name HG11 ) 1.8 0.0 3.2
assign (resid  4 and name HB  ) (resid  4 and name HG12 ) 1.8 0.0 3.2
assign (resid  4 and name HB  ) (resid  4 and name HG2* ) 1.8 0.0 3.2
assign (resid  4 and name HB  ) (resid  4 and name HD*  ) 1.8 0.0 3.2
assign (resid  4 and name HG11) (resid  4 and name HN   ) 1.8 0.0 3.2
assign (resid  4 and name HG12) (resid  4 and name HN   ) 1.8 0.0 3.2
assign (resid  4 and name HG11) (resid  4 and name HD*  ) 1.8 0.0 3.2
assign (resid  4 and name HG12) (resid  4 and name HD*  ) 1.8 0.0 3.2
assign (resid  4 and name HG2*) (resid  4 and name HD*  ) 1.8 0.0 3.2
assign (resid  4 and name HD* ) (resid  4 and name HN   ) 1.8 0.0 3.2
assign (resid  5 and name HA  ) (resid  5 and name HB   ) 1.8 0.0 3.2
assign (resid  5 and name HA  ) (resid  5 and name HG11 ) 1.8 0.0 3.2
assign (resid  5 and name HA  ) (resid  5 and name HG12 ) 1.8 0.0 3.2
assign (resid  5 and name HA  ) (resid  5 and name HG2* ) 1.8 0.0 3.2
assign (resid  5 and name HA  ) (resid  5 and name HD*  ) 1.8 0.0 3.2
assign (resid  5 and name HB  ) (resid  5 and name HN   ) 1.8 0.0 3.2
assign (resid  5 and name HB  ) (resid  5 and name HG11 ) 1.8 0.0 2.2
assign (resid  5 and name HB  ) (resid  5 and name HG12 ) 1.8 0.0 3.2
assign (resid  5 and name HB  ) (resid  5 and name HG2* ) 1.8 0.0 3.2
assign (resid  5 and name HB  ) (resid  5 and name HD*  ) 1.8 0.0 3.2
assign (resid  5 and name HG11) (resid  5 and name HN   ) 1.8 0.0 3.2
assign (resid  5 and name HG12) (resid  5 and name HN   ) 1.8 0.0 3.2
assign (resid  5 and name HG11) (resid  5 and name HG12 ) 1.8 0.0 1.0
assign (resid  5 and name HG11) (resid  5 and name HG2* ) 1.8 0.0 3.2
assign (resid  5 and name HG12) (resid  5 and name HG2* ) 1.8 0.0 3.2
assign (resid  5 and name HG11) (resid  5 and name HD*  ) 1.8 0.0 3.2
assign (resid  5 and name HG12) (resid  5 and name HD*  ) 1.8 0.0 3.2
assign (resid  5 and name HG2*) (resid  5 and name HN   ) 1.8 0.0 3.2
assign (resid  5 and name HD* ) (resid  5 and name HN   ) 1.8 0.0 3.2
assign (resid  6 and name HA  ) (resid  6 and name HB1  ) 1.8 0.0 3.2
assign (resid  6 and name HA  ) (resid  6 and name HB2  ) 1.8 0.0 3.2
assign (resid  6 and name HA  ) (resid  6 and name HG   ) 1.8 0.0 3.2
assign (resid  6 and name HA  ) (resid  6 and name HD1* ) 1.8 0.0 3.2
assign (resid  6 and name HB1 ) (resid  6 and name HN   ) 1.8 0.0 3.2
assign (resid  6 and name HB2 ) (resid  6 and name HN   ) 1.8 0.0 3.2
assign (resid  6 and name HB1 ) (resid  6 and name HB2  ) 1.8 0.0 2.2
assign (resid  6 and name HB1 ) (resid  6 and name HG   ) 1.8 0.0 2.2
assign (resid  6 and name HB2 ) (resid  6 and name HG   ) 1.8 0.0 3.2
assign (resid  6 and name HB1 ) (resid  6 and name HD1* ) 1.8 0.0 3.2
assign (resid  6 and name HB2 ) (resid  6 and name HD1* ) 1.8 0.0 3.2
assign (resid  6 and name HG  ) (resid  6 and name HN   ) 1.8 0.0 3.2
assign (resid  6 and name HD1*) (resid  6 and name HN   ) 1.8 0.0 3.2
assign (resid  6 and name HD2*) (resid  6 and name HN   ) 1.8 0.0 3.2
assign (resid  7 and name HA  ) (resid  7 and name HB1  ) 1.8 0.0 2.2
assign (resid  7 and name HA  ) (resid  7 and name HB2  ) 1.8 0.0 2.2
assign (resid  7 and name HB2 ) (resid  7 and name HN   ) 1.8 0.0 3.2
assign (resid  7 and name HB1 ) (resid  7 and name HB2  ) 1.8 0.0 1.0
assign (resid  8 and name HA  ) (resid  8 and name HB*  ) 1.8 0.0 2.2
assign (resid  8 and name HA  ) (resid  8 and name HG*  ) 1.8 0.0 3.2
assign (resid  8 and name HA  ) (resid  8 and name HD1  ) 1.8 0.0 3.2
assign (resid  8 and name HA  ) (resid  8 and name HD2  ) 1.8 0.0 3.2
assign (resid  8 and name HB* ) (resid  8 and name HN   ) 1.8 0.0 3.2
assign (resid  8 and name HB* ) (resid  8 and name HG*  ) 1.8 0.0 3.2
assign (resid  8 and name HB* ) (resid  8 and name HD1  ) 1.8 0.0 3.2
assign (resid  8 and name HB* ) (resid  8 and name HD2  ) 1.8 0.0 3.2
assign (resid  8 and name HG* ) (resid  8 and name HN   ) 1.8 0.0 3.2
assign (resid  8 and name HG* ) (resid  8 and name HD1  ) 1.8 0.0 2.2
assign (resid  8 and name HG* ) (resid  8 and name HD2  ) 1.8 0.0 2.2
assign (resid  8 and name HD1 ) (resid  8 and name HN   ) 1.8 0.0 3.2
assign (resid  8 and name HD2 ) (resid  8 and name HN   ) 1.8 0.0 3.2
assign (resid  9 and name HA  ) (resid  9 and name HB1  ) 1.8 0.0 2.2
assign (resid  9 and name HA  ) (resid  9 and name HB2  ) 1.8 0.0 2.2
assign (resid  9 and name HB1 ) (resid  9 and name HN   ) 1.8 0.0 3.2
assign (resid  9 and name HB2 ) (resid  9 and name HN   ) 1.8 0.0 3.2
assign (resid  9 and name HB1 ) (resid  9 and name HB2  ) 1.8 0.0 1.0
assign (resid  9 and name HG  ) (resid  9 and name HN   ) 1.8 0.0 3.2
assign (resid 10 and name HA  ) (resid 10 and name HB1  ) 1.8 0.0 1.0
assign (resid 10 and name HA  ) (resid 10 and name HB2  ) 1.8 0.0 3.2
assign (resid 10 and name HA  ) (resid 10 and name HG1  ) 1.8 0.0 3.2
assign (resid 10 and name HA  ) (resid 10 and name HG2  ) 1.8 0.0 3.2
assign (resid 10 and name HA  ) (resid 10 and name HD*  ) 1.8 0.0 3.2
assign (resid 10 and name HA  ) (resid 10 and name HE*  ) 1.8 0.0 3.2
assign (resid 10 and name HB1 ) (resid 10 and name HN   ) 1.8 0.0 3.2
assign (resid 10 and name HB2 ) (resid 10 and name HN   ) 1.8 0.0 3.2
assign (resid 10 and name HB1 ) (resid 10 and name HB2  ) 1.8 0.0 1.0
assign (resid 10 and name HB1 ) (resid 10 and name HG1  ) 1.8 0.0 2.2
assign (resid 10 and name HB2 ) (resid 10 and name HG1  ) 1.8 0.0 2.2
assign (resid 10 and name HB1 ) (resid 10 and name HG2  ) 1.8 0.0 2.2
assign (resid 10 and name HB1 ) (resid 10 and name HD*  ) 1.8 0.0 2.2
assign (resid 10 and name HB2 ) (resid 10 and name HD*  ) 1.8 0.0 2.2
assign (resid 10 and name HB1 ) (resid 10 and name HE*  ) 1.8 0.0 3.2
assign (resid 10 and name HB2 ) (resid 10 and name HE*  ) 1.8 0.0 3.2
assign (resid 10 and name HG1 ) (resid 10 and name HN   ) 1.8 0.0 3.2
assign (resid 10 and name HG2 ) (resid 10 and name HN   ) 1.8 0.0 3.2
assign (resid 10 and name HG1 ) (resid 10 and name HG2  ) 1.8 0.0 1.0
assign (resid 10 and name HG2 ) (resid 10 and name HD*  ) 1.8 0.0 2.2
assign (resid 10 and name HG1 ) (resid 10 and name HE*  ) 1.8 0.0 3.2
assign (resid 10 and name HG2 ) (resid 10 and name HE*  ) 1.8 0.0 3.2
assign (resid 10 and name HD* ) (resid 10 and name HN   ) 1.8 0.0 3.2
assign (resid 10 and name HD* ) (resid 10 and name HE*  ) 1.8 0.0 2.2
assign (resid 10 and name HE* ) (resid 10 and name HN   ) 1.8 0.0 3.2
assign (resid 11 and name HA  ) (resid 11 and name HB*  ) 1.8 0.0 3.2
assign (resid 11 and name HB* ) (resid 11 and name HN   ) 1.8 0.0 3.2
assign (resid 12 and name HA1 ) (resid 12 and name HA2  ) 1.8 0.0 1.0
assign (resid 13 and name HA  ) (resid 13 and name HN   ) 1.8 0.0 2.2
assign (resid 13 and name HA  ) (resid 13 and name HB1  ) 1.8 0.0 2.2
assign (resid 13 and name HA  ) (resid 13 and name HB2  ) 1.8 0.0 2.2
assign (resid 13 and name HA  ) (resid 13 and name HG1  ) 1.8 0.0 2.2
assign (resid 13 and name HA  ) (resid 13 and name HG2  ) 1.8 0.0 2.2
assign (resid 13 and name HB1 ) (resid 13 and name HN   ) 1.8 0.0 3.2
assign (resid 13 and name HB2 ) (resid 13 and name HN   ) 1.8 0.0 3.2
assign (resid 13 and name HB1 ) (resid 13 and name HB2  ) 1.8 0.0 1.0
assign (resid 13 and name HB1 ) (resid 13 and name HG1  ) 1.8 0.0 2.2
