*HEADER    TOXIN                                   25-AUG-99   1CW5              
*TITLE     SOLUTION STRUCTURE OF CARNOBACTERIOCIN B2                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TYPE IIA BACTERIOCIN CARNOBACTERIOCIN B2;                  
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CARNOBACTERIUM PISCICOLA;                       
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    ANTIMICROBIAL PEPTIDE, HELIX, BACTERIOCIN                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Y.WANG, M.E.HENZ, N.L.F.GALLAGHER, S.CHAI, L.Z.YAN,                   
*AUTHOR   2 A.C.GIBBS, M.E.STILES, D.S.WISHART, J.C.VEDERAS                      
*REVDAT   1   07-SEP-99 1CW5    0                                                
set message=off echo=off end 

! 1) NH-NH, 2) All-Ring, 3) HA-NH, 4) SC-NH,
! 5) SC-HA, 6) H-bond,   7) SC-SC

                             ! 1) NH-NH   

! HN(i)-NH(i+1)
assign (resid 5 and name HN )(resid 6 and name HN )   2.5 0.7 0.5
assign (resid 6 and name HN )(resid 7 and name HN )   2.5 0.7 0.5 
assign (resid 7 and name HN )(resid 8 and name HN )   4.5 2.7 0.5
assign (resid 8 and name HN )(resid 9 and name HN )   3.5 1.7 0.5
assign (resid 16 and name HN )(resid 17 and name HN ) 3.5 1.7 0.5
assign (resid 18 and name HN )(resid 19 and name HN ) 2.5 0.7 0.5
assign (resid 19 and name HN )(resid 20 and name HN ) 2.5 0.7 0.5
assign (resid 21 and name HN )(resid 22 and name HN ) 2.5 0.7 0.5
assign (resid 23 and name HN )(resid 24 and name HN ) 2.5 0.7 0.5 
assign (resid 24 and name HN )(resid 25 and name HN ) 2.5 0.7 0.5
assign (resid 25 and name HN )(resid 26 and name HN ) 2.5 0.7 0.5
assign (resid 26 and name HN )(resid 27 and name HN ) 2.5 0.7 0.5
assign (resid 27 and name HN )(resid 28 and name HN ) 2.5 0.7 0.5
assign (resid 28 and name HN )(resid 29 and name HN ) 2.5 0.7 0.5
assign (resid 30 and name HN )(resid 31 and name HN ) 2.5 0.7 0.5
assign (resid 32 and name HN )(resid 33 and name HN ) 2.5 0.7 0.5
assign (resid 33 and name HN )(resid 34 and name HN ) 2.5 0.7 0.5
assign (resid 34 and name HN )(resid 35 and name HN ) 2.5 0.7 0.5
assign (resid 35 and name HN )(resid 36 and name HN ) 2.5 0.7 0.5
assign (resid 36 and name HN )(resid 37 and name HN ) 2.5 0.7 0.5
assign (resid 37 and name HN )(resid 38 and name HN ) 2.5 0.7 0.5
assign (resid 38 and name HN )(resid 39 and name HN ) 2.5 0.7 0.5
assign (resid 39 and name HN )(resid 40 and name HN ) 2.5 0.7 0.5
assign (resid 40 and name HN )(resid 41 and name HN ) 2.5 0.7 0.5
assign (resid 41 and name HN )(resid 42 and name HN ) 2.5 0.7 0.5
assign (resid 42 and name HN )(resid 43 and name HN ) 2.5 0.7 0.5
assign (resid 43 and name HN )(resid 44 and name HN ) 2.5 0.7 0.5
assign (resid 44 and name HN )(resid 45 and name HN ) 2.5 0.7 0.5
assign (resid 45 and name HN )(resid 46 and name HN ) 2.5 0.7 0.5
assign (resid 45 and name HN )(resid 46 and name HN ) 2.5 0.7 0.5

! HN(i)-NH(i+2)
assign (resid 24 and name HN )(resid 26 and name HN ) 3.5 1.7 0.8
assign (resid 26 and name HN )(resid 28 and name HN ) 3.5 1.7 0.8
assign (resid 34 and name HN )(resid 36 and name HN ) 3.5 1.7 0.8
assign (resid 38 and name HN )(resid 40 and name HN ) 3.5 1.7 0.8
assign (resid 39 and name HN )(resid 41 and name HN ) 3.5 1.7 0.8

! HN(i)-NH(i+3)
assign (resid 22 and name HN )(resid 25 and name HN ) 4.5 2.7 0.5
assign (resid 23 and name HN )(resid 26 and name HN ) 4.5 2.7 0.5
assign (resid 28 and name HN )(resid 31 and name HN ) 4.5 2.7 0.5
assign (resid 31 and name HN )(resid 34 and name HN ) 4.5 2.7 0.5
assign (resid 35 and name HN )(resid 38 and name HN ) 4.5 2.7 0.5
 
                            ! 2) All - Ring  

assign (resid  1 and name HG1*)(resid  3 and name HD* ) 4.5 2.7 1.5
assign (resid  1 and name HG2*)(resid  3 and name HD* ) 4.5 2.7 1.5
assign (resid  1 and name HG1*)(resid  3 and name HE* ) 4.5 2.7 1.5
assign (resid  1 and name HG2*)(resid  3 and name HE* ) 4.5 2.7 1.5
assign (resid  7 and name HG1*)(resid  3 and name HD* ) 4.5 2.7 1.5
assign (resid  7 and name HB2*)(resid  3 and name HD* ) 4.5 2.7 1.5
assign (resid  7 and name HG1*)(resid  3 and name HE* ) 4.5 2.7 1.5
assign (resid  7 and name HB2*)(resid  3 and name HE* ) 4.5 2.7 1.5
assign (resid  7 and name HB  )(resid  3 and name HD* ) 4.5 2.7 1.5
assign (resid  3 and name HB1 )(resid  3 and name HD* ) 3.5 1.7 0.5
assign (resid  3 and name HB2 )(resid  3 and name HD* ) 3.5 1.7 0.5
assign (resid  7 and name HB  )(resid  3 and name HD* ) 4.5 2.7 1.5



assign (resid  5 and name HB1 )(resid 5 and name HD2* ) 4.5 2.7 0.5
assign (resid  5 and name HB2 )(resid 5 and name HD2* ) 4.5 2.7 0.5
assign (resid 18 and name HN )(resid  18 and name HE3 ) 3.5 1.7 0.5
assign (resid 18 and name HB1 )(resid  18 and name HN ) 3.5 1.7 0.5
assign (resid 18 and name HB2 )(resid  18 and name HN ) 3.5 1.7 0.5
assign (resid 22 and name HN )(resid  18 and name HD1 ) 3.5 1.7 0.5
assign (resid 22 and name HA )(resid 22 and name HD* )  4.5 2.7 0.5
assign (resid 22 and name HB* )(resid 22 and name HD* ) 4.5 2.7 0.5
assign (resid 23 and name HA )(resid 22 and name HE* )  4.5 2.7 1.0
assign (resid 25 and name HB* )(resid 22 and name HE* ) 4.5 2.7 1.5
assign (resid 22 and name HB* )(resid 26 and name HE* ) 4.5 2.7 2.0
assign (resid 26 and name HA )(resid 26 and name HD* ) 3.5 1.7 0.5
assign (resid 26 and name HB1 )(resid 26 and name HD* ) 3.5 1.7 0.5
assign (resid 26 and name HB2 )(resid 26 and name HD* ) 3.5 1.7 0.5
assign (resid 26 and name HN )(resid 26 and name HD* ) 3.5 1.7 0.5
assign (resid 27 and name HN )(resid 26 and name HD* ) 4.5 2.7 0.5
assign (resid 27 and name HG2* )(resid 26 and name HE* ) 4.5 2.7 0.5
assign (resid 30 and name HG** )(resid 26 and name HE* ) 4.5 2.7 1.5
assign (resid 30 and name HG** )(resid 26 and name HE* ) 4.5 2.7 1.5
assign (resid 27 and name HG2* )(resid 31 and name HD22 ) 4.5 2.7 1.5
assign (resid 27 and name HG2* )(resid 31 and name HD21 ) 4.5 2.7 1.5
assign (resid 31 and name HB* )(resid 31 and name HD2* ) 4.5 2.7 0.5
assign (resid 33 and name HA )(resid 33 and name HD* ) 3.5 1.7 0.5
assign (resid 33 and name HN )(resid 33 and name HD* ) 3.5 1.7 0.5
assign (resid 33 and name HB1 )(resid 33 and name HD* ) 3.5 1.7 0.5
assign (resid 33 and name HB2 )(resid 33 and name HD* ) 3.5 1.7 0.5
assign (resid 34 and name HN )(resid 33 and name HD* ) 3.5 1.7 1.5
assign (resid 34 and name HA )(resid 33 and name HD* ) 3.5 1.7 1.5
assign (resid 34 and name HG* )(resid 33 and name HE* ) 3.5 1.7 1.5
assign (resid 34 and name HG* )(resid 33 and name HD* ) 3.5 1.7 1.5
assign (resid 37 and name HG** )(resid 33 and name HD* ) 3.5 1.7 1.5 
assign (resid 37 and name HG1* )(resid 33 and name HE* ) 3.5 1.7 1.5
assign (resid 37 and name HG2* )(resid 33 and name HE* ) 3.5 1.7 1.5

                             ! 3) HA-HN 

! intra resid
assign (resid 2 and name HA )(resid 2 and name HN ) 3.5 1.7 0.5  
assign (resid 3 and name HA )(resid 3 and name HN ) 3.5 1.7 0.5
assign (resid 5 and name HA )(resid 5 and name HN ) 3.5 1.7 0.5
assign (resid 6 and name HA* )(resid 6 and name HN ) 3.5 1.7 0.5
assign (resid 13 and name HA )(resid 13 and name HN ) 2.5 0.7 0.5 
assign (resid 16 and name HA )(resid 16 and name HN ) 3.5 1.7 0.5 
assign (resid 17 and name HA )(resid 17 and name HN ) 4.5 2.7 0.5
assign (resid 18 and name HA )(resid 18 and name HN ) 3.5 1.7 0.5
assign (resid 19 and name HA* )(resid 19 and name HN ) 3.5 1.7 0.5
assign (resid 20 and name HA )(resid 20 and name HN ) 3.5 1.7 0.5 
assign (resid 21 and name HA )(resid 21 and name HN ) 3.5 1.7 0.5
assign (resid 22 and name HA )(resid 22 and name HN ) 3.5 1.7 0.5 
assign (resid 23 and name HA )(resid 23 and name HN ) 3.5 1.7 0.5
assign (resid 24 and name HA )(resid 24 and name HN ) 3.5 1.7 0.5 
assign (resid 25 and name HA )(resid 25 and name HN ) 3.5 1.7 0.5
assign (resid 26 and name HA )(resid 26 and name HN ) 4.5 2.7 0.5
assign (resid 27 and name HA )(resid 27 and name HN ) 2.5 0.7 0.5
assign (resid 28 and name HA )(resid 28 and name HN ) 3.5 1.7 0.5 
assign (resid 31 and name HA )(resid 31 and name HN ) 3.5 1.7 0.5 
assign (resid 34 and name HA )(resid 34 and name HN ) 4.5 2.7 0.5
assign (resid 36 and name HA1 )(resid 36 and name HN ) 4.5 2.7 0.5
assign (resid 36 and name HA2 )(resid 36 and name HN ) 4.5 2.7 0.5
assign (resid 37 and name HA )(resid 37 and name HN ) 3.5 1.7 0.5
assign (resid 38 and name HA )(resid 38 and name HN ) 3.5 1.7 0.5
assign (resid 39 and name HA )(resid 39 and name HN ) 3.5 1.7 0.5
assign (resid 40 and name HA* )(resid 40 and name HN ) 3.5 1.7 0.5 
assign (resid 41 and name HA )(resid 41 and name HN ) 3.5 1.7 0.5 
assign (resid 42 and name HA* )(resid 42 and name HN ) 3.5 1.7 0.5
assign (resid 43 and name HA )(resid 43 and name HN ) 2.5 0.7 0.5  
assign (resid 44 and name HA )(resid 44 and name HN ) 3.5 1.7 0.5
assign (resid 45 and name HA1 )(resid 45 and name HN ) 3.5 1.7 0.5
assign (resid 45 and name HA2 )(resid 45 and name HN ) 3.5 1.7 0.5
assign (resid 46 and name HA )(resid 46 and name HN ) 3.5 1.7 0.5
assign (resid 47 and name HA )(resid 47 and name HN ) 3.5 1.7 0.5

! HA(i)-HN(i+1)
assign (resid  1 and name HA  )(resid  2 and name HN ) 3.5 1.7 0.5
assign (resid  5 and name HA  )(resid  6 and name HN ) 3.5 1.7 0.5
assign (resid  6 and name HA1 )(resid  7 and name HN ) 3.5 1.7 0.5
assign (resid  6 and name HA2 )(resid  7 and name HN ) 3.5 1.7 0.5
assign (resid  8 and name HA  )(resid  9 and name HN ) 2.5 0.7 0.5
assign (resid 10 and name HA  )(resid 11 and name HN ) 3.5 1.7 0.5
assign (resid 12 and name HA  )(resid 13 and name HN ) 3.5 1.7 0.5
assign (resid 15 and name HA  )(resid 16 and name HN ) 3.5 1.7 0.5
assign (resid 17 and name HA  )(resid 18 and name HN ) 3.5 1.7 0.5
assign (resid 18 and name HA  )(resid 19 and name HN ) 3.5 1.7 0.5
assign (resid 25 and name HA  )(resid 26 and name HN ) 3.5 1.7 0.5
assign (resid 26 and name HA  )(resid 28 and name HN ) 4.5 2.7 0.5
assign (resid 32 and name HA  )(resid 33 and name HN ) 3.5 1.7 0.5 
assign (resid 33 and name HA  )(resid 34 and name HN ) 3.5 1.7 0.5 
assign (resid 34 and name HA  )(resid 35 and name HN ) 3.5 1.7 0.5 
assign (resid 36 and name HA1 )(resid 37 and name HN ) 3.5 1.7 0.5
assign (resid 36 and name HA2 )(resid 37 and name HN ) 3.5 1.7 0.5
assign (resid 37 and name HA  )(resid 38 and name HN ) 3.5 1.7 0.5
assign (resid 39 and name HA  )(resid 40 and name HN ) 4.5 1.7 0.5 
assign (resid 40 and name HA* )(resid 41 and name HN ) 3.5 1.7 0.5
assign (resid 42 and name HA* )(resid 43 and name HN ) 3.5 1.7 0.5
assign (resid 46 and name HA  )(resid 47 and name HN ) 3.5 1.7 0.5 
 
! HA(i)-HN(i+2)
assign (resid 17 and name HA )(resid 19 and name HN ) 3.5 1.7 0.5
assign (resid 32 and name HA )(resid 34 and name HN ) 3.5 1.7 0.5
assign (resid 37 and name HA )(resid 39 and name HN ) 3.5 1.7 0.5
assign (resid 44 and name HA )(resid 46 and name HN ) 3.5 1.7 0.5

! HA(i)-HN(i+3 or 4)
assign (resid 17 and name HA )(resid 20 and name HN ) 4.5 2.7 0.5
assign (resid 20 and name HA )(resid 24 and name HN ) 4.5 2.7 0.5 
assign (resid 22 and name HA )(resid 25 and name HN ) 3.5 1.7 0.5 
assign (resid 23 and name HA )(resid 26 and name HN ) 4.5 2.7 0.5 
assign (resid 24 and name HA )(resid 28 and name HN ) 3.5 1.7 0.5
assign (resid 31 and name HA )(resid 34 and name HN ) 4.5 2.7 0.5
assign (resid 31 and name HA )(resid 35 and name HN ) 4.5 2.7 0.5
assign (resid 34 and name HA )(resid 37 and name HN ) 3.5 1.7 0.5
assign (resid 34 and name HA )(resid 38 and name HN ) 4.5 2.7 0.5
assign (resid 35 and name HA )(resid 38 and name HN ) 3.5 1.7 0.5
assign (resid 37 and name HA )(resid 40 and name HN ) 3.5 1.7 0.5
assign (resid 37 and name HA )(resid 41 and name HN ) 3.5 1.7 0.5
 
                            ! 4) SC-NH 

! intra-resid
assign (resid 2 and name HB1 )(resid 2 and name HN ) 3.5 1.7 0.5
assign (resid 2 and name HB2 )(resid 2 and name HN ) 3.5 1.7 0.5
assign (resid 3 and name HB1 )(resid 3 and name HN ) 3.5 1.7 0.5
assign (resid 3 and name HB2 )(resid 3 and name HN ) 3.5 1.7 0.5 
assign (resid 5 and name HB1 )(resid 5 and name HN ) 4.5 2.7 0.5
assign (resid 5 and name HB2 )(resid 5 and name HN ) 4.5 2.7 0.5
assign (resid 7 and name HB )(resid 7 and name HN ) 3.5 1.7 0.5
assign (resid 7 and name HG1* )(resid 7 and name HN ) 3.5 1.7 1.5
assign (resid 7 and name HG2* )(resid 7 and name HN ) 3.5 1.7 1.5
assign (resid 8 and name HB* )(resid 8 and name HN ) 3.5 1.7 0.5
assign (resid 11 and name HB*  )(resid 11 and name HN ) 3.5 1.7 0.5
assign (resid 11 and name HG*  )(resid 11 and name HN ) 4.5 2.7 0.5
assign (resid 12 and name HG*  )(resid 12 and name HN ) 4.5 2.7 0.5
assign (resid 14 and name HB* )(resid 14 and name HN ) 3.5 1.7 0.5
assign (resid 16 and name HB )(resid 16 and name HN ) 3.5 1.7 0.5
assign (resid 16 and name HG* )(resid 16 and name HN ) 3.5 1.7 0.5
assign (resid 17 and name HB* )(resid 17 and name HN ) 3.5 1.7 0.5
assign (resid 18 and name HB1 )(resid 18 and name HN ) 3.5 1.7 0.5
assign (resid 18 and name HB2 )(resid 18 and name HN ) 3.5 1.7 0.5
assign (resid 20 and name HB* )(resid 20 and name HN ) 3.5 1.7 0.5
assign (resid 22 and name HB* )(resid 22 and name HN ) 3.5 1.7 0.5
assign (resid 23 and name HB1 )(resid 23 and name HN ) 3.5 1.7 0.5
assign (resid 23 and name HB2 )(resid 23 and name HN ) 3.5 1.7 0.5
assign (resid 23 and name HG1 )(resid 23 and name HN ) 4.5 2.7 0.5
assign (resid 23 and name HG2 )(resid 23 and name HN ) 4.5 2.7 0.5
assign (resid 24 and name HB1 )(resid 24 and name HN ) 3.5 1.7 0.5
assign (resid 24 and name HB2 )(resid 24 and name HN ) 3.5 1.7 0.5
assign (resid 24 and name HG1 )(resid 24 and name HN ) 4.5 2.7 0.5
assign (resid 24 and name HG2 )(resid 24 and name HN ) 4.5 2.7 0.5
assign (resid 25 and name HB* )(resid 25 and name HN ) 3.5 1.7 0.5
assign (resid 25 and name HG* )(resid 25 and name HN ) 3.5 1.7 0.5
assign (resid 26 and name HB1 )(resid 26 and name HN ) 3.5 1.7 0.5
assign (resid 26 and name HB2 )(resid 26 and name HN ) 3.5 1.7 0.5
assign (resid 27 and name HG2* )(resid 27 and name HN ) 4.5 2.7 0.5
assign (resid 28 and name HB* )(resid 28 and name HN ) 3.5 1.7 0.5
assign (resid 30 and name HB )(resid 30 and name HN ) 3.5 1.7 0.5
assign (resid 30 and name HG2* )(resid 30 and name HN ) 4.5 2.7 0.5
assign (resid 31 and name HB1 )(resid 31 and name HN ) 3.5 1.7 0.5
assign (resid 31 and name HB2 )(resid 31 and name HN ) 3.5 1.7 0.5
assign (resid 34 and name HB )(resid 34 and name HN ) 3.5 1.7 0.5
assign (resid 34 and name HG2* )(resid 34 and name HN ) 4.5 2.7 0.5
assign (resid 34 and name HG1* )(resid 34 and name HN ) 4.5 2.7 0.5
assign (resid 37 and name HB )(resid 37 and name HN ) 3.5 1.7 0.5
assign (resid 37 and name HG1* )(resid 37 and name HN ) 4.5 2.7 0.5
assign (resid 37 and name HG2* )(resid 37 and name HN ) 4.5 2.7 0.5
assign (resid 38 and name HB* )(resid 38 and name HN ) 3.5 1.7 0.5
assign (resid 39 and name HB1 )(resid 39 and name HN ) 3.5 1.7 0.5
assign (resid 39 and name HB2 )(resid 39 and name HN ) 3.5 1.7 0.5
assign (resid 41 and name HB* )(resid 41 and name HN ) 3.5 1.7 0.5
assign (resid 44 and name HB )(resid 44 and name HN ) 3.5 1.7 0.5
assign (resid 44 and name HG1* )(resid 44 and name HN ) 4.5 2.7 0.5
assign (resid 44 and name HG2* )(resid 44 and name HN ) 4.5 2.7 0.5
assign (resid 44 and name HG2* )(resid 44 and name HN ) 4.5 2.7 0.5
assign (resid 46 and name HB1 )(resid 46 and name HN ) 3.5 1.7 0.5
assign (resid 46 and name HB2 )(resid 46 and name HN ) 3.5 1.7 0.5
assign (resid 47 and name HG* )(resid 46 and name HN ) 4.5 2.7 0.5

! inter-resid (i,i+1)
assign (resid 1 and name HG* )(resid 2 and name HN ) 4.5 2.7 0.5
assign (resid 5 and name HB1 )(resid 6 and name HN ) 4.5 2.7 0.5
assign (resid 5 and name HB2 )(resid 6 and name HN ) 4.5 2.7 0.5
assign (resid 7 and name HB  )(resid 8 and name HN ) 4.5 2.7 0.5
assign (resid 11 and name HB* )(resid 12 and name HN ) 4.5 2.7 0.5
assign (resid 15 and name HB1 )(resid 16 and name HN ) 3.5 1.7 0.5
assign (resid 15 and name HB2 )(resid 16 and name HN ) 3.5 1.7 0.5
assign (resid 17 and name HB* )(resid 18 and name HN ) 3.5 1.7 0.5
assign (resid 20 and name HB* )(resid 21 and name HN ) 3.5 1.7 0.5
assign (resid 21 and name HB* )(resid 22 and name HN ) 3.5 1.7 0.5
assign (resid 24 and name HB1 )(resid 25 and name HN ) 3.5 1.7 0.5
assign (resid 24 and name HB2 )(resid 25 and name HN ) 3.5 1.7 0.5
assign (resid 25 and name HB* )(resid 26 and name HN ) 3.5 1.7 0.5
assign (resid 26 and name HB1 )(resid 27 and name HN ) 3.5 1.7 0.5
assign (resid 26 and name HB2 )(resid 27 and name HN ) 3.5 1.7 0.5
assign (resid 27 and name HG2* )(resid 28 and name HN ) 3.5 1.7 1.5
assign (resid 28 and name HB* )(resid 29 and name HN ) 3.5 1.7 0.5
assign (resid 30 and name HB )(resid 31 and name HN ) 3.5 1.7 0.5
assign (resid 30 and name HG* )(resid 31 and name HN ) 4.5 2.7 0.5
assign (resid 33 and name HB1 )(resid 34 and name HN ) 4.5 2.7 0.5
assign (resid 33 and name HB2 )(resid 34 and name HN ) 4.5 2.7 0.5
assign (resid 34 and name HB )(resid 35 and name HN ) 3.5 1.7 0.5
assign (resid 34 and name HG1* )(resid 35 and name HN ) 3.5 1.7 0.5
assign (resid 34 and name HG2* )(resid 35 and name HN ) 3.5 1.7 0.5
assign (resid 37 and name HB )(resid 38 and name HN ) 3.5 1.7 0.5
assign (resid 37 and name HG1* )(resid 38 and name HN ) 4.5 2.7 0.5
assign (resid 37 and name HG2* )(resid 38 and name HN ) 4.5 2.7 0.5
assign (resid 41 and name HB* )(resid 42 and name HN ) 3.5 1.7 0.5
assign (resid 44 and name HB )(resid 45 and name HN ) 4.5 2.7 0.5
assign (resid 44 and name HG* )(resid 45 and name HN ) 4.5 2.7 0.5

 
! inter-resid (i,i+3)
assign (resid 27 and name HG2* )(resid 31 and name HN ) 4.5 2.7 0.5
assign (resid 35 and name HB* )(resid 38 and name HN ) 4.5 2.7 0.5

                               ! 5) SC-HA

! intra-resid or short range Chain-HA
assign (resid 2 and name HB1 )(resid 2 and name HA ) 3.5 1.7 0.5
assign (resid 2 and name HB2 )(resid 2 and name HA ) 3.5 1.7 0.5
assign (resid 3 and name HB1 )(resid 3 and name HA ) 3.5 1.7 0.5
assign (resid 3 and name HB2 )(resid 3 and name HA ) 3.5 1.7 0.5
assign (resid 5 and name HB1 )(resid 5 and name HA ) 3.5 1.7 0.5
assign (resid 5 and name HB2 )(resid 5 and name HA ) 3.5 1.7 0.5
assign (resid 7 and name HG** )(resid 7 and name HA ) 3.5 1.7 0.5
assign (resid 8 and name HB* )(resid 8 and name HA ) 3.5 1.7 0.5
assign (resid 10 and name HB* )(resid 10 and name HA ) 3.5 1.7 0.5
assign (resid 11 and name HB* )(resid 11 and name HA ) 3.5 1.7 0.5
assign (resid 13 and name HB* )(resid 13 and name HA ) 3.5 1.7 0.5
assign (resid 16 and name HG**)(resid 18 and name HA ) 4.5 1.7 2.5
assign (resid 18 and name HB1 )(resid 18 and name HA ) 3.5 1.7 0.5
assign (resid 18 and name HB2 )(resid 18 and name HA ) 3.5 1.7 0.5
assign (resid 20 and name HB* )(resid 20 and name HA ) 3.5 1.7 0.5
assign (resid 22 and name HB* )(resid 22 and name HA ) 3.5 1.7 0.5
assign (resid 23 and name HB1 )(resid 23 and name HA ) 3.5 1.7 0.5
assign (resid 23 and name HB2 )(resid 23 and name HA ) 3.5 1.7 0.5
assign (resid 24 and name HB1 )(resid 24 and name HA ) 3.5 1.7 0.5
assign (resid 26 and name HB1 )(resid 26 and name HA ) 3.5 1.7 0.5
assign (resid 26 and name HB2 )(resid 26 and name HA ) 3.5 1.7 0.5
assign (resid 28 and name HB* )(resid 28 and name HA ) 3.5 1.7 0.5
assign (resid 31 and name HB1 )(resid 31 and name HA ) 3.5 1.7 0.5
assign (resid 31 and name HB2 )(resid 31 and name HA ) 3.5 1.7 0.5
assign (resid 33 and name HB1 )(resid 33 and name HA ) 3.5 1.7 0.5
assign (resid 33 and name HB2 )(resid 33 and name HA ) 3.5 1.7 0.5
assign (resid 34 and name HB )(resid 34 and name HA ) 3.5 1.7 0.5
assign (resid 34 and name HG1* )(resid 34 and name HA ) 3.5 1.7 0.5
assign (resid 34 and name HG2* )(resid 34 and name HA ) 3.5 1.7 0.5
assign (resid 35 and name HB1 )(resid 35 and name HA ) 3.5 1.7 0.5
assign (resid 35 and name HB2 )(resid 35 and name HA ) 3.5 1.7 0.5
assign (resid 37 and name HG1* )(resid 37 and name HA ) 4.5 2.7 0.5
assign (resid 37 and name HG2* )(resid 37 and name HA ) 4.5 2.7 0.5
assign (resid 38 and name HB* )(resid 38 and name HA ) 3.5 1.7 0.5
assign (resid 39 and name HB1 )(resid 39 and name HA ) 3.5 1.7 0.5
assign (resid 39 and name HB2 )(resid 39 and name HA ) 3.5 1.7 0.5
assign (resid 41 and name HB* )(resid 41 and name HA ) 3.5 1.7 0.5
assign (resid 43 and name HB1 )(resid 43 and name HA ) 3.5 1.7 0.5
assign (resid 43 and name HB2 )(resid 43 and name HA ) 3.5 1.7 0.5
assign (resid 44 and name HB )(resid 44 and name HA ) 3.5 1.7 0.5
assign (resid 44 and name HG1* )(resid 44 and name HA ) 3.5 1.7 0.5
assign (resid 46 and name HB1 )(resid 46 and name HA ) 3.5 1.7 0.5
assign (resid 46 and name HB2 )(resid 46 and name HA ) 3.5 1.7 0.5
assign (resid 46 and name HG2 )(resid 46 and name HA ) 3.5 1.7 0.5

 
! inter resid-(i,i+3)
assign (resid 21 and name HB* )(resid 18 and name HA ) 3.5 1.7 0.5
assign (resid 23 and name HB1 )(resid 20 and name HA ) 3.5 1.7 0.5
assign (resid 23 and name HB2 )(resid 20 and name HA ) 3.5 1.7 0.5
assign (resid 24 and name HB1 )(resid 21 and name HA ) 3.5 1.7 0.5
assign (resid 24 and name HB2 )(resid 21 and name HA ) 3.5 1.7 0.5
assign (resid 25 and name HB* )(resid 22 and name HA ) 3.5 1.7 0.5
assign (resid 26 and name HB1 )(resid 23 and name HA ) 4.5 2.7 0.5
assign (resid 26 and name HB2 )(resid 23 and name HA ) 4.5 2.7 0.5
assign (resid 28 and name HB* )(resid 25 and name HA ) 3.5 1.7 0.5
assign (resid 30 and name HB )(resid 27 and name HA ) 3.5 1.7 0.5
assign (resid 31 and name HB1 )(resid 28 and name HA ) 3.5 1.7 0.5
assign (resid 31 and name HB2 )(resid 28 and name HA ) 3.5 1.7 0.5
assign (resid 33 and name HB1 )(resid 30 and name HA ) 3.5 1.7 0.5
assign (resid 33 and name HB2 )(resid 30 and name HA ) 3.5 1.7 0.5
assign (resid 34 and name HB )(resid 31 and name HA ) 3.5 1.7 0.5
assign (resid 37 and name HB )(resid 34 and name HA ) 4.5 2.7 0.5
assign (resid 37 and name HG1* )(resid 34 and name HA ) 4.5 2.7 0.5
assign (resid 37 and name HG2* )(resid 34 and name HA ) 4.5 2.7 0.5
assign (resid 38 and name HB* )(resid 35 and name HA ) 3.5 1.7 0.5