assign (resid 13 and name HB2 ) (resid 13 and name HG1  ) 1.8 0.0 2.2
assign (resid 13 and name HB1 ) (resid 13 and name HG2  ) 1.8 0.0 2.2
assign (resid 13 and name HB2 ) (resid 13 and name HG2  ) 1.8 0.0 2.2
assign (resid 13 and name HG1 ) (resid 13 and name HN   ) 1.8 0.0 3.2
assign (resid 13 and name HG2 ) (resid 13 and name HN   ) 1.8 0.0 3.2
assign (resid 13 and name HG1 ) (resid 13 and name HG2  ) 1.8 0.0 1.0
assign (resid 14 and name HA  ) (resid 14 and name HN   ) 1.8 0.0 1.0
assign (resid 14 and name HA  ) (resid 14 and name HB   ) 1.8 0.0 2.2
assign (resid 14 and name HA  ) (resid 14 and name HG2* ) 1.8 0.0 3.2
assign (resid 14 and name HA  ) (resid 14 and name HG1* ) 1.8 0.0 3.2
assign (resid 14 and name HB  ) (resid 14 and name HN   ) 1.8 0.0 1.0
assign (resid 14 and name HB  ) (resid 14 and name HG2* ) 1.8 0.0 3.2
assign (resid 14 and name HB  ) (resid 14 and name HG1* ) 1.8 0.0 3.2
assign (resid 14 and name HG2*) (resid 14 and name HN   ) 1.8 0.0 3.2
assign (resid 14 and name HG1*) (resid 14 and name HN   ) 1.8 0.0 3.2
assign (resid 15 and name HA  ) (resid 15 and name HN   ) 1.8 0.0 2.2
assign (resid 15 and name HA  ) (resid 15 and name HB1  ) 1.8 0.0 1.0
assign (resid 15 and name HA  ) (resid 15 and name HB2  ) 1.8 0.0 2.2
assign (resid 15 and name HB1 ) (resid 15 and name HN   ) 1.8 0.0 2.2
assign (resid 15 and name HB2 ) (resid 15 and name HN   ) 1.8 0.0 2.2
assign (resid 16 and name HA  ) (resid 16 and name HN   ) 1.8 0.0 1.0
assign (resid 16 and name HA  ) (resid 16 and name HB*  ) 1.8 0.0 2.2
assign (resid 16 and name HA  ) (resid 16 and name HG   ) 1.8 0.0 3.2
assign (resid 16 and name HB* ) (resid 16 and name HN   ) 1.8 0.0 3.2
assign (resid 16 and name HB* ) (resid 16 and name HG   ) 1.8 0.0 2.2
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assign (resid 42 and name HA  ) (resid 45 and name HG2* ) 1.8 0.0 3.2
assign (resid 42 and name HB1 ) (resid 44 and name HN   ) 1.8 0.0 3.2
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assign (resid 43 and name HN  ) (resid 45 and name HN   ) 1.8 0.0 3.2
assign (resid 43 and name HA1 ) (resid 45 and name HN   ) 1.8 0.0 3.2
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assign (resid 45 and name HN  ) (resid 47 and name HN   ) 1.8 0.0 3.2
assign (resid 45 and name HA  ) (resid 44 and name HN   ) 1.8 0.0 3.2
assign (resid 45 and name HD* ) (resid 47 and name HA   ) 1.8 0.0 3.2
assign (resid 45 and name HG2*) (resid 49 and name HB1  ) 1.8 0.0 3.2
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assign (resid 45 and name HG2*) (resid 50 and name HN   ) 1.8 0.0 3.2
assign (resid 46 and name HN  ) (resid 49 and name HN   ) 1.8 0.0 3.2
assign (resid 46 and name HA  ) (resid 49 and name HN   ) 1.8 0.0 3.2
assign (resid 46 and name HB* ) (resid 48 and name HB2  ) 1.8 0.0 3.2
assign (resid 46 and name HB* ) (resid 49 and name HB1  ) 1.8 0.0 3.2
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assign (resid 46 and name HB* ) (resid 49 and name HN   ) 1.8 0.0 3.2
assign (resid 46 and name HB* ) (resid 50 and name HN   ) 1.8 0.0 3.2
assign (resid 47 and name HN  ) (resid 49 and name HN   ) 1.8 0.0 3.2
assign (resid 47 and name HA  ) (resid 49 and name HN   ) 1.8 0.0 3.2
assign (resid 47 and name HA  ) (resid 50 and name HN   ) 1.8 0.0 3.2
assign (resid 47 and name HA  ) (resid 45 and name HN   ) 1.8 0.0 3.2
assign (resid 47 and name HA  ) (resid 50 and name HB   ) 1.8 0.0 2.2
assign (resid 47 and name HB1 ) (resid 45 and name HN   ) 1.8 0.0 3.2
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assign (resid 47 and name HG1 ) (resid 45 and name HN   ) 1.8 0.0 3.2
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assign (resid 48 and name HN  ) (resid 50 and name HN   ) 1.8 0.0 3.2
assign (resid 48 and name HA  ) (resid 51 and name HN   ) 1.8 0.0 3.2
assign (resid 48 and name HA  ) (resid 51 and name HG*  ) 1.8 0.0 3.2
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assign (resid 49 and name HB1 ) (resid 46 and name HN   ) 1.8 0.0 3.2
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assign (resid 49 and name HA  ) (resid 52 and name HB*  ) 1.8 0.0 2.2
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assign (resid 50 and name HA  ) (resid 53 and name HN   ) 1.8 0.0 3.2
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assign (resid 50 and name HA  ) (resid 53 and name HB   ) 1.8 0.0 3.2
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assign (resid 50 and name HA  ) (resid 53 and name HG1* ) 1.8 0.0 3.2
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assign (resid 50 and name HB  ) (resid 53 and name HN   ) 1.8 0.0 3.2
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assign (resid 52 and name HN  ) (resid 54 and name HN   ) 1.8 0.0 3.2
assign (resid 52 and name HA  ) (resid 55 and name HB1  ) 1.8 0.0 3.2
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assign (resid 52 and name HB* ) (resid 55 and name HN   ) 1.8 0.0 3.2
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assign (resid 53 and name HA  ) (resid 56 and name HN   ) 1.8 0.0 3.2
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assign (resid 54 and name HA  ) (resid 58 and name HD*  ) 1.8 0.0 3.2
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assign (resid  2 and name HA  ) (resid 67 and name HA   ) 1.8 0.0 1.0
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assign (resid  2 and name HE  ) (resid 45 and name HG*  ) 1.8 0.0 3.2
assign (resid  2 and name HE  ) (resid 45 and name HD*  ) 1.8 0.0 3.2
assign (resid  2 and name HE  ) (resid 45 and name HN   ) 1.8 0.0 3.2
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assign (resid  3 and name HN  ) (resid 68 and name HN   ) 1.8 0.0 3.2
assign (resid  3 and name HA  ) (resid 41 and name HN   ) 1.8 0.0 2.2
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assign (resid  3 and name HA  ) (resid 40 and name HA   ) 1.8 0.0 1.0
assign (resid  3 and name HA  ) (resid 40 and name HG2* ) 1.8 0.0 3.2
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assign (resid  4 and name HA  ) (resid 65 and name HA   ) 1.8 0.0 1.0
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assign (resid  4 and name HB  ) (resid 65 and name HD*  ) 1.8 0.0 3.2
assign (resid  4 and name HB  ) (resid 65 and name HE*  ) 1.8 0.0 3.2
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assign (resid  4 and name HD* ) (resid 39 and name HN   ) 1.8 0.0 2.2
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assign (resid  5 and name HA  ) (resid 39 and name HN   ) 1.8 0.0 1.0
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assign (resid  5 and name HA  ) (resid 38 and name HB1  ) 1.8 0.0 2.2
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assign (resid  5 and name HG11) (resid 38 and name HA   ) 1.8 0.0 3.2
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assign (resid 50 and name HG2*) (resid 65 and name HD*  ) 1.8 0.0 3.2
assign (resid 51 and name HG* ) (resid 63 and name HB   ) 1.8 0.0 3.2
assign (resid 51 and name HG* ) (resid 63 and name HG2* ) 1.8 0.0 3.2
assign (resid 51 and name HG* ) (resid 63 and name HD*  ) 1.8 0.0 3.2
assign (resid 51 and name HG* ) (resid 65 and name HD*  ) 1.8 0.0 2.2
assign (resid 51 and name HG* ) (resid 65 and name HE*  ) 1.8 0.0 3.2
assign (resid 54 and name HG  ) (resid 63 and name HD1* ) 1.8 0.0 3.2
assign (resid 57 and name HG2*) (resid 63 and name HD1* ) 1.8 0.0 3.2
assign (resid 58 and name HD1*) (resid  7 and name HN   ) 1.8 0.0 3.2
assign (resid 62 and name HA  ) (resid  7 and name HN   ) 1.8 0.0 3.2
assign (resid 62 and name HB1 ) (resid  7 and name HN   ) 1.8 0.0 3.2
assign (resid 62 and name HB2 ) (resid  7 and name HN   ) 1.8 0.0 3.2
assign (resid 63 and name HG2*) (resid  5 and name HN   ) 1.8 0.0 3.2
assign (resid 63 and name HG2*) (resid  6 and name HA   ) 1.8 0.0 3.2
assign (resid 64 and name HB  ) (resid  5 and name HN   ) 1.8 0.0 3.2
assign (resid 65 and name HB* ) (resid  3 and name HN   ) 1.8 0.0 3.2
assign (resid 65 and name HA  ) (resid  5 and name HN   ) 1.8 0.0 3.2
assign (resid 67 and name HA  ) (resid  3 and name HN   ) 1.8 0.0 2.2
assign (resid 68 and name HA  ) (resid  3 and name HN   ) 1.8 0.0 3.2
assign (resid  2 and name HN) (resid 41 and name  O) 1.5 0.0 1.0
assign (resid  2 and name  N) (resid 41 and name  O) 2.4 0.0 1.0
assign (resid  2 and name  O) (resid 41 and name HN) 1.5 0.0 1.0
assign (resid  2 and name  O) (resid 41 and name  N) 2.4 0.0 1.0
assign (resid  3 and name HN) (resid 66 and name  O) 1.5 0.0 1.0
assign (resid  3 and name  N) (resid 66 and name  O) 2.4 0.0 1.0
assign (resid  3 and name  O) (resid 66 and name HN) 1.5 0.0 1.0
assign (resid  3 and name  O) (resid 66 and name  N) 2.4 0.0 1.0
assign (resid  4 and name HN) (resid 39 and name  O) 1.5 0.0 1.0
assign (resid  4 and name  N) (resid 39 and name  O) 2.4 0.0 1.0
assign (resid  4 and name  O) (resid 39 and name HN) 1.5 0.0 1.0
assign (resid  4 and name  O) (resid 39 and name  N) 2.4 0.0 1.0
assign (resid  5 and name HN) (resid 64 and name  O) 1.5 0.0 1.0
assign (resid  5 and name  N) (resid 64 and name  O) 2.4 0.0 1.0
assign (resid  5 and name  O) (resid 64 and name HN) 1.5 0.0 1.0
assign (resid  5 and name  O) (resid 64 and name  N) 2.4 0.0 1.0
assign (resid  6 and name HN) (resid 37 and name  O) 1.5 0.0 1.0
assign (resid  6 and name  N) (resid 37 and name  O) 2.4 0.0 1.0
assign (resid  6 and name  O) (resid 37 and name HN) 1.5 0.0 1.0
assign (resid  6 and name  O) (resid 37 and name  N) 2.4 0.0 1.0
assign (resid 31 and name HN) (resid 38 and name  O) 1.5 0.0 1.0
assign (resid 31 and name  N) (resid 38 and name  O) 2.4 0.0 1.0
assign (resid 31 and name  O) (resid 38 and name HN) 1.5 0.0 1.0
assign (resid 31 and name  O) (resid 38 and name  N) 2.4 0.0 1.0
assign (resid 17 and name HN) (resid 13 and name  O) 1.5 0.0 1.0
assign (resid 17 and name N ) (resid 13 and name  O) 2.4 0.0 1.0
assign (resid 18 and name HN) (resid 14 and name  O) 1.5 0.0 1.0
assign (resid 18 and name N ) (resid 14 and name  O) 2.4 0.0 1.0
assign (resid 19 and name HN) (resid 15 and name  O) 1.5 0.0 1.0
assign (resid 19 and name N ) (resid 15 and name  O) 2.4 0.0 1.0
assign (resid 20 and name HN) (resid 16 and name  O) 1.5 0.0 1.0
assign (resid 20 and name N ) (resid 16 and name  O) 2.4 0.0 1.0
assign (resid 21 and name HN) (resid 17 and name  O) 1.5 0.0 1.0
assign (resid 21 and name N ) (resid 17 and name  O) 2.4 0.0 1.0
assign (resid 22 and name HN) (resid 18 and name  O) 1.5 0.0 1.0
assign (resid 22 and name N ) (resid 18 and name  O) 2.4 0.0 1.0
assign (resid 50 and name HN) (resid 46 and name  O) 1.5 0.0 1.0
assign (resid 50 and name N ) (resid 46 and name  O) 2.4 0.0 1.0
assign (resid 51 and name HN) (resid 47 and name  O) 1.5 0.0 1.0
assign (resid 51 and name N ) (resid 47 and name  O) 2.4 0.0 1.0
assign (resid 52 and name HN) (resid 48 and name  O) 1.5 0.0 1.0
assign (resid 52 and name N ) (resid 48 and name  O) 2.4 0.0 1.0
assign (resid 53 and name HN) (resid 49 and name  O) 1.5 0.0 1.0
assign (resid 53 and name N ) (resid 49 and name  O) 2.4 0.0 1.0
assign (resid 54 and name HN) (resid 50 and name  O) 1.5 0.0 1.0
assign (resid 54 and name N ) (resid 50 and name  O) 2.4 0.0 1.0

  Entry H atom name         Submitted Coord H atom name
    1   1H    PRO   1           HT1      PRO   1 -11.683   7.150  -2.976
    2   2H    PRO   1           HT2      PRO   1 -11.477   7.366  -4.653
    3    HA   PRO   1           HA       PRO   1  -9.281   7.548  -4.215
    4   1HB   PRO   1           HB2      PRO   1  -9.275  10.000  -2.732
    5   2HB   PRO   1           HB1      PRO   1  -9.026   9.801  -4.474
    6   1HG   PRO   1           HG2      PRO   1 -11.231  11.038  -3.266
    7   2HG   PRO   1           HG1      PRO   1 -11.135  10.497  -4.951
    8   1HD   PRO   1           HD2      PRO   1 -12.478   9.215  -2.638
    9   2HD   PRO   1           HD1      PRO   1 -12.863   9.105  -4.354
   10    H    ARG   2           HN       ARG   2  -7.929   6.601  -2.609
   11    HA   ARG   2           HA       ARG   2  -8.509   7.344   0.174
   12   1HB   ARG   2           HB2      ARG   2  -8.524   4.752   0.718
   13   2HB   ARG   2           HB1      ARG   2 -10.008   5.600   0.286
   14   1HG   ARG   2           HG2      ARG   2 -10.271   4.076  -1.342
   15   2HG   ARG   2           HG1      ARG   2  -8.921   4.836  -2.173
   16   1HD   ARG   2           HD2      ARG   2  -7.355   3.294  -1.272
   17   2HD   ARG   2           HD1      ARG   2  -8.482   2.769  -0.021
   18    HE   ARG   2           HE       ARG   2  -8.432   1.824  -2.801
   19   1HH1  ARG   2          HH11      ARG   2 -11.180   2.202  -2.847
   20   2HH1  ARG   2          HH12      ARG   2 -11.873   0.953  -1.868
   21   1HH2  ARG   2          HH21      ARG   2  -8.908   0.227  -0.226
   22   2HH2  ARG   2          HH22      ARG   2 -10.588  -0.163  -0.385
   23    H    ARG   3           HN       ARG   3  -7.050   6.250   1.718
   24    HA   ARG   3           HA       ARG   3  -4.294   6.039   0.566
   25   1HB   ARG   3           HB2      ARG   3  -4.364   7.854   2.092
   26   2HB   ARG   3           HB1      ARG   3  -5.424   6.993   3.205
   27   1HG   ARG   3           HG2      ARG   3  -3.267   6.984   4.222
   28   2HG   ARG   3           HG1      ARG   3  -3.489   5.362   3.573
   29   1HD   ARG   3           HD2      ARG   3  -1.448   5.743   2.616
   30   2HD   ARG   3           HD1      ARG   3  -2.394   6.630   1.421
   31    HE   ARG   3           HE       ARG   3  -1.201   8.008   3.790
   32   1HH1  ARG   3          HH21      ARG   3  -3.026   9.015   1.373
   33   2HH1  ARG   3          HH22      ARG   3  -1.842   9.956   0.529
   34   1HH2  ARG   3          HH11      ARG   3   0.841   8.656   2.299
   35   2HH2  ARG   3          HH12      ARG   3   0.347   9.754   1.054
   36    H    ILE   4           HN       ILE   4  -2.889   4.515   1.675
   37    HA   ILE   4           HA       ILE   4  -4.172   2.300   3.133
   38    HB   ILE   4           HB       ILE   4  -4.380   1.184   1.131
   39   1HG1  ILE   4          HG12      ILE   4  -2.222   0.338   2.521
   40   2HG1  ILE   4          HG11      ILE   4  -2.763  -0.442   1.040
   41   1HG2  ILE   4          HG22      ILE   4  -2.311   3.125   0.150
   42   2HG2  ILE   4          HG21      ILE   4  -2.697   1.694  -0.804
   43   3HG2  ILE   4          HG23      ILE   4  -3.957   2.866  -0.421
   44   1HD1  ILE   4          HD12      ILE   4  -0.928   1.852   0.644