! inter resid-(i,i+n n>3)
assign (resid 25 and name HB*)(resid 21 and name HA  ) 4.5 2.7 0.5
assign (resid 30 and name HB )(resid 26 and name HA  ) 4.5 2.7 0.5
assign (resid 38 and name HB*)(resid 34 and name HA  ) 4.5 2.7 0.5

                           ! 6) H-bond
 
assign (resid 23 and name HN )(resid 19 and name O )  2.2 0.5 0.2
assign (resid 23 and name N  )(resid 19 and name O )  3.3 0.8 0.2

 
assign (resid 25 and name HN )(resid 21 and name O )  2.2 0.5 0.2
assign (resid 25 and name N  )(resid 21 and name O )  3.3 0.8 0.2
assign (resid 27 and name HN )(resid 23 and name O )  2.2 0.5 0.2
assign (resid 27 and name N  )(resid 23 and name O )  3.3 0.8 0.2
 
assign (resid 29 and name HN )(resid 25 and name O )  2.2 0.8 0.2
assign (resid 29 and name N  )(resid 25 and name O )  3.3 0.8 0.2
assign (resid 30 and name HN )(resid 26 and name O )  2.2 0.5 0.2
assign (resid 30 and name N  )(resid 26 and name O )  3.3 0.8 0.2
 
assign (resid 32 and name HN )(resid 28 and name O )  2.2 0.5 0.2
assign (resid 32 and name N  )(resid 28 and name O )  3.3 0.8 0.2
assign (resid 33 and name HN )(resid 29 and name O )  2.2 0.5 0.2
assign (resid 33 and name N  )(resid 29 and name O )  3.3 0.8 0.2
assign (resid 35 and name HN )(resid 31 and name O )  2.2 0.5 0.2
assign (resid 35 and name N  )(resid 31 and name O )  3.3 0.8 0.2
assign (resid 36 and name HN )(resid 32 and name O )  2.2 0.5 0.2
assign (resid 36 and name N  )(resid 32 and name O )  3.3 0.8 0.2
assign (resid 37 and name HN )(resid 33 and name O )  2.2 0.5 0.2
assign (resid 37 and name N  )(resid 33 and name O )  3.3 0.8 0.2
assign (resid 39 and name HN )(resid 35 and name O )  2.2 0.5 0.2
assign (resid 39 and name N  )(resid 35 and name O )  3.3 0.8 0.2
 
! disulf bond noe
 assign (resid 9 and name SG )(resid 14 and name SG ) 2.02 0.05 0.05
  assign (resid 9 and name HB* )(resid 14 and name SG ) 2.99 0.05 0.05
  assign (resid 14 and name HB* )(resid 9 and name SG ) 2.99 0.05 0.05