   45   2HD1  ILE   4          HD11      ILE   4  -0.218   0.450   1.440
   46   3HD1  ILE   4          HD13      ILE   4  -0.956   0.281  -0.151
   47    H    ILE   5           HN       ILE   5  -2.873   2.548   4.939
   48    HA   ILE   5           HA       ILE   5   0.031   2.994   4.416
   49    HB   ILE   5           HB       ILE   5  -1.590   3.319   6.973
   50   1HG1  ILE   5          HG12      ILE   5  -0.492   5.765   6.113
   51   2HG1  ILE   5          HG11      ILE   5  -1.166   5.019   4.660
   52   1HG2  ILE   5          HG22      ILE   5   0.790   2.736   7.350
   53   2HG2  ILE   5          HG21      ILE   5   1.271   4.088   6.324
   54   3HG2  ILE   5          HG23      ILE   5   0.436   4.391   7.848
   55   1HD1  ILE   5          HD11      ILE   5  -2.688   5.257   7.270
   56   2HD1  ILE   5          HD13      ILE   5  -2.807   6.439   5.967
   57   3HD1  ILE   5          HD12      ILE   5  -3.329   4.776   5.700
   58    H    LEU   6           HN       LEU   6   1.560   1.591   5.422
   59    HA   LEU   6           HA       LEU   6   0.474  -0.822   6.787
   60   1HB   LEU   6           HB2      LEU   6   2.712  -1.116   4.810
   61   2HB   LEU   6           HB1      LEU   6   1.519  -2.309   5.329
   62    HG   LEU   6           HG       LEU   6  -0.124  -0.481   4.193
   63   1HD1  LEU   6          HD12      LEU   6   2.482   0.323   3.404
   64   2HD1  LEU   6          HD11      LEU   6   1.715  -0.393   1.987
   65   3HD1  LEU   6          HD13      LEU   6   0.939   0.951   2.824
   66   1HD2  LEU   6          HD21      LEU   6   0.829  -3.060   3.607
   67   2HD2  LEU   6          HD23      LEU   6  -0.586  -2.269   2.914
   68   3HD2  LEU   6          HD22      LEU   6   0.974  -2.155   2.101
   69    H    SER   7           HN       SER   7   1.893  -1.698   8.347
   70    HA   SER   7           HA       SER   7   4.493  -0.270   8.653
   71   1HB   SER   7           HB2      SER   7   3.662  -0.737  11.254
   72   2HB   SER   7           HB1      SER   7   3.652   0.808  10.407
   73    HG   SER   7           HG       SER   7   1.572   0.678  10.729
   74    H    ARG   8           HN       ARG   8   5.721  -1.991   8.089
   75    HA   ARG   8           HA       ARG   8   6.207  -4.031  10.062
   76   1HB   ARG   8           HB2      ARG   8   4.053  -4.795   8.815
   77   2HB   ARG   8           HB1      ARG   8   5.144  -5.159   7.478
   78   1HG   ARG   8           HG2      ARG   8   4.760  -7.125   8.973
   79   2HG   ARG   8           HG1      ARG   8   6.456  -6.646   8.895
   80   1HD   ARG   8           HD2      ARG   8   6.400  -5.654  11.034
   81   2HD   ARG   8           HD1      ARG   8   4.639  -5.558  11.040
   82    HE   ARG   8           HE       ARG   8   4.611  -8.033  11.338
   83   1HH1  ARG   8          HH11      ARG   8   7.551  -8.349  10.517
   84   2HH1  ARG   8          HH12      ARG   8   8.282  -8.678  12.052
   85   1HH2  ARG   8          HH21      ARG   8   5.551  -7.582  13.886
   86   2HH2  ARG   8          HH22      ARG   8   7.151  -8.243  13.960
   87    H    LEU   9           HN       LEU   9   6.601  -2.876   6.763
   88    HA   LEU   9           HA       LEU   9   8.854  -4.443   6.019
   89   1HB   LEU   9           HB2      LEU   9   9.350  -2.322   4.566
   90   2HB   LEU   9           HB1      LEU   9   7.886  -3.257   4.247
   91    HG   LEU   9           HG       LEU   9   7.549  -1.192   6.317
   92   1HD1  LEU   9          HD11      LEU   9   8.850  -0.531   3.785
   93   2HD1  LEU   9          HD13      LEU   9   7.328   0.334   3.999
   94   3HD1  LEU   9          HD12      LEU   9   8.600   0.476   5.212
   95   1HD2  LEU   9          HD21      LEU   9   5.802  -2.634   5.074
   96   2HD2  LEU   9          HD23      LEU   9   5.452  -0.914   5.238
   97   3HD2  LEU   9          HD22      LEU   9   6.061  -1.547   3.710
   98    H    LYS  10           HN       LYS  10  10.927  -2.817   5.407
   99    HA   LYS  10           HA       LYS  10  11.800  -1.634   8.007
  100   1HB   LYS  10           HB2      LYS  10  13.637  -3.138   6.131
  101   2HB   LYS  10           HB1      LYS  10  13.943  -2.656   7.804
  102   1HG   LYS  10           HG2      LYS  10  12.553  -4.320   8.679
  103   2HG   LYS  10           HG1      LYS  10  11.640  -4.485   7.174
  104   1HD   LYS  10           HD2      LYS  10  13.774  -5.369   6.111
  105   2HD   LYS  10           HD1      LYS  10  14.458  -5.440   7.735
  106   1HE   LYS  10           HE2      LYS  10  12.012  -6.672   8.071
  107   2HE   LYS  10           HE1      LYS  10  12.488  -7.206   6.459
  108   1HZ   LYS  10           HZ3      LYS  10  14.645  -7.864   7.390
  109   2HZ   LYS  10           HZ2      LYS  10  14.103  -7.431   8.941
  110   3HZ   LYS  10           HZ1      LYS  10  13.358  -8.707   8.102
  111    H    ALA  11           HN       ALA  11  14.343  -0.831   6.983
  112    HA   ALA  11           HA       ALA  11  13.500   1.539   5.489
  113   1HB   ALA  11           HB1      ALA  11  15.308   1.458   7.308
  114   2HB   ALA  11           HB3      ALA  11  16.346   0.715   6.091
  115   3HB   ALA  11           HB2      ALA  11  15.716   2.342   5.837
  116    H    GLY  12           HN       GLY  12  12.747   0.192   3.575
  117   1HA   GLY  12           HA2      GLY  12  14.212   0.490   1.300
  118   2HA   GLY  12           HA1      GLY  12  14.876  -1.015   1.942
  119    H    GLU  13           HN       GLU  13  11.995  -1.453   3.100
  120    HA   GLU  13           HA       GLU  13  11.071  -2.943   0.731
  121   1HB   GLU  13           HB2      GLU  13  10.782  -3.183   3.587
  122   2HB   GLU  13           HB1      GLU  13   9.184  -3.165   2.831
  123   1HG   GLU  13           HG2      GLU  13   9.767  -4.994   1.376
  124   2HG   GLU  13           HG1      GLU  13  11.462  -4.919   1.873
  125    H    VAL  14           HN       VAL  14  10.588   0.143   1.963
  126    HA   VAL  14           HA       VAL  14   7.830   0.629   1.691
  127    HB   VAL  14           HB       VAL  14  10.223   2.364   1.030
  128   1HG1  VAL  14          HG11      VAL  14   7.974   2.954  -0.153
  129   2HG1  VAL  14          HG13      VAL  14   7.433   3.410   1.462
  130   3HG1  VAL  14          HG12      VAL  14   8.816   4.221   0.734
  131   1HG2  VAL  14          HG22      VAL  14   9.448   1.480   3.436
  132   2HG2  VAL  14          HG21      VAL  14  10.076   3.112   3.210
  133   3HG2  VAL  14          HG23      VAL  14   8.335   2.841   3.296
  134    H    ASP  15           HN       ASP  15  10.347   0.898  -0.839
  135    HA   ASP  15           HA       ASP  15   8.588   1.469  -2.991
  136   1HB   ASP  15           HB2      ASP  15  11.052  -0.243  -3.314
  137   2HB   ASP  15           HB1      ASP  15  10.399   0.965  -4.421
  138    H    LEU  16           HN       LEU  16   9.345  -1.518  -1.342
  139    HA   LEU  16           HA       LEU  16   8.407  -3.360  -3.302
  140   1HB   LEU  16           HB2      LEU  16   9.288  -3.451  -0.584
  141   2HB   LEU  16           HB1      LEU  16   7.764  -4.332  -0.696
  142    HG   LEU  16           HG       LEU  16   9.781  -5.758  -1.151
  143   1HD1  LEU  16          HD11      LEU  16   7.330  -5.693  -2.439
  144   2HD1  LEU  16          HD13      LEU  16   8.476  -5.766  -3.778
  145   3HD1  LEU  16          HD12      LEU  16   8.495  -7.013  -2.531
  146   1HD2  LEU  16          HD21      LEU  16  10.385  -3.523  -2.867
  147   2HD2  LEU  16          HD23      LEU  16  11.395  -4.916  -2.481
  148   3HD2  LEU  16          HD22      LEU  16  10.273  -4.990  -3.840
  149    H    LEU  17           HN       LEU  17   6.710  -1.455  -0.847
  150    HA   LEU  17           HA       LEU  17   4.166  -2.788  -1.180
  151   1HB   LEU  17           HB2      LEU  17   4.973  -0.088  -0.067
  152   2HB   LEU  17           HB1      LEU  17   3.293  -0.611  -0.132
  153    HG   LEU  17           HG       LEU  17   4.718  -1.039   2.039
  154   1HD1  LEU  17          HD11      LEU  17   2.425  -2.122   0.944
  155   2HD1  LEU  17          HD13      LEU  17   3.375  -3.548   1.358
  156   3HD1  LEU  17          HD12      LEU  17   2.980  -2.359   2.600
  157   1HD2  LEU  17          HD21      LEU  17   5.513  -3.355   0.244
  158   2HD2  LEU  17          HD23      LEU  17   6.598  -2.180   0.988
  159   3HD2  LEU  17          HD22      LEU  17   5.725  -3.336   1.995
  160    H    GLU  18           HN       GLU  18   5.067   0.544  -2.126
  161    HA   GLU  18           HA       GLU  18   3.007   0.876  -4.032
  162   1HB   GLU  18           HB2      GLU  18   4.515   2.672  -4.971
  163   2HB   GLU  18           HB1      GLU  18   4.243   2.793  -3.232
  164   1HG   GLU  18           HG2      GLU  18   6.459   2.665  -2.884
  165   2HG   GLU  18           HG1      GLU  18   6.476   1.068  -3.632
  166    H    GLU  19           HN       GLU  19   5.782  -1.124  -4.179
  167    HA   GLU  19           HA       GLU  19   6.125  -1.025  -7.061
  168   1HB   GLU  19           HB2      GLU  19   7.274  -2.602  -4.813
  169   2HB   GLU  19           HB1      GLU  19   7.293  -3.360  -6.404
  170   1HG   GLU  19           HG2      GLU  19   8.171  -0.511  -6.219
  171   2HG   GLU  19           HG1      GLU  19   9.271  -1.751  -5.616
  172    H    GLU  20           HN       GLU  20   5.050  -3.663  -4.890
  173    HA   GLU  20           HA       GLU  20   3.935  -5.315  -6.879
  174   1HB   GLU  20           HB2      GLU  20   2.839  -4.894  -4.079
  175   2HB   GLU  20           HB1      GLU  20   2.597  -6.315  -5.096
  176   1HG   GLU  20           HG2      GLU  20   5.193  -5.341  -3.880
  177   2HG   GLU  20           HG1      GLU  20   4.361  -6.864  -3.561
  178    H    LEU  21           HN       LEU  21   2.427  -2.675  -5.036
  179    HA   LEU  21           HA       LEU  21  -0.139  -2.867  -6.345
  180   1HB   LEU  21           HB2      LEU  21   1.271  -0.727  -4.751
  181   2HB   LEU  21           HB1      LEU  21  -0.300  -0.422  -5.496
  182    HG   LEU  21           HG       LEU  21  -1.377  -2.029  -4.159
  183   1HD1  LEU  21          HD12      LEU  21   0.320  -3.832  -4.593
  184   2HD1  LEU  21          HD11      LEU  21   1.342  -3.111  -3.349
  185   3HD1  LEU  21          HD13      LEU  21  -0.230  -3.784  -2.921
  186   1HD2  LEU  21          HD22      LEU  21   0.303  -0.099  -2.940
  187   2HD2  LEU  21          HD21      LEU  21  -1.164  -0.815  -2.275
  188   3HD2  LEU  21          HD23      LEU  21   0.403  -1.552  -1.946
  189    H    GLY  22           HN       GLY  22   2.868  -1.189  -7.012
  190   1HA   GLY  22           HA2      GLY  22   1.725   0.339  -9.220
  191   2HA   GLY  22           HA1      GLY  22   3.426   0.313  -8.750
  192    H    HIS  23           HN       HIS  23   2.553  -2.840  -8.804
  193    HA   HIS  23           HA       HIS  23   3.452  -3.168 -11.634
  194   1HB   HIS  23           HB2      HIS  23   4.341  -4.355  -9.203
  195   2HB   HIS  23           HB1      HIS  23   3.541  -5.620 -10.136
  196    HD1  HIS  23           HD1      HIS  23   5.878  -6.711 -10.666
  197    HD2  HIS  23           HD2      HIS  23   5.404  -2.850 -12.163
  198    HE1  HIS  23           HE1      HIS  23   7.754  -6.352 -12.328
  199    H    LEU  24           HN       LEU  24   0.828  -3.518  -9.501
  200    HA   LEU  24           HA       LEU  24  -0.531  -5.459 -11.323
  201   1HB   LEU  24           HB2      LEU  24  -1.471  -4.547  -8.590
  202   2HB   LEU  24           HB1      LEU  24  -2.023  -5.947  -9.510
  203    HG   LEU  24           HG       LEU  24   0.881  -5.774  -8.812
  204   1HD1  LEU  24          HD12      LEU  24  -1.203  -5.638  -6.849
  205   2HD1  LEU  24          HD11      LEU  24  -0.475  -7.242  -6.769
  206   3HD1  LEU  24          HD13      LEU  24   0.533  -5.807  -6.587
  207   1HD2  LEU  24          HD23      LEU  24  -1.154  -7.796  -9.562
  208   2HD2  LEU  24          HD22      LEU  24   0.568  -7.739  -9.939
  209   3HD2  LEU  24          HD21      LEU  24   0.029  -8.323  -8.365
  210    H    THR  25           HN       THR  25  -0.464  -2.241 -10.090
  211    HA   THR  25           HA       THR  25  -2.448  -1.370 -12.032
  212    HB   THR  25           HB       THR  25  -3.826  -2.101 -10.070
  213    HG1  THR  25           HG1      THR  25  -5.072  -0.513 -10.572
  214   1HG2  THR  25          HG21      THR  25  -1.977  -1.480  -8.422
  215   2HG2  THR  25          HG23      THR  25  -2.526   0.187  -8.590
  216   3HG2  THR  25          HG22      THR  25  -3.618  -1.044  -7.954
  217    H    THR  26           HN       THR  26  -2.832   1.226 -11.225
  218    HA   THR  26           HA       THR  26  -0.022   2.228 -10.977
  219    HB   THR  26           HB       THR  26  -1.002   4.340 -12.002
  220    HG1  THR  26           HG1      THR  26  -3.024   3.491 -13.250
  221   1HG2  THR  26          HG23      THR  26  -0.340   1.820 -13.218
  222   2HG2  THR  26          HG22      THR  26  -1.583   2.620 -14.179
  223   3HG2  THR  26          HG21      THR  26  -0.064   3.448 -13.837
  224    H    LEU  27           HN       LEU  27   0.391   2.673  -9.016
  225    HA   LEU  27           HA       LEU  27  -1.386   3.350  -6.938
  226   1HB   LEU  27           HB2      LEU  27   1.528   3.585  -7.485
  227   2HB   LEU  27           HB1      LEU  27   0.880   4.501  -6.146
  228    HG   LEU  27           HG       LEU  27  -0.078   1.724  -6.296
  229   1HD1  LEU  27          HD13      LEU  27   2.321   1.615  -7.067
  230   2HD1  LEU  27          HD12      LEU  27   2.778   2.299  -5.507
  231   3HD1  LEU  27          HD11      LEU  27   1.986   0.726  -5.584
  232   1HD2  LEU  27          HD21      LEU  27   0.505   3.797  -4.323
  233   2HD2  LEU  27          HD23      LEU  27  -0.583   2.409  -4.202
  234   3HD2  LEU  27          HD22      LEU  27   1.147   2.217  -3.833
  235    H    THR  28           HN       THR  28  -0.343   5.793  -5.896
  236    HA   THR  28           HA       THR  28  -1.066   7.765  -7.992
  237    HB   THR  28           HB       THR  28  -2.455   7.230  -5.424
  238    HG1  THR  28           HG1      THR  28  -3.577   6.618  -7.155
  239   1HG2  THR  28          HG21      THR  28  -2.014   9.942  -6.644
  240   2HG2  THR  28          HG23      THR  28  -3.475   9.588  -5.721