                               ! 7) SC-SC



set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    VAL   1           H        VAL   1 -26.712  15.430  11.481
    2    HA   VAL   1           HA       VAL   1 -26.369  16.042   9.097
    3    HB   VAL   1           HB       VAL   1 -25.949  17.927  10.384
    4   1HG1  VAL   1          1HG1      VAL   1 -25.176  17.193  12.440
    5   2HG1  VAL   1          2HG1      VAL   1 -23.942  16.134  11.717
    6   3HG1  VAL   1          3HG1      VAL   1 -23.672  17.891  11.793
    7   1HG2  VAL   1          1HG2      VAL   1 -24.003  18.952   9.495
    8   2HG2  VAL   1          2HG2      VAL   1 -23.110  17.413   9.449
    9   3HG2  VAL   1          3HG2      VAL   1 -24.429  17.711   8.292
   10    H    ASN   2           H        ASN   2 -23.246  16.839   9.191
   11    HA   ASN   2           HA       ASN   2 -21.497  16.201   7.883
   12   1HB   ASN   2          2HB       ASN   2 -22.049  13.889   9.688
   13   2HB   ASN   2          1HB       ASN   2 -20.803  13.725   8.458
   14   1HD2  ASN   2          1HD2      ASN   2 -21.706  15.183  11.437
   15   2HD2  ASN   2          2HD2      ASN   2 -20.182  15.917  11.792
   16    H    TYR   3           H        TYR   3 -23.864  16.083   6.427
   17    HA   TYR   3           HA       TYR   3 -24.046  13.547   5.053
   18   1HB   TYR   3          2HB       TYR   3 -25.464  16.154   4.964
   19   2HB   TYR   3          1HB       TYR   3 -25.442  15.237   3.461
   20    HD1  TYR   3          1HD       TYR   3 -27.344  15.862   6.236
   21    HD2  TYR   3          2HD       TYR   3 -25.902  12.562   3.971
   22    HE1  TYR   3          1HE       TYR   3 -29.182  14.478   7.095
   23    HE2  TYR   3          2HE       TYR   3 -27.741  11.172   4.824
   24    HH   TYR   3           HH       TYR   3 -30.275  11.879   5.819
   25    H    GLY   4           H        GLY   4 -22.335  13.014   3.747
   26   1HA   GLY   4          2HA       GLY   4 -21.765  14.713   1.475
   27   2HA   GLY   4          1HA       GLY   4 -20.425  14.575   2.607
   28    H    ASN   5           H        ASN   5 -19.828  12.266   3.190
   29    HA   ASN   5           HA       ASN   5 -20.477  10.213   1.298
   30   1HB   ASN   5          2HB       ASN   5 -17.944  11.776   1.029
   31   2HB   ASN   5          1HB       ASN   5 -17.897  10.044   0.718
   32   1HD2  ASN   5          1HD2      ASN   5 -18.795  13.110  -0.464
   33   2HD2  ASN   5          2HD2      ASN   5 -19.476  12.591  -1.965
   34    H    GLY   6           H        GLY   6 -20.395  10.658   4.198
   35   1HA   GLY   6          2HA       GLY   6 -18.534   8.466   4.942
   36   2HA   GLY   6          1HA       GLY   6 -18.856   9.841   5.986
   37    H    VAL   7           H        VAL   7 -21.780   9.557   4.903
   38    HA   VAL   7           HA       VAL   7 -22.625   7.813   7.070
   39    HB   VAL   7           HB       VAL   7 -24.941   8.571   6.392
   40   1HG1  VAL   7          1HG1      VAL   7 -24.586  10.915   7.235
   41   2HG1  VAL   7          2HG1      VAL   7 -22.856  10.583   7.204
   42   3HG1  VAL   7          3HG1      VAL   7 -23.918   9.633   8.245
   43   1HG2  VAL   7          1HG2      VAL   7 -24.124   9.150   4.030
   44   2HG2  VAL   7          2HG2      VAL   7 -23.561  10.660   4.744
   45   3HG2  VAL   7          3HG2      VAL   7 -25.274  10.243   4.802
   46    H    SER   8           H        SER   8 -22.568   7.910   3.574
   47    HA   SER   8           HA       SER   8 -23.977   5.322   3.428
   48   1HB   SER   8          2HB       SER   8 -24.929   7.068   2.020
   49   2HB   SER   8          1HB       SER   8 -23.356   7.363   1.278
   50    HG   SER   8           HG       SER   8 -25.025   5.869   0.232
   51    H    CYS   9           H        CYS   9 -22.218   4.012   4.053
   52    HA   CYS   9           HA       CYS   9 -19.661   4.180   2.840
   53   1HB   CYS   9          2HB       CYS   9 -20.313   3.073   5.081
   54   2HB   CYS   9          1HB       CYS   9 -20.744   1.675   4.100
   55    H    SER  10           H        SER  10 -18.907   3.408   1.001
   56    HA   SER  10           HA       SER  10 -20.530   2.416  -1.024
   57   1HB   SER  10          2HB       SER  10 -18.205   1.596  -1.952
   58   2HB   SER  10          1HB       SER  10 -18.557   3.321  -1.821
   59    HG   SER  10           HG       SER  10 -16.737   3.280  -0.738
   60    H    LYS  11           H        LYS  11 -20.590   0.378  -2.055
   61    HA   LYS  11           HA       LYS  11 -21.168  -1.829  -2.000
   62   1HB   LYS  11          2HB       LYS  11 -18.501  -2.059  -0.611
   63   2HB   LYS  11          1HB       LYS  11 -19.331  -3.332  -1.495
   64   1HG   LYS  11          2HG       LYS  11 -18.616  -2.591  -3.480
   65   2HG   LYS  11          1HG       LYS  11 -18.868  -0.897  -3.051
   66   1HD   LYS  11          2HD       LYS  11 -16.556  -1.054  -3.295
   67   2HD   LYS  11          1HD       LYS  11 -16.795  -1.191  -1.552
   68   1HE   LYS  11          2HE       LYS  11 -16.662  -3.629  -3.289
   69   2HE   LYS  11          1HE       LYS  11 -15.191  -2.841  -2.720
   70   1HZ   LYS  11          1HZ       LYS  11 -16.169  -3.062  -0.425
   71   2HZ   LYS  11          2HZ       LYS  11 -15.689  -4.506  -1.161
   72   3HZ   LYS  11          3HZ       LYS  11 -17.328  -4.095  -1.098
   73    H    THR  12           H        THR  12 -21.566  -3.794  -0.683
   74    HA   THR  12           HA       THR  12 -22.578  -3.004   1.920
   75    HB   THR  12           HB       THR  12 -24.109  -4.185   0.475
   76    HG1  THR  12          1HG       THR  12 -24.190  -4.641   2.733
   77   1HG2  THR  12          1HG2      THR  12 -23.639  -6.696   0.133
   78   2HG2  THR  12          2HG2      THR  12 -21.947  -6.233   0.314
   79   3HG2  THR  12          3HG2      THR  12 -22.924  -5.525  -0.972
   80    H    LYS  13           H        LYS  13 -20.054  -2.893   2.349
   81    HA   LYS  13           HA       LYS  13 -19.521  -5.103   4.107
   82   1HB   LYS  13          2HB       LYS  13 -18.161  -4.894   1.517
   83   2HB   LYS  13          1HB       LYS  13 -17.071  -5.047   2.882
   84   1HG   LYS  13          2HG       LYS  13 -19.273  -6.923   3.035
   85   2HG   LYS  13          1HG       LYS  13 -18.331  -7.105   1.553
   86   1HD   LYS  13          2HD       LYS  13 -16.796  -6.782   4.063
   87   2HD   LYS  13          1HD       LYS  13 -17.679  -8.296   3.869
   88   1HE   LYS  13          2HE       LYS  13 -15.378  -8.460   3.031
   89   2HE   LYS  13          1HE       LYS  13 -16.567  -8.706   1.753
   90   1HZ   LYS  13          1HZ       LYS  13 -16.199  -6.497   0.963
   91   2HZ   LYS  13          2HZ       LYS  13 -14.692  -7.252   1.111
   92   3HZ   LYS  13          3HZ       LYS  13 -15.191  -6.127   2.272
   93    H    CYS  14           H        CYS  14 -16.971  -3.126   2.698
   94    HA   CYS  14           HA       CYS  14 -15.778  -1.351   3.503
   95   1HB   CYS  14          2HB       CYS  14 -17.847  -1.157   5.693
   96   2HB   CYS  14          1HB       CYS  14 -16.661   0.071   5.260
   97    H    SER  15           H        SER  15 -14.005  -2.606   4.048
   98    HA   SER  15           HA       SER  15 -13.453  -2.815   6.850
   99   1HB   SER  15          2HB       SER  15 -14.072  -5.270   5.255
  100   2HB   SER  15          1HB       SER  15 -12.868  -5.352   6.539
  101    HG   SER  15           HG       SER  15 -15.381  -4.194   7.042
  102    H    VAL  16           H        VAL  16 -12.438  -3.945   3.622
  103    HA   VAL  16           HA       VAL  16  -9.912  -2.635   3.901
  104    HB   VAL  16           HB       VAL  16  -9.470  -4.604   5.280
  105   1HG1  VAL  16          1HG1      VAL  16  -9.753  -6.373   2.887
  106   2HG1  VAL  16          2HG1      VAL  16 -11.152  -5.999   3.900
  107   3HG1  VAL  16          3HG1      VAL  16  -9.741  -6.792   4.602
  108   1HG2  VAL  16          1HG2      VAL  16  -7.371  -4.961   4.464
  109   2HG2  VAL  16          2HG2      VAL  16  -7.822  -3.559   3.493
  110   3HG2  VAL  16          3HG2      VAL  16  -7.930  -5.179   2.806
  111    H    ASN  17           H        ASN  17  -9.578  -1.856   1.936
  112    HA   ASN  17           HA       ASN  17 -10.724  -3.138  -0.400
  113   1HB   ASN  17          2HB       ASN  17  -9.060  -0.614  -0.252
  114   2HB   ASN  17          1HB       ASN  17 -10.067  -1.143  -1.600
  115   1HD2  ASN  17          1HD2      ASN  17 -12.221  -0.757  -1.567
  116   2HD2  ASN  17          2HD2      ASN  17 -13.023   0.129  -0.319
  117    H    TRP  18           H        TRP  18  -9.479  -3.590  -2.326
  118    HA   TRP  18           HA       TRP  18  -7.195  -5.168  -1.799
  119   1HB   TRP  18          2HB       TRP  18  -8.939  -4.857  -3.934
  120   2HB   TRP  18          1HB       TRP  18  -7.420  -4.233  -4.574
  121    HD1  TRP  18           HD       TRP  18  -5.254  -6.004  -4.290
  122    HE1  TRP  18          1HE       TRP  18  -5.242  -8.562  -4.563
  123    HE3  TRP  18          3HE       TRP  18 -10.260  -6.902  -3.764
  124    HZ2  TRP  18          2HZ       TRP  18  -7.106 -10.680  -4.562
  125    HZ3  TRP  18          3HZ       TRP  18 -11.063  -9.223  -3.914
  126    HH2  TRP  18           HH       TRP  18  -9.518 -11.073  -4.305
  127    H    GLY  19           H        GLY  19  -7.660  -1.841  -2.762
  128   1HA   GLY  19          2HA       GLY  19  -5.259  -1.068  -3.807
  129   2HA   GLY  19          1HA       GLY  19  -6.200  -0.060  -2.720
  130    H    GLN  20           H        GLN  20  -5.963  -1.413  -0.330
  131    HA   GLN  20           HA       GLN  20  -3.456  -0.538   0.579
  132   1HB   GLN  20          2HB       GLN  20  -5.752  -1.225   1.812
  133   2HB   GLN  20          1HB       GLN  20  -4.804  -2.669   2.134
  134   1HG   GLN  20          2HG       GLN  20  -3.092  -0.552   2.713
  135   2HG   GLN  20          1HG       GLN  20  -4.661  -0.059   3.349
  136   1HE2  GLN  20          1HE2      GLN  20  -5.370  -0.935   5.197
  137   2HE2  GLN  20          2HE2      GLN  20  -4.564  -2.186   6.072
  138    H    ALA  21           H        ALA  21  -4.631  -3.802  -0.158
  139    HA   ALA  21           HA       ALA  21  -2.331  -5.220   0.575
  140   1HB   ALA  21          1HB       ALA  21  -4.286  -6.471   0.232
  141   2HB   ALA  21          2HB       ALA  21  -3.218  -6.929  -1.095
  142   3HB   ALA  21          3HB       ALA  21  -4.537  -5.794  -1.378
  143    H    PHE  22           H        PHE  22  -3.318  -4.271  -2.742
  144    HA   PHE  22           HA       PHE  22  -1.071  -5.140  -4.063
  145   1HB   PHE  22          2HB       PHE  22  -3.113  -4.031  -5.136
  146   2HB   PHE  22          1HB       PHE  22  -2.326  -2.489  -4.781
  147    HD1  PHE  22          1HD       PHE  22  -1.651  -5.767  -6.401
  148    HD2  PHE  22          2HD       PHE  22  -0.848  -1.605  -6.236
  149    HE1  PHE  22          1HE       PHE  22  -0.157  -5.979  -8.326
  150    HE2  PHE  22          2HE       PHE  22   0.626  -1.798  -8.166
  151    HZ   PHE  22           HZ       PHE  22   0.980  -3.991  -9.235
  152    H    GLN  23           H        GLN  23  -1.413  -2.157  -2.199
  153    HA   GLN  23           HA       GLN  23   1.066  -1.108  -3.202
  154   1HB   GLN  23          2HB       GLN  23  -1.126   0.010  -1.947
  155   2HB   GLN  23          1HB       GLN  23   0.078   0.031  -0.667
  156   1HG   GLN  23          2HG       GLN  23   1.620   1.110  -2.415
  157   2HG   GLN  23          1HG       GLN  23   0.136   1.401  -3.324
  158   1HE2  GLN  23          1HE2      GLN  23   0.768   3.659  -3.033
  159   2HE2  GLN  23          2HE2      GLN  23   0.298   4.472  -1.583
  160    H    GLU  24           H        GLU  24   0.061  -2.949  -0.392
  161    HA   GLU  24           HA       GLU  24   2.531  -2.589   1.033
  162   1HB   GLU  24          2HB       GLU  24   0.056  -3.419   1.791
  163   2HB   GLU  24          1HB       GLU  24   0.872  -4.967   1.628
  164   1HG   GLU  24          2HG       GLU  24   2.690  -3.466   3.028
  165   2HG   GLU  24          1HG       GLU  24   1.144  -2.914   3.670
  166    H    ARG  25           H        ARG  25   1.186  -4.805  -1.263
  167    HA   ARG  25           HA       ARG  25   3.193  -6.821  -1.031
  168   1HB   ARG  25          2HB       ARG  25   0.661  -6.579  -2.153
  169   2HB   ARG  25          1HB       ARG  25   1.724  -6.732  -3.544
  170   1HG   ARG  25          2HG       ARG  25   2.533  -8.818  -2.828
  171   2HG   ARG  25          1HG       ARG  25   1.851  -8.613  -1.214
  172   1HD   ARG  25          2HD       ARG  25  -0.369  -8.401  -2.768
  173   2HD   ARG  25          1HD       ARG  25   0.595  -9.548  -3.698
  174    HE   ARG  25           HE       ARG  25   0.598 -10.324  -1.002
  175   1HH1  ARG  25          1HH1      ARG  25  -1.572 -10.139  -3.730
  176   2HH1  ARG  25          2HH1      ARG  25  -2.559 -11.456  -3.189
  177   1HH2  ARG  25          1HH2      ARG  25  -0.696 -12.049  -0.292
  178   2HH2  ARG  25          2HH2      ARG  25  -2.062 -12.540  -1.237
  179    H    TYR  26           H        TYR  26   2.332  -4.601  -3.670
  180    HA   TYR  26           HA       TYR  26   4.604  -5.108  -5.222
  181   1HB   TYR  26          2HB       TYR  26   3.577  -3.806  -6.731
  182   2HB   TYR  26          1HB       TYR  26   2.242  -3.905  -5.601
  183    HD1  TYR  26          1HD       TYR  26   5.205  -1.726  -6.313
  184    HD2  TYR  26          2HD       TYR  26   1.203  -1.984  -5.005
  185    HE1  TYR  26          1HE       TYR  26   5.046   0.716  -6.251
  186    HE2  TYR  26          2HE       TYR  26   1.008   0.426  -4.940
  187    HH   TYR  26           HH       TYR  26   3.601   2.449  -4.957
  188    H    THR  27           H        THR  27   3.938  -2.209  -3.183
  189    HA   THR  27           HA       THR  27   6.422  -1.004  -3.662
  190    HB   THR  27           HB       THR  27   5.057  -0.712  -1.007
  191    HG1  THR  27          1HG       THR  27   3.329   0.029  -1.894
  192   1HG2  THR  27          1HG2      THR  27   6.814   0.921  -2.700
  193   2HG2  THR  27          2HG2      THR  27   6.630   0.883  -0.947
  194   3HG2  THR  27          3HG2      THR  27   5.475   1.776  -1.937
  195    H    ALA  28           H        ALA  28   5.457  -3.454  -1.341
  196    HA   ALA  28           HA       ALA  28   7.669  -3.459   0.336
  197   1HB   ALA  28          1HB       ALA  28   7.169  -6.051   0.334
  198   2HB   ALA  28          2HB       ALA  28   5.729  -5.536  -0.545
  199   3HB   ALA  28          3HB       ALA  28   6.051  -4.903   1.070
  200    H    GLY  29           H        GLY  29   7.201  -5.222  -2.714
  201   1HA   GLY  29          2HA       GLY  29   9.915  -6.220  -2.717
  202   2HA   GLY  29          1HA       GLY  29   8.714  -6.436  -3.984
  203    H    ILE  30           H        ILE  30   8.137  -3.614  -4.275
  204    HA   ILE  30           HA       ILE  30  10.225  -2.965  -6.125
  205    HB   ILE  30           HB       ILE  30   7.758  -1.454  -5.251
  206   1HG1  ILE  30          2HG1      ILE  30   8.485  -3.218  -7.572
  207   2HG1  ILE  30          1HG1      ILE  30   7.075  -3.296  -6.525
  208   1HG2  ILE  30          1HG2      ILE  30   8.174   0.056  -7.153
  209   2HG2  ILE  30          2HG2      ILE  30   9.737  -0.720  -7.407
  210   3HG2  ILE  30          3HG2      ILE  30   9.428   0.171  -5.918
  211   1HD1  ILE  30          1HD1      ILE  30   6.013  -2.392  -8.263
  212   2HD1  ILE  30          2HD1      ILE  30   7.506  -1.809  -8.999
  213   3HD1  ILE  30          3HD1      ILE  30   6.733  -0.878  -7.716
  214    H    ASN  31           H        ASN  31   9.400  -2.030  -2.865
  215    HA   ASN  31           HA       ASN  31  11.048   0.300  -2.749
  216   1HB   ASN  31          2HB       ASN  31   9.151  -0.108  -1.187
  217   2HB   ASN  31          1HB       ASN  31  10.058  -1.444  -0.475
  218   1HD2  ASN  31          1HD2      ASN  31   9.089   1.353   0.383
  219   2HD2  ASN  31          2HD2      ASN  31  10.468   2.009   1.192
  220    H    SER  32           H        SER  32  11.425  -3.055  -1.622
  221    HA   SER  32           HA       SER  32  13.955  -2.844  -0.494
  222   1HB   SER  32          2HB       SER  32  12.509  -5.122  -1.831
  223   2HB   SER  32          1HB       SER  32  14.150  -5.328  -1.214
  224    HG   SER  32           HG       SER  32  13.429  -5.218   0.780
  225    H    PHE  33           H        PHE  33  13.040  -3.536  -3.849
  226    HA   PHE  33           HA       PHE  33  15.475  -4.086  -4.987
  227   1HB   PHE  33          2HB       PHE  33  14.012  -4.195  -6.700
  228   2HB   PHE  33          1HB       PHE  33  12.894  -3.093  -5.910
  229    HD1  PHE  33          1HD       PHE  33  15.357  -3.474  -8.495
  230    HD2  PHE  33          2HD       PHE  33  13.261  -0.614  -6.152
  231    HE1  PHE  33          1HE       PHE  33  15.956  -1.719 -10.108
  232    HE2  PHE  33          2HE       PHE  33  13.848   1.145  -7.764
  233    HZ   PHE  33           HZ       PHE  33  15.198   0.593  -9.748
  234    H    VAL  34           H        VAL  34  14.183  -0.960  -4.023
  235    HA   VAL  34           HA       VAL  34  16.180   0.606  -5.301
  236    HB   VAL  34           HB       VAL  34  14.689   1.520  -2.864
  237   1HG1  VAL  34          1HG1      VAL  34  15.546   2.930  -5.381
  238   2HG1  VAL  34          2HG1      VAL  34  16.420   2.954  -3.850
  239   3HG1  VAL  34          3HG1      VAL  34  14.812   3.670  -3.958
  240   1HG2  VAL  34          1HG2      VAL  34  12.975   0.508  -4.178
  241   2HG2  VAL  34          2HG2      VAL  34  13.621   1.209  -5.662
  242   3HG2  VAL  34          3HG2      VAL  34  12.882   2.248  -4.446
  243    H    SER  35           H        SER  35  15.656  -0.023  -1.848
  244    HA   SER  35           HA       SER  35  17.978   1.049  -0.849
  245   1HB   SER  35          2HB       SER  35  15.925  -0.458   0.182
  246   2HB   SER  35          1HB       SER  35  17.322  -1.509   0.409
  247    HG   SER  35           HG       SER  35  18.195  -0.091   1.761
  248    H    GLY  36           H        GLY  36  17.541  -2.393  -1.696
  249   1HA   GLY  36          2HA       GLY  36  20.180  -3.205  -1.336
  250   2HA   GLY  36          1HA       GLY  36  19.048  -3.962  -2.449
  251    H    VAL  37           H        VAL  37  18.633  -2.352  -4.425
  252    HA   VAL  37           HA       VAL  37  20.965  -2.383  -5.974
  253    HB   VAL  37           HB       VAL  37  18.366  -0.891  -6.343
  254   1HG1  VAL  37          1HG1      VAL  37  20.120   0.274  -7.580
  255   2HG1  VAL  37          2HG1      VAL  37  18.994  -0.537  -8.667
  256   3HG1  VAL  37          3HG1      VAL  37  20.580  -1.242  -8.355
  257   1HG2  VAL  37          1HG2      VAL  37  17.899  -2.648  -7.982
  258   2HG2  VAL  37          2HG2      VAL  37  18.189  -3.318  -6.376
  259   3HG2  VAL  37          3HG2      VAL  37  19.447  -3.403  -7.609
  260    H    ALA  38           H        ALA  38  19.768  -0.055  -3.699
  261    HA   ALA  38           HA       ALA  38  21.208   2.195  -4.750
  262   1HB   ALA  38          1HB       ALA  38  19.548   1.628  -2.381
  263   2HB   ALA  38          2HB       ALA  38  19.542   3.016  -3.470
  264   3HB   ALA  38          3HB       ALA  38  20.756   2.900  -2.196
  265    H    SER  39           H        SER  39  21.954  -0.440  -2.615
  266    HA   SER  39           HA       SER  39  24.226   0.777  -1.383
  267   1HB   SER  39          2HB       SER  39  24.534  -1.252  -0.272
  268   2HB   SER  39          1HB       SER  39  22.797  -1.244  -0.573
  269    HG   SER  39           HG       SER  39  23.941  -3.234  -1.124
  270    H    GLY  40           H        GLY  40  23.787  -1.525  -4.051
  271   1HA   GLY  40          2HA       GLY  40  26.584  -1.796  -4.566
  272   2HA   GLY  40          1HA       GLY  40  25.279  -2.323  -5.615
  273    H    ALA  41           H        ALA  41  23.985  -0.048  -6.271
  274    HA   ALA  41           HA       ALA  41  25.510   2.203  -6.875
  275   1HB   ALA  41          1HB       ALA  41  25.787   1.795  -9.357
  276   2HB   ALA  41          2HB       ALA  41  25.561   0.084  -8.991
  277   3HB   ALA  41          3HB       ALA  41  26.913   0.968  -8.281
  278    H    GLY  42           H        GLY  42  23.476   2.943  -6.224
  279   1HA   GLY  42          2HA       GLY  42  21.279   2.658  -8.169
  280   2HA   GLY  42          1HA       GLY  42  21.113   3.204  -6.508
  281    H    SER  43           H        SER  43  23.677   4.450  -8.500
  282    HA   SER  43           HA       SER  43  22.300   7.056  -8.533
  283   1HB   SER  43          2HB       SER  43  24.516   8.077  -8.647
  284   2HB   SER  43          1HB       SER  43  24.417   6.995  -7.260
  285    HG   SER  43           HG       SER  43  26.035   6.875  -9.447
  286    H    ILE  44           H        ILE  44  21.913   4.946 -10.531
  287    HA   ILE  44           HA       ILE  44  21.974   6.509 -12.850
  288    HB   ILE  44           HB       ILE  44  24.402   6.149 -12.766
  289   1HG1  ILE  44          2HG1      ILE  44  24.597   5.028 -15.071
  290   2HG1  ILE  44          1HG1      ILE  44  22.848   4.848 -14.997
  291   1HG2  ILE  44          1HG2      ILE  44  24.099   3.263 -13.394
  292   2HG2  ILE  44          2HG2      ILE  44  23.965   3.768 -11.709
  293   3HG2  ILE  44          3HG2      ILE  44  25.433   4.122 -12.623
  294   1HD1  ILE  44          1HD1      ILE  44  23.754   6.860 -16.237
  295   2HD1  ILE  44          2HD1      ILE  44  24.194   7.505 -14.655
  296   3HD1  ILE  44          3HD1      ILE  44  22.504   7.167 -15.031
  297    H    GLY  45           H        GLY  45  19.837   5.449 -12.301
  298   1HA   GLY  45          2HA       GLY  45  19.226   3.517 -14.249
  299   2HA   GLY  45          1HA       GLY  45  19.383   2.705 -12.698
  300    H    ARG  46           H        ARG  46  18.172   5.977 -13.095
  301    HA   ARG  46           HA       ARG  46  15.597   5.092 -11.998
  302   1HB   ARG  46          2HB       ARG  46  16.928   7.800 -12.120
  303   2HB   ARG  46          1HB       ARG  46  15.267   7.570 -11.590
  304   1HG   ARG  46          2HG       ARG  46  15.973   6.254  -9.723
  305   2HG   ARG  46          1HG       ARG  46  17.638   6.236 -10.305
  306   1HD   ARG  46          2HD       ARG  46  17.385   8.840 -10.171
  307   2HD   ARG  46          1HD       ARG  46  16.088   8.450  -9.043
  308    HE   ARG  46           HE       ARG  46  18.415   7.015  -8.355
  309   1HH1  ARG  46          1HH1      ARG  46  17.119  10.255  -8.308
  310   2HH1  ARG  46          2HH1      ARG  46  18.070  10.748  -6.947
  311   1HH2  ARG  46          1HH2      ARG  46  19.664   7.663  -6.565
  312   2HH2  ARG  46          2HH2      ARG  46  19.514   9.278  -5.958
  313    H    ARG  47           H        ARG  47  15.655   4.326 -14.496
  314    HA   ARG  47           HA       ARG  47  13.963   6.282 -15.904
  315   1HB   ARG  47          2HB       ARG  47  16.192   4.627 -17.096
  316   2HB   ARG  47          1HB       ARG  47  14.975   5.459 -18.053
  317   1HG   ARG  47          2HG       ARG  47  16.609   7.026 -18.106
  318   2HG   ARG  47          1HG       ARG  47  15.790   7.530 -16.626
  319   1HD   ARG  47          2HD       ARG  47  17.989   7.495 -15.941
  320   2HD   ARG  47          1HD       ARG  47  17.453   5.880 -15.480
  321    HE   ARG  47           HE       ARG  47  18.950   5.021 -16.967
  322   1HH1  ARG  47          1HH1      ARG  47  18.325   8.341 -17.840
  323   2HH1  ARG  47          2HH1      ARG  47  19.519   8.367 -19.093
  324   1HH2  ARG  47          1HH2      ARG  47  20.523   5.053 -18.615
  325   2HH2  ARG  47          2HH2      ARG  47  20.768   6.501 -19.535
  326    HA   PRO  48           HA       PRO  48  11.545   2.405 -15.377
  327   1HB   PRO  48          2HB       PRO  48   9.451   4.311 -16.269
  328   2HB   PRO  48          1HB       PRO  48   9.433   3.175 -14.915
  329   1HG   PRO  48          2HG       PRO  48   9.732   5.794 -14.505
  330   2HG   PRO  48          1HG       PRO  48  10.615   4.606 -13.528
  331   1HD   PRO  48          2HD       PRO  48  11.589   6.317 -15.774
  332   2HD   PRO  48          1HD       PRO  48  12.422   5.827 -14.283
  Start of MODEL    2
    1    H    VAL   1           H        VAL   1  -7.784  14.521  -2.521
    2    HA   VAL   1           HA       VAL   1  -9.540  14.221  -0.790
    3    HB   VAL   1           HB       VAL   1  -9.221  16.957  -2.060
    4   1HG1  VAL   1          1HG1      VAL   1 -10.321  17.920  -0.133
    5   2HG1  VAL   1          2HG1      VAL   1 -11.428  16.714  -0.832
    6   3HG1  VAL   1          3HG1      VAL   1 -10.494  16.323   0.632
    7   1HG2  VAL   1          1HG2      VAL   1  -7.722  17.333  -0.200
    8   2HG2  VAL   1          2HG2      VAL   1  -8.218  15.809   0.576
    9   3HG2  VAL   1          3HG2      VAL   1  -7.278  15.774  -0.935
   10    H    ASN   2           H        ASN   2 -10.539  14.397  -3.986
   11    HA   ASN   2           HA       ASN   2 -13.256  15.156  -3.508
   12   1HB   ASN   2          2HB       ASN   2 -13.632  14.556  -5.857
   13   2HB   ASN   2          1HB       ASN   2 -12.243  15.623  -5.672
   14   1HD2  ASN   2          1HD2      ASN   2 -13.345  12.463  -6.527
   15   2HD2  ASN   2          2HD2      ASN   2 -11.850  11.885  -7.170
   16    H    TYR   3           H        TYR   3 -11.551  12.097  -3.862
   17    HA   TYR   3           HA       TYR   3 -12.158   9.953  -3.376
   18   1HB   TYR   3          2HB       TYR   3 -14.603  11.301  -2.196
   19   2HB   TYR   3          1HB       TYR   3 -14.329   9.571  -2.157
   20    HD1  TYR   3          1HD       TYR   3 -14.163  12.390  -0.251
   21    HD2  TYR   3          2HD       TYR   3 -11.778   9.016  -1.265
   22    HE1  TYR   3          1HE       TYR   3 -12.918  12.649   1.848
   23    HE2  TYR   3          2HE       TYR   3 -10.523   9.266   0.837
   24    HH   TYR   3           HH       TYR   3 -11.442  10.687   3.356
   25    H    GLY   4           H        GLY   4 -12.262   9.508  -5.652
   26   1HA   GLY   4          2HA       GLY   4 -14.940   8.792  -6.541
   27   2HA   GLY   4          1HA       GLY   4 -14.147  10.025  -7.507
   28    H    ASN   5           H        ASN   5 -13.335   6.874  -6.066
   29    HA   ASN   5           HA       ASN   5 -12.767   5.718  -8.624
   30   1HB   ASN   5          2HB       ASN   5 -10.519   6.582  -6.834
   31   2HB   ASN   5          1HB       ASN   5 -10.336   5.161  -7.858
   32   1HD2  ASN   5          1HD2      ASN   5 -11.492   5.783 -10.151
   33   2HD2  ASN   5          2HD2      ASN   5 -10.763   7.169 -10.880
   34    H    GLY   6           H        GLY   6 -11.596   5.265  -5.273
   35   1HA   GLY   6          2HA       GLY   6 -13.301   3.005  -4.829
   36   2HA   GLY   6          1HA       GLY   6 -11.652   2.514  -5.190
   37    H    VAL   7           H        VAL   7 -10.053   4.147  -3.898
   38    HA   VAL   7           HA       VAL   7  -9.141   4.662  -1.886
   39    HB   VAL   7           HB       VAL   7 -11.966   4.914  -0.855
   40   1HG1  VAL   7          1HG1      VAL   7  -9.978   4.873   0.743
   41   2HG1  VAL   7          2HG1      VAL   7 -11.079   6.246   0.861
   42   3HG1  VAL   7          3HG1      VAL   7  -9.530   6.424   0.038
   43   1HG2  VAL   7          1HG2      VAL   7 -11.344   6.234  -2.990
   44   2HG2  VAL   7          2HG2      VAL   7 -10.341   7.199  -1.908
   45   3HG2  VAL   7          3HG2      VAL   7 -12.081   7.097  -1.641
   46    H    SER   8           H        SER   8 -12.095   2.842  -0.977
   47    HA   SER   8           HA       SER   8 -12.386   1.090   0.467
   48   1HB   SER   8          2HB       SER   8 -10.201  -0.570   0.001
   49   2HB   SER   8          1HB       SER   8 -11.726  -0.583  -0.883
   50    HG   SER   8           HG       SER   8  -9.255   0.226  -1.693
   51    H    CYS   9           H        CYS   9 -12.109   2.078   2.459
   52    HA   CYS   9           HA       CYS   9 -11.174   2.540   4.478
   53   1HB   CYS   9          2HB       CYS   9  -9.181   0.344   3.962
   54   2HB   CYS   9          1HB       CYS   9  -9.936   0.811   5.482
   55    H    SER  10           H        SER  10 -10.339   4.567   3.974
   56    HA   SER  10           HA       SER  10  -7.670   4.817   2.911
   57   1HB   SER  10          2HB       SER  10  -9.663   6.455   2.583
   58   2HB   SER  10          1HB       SER  10  -9.208   7.073   4.171
   59    HG   SER  10           HG       SER  10  -8.198   7.870   1.985
   60    H    LYS  11           H        LYS  11  -6.825   3.421   4.674
   61    HA   LYS  11           HA       LYS  11  -5.637   3.102   6.580
   62   1HB   LYS  11          2HB       LYS  11  -4.667   5.350   5.488
   63   2HB   LYS  11          1HB       LYS  11  -5.224   6.006   7.019
   64   1HG   LYS  11          2HG       LYS  11  -3.674   3.525   7.235
   65   2HG   LYS  11          1HG       LYS  11  -2.786   4.909   6.596
   66   1HD   LYS  11          2HD       LYS  11  -4.220   5.943   8.738
   67   2HD   LYS  11          1HD       LYS  11  -3.674   4.362   9.303
   68   1HE   LYS  11          2HE       LYS  11  -1.384   4.921   8.756
   69   2HE   LYS  11          1HE       LYS  11  -1.895   6.464   8.069
   70   1HZ   LYS  11          1HZ       LYS  11  -2.868   6.846  10.417
   71   2HZ   LYS  11          2HZ       LYS  11  -1.208   7.054  10.169
   72   3HZ   LYS  11          3HZ       LYS  11  -1.781   5.637  10.891
   73    H    THR  12           H        THR  12  -8.380   3.202   6.978
   74    HA   THR  12           HA       THR  12  -8.812   4.810   9.355