  241   3HG2  THR  28          HG22      THR  28  -1.893   9.465  -4.951
  242    H    ASP  29           HN       ASP  29   0.252   7.322  -4.670
  243    HA   ASP  29           HA       ASP  29   2.433   9.115  -5.212
  244   1HB   ASP  29           HB2      ASP  29  -0.030  10.364  -4.478
  245   2HB   ASP  29           HB1      ASP  29   1.090  10.513  -3.121
  246    H    VAL  30           HN       VAL  30   2.683   6.719  -4.252
  247    HA   VAL  30           HA       VAL  30   2.244   6.334  -1.485
  248    HB   VAL  30           HB       VAL  30   3.423   4.373  -1.706
  249   1HG1  VAL  30          HG11      VAL  30   1.789   5.040  -3.766
  250   2HG1  VAL  30          HG13      VAL  30   3.268   4.637  -4.639
  251   3HG1  VAL  30          HG12      VAL  30   2.522   3.447  -3.572
  252   1HG2  VAL  30          HG21      VAL  30   5.340   6.077  -3.128
  253   2HG2  VAL  30          HG23      VAL  30   5.635   4.631  -2.162
  254   3HG2  VAL  30          HG22      VAL  30   5.172   4.481  -3.857
  255    H    VAL  31           HN       VAL  31   3.722   6.372   0.291
  256    HA   VAL  31           HA       VAL  31   5.967   8.307  -0.068
  257    HB   VAL  31           HB       VAL  31   3.658   8.753   1.425
  258   1HG1  VAL  31          HG12      VAL  31   4.623   7.027   3.070
  259   2HG1  VAL  31          HG11      VAL  31   5.870   8.224   3.418
  260   3HG1  VAL  31          HG13      VAL  31   4.176   8.595   3.740
  261   1HG2  VAL  31          HG21      VAL  31   5.528  10.304   0.565
  262   2HG2  VAL  31          HG23      VAL  31   4.756  10.749   2.087
  263   3HG2  VAL  31          HG22      VAL  31   6.340   9.972   2.096
  264    H    LYS  32           HN       LYS  32   7.740   8.000   1.446
  265    HA   LYS  32           HA       LYS  32   7.999   5.125   2.151
  266   1HB   LYS  32           HB2      LYS  32  10.421   5.473   1.899
  267   2HB   LYS  32           HB1      LYS  32   9.548   5.967   0.446
  268   1HG   LYS  32           HG2      LYS  32  10.843   7.839   0.678
  269   2HG   LYS  32           HG1      LYS  32   9.531   8.313   1.762
  270   1HD   LYS  32           HD2      LYS  32  11.550   6.647   3.077
  271   2HD   LYS  32           HD1      LYS  32  12.203   8.167   2.460
  272   1HE   LYS  32           HE2      LYS  32   9.748   8.877   3.568
  273   2HE   LYS  32           HE1      LYS  32  10.412   7.710   4.706
  274   1HZ   LYS  32           HZ2      LYS  32  12.570   9.165   4.211
  275   2HZ   LYS  32           HZ1      LYS  32  11.378  10.355   3.988
  276   3HZ   LYS  32           HZ3      LYS  32  11.482   9.527   5.465
  277    H    GLY  33           HN       GLY  33   9.352   4.625   4.047
  278   1HA   GLY  33           HA2      GLY  33   9.882   6.599   6.074
  279   2HA   GLY  33           HA1      GLY  33   8.403   5.703   6.435
  280    H    ALA  34           HN       ALA  34  10.414   5.357   8.226
  281    HA   ALA  34           HA       ALA  34  12.422   3.477   7.796
  282   1HB   ALA  34           HB2      ALA  34  10.569   3.824  10.163
  283   2HB   ALA  34           HB1      ALA  34  11.932   2.705  10.181
  284   3HB   ALA  34           HB3      ALA  34  12.214   4.434   9.979
  285    H    ASP  35           HN       ASP  35   9.163   2.596   8.988
  286    HA   ASP  35           HA       ASP  35   9.251   0.174   7.257
  287   1HB   ASP  35           HB2      ASP  35   8.266  -1.080   9.291
  288   2HB   ASP  35           HB1      ASP  35  10.000  -0.758   9.301
  289    H    SER  36           HN       SER  36   7.720   2.890   7.783
  290    HA   SER  36           HA       SER  36   5.003   1.664   7.584
  291   1HB   SER  36           HB2      SER  36   4.724   2.932   9.485
  292   2HB   SER  36           HB1      SER  36   6.007   4.055   9.048
  293    HG   SER  36           HG       SER  36   3.934   5.005   8.869
  294    H    LEU  37           HN       LEU  37   4.709   1.613   5.361
  295    HA   LEU  37           HA       LEU  37   5.404   4.072   3.825
  296   1HB   LEU  37           HB2      LEU  37   6.296   2.126   2.771
  297   2HB   LEU  37           HB1      LEU  37   4.796   1.225   3.000
  298    HG   LEU  37           HG       LEU  37   4.606   3.764   1.456
  299   1HD1  LEU  37          HD13      LEU  37   6.500   1.706   0.773
  300   2HD1  LEU  37          HD12      LEU  37   5.202   1.727  -0.421
  301   3HD1  LEU  37          HD11      LEU  37   6.126   3.193  -0.098
  302   1HD2  LEU  37          HD21      LEU  37   2.874   1.772   2.061
  303   2HD2  LEU  37          HD23      LEU  37   2.732   2.755   0.604
  304   3HD2  LEU  37          HD22      LEU  37   3.497   1.168   0.526
  305    H    SER  38           HN       SER  38   3.793   5.350   2.961
  306    HA   SER  38           HA       SER  38   0.987   4.371   3.370
  307   1HB   SER  38           HB2      SER  38   0.518   6.926   3.211
  308   2HB   SER  38           HB1      SER  38   1.113   6.235   4.707
  309    HG   SER  38           HG       SER  38   2.499   7.848   4.390
  310    H    ALA  39           HN       ALA  39   0.261   3.697   1.479
  311    HA   ALA  39           HA       ALA  39   1.143   5.062  -1.000
  312   1HB   ALA  39           HB1      ALA  39   0.970   2.430  -0.541
  313   2HB   ALA  39           HB3      ALA  39  -0.671   2.711  -1.122
  314   3HB   ALA  39           HB2      ALA  39   0.708   3.122  -2.143
  315    H    ILE  40           HN       ILE  40  -0.432   5.739  -2.582
  316    HA   ILE  40           HA       ILE  40  -3.008   6.511  -1.282
  317    HB   ILE  40           HB       ILE  40  -1.510   7.687  -3.645
  318   1HG1  ILE  40          HG12      ILE  40  -1.461   9.699  -2.202
  319   2HG1  ILE  40          HG11      ILE  40  -2.318   8.813  -0.940
  320   1HG2  ILE  40          HG22      ILE  40  -4.315   8.110  -2.625
  321   2HG2  ILE  40          HG21      ILE  40  -3.449   9.417  -3.434
  322   3HG2  ILE  40          HG23      ILE  40  -3.766   7.907  -4.288
  323   1HD1  ILE  40          HD11      ILE  40   0.215   7.650  -2.045
  324   2HD1  ILE  40          HD13      ILE  40   0.325   8.982  -0.894
  325   3HD1  ILE  40          HD12      ILE  40  -0.481   7.483  -0.434
  326    H    LEU  41           HN       LEU  41  -4.341   4.796  -1.707
  327    HA   LEU  41           HA       LEU  41  -4.488   3.820  -4.517
  328   1HB   LEU  41           HB2      LEU  41  -5.065   2.549  -1.862
  329   2HB   LEU  41           HB1      LEU  41  -5.872   1.953  -3.312
  330    HG   LEU  41           HG       LEU  41  -2.868   2.256  -3.025
  331   1HD1  LEU  41          HD12      LEU  41  -3.870   0.481  -1.575
  332   2HD1  LEU  41          HD11      LEU  41  -4.568  -0.247  -3.022
  333   3HD1  LEU  41          HD13      LEU  41  -2.818  -0.163  -2.834
  334   1HD2  LEU  41          HD22      LEU  41  -4.666   1.081  -5.158
  335   2HD2  LEU  41          HD21      LEU  41  -3.549   2.435  -5.332
  336   3HD2  LEU  41          HD23      LEU  41  -2.923   0.803  -5.095
  337    HA   PRO  42           HA       PRO  42  -8.281   6.045  -4.563
  338   1HB   PRO  42           HB2      PRO  42  -9.043   5.232  -7.065
  339   2HB   PRO  42           HB1      PRO  42  -7.935   6.542  -6.709