   75    HB   THR  12           HB       THR  12 -10.704   2.894   7.960
   76    HG1  THR  12          1HG       THR  12 -10.608   5.719   7.825
   77   1HG2  THR  12          1HG2      THR  12 -12.204   3.295   9.533
   78   2HG2  THR  12          2HG2      THR  12 -11.995   5.034   9.331
   79   3HG2  THR  12          3HG2      THR  12 -10.970   4.148  10.459
   80    H    LYS  13           H        LYS  13  -9.926   1.477   8.866
   81    HA   LYS  13           HA       LYS  13  -8.121   0.449  10.849
   82   1HB   LYS  13          2HB       LYS  13  -9.996  -0.329  12.348
   83   2HB   LYS  13          1HB       LYS  13  -9.658   1.397  12.387
   84   1HG   LYS  13          2HG       LYS  13 -11.626   1.949  11.362
   85   2HG   LYS  13          1HG       LYS  13 -11.739   0.405  10.515
   86   1HD   LYS  13          2HD       LYS  13 -12.057  -0.606  12.865
   87   2HD   LYS  13          1HD       LYS  13 -12.426   1.047  13.360
   88   1HE   LYS  13          2HE       LYS  13 -14.415   1.058  12.298
   89   2HE   LYS  13          1HE       LYS  13 -13.809   0.115  10.935
   90   1HZ   LYS  13          1HZ       LYS  13 -15.491  -1.055  12.289
   91   2HZ   LYS  13          2HZ       LYS  13 -14.430  -1.020  13.605
   92   3HZ   LYS  13          3HZ       LYS  13 -14.015  -1.882  12.211
   93    H    CYS  14           H        CYS  14  -8.640  -0.228   8.137
   94    HA   CYS  14           HA       CYS  14 -10.213  -2.669   8.215
   95   1HB   CYS  14          2HB       CYS  14  -9.056  -0.967   6.082
   96   2HB   CYS  14          1HB       CYS  14  -9.235  -2.683   5.715
   97    H    SER  15           H        SER  15  -9.316  -4.678   7.211
   98    HA   SER  15           HA       SER  15  -6.511  -5.104   8.059
   99   1HB   SER  15          2HB       SER  15  -8.808  -7.066   8.144
  100   2HB   SER  15          1HB       SER  15  -7.149  -7.391   8.639
  101    HG   SER  15           HG       SER  15  -7.495  -6.372  10.461
  102    H    VAL  16           H        VAL  16  -8.615  -5.241   5.420
  103    HA   VAL  16           HA       VAL  16  -6.581  -6.290   3.713
  104    HB   VAL  16           HB       VAL  16  -7.480  -8.427   4.569
  105   1HG1  VAL  16          1HG1      VAL  16  -9.667  -8.997   4.601
  106   2HG1  VAL  16          2HG1      VAL  16 -10.043  -8.079   3.143
  107   3HG1  VAL  16          3HG1      VAL  16  -9.875  -7.249   4.691
  108   1HG2  VAL  16          1HG2      VAL  16  -8.238  -9.328   2.258
  109   2HG2  VAL  16          2HG2      VAL  16  -6.607  -8.680   2.426
  110   3HG2  VAL  16          3HG2      VAL  16  -7.873  -7.700   1.685
  111    H    ASN  17           H        ASN  17  -6.737  -4.603   2.438
  112    HA   ASN  17           HA       ASN  17  -9.213  -4.220   0.902
  113   1HB   ASN  17          2HB       ASN  17  -8.637  -1.730   0.956
  114   2HB   ASN  17          1HB       ASN  17  -9.292  -2.413   2.441
  115   1HD2  ASN  17          1HD2      ASN  17  -7.397  -0.128   1.704
  116   2HD2  ASN  17          2HD2      ASN  17  -6.083  -0.325   2.807
  117    H    TRP  18           H        TRP  18  -8.891  -3.826  -1.266
  118    HA   TRP  18           HA       TRP  18  -6.609  -4.711  -2.511
  119   1HB   TRP  18          2HB       TRP  18  -8.991  -3.197  -3.335
  120   2HB   TRP  18          1HB       TRP  18  -7.583  -2.886  -4.347
  121    HD1  TRP  18           HD       TRP  18  -6.283  -5.686  -4.559
  122    HE1  TRP  18          1HE       TRP  18  -7.479  -7.647  -5.713
  123    HE3  TRP  18          3HE       TRP  18 -11.096  -3.968  -4.313
  124    HZ2  TRP  18          2HZ       TRP  18 -10.106  -8.371  -6.431
  125    HZ3  TRP  18          3HZ       TRP  18 -12.890  -5.357  -5.267
  126    HH2  TRP  18           HH       TRP  18 -12.403  -7.512  -6.305
  127    H    GLY  19           H        GLY  19  -7.267  -1.553  -1.181
  128   1HA   GLY  19          2HA       GLY  19  -5.301  -0.072  -2.562
  129   2HA   GLY  19          1HA       GLY  19  -5.989   0.351  -1.001
  130    H    GLN  20           H        GLN  20  -5.137  -1.160   0.841
  131    HA   GLN  20           HA       GLN  20  -2.331  -0.705   0.978
  132   1HB   GLN  20          2HB       GLN  20  -4.297  -2.058   2.808
  133   2HB   GLN  20          1HB       GLN  20  -2.575  -2.016   3.171
  134   1HG   GLN  20          2HG       GLN  20  -4.017   0.515   2.534
  135   2HG   GLN  20          1HG       GLN  20  -4.156  -0.199   4.142
  136   1HE2  GLN  20          1HE2      GLN  20  -3.100   1.596   5.043
  137   2HE2  GLN  20          2HE2      GLN  20  -1.392   1.808   4.899
  138    H    ALA  21           H        ALA  21  -4.289  -3.535   0.306
  139    HA   ALA  21           HA       ALA  21  -2.387  -5.544   0.689
  140   1HB   ALA  21          1HB       ALA  21  -4.811  -5.896   0.239
  141   2HB   ALA  21          2HB       ALA  21  -3.750  -6.911  -0.738
  142   3HB   ALA  21          3HB       ALA  21  -4.510  -5.488  -1.451
  143    H    PHE  22           H        PHE  22  -3.351  -4.295  -2.501
  144    HA   PHE  22           HA       PHE  22  -1.200  -5.353  -3.885
  145   1HB   PHE  22          2HB       PHE  22  -3.237  -4.298  -4.939
  146   2HB   PHE  22          1HB       PHE  22  -2.510  -2.723  -4.613
  147    HD1  PHE  22          1HD       PHE  22  -1.189  -5.955  -5.932
  148    HD2  PHE  22          2HD       PHE  22  -1.700  -1.782  -6.486
  149    HE1  PHE  22          1HE       PHE  22   0.171  -6.063  -7.961
  150    HE2  PHE  22          2HE       PHE  22  -0.358  -1.877  -8.518
  151    HZ   PHE  22           HZ       PHE  22   0.585  -4.020  -9.281
  152    H    GLN  23           H        GLN  23  -1.357  -2.268  -2.111
  153    HA   GLN  23           HA       GLN  23   1.095  -1.315  -3.265
  154   1HB   GLN  23          2HB       GLN  23  -0.887  -0.290  -1.371
  155   2HB   GLN  23          1HB       GLN  23   0.752   0.073  -0.863
  156   1HG   GLN  23          2HG       GLN  23   1.070   0.885  -3.295
  157   2HG   GLN  23          1HG       GLN  23  -0.693   0.953  -3.321
  158   1HE2  GLN  23          1HE2      GLN  23  -1.165   1.784  -0.706
  159   2HE2  GLN  23          2HE2      GLN  23  -0.565   3.393  -0.516
  160    H    GLU  24           H        GLU  24   0.190  -2.943  -0.273
  161    HA   GLU  24           HA       GLU  24   2.740  -2.755   0.954
  162   1HB   GLU  24          2HB       GLU  24   0.532  -3.284   2.100
  163   2HB   GLU  24          1HB       GLU  24   0.677  -4.907   1.437
  164   1HG   GLU  24          2HG       GLU  24   1.552  -5.188   3.534
  165   2HG   GLU  24          1HG       GLU  24   3.006  -4.878   2.585
  166    H    ARG  25           H        ARG  25   1.285  -4.837  -1.377
  167    HA   ARG  25           HA       ARG  25   3.257  -6.913  -1.230
  168   1HB   ARG  25          2HB       ARG  25   0.678  -6.741  -2.140
  169   2HB   ARG  25          1HB       ARG  25   1.583  -6.701  -3.647
  170   1HG   ARG  25          2HG       ARG  25   2.827  -8.746  -2.683
  171   2HG   ARG  25          1HG       ARG  25   1.456  -8.849  -1.578
  172   1HD   ARG  25          2HD       ARG  25  -0.059  -9.256  -3.302
  173   2HD   ARG  25          1HD       ARG  25   1.031  -8.629  -4.535
  174    HE   ARG  25           HE       ARG  25   0.997 -11.300  -3.430
  175   1HH1  ARG  25          1HH1      ARG  25   2.830  -8.921  -5.210
  176   2HH1  ARG  25          2HH1      ARG  25   3.855 -10.094  -5.965
  177   1HH2  ARG  25          1HH2      ARG  25   2.346 -12.844  -4.425
  178   2HH2  ARG  25          2HH2      ARG  25   3.581 -12.319  -5.520
  179    H    TYR  26           H        TYR  26   2.361  -4.492  -3.697
  180    HA   TYR  26           HA       TYR  26   4.678  -5.052  -5.292
  181   1HB   TYR  26          2HB       TYR  26   3.628  -3.876  -6.886
  182   2HB   TYR  26          1HB       TYR  26   2.258  -4.067  -5.812
  183    HD1  TYR  26          1HD       TYR  26   4.887  -1.653  -6.845
  184    HD2  TYR  26          2HD       TYR  26   1.202  -2.234  -4.915
  185    HE1  TYR  26          1HE       TYR  26   4.479   0.760  -6.865
  186    HE2  TYR  26          2HE       TYR  26   0.731   0.144  -4.966
  187    HH   TYR  26           HH       TYR  26   2.018   2.251  -5.086
  188    H    THR  27           H        THR  27   3.705  -2.113  -3.473
  189    HA   THR  27           HA       THR  27   6.036  -0.677  -3.939
  190    HB   THR  27           HB       THR  27   4.605  -0.508  -1.303
  191    HG1  THR  27          1HG       THR  27   2.816  -0.121  -2.287
  192   1HG2  THR  27          1HG2      THR  27   4.784   2.013  -2.299
  193   2HG2  THR  27          2HG2      THR  27   6.269   1.276  -2.910
  194   3HG2  THR  27          3HG2      THR  27   5.931   1.279  -1.179
  195    H    ALA  28           H        ALA  28   5.404  -3.249  -1.665
  196    HA   ALA  28           HA       ALA  28   7.717  -2.894  -0.073
  197   1HB   ALA  28          1HB       ALA  28   7.338  -5.314   0.538
  198   2HB   ALA  28          2HB       ALA  28   5.978  -5.297  -0.583
  199   3HB   ALA  28          3HB       ALA  28   5.975  -4.232   0.822
  200    H    GLY  29           H        GLY  29   7.064  -5.080  -2.814
  201   1HA   GLY  29          2HA       GLY  29   9.686  -6.170  -2.879
  202   2HA   GLY  29          1HA       GLY  29   8.491  -6.280  -4.160
  203    H    ILE  30           H        ILE  30   8.149  -3.538  -4.692
  204    HA   ILE  30           HA       ILE  30  10.371  -3.101  -6.417
  205    HB   ILE  30           HB       ILE  30   8.058  -2.387  -6.961
  206   1HG1  ILE  30          2HG1      ILE  30   8.675  -0.185  -7.917
  207   2HG1  ILE  30          1HG1      ILE  30  10.118  -0.169  -6.909
  208   1HG2  ILE  30          1HG2      ILE  30   8.451  -0.044  -5.139
  209   2HG2  ILE  30          2HG2      ILE  30   7.674  -1.524  -4.580
  210   3HG2  ILE  30          3HG2      ILE  30   6.973  -0.612  -5.917
  211   1HD1  ILE  30          1HD1      ILE  30  10.312  -0.891  -9.368
  212   2HD1  ILE  30          2HD1      ILE  30   9.618  -2.416  -8.814
  213   3HD1  ILE  30          3HD1      ILE  30  11.142  -1.842  -8.136
  214    H    ASN  31           H        ASN  31   9.269  -1.571  -3.405
  215    HA   ASN  31           HA       ASN  31  11.217   0.461  -3.335
  216   1HB   ASN  31          2HB       ASN  31   9.165   0.403  -1.889
  217   2HB   ASN  31          1HB       ASN  31   9.926  -0.875  -0.938
  218   1HD2  ASN  31          1HD2      ASN  31   9.154   2.124  -0.630
  219   2HD2  ASN  31          2HD2      ASN  31  10.522   2.776   0.198
  220    H    SER  32           H        SER  32  11.182  -2.829  -2.008
  221    HA   SER  32           HA       SER  32  13.614  -2.694  -0.637
  222   1HB   SER  32          2HB       SER  32  11.939  -4.914  -1.730
  223   2HB   SER  32          1HB       SER  32  13.596  -5.291  -1.257
  224    HG   SER  32           HG       SER  32  13.138  -4.815   0.799
  225    H    PHE  33           H        PHE  33  12.908  -3.382  -4.015
  226    HA   PHE  33           HA       PHE  33  15.432  -4.302  -4.806
  227   1HB   PHE  33          2HB       PHE  33  14.114  -4.565  -6.623
  228   2HB   PHE  33          1HB       PHE  33  13.022  -3.287  -6.113
  229    HD1  PHE  33          1HD       PHE  33  13.286  -1.030  -6.906
  230    HD2  PHE  33          2HD       PHE  33  16.031  -4.065  -8.052
  231    HE1  PHE  33          1HE       PHE  33  14.171   0.447  -8.653
  232    HE2  PHE  33          2HE       PHE  33  16.922  -2.597  -9.812
  233    HZ   PHE  33           HZ       PHE  33  15.993  -0.335 -10.115
  234    H    VAL  34           H        VAL  34  14.176  -1.055  -4.340
  235    HA   VAL  34           HA       VAL  34  16.368   0.283  -5.577
  236    HB   VAL  34           HB       VAL  34  14.618   1.541  -3.493
  237   1HG1  VAL  34          1HG1      VAL  34  14.841   3.421  -5.250
  238   2HG1  VAL  34          2HG1      VAL  34  16.185   2.461  -5.868
  239   3HG1  VAL  34          3HG1      VAL  34  16.214   3.056  -4.208
  240   1HG2  VAL  34          1HG2      VAL  34  13.149   2.100  -5.561
  241   2HG2  VAL  34          2HG2      VAL  34  12.953   0.543  -4.756
  242   3HG2  VAL  34          3HG2      VAL  34  13.879   0.652  -6.251
  243    H    SER  35           H        SER  35  15.417   0.162  -2.165
  244    HA   SER  35           HA       SER  35  17.629   1.317  -1.050
  245   1HB   SER  35          2HB       SER  35  15.992  -0.988   0.012
  246   2HB   SER  35          1HB       SER  35  17.171  -0.094   0.971
  247    HG   SER  35           HG       SER  35  14.872   0.989  -0.293
  248    H    GLY  36           H        GLY  36  17.199  -2.200  -1.484
  249   1HA   GLY  36          2HA       GLY  36  19.751  -2.978  -0.670
  250   2HA   GLY  36          1HA       GLY  36  18.738  -3.885  -1.782
  251    H    VAL  37           H        VAL  37  18.592  -2.360  -3.972
  252    HA   VAL  37           HA       VAL  37  21.080  -2.780  -5.231
  253    HB   VAL  37           HB       VAL  37  18.625  -1.244  -6.095
  254   1HG1  VAL  37          1HG1      VAL  37  21.083  -1.867  -7.724
  255   2HG1  VAL  37          2HG1      VAL  37  20.497  -0.267  -7.269
  256   3HG1  VAL  37          3HG1      VAL  37  19.556  -1.269  -8.372
  257   1HG2  VAL  37          1HG2      VAL  37  18.039  -3.143  -7.321
  258   2HG2  VAL  37          2HG2      VAL  37  18.642  -3.791  -5.798
  259   3HG2  VAL  37          3HG2      VAL  37  19.666  -3.816  -7.233
  260    H    ALA  38           H        ALA  38  19.735  -0.075  -3.513
  261    HA   ALA  38           HA       ALA  38  21.557   1.874  -4.616
  262   1HB   ALA  38          1HB       ALA  38  19.568   1.919  -2.369
  263   2HB   ALA  38          2HB       ALA  38  19.511   2.769  -3.913
  264   3HB   ALA  38          3HB       ALA  38  20.661   3.270  -2.673
  265    H    SER  39           H        SER  39  21.587  -0.395  -2.005
  266    HA   SER  39           HA       SER  39  23.621   0.925  -0.473
  267   1HB   SER  39          2HB       SER  39  21.825  -1.024   0.110
  268   2HB   SER  39          1HB       SER  39  23.277  -1.993  -0.135
  269    HG   SER  39           HG       SER  39  22.611  -0.495   1.970
  270    H    GLY  40           H        GLY  40  23.573  -1.895  -2.644
  271   1HA   GLY  40          2HA       GLY  40  26.486  -2.039  -2.549
  272   2HA   GLY  40          1HA       GLY  40  25.413  -3.177  -3.343
  273    H    ALA  41           H        ALA  41  23.982  -0.953  -4.734
  274    HA   ALA  41           HA       ALA  41  24.089   0.196  -6.719
  275   1HB   ALA  41          1HB       ALA  41  25.911   1.528  -7.174
  276   2HB   ALA  41          2HB       ALA  41  27.053   0.392  -6.455
  277   3HB   ALA  41          3HB       ALA  41  25.981   1.340  -5.422
  278    H    GLY  42           H        GLY  42  23.556  -1.934  -7.536
  279   1HA   GLY  42          2HA       GLY  42  25.714  -3.141  -9.180
  280   2HA   GLY  42          1HA       GLY  42  24.314  -4.015  -8.581
  281    H    SER  43           H        SER  43  24.281  -0.801 -10.052
  282    HA   SER  43           HA       SER  43  22.556  -1.899 -12.177
  283   1HB   SER  43          2HB       SER  43  21.805   0.490 -12.448
  284   2HB   SER  43          1HB       SER  43  21.409  -0.230 -10.888
  285    HG   SER  43           HG       SER  43  22.325   1.917 -10.778
  286    H    ILE  44           H        ILE  44  25.683  -1.370 -11.881
  287    HA   ILE  44           HA       ILE  44  25.973  -0.195 -14.578
  288    HB   ILE  44           HB       ILE  44  28.231   0.579 -13.860
  289   1HG1  ILE  44          2HG1      ILE  44  27.386   0.476 -11.016
  290   2HG1  ILE  44          1HG1      ILE  44  27.938  -1.038 -11.727
  291   1HG2  ILE  44          1HG2      ILE  44  27.448   2.605 -13.029
  292   2HG2  ILE  44          2HG2      ILE  44  26.137   1.841 -12.131
  293   3HG2  ILE  44          3HG2      ILE  44  26.056   1.948 -13.889
  294   1HD1  ILE  44          1HD1      ILE  44  29.894   0.625 -12.545
  295   2HD1  ILE  44          2HD1      ILE  44  29.947  -0.311 -11.050
  296   3HD1  ILE  44          3HD1      ILE  44  29.442   1.379 -11.016
  297    H    GLY  45           H        GLY  45  26.471  -2.922 -12.650
  298   1HA   GLY  45          2HA       GLY  45  27.240  -4.988 -13.461
  299   2HA   GLY  45          1HA       GLY  45  28.014  -4.148 -14.798
  300    H    ARG  46           H        ARG  46  29.238  -2.193 -12.901
  301    HA   ARG  46           HA       ARG  46  31.179  -1.925 -11.721
  302   1HB   ARG  46          2HB       ARG  46  29.902  -3.918 -10.385
  303   2HB   ARG  46          1HB       ARG  46  31.386  -4.741 -10.841
  304   1HG   ARG  46          2HG       ARG  46  32.435  -2.480  -9.884
  305   2HG   ARG  46          1HG       ARG  46  30.947  -2.529  -8.936
  306   1HD   ARG  46          2HD       ARG  46  31.549  -4.443  -7.836
  307   2HD   ARG  46          1HD       ARG  46  32.550  -5.020  -9.167
  308    HE   ARG  46           HE       ARG  46  33.569  -2.674  -7.838
  309   1HH1  ARG  46          1HH1      ARG  46  33.521  -6.164  -7.894
  310   2HH1  ARG  46          2HH1      ARG  46  35.028  -6.322  -7.056
  311   1HH2  ARG  46          1HH2      ARG  46  35.551  -2.882  -6.736
  312   2HH2  ARG  46          2HH2      ARG  46  36.180  -4.460  -6.399
  313    H    ARG  47           H        ARG  47  33.024  -1.690 -12.777
  314    HA   ARG  47           HA       ARG  47  34.459  -4.001 -13.787
  315   1HB   ARG  47          2HB       ARG  47  33.484  -1.790 -15.596
  316   2HB   ARG  47          1HB       ARG  47  34.858  -2.806 -16.005
  317   1HG   ARG  47          2HG       ARG  47  33.505  -4.754 -16.088
  318   2HG   ARG  47          1HG       ARG  47  32.132  -3.904 -15.387
  319   1HD   ARG  47          2HD       ARG  47  33.326  -2.935 -17.946
  320   2HD   ARG  47          1HD       ARG  47  32.240  -4.324 -17.959
  321    HE   ARG  47           HE       ARG  47  31.137  -2.118 -16.526
  322   1HH1  ARG  47          1HH1      ARG  47  31.672  -3.395 -19.730
  323   2HH1  ARG  47          2HH1      ARG  47  30.342  -2.538 -20.431
  324   1HH2  ARG  47          1HH2      ARG  47  29.382  -0.991 -17.447
  325   2HH2  ARG  47          2HH2      ARG  47  29.041  -1.172 -19.135
  326    HA   PRO  48           HA       PRO  48  37.883  -1.530 -12.495
  327   1HB   PRO  48          2HB       PRO  48  39.911  -2.553 -13.941
  328   2HB   PRO  48          1HB       PRO  48  39.122  -3.473 -12.655
  329   1HG   PRO  48          2HG       PRO  48  38.704  -3.617 -15.617
  330   2HG   PRO  48          1HG       PRO  48  38.842  -4.938 -14.442
  331   1HD   PRO  48          2HD       PRO  48  36.454  -4.040 -15.401
  332   2HD   PRO  48          1HD       PRO  48  36.648  -4.751 -13.784
  Start of MODEL    3
    1    H    VAL   1           H        VAL   1 -28.757  22.158  -6.672
    2    HA   VAL   1           HA       VAL   1 -26.953  20.493  -7.045
    3    HB   VAL   1           HB       VAL   1 -25.609  21.797  -8.585
    4   1HG1  VAL   1          1HG1      VAL   1 -27.809  21.469  -9.425
    5   2HG1  VAL   1          2HG1      VAL   1 -28.506  22.652  -8.292
    6   3HG1  VAL   1          3HG1      VAL   1 -27.499  23.207  -9.651
    7   1HG2  VAL   1          1HG2      VAL   1 -25.705  24.279  -8.558
    8   2HG2  VAL   1          2HG2      VAL   1 -26.704  24.216  -7.086
    9   3HG2  VAL   1          3HG2      VAL   1 -25.023  23.634  -7.045
   10    H    ASN   2           H        ASN   2 -24.389  20.591  -7.123
   11    HA   ASN   2           HA       ASN   2 -23.168  21.869  -4.878
   12   1HB   ASN   2          2HB       ASN   2 -24.450  19.775  -4.013
   13   2HB   ASN   2          1HB       ASN   2 -23.107  18.883  -4.720
   14   1HD2  ASN   2          1HD2      ASN   2 -24.045  19.411  -1.906
   15   2HD2  ASN   2          2HD2      ASN   2 -22.628  19.955  -1.079
   16    H    TYR   3           H        TYR   3 -22.905  19.230  -7.221
   17    HA   TYR   3           HA       TYR   3 -20.021  19.394  -7.339
   18   1HB   TYR   3          2HB       TYR   3 -20.376  17.785  -9.296
   19   2HB   TYR   3          1HB       TYR   3 -20.904  17.236  -7.710
   20    HD1  TYR   3          1HD       TYR   3 -23.158  16.656  -7.314
   21    HD2  TYR   3          2HD       TYR   3 -22.096  18.624 -10.927
   22    HE1  TYR   3          1HE       TYR   3 -25.407  16.228  -8.204
   23    HE2  TYR   3          2HE       TYR   3 -24.341  18.204 -11.825
   24    HH   TYR   3           HH       TYR   3 -26.382  16.008 -10.705
   25    H    GLY   4           H        GLY   4 -22.751  20.519  -9.283
   26   1HA   GLY   4          2HA       GLY   4 -22.870  21.937 -11.087
   27   2HA   GLY   4          1HA       GLY   4 -21.446  22.694 -10.395
   28    H    ASN   5           H        ASN   5 -22.403  19.906 -12.399
   29    HA   ASN   5           HA       ASN   5 -21.443  18.963 -14.233
   30   1HB   ASN   5          2HB       ASN   5 -21.381  21.604 -14.732
   31   2HB   ASN   5          1HB       ASN   5 -19.650  21.281 -14.741
   32   1HD2  ASN   5          1HD2      ASN   5 -19.275  19.009 -15.941
   33   2HD2  ASN   5          2HD2      ASN   5 -19.954  18.973 -17.529
   34    H    GLY   6           H        GLY   6 -20.276  18.446 -11.712
   35   1HA   GLY   6          2HA       GLY   6 -17.515  17.838 -12.570
   36   2HA   GLY   6          1HA       GLY   6 -17.813  18.532 -10.983
   37    H    VAL   7           H        VAL   7 -19.868  16.163 -12.560
   38    HA   VAL   7           HA       VAL   7 -19.511  14.373 -10.297
   39    HB   VAL   7           HB       VAL   7 -21.781  14.790 -11.140
   40   1HG1  VAL   7          1HG1      VAL   7 -20.706  14.712 -13.623
   41   2HG1  VAL   7          2HG1      VAL   7 -22.430  14.579 -13.278
   42   3HG1  VAL   7          3HG1      VAL   7 -21.468  13.123 -13.531
   43   1HG2  VAL   7          1HG2      VAL   7 -20.767  12.436 -10.306
   44   2HG2  VAL   7          2HG2      VAL   7 -21.454  11.958 -11.858
   45   3HG2  VAL   7          3HG2      VAL   7 -22.477  12.709 -10.634
   46    H    SER   8           H        SER   8 -17.815  13.048 -10.359
   47    HA   SER   8           HA       SER   8 -17.442  11.339 -12.686
   48   1HB   SER   8          2HB       SER   8 -15.909  12.998 -13.341
   49   2HB   SER   8          1HB       SER   8 -15.349  13.269 -11.690
   50    HG   SER   8           HG       SER   8 -14.900  10.969 -13.294
   51    H    CYS   9           H        CYS   9 -17.712   9.442 -11.723
   52    HA   CYS   9           HA       CYS   9 -15.812   8.590  -9.714
   53   1HB   CYS   9          2HB       CYS   9 -17.508   9.555  -8.282
   54   2HB   CYS   9          1HB       CYS   9 -18.786   8.710  -9.148
   55    H    SER  10           H        SER  10 -15.080   6.876 -10.888
   56    HA   SER  10           HA       SER  10 -16.806   4.611 -11.228
   57   1HB   SER  10          2HB       SER  10 -15.739   5.976 -13.708
   58   2HB   SER  10          1HB       SER  10 -16.558   4.415 -13.670
   59    HG   SER  10           HG       SER  10 -17.976   6.143 -14.200
   60    H    LYS  11           H        LYS  11 -15.285   3.504 -10.006
   61    HA   LYS  11           HA       LYS  11 -13.557   2.044  -9.751
   62   1HB   LYS  11          2HB       LYS  11 -13.715   2.253 -12.538
   63   2HB   LYS  11          1HB       LYS  11 -12.023   2.521 -12.160
   64   1HG   LYS  11          2HG       LYS  11 -12.615   0.151 -12.630
   65   2HG   LYS  11          1HG       LYS  11 -11.849   0.413 -11.063
   66   1HD   LYS  11          2HD       LYS  11 -13.747  -0.092  -9.897
   67   2HD   LYS  11          1HD       LYS  11 -14.816   0.489 -11.175
   68   1HE   LYS  11          2HE       LYS  11 -15.035  -1.894 -11.021
   69   2HE   LYS  11          1HE       LYS  11 -14.197  -1.504 -12.522
   70   1HZ   LYS  11          1HZ       LYS  11 -12.574  -2.060 -10.152
   71   2HZ   LYS  11          2HZ       LYS  11 -12.257  -2.394 -11.779
   72   3HZ   LYS  11          3HZ       LYS  11 -13.333  -3.369 -10.911
   73    H    THR  12           H        THR  12 -13.419   5.204  -9.693
   74    HA   THR  12           HA       THR  12 -10.713   5.231  -8.640
   75    HB   THR  12           HB       THR  12 -10.615   7.580  -9.993
   76    HG1  THR  12          1HG       THR  12 -11.928   7.541 -11.603
   77   1HG2  THR  12          1HG2      THR  12  -9.087   5.380  -9.979
   78   2HG2  THR  12          2HG2      THR  12  -8.845   6.739 -11.080
   79   3HG2  THR  12          3HG2      THR  12  -9.721   5.307 -11.623
   80    H    LYS  13           H        LYS  13 -10.248   7.148  -7.399
   81    HA   LYS  13           HA       LYS  13 -10.716   8.760  -5.880
   82   1HB   LYS  13          2HB       LYS  13 -12.347   9.434  -8.029
   83   2HB   LYS  13          1HB       LYS  13 -13.443   9.421  -6.654
   84   1HG   LYS  13          2HG       LYS  13 -11.221  10.760  -5.710
   85   2HG   LYS  13          1HG       LYS  13 -11.389  11.331  -7.370
   86   1HD   LYS  13          2HD       LYS  13 -12.658  12.786  -5.959
   87   2HD   LYS  13          1HD       LYS  13 -13.796  11.801  -6.881
   88   1HE   LYS  13          2HE       LYS  13 -14.725  11.583  -4.814
   89   2HE   LYS  13          1HE       LYS  13 -13.585  10.239  -4.747
   90   1HZ   LYS  13          1HZ       LYS  13 -13.134  12.958  -3.642
   91   2HZ   LYS  13          2HZ       LYS  13 -12.018  11.688  -3.598
   92   3HZ   LYS  13          3HZ       LYS  13 -13.473  11.565  -2.745
   93    H    CYS  14           H        CYS  14 -13.942   7.405  -6.518
   94    HA   CYS  14           HA       CYS  14 -14.553   7.219  -3.748
   95   1HB   CYS  14          2HB       CYS  14 -16.008   5.701  -5.896
   96   2HB   CYS  14          1HB       CYS  14 -16.652   6.377  -4.404
   97    H    SER  15           H        SER  15 -12.999   5.960  -2.751
   98    HA   SER  15           HA       SER  15 -12.078   4.045  -1.938
   99   1HB   SER  15          2HB       SER  15 -13.965   2.269  -3.385
  100   2HB   SER  15          1HB       SER  15 -13.463   2.240  -1.695
  101    HG   SER  15           HG       SER  15 -14.828   4.038  -1.341
  102    H    VAL  16           H        VAL  16 -11.252   1.768  -2.744
  103    HA   VAL  16           HA       VAL  16 -10.724   1.558  -5.539
  104    HB   VAL  16           HB       VAL  16  -9.137   3.346  -4.971
  105   1HG1  VAL  16          1HG1      VAL  16  -7.417   3.126  -3.404
  106   2HG1  VAL  16          2HG1      VAL  16  -7.626   1.379  -3.281
  107   3HG1  VAL  16          3HG1      VAL  16  -8.829   2.461  -2.580
  108   1HG2  VAL  16          1HG2      VAL  16  -8.082   0.656  -5.776
  109   2HG2  VAL  16          2HG2      VAL  16  -7.043   2.082  -5.741
  110   3HG2  VAL  16          3HG2      VAL  16  -8.461   2.048  -6.791
  111    H    ASN  17           H        ASN  17 -10.988  -0.542  -5.766
  112    HA   ASN  17           HA       ASN  17 -10.482  -2.429  -3.698
  113   1HB   ASN  17          2HB       ASN  17 -12.063  -2.472  -5.870
  114   2HB   ASN  17          1HB       ASN  17 -10.689  -3.366  -6.512
  115   1HD2  ASN  17          1HD2      ASN  17 -12.137  -5.167  -6.646
  116   2HD2  ASN  17          2HD2      ASN  17 -12.466  -6.121  -5.244
  117    H    TRP  18           H        TRP  18  -8.973  -4.137  -3.679
  118    HA   TRP  18           HA       TRP  18  -6.819  -4.878  -3.607
  119   1HB   TRP  18          2HB       TRP  18  -5.908  -5.566  -5.680
  120   2HB   TRP  18          1HB       TRP  18  -7.648  -5.618  -5.906
  121    HD1  TRP  18           HD       TRP  18  -4.598  -3.452  -6.871
  122    HE1  TRP  18          1HE       TRP  18  -5.161  -2.177  -9.025
  123    HE3  TRP  18          3HE       TRP  18  -9.484  -4.850  -7.383
  124    HZ2  TRP  18          2HZ       TRP  18  -7.375  -1.814 -10.725
  125    HZ3  TRP  18          3HZ       TRP  18 -10.753  -3.997  -9.310
  126    HH2  TRP  18           HH       TRP  18  -9.719  -2.510 -10.946
  127    H    GLY  19           H        GLY  19  -7.256  -1.992  -3.188
  128   1HA   GLY  19          2HA       GLY  19  -4.850  -0.765  -4.294
  129   2HA   GLY  19          1HA       GLY  19  -6.065   0.024  -3.300
  130    H    GLN  20           H        GLN  20  -6.198  -1.618  -1.136
  131    HA   GLN  20           HA       GLN  20  -3.938  -0.783   0.357
  132   1HB   GLN  20          2HB       GLN  20  -6.207  -2.663   1.021
  133   2HB   GLN  20          1HB       GLN  20  -4.986  -2.164   2.184
  134   1HG   GLN  20          2HG       GLN  20  -6.772  -0.736   2.594
  135   2HG   GLN  20          1HG       GLN  20  -5.674   0.230   1.608
  136   1HE2  GLN  20          1HE2      GLN  20  -8.589  -1.742   1.508
  137   2HE2  GLN  20          2HE2      GLN  20  -9.290  -0.965   0.134
  138    H    ALA  21           H        ALA  21  -4.895  -3.873  -1.048
  139    HA   ALA  21           HA       ALA  21  -2.778  -5.382   0.154
  140   1HB   ALA  21          1HB       ALA  21  -4.396  -6.080  -2.291
  141   2HB   ALA  21          2HB       ALA  21  -4.929  -6.355  -0.632
  142   3HB   ALA  21          3HB       ALA  21  -3.501  -7.186  -1.248
  143    H    PHE  22           H        PHE  22  -3.301  -4.217  -3.179
  144    HA   PHE  22           HA       PHE  22  -0.912  -5.130  -4.256
  145   1HB   PHE  22          2HB       PHE  22  -2.770  -4.123  -5.581
  146   2HB   PHE  22          1HB       PHE  22  -2.263  -2.527  -5.015
  147    HD1  PHE  22          1HD       PHE  22  -1.212  -1.340  -6.610
  148    HD2  PHE  22          2HD       PHE  22  -0.509  -5.520  -6.388
  149    HE1  PHE  22          1HE       PHE  22   0.420  -1.152  -8.413