  340   1HG   PRO  42           HG2      PRO  42  -7.352   3.816  -7.749
  341   2HG   PRO  42           HG1      PRO  42  -6.387   5.292  -7.926
  342   1HD   PRO  42           HD2      PRO  42  -5.857   3.170  -6.107
  343   2HD   PRO  42           HD1      PRO  42  -5.104   4.771  -6.091
  344    H    GLY  43           HN       GLY  43 -10.448   5.395  -5.927
  345   1HA   GLY  43           HA2      GLY  43 -11.369   2.982  -4.530
  346   2HA   GLY  43           HA1      GLY  43 -12.400   4.333  -4.996
  347    H    ASP  44           HN       ASP  44 -10.008   3.226  -7.225
  348    HA   ASP  44           HA       ASP  44 -11.925   1.536  -8.677
  349   1HB   ASP  44           HB2      ASP  44 -11.272   2.875 -10.808
  350   2HB   ASP  44           HB1      ASP  44 -12.487   3.570  -9.735
  351    H    ILE  45           HN       ILE  45  -9.470   0.996  -7.265
  352    HA   ILE  45           HA       ILE  45  -7.701   0.220  -9.545
  353    HB   ILE  45           HB       ILE  45  -7.008   1.930  -7.588
  354   1HG1  ILE  45          HG12      ILE  45  -5.266  -0.271  -8.719
  355   2HG1  ILE  45          HG11      ILE  45  -5.496   1.355  -9.367
  356   1HG2  ILE  45          HG23      ILE  45  -7.449  -0.335  -6.068
  357   2HG2  ILE  45          HG22      ILE  45  -5.709  -0.359  -6.299
  358   3HG2  ILE  45          HG21      ILE  45  -6.487   1.053  -5.577
  359   1HD1  ILE  45          HD11      ILE  45  -4.709   2.051  -6.920
  360   2HD1  ILE  45          HD13      ILE  45  -3.931   0.474  -6.974
  361   3HD1  ILE  45          HD12      ILE  45  -3.534   1.695  -8.184
  362    H    ALA  46           HN       ALA  46  -6.201  -1.507  -7.776
  363    HA   ALA  46           HA       ALA  46  -8.149  -3.719  -7.535
  364   1HB   ALA  46           HB2      ALA  46  -5.545  -3.682  -8.474
  365   2HB   ALA  46           HB1      ALA  46  -5.336  -4.232  -6.812
  366   3HB   ALA  46           HB3      ALA  46  -6.387  -5.126  -7.911
  367    H    GLU  47           HN       GLU  47  -8.612  -1.717  -5.806
  368    HA   GLU  47           HA       GLU  47  -7.280  -1.415  -3.421
  369   1HB   GLU  47           HB2      GLU  47 -10.242  -1.871  -3.506
  370   2HB   GLU  47           HB1      GLU  47  -9.345  -0.816  -2.429
  371   1HG   GLU  47           HG2      GLU  47  -9.935   0.824  -3.881
  372   2HG   GLU  47           HG1      GLU  47  -8.600   0.202  -4.842
  373    H    ASP  48           HN       ASP  48  -9.790  -3.854  -3.976
  374    HA   ASP  48           HA       ASP  48  -9.332  -5.303  -1.571
  375   1HB   ASP  48           HB2      ASP  48 -10.298  -6.572  -4.092
  376   2HB   ASP  48           HB1      ASP  48 -10.817  -6.870  -2.442
  377    H    ASP  49           HN       ASP  49  -7.771  -5.304  -4.654
  378    HA   ASP  49           HA       ASP  49  -6.427  -7.865  -4.332
  379   1HB   ASP  49           HB2      ASP  49  -6.880  -6.103  -6.424
  380   2HB   ASP  49           HB1      ASP  49  -5.146  -5.951  -6.131
  381    H    ILE  50           HN       ILE  50  -5.889  -4.630  -3.264
  382    HA   ILE  50           HA       ILE  50  -3.018  -5.057  -2.817
  383    HB   ILE  50           HB       ILE  50  -4.767  -2.788  -1.829
  384   1HG1  ILE  50          HG12      ILE  50  -5.034  -2.599  -4.154
  385   2HG1  ILE  50          HG11      ILE  50  -3.600  -1.617  -3.871
  386   1HG2  ILE  50          HG23      ILE  50  -2.485  -3.157  -0.809
  387   2HG2  ILE  50          HG22      ILE  50  -1.802  -2.854  -2.407
  388   3HG2  ILE  50          HG21      ILE  50  -2.706  -1.587  -1.580
  389   1HD1  ILE  50          HD12      ILE  50  -2.235  -3.733  -4.336
  390   2HD1  ILE  50          HD11      ILE  50  -3.731  -4.437  -4.948
  391   3HD1  ILE  50          HD13      ILE  50  -3.049  -3.007  -5.723
  392    H    THR  51           HN       THR  51  -5.895  -4.358  -0.839
  393    HA   THR  51           HA       THR  51  -4.881  -4.769   1.710
  394    HB   THR  51           HB       THR  51  -7.535  -5.467   0.444
  395    HG1  THR  51           HG1      THR  51  -6.639  -3.281   1.139
  396   1HG2  THR  51          HG22      THR  51  -6.498  -6.252   3.130
  397   2HG2  THR  51          HG21      THR  51  -8.144  -5.623   3.059
  398   3HG2  THR  51          HG23      THR  51  -7.702  -7.044   2.113
  399    H    ALA  52           HN       ALA  52  -5.585  -7.106  -0.801
  400    HA   ALA  52           HA       ALA  52  -5.059  -9.402   0.936
  401   1HB   ALA  52           HB2      ALA  52  -5.864  -9.004  -1.929
  402   2HB   ALA  52           HB1      ALA  52  -5.221 -10.565  -1.412
  403   3HB   ALA  52           HB3      ALA  52  -6.681  -9.922  -0.661
  404    H    VAL  53           HN       VAL  53  -3.461  -7.630  -1.686
  405    HA   VAL  53           HA       VAL  53  -1.204  -9.476  -1.790
  406    HB   VAL  53           HB       VAL  53  -2.028  -6.968  -3.159
  407   1HG1  VAL  53          HG13      VAL  53   0.867  -7.725  -2.728
  408   2HG1  VAL  53          HG12      VAL  53   0.343  -6.808  -4.139
  409   3HG1  VAL  53          HG11      VAL  53   0.112  -6.145  -2.522
  410   1HG2  VAL  53          HG23      VAL  53  -2.234  -9.371  -3.987
  411   2HG2  VAL  53          HG22      VAL  53  -1.477  -8.232  -5.101
  412   3HG2  VAL  53          HG21      VAL  53  -0.480  -9.351  -4.171
  413    H    LEU  54           HN       LEU  54  -1.259  -5.992  -1.050
  414    HA   LEU  54           HA       LEU  54   1.193  -5.697   0.098
  415   1HB   LEU  54           HB2      LEU  54  -1.454  -4.517   0.932
  416   2HB   LEU  54           HB1      LEU  54   0.037  -4.079   1.756
  417    HG   LEU  54           HG       LEU  54  -0.634  -3.692  -1.132
  418   1HD1  LEU  54          HD13      LEU  54  -0.955  -2.085   1.113
  419   2HD1  LEU  54          HD12      LEU  54   0.524  -1.482   0.367
  420   3HD1  LEU  54          HD11      LEU  54  -0.974  -1.535  -0.559
  421   1HD2  LEU  54          HD22      LEU  54   1.977  -3.980   0.198
  422   2HD2  LEU  54          HD21      LEU  54   1.569  -4.127  -1.511
  423   3HD2  LEU  54          HD23      LEU  54   1.820  -2.533  -0.798
  424    H    CYS  55           HN       CYS  55  -1.670  -6.950   1.844
  425    HA   CYS  55           HA       CYS  55  -0.306  -7.257   4.339
  426   1HB   CYS  55           HB2      CYS  55  -2.154  -8.734   4.965
  427   2HB   CYS  55           HB1      CYS  55  -2.786  -7.343   4.078
  428    HG   CYS  55           HG       CYS  55  -3.699  -9.756   3.176
  429    H    PHE  56           HN       PHE  56  -0.711  -9.533   1.609
  430    HA   PHE  56           HA       PHE  56   0.749 -11.570   3.045
  431   1HB   PHE  56           HB2      PHE  56  -0.740 -11.415   0.588
  432   2HB   PHE  56           HB1      PHE  56   0.828 -12.157   0.280
  433    HD1  PHE  56           HD2      PHE  56   1.580 -13.876   2.226
  434    HD2  PHE  56           HD1      PHE  56  -2.467 -12.832   1.232
  435    HE1  PHE  56           HE2      PHE  56   0.783 -15.986   3.256
  436    HE2  PHE  56           HE1      PHE  56  -3.264 -14.943   2.262
  437    HZ   PHE  56           HZ       PHE  56  -1.639 -16.519   3.274