  150    HE2  PHE  22          2HE       PHE  22   1.130  -5.345  -8.194
  151    HZ   PHE  22           HZ       PHE  22   1.595  -3.156  -9.230
  152    H    GLN  23           H        GLN  23  -1.449  -2.273  -2.258
  153    HA   GLN  23           HA       GLN  23   1.038  -1.049  -3.012
  154   1HB   GLN  23          2HB       GLN  23  -1.198  -0.080  -1.812
  155   2HB   GLN  23          1HB       GLN  23  -0.165  -0.302  -0.411
  156   1HG   GLN  23          2HG       GLN  23   1.432   1.219  -1.210
  157   2HG   GLN  23          1HG       GLN  23   0.763   1.194  -2.835
  158   1HE2  GLN  23          1HE2      GLN  23   1.181   3.215  -0.484
  159   2HE2  GLN  23          2HE2      GLN  23  -0.287   4.124  -0.519
  160    H    GLU  24           H        GLU  24  -0.114  -2.948  -0.270
  161    HA   GLU  24           HA       GLU  24   2.310  -2.879   1.200
  162   1HB   GLU  24          2HB       GLU  24  -0.056  -3.536   1.993
  163   2HB   GLU  24          1HB       GLU  24   0.298  -5.117   1.311
  164   1HG   GLU  24          2HG       GLU  24   2.336  -5.175   2.771
  165   2HG   GLU  24          1HG       GLU  24   1.721  -3.722   3.558
  166    H    ARG  25           H        ARG  25   1.088  -4.796  -1.413
  167    HA   ARG  25           HA       ARG  25   3.046  -6.870  -1.236
  168   1HB   ARG  25          2HB       ARG  25   0.574  -6.600  -2.391
  169   2HB   ARG  25          1HB       ARG  25   1.635  -6.466  -3.788
  170   1HG   ARG  25          2HG       ARG  25   2.593  -8.588  -3.378
  171   2HG   ARG  25          1HG       ARG  25   1.846  -8.690  -1.784
  172   1HD   ARG  25          2HD       ARG  25   0.190  -9.824  -2.742
  173   2HD   ARG  25          1HD       ARG  25  -0.284  -8.320  -3.529
  174    HE   ARG  25           HE       ARG  25   1.083 -10.574  -4.731
  175   1HH1  ARG  25          1HH1      ARG  25   0.196  -7.211  -5.032
  176   2HH1  ARG  25          2HH1      ARG  25   0.366  -7.196  -6.755
  177   1HH2  ARG  25          1HH2      ARG  25   1.304 -10.549  -6.996
  178   2HH2  ARG  25          2HH2      ARG  25   0.991  -9.086  -7.868
  179    H    TYR  26           H        TYR  26   2.411  -4.226  -3.533
  180    HA   TYR  26           HA       TYR  26   4.819  -4.666  -5.007
  181   1HB   TYR  26          2HB       TYR  26   3.890  -3.286  -6.512
  182   2HB   TYR  26          1HB       TYR  26   2.458  -3.540  -5.532
  183    HD1  TYR  26          1HD       TYR  26   1.334  -1.759  -4.664
  184    HD2  TYR  26          2HD       TYR  26   5.278  -1.131  -5.995
  185    HE1  TYR  26          1HE       TYR  26   0.953   0.624  -4.463
  186    HE2  TYR  26          2HE       TYR  26   4.954   1.286  -5.749
  187    HH   TYR  26           HH       TYR  26   2.236   2.652  -4.172
  188    H    THR  27           H        THR  27   3.798  -1.919  -2.928
  189    HA   THR  27           HA       THR  27   6.201  -0.533  -3.044
  190    HB   THR  27           HB       THR  27   4.524  -0.606  -0.552
  191    HG1  THR  27          1HG       THR  27   3.732   1.232  -2.399
  192   1HG2  THR  27          1HG2      THR  27   6.065   0.984  -0.111
  193   2HG2  THR  27          2HG2      THR  27   4.936   1.978  -1.031
  194   3HG2  THR  27          3HG2      THR  27   6.373   1.320  -1.814
  195    H    ALA  28           H        ALA  28   5.378  -3.380  -1.229
  196    HA   ALA  28           HA       ALA  28   7.542  -3.207   0.618
  197   1HB   ALA  28          1HB       ALA  28   5.878  -5.558  -0.276
  198   2HB   ALA  28          2HB       ALA  28   5.643  -4.573   1.168
  199   3HB   ALA  28          3HB       ALA  28   7.060  -5.614   1.032
  200    H    GLY  29           H        GLY  29   7.063  -5.127  -2.352
  201   1HA   GLY  29          2HA       GLY  29   9.705  -6.200  -2.329
  202   2HA   GLY  29          1HA       GLY  29   8.577  -6.248  -3.678
  203    H    ILE  30           H        ILE  30   8.207  -3.529  -4.140
  204    HA   ILE  30           HA       ILE  30  10.438  -2.955  -5.749
  205    HB   ILE  30           HB       ILE  30   8.127  -2.121  -6.164
  206   1HG1  ILE  30          2HG1      ILE  30   9.031   0.351  -6.633
  207   2HG1  ILE  30          1HG1      ILE  30  10.568  -0.419  -6.249
  208   1HG2  ILE  30          1HG2      ILE  30   8.715   0.084  -4.218
  209   2HG2  ILE  30          2HG2      ILE  30   7.850  -1.374  -3.733
  210   3HG2  ILE  30          3HG2      ILE  30   7.186  -0.332  -4.992
  211   1HD1  ILE  30          1HD1      ILE  30   8.640  -1.236  -8.409
  212   2HD1  ILE  30          2HD1      ILE  30  10.122  -2.099  -7.995
  213   3HD1  ILE  30          3HD1      ILE  30  10.206  -0.452  -8.623
  214    H    ASN  31           H        ASN  31   9.436  -1.608  -2.599
  215    HA   ASN  31           HA       ASN  31  11.399   0.363  -2.406
  216   1HB   ASN  31          2HB       ASN  31   9.435   0.067  -0.843
  217   2HB   ASN  31          1HB       ASN  31  10.341  -1.237  -0.065
  218   1HD2  ASN  31          1HD2      ASN  31   9.415   1.621   0.624
  219   2HD2  ASN  31          2HD2      ASN  31  10.813   2.315   1.364
  220    H    SER  32           H        SER  32  11.480  -3.013  -1.278
  221    HA   SER  32           HA       SER  32  14.060  -2.941  -0.207
  222   1HB   SER  32          2HB       SER  32  13.973  -5.315  -0.149
  223   2HB   SER  32          1HB       SER  32  12.301  -4.781   0.041
  224    HG   SER  32           HG       SER  32  12.296  -6.375  -1.489
  225    H    PHE  33           H        PHE  33  12.967  -3.618  -3.494
  226    HA   PHE  33           HA       PHE  33  15.388  -4.475  -4.586
  227   1HB   PHE  33          2HB       PHE  33  14.013  -4.697  -6.342
  228   2HB   PHE  33          1HB       PHE  33  12.790  -3.731  -5.535
  229    HD1  PHE  33          1HD       PHE  33  15.874  -3.365  -7.588
  230    HD2  PHE  33          2HD       PHE  33  12.094  -1.745  -6.516
  231    HE1  PHE  33          1HE       PHE  33  16.127  -1.634  -9.311
  232    HE2  PHE  33          2HE       PHE  33  12.347  -0.012  -8.225
  233    HZ   PHE  33           HZ       PHE  33  14.362   0.045  -9.631
  234    H    VAL  34           H        VAL  34  14.166  -1.239  -3.964
  235    HA   VAL  34           HA       VAL  34  16.081   0.253  -5.396
  236    HB   VAL  34           HB       VAL  34  14.835   1.204  -2.844
  237   1HG1  VAL  34          1HG1      VAL  34  15.057   3.334  -3.742
  238   2HG1  VAL  34          2HG1      VAL  34  15.225   2.726  -5.389
  239   3HG1  VAL  34          3HG1      VAL  34  16.541   2.517  -4.233
  240   1HG2  VAL  34          1HG2      VAL  34  13.025   1.997  -4.635
  241   2HG2  VAL  34          2HG2      VAL  34  12.886   0.479  -3.750
  242   3HG2  VAL  34          3HG2      VAL  34  13.519   0.485  -5.394
  243    H    SER  35           H        SER  35  15.946  -0.332  -1.908
  244    HA   SER  35           HA       SER  35  18.344   0.808  -1.206
  245   1HB   SER  35          2HB       SER  35  17.348  -1.770  -0.007
  246   2HB   SER  35          1HB       SER  35  18.306  -0.516   0.776
  247    HG   SER  35           HG       SER  35  16.525   0.859   0.664
  248    H    GLY  36           H        GLY  36  17.827  -2.543  -2.280
  249   1HA   GLY  36          2HA       GLY  36  20.453  -3.457  -2.026
  250   2HA   GLY  36          1HA       GLY  36  19.275  -4.086  -3.170
  251    H    VAL  37           H        VAL  37  18.882  -1.883  -4.802
  252    HA   VAL  37           HA       VAL  37  21.275  -1.988  -6.405
  253    HB   VAL  37           HB       VAL  37  20.037  -0.613  -8.014
  254   1HG1  VAL  37          1HG1      VAL  37  18.303  -2.828  -6.937
  255   2HG1  VAL  37          2HG1      VAL  37  19.734  -3.070  -7.932
  256   3HG1  VAL  37          3HG1      VAL  37  18.342  -2.212  -8.586
  257   1HG2  VAL  37          1HG2      VAL  37  18.826   0.773  -6.353
  258   2HG2  VAL  37          2HG2      VAL  37  17.781  -0.607  -6.010
  259   3HG2  VAL  37          3HG2      VAL  37  17.777   0.124  -7.614
  260    H    ALA  38           H        ALA  38  19.826   0.217  -4.147
  261    HA   ALA  38           HA       ALA  38  21.179   2.572  -5.000
  262   1HB   ALA  38          1HB       ALA  38  20.487   3.435  -2.759
  263   2HB   ALA  38          2HB       ALA  38  19.835   1.834  -2.412
  264   3HB   ALA  38          3HB       ALA  38  19.173   2.785  -3.739
  265    H    SER  39           H        SER  39  22.085  -0.128  -3.017
  266    HA   SER  39           HA       SER  39  24.084   1.035  -1.447
  267   1HB   SER  39          2HB       SER  39  24.463  -1.734  -2.502
  268   2HB   SER  39          1HB       SER  39  24.690  -1.115  -0.867
  269    HG   SER  39           HG       SER  39  22.489  -2.222  -2.007
  270    H    GLY  40           H        GLY  40  24.072   0.150  -4.814
  271   1HA   GLY  40          2HA       GLY  40  26.933   0.916  -4.976
  272   2HA   GLY  40          1HA       GLY  40  26.211  -0.318  -5.995
  273    H    ALA  41           H        ALA  41  23.847   0.915  -6.744
  274    HA   ALA  41           HA       ALA  41  24.033   3.558  -7.612
  275   1HB   ALA  41          1HB       ALA  41  24.566   3.268  -9.984
  276   2HB   ALA  41          2HB       ALA  41  24.950   1.573  -9.681
  277   3HB   ALA  41          3HB       ALA  41  25.923   2.844  -8.943
  278    H    GLY  42           H        GLY  42  21.905   3.264  -6.927
  279   1HA   GLY  42          2HA       GLY  42  20.113   1.513  -8.357
  280   2HA   GLY  42          1HA       GLY  42  19.678   2.638  -7.085
  281    H    SER  43           H        SER  43  21.222   4.724  -8.836
  282    HA   SER  43           HA       SER  43  18.895   5.806 -10.030
  283   1HB   SER  43          2HB       SER  43  21.809   6.531 -10.086
  284   2HB   SER  43          1HB       SER  43  20.674   7.349 -11.160
  285    HG   SER  43           HG       SER  43  21.017   7.591  -8.450
  286    H    ILE  44           H        ILE  44  21.918   5.127 -11.752
  287    HA   ILE  44           HA       ILE  44  22.342   4.200 -13.780
  288    HB   ILE  44           HB       ILE  44  19.599   2.982 -13.741
  289   1HG1  ILE  44          2HG1      ILE  44  22.125   1.888 -12.477
  290   2HG1  ILE  44          1HG1      ILE  44  20.751   2.542 -11.589
  291   1HG2  ILE  44          1HG2      ILE  44  21.058   1.133 -14.880
  292   2HG2  ILE  44          2HG2      ILE  44  22.151   2.480 -15.198
  293   3HG2  ILE  44          3HG2      ILE  44  20.497   2.524 -15.806
  294   1HD1  ILE  44          1HD1      ILE  44  21.158  -0.090 -12.271
  295   2HD1  ILE  44          2HD1      ILE  44  19.968   0.464 -13.449
  296   3HD1  ILE  44          3HD1      ILE  44  19.642   0.626 -11.723
  297    H    GLY  45           H        GLY  45  20.460   6.684 -13.359
  298   1HA   GLY  45          2HA       GLY  45  19.466   8.231 -14.727
  299   2HA   GLY  45          1HA       GLY  45  20.482   7.562 -15.991
  300    H    ARG  46           H        ARG  46  18.371   5.282 -14.576
  301    HA   ARG  46           HA       ARG  46  16.535   5.578 -16.879
  302   1HB   ARG  46          2HB       ARG  46  18.090   3.514 -16.713
  303   2HB   ARG  46          1HB       ARG  46  16.993   2.977 -15.447
  304   1HG   ARG  46          2HG       ARG  46  15.784   3.830 -18.011
  305   2HG   ARG  46          1HG       ARG  46  16.678   2.308 -17.998
  306   1HD   ARG  46          2HD       ARG  46  14.575   2.937 -15.949
  307   2HD   ARG  46          1HD       ARG  46  14.173   2.213 -17.505
  308    HE   ARG  46           HE       ARG  46  16.242   0.824 -16.066
  309   1HH1  ARG  46          1HH1      ARG  46  12.798   1.148 -16.541
  310   2HH1  ARG  46          2HH1      ARG  46  12.445  -0.455 -15.987
  311   1HH2  ARG  46          1HH2      ARG  46  15.778  -1.283 -15.338
  312   2HH2  ARG  46          2HH2      ARG  46  14.137  -1.835 -15.303
  313    H    ARG  47           H        ARG  47  14.506   6.057 -16.405
  314    HA   ARG  47           HA       ARG  47  13.198   4.939 -14.075
  315   1HB   ARG  47          2HB       ARG  47  13.688   7.896 -14.381
  316   2HB   ARG  47          1HB       ARG  47  12.373   7.262 -13.403
  317   1HG   ARG  47          2HG       ARG  47  13.867   7.346 -11.743
  318   2HG   ARG  47          1HG       ARG  47  14.462   5.837 -12.433
  319   1HD   ARG  47          2HD       ARG  47  16.367   6.774 -13.137
  320   2HD   ARG  47          1HD       ARG  47  15.548   8.226 -13.714
  321    HE   ARG  47           HE       ARG  47  16.935   7.930 -11.265
  322   1HH1  ARG  47          1HH1      ARG  47  14.099   9.432 -12.637
  323   2HH1  ARG  47          2HH1      ARG  47  14.070  10.721 -11.482
  324   1HH2  ARG  47          1HH2      ARG  47  16.898   9.625  -9.745
  325   2HH2  ARG  47          2HH2      ARG  47  15.660  10.832  -9.841
  326    HA   PRO  48           HA       PRO  48  10.312   5.189 -17.593
  327   1HB   PRO  48          2HB       PRO  48   8.739   3.134 -16.785
  328   2HB   PRO  48          1HB       PRO  48  10.264   2.886 -17.646
  329   1HG   PRO  48          2HG       PRO  48   9.696   2.713 -14.712
  330   2HG   PRO  48          1HG       PRO  48  10.670   1.634 -15.727
  331   1HD   PRO  48          2HD       PRO  48  11.768   3.535 -14.136
  332   2HD   PRO  48          1HD       PRO  48  12.500   3.033 -15.676
  Start of MODEL    4
    1    H    VAL   1           H        VAL   1 -11.494   1.219 -20.152
    2    HA   VAL   1           HA       VAL   1 -12.196  -1.060 -20.852
    3    HB   VAL   1           HB       VAL   1 -11.488  -0.813 -18.536
    4   1HG1  VAL   1          1HG1      VAL   1 -14.373   0.044 -18.042
    5   2HG1  VAL   1          2HG1      VAL   1 -13.158  -0.254 -16.775
    6   3HG1  VAL   1          3HG1      VAL   1 -12.933   1.085 -17.926
    7   1HG2  VAL   1          1HG2      VAL   1 -14.007  -2.429 -19.035
    8   2HG2  VAL   1          2HG2      VAL   1 -12.321  -2.994 -18.964
    9   3HG2  VAL   1          3HG2      VAL   1 -13.155  -2.493 -17.473
   10    H    ASN   2           H        ASN   2 -14.430  -2.149 -19.260
   11    HA   ASN   2           HA       ASN   2 -16.828  -1.005 -20.300
   12   1HB   ASN   2          2HB       ASN   2 -15.712  -2.356 -22.225
   13   2HB   ASN   2          1HB       ASN   2 -16.249  -3.766 -21.318
   14   1HD2  ASN   2          1HD2      ASN   2 -18.122  -4.549 -21.915
   15   2HD2  ASN   2          2HD2      ASN   2 -19.422  -3.662 -22.628
   16    H    TYR   3           H        TYR   3 -15.610  -1.879 -17.798
   17    HA   TYR   3           HA       TYR   3 -16.989  -4.256 -16.911
   18   1HB   TYR   3          2HB       TYR   3 -15.661  -2.237 -15.114
   19   2HB   TYR   3          1HB       TYR   3 -15.832  -3.972 -14.886
   20    HD1  TYR   3          1HD       TYR   3 -14.336  -5.535 -16.045
   21    HD2  TYR   3          2HD       TYR   3 -13.867  -1.332 -16.483
   22    HE1  TYR   3          1HE       TYR   3 -12.091  -5.887 -16.967
   23    HE2  TYR   3          2HE       TYR   3 -11.620  -1.678 -17.414
   24    HH   TYR   3           HH       TYR   3 -10.474  -4.768 -18.346
   25    H    GLY   4           H        GLY   4 -17.148  -0.781 -16.074
   26   1HA   GLY   4          2HA       GLY   4 -19.110   0.470 -15.711
   27   2HA   GLY   4          1HA       GLY   4 -20.023  -1.029 -15.631
   28    H    ASN   5           H        ASN   5 -17.209  -1.116 -13.702
   29    HA   ASN   5           HA       ASN   5 -18.329   0.127 -11.371
   30   1HB   ASN   5          2HB       ASN   5 -19.405  -2.265 -11.769
   31   2HB   ASN   5          1HB       ASN   5 -17.924  -2.796 -10.978
   32   1HD2  ASN   5          1HD2      ASN   5 -20.553  -0.442 -10.625
   33   2HD2  ASN   5          2HD2      ASN   5 -20.658  -0.563  -8.905
   34    H    GLY   6           H        GLY   6 -15.917   0.395 -12.779
   35   1HA   GLY   6          2HA       GLY   6 -13.917   0.925 -11.279
   36   2HA   GLY   6          1HA       GLY   6 -13.939  -0.803 -10.941
   37    H    VAL   7           H        VAL   7 -13.266   1.636 -13.343
   38    HA   VAL   7           HA       VAL   7 -12.369  -0.319 -15.292
   39    HB   VAL   7           HB       VAL   7 -11.759   1.682 -16.649
   40   1HG1  VAL   7          1HG1      VAL   7 -14.524   2.289 -15.887
   41   2HG1  VAL   7          2HG1      VAL   7 -14.206   0.591 -16.236
   42   3HG1  VAL   7          3HG1      VAL   7 -13.851   1.825 -17.448
   43   1HG2  VAL   7          1HG2      VAL   7 -11.496   3.062 -14.430
   44   2HG2  VAL   7          2HG2      VAL   7 -13.209   3.404 -14.684
   45   3HG2  VAL   7          3HG2      VAL   7 -12.028   3.851 -15.914
   46    H    SER   8           H        SER   8 -11.032   1.737 -12.834
   47    HA   SER   8           HA       SER   8  -8.289   1.309 -13.803
   48   1HB   SER   8          2HB       SER   8  -9.604   3.199 -11.931
   49   2HB   SER   8          1HB       SER   8  -7.944   2.739 -11.553
   50    HG   SER   8           HG       SER   8  -7.328   3.454 -13.608
   51    H    CYS   9           H        CYS   9  -8.571  -1.031 -13.362
   52    HA   CYS   9           HA       CYS   9  -7.217  -1.793 -11.040
   53   1HB   CYS   9          2HB       CYS   9 -10.135  -1.738 -10.793
   54   2HB   CYS   9          1HB       CYS   9  -9.420  -3.287 -10.380
   55    H    SER  10           H        SER  10  -6.251  -3.684 -11.409
   56    HA   SER  10           HA       SER  10  -6.829  -5.060 -13.854
   57   1HB   SER  10          2HB       SER  10  -4.725  -5.204 -11.758
   58   2HB   SER  10          1HB       SER  10  -4.990  -6.654 -12.727
   59    HG   SER  10           HG       SER  10  -3.503  -5.439 -13.817
   60    H    LYS  11           H        LYS  11  -8.997  -5.673 -13.350
   61    HA   LYS  11           HA       LYS  11 -10.656  -7.044 -12.628
   62   1HB   LYS  11          2HB       LYS  11  -8.468  -9.104 -12.556
   63   2HB   LYS  11          1HB       LYS  11 -10.179  -9.387 -12.843
   64   1HG   LYS  11          2HG       LYS  11  -8.581  -7.638 -14.687
   65   2HG   LYS  11          1HG       LYS  11  -8.560  -9.393 -14.855
   66   1HD   LYS  11          2HD       LYS  11 -11.252  -8.390 -14.559
   67   2HD   LYS  11          1HD       LYS  11 -10.422  -7.615 -15.910
   68   1HE   LYS  11          2HE       LYS  11 -10.481 -10.596 -15.495
   69   2HE   LYS  11          1HE       LYS  11 -11.676  -9.731 -16.462
   70   1HZ   LYS  11          1HZ       LYS  11  -9.966  -8.998 -17.941
   71   2HZ   LYS  11          2HZ       LYS  11  -9.829 -10.675 -17.774
   72   3HZ   LYS  11          3HZ       LYS  11  -8.750  -9.655 -16.964
   73    H    THR  12           H        THR  12  -8.882  -5.773 -10.481
   74    HA   THR  12           HA       THR  12  -9.253  -7.659  -8.327
   75    HB   THR  12           HB       THR  12  -8.052  -5.851  -6.966
   76    HG1  THR  12          1HG       THR  12  -8.447  -4.180  -8.493
   77   1HG2  THR  12          1HG2      THR  12  -5.929  -6.559  -7.587
   78   2HG2  THR  12          2HG2      THR  12  -6.385  -6.756  -9.283
   79   3HG2  THR  12          3HG2      THR  12  -6.970  -7.894  -8.080
   80    H    LYS  13           H        LYS  13 -10.759  -4.818  -9.521
   81    HA   LYS  13           HA       LYS  13 -12.780  -3.884  -8.981
   82   1HB   LYS  13          2HB       LYS  13 -12.869  -5.469  -6.424
   83   2HB   LYS  13          1HB       LYS  13 -14.202  -4.724  -7.289
   84   1HG   LYS  13          2HG       LYS  13 -13.201  -6.465  -9.149
   85   2HG   LYS  13          1HG       LYS  13 -12.970  -7.341  -7.635
   86   1HD   LYS  13          2HD       LYS  13 -15.219  -7.505  -7.227
   87   2HD   LYS  13          1HD       LYS  13 -15.592  -6.005  -8.082
   88   1HE   LYS  13          2HE       LYS  13 -16.356  -7.362  -9.699
   89   2HE   LYS  13          1HE       LYS  13 -14.651  -7.565 -10.103
   90   1HZ   LYS  13          1HZ       LYS  13 -14.648  -9.500  -8.554
   91   2HZ   LYS  13          2HZ       LYS  13 -15.608  -9.710  -9.932
   92   3HZ   LYS  13          3HZ       LYS  13 -16.331  -9.358  -8.444
   93    H    CYS  14           H        CYS  14  -9.953  -3.729  -7.219
   94    HA   CYS  14           HA       CYS  14  -9.019  -2.043  -5.986
   95   1HB   CYS  14          2HB       CYS  14 -11.607  -0.557  -6.257
   96   2HB   CYS  14          1HB       CYS  14  -9.999   0.130  -6.019
   97    H    SER  15           H        SER  15 -12.463  -1.719  -5.113
   98    HA   SER  15           HA       SER  15 -12.039  -1.408  -2.375
   99   1HB   SER  15          2HB       SER  15 -14.526  -2.678  -3.508
  100   2HB   SER  15          1HB       SER  15 -14.377  -1.618  -2.107
  101    HG   SER  15           HG       SER  15 -14.517  -0.991  -4.802
  102    H    VAL  16           H        VAL  16 -13.616  -3.212  -1.044
  103    HA   VAL  16           HA       VAL  16 -13.760  -5.322  -0.190
  104    HB   VAL  16           HB       VAL  16 -11.836  -6.315  -2.301
  105   1HG1  VAL  16          1HG1      VAL  16 -13.976  -7.882  -0.920
  106   2HG1  VAL  16          2HG1      VAL  16 -12.391  -7.652  -0.181
  107   3HG1  VAL  16          3HG1      VAL  16 -12.526  -8.454  -1.743
  108   1HG2  VAL  16          1HG2      VAL  16 -13.730  -6.926  -3.650
  109   2HG2  VAL  16          2HG2      VAL  16 -13.812  -5.195  -3.322
  110   3HG2  VAL  16          3HG2      VAL  16 -14.848  -6.311  -2.433
  111    H    ASN  17           H        ASN  17 -10.432  -5.205  -1.443
  112    HA   ASN  17           HA       ASN  17  -9.133  -4.373   0.840
  113   1HB   ASN  17          2HB       ASN  17  -8.250  -6.668   1.628
  114   2HB   ASN  17          1HB       ASN  17  -9.864  -6.193   2.145
  115   1HD2  ASN  17          1HD2      ASN  17 -11.015  -7.981   2.257
  116   2HD2  ASN  17          2HD2      ASN  17 -11.127  -9.193   1.031
  117    H    TRP  18           H        TRP  18  -9.108  -6.541  -1.907
  118    HA   TRP  18           HA       TRP  18  -6.551  -7.236  -2.326
  119   1HB   TRP  18          2HB       TRP  18  -8.772  -7.188  -3.905
  120   2HB   TRP  18          1HB       TRP  18  -7.755  -6.017  -4.742
  121    HD1  TRP  18           HD       TRP  18  -4.985  -7.218  -4.745
  122    HE1  TRP  18          1HE       TRP  18  -4.434  -9.485  -5.809
  123    HE3  TRP  18          3HE       TRP  18  -9.653  -9.263  -4.784
  124    HZ2  TRP  18          2HZ       TRP  18  -5.793 -11.823  -6.576
  125    HZ3  TRP  18          3HZ       TRP  18  -9.946 -11.519  -5.702
  126    HH2  TRP  18           HH       TRP  18  -8.053 -12.776  -6.580
  127    H    GLY  19           H        GLY  19  -7.790  -3.939  -2.640
  128   1HA   GLY  19          2HA       GLY  19  -5.534  -2.836  -3.967
  129   2HA   GLY  19          1HA       GLY  19  -6.730  -1.936  -3.049
  130    H    GLN  20           H        GLN  20  -6.370  -3.008  -0.516
  131    HA   GLN  20           HA       GLN  20  -4.203  -1.492   0.423
  132   1HB   GLN  20          2HB       GLN  20  -6.261  -2.106   1.718
  133   2HB   GLN  20          1HB       GLN  20  -5.611  -3.732   1.888
  134   1HG   GLN  20          2HG       GLN  20  -3.570  -2.594   2.940
  135   2HG   GLN  20          1HG       GLN  20  -4.608  -1.175   3.076
  136   1HE2  GLN  20          1HE2      GLN  20  -4.950  -4.670   3.615
  137   2HE2  GLN  20          2HE2      GLN  20  -5.663  -4.533   5.182
  138    H    ALA  21           H        ALA  21  -4.535  -4.937  -0.234
  139    HA   ALA  21           HA       ALA  21  -2.065  -5.739   0.915
  140   1HB   ALA  21          1HB       ALA  21  -4.164  -7.125   0.174
  141   2HB   ALA  21          2HB       ALA  21  -2.553  -7.839   0.142
  142   3HB   ALA  21          3HB       ALA  21  -3.283  -7.245  -1.349
  143    H    PHE  22           H        PHE  22  -2.982  -5.112  -2.483
  144    HA   PHE  22           HA       PHE  22  -0.572  -5.733  -3.636
  145   1HB   PHE  22          2HB       PHE  22  -2.646  -5.092  -4.916
  146   2HB   PHE  22          1HB       PHE  22  -2.274  -3.407  -4.559
  147    HD1  PHE  22          1HD       PHE  22  -0.125  -6.248  -5.624
  148    HD2  PHE  22          2HD       PHE  22  -1.607  -2.394  -6.485
  149    HE1  PHE  22          1HE       PHE  22   1.382  -6.090  -7.528
  150    HE2  PHE  22          2HE       PHE  22  -0.122  -2.240  -8.392
  151    HZ   PHE  22           HZ       PHE  22   1.386  -4.082  -8.934
  152    H    GLN  23           H        GLN  23  -1.496  -2.584  -2.192
  153    HA   GLN  23           HA       GLN  23   0.799  -1.229  -3.095
  154   1HB   GLN  23          2HB       GLN  23  -1.356  -0.213  -2.116
  155   2HB   GLN  23          1HB       GLN  23  -0.663  -0.544  -0.538
  156   1HG   GLN  23          2HG       GLN  23   1.264   0.835  -2.129
  157   2HG   GLN  23          1HG       GLN  23  -0.268   1.702  -2.189
  158   1HE2  GLN  23          1HE2      GLN  23   2.285   2.415  -0.917
  159   2HE2  GLN  23          2HE2      GLN  23   1.918   2.694   0.749
  160    H    GLU  24           H        GLU  24   0.144  -2.971  -0.088
  161    HA   GLU  24           HA       GLU  24   2.637  -2.342   1.136
  162   1HB   GLU  24          2HB       GLU  24   0.397  -3.265   2.164
  163   2HB   GLU  24          1HB       GLU  24   1.105  -4.831   1.791
  164   1HG   GLU  24          2HG       GLU  24   2.417  -2.720   3.483
  165   2HG   GLU  24          1HG       GLU  24   1.507  -4.093   4.108
  166    H    ARG  25           H        ARG  25   1.512  -4.788  -1.050
  167    HA   ARG  25           HA       ARG  25   3.779  -6.518  -0.753
  168   1HB   ARG  25          2HB       ARG  25   1.203  -6.757  -1.746
  169   2HB   ARG  25          1HB       ARG  25   2.193  -6.807  -3.200
  170   1HG   ARG  25          2HG       ARG  25   3.597  -8.547  -1.901
  171   2HG   ARG  25          1HG       ARG  25   2.180  -8.670  -0.860
  172   1HD   ARG  25          2HD       ARG  25   0.872  -9.584  -2.520
  173   2HD   ARG  25          1HD       ARG  25   1.823  -8.861  -3.816
  174    HE   ARG  25           HE       ARG  25   3.492 -10.670  -2.576
  175   1HH1  ARG  25          1HH1      ARG  25   0.422 -10.790  -4.229
  176   2HH1  ARG  25          2HH1      ARG  25   0.656 -12.404  -4.811
  177   1HH2  ARG  25          1HH2      ARG  25   3.800 -12.798  -3.343
  178   2HH2  ARG  25          2HH2      ARG  25   2.570 -13.545  -4.308
  179    H    TYR  26           H        TYR  26   2.559  -4.440  -3.367
  180    HA   TYR  26           HA       TYR  26   4.854  -4.780  -5.025
  181   1HB   TYR  26          2HB       TYR  26   3.592  -3.755  -6.551
  182   2HB   TYR  26          1HB       TYR  26   2.339  -4.024  -5.363
  183    HD1  TYR  26          1HD       TYR  26   0.957  -2.215  -4.811
  184    HD2  TYR  26          2HD       TYR  26   4.801  -1.381  -6.310
  185    HE1  TYR  26          1HE       TYR  26   0.320   0.073  -4.964
  186    HE2  TYR  26          2HE       TYR  26   4.202   0.991  -6.371
  187    HH   TYR  26           HH       TYR  26   2.004   2.326  -6.629
  188    H    THR  27           H        THR  27   3.703  -1.893  -3.225
  189    HA   THR  27           HA       THR  27   5.904  -0.294  -3.805
  190    HB   THR  27           HB       THR  27   4.516  -0.153  -1.146
  191    HG1  THR  27          1HG       THR  27   3.415   1.031  -3.436
  192   1HG2  THR  27          1HG2      THR  27   4.526   2.332  -1.943
  193   2HG2  THR  27          2HG2      THR  27   5.838   1.772  -2.985
  194   3HG2  THR  27          3HG2      THR  27   5.969   1.606  -1.233
  195    H    ALA  28           H        ALA  28   5.538  -2.821  -1.422
  196    HA   ALA  28           HA       ALA  28   7.912  -2.160   0.014
  197   1HB   ALA  28          1HB       ALA  28   7.670  -4.382   1.040
  198   2HB   ALA  28          2HB       ALA  28   6.397  -4.771  -0.117
  199   3HB   ALA  28          3HB       ALA  28   6.153  -3.485   1.064
  200    H    GLY  29           H        GLY  29   7.167  -4.128  -2.787
  201   1HA   GLY  29          2HA       GLY  29   9.796  -5.353  -2.871
  202   2HA   GLY  29          1HA       GLY  29   8.521  -5.520  -4.067
  203    H    ILE  30           H        ILE  30   8.072  -2.831  -4.699
  204    HA   ILE  30           HA       ILE  30  10.164  -2.403  -6.572
  205    HB   ILE  30           HB       ILE  30   7.828  -1.739  -6.999
  206   1HG1  ILE  30          2HG1      ILE  30   8.433   0.696  -7.751
  207   2HG1  ILE  30          1HG1      ILE  30  10.047   0.267  -7.194
  208   1HG2  ILE  30          1HG2      ILE  30   8.101   0.746  -5.418
  209   2HG2  ILE  30          2HG2      ILE  30   7.741  -0.737  -4.534
  210   3HG2  ILE  30          3HG2      ILE  30   6.666  -0.194  -5.822
  211   1HD1  ILE  30          1HD1      ILE  30  10.193  -1.512  -8.769
  212   2HD1  ILE  30          2HD1      ILE  30   9.651  -0.070  -9.627
  213   3HD1  ILE  30          3HD1      ILE  30   8.495  -1.334  -9.209
  214    H    ASN  31           H        ASN  31   9.372  -0.982  -3.444
  215    HA   ASN  31           HA       ASN  31  11.389   1.061  -3.634
  216   1HB   ASN  31          2HB       ASN  31   9.205   1.008  -2.164
  217   2HB   ASN  31          1HB       ASN  31  10.238   0.155  -1.014
  218   1HD2  ASN  31          1HD2      ASN  31   9.011   2.689  -0.640
  219   2HD2  ASN  31          2HD2      ASN  31  10.273   3.854  -0.442
  220    H    SER  32           H        SER  32  11.089  -2.143  -2.201
  221    HA   SER  32           HA       SER  32  13.542  -2.095  -0.793
  222   1HB   SER  32          2HB       SER  32  11.803  -3.729  -0.236
  223   2HB   SER  32          1HB       SER  32  11.956  -4.466  -1.836
  224    HG   SER  32           HG       SER  32  13.197  -5.695  -0.542
  225    H    PHE  33           H        PHE  33  12.703  -2.814  -4.099
  226    HA   PHE  33           HA       PHE  33  15.008  -4.220  -4.867
  227   1HB   PHE  33          2HB       PHE  33  13.703  -4.314  -6.694
  228   2HB   PHE  33          1HB       PHE  33  12.754  -2.942  -6.152
  229    HD1  PHE  33          1HD       PHE  33  16.029  -3.687  -7.783
  230    HD2  PHE  33          2HD       PHE  33  12.731  -1.042  -7.442
  231    HE1  PHE  33          1HE       PHE  33  16.909  -2.337  -9.640
  232    HE2  PHE  33          2HE       PHE  33  13.608   0.313  -9.275
  233    HZ   PHE  33           HZ       PHE  33  15.698  -0.329 -10.386
  234    H    VAL  34           H        VAL  34  14.298  -0.776  -4.644
  235    HA   VAL  34           HA       VAL  34  16.737   0.169  -5.768
  236    HB   VAL  34           HB       VAL  34  15.181   1.675  -3.692
  237   1HG1  VAL  34          1HG1      VAL  34  16.767   2.453  -6.129
  238   2HG1  VAL  34          2HG1      VAL  34  17.178   2.738  -4.437
  239   3HG1  VAL  34          3HG1      VAL  34  15.811   3.580  -5.165
  240   1HG2  VAL  34          1HG2      VAL  34  13.344   1.178  -4.947
  241   2HG2  VAL  34          2HG2      VAL  34  14.283   0.843  -6.394
  242   3HG2  VAL  34          3HG2      VAL  34  13.969   2.508  -5.923
  243    H    SER  35           H        SER  35  15.723   0.178  -2.368
  244    HA   SER  35           HA       SER  35  18.198   0.853  -1.311
  245   1HB   SER  35          2HB       SER  35  16.387  -1.036   0.152
  246   2HB   SER  35          1HB       SER  35  17.345   0.300   0.787
  247    HG   SER  35           HG       SER  35  15.198   0.924   0.735
  248    H    GLY  36           H        GLY  36  16.927  -2.271  -2.293
  249   1HA   GLY  36          2HA       GLY  36  18.923  -3.897  -1.121
  250   2HA   GLY  36          1HA       GLY  36  17.936  -4.328  -2.513
  251    H    VAL  37           H        VAL  37  18.661  -2.412  -4.336
  252    HA   VAL  37           HA       VAL  37  21.222  -3.401  -5.197
  253    HB   VAL  37           HB       VAL  37  20.909  -2.007  -7.173
  254   1HG1  VAL  37          1HG1      VAL  37  19.493  -3.476  -8.062
  255   2HG1  VAL  37          2HG1      VAL  37  18.164  -2.938  -7.038
  256   3HG1  VAL  37          3HG1      VAL  37  19.313  -4.135  -6.436
  257   1HG2  VAL  37          1HG2      VAL  37  19.103  -0.488  -7.461
  258   2HG2  VAL  37          2HG2      VAL  37  19.886  -0.078  -5.936
  259   3HG2  VAL  37          3HG2      VAL  37  18.367  -0.973  -5.935
  260    H    ALA  38           H        ALA  38  19.979  -0.576  -3.595
  261    HA   ALA  38           HA       ALA  38  22.311   1.049  -4.062
  262   1HB   ALA  38          1HB       ALA  38  20.125   1.477  -2.037
  263   2HB   ALA  38          2HB       ALA  38  20.005   1.947  -3.731
  264   3HB   ALA  38          3HB       ALA  38  21.229   2.683  -2.698
  265    H    SER  39           H        SER  39  21.346  -1.322  -1.750
  266    HA   SER  39           HA       SER  39  23.177  -0.466   0.309
  267   1HB   SER  39          2HB       SER  39  21.266  -1.602   1.117
  268   2HB   SER  39          1HB       SER  39  21.453  -2.916  -0.044
  269    HG   SER  39           HG       SER  39  22.266  -3.734   1.792
  270    H    GLY  40           H        GLY  40  23.100  -3.052  -2.125
  271   1HA   GLY  40          2HA       GLY  40  25.919  -3.063  -2.418
  272   2HA   GLY  40          1HA       GLY  40  25.421  -4.405  -1.396
  273    H    ALA  41           H        ALA  41  23.016  -5.089  -2.620
  274    HA   ALA  41           HA       ALA  41  22.048  -6.053  -4.453
  275   1HB   ALA  41          1HB       ALA  41  22.743  -5.651  -6.608
  276   2HB   ALA  41          2HB       ALA  41  24.449  -5.593  -6.165
  277   3HB   ALA  41          3HB       ALA  41  23.383  -4.250  -5.750
  278    H    GLY  42           H        GLY  42  24.954  -6.952  -3.021
  279   1HA   GLY  42          2HA       GLY  42  25.702  -9.100  -2.554
  280   2HA   GLY  42          1HA       GLY  42  24.438  -9.729  -3.597
  281    H    SER  43           H        SER  43  26.720  -7.333  -4.720
  282    HA   SER  43           HA       SER  43  27.827  -9.346  -6.562
  283   1HB   SER  43          2HB       SER  43  27.936  -6.329  -6.792
  284   2HB   SER  43          1HB       SER  43  28.423  -7.499  -8.017
  285    HG   SER  43           HG       SER  43  26.424  -7.632  -8.620
  286    H    ILE  44           H        ILE  44  28.989  -6.339  -5.045
  287    HA   ILE  44           HA       ILE  44  31.265  -7.697  -3.891
  288    HB   ILE  44           HB       ILE  44  32.027  -7.285  -6.204
  289   1HG1  ILE  44          2HG1      ILE  44  33.651  -5.315  -4.735
  290   2HG1  ILE  44          1HG1      ILE  44  33.388  -6.831  -3.880
  291   1HG2  ILE  44          1HG2      ILE  44  32.064  -5.237  -7.230
  292   2HG2  ILE  44          2HG2      ILE  44  32.067  -4.349  -5.706
  293   3HG2  ILE  44          3HG2      ILE  44  30.581  -5.104  -6.284
  294   1HD1  ILE  44          1HD1      ILE  44  35.177  -7.532  -5.010
  295   2HD1  ILE  44          2HD1      ILE  44  35.043  -6.247  -6.209
  296   3HD1  ILE  44          3HD1      ILE  44  34.065  -7.705  -6.367
  297    H    GLY  45           H        GLY  45  29.008  -6.213  -2.927
  298   1HA   GLY  45          2HA       GLY  45  30.332  -3.815  -1.777
  299   2HA   GLY  45          1HA       GLY  45  28.596  -3.979  -2.016
  300    H    ARG  46           H        ARG  46  30.524  -6.626  -0.815
  301    HA   ARG  46           HA       ARG  46  30.251  -6.109   1.932
  302   1HB   ARG  46          2HB       ARG  46  27.822  -6.624   1.024
  303   2HB   ARG  46          1HB       ARG  46  28.364  -8.287   1.177
  304   1HG   ARG  46          2HG       ARG  46  27.813  -8.217   3.313
  305   2HG   ARG  46          1HG       ARG  46  29.085  -7.021   3.569
  306   1HD   ARG  46          2HD       ARG  46  26.497  -6.062   2.472
  307   2HD   ARG  46          1HD       ARG  46  26.534  -6.546   4.167
  308    HE   ARG  46           HE       ARG  46  28.674  -4.906   3.942
  309   1HH1  ARG  46          1HH1      ARG  46  25.304  -4.569   3.105
  310   2HH1  ARG  46          2HH1      ARG  46  25.284  -2.857   3.360
  311   1HH2  ARG  46          1HH2      ARG  46  28.650  -2.654   4.276
  312   2HH2  ARG  46          2HH2      ARG  46  27.182  -1.768   4.024
  313    H    ARG  47           H        ARG  47  32.255  -7.045   0.219
  314    HA   ARG  47           HA       ARG  47  33.754  -8.723  -0.154
  315   1HB   ARG  47          2HB       ARG  47  34.486  -9.845   1.987
  316   2HB   ARG  47          1HB       ARG  47  34.494  -8.089   2.008
  317   1HG   ARG  47          2HG       ARG  47  32.457  -8.041   3.282
  318   2HG   ARG  47          1HG       ARG  47  32.278  -9.789   3.138
  319   1HD   ARG  47          2HD       ARG  47  34.547  -9.923   4.313
  320   2HD   ARG  47          1HD       ARG  47  34.301  -8.223   4.706
  321    HE   ARG  47           HE       ARG  47  32.700  -8.828   6.238
  322   1HH1  ARG  47          1HH1      ARG  47  33.493 -11.581   4.248
  323   2HH1  ARG  47          2HH1      ARG  47  32.624 -12.705   5.236
  324   1HH2  ARG  47          1HH2      ARG  47  31.552 -10.308   7.542
  325   2HH2  ARG  47          2HH2      ARG  47  31.522 -11.983   7.105
  326    HA   PRO  48           HA       PRO  48  30.835 -12.228  -0.688
  327   1HB   PRO  48          2HB       PRO  48  31.506 -12.800  -3.234
  328   2HB   PRO  48          1HB       PRO  48  30.365 -11.509  -2.836
  329   1HG   PRO  48          2HG       PRO  48  33.276 -11.324  -3.516
  330   2HG   PRO  48          1HG       PRO  48  31.932 -10.308  -4.069
  331   1HD   PRO  48          2HD       PRO  48  33.634  -9.576  -2.066
  332   2HD   PRO  48          1HD       PRO  48  31.944  -9.037  -2.152
  Start of MODEL    5
    1    H    VAL   1           H        VAL   1  -9.942 -12.383  10.434
    2    HA   VAL   1           HA       VAL   1 -10.195  -9.946  10.846
    3    HB   VAL   1           HB       VAL   1 -11.580 -11.789  12.832
    4   1HG1  VAL   1          1HG1      VAL   1 -12.967 -10.041  13.457
    5   2HG1  VAL   1          2HG1      VAL   1 -11.453  -9.141  13.198
    6   3HG1  VAL   1          3HG1      VAL   1 -12.709  -9.152  11.937
    7   1HG2  VAL   1          1HG2      VAL   1 -13.054 -12.251  11.156
    8   2HG2  VAL   1          2HG2      VAL   1 -13.019 -10.582  10.538
    9   3HG2  VAL   1          3HG2      VAL   1 -11.734 -11.727  10.084
   10    H    ASN   2           H        ASN   2 -10.642 -10.862  14.144
   11    HA   ASN   2           HA       ASN   2  -9.648 -10.265  16.082
   12   1HB   ASN   2          2HB       ASN   2  -7.507 -10.943  14.524
   13   2HB   ASN   2          1HB       ASN   2  -7.106  -9.289  14.984
   14   1HD2  ASN   2          1HD2      ASN   2  -6.571  -8.830  17.066
   15   2HD2  ASN   2          2HD2      ASN   2  -6.348 -10.034  18.284
   16    H    TYR   3           H        TYR   3  -8.162  -7.989  13.783
   17    HA   TYR   3           HA       TYR   3  -8.770  -5.790  15.554
   18   1HB   TYR   3          2HB       TYR   3  -7.591  -4.399  13.940
   19   2HB   TYR   3          1HB       TYR   3  -6.663  -5.859  14.251
   20    HD1  TYR   3          1HD       TYR   3  -6.042  -7.290  12.485
   21    HD2  TYR   3          2HD       TYR   3  -8.935  -4.251  11.804
   22    HE1  TYR   3          1HE       TYR   3  -5.943  -7.742  10.070
   23    HE2  TYR   3          2HE       TYR   3  -8.847  -4.695   9.392
   24    HH   TYR   3           HH       TYR   3  -8.229  -6.542   7.880
   25    H    GLY   4           H        GLY   4  -9.565  -3.711  14.209
   26   1HA   GLY   4          2HA       GLY   4 -11.205  -3.007  12.510
   27   2HA   GLY   4          1HA       GLY   4 -12.072  -4.506  12.841
   28    H    ASN   5           H        ASN   5 -10.792  -1.718  14.659
   29    HA   ASN   5           HA       ASN   5 -13.384  -1.097  15.708
   30   1HB   ASN   5          2HB       ASN   5 -11.770  -2.955  17.141
   31   2HB   ASN   5          1HB       ASN   5 -11.808  -1.456  18.063
   32   1HD2  ASN   5          1HD2      ASN   5 -13.239  -1.670  19.606
   33   2HD2  ASN   5          2HD2      ASN   5 -14.835  -2.308  19.436
   34    H    GLY   6           H        GLY   6  -9.871  -0.650  16.049
   35   1HA   GLY   6          2HA       GLY   6 -10.183   2.214  15.822
   36   2HA   GLY   6          1HA       GLY   6  -9.681   1.687  17.424
   37    H    VAL   7           H        VAL   7  -8.805   0.777  14.081
   38    HA   VAL   7           HA       VAL   7  -6.007   0.657  14.862
   39    HB   VAL   7           HB       VAL   7  -5.646  -0.136  12.517
   40   1HG1  VAL   7          1HG1      VAL   7  -7.488  -1.533  14.417
   41   2HG1  VAL   7          2HG1      VAL   7  -5.792  -1.859  14.059
   42   3HG1  VAL   7          3HG1      VAL   7  -7.039  -2.289  12.889
   43   1HG2  VAL   7          1HG2      VAL   7  -8.563  -0.557  12.198
   44   2HG2  VAL   7          2HG2      VAL   7  -7.311  -0.317  10.980
   45   3HG2  VAL   7          3HG2      VAL   7  -7.937   1.061  11.885
   46    H    SER   8           H        SER   8  -7.536   3.269  14.565
   47    HA   SER   8           HA       SER   8  -7.117   5.388  13.835
   48   1HB   SER   8          2HB       SER   8  -4.430   4.385  12.902
   49   2HB   SER   8          1HB       SER   8  -4.857   6.016  13.419
   50    HG   SER   8           HG       SER   8  -5.310   4.994  15.524
   51    H    CYS   9           H        CYS   9  -8.592   5.521  12.163
   52    HA   CYS   9           HA       CYS   9  -8.103   4.385   9.594
   53   1HB   CYS   9          2HB       CYS   9 -10.272   5.774  10.896
   54   2HB   CYS   9          1HB       CYS   9  -9.988   6.467   9.302
   55    H    SER  10           H        SER  10  -7.258   5.264   7.782
   56    HA   SER  10           HA       SER  10  -5.826   7.786   8.119
   57   1HB   SER  10          2HB       SER  10  -5.529   6.143   5.652
   58   2HB   SER  10          1HB       SER  10  -4.310   7.031   6.564
   59    HG   SER  10           HG       SER  10  -4.695   5.344   8.232
   60    H    LYS  11           H        LYS  11  -8.808   7.378   7.446
   61    HA   LYS  11           HA       LYS  11  -8.978   9.591   5.645
   62   1HB   LYS  11          2HB       LYS  11  -8.804   7.181   4.364
   63   2HB   LYS  11          1HB       LYS  11 -10.543   7.371   4.522
   64   1HG   LYS  11          2HG       LYS  11  -9.788   9.836   3.640
   65   2HG   LYS  11          1HG       LYS  11  -8.635   8.782   2.819
   66   1HD   LYS  11          2HD       LYS  11 -11.626   8.404   2.796
   67   2HD   LYS  11          1HD       LYS  11 -10.702   9.183   1.508
   68   1HE   LYS  11          2HE       LYS  11  -9.316   6.975   1.553
   69   2HE   LYS  11          1HE       LYS  11 -10.742   6.315   2.352
   70   1HZ   LYS  11          1HZ       LYS  11 -11.266   5.913   0.189
   71   2HZ   LYS  11          2HZ       LYS  11 -10.418   7.253  -0.401
   72   3HZ   LYS  11          3HZ       LYS  11 -11.929   7.464   0.330
   73    H    THR  12           H        THR  12 -11.405   9.926   5.027
   74    HA   THR  12           HA       THR  12 -12.864   9.788   7.530
   75    HB   THR  12           HB       THR  12 -14.473  11.304   6.367
   76    HG1  THR  12          1HG       THR  12 -14.305  11.594   4.308
   77   1HG2  THR  12          1HG2      THR  12 -11.715  11.937   6.989
   78   2HG2  THR  12          2HG2      THR  12 -13.191  12.841   7.326
   79   3HG2  THR  12          3HG2      THR  12 -12.395  13.006   5.762
   80    H    LYS  13           H        LYS  13 -12.537   7.362   5.800
   81    HA   LYS  13           HA       LYS  13 -15.260   6.474   5.974
   82   1HB   LYS  13          2HB       LYS  13 -14.689   7.593   3.589
   83   2HB   LYS  13          1HB       LYS  13 -14.154   5.951   3.282
   84   1HG   LYS  13          2HG       LYS  13 -16.400   5.138   3.923
   85   2HG   LYS  13          1HG       LYS  13 -16.915   6.813   4.140
   86   1HD   LYS  13          2HD       LYS  13 -15.908   6.971   1.655
   87   2HD   LYS  13          1HD       LYS  13 -16.408   5.281   1.658
   88   1HE   LYS  13          2HE       LYS  13 -18.661   6.113   2.505
   89   2HE   LYS  13          1HE       LYS  13 -18.103   7.730   2.076
   90   1HZ   LYS  13          1HZ       LYS  13 -18.035   7.189  -0.176
   91   2HZ   LYS  13          2HZ       LYS  13 -19.456   6.446   0.362
   92   3HZ   LYS  13          3HZ       LYS  13 -18.063   5.520   0.111
   93    H    CYS  14           H        CYS  14 -12.383   5.447   4.112
   94    HA   CYS  14           HA       CYS  14 -11.023   3.626   4.346
   95   1HB   CYS  14          2HB       CYS  14 -12.517   3.132   6.923
   96   2HB   CYS  14          1HB       CYS  14 -11.018   2.338   6.442
   97    H    SER  15           H        SER  15 -12.598   3.217   2.516
   98    HA   SER  15           HA       SER  15 -14.104   0.742   3.045
   99   1HB   SER  15          2HB       SER  15 -14.702   2.999   1.132
  100   2HB   SER  15          1HB       SER  15 -15.509   1.436   1.088
  101    HG   SER  15           HG       SER  15 -16.335   1.825   3.124
  102    H    VAL  16           H        VAL  16 -11.401   1.938   1.606
  103    HA   VAL  16           HA       VAL  16 -11.493   0.505  -0.843
  104    HB   VAL  16           HB       VAL  16  -9.060   1.628   0.547
  105   1HG1  VAL  16          1HG1      VAL  16  -7.850   1.239  -1.335
  106   2HG1  VAL  16          2HG1      VAL  16  -9.248   1.377  -2.401
  107   3HG1  VAL  16          3HG1      VAL  16  -8.990  -0.098  -1.468
  108   1HG2  VAL  16          1HG2      VAL  16 -10.190   3.565   0.223
  109   2HG2  VAL  16          2HG2      VAL  16 -11.202   2.894  -1.056
  110   3HG2  VAL  16          3HG2      VAL  16  -9.546   3.386  -1.407
  111    H    ASN  17           H        ASN  17  -9.675   0.049   2.165
  112    HA   ASN  17           HA       ASN  17  -8.842  -1.790   3.183
  113   1HB   ASN  17          2HB       ASN  17 -10.702  -3.408   1.439
  114   2HB   ASN  17          1HB       ASN  17 -10.023  -3.867   2.997
  115   1HD2  ASN  17          1HD2      ASN  17 -12.337  -4.268   3.413
  116   2HD2  ASN  17          2HD2      ASN  17 -13.292  -2.958   4.011
  117    H    TRP  18           H        TRP  18  -9.391  -2.914  -0.175
  118    HA   TRP  18           HA       TRP  18  -7.040  -4.482  -0.169
  119   1HB   TRP  18          2HB       TRP  18  -7.499  -4.969  -2.450
  120   2HB   TRP  18          1HB       TRP  18  -9.057  -4.825  -1.649
  121    HD1  TRP  18           HD       TRP  18  -6.734  -2.712  -3.913
  122    HE1  TRP  18          1HE       TRP  18  -8.218  -1.174  -5.346
  123    HE3  TRP  18          3HE       TRP  18 -11.290  -3.889  -1.936
  124    HZ2  TRP  18          2HZ       TRP  18 -10.950  -0.548  -5.605
  125    HZ3  TRP  18          3HZ       TRP  18 -13.288  -2.775  -2.832
  126    HH2  TRP  18           HH       TRP  18 -13.119  -1.140  -4.628
  127    H    GLY  19           H        GLY  19  -7.460  -1.124  -0.556
  128   1HA   GLY  19          2HA       GLY  19  -5.521  -0.382  -2.383
  129   2HA   GLY  19          1HA       GLY  19  -5.935   0.543  -0.952
  130    H    GLN  20           H        GLN  20  -4.997  -0.738   1.134
  131    HA   GLN  20           HA       GLN  20  -2.207  -0.376   0.985
  132   1HB   GLN  20          2HB       GLN  20  -2.137  -1.208   3.275
  133   2HB   GLN  20          1HB       GLN  20  -3.465  -0.075   3.064
  134   1HG   GLN  20          2HG       GLN  20  -5.056  -1.865   2.993
  135   2HG   GLN  20          1HG       GLN  20  -3.765  -3.068   3.015
  136   1HE2  GLN  20          1HE2      GLN  20  -4.749  -3.978   4.876
  137   2HE2  GLN  20          2HE2      GLN  20  -4.538  -3.256   6.432
  138    H    ALA  21           H        ALA  21  -4.199  -3.182   0.475
  139    HA   ALA  21           HA       ALA  21  -2.316  -5.208   0.942
  140   1HB   ALA  21          1HB       ALA  21  -4.693  -5.670   0.621
  141   2HB   ALA  21          2HB       ALA  21  -3.713  -6.602  -0.510
  142   3HB   ALA  21          3HB       ALA  21  -4.573  -5.168  -1.064
  143    H    PHE  22           H        PHE  22  -3.322  -4.094  -2.296
  144    HA   PHE  22           HA       PHE  22  -1.185  -5.257  -3.643
  145   1HB   PHE  22          2HB       PHE  22  -3.213  -4.232  -4.753
  146   2HB   PHE  22          1HB       PHE  22  -2.482  -2.648  -4.489
  147    HD1  PHE  22          1HD       PHE  22  -1.127  -5.920  -5.662
  148    HD2  PHE  22          2HD       PHE  22  -1.710  -1.790  -6.419
  149    HE1  PHE  22          1HE       PHE  22   0.240  -6.099  -7.681
  150    HE2  PHE  22          2HE       PHE  22  -0.361  -1.963  -8.443
  151    HZ   PHE  22           HZ       PHE  22   0.619  -4.118  -9.094
  152    H    GLN  23           H        GLN  23  -1.359  -2.075  -2.071
  153    HA   GLN  23           HA       GLN  23   1.068  -1.127  -3.238
  154   1HB   GLN  23          2HB       GLN  23  -0.640  -0.196  -0.946
  155   2HB   GLN  23          1HB       GLN  23   0.933   0.526  -1.239
  156   1HG   GLN  23          2HG       GLN  23   0.272   1.531  -3.183
  157   2HG   GLN  23          1HG       GLN  23  -1.016   0.360  -3.479
  158   1HE2  GLN  23          1HE2      GLN  23  -1.035   3.320  -3.403
  159   2HE2  GLN  23          2HE2      GLN  23  -2.250   3.743  -2.251
  160    H    GLU  24           H        GLU  24   0.248  -2.836  -0.294
  161    HA   GLU  24           HA       GLU  24   2.825  -2.534   0.929
  162   1HB   GLU  24          2HB       GLU  24   0.712  -2.937   2.202
  163   2HB   GLU  24          1HB       GLU  24   0.650  -4.555   1.518
  164   1HG   GLU  24          2HG       GLU  24   2.679  -5.167   2.638
  165   2HG   GLU  24          1HG       GLU  24   2.906  -3.516   3.216
  166    H    ARG  25           H        ARG  25   1.272  -4.769  -1.210
  167    HA   ARG  25           HA       ARG  25   3.247  -6.837  -0.983
  168   1HB   ARG  25          2HB       ARG  25   0.619  -6.616  -1.912
  169   2HB   ARG  25          1HB       ARG  25   1.568  -6.929  -3.359
  170   1HG   ARG  25          2HG       ARG  25   2.436  -8.948  -2.443
  171   2HG   ARG  25          1HG       ARG  25   1.759  -8.582  -0.856
  172   1HD   ARG  25          2HD       ARG  25  -0.515  -8.592  -2.070
  173   2HD   ARG  25          1HD       ARG  25   0.344  -9.431  -3.361
  174    HE   ARG  25           HE       ARG  25  -0.481 -10.524  -0.858
  175   1HH1  ARG  25          1HH1      ARG  25   1.973 -10.737  -3.329
  176   2HH1  ARG  25          2HH1      ARG  25   2.360 -12.388  -2.980
  177   1HH2  ARG  25          1HH2      ARG  25   0.027 -12.697  -0.395
  178   2HH2  ARG  25          2HH2      ARG  25   1.255 -13.501  -1.315
  179    H    TYR  26           H        TYR  26   2.203  -4.699  -3.612
  180    HA   TYR  26           HA       TYR  26   4.295  -5.314  -5.378
  181   1HB   TYR  26          2HB       TYR  26   3.074  -4.106  -6.801
  182   2HB   TYR  26          1HB       TYR  26   1.910  -4.082  -5.490
  183    HD1  TYR  26          1HD       TYR  26   1.055  -2.069  -4.814
  184    HD2  TYR  26          2HD       TYR  26   4.747  -2.051  -6.857
  185    HE1  TYR  26          1HE       TYR  26   0.896   0.350  -4.967
  186    HE2  TYR  26          2HE       TYR  26   4.640   0.399  -6.968
  187    HH   TYR  26           HH       TYR  26   2.413   2.157  -6.930
  188    H    THR  27           H        THR  27   3.809  -2.287  -3.523
  189    HA   THR  27           HA       THR  27   6.215  -1.094  -4.256
  190    HB   THR  27           HB       THR  27   5.088  -0.706  -1.507
  191    HG1  THR  27          1HG       THR  27   3.223  -0.545  -2.441
  192   1HG2  THR  27          1HG2      THR  27   6.647   0.879  -3.405
  193   2HG2  THR  27          2HG2      THR  27   6.565   0.950  -1.645
  194   3HG2  THR  27          3HG2      THR  27   5.328   1.746  -2.618
  195    H    ALA  28           H        ALA  28   5.497  -3.180  -1.484
  196    HA   ALA  28           HA       ALA  28   7.902  -3.013  -0.151
  197   1HB   ALA  28          1HB       ALA  28   7.403  -5.284   0.710
  198   2HB   ALA  28          2HB       ALA  28   6.090  -5.398  -0.461
  199   3HB   ALA  28          3HB       ALA  28   6.036  -4.174   0.809
  200    H    GLY  29           H        GLY  29   7.068  -5.121  -2.883
  201   1HA   GLY  29          2HA       GLY  29   9.616  -6.437  -2.900
  202   2HA   GLY  29          1HA       GLY  29   8.392  -6.520  -4.160
  203    H    ILE  30           H        ILE  30   8.149  -3.999  -5.050
  204    HA   ILE  30           HA       ILE  30  10.423  -3.679  -6.695
  205    HB   ILE  30           HB       ILE  30   8.141  -2.994  -7.355
  206   1HG1  ILE  30          2HG1      ILE  30   8.786  -0.820  -8.407
  207   2HG1  ILE  30          1HG1      ILE  30  10.228  -0.804  -7.397
  208   1HG2  ILE  30          1HG2      ILE  30   7.696  -1.974  -5.050
  209   2HG2  ILE  30          2HG2      ILE  30   7.007  -1.183  -6.467
  210   3HG2  ILE  30          3HG2      ILE  30   8.456  -0.524  -5.706
  211   1HD1  ILE  30          1HD1      ILE  30  10.210  -3.291  -8.684
  212   2HD1  ILE  30          2HD1      ILE  30  11.281  -1.922  -8.981
  213   3HD1  ILE  30          3HD1      ILE  30   9.788  -2.092  -9.907
  214    H    ASN  31           H        ASN  31   9.253  -1.773  -3.914
  215    HA   ASN  31           HA       ASN  31  11.283   0.172  -4.029
  216   1HB   ASN  31          2HB       ASN  31   9.034  -0.035  -2.583
  217   2HB   ASN  31          1HB       ASN  31  10.189  -0.568  -1.363
  218   1HD2  ASN  31          1HD2      ASN  31  11.918   0.862  -0.807
  219   2HD2  ASN  31          2HD2      ASN  31  11.722   2.569  -0.979
  220    H    SER  32           H        SER  32  11.083  -2.974  -2.442
  221    HA   SER  32           HA       SER  32  13.394  -2.812  -0.884
  222   1HB   SER  32          2HB       SER  32  11.945  -5.120  -2.161
  223   2HB   SER  32          1HB       SER  32  13.447  -5.383  -1.273
  224    HG   SER  32           HG       SER  32  12.387  -4.267   0.505
  225    H    PHE  33           H        PHE  33  12.939  -3.570  -4.274
  226    HA   PHE  33           HA       PHE  33  15.511  -4.493  -4.891
  227   1HB   PHE  33          2HB       PHE  33  14.333  -4.787  -6.795
  228   2HB   PHE  33          1HB       PHE  33  13.141  -3.590  -6.325
  229    HD1  PHE  33          1HD       PHE  33  12.948  -1.634  -7.546
  230    HD2  PHE  33          2HD       PHE  33  16.573  -3.848  -7.752
  231    HE1  PHE  33          1HE       PHE  33  13.766  -0.122  -9.289
  232    HE2  PHE  33          2HE       PHE  33  17.395  -2.332  -9.503
  233    HZ   PHE  33           HZ       PHE  33  15.989  -0.470 -10.279
  234    H    VAL  34           H        VAL  34  14.181  -1.254  -4.613
  235    HA   VAL  34           HA       VAL  34  16.432   0.156  -5.627
  236    HB   VAL  34           HB       VAL  34  14.507   1.334  -3.659
  237   1HG1  VAL  34          1HG1      VAL  34  15.774   2.484  -6.133
  238   2HG1  VAL  34          2HG1      VAL  34  16.447   2.630  -4.509
  239   3HG1  VAL  34          3HG1      VAL  34  14.882   3.352  -4.883
  240   1HG2  VAL  34          1HG2      VAL  34  13.965   0.618  -6.532
  241   2HG2  VAL  34          2HG2      VAL  34  13.061   1.862  -5.677
  242   3HG2  VAL  34          3HG2      VAL  34  13.022   0.193  -5.105
  243    H    SER  35           H        SER  35  15.235  -0.018  -2.290
  244    HA   SER  35           HA       SER  35  17.366   1.158  -1.025
  245   1HB   SER  35          2HB       SER  35  15.978  -1.265   0.102
  246   2HB   SER  35          1HB       SER  35  16.676   0.094   0.980
  247    HG   SER  35           HG       SER  35  14.284  -0.041  -0.491
  248    H    GLY  36           H        GLY  36  17.100  -2.203  -2.101
  249   1HA   GLY  36          2HA       GLY  36  19.439  -3.196  -0.904
  250   2HA   GLY  36          1HA       GLY  36  18.691  -3.842  -2.360
  251    H    VAL  37           H        VAL  37  18.932  -1.865  -4.164
  252    HA   VAL  37           HA       VAL  37  21.704  -1.979  -4.870
  253    HB   VAL  37           HB       VAL  37  21.074  -0.617  -6.815
  254   1HG1  VAL  37          1HG1      VAL  37  20.115  -2.343  -7.895
  255   2HG1  VAL  37          2HG1      VAL  37  18.789  -2.472  -6.740
  256   3HG1  VAL  37          3HG1      VAL  37  20.361  -3.181  -6.362
  257   1HG2  VAL  37          1HG2      VAL  37  18.269  -0.552  -5.726
  258   2HG2  VAL  37          2HG2      VAL  37  18.900   0.268  -7.153
  259   3HG2  VAL  37          3HG2      VAL  37  19.405   0.785  -5.545
  260    H    ALA  38           H        ALA  38  19.596   0.323  -3.329
  261    HA   ALA  38           HA       ALA  38  21.269   2.605  -3.637
  262   1HB   ALA  38          1HB       ALA  38  18.805   1.907  -2.174
  263   2HB   ALA  38          2HB       ALA  38  19.177   3.313  -3.172
  264   3HB   ALA  38          3HB       ALA  38  19.759   3.233  -1.509
  265    H    SER  39           H        SER  39  21.264  -0.103  -1.500
  266    HA   SER  39           HA       SER  39  22.479   0.934   0.768
  267   1HB   SER  39          2HB       SER  39  22.870  -1.799  -0.473
  268   2HB   SER  39          1HB       SER  39  23.305  -1.358   1.178
  269    HG   SER  39           HG       SER  39  20.704  -1.366   0.044
  270    H    GLY  40           H        GLY  40  23.847   0.330  -2.387
  271   1HA   GLY  40          2HA       GLY  40  26.094   1.881  -1.985
  272   2HA   GLY  40          1HA       GLY  40  26.568   0.269  -1.498
  273    H    ALA  41           H        ALA  41  24.349   0.987  -4.168
  274    HA   ALA  41           HA       ALA  41  26.040  -0.538  -5.951
  275   1HB   ALA  41          1HB       ALA  41  24.273  -0.033  -7.638
  276   2HB   ALA  41          2HB       ALA  41  23.427   0.899  -6.403
  277   3HB   ALA  41          3HB       ALA  41  23.677  -0.834  -6.184
  278    H    GLY  42           H        GLY  42  25.281   2.825  -5.349
  279   1HA   GLY  42          2HA       GLY  42  27.252   4.291  -5.974
  280   2HA   GLY  42          1HA       GLY  42  27.053   3.619  -7.586
  281    H    SER  43           H        SER  43  25.003   5.135  -5.087
  282    HA   SER  43           HA       SER  43  24.326   7.355  -6.687
  283   1HB   SER  43          2HB       SER  43  22.081   6.863  -7.343
  284   2HB   SER  43          1HB       SER  43  23.074   5.514  -7.894
  285    HG   SER  43           HG       SER  43  21.204   5.621  -5.808
  286    H    ILE  44           H        ILE  44  25.002   8.093  -4.554
  287    HA   ILE  44           HA       ILE  44  22.703   8.599  -2.867
  288    HB   ILE  44           HB       ILE  44  23.558   6.499  -1.919
  289   1HG1  ILE  44          2HG1      ILE  44  24.345   7.759   0.380
  290   2HG1  ILE  44          1HG1      ILE  44  23.504   9.056  -0.461
  291   1HG2  ILE  44          1HG2      ILE  44  26.073   7.834  -1.051
  292   2HG2  ILE  44          2HG2      ILE  44  25.978   7.159  -2.677
  293   3HG2  ILE  44          3HG2      ILE  44  25.722   6.120  -1.275
  294   1HD1  ILE  44          1HD1      ILE  44  22.380   7.045   1.089
  295   2HD1  ILE  44          2HD1      ILE  44  21.989   6.613  -0.574
  296   3HD1  ILE  44          3HD1      ILE  44  21.533   8.195   0.056
  297    H    GLY  45           H        GLY  45  23.651  10.523  -4.241
  298   1HA   GLY  45          2HA       GLY  45  24.603  12.430  -2.422
  299   2HA   GLY  45          1HA       GLY  45  25.967  11.862  -3.372
  300    H    ARG  46           H        ARG  46  22.625  12.274  -4.433