  438    H    VAL  57           HN       VAL  57   1.710  -8.732   1.865
  439    HA   VAL  57           HA       VAL  57   4.337  -9.737   0.926
  440    HB   VAL  57           HB       VAL  57   3.113  -6.964   0.718
  441   1HG1  VAL  57          HG12      VAL  57   5.812  -8.009   0.328
  442   2HG1  VAL  57          HG11      VAL  57   5.185  -7.228  -1.124
  443   3HG1  VAL  57          HG13      VAL  57   5.258  -6.336   0.396
  444   1HG2  VAL  57          HG23      VAL  57   2.810  -9.355  -0.880
  445   2HG2  VAL  57          HG22      VAL  57   2.038  -7.783  -1.085
  446   3HG2  VAL  57          HG21      VAL  57   3.608  -8.096  -1.824
  447    H    ILE  58           HN       ILE  58   2.701  -8.678   3.629
  448    HA   ILE  58           HA       ILE  58   5.252  -8.036   4.985
  449    HB   ILE  58           HB       ILE  58   3.374  -6.289   6.160
  450   1HG1  ILE  58          HG12      ILE  58   3.245  -6.297   3.141
  451   2HG1  ILE  58          HG11      ILE  58   1.917  -6.213   4.296
  452   1HG2  ILE  58          HG23      ILE  58   5.925  -6.165   5.697
  453   2HG2  ILE  58          HG22      ILE  58   5.454  -5.438   4.160
  454   3HG2  ILE  58          HG21      ILE  58   4.997  -4.666   5.679
  455   1HD1  ILE  58          HD13      ILE  58   3.992  -4.033   3.903
  456   2HD1  ILE  58          HD12      ILE  58   2.379  -4.017   3.193
  457   3HD1  ILE  58          HD11      ILE  58   2.571  -3.951   4.945
  458    H    GLU  59           HN       GLU  59   1.703  -8.256   5.623
  459    HA   GLU  59           HA       GLU  59   1.979 -10.541   7.316
  460   1HB   GLU  59           HB2      GLU  59   1.664  -9.532   9.487
  461   2HB   GLU  59           HB1      GLU  59   3.098  -8.824   8.750
  462   1HG   GLU  59           HG2      GLU  59   2.040  -6.789   8.328
  463   2HG   GLU  59           HG1      GLU  59   0.429  -7.506   8.363
  464    H    ALA  60           HN       ALA  60  -0.159  -9.495   9.114
  465    HA   ALA  60           HA       ALA  60  -2.390  -9.019   7.226
  466   1HB   ALA  60           HB2      ALA  60  -1.904 -11.575   7.735
  467   2HB   ALA  60           HB1      ALA  60  -2.748 -11.208   9.241
  468   3HB   ALA  60           HB3      ALA  60  -3.561 -10.971   7.694
  469    H    ASP  61           HN       ASP  61  -1.102  -7.482   9.409
  470    HA   ASP  61           HA       ASP  61  -3.561  -6.791  10.844
  471   1HB   ASP  61           HB2      ASP  61  -2.009  -8.688  12.032
  472   2HB   ASP  61           HB1      ASP  61  -1.336  -7.207  12.710
  473    H    GLN  62           HN       GLN  62  -1.146  -5.682   9.127
  474    HA   GLN  62           HA       GLN  62  -0.881  -3.209  10.763
  475   1HB   GLN  62           HB2      GLN  62   1.219  -4.923   9.637
  476   2HB   GLN  62           HB1      GLN  62   1.420  -3.210   9.298
  477   1HG   GLN  62           HG2      GLN  62   2.482  -4.042  11.467
  478   2HG   GLN  62           HG1      GLN  62   1.407  -2.652  11.623
  479   1HE2  GLN  62          HE22      GLN  62  -0.574  -4.350  13.972
  480   2HE2  GLN  62          HE21      GLN  62   0.100  -2.888  13.435
  481    H    ILE  63           HN       ILE  63  -2.403  -4.339   8.253
  482    HA   ILE  63           HA       ILE  63  -1.686  -2.091   6.422
  483    HB   ILE  63           HB       ILE  63  -2.438  -4.910   5.993
  484   1HG1  ILE  63          HG12      ILE  63  -1.453  -3.715   3.656
  485   2HG1  ILE  63          HG11      ILE  63  -0.647  -2.871   4.980
  486   1HG2  ILE  63          HG23      ILE  63  -3.911  -2.698   4.601
  487   2HG2  ILE  63          HG22      ILE  63  -3.445  -4.126   3.675
  488   3HG2  ILE  63          HG21      ILE  63  -4.487  -4.294   5.088
  489   1HD1  ILE  63          HD11      ILE  63  -0.808  -5.776   5.371
  490   2HD1  ILE  63          HD13      ILE  63   0.131  -5.308   3.951
  491   3HD1  ILE  63          HD12      ILE  63   0.573  -4.693   5.546
  492    H    THR  64           HN       THR  64  -3.290  -0.632   5.843
  493    HA   THR  64           HA       THR  64  -6.106  -1.163   6.439
  494    HB   THR  64           HB       THR  64  -4.818   1.155   7.888
  495    HG1  THR  64           HG1      THR  64  -4.789  -0.157   9.703
  496   1HG2  THR  64          HG22      THR  64  -7.451   0.504   7.341
  497   2HG2  THR  64          HG21      THR  64  -7.217  -0.131   8.970
  498   3HG2  THR  64          HG23      THR  64  -6.910   1.573   8.635
  499    H    PHE  65           HN       PHE  65  -7.434   0.207   5.219
  500    HA   PHE  65           HA       PHE  65  -5.978   2.187   3.524
  501   1HB   PHE  65           HB2      PHE  65  -8.426   0.495   3.036
  502   2HB   PHE  65           HB1      PHE  65  -8.127   1.945   2.079
  503    HD1  PHE  65           HD2      PHE  65  -5.785  -0.640   3.470
  504    HD2  PHE  65           HD1      PHE  65  -7.363   1.265  -0.049
  505    HE1  PHE  65           HE2      PHE  65  -4.194  -1.909   2.060
  506    HE2  PHE  65           HE1      PHE  65  -5.774  -0.007  -1.453
  507    HZ   PHE  65           HZ       PHE  65  -4.189  -1.593  -0.396
  508    H    GLU  66           HN       GLU  66  -6.270   4.226   4.242
  509    HA   GLU  66           HA       GLU  66  -8.829   4.921   5.616
  510   1HB   GLU  66           HB2      GLU  66  -6.213   5.292   6.408
  511   2HB   GLU  66           HB1      GLU  66  -6.609   6.857   5.694
  512   1HG   GLU  66           HG2      GLU  66  -7.141   6.711   8.143
  513   2HG   GLU  66           HG1      GLU  66  -8.545   7.089   7.143
  514    H    THR  67           HN       THR  67 -10.185   5.632   3.928
  515    HA   THR  67           HA       THR  67  -9.547   6.840   1.542
  516    HB   THR  67           HB       THR  67 -11.874   6.387   2.152
  517    HG1  THR  67           HG1      THR  67 -11.841   7.849   0.550
  518   1HG2  THR  67          HG23      THR  67 -11.397   7.358   4.549
  519   2HG2  THR  67          HG22      THR  67 -11.920   8.879   3.824
  520   3HG2  THR  67          HG21      THR  67 -13.013   7.495   3.857
  521    H    VAL  68           HN       VAL  68  -9.134   8.984   0.819
  522    HA   VAL  68           HA       VAL  68  -8.541  10.958   2.931
  523    HB   VAL  68           HB       VAL  68  -6.421  11.547   1.765
  524   1HG1  VAL  68          HG12      VAL  68  -6.523   9.902   3.684
  525   2HG1  VAL  68          HG11      VAL  68  -6.524   8.606   2.488
  526   3HG1  VAL  68          HG13      VAL  68  -5.137   9.688   2.615
  527   1HG2  VAL  68          HG23      VAL  68  -7.101  10.663  -0.462
  528   2HG2  VAL  68          HG22      VAL  68  -5.543  10.019   0.057
  529   3HG2  VAL  68          HG21      VAL  68  -6.994   9.023   0.177
  530    H    GLU  69           HN       GLU  69 -10.793  10.842   1.237
  531    HA   GLU  69           HA       GLU  69 -10.772  12.129  -1.194
  532   1HB   GLU  69           HB2      GLU  69 -12.880  11.468  -0.269
  533   2HB   GLU  69           HB1      GLU  69 -12.663  12.514   1.139
  534   1HG   GLU  69           HG2      GLU  69 -12.711  14.497  -0.367
  535   2HG   GLU  69           HG1      GLU  69 -13.026  13.425  -1.732
   
  No H/Q in entry =         535