  301    HA   ARG  46           HA       ARG  46  21.696  13.493  -6.099
  302   1HB   ARG  46          2HB       ARG  46  23.763  15.340  -4.985
  303   2HB   ARG  46          1HB       ARG  46  22.901  15.804  -6.439
  304   1HG   ARG  46          2HG       ARG  46  21.594  16.769  -4.827
  305   2HG   ARG  46          1HG       ARG  46  20.783  15.216  -5.033
  306   1HD   ARG  46          2HD       ARG  46  20.967  15.558  -2.702
  307   2HD   ARG  46          1HD       ARG  46  22.195  14.365  -3.120
  308    HE   ARG  46           HE       ARG  46  23.525  16.731  -3.235
  309   1HH1  ARG  46          1HH1      ARG  46  21.572  15.170  -0.800
  310   2HH1  ARG  46          2HH1      ARG  46  22.429  15.884   0.524
  311   1HH2  ARG  46          1HH2      ARG  46  24.653  17.673  -1.492
  312   2HH2  ARG  46          2HH2      ARG  46  24.176  17.306   0.132
  313    H    ARG  47           H        ARG  47  22.567  15.000  -8.132
  314    HA   ARG  47           HA       ARG  47  23.306  14.724 -10.267
  315   1HB   ARG  47          2HB       ARG  47  25.813  14.521 -10.427
  316   2HB   ARG  47          1HB       ARG  47  25.220  15.836  -9.428
  317   1HG   ARG  47          2HG       ARG  47  25.752  14.642  -7.421
  318   2HG   ARG  47          1HG       ARG  47  26.141  13.184  -8.339
  319   1HD   ARG  47          2HD       ARG  47  27.866  14.738  -9.527
  320   2HD   ARG  47          1HD       ARG  47  27.670  15.739  -8.089
  321    HE   ARG  47           HE       ARG  47  28.823  14.173  -6.871
  322   1HH1  ARG  47          1HH1      ARG  47  27.960  12.808  -9.965
  323   2HH1  ARG  47          2HH1      ARG  47  28.945  11.400  -9.758
  324   1HH2  ARG  47          1HH2      ARG  47  30.118  12.322  -6.596
  325   2HH2  ARG  47          2HH2      ARG  47  30.170  11.122  -7.845
  326    HA   PRO  48           HA       PRO  48  23.053  10.217 -10.680
  327   1HB   PRO  48          2HB       PRO  48  21.742  10.209 -13.033
  328   2HB   PRO  48          1HB       PRO  48  20.915  10.522 -11.501
  329   1HG   PRO  48          2HG       PRO  48  21.880  12.467 -13.565
  330   2HG   PRO  48          1HG       PRO  48  20.342  12.446 -12.684
  331   1HD   PRO  48          2HD       PRO  48  22.432  14.048 -11.991
  332   2HD   PRO  48          1HD       PRO  48  21.256  13.423 -10.813
  Start of MODEL    6
    1    H    VAL   1           H        VAL   1 -21.395   3.132   4.460
    2    HA   VAL   1           HA       VAL   1 -20.851   5.464   3.801
    3    HB   VAL   1           HB       VAL   1 -21.377   5.328   6.096
    4   1HG1  VAL   1          1HG1      VAL   1 -19.793   4.373   7.771
    5   2HG1  VAL   1          2HG1      VAL   1 -20.283   3.174   6.550
    6   3HG1  VAL   1          3HG1      VAL   1 -18.682   3.945   6.448
    7   1HG2  VAL   1          1HG2      VAL   1 -20.078   7.035   6.977
    8   2HG2  VAL   1          2HG2      VAL   1 -18.553   6.304   6.423
    9   3HG2  VAL   1          3HG2      VAL   1 -19.606   7.151   5.264
   10    H    ASN   2           H        ASN   2 -19.222   4.679   2.022
   11    HA   ASN   2           HA       ASN   2 -16.766   6.068   2.540
   12   1HB   ASN   2          2HB       ASN   2 -15.318   4.123   1.895
   13   2HB   ASN   2          1HB       ASN   2 -16.089   3.972   3.471
   14   1HD2  ASN   2          1HD2      ASN   2 -15.670   2.597   0.385
   15   2HD2  ASN   2          2HD2      ASN   2 -16.746   1.258   0.577
   16    H    TYR   3           H        TYR   3 -18.099   7.174   0.783
   17    HA   TYR   3           HA       TYR   3 -18.077   5.932  -1.829
   18   1HB   TYR   3          2HB       TYR   3 -18.655   8.819  -1.093
   19   2HB   TYR   3          1HB       TYR   3 -19.008   8.044  -2.633
   20    HD1  TYR   3          1HD       TYR   3 -20.994   6.790  -2.947
   21    HD2  TYR   3          2HD       TYR   3 -19.900   8.091   0.958
   22    HE1  TYR   3          1HE       TYR   3 -23.202   6.113  -2.108
   23    HE2  TYR   3          2HE       TYR   3 -22.108   7.419   1.805
   24    HH   TYR   3           HH       TYR   3 -23.919   5.914   1.220
   25    H    GLY   4           H        GLY   4 -16.692   6.412  -3.535
   26   1HA   GLY   4          2HA       GLY   4 -15.041   8.380  -4.138
   27   2HA   GLY   4          1HA       GLY   4 -14.174   7.693  -2.767
   28    H    ASN   5           H        ASN   5 -14.537   7.607  -6.081
   29    HA   ASN   5           HA       ASN   5 -13.383   6.416  -7.663
   30   1HB   ASN   5          2HB       ASN   5 -11.844   5.866  -5.541
   31   2HB   ASN   5          1HB       ASN   5 -12.522   4.260  -5.791
   32   1HD2  ASN   5          1HD2      ASN   5 -10.019   4.171  -6.068
   33   2HD2  ASN   5          2HD2      ASN   5  -9.481   4.212  -7.709
   34    H    GLY   6           H        GLY   6 -15.737   6.051  -8.146
   35   1HA   GLY   6          2HA       GLY   6 -17.131   4.471  -9.165
   36   2HA   GLY   6          1HA       GLY   6 -16.163   3.196  -8.435
   37    H    VAL   7           H        VAL   7 -18.705   5.557  -7.819
   38    HA   VAL   7           HA       VAL   7 -19.319   4.345  -5.252
   39    HB   VAL   7           HB       VAL   7 -21.181   6.045  -5.206
   40   1HG1  VAL   7          1HG1      VAL   7 -19.167   6.499  -4.019
   41   2HG1  VAL   7          2HG1      VAL   7 -19.605   7.970  -4.887
   42   3HG1  VAL   7          3HG1      VAL   7 -18.318   6.934  -5.503
   43   1HG2  VAL   7          1HG2      VAL   7 -20.834   6.221  -7.880
   44   2HG2  VAL   7          2HG2      VAL   7 -19.872   7.599  -7.343
   45   3HG2  VAL   7          3HG2      VAL   7 -21.575   7.486  -6.900
   46    H    SER   8           H        SER   8 -20.336   2.464  -5.313
   47    HA   SER   8           HA       SER   8 -22.979   2.175  -6.188
   48   1HB   SER   8          2HB       SER   8 -22.223   0.301  -7.959
   49   2HB   SER   8          1HB       SER   8 -22.516   1.975  -8.431
   50    HG   SER   8           HG       SER   8 -20.545   1.581  -9.231
   51    H    CYS   9           H        CYS   9 -22.462   1.534  -3.877
   52    HA   CYS   9           HA       CYS   9 -22.281  -1.367  -3.767
   53   1HB   CYS   9          2HB       CYS   9 -20.003   0.008  -3.278
   54   2HB   CYS   9          1HB       CYS   9 -20.707   0.006  -1.665
   55    H    SER  10           H        SER  10 -24.574  -0.929  -3.381
   56    HA   SER  10           HA       SER  10 -25.195   0.205  -0.754
   57   1HB   SER  10          2HB       SER  10 -27.578  -0.025  -1.557
   58   2HB   SER  10          1HB       SER  10 -26.576   1.068  -2.509
   59    HG   SER  10           HG       SER  10 -27.763  -1.303  -3.220
   60    H    LYS  11           H        LYS  11 -26.359  -0.932   0.814
   61    HA   LYS  11           HA       LYS  11 -27.170  -2.714   1.984
   62   1HB   LYS  11          2HB       LYS  11 -26.943  -4.101  -0.685
   63   2HB   LYS  11          1HB       LYS  11 -27.397  -4.962   0.774
   64   1HG   LYS  11          2HG       LYS  11 -28.876  -2.631  -0.429
   65   2HG   LYS  11          1HG       LYS  11 -29.347  -4.327  -0.523
   66   1HD   LYS  11          2HD       LYS  11 -28.878  -3.515   2.214
   67   2HD   LYS  11          1HD       LYS  11 -30.083  -2.488   1.435
   68   1HE   LYS  11          2HE       LYS  11 -31.462  -4.147   2.140
   69   2HE   LYS  11          1HE       LYS  11 -30.974  -4.849   0.598
   70   1HZ   LYS  11          1HZ       LYS  11 -30.318  -5.677   3.301
   71   2HZ   LYS  11          2HZ       LYS  11 -29.044  -5.754   2.191
   72   3HZ   LYS  11          3HZ       LYS  11 -30.477  -6.601   1.892
   73    H    THR  12           H        THR  12 -26.052  -3.789   3.493
   74    HA   THR  12           HA       THR  12 -24.312  -4.785   4.570
   75    HB   THR  12           HB       THR  12 -23.381  -5.870   1.926
   76    HG1  THR  12          1HG       THR  12 -25.490  -7.006   3.423
   77   1HG2  THR  12          1HG2      THR  12 -23.173  -6.696   4.753
   78   2HG2  THR  12          2HG2      THR  12 -22.017  -6.856   3.430
   79   3HG2  THR  12          3HG2      THR  12 -23.380  -7.970   3.549
   80    H    LYS  13           H        LYS  13 -21.774  -5.074   4.395
   81    HA   LYS  13           HA       LYS  13 -20.729  -2.436   3.887
   82   1HB   LYS  13          2HB       LYS  13 -20.164  -4.182   5.803
   83   2HB   LYS  13          1HB       LYS  13 -18.972  -4.734   4.636
   84   1HG   LYS  13          2HG       LYS  13 -17.741  -3.223   5.825
   85   2HG   LYS  13          1HG       LYS  13 -18.349  -2.191   4.531
   86   1HD   LYS  13          2HD       LYS  13 -20.338  -1.824   6.227
   87   2HD   LYS  13          1HD       LYS  13 -19.109  -2.284   7.408
   88   1HE   LYS  13          2HE       LYS  13 -17.708  -0.511   5.950
   89   2HE   LYS  13          1HE       LYS  13 -19.332   0.144   5.738
   90   1HZ   LYS  13          1HZ       LYS  13 -18.759   1.184   7.652
   91   2HZ   LYS  13          2HZ       LYS  13 -17.699  -0.034   8.151
   92   3HZ   LYS  13          3HZ       LYS  13 -19.367  -0.238   8.338
   93    H    CYS  14           H        CYS  14 -18.686  -2.132   2.647
   94    HA   CYS  14           HA       CYS  14 -18.756  -3.787   0.217
   95   1HB   CYS  14          2HB       CYS  14 -19.181  -1.210   0.269
   96   2HB   CYS  14          1HB       CYS  14 -17.424  -1.118   0.370
   97    H    SER  15           H        SER  15 -17.183  -5.231   0.049
   98    HA   SER  15           HA       SER  15 -14.726  -4.929   1.546
   99   1HB   SER  15          2HB       SER  15 -15.175  -7.161  -0.400
  100   2HB   SER  15          1HB       SER  15 -14.357  -7.189   1.163
  101    HG   SER  15           HG       SER  15 -16.962  -7.662   0.568
  102    H    VAL  16           H        VAL  16 -12.869  -6.138  -0.065
  103    HA   VAL  16           HA       VAL  16 -11.479  -5.888  -1.868
  104    HB   VAL  16           HB       VAL  16 -13.181  -3.742  -3.104
  105   1HG1  VAL  16          1HG1      VAL  16 -11.079  -5.642  -3.939
  106   2HG1  VAL  16          2HG1      VAL  16 -11.404  -3.995  -4.480
  107   3HG1  VAL  16          3HG1      VAL  16 -12.367  -5.335  -5.102
  108   1HG2  VAL  16          1HG2      VAL  16 -14.175  -5.877  -4.346
  109   2HG2  VAL  16          2HG2      VAL  16 -14.931  -5.192  -2.909
  110   3HG2  VAL  16          3HG2      VAL  16 -13.886  -6.606  -2.767
  111    H    ASN  17           H        ASN  17  -9.943  -5.010  -0.504
  112    HA   ASN  17           HA       ASN  17  -9.737  -2.057  -0.538
  113   1HB   ASN  17          2HB       ASN  17  -9.303  -4.047   1.651
  114   2HB   ASN  17          1HB       ASN  17  -8.322  -2.582   1.623
  115   1HD2  ASN  17          1HD2      ASN  17  -9.832  -2.875   3.754
  116   2HD2  ASN  17          2HD2      ASN  17 -11.218  -1.845   3.717
  117    H    TRP  18           H        TRP  18  -8.723  -3.981  -2.425
  118    HA   TRP  18           HA       TRP  18  -6.168  -4.845  -2.305
  119   1HB   TRP  18          2HB       TRP  18  -7.995  -4.145  -4.363
  120   2HB   TRP  18          1HB       TRP  18  -6.444  -3.432  -4.795
  121    HD1  TRP  18           HD       TRP  18  -5.022  -4.983  -6.217
  122    HE1  TRP  18          1HE       TRP  18  -4.740  -7.530  -6.478
  123    HE3  TRP  18          3HE       TRP  18  -8.341  -6.534  -2.657
  124    HZ2  TRP  18          2HZ       TRP  18  -5.784  -9.880  -5.320
  125    HZ3  TRP  18          3HZ       TRP  18  -8.635  -8.947  -2.290
  126    HH2  TRP  18           HH       TRP  18  -7.383 -10.585  -3.595
  127    H    GLY  19           H        GLY  19  -7.167  -1.476  -2.401
  128   1HA   GLY  19          2HA       GLY  19  -4.986  -0.113  -3.270
  129   2HA   GLY  19          1HA       GLY  19  -5.957   0.422  -1.908
  130    H    GLN  20           H        GLN  20  -5.416  -1.004   0.146
  131    HA   GLN  20           HA       GLN  20  -2.714  -0.348   0.794
  132   1HB   GLN  20          2HB       GLN  20  -4.950  -1.701   2.278
  133   2HB   GLN  20          1HB       GLN  20  -3.328  -1.664   2.951
  134   1HG   GLN  20          2HG       GLN  20  -4.036   0.959   2.078
  135   2HG   GLN  20          1HG       GLN  20  -5.321   0.314   3.099
  136   1HE2  GLN  20          1HE2      GLN  20  -1.931   1.135   2.933
  137   2HE2  GLN  20          2HE2      GLN  20  -1.663   1.215   4.637
  138    H    ALA  21           H        ALA  21  -4.400  -3.353   0.076
  139    HA   ALA  21           HA       ALA  21  -2.308  -5.120   0.787
  140   1HB   ALA  21          1HB       ALA  21  -3.544  -6.777  -0.514
  141   2HB   ALA  21          2HB       ALA  21  -4.524  -5.492  -1.224
  142   3HB   ALA  21          3HB       ALA  21  -4.638  -5.836   0.501
  143    H    PHE  22           H        PHE  22  -3.409  -4.371  -2.530
  144    HA   PHE  22           HA       PHE  22  -1.251  -5.438  -3.855
  145   1HB   PHE  22          2HB       PHE  22  -3.311  -4.466  -4.941
  146   2HB   PHE  22          1HB       PHE  22  -2.599  -2.869  -4.702
  147    HD1  PHE  22          1HD       PHE  22  -1.957  -6.160  -6.295
  148    HD2  PHE  22          2HD       PHE  22  -1.109  -2.004  -6.168
  149    HE1  PHE  22          1HE       PHE  22  -0.582  -6.381  -8.310
  150    HE2  PHE  22          2HE       PHE  22   0.251  -2.204  -8.180
  151    HZ   PHE  22           HZ       PHE  22   0.520  -4.397  -9.282
  152    H    GLN  23           H        GLN  23  -1.455  -2.354  -2.187
  153    HA   GLN  23           HA       GLN  23   0.942  -1.339  -3.412
  154   1HB   GLN  23          2HB       GLN  23  -0.772   0.233  -2.736
  155   2HB   GLN  23          1HB       GLN  23  -0.743  -0.366  -1.087
  156   1HG   GLN  23          2HG       GLN  23   1.659   0.421  -0.982
  157   2HG   GLN  23          1HG       GLN  23   1.344   1.263  -2.499
  158   1HE2  GLN  23          1HE2      GLN  23   0.115   3.085  -2.502
  159   2HE2  GLN  23          2HE2      GLN  23  -0.442   3.866  -1.066
  160    H    GLU  24           H        GLU  24   0.106  -2.887  -0.373
  161    HA   GLU  24           HA       GLU  24   2.667  -2.404   0.833
  162   1HB   GLU  24          2HB       GLU  24   0.662  -2.736   2.203
  163   2HB   GLU  24          1HB       GLU  24   0.467  -4.355   1.554
  164   1HG   GLU  24          2HG       GLU  24   3.096  -4.101   2.618
  165   2HG   GLU  24          1HG       GLU  24   1.931  -3.552   3.822
  166    H    ARG  25           H        ARG  25   1.240  -4.708  -1.249
  167    HA   ARG  25           HA       ARG  25   3.164  -6.797  -0.878
  168   1HB   ARG  25          2HB       ARG  25   0.622  -6.468  -2.053
  169   2HB   ARG  25          1HB       ARG  25   1.701  -6.940  -3.356
  170   1HG   ARG  25          2HG       ARG  25   2.285  -8.956  -2.284
  171   2HG   ARG  25          1HG       ARG  25   1.586  -8.429  -0.753
  172   1HD   ARG  25          2HD       ARG  25  -0.386  -9.280  -1.308
  173   2HD   ARG  25          1HD       ARG  25  -0.415  -8.342  -2.801
  174    HE   ARG  25           HE       ARG  25   0.337 -11.118  -2.492
  175   1HH1  ARG  25          1HH1      ARG  25   0.429  -8.293  -4.541
  176   2HH1  ARG  25          2HH1      ARG  25   0.703  -9.200  -5.988
  177   1HH2  ARG  25          1HH2      ARG  25   0.702 -12.309  -4.395
  178   2HH2  ARG  25          2HH2      ARG  25   0.859 -11.478  -5.907
  179    H    TYR  26           H        TYR  26   2.346  -4.676  -3.632
  180    HA   TYR  26           HA       TYR  26   4.654  -5.368  -5.114
  181   1HB   TYR  26          2HB       TYR  26   3.742  -4.132  -6.774
  182   2HB   TYR  26          1HB       TYR  26   2.323  -4.322  -5.774
  183    HD1  TYR  26          1HD       TYR  26   5.084  -1.916  -6.508
  184    HD2  TYR  26          2HD       TYR  26   1.140  -2.504  -5.128
  185    HE1  TYR  26          1HE       TYR  26   4.697   0.504  -6.547
  186    HE2  TYR  26          2HE       TYR  26   0.718  -0.101  -5.164
  187    HH   TYR  26           HH       TYR  26   2.569   2.041  -6.784
  188    H    THR  27           H        THR  27   3.894  -2.238  -3.483
  189    HA   THR  27           HA       THR  27   6.341  -1.037  -3.998
  190    HB   THR  27           HB       THR  27   5.028  -0.547  -1.356
  191    HG1  THR  27          1HG       THR  27   3.204  -0.057  -2.224
  192   1HG2  THR  27          1HG2      THR  27   6.589   1.078  -1.618
  193   2HG2  THR  27          2HG2      THR  27   5.231   1.854  -2.431
  194   3HG2  THR  27          3HG2      THR  27   6.487   1.055  -3.377
  195    H    ALA  28           H        ALA  28   5.469  -3.319  -1.458
  196    HA   ALA  28           HA       ALA  28   7.737  -3.098   0.149
  197   1HB   ALA  28          1HB       ALA  28   5.812  -5.307  -0.415
  198   2HB   ALA  28          2HB       ALA  28   6.119  -4.439   1.090
  199   3HB   ALA  28          3HB       ALA  28   7.268  -5.650   0.520
  200    H    GLY  29           H        GLY  29   7.171  -5.262  -2.625
  201   1HA   GLY  29          2HA       GLY  29   9.861  -6.272  -2.622
  202   2HA   GLY  29          1HA       GLY  29   8.648  -6.530  -3.868
  203    H    ILE  30           H        ILE  30   8.127  -3.770  -4.401
  204    HA   ILE  30           HA       ILE  30  10.189  -3.268  -6.304
  205    HB   ILE  30           HB       ILE  30   7.876  -1.542  -5.387
  206   1HG1  ILE  30          2HG1      ILE  30   7.263  -3.672  -6.491
  207   2HG1  ILE  30          1HG1      ILE  30   6.798  -2.266  -7.441
  208   1HG2  ILE  30          1HG2      ILE  30   9.111   0.094  -6.352
  209   2HG2  ILE  30          2HG2      ILE  30   8.425  -0.589  -7.826
  210   3HG2  ILE  30          3HG2      ILE  30  10.055  -1.036  -7.323
  211   1HD1  ILE  30          1HD1      ILE  30   9.388  -3.014  -8.269
  212   2HD1  ILE  30          2HD1      ILE  30   7.875  -3.109  -9.170
  213   3HD1  ILE  30          3HD1      ILE  30   8.406  -4.478  -8.194
  214    H    ASN  31           H        ASN  31   9.279  -1.826  -3.205
  215    HA   ASN  31           HA       ASN  31  11.138   0.284  -3.227
  216   1HB   ASN  31          2HB       ASN  31   9.226   0.182  -1.652
  217   2HB   ASN  31          1HB       ASN  31   9.991  -1.180  -0.830
  218   1HD2  ASN  31          1HD2      ASN  31  10.612   2.170  -1.802
  219   2HD2  ASN  31          2HD2      ASN  31  11.539   2.584  -0.404
  220    H    SER  32           H        SER  32  11.336  -3.073  -2.129
  221    HA   SER  32           HA       SER  32  13.800  -2.989  -0.835
  222   1HB   SER  32          2HB       SER  32  12.020  -4.987  -1.433
  223   2HB   SER  32          1HB       SER  32  13.372  -5.393  -2.491
  224    HG   SER  32           HG       SER  32  14.723  -5.338  -0.645
  225    H    PHE  33           H        PHE  33  13.057  -3.595  -4.252
  226    HA   PHE  33           HA       PHE  33  15.523  -4.071  -5.314
  227   1HB   PHE  33          2HB       PHE  33  14.095  -4.047  -7.082
  228   2HB   PHE  33          1HB       PHE  33  13.006  -2.918  -6.285
  229    HD1  PHE  33          1HD       PHE  33  13.503  -0.468  -6.385
  230    HD2  PHE  33          2HD       PHE  33  15.582  -3.313  -8.765
  231    HE1  PHE  33          1HE       PHE  33  14.279   1.341  -7.854
  232    HE2  PHE  33          2HE       PHE  33  16.360  -1.508 -10.247
  233    HZ   PHE  33           HZ       PHE  33  15.707   0.823  -9.791
  234    H    VAL  34           H        VAL  34  14.166  -0.981  -4.302
  235    HA   VAL  34           HA       VAL  34  16.280   0.637  -5.296
  236    HB   VAL  34           HB       VAL  34  14.603   1.448  -2.945
  237   1HG1  VAL  34          1HG1      VAL  34  16.276   3.009  -3.589
  238   2HG1  VAL  34          2HG1      VAL  34  14.726   3.636  -4.152
  239   3HG1  VAL  34          3HG1      VAL  34  15.836   2.872  -5.291
  240   1HG2  VAL  34          1HG2      VAL  34  12.840   2.167  -4.484
  241   2HG2  VAL  34          2HG2      VAL  34  13.056   0.422  -4.545
  242   3HG2  VAL  34          3HG2      VAL  34  13.708   1.435  -5.830
  243    H    SER  35           H        SER  35  15.458  -0.097  -1.916
  244    HA   SER  35           HA       SER  35  17.690   0.873  -0.689
  245   1HB   SER  35          2HB       SER  35  16.457  -1.765   0.102
  246   2HB   SER  35          1HB       SER  35  17.227  -0.573   1.148
  247    HG   SER  35           HG       SER  35  14.713  -0.743   0.720
  248    H    GLY  36           H        GLY  36  17.330  -2.494  -1.832
  249   1HA   GLY  36          2HA       GLY  36  19.930  -3.354  -1.297
  250   2HA   GLY  36          1HA       GLY  36  18.905  -4.004  -2.572
  251    H    VAL  37           H        VAL  37  18.649  -2.092  -4.366
  252    HA   VAL  37           HA       VAL  37  21.131  -2.037  -5.715
  253    HB   VAL  37           HB       VAL  37  18.551  -0.538  -6.198
  254   1HG1  VAL  37          1HG1      VAL  37  19.609  -0.355  -8.576
  255   2HG1  VAL  37          2HG1      VAL  37  21.132  -0.478  -7.693
  256   3HG1  VAL  37          3HG1      VAL  37  20.007   0.833  -7.335
  257   1HG2  VAL  37          1HG2      VAL  37  18.747  -3.102  -6.410
  258   2HG2  VAL  37          2HG2      VAL  37  19.674  -2.755  -7.869
  259   3HG2  VAL  37          3HG2      VAL  37  18.006  -2.195  -7.730
  260    H    ALA  38           H        ALA  38  19.753   0.016  -3.327
  261    HA   ALA  38           HA       ALA  38  21.211   2.392  -4.031
  262   1HB   ALA  38          1HB       ALA  38  19.713   1.654  -1.521
  263   2HB   ALA  38          2HB       ALA  38  19.094   2.588  -2.880
  264   3HB   ALA  38          3HB       ALA  38  20.382   3.247  -1.872
  265    H    SER  39           H        SER  39  21.790  -0.445  -2.122
  266    HA   SER  39           HA       SER  39  23.805   0.563  -0.426
  267   1HB   SER  39          2HB       SER  39  22.564  -1.676  -0.247
  268   2HB   SER  39          1HB       SER  39  23.705  -2.272  -1.454
  269    HG   SER  39           HG       SER  39  24.425  -2.682   0.676
  270    H    GLY  40           H        GLY  40  23.906  -0.952  -3.625
  271   1HA   GLY  40          2HA       GLY  40  26.783  -0.738  -3.798
  272   2HA   GLY  40          1HA       GLY  40  25.695  -1.276  -5.070
  273    H    ALA  41           H        ALA  41  24.066   0.735  -5.579
  274    HA   ALA  41           HA       ALA  41  23.868   2.728  -6.670
  275   1HB   ALA  41          1HB       ALA  41  26.127   3.533  -4.855
  276   2HB   ALA  41          2HB       ALA  41  24.404   3.667  -4.500
  277   3HB   ALA  41          3HB       ALA  41  25.118   4.634  -5.791
  278    H    GLY  42           H        GLY  42  25.949   0.643  -7.473
  279   1HA   GLY  42          2HA       GLY  42  27.026   2.188  -9.673
  280   2HA   GLY  42          1HA       GLY  42  28.239   1.563  -8.567
  281    H    SER  43           H        SER  43  25.266  -0.127  -9.319
  282    HA   SER  43           HA       SER  43  26.858  -2.297 -10.475
  283   1HB   SER  43          2HB       SER  43  24.924  -2.411  -8.589
  284   2HB   SER  43          1HB       SER  43  23.951  -2.672 -10.036
  285    HG   SER  43           HG       SER  43  24.632  -4.663  -9.486
  286    H    ILE  44           H        ILE  44  26.182   0.178 -11.943
  287    HA   ILE  44           HA       ILE  44  25.723   0.711 -14.109
  288    HB   ILE  44           HB       ILE  44  24.870  -2.156 -14.518
  289   1HG1  ILE  44          2HG1      ILE  44  27.559  -1.123 -15.318
  290   2HG1  ILE  44          1HG1      ILE  44  27.300  -1.586 -13.640
  291   1HG2  ILE  44          1HG2      ILE  44  25.458  -1.668 -16.877
  292   2HG2  ILE  44          2HG2      ILE  44  25.714   0.018 -16.427
  293   3HG2  ILE  44          3HG2      ILE  44  24.111  -0.703 -16.276
  294   1HD1  ILE  44          1HD1      ILE  44  28.267  -3.396 -14.958
  295   2HD1  ILE  44          2HD1      ILE  44  26.864  -3.365 -16.027
  296   3HD1  ILE  44          3HD1      ILE  44  26.674  -3.822 -14.335
  297    H    GLY  45           H        GLY  45  24.035   1.978 -13.136
  298   1HA   GLY  45          2HA       GLY  45  21.461   1.356 -14.280
  299   2HA   GLY  45          1HA       GLY  45  21.470   1.316 -12.526
  300    H    ARG  46           H        ARG  46  23.330   3.475 -14.599
  301    HA   ARG  46           HA       ARG  46  21.550   5.693 -14.221
  302   1HB   ARG  46          2HB       ARG  46  23.031   7.081 -12.894
  303   2HB   ARG  46          1HB       ARG  46  22.666   5.602 -12.017
  304   1HG   ARG  46          2HG       ARG  46  24.890   4.741 -13.025
  305   2HG   ARG  46          1HG       ARG  46  25.225   6.451 -13.304
  306   1HD   ARG  46          2HD       ARG  46  24.222   5.946 -10.626
  307   2HD   ARG  46          1HD       ARG  46  25.694   5.039 -10.970
  308    HE   ARG  46           HE       ARG  46  26.269   7.550 -11.828
  309   1HH1  ARG  46          1HH1      ARG  46  25.099   6.231  -8.816
  310   2HH1  ARG  46          2HH1      ARG  46  25.837   7.462  -7.847
  311   1HH2  ARG  46          1HH2      ARG  46  27.239   9.170 -10.555
  312   2HH2  ARG  46          2HH2      ARG  46  27.052   9.131  -8.833
  313    H    ARG  47           H        ARG  47  21.605   6.113 -16.368
  314    HA   ARG  47           HA       ARG  47  24.133   7.147 -17.430
  315   1HB   ARG  47          2HB       ARG  47  22.379   5.093 -18.782
  316   2HB   ARG  47          1HB       ARG  47  23.583   6.044 -19.639
  317   1HG   ARG  47          2HG       ARG  47  24.798   4.171 -19.213
  318   2HG   ARG  47          1HG       ARG  47  25.174   5.106 -17.765
  319   1HD   ARG  47          2HD       ARG  47  24.549   3.234 -16.685
  320   2HD   ARG  47          1HD       ARG  47  22.917   3.835 -16.977
  321    HE   ARG  47           HE       ARG  47  23.803   2.276 -19.165
  322   1HH1  ARG  47          1HH1      ARG  47  22.681   1.985 -15.874
  323   2HH1  ARG  47          2HH1      ARG  47  22.039   0.393 -16.102
  324   1HH2  ARG  47          1HH2      ARG  47  22.958   0.182 -19.467
  325   2HH2  ARG  47          2HH2      ARG  47  22.197  -0.631 -18.141
  326    HA   PRO  48           HA       PRO  48  21.756  10.541 -18.891
  327   1HB   PRO  48          2HB       PRO  48  23.176  10.347 -21.483
  328   2HB   PRO  48          1HB       PRO  48  23.098  11.694 -20.342
  329   1HG   PRO  48          2HG       PRO  48  25.316  10.226 -20.600
  330   2HG   PRO  48          1HG       PRO  48  24.800  10.850 -19.023
  331   1HD   PRO  48          2HD       PRO  48  24.563   8.086 -20.142
  332   2HD   PRO  48          1HD       PRO  48  24.940   8.609 -18.483
  Start of MODEL    7
    1    H    VAL   1           H        VAL   1 -19.954   7.195  12.653
    2    HA   VAL   1           HA       VAL   1 -18.174   8.822  12.057
    3    HB   VAL   1           HB       VAL   1 -20.696   9.985  13.299
    4   1HG1  VAL   1          1HG1      VAL   1 -20.154  11.924  11.736
    5   2HG1  VAL   1          2HG1      VAL   1 -19.087  11.772  13.153
    6   3HG1  VAL   1          3HG1      VAL   1 -18.529  11.220  11.555
    7   1HG2  VAL   1          1HG2      VAL   1 -21.300  10.142  10.826
    8   2HG2  VAL   1          2HG2      VAL   1 -19.873   9.130  10.497
    9   3HG2  VAL   1          3HG2      VAL   1 -21.209   8.490  11.483
   10    H    ASN   2           H        ASN   2 -17.396   7.763  14.613
   11    HA   ASN   2           HA       ASN   2 -17.075   9.974  16.419
   12   1HB   ASN   2          2HB       ASN   2 -17.074   7.293  16.797
   13   2HB   ASN   2          1HB       ASN   2 -15.339   7.601  16.747
   14   1HD2  ASN   2          1HD2      ASN   2 -17.479   6.965  18.879
   15   2HD2  ASN   2          2HD2      ASN   2 -17.088   8.058  20.159
   16    H    TYR   3           H        TYR   3 -14.893  10.595  17.209
   17    HA   TYR   3           HA       TYR   3 -12.650  10.337  15.387
   18   1HB   TYR   3          2HB       TYR   3 -14.433  12.634  15.243
   19   2HB   TYR   3          1HB       TYR   3 -12.825  13.138  15.729
   20    HD1  TYR   3          1HD       TYR   3 -10.972  13.015  14.187
   21    HD2  TYR   3          2HD       TYR   3 -14.812  11.619  13.048
   22    HE1  TYR   3          1HE       TYR   3 -10.266  12.989  11.838
   23    HE2  TYR   3          2HE       TYR   3 -14.118  11.586  10.702
   24    HH   TYR   3           HH       TYR   3 -11.351  13.103   9.583
   25    H    GLY   4           H        GLY   4 -13.157   9.602  18.043
   26   1HA   GLY   4          2HA       GLY   4 -11.153  11.247  19.477
   27   2HA   GLY   4          1HA       GLY   4 -12.638  10.732  20.273
   28    H    ASN   5           H        ASN   5 -10.339   9.113  18.142
   29    HA   ASN   5           HA       ASN   5  -9.421   7.315  20.203
   30   1HB   ASN   5          2HB       ASN   5 -11.241   6.361  17.989
   31   2HB   ASN   5          1HB       ASN   5 -10.183   5.281  18.882
   32   1HD2  ASN   5          1HD2      ASN   5 -10.751   4.619  20.871
   33   2HD2  ASN   5          2HD2      ASN   5 -12.248   5.014  21.636
   34    H    GLY   6           H        GLY   6  -9.805   7.767  16.714
   35   1HA   GLY   6          2HA       GLY   6  -7.437   8.416  15.799
   36   2HA   GLY   6          1HA       GLY   6  -7.117   6.747  16.249
   37    H    VAL   7           H        VAL   7  -8.949   8.846  14.159
   38    HA   VAL   7           HA       VAL   7  -9.041   6.775  12.120
   39    HB   VAL   7           HB       VAL   7 -11.188   6.479  13.316
   40   1HG1  VAL   7          1HG1      VAL   7 -11.833   9.264  12.451
   41   2HG1  VAL   7          2HG1      VAL   7 -11.395   8.824  14.098
   42   3HG1  VAL   7          3HG1      VAL   7 -12.867   8.177  13.365
   43   1HG2  VAL   7          1HG2      VAL   7 -11.725   7.758  10.656
   44   2HG2  VAL   7          2HG2      VAL   7 -12.559   6.395  11.402
   45   3HG2  VAL   7          3HG2      VAL   7 -10.908   6.203  10.809
   46    H    SER   8           H        SER   8  -8.899   7.611  10.094
   47    HA   SER   8           HA       SER   8  -8.955  10.562   9.847
   48   1HB   SER   8          2HB       SER   8  -6.681   9.294   9.779
   49   2HB   SER   8          1HB       SER   8  -7.183   8.824   8.155
   50    HG   SER   8           HG       SER   8  -7.041  11.497   9.105
   51    H    CYS   9           H        CYS   9 -11.301   9.499   9.324
   52    HA   CYS   9           HA       CYS   9 -11.554   9.852   6.462
   53   1HB   CYS   9          2HB       CYS   9 -11.174   7.436   6.655
   54   2HB   CYS   9          1HB       CYS   9 -12.494   7.310   7.809
   55    H    SER  10           H        SER  10 -13.267  11.102   6.087
   56    HA   SER  10           HA       SER  10 -15.214  11.502   8.227
   57   1HB   SER  10          2HB       SER  10 -13.997  13.372   6.817
   58   2HB   SER  10          1HB       SER  10 -15.277  13.036   5.653
   59    HG   SER  10           HG       SER  10 -16.297  14.440   6.874
   60    H    LYS  11           H        LYS  11 -15.466  11.366   4.675
   61    HA   LYS  11           HA       LYS  11 -17.320   9.193   4.737
   62   1HB   LYS  11          2HB       LYS  11 -19.240  10.418   3.809
   63   2HB   LYS  11          1HB       LYS  11 -18.842  10.945   5.437
   64   1HG   LYS  11          2HG       LYS  11 -17.893  12.960   4.660
   65   2HG   LYS  11          1HG       LYS  11 -17.875  12.390   2.989
   66   1HD   LYS  11          2HD       LYS  11 -20.496  12.176   3.493
   67   2HD   LYS  11          1HD       LYS  11 -20.100  13.485   4.608
   68   1HE   LYS  11          2HE       LYS  11 -19.542  13.429   1.644
   69   2HE   LYS  11          1HE       LYS  11 -20.790  14.375   2.454
   70   1HZ   LYS  11          1HZ       LYS  11 -17.906  14.816   2.342
   71   2HZ   LYS  11          2HZ       LYS  11 -18.695  15.235   3.779
   72   3HZ   LYS  11          3HZ       LYS  11 -19.175  15.936   2.316
   73    H    THR  12           H        THR  12 -18.299   8.858   2.501
   74    HA   THR  12           HA       THR  12 -18.035   8.477   0.290
   75    HB   THR  12           HB       THR  12 -16.193  10.705  -0.230
   76    HG1  THR  12          1HG       THR  12 -17.409  12.270   0.542
   77   1HG2  THR  12          1HG2      THR  12 -17.224  10.644  -2.175
   78   2HG2  THR  12          2HG2      THR  12 -18.758  11.030  -1.396
   79   3HG2  THR  12          3HG2      THR  12 -18.259   9.347  -1.579
   80    H    LYS  13           H        LYS  13 -14.853   9.859   1.206
   81    HA   LYS  13           HA       LYS  13 -13.518   7.829  -0.344
   82   1HB   LYS  13          2HB       LYS  13 -12.660  10.225   1.208
   83   2HB   LYS  13          1HB       LYS  13 -11.463   8.984   0.862
   84   1HG   LYS  13          2HG       LYS  13 -12.513   9.269  -1.584
   85   2HG   LYS  13          1HG       LYS  13 -12.805  10.889  -0.949
   86   1HD   LYS  13          2HD       LYS  13 -10.531  11.305  -0.635
   87   2HD   LYS  13          1HD       LYS  13 -10.115   9.591  -0.683
   88   1HE   LYS  13          2HE       LYS  13  -9.509   9.989  -2.802
   89   2HE   LYS  13          1HE       LYS  13 -11.239   9.975  -3.144
   90   1HZ   LYS  13          1HZ       LYS  13 -11.328  12.255  -3.245
   91   2HZ   LYS  13          2HZ       LYS  13  -9.795  11.967  -3.900
   92   3HZ   LYS  13          3HZ       LYS  13  -9.946  12.477  -2.294
   93    H    CYS  14           H        CYS  14 -14.117   5.892   0.701
   94    HA   CYS  14           HA       CYS  14 -12.287   5.060   2.703
   95   1HB   CYS  14          2HB       CYS  14 -14.789   6.084   3.641
   96   2HB   CYS  14          1HB       CYS  14 -14.717   4.358   3.961
   97    H    SER  15           H        SER  15 -12.830   4.149   0.131
   98    HA   SER  15           HA       SER  15 -13.437   1.380   0.707
   99   1HB   SER  15          2HB       SER  15 -15.092   2.863  -1.344
  100   2HB   SER  15          1HB       SER  15 -15.182   1.142  -0.984
  101    HG   SER  15           HG       SER  15 -16.626   1.727   0.422
  102    H    VAL  16           H        VAL  16 -12.224   0.071  -0.471
  103    HA   VAL  16           HA       VAL  16 -11.436   0.599  -3.159
  104    HB   VAL  16           HB       VAL  16  -9.846   2.092  -2.059
  105   1HG1  VAL  16          1HG1      VAL  16  -8.220   1.295  -0.465
  106   2HG1  VAL  16          2HG1      VAL  16  -8.872  -0.340  -0.567
  107   3HG1  VAL  16          3HG1      VAL  16  -9.846   0.958   0.130
  108   1HG2  VAL  16          1HG2      VAL  16  -8.230  -0.304  -2.837
  109   2HG2  VAL  16          2HG2      VAL  16  -7.955   1.398  -3.210
  110   3HG2  VAL  16          3HG2      VAL  16  -9.240   0.512  -4.030
  111    H    ASN  17           H        ASN  17 -11.120  -1.292  -4.145
  112    HA   ASN  17           HA       ASN  17 -10.738  -3.696  -2.479
  113   1HB   ASN  17          2HB       ASN  17 -11.883  -3.442  -5.276
  114   2HB   ASN  17          1HB       ASN  17 -11.739  -4.940  -4.359
  115   1HD2  ASN  17          1HD2      ASN  17 -13.969  -5.260  -4.478
  116   2HD2  ASN  17          2HD2      ASN  17 -15.072  -4.353  -3.505
  117    H    TRP  18           H        TRP  18  -9.008  -5.028  -2.819
  118    HA   TRP  18           HA       TRP  18  -6.915  -5.677  -3.510
  119   1HB   TRP  18          2HB       TRP  18  -8.564  -6.026  -5.612
  120   2HB   TRP  18          1HB       TRP  18  -7.461  -4.852  -6.324
  121    HD1  TRP  18           HD       TRP  18  -4.868  -5.612  -6.569
  122    HE1  TRP  18          1HE       TRP  18  -3.806  -7.950  -6.735
  123    HE3  TRP  18          3HE       TRP  18  -8.793  -8.415  -4.874
  124    HZ2  TRP  18          2HZ       TRP  18  -4.534 -10.625  -6.221
  125    HZ3  TRP  18          3HZ       TRP  18  -8.528 -10.856  -4.743
  126    HH2  TRP  18           HH       TRP  18  -6.442 -11.937  -5.403
  127    H    GLY  19           H        GLY  19  -7.204  -2.964  -2.626
  128   1HA   GLY  19          2HA       GLY  19  -5.173  -1.582  -4.290
  129   2HA   GLY  19          1HA       GLY  19  -6.369  -0.766  -3.296
  130    H    GLN  20           H        GLN  20  -6.178  -2.217  -0.943
  131    HA   GLN  20           HA       GLN  20  -3.860  -1.024   0.205
  132   1HB   GLN  20          2HB       GLN  20  -6.301  -1.955   1.155
  133   2HB   GLN  20          1HB       GLN  20  -5.126  -3.054   1.866
  134   1HG   GLN  20          2HG       GLN  20  -4.876  -1.525   3.455
  135   2HG   GLN  20          1HG       GLN  20  -3.978  -0.591   2.261
  136   1HE2  GLN  20          1HE2      GLN  20  -5.889   0.031   4.567
  137   2HE2  GLN  20          2HE2      GLN  20  -6.984   1.179   3.884
  138    H    ALA  21           H        ALA  21  -4.712  -4.261  -0.821
  139    HA   ALA  21           HA       ALA  21  -2.492  -5.592   0.361
  140   1HB   ALA  21          1HB       ALA  21  -3.171  -7.492  -0.866
  141   2HB   ALA  21          2HB       ALA  21  -4.013  -6.506  -2.062
  142   3HB   ALA  21          3HB       ALA  21  -4.651  -6.642  -0.425
  143    H    PHE  22           H        PHE  22  -3.138  -4.769  -3.056
  144    HA   PHE  22           HA       PHE  22  -0.687  -5.506  -4.086
  145   1HB   PHE  22          2HB       PHE  22  -2.673  -4.713  -5.431
  146   2HB   PHE  22          1HB       PHE  22  -2.193  -3.064  -5.033
  147    HD1  PHE  22          1HD       PHE  22  -1.185  -2.010  -6.734
  148    HD2  PHE  22          2HD       PHE  22  -0.378  -6.127  -6.142
  149    HE1  PHE  22          1HE       PHE  22   0.438  -1.939  -8.551
  150    HE2  PHE  22          2HE       PHE  22   1.252  -6.075  -7.963
  151    HZ   PHE  22           HZ       PHE  22   1.662  -3.978  -9.197
  152    H    GLN  23           H        GLN  23  -1.489  -2.534  -2.352
  153    HA   GLN  23           HA       GLN  23   0.893  -1.196  -3.219
  154   1HB   GLN  23          2HB       GLN  23  -1.135   0.040  -2.524
  155   2HB   GLN  23          1HB       GLN  23  -0.907  -0.537  -0.879
  156   1HG   GLN  23          2HG       GLN  23   1.263   0.623  -0.800
  157   2HG   GLN  23          1HG       GLN  23   0.964   1.248  -2.421
  158   1HE2  GLN  23          1HE2      GLN  23   0.266   1.539   0.927
  159   2HE2  GLN  23          2HE2      GLN  23  -0.712   2.959   0.829
  160    H    GLU  24           H        GLU  24  -0.075  -2.996  -0.356
  161    HA   GLU  24           HA       GLU  24   2.327  -2.507   1.102
  162   1HB   GLU  24          2HB       GLU  24  -0.053  -3.344   1.883
  163   2HB   GLU  24          1HB       GLU  24   0.635  -4.930   1.567
  164   1HG   GLU  24          2HG       GLU  24   1.080  -4.633   3.804
  165   2HG   GLU  24          1HG       GLU  24   2.586  -4.113   3.048
  166    H    ARG  25           H        ARG  25   1.236  -4.858  -1.212
  167    HA   ARG  25           HA       ARG  25   3.366  -6.717  -0.843
  168   1HB   ARG  25          2HB       ARG  25   0.881  -6.709  -2.068
  169   2HB   ARG  25          1HB       ARG  25   1.995  -6.760  -3.427
  170   1HG   ARG  25          2HG       ARG  25   2.860  -8.799  -2.821
  171   2HG   ARG  25          1HG       ARG  25   2.402  -8.605  -1.128
  172   1HD   ARG  25          2HD       ARG  25   0.025  -8.563  -2.666
  173   2HD   ARG  25          1HD       ARG  25   0.992  -9.928  -3.222
  174    HE   ARG  25           HE       ARG  25   0.907  -9.851  -0.392
  175   1HH1  ARG  25          1HH1      ARG  25  -1.033 -10.674  -3.175
  176   2HH1  ARG  25          2HH1      ARG  25  -1.993 -11.831  -2.317
  177   1HH2  ARG  25          1HH2      ARG  25  -0.351 -11.371   0.735
  178   2HH2  ARG  25          2HH2      ARG  25  -1.607 -12.228  -0.096
  179    H    TYR  26           H        TYR  26   2.515  -4.431  -3.428
  180    HA   TYR  26           HA       TYR  26   4.908  -4.838  -4.893
  181   1HB   TYR  26          2HB       TYR  26   3.833  -3.698  -6.492
  182   2HB   TYR  26          1HB       TYR  26   2.462  -3.867  -5.412
  183    HD1  TYR  26          1HD       TYR  26   1.347  -2.021  -4.658
  184    HD2  TYR  26          2HD       TYR  26   5.160  -1.489  -6.352
  185    HE1  TYR  26          1HE       TYR  26   0.938   0.380  -4.689
  186    HE2  TYR  26          2HE       TYR  26   4.811   0.924  -6.355
  187    HH   TYR  26           HH       TYR  26   2.448   2.466  -6.429
  188    H    THR  27           H        THR  27   3.832  -1.908  -3.094
  189    HA   THR  27           HA       THR  27   6.202  -0.492  -3.409
  190    HB   THR  27           HB       THR  27   4.591  -0.337  -0.872
  191    HG1  THR  27          1HG       THR  27   3.647   1.300  -2.788
  192   1HG2  THR  27          1HG2      THR  27   5.536   1.634  -0.563
  193   2HG2  THR  27          2HG2      THR  27   5.178   2.147  -2.211
  194   3HG2  THR  27          3HG2      THR  27   6.644   1.228  -1.872
  195    H    ALA  28           H        ALA  28   5.433  -3.085  -1.206
  196    HA   ALA  28           HA       ALA  28   7.624  -2.757   0.549
  197   1HB   ALA  28          1HB       ALA  28   5.958  -4.155   1.368
  198   2HB   ALA  28          2HB       ALA  28   7.237  -5.284   0.923
  199   3HB   ALA  28          3HB       ALA  28   5.845  -5.066  -0.138
  200    H    GLY  29           H        GLY  29   7.204  -4.703  -2.396
  201   1HA   GLY  29          2HA       GLY  29   9.900  -5.726  -2.307
  202   2HA   GLY  29          1HA       GLY  29   8.745  -5.928  -3.618
  203    H    ILE  30           H        ILE  30   8.180  -3.285  -4.226
  204    HA   ILE  30           HA       ILE  30  10.303  -2.627  -5.943
  205    HB   ILE  30           HB       ILE  30   8.012  -0.886  -5.008
  206   1HG1  ILE  30          2HG1      ILE  30   7.304  -2.986  -6.087
  207   2HG1  ILE  30          1HG1      ILE  30   6.912  -1.582  -7.072
  208   1HG2  ILE  30          1HG2      ILE  30   9.948  -0.572  -7.294
  209   2HG2  ILE  30          2HG2      ILE  30   9.682   0.532  -5.946
  210   3HG2  ILE  30          3HG2      ILE  30   8.431   0.317  -7.170
  211   1HD1  ILE  30          1HD1      ILE  30   9.412  -2.345  -7.964
  212   2HD1  ILE  30          2HD1      ILE  30   7.867  -2.654  -8.755
  213   3HD1  ILE  30          3HD1      ILE  30   8.566  -3.865  -7.682
  214    H    ASN  31           H        ASN  31   9.415  -1.482  -2.727
  215    HA   ASN  31           HA       ASN  31  11.267   0.670  -2.651
  216   1HB   ASN  31          2HB       ASN  31   9.334   0.483  -1.088
  217   2HB   ASN  31          1HB       ASN  31  10.123  -0.896  -0.316
  218   1HD2  ASN  31          1HD2      ASN  31   9.822   2.465  -0.433
  219   2HD2  ASN  31          2HD2      ASN  31  11.076   2.863   0.687
  220    H    SER  32           H        SER  32  11.375  -2.704  -1.592
  221    HA   SER  32           HA       SER  32  13.935  -2.618  -0.440
  222   1HB   SER  32          2HB       SER  32  12.227  -4.841  -1.535
  223   2HB   SER  32          1HB       SER  32  13.871  -5.165  -0.983
  224    HG   SER  32           HG       SER  32  11.697  -4.974   0.485
  225    H    PHE  33           H        PHE  33  12.861  -3.188  -3.745
  226    HA   PHE  33           HA       PHE  33  15.254  -4.106  -4.842
  227   1HB   PHE  33          2HB       PHE  33  13.941  -4.168  -6.658
  228   2HB   PHE  33          1HB       PHE  33  12.713  -3.259  -5.799
  229    HD1  PHE  33          1HD       PHE  33  11.943  -1.341  -6.796
  230    HD2  PHE  33          2HD       PHE  33  15.896  -2.630  -7.644
  231    HE1  PHE  33          1HE       PHE  33  12.190   0.495  -8.394
  232    HE2  PHE  33          2HE       PHE  33  16.150  -0.795  -9.255
  233    HZ   PHE  33           HZ       PHE  33  14.293   0.773  -9.631
  234    H    VAL  34           H        VAL  34  14.144  -0.834  -4.162
  235    HA   VAL  34           HA       VAL  34  16.216   0.625  -5.400
  236    HB   VAL  34           HB       VAL  34  14.913   1.482  -2.836
  237   1HG1  VAL  34          1HG1      VAL  34  16.730   2.821  -3.906
  238   2HG1  VAL  34          2HG1      VAL  34  15.203   3.678  -3.686
  239   3HG1  VAL  34          3HG1      VAL  34  15.652   3.069  -5.279
  240   1HG2  VAL  34          1HG2      VAL  34  13.139   2.480  -4.398
  241   2HG2  VAL  34          2HG2      VAL  34  13.030   0.763  -4.018
  242   3HG2  VAL  34          3HG2      VAL  34  13.690   1.282  -5.568
  243    H    SER  35           H        SER  35  15.850  -0.199  -1.976
  244    HA   SER  35           HA       SER  35  18.393   0.644  -1.185
  245   1HB   SER  35          2HB       SER  35  17.081  -1.731   0.095
  246   2HB   SER  35          1HB       SER  35  17.987  -0.421   0.852
  247    HG   SER  35           HG       SER  35  15.462  -0.549   0.813
  248    H    GLY  36           H        GLY  36  17.274  -2.493  -2.377
  249   1HA   GLY  36          2HA       GLY  36  19.624  -3.964  -1.994
  250   2HA   GLY  36          1HA       GLY  36  18.416  -4.293  -3.227
  251    H    VAL  37           H        VAL  37  18.602  -1.956  -4.739
  252    HA   VAL  37           HA       VAL  37  21.009  -2.511  -6.236
  253    HB   VAL  37           HB       VAL  37  20.189  -0.894  -7.852
  254   1HG1  VAL  37          1HG1      VAL  37  19.170  -2.836  -8.401
  255   2HG1  VAL  37          2HG1      VAL  37  17.726  -1.906  -7.998
  256   3HG1  VAL  37          3HG1      VAL  37  18.416  -3.024  -6.817
  257   1HG2  VAL  37          1HG2      VAL  37  18.220   0.431  -7.543
  258   2HG2  VAL  37          2HG2      VAL  37  19.294   0.734  -6.178
  259   3HG2  VAL  37          3HG2      VAL  37  17.892  -0.318  -5.982
  260    H    ALA  38           H        ALA  38  19.877  -0.147  -3.965
  261    HA   ALA  38           HA       ALA  38  21.840   1.849  -4.565
  262   1HB   ALA  38          1HB       ALA  38  20.006   2.808  -3.604
  263   2HB   ALA  38          2HB       ALA  38  21.017   2.610  -2.172
  264   3HB   ALA  38          3HB       ALA  38  19.732   1.452  -2.511
  265    H    SER  39           H        SER  39  21.727  -0.994  -2.578
  266    HA   SER  39           HA       SER  39  23.882  -0.254  -0.840
  267   1HB   SER  39          2HB       SER  39  21.976  -2.114  -0.617
  268   2HB   SER  39          1HB       SER  39  23.245  -3.127  -1.304
  269    HG   SER  39           HG       SER  39  23.156  -1.797   1.156
  270    H    GLY  40           H        GLY  40  23.593  -2.372  -3.687
  271   1HA   GLY  40          2HA       GLY  40  25.577  -2.021  -5.242
  272   2HA   GLY  40          1HA       GLY  40  26.548  -2.423  -3.836
  273    H    ALA  41           H        ALA  41  23.519  -3.932  -4.893
  274    HA   ALA  41           HA       ALA  41  23.007  -6.080  -5.465
  275   1HB   ALA  41          1HB       ALA  41  25.790  -5.858  -6.545
  276   2HB   ALA  41          2HB       ALA  41  24.258  -5.826  -7.418
  277   3HB   ALA  41          3HB       ALA  41  24.839  -7.333  -6.709
  278    H    GLY  42           H        GLY  42  24.303  -5.438  -2.851
  279   1HA   GLY  42          2HA       GLY  42  26.031  -7.422  -1.966
  280   2HA   GLY  42          1HA       GLY  42  24.873  -6.585  -0.945
  281    H    SER  43           H        SER  43  22.517  -7.409  -1.376
  282    HA   SER  43           HA       SER  43  21.013  -9.096  -1.126
  283   1HB   SER  43          2HB       SER  43  21.570  -9.785  -3.366
  284   2HB   SER  43          1HB       SER  43  23.038 -10.588  -2.808
  285    HG   SER  43           HG       SER  43  20.533 -11.545  -2.949
  286    H    ILE  44           H        ILE  44  21.929  -8.815   1.151
  287    HA   ILE  44           HA       ILE  44  23.242 -11.281   2.093
  288    HB   ILE  44           HB       ILE  44  22.877  -8.696   3.612
  289   1HG1  ILE  44          2HG1      ILE  44  25.502  -9.586   2.481
  290   2HG1  ILE  44          1HG1      ILE  44  24.359  -8.757   1.429
  291   1HG2  ILE  44          1HG2      ILE  44  23.463 -11.189   4.562
  292   2HG2  ILE  44          2HG2      ILE  44  23.907  -9.672   5.345
  293   3HG2  ILE  44          3HG2      ILE  44  25.068 -10.503   4.309
  294   1HD1  ILE  44          1HD1      ILE  44  25.195  -6.854   2.179
  295   2HD1  ILE  44          2HD1      ILE  44  26.128  -7.686   3.423
  296   3HD1  ILE  44          3HD1      ILE  44  24.458  -7.214   3.740
  297    H    GLY  45           H        GLY  45  20.563 -11.506   1.420
  298   1HA   GLY  45          2HA       GLY  45  19.206 -11.584   4.056
  299   2HA   GLY  45          1HA       GLY  45  18.374 -11.405   2.520
  300    H    ARG  46           H        ARG  46  21.022 -13.652   3.000
  301    HA   ARG  46           HA       ARG  46  19.108 -15.883   3.058
  302   1HB   ARG  46          2HB       ARG  46  21.455 -15.555   1.188
  303   2HB   ARG  46          1HB       ARG  46  20.688 -17.107   1.490
  304   1HG   ARG  46          2HG       ARG  46  19.235 -14.693   0.433
  305   2HG   ARG  46          1HG       ARG  46  19.925 -15.959  -0.581
  306   1HD   ARG  46          2HD       ARG  46  18.042 -17.110  -0.345
  307   2HD   ARG  46          1HD       ARG  46  18.395 -17.271   1.375
  308    HE   ARG  46           HE       ARG  46  17.222 -14.781   1.013
  309   1HH1  ARG  46          1HH1      ARG  46  16.347 -18.135   0.618
  310   2HH1  ARG  46          2HH1      ARG  46  14.666 -17.864   0.927
  311   1HH2  ARG  46          1HH2      ARG  46  15.007 -14.420   1.418
  312   2HH2  ARG  46          2HH2      ARG  46  13.904 -15.755   1.380
  313    H    ARG  47           H        ARG  47  20.443 -18.025   3.413
  314    HA   ARG  47           HA       ARG  47  22.679 -17.564   5.252
  315   1HB   ARG  47          2HB       ARG  47  20.277 -19.270   5.946
  316   2HB   ARG  47          1HB       ARG  47  21.728 -19.090   6.919
  317   1HG   ARG  47          2HG       ARG  47  21.200 -16.906   7.526
  318   2HG   ARG  47          1HG       ARG  47  20.043 -16.720   6.212
  319   1HD   ARG  47          2HD       ARG  47  18.657 -17.011   8.036
  320   2HD   ARG  47          1HD       ARG  47  18.770 -18.645   7.384
  321    HE   ARG  47           HE       ARG  47  20.793 -18.452   9.234
  322   1HH1  ARG  47          1HH1      ARG  47  17.320 -18.110   9.263
  323   2HH1  ARG  47          2HH1      ARG  47  17.157 -18.636  10.905
  324   1HH2  ARG  47          1HH2      ARG  47  20.581 -19.145  11.391
  325   2HH2  ARG  47          2HH2      ARG  47  19.008 -19.223  12.114
  326    HA   PRO  48           HA       PRO  48  23.077 -21.353   2.485
  327   1HB   PRO  48          2HB       PRO  48  24.910 -20.487   0.729
  328   2HB   PRO  48          1HB       PRO  48  23.187 -20.154   0.506
  329   1HG   PRO  48          2HG       PRO  48  25.334 -18.374   1.600
  330   2HG   PRO  48          1HG       PRO  48  24.039 -17.987   0.451
  331   1HD   PRO  48          2HD       PRO  48  23.918 -17.404   3.121
  332   2HD   PRO  48          1HD       PRO  48  22.491 -17.694   2.112
  Start of MODEL    8
    1    H    VAL   1           H        VAL   1  -3.780   5.829  -3.596
    2    HA   VAL   1           HA       VAL   1  -5.113   6.661  -1.673
    3    HB   VAL   1           HB       VAL   1  -3.576   5.114  -0.871
    4   1HG1  VAL   1          1HG1      VAL   1  -1.831   5.542  -2.534
    5   2HG1  VAL   1          2HG1      VAL   1  -1.399   7.068  -1.726
    6   3HG1  VAL   1          3HG1      VAL   1  -1.105   5.514  -0.910
    7   1HG2  VAL   1          1HG2      VAL   1  -4.061   6.745   0.903
    8   2HG2  VAL   1          2HG2      VAL   1  -2.384   6.167   1.050
    9   3HG2  VAL   1          3HG2      VAL   1  -2.713   7.770   0.352
   10    H    ASN   2           H        ASN   2  -4.039   8.965  -3.420
   11    HA   ASN   2           HA       ASN   2  -3.178  10.906  -1.496
   12   1HB   ASN   2          2HB       ASN   2  -4.078  11.417  -4.335
   13   2HB   ASN   2          1HB       ASN   2  -3.108  12.482  -3.322
   14   1HD2  ASN   2          1HD2      ASN   2  -3.105   9.771  -5.442
   15   2HD2  ASN   2          2HD2      ASN   2  -1.395   9.519  -5.471
   16    H    TYR   3           H        TYR   3  -5.166  10.409  -0.121
   17    HA   TYR   3           HA       TYR   3  -7.669  11.505  -1.073
   18   1HB   TYR   3          2HB       TYR   3  -6.747   9.992   1.269
   19   2HB   TYR   3          1HB       TYR   3  -7.927  11.234   1.676
   20    HD1  TYR   3          1HD       TYR   3  -9.955  11.311  -0.114
   21    HD2  TYR   3          2HD       TYR   3  -7.602   7.896   0.824
   22    HE1  TYR   3          1HE       TYR   3 -11.764   9.855  -0.914
   23    HE2  TYR   3          2HE       TYR   3  -9.407   6.430   0.031
   24    HH   TYR   3           HH       TYR   3 -11.994   7.530  -1.806
   25    H    GLY   4           H        GLY   4  -6.528  13.628  -1.570
   26   1HA   GLY   4          2HA       GLY   4  -6.575  15.368   0.837
   27   2HA   GLY   4          1HA       GLY   4  -5.413  15.576  -0.462
   28    H    ASN   5           H        ASN   5  -8.893  14.947  -0.647
   29    HA   ASN   5           HA       ASN   5 -10.595  16.121  -1.569
   30   1HB   ASN   5          2HB       ASN   5  -9.950  17.842   0.087
   31   2HB   ASN   5          1HB       ASN   5  -8.833  18.539  -1.083
   32   1HD2  ASN   5          1HD2      ASN   5  -9.575  20.022  -2.449
   33   2HD2  ASN   5          2HD2      ASN   5 -11.239  20.432  -2.674
   34    H    GLY   6           H        GLY   6  -9.005  14.860  -3.352
   35   1HA   GLY   6          2HA       GLY   6  -9.615  16.029  -5.778
   36   2HA   GLY   6          1HA       GLY   6  -7.991  16.574  -5.393
   37    H    VAL   7           H        VAL   7  -9.767  13.499  -5.125
   38    HA   VAL   7           HA       VAL   7  -7.414  12.069  -6.050
   39    HB   VAL   7           HB       VAL   7  -8.629  11.150  -4.153
   40   1HG1  VAL   7          1HG1      VAL   7 -10.944  10.981  -6.067
   41   2HG1  VAL   7          2HG1      VAL   7 -10.854  11.902  -4.569
   42   3HG1  VAL   7          3HG1      VAL   7 -10.882  10.139  -4.519
   43   1HG2  VAL   7          1HG2      VAL   7  -7.460   9.713  -5.893
   44   2HG2  VAL   7          2HG2      VAL   7  -9.070   9.307  -6.483
   45   3HG2  VAL   7          3HG2      VAL   7  -8.608   8.898  -4.832
   46    H    SER   8           H        SER   8 -10.686  12.816  -7.110
   47    HA   SER   8           HA       SER   8 -11.695  12.718  -9.151
   48   1HB   SER   8          2HB       SER   8  -9.436  13.732  -9.829
   49   2HB   SER   8          1HB       SER   8  -9.008  12.112 -10.377
   50    HG   SER   8           HG       SER   8 -10.152  13.800 -11.836
   51    H    CYS   9           H        CYS   9 -12.953  10.906  -9.041
   52    HA   CYS   9           HA       CYS   9 -11.721   8.296  -9.455
   53   1HB   CYS   9          2HB       CYS   9 -14.250   9.267  -8.279
   54   2HB   CYS   9          1HB       CYS   9 -14.368   7.745  -9.163
   55    H    SER  10           H        SER  10 -13.111   6.736 -10.835
   56    HA   SER  10           HA       SER  10 -13.967   8.117 -13.287
   57   1HB   SER  10          2HB       SER  10 -12.938   5.908 -14.362
   58   2HB   SER  10          1HB       SER  10 -11.959   7.346 -14.070
   59    HG   SER  10           HG       SER  10 -10.783   6.085 -12.883
   60    H    LYS  11           H        LYS  11 -15.524   6.915 -11.071
   61    HA   LYS  11           HA       LYS  11 -17.401   5.515 -12.705
   62   1HB   LYS  11          2HB       LYS  11 -15.479   3.875 -11.647
   63   2HB   LYS  11          1HB       LYS  11 -16.750   3.762 -10.441
   64   1HG   LYS  11          2HG       LYS  11 -18.310   2.970 -12.059
   65   2HG   LYS  11          1HG       LYS  11 -17.198   3.324 -13.384
   66   1HD   LYS  11          2HD       LYS  11 -15.739   1.586 -12.763
   67   2HD   LYS  11          1HD       LYS  11 -16.498   1.405 -11.181
   68   1HE   LYS  11          2HE       LYS  11 -18.037   0.922 -13.708
   69   2HE   LYS  11          1HE       LYS  11 -17.018  -0.334 -13.008
   70   1HZ   LYS  11          1HZ       LYS  11 -18.285  -0.170 -10.957
   71   2HZ   LYS  11          2HZ       LYS  11 -19.301  -0.535 -12.258
   72   3HZ   LYS  11          3HZ       LYS  11 -19.266   1.034 -11.631
   73    H    THR  12           H        THR  12 -19.075   4.388 -10.974
   74    HA   THR  12           HA       THR  12 -19.986   6.657  -9.408
   75    HB   THR  12           HB       THR  12 -22.094   5.507  -9.244
   76    HG1  THR  12          1HG       THR  12 -22.284   3.416  -9.496
   77   1HG2  THR  12          1HG2      THR  12 -21.809   6.545 -11.391
   78   2HG2  THR  12          2HG2      THR  12 -22.653   5.008 -11.588
   79   3HG2  THR  12          3HG2      THR  12 -20.943   5.132 -11.998
   80    H    LYS  13           H        LYS  13 -19.060   3.270  -8.929
   81    HA   LYS  13           HA       LYS  13 -19.483   3.432  -6.081
   82   1HB   LYS  13          2HB       LYS  13 -18.095   1.256  -7.654
   83   2HB   LYS  13          1HB       LYS  13 -18.691   1.140  -6.004
   84   1HG   LYS  13          2HG       LYS  13 -20.972   1.349  -6.769
   85   2HG   LYS  13          1HG       LYS  13 -20.421   1.594  -8.427
   86   1HD   LYS  13          2HD       LYS  13 -21.134  -0.682  -8.199
   87   2HD   LYS  13          1HD       LYS  13 -19.376  -0.669  -8.341
   88   1HE   LYS  13          2HE       LYS  13 -19.155  -1.676  -6.371
   89   2HE   LYS  13          1HE       LYS  13 -20.157  -0.458  -5.581
   90   1HZ   LYS  13          1HZ       LYS  13 -21.501  -2.501  -7.187
   91   2HZ   LYS  13          2HZ       LYS  13 -22.014  -1.729  -5.772
   92   3HZ   LYS  13          3HZ       LYS  13 -20.871  -2.972  -5.688
   93    H    CYS  14           H        CYS  14 -16.581   2.698  -8.026
   94    HA   CYS  14           HA       CYS  14 -14.373   3.075  -7.636
   95   1HB   CYS  14          2HB       CYS  14 -15.593   5.497  -7.510
   96   2HB   CYS  14          1HB       CYS  14 -14.823   5.437  -5.931
   97    H    SER  15           H        SER  15 -15.157   1.160  -6.057
   98    HA   SER  15           HA       SER  15 -14.772   1.694  -3.268
   99   1HB   SER  15          2HB       SER  15 -16.086  -0.256  -4.485
  100   2HB   SER  15          1HB       SER  15 -14.514  -1.059  -4.417
  101    HG   SER  15           HG       SER  15 -16.122  -1.245  -2.562
  102    H    VAL  16           H        VAL  16 -13.114  -0.768  -2.871
  103    HA   VAL  16           HA       VAL  16 -10.578  -0.246  -4.085
  104    HB   VAL  16           HB       VAL  16 -10.619   1.605  -2.467
  105   1HG1  VAL  16          1HG1      VAL  16 -10.943   1.338  -0.174
  106   2HG1  VAL  16          2HG1      VAL  16 -10.679  -0.402  -0.241
  107   3HG1  VAL  16          3HG1      VAL  16 -12.165   0.290  -0.897
  108   1HG2  VAL  16          1HG2      VAL  16  -8.486   0.442  -2.983
  109   2HG2  VAL  16          2HG2      VAL  16  -8.737  -0.577  -1.567
  110   3HG2  VAL  16          3HG2      VAL  16  -8.512   1.161  -1.374
  111    H    ASN  17           H        ASN  17 -10.063  -2.282  -4.434
  112    HA   ASN  17           HA       ASN  17 -10.213  -4.186  -2.182
  113   1HB   ASN  17          2HB       ASN  17 -10.649  -4.705  -5.137
  114   2HB   ASN  17          1HB       ASN  17 -10.491  -5.970  -3.920
  115   1HD2  ASN  17          1HD2      ASN  17 -12.609  -4.014  -5.573
  116   2HD2  ASN  17          2HD2      ASN  17 -14.007  -4.233  -4.582
  117    H    TRP  18           H        TRP  18  -8.492  -3.265  -5.153
  118    HA   TRP  18           HA       TRP  18  -6.167  -4.835  -4.245
  119   1HB   TRP  18          2HB       TRP  18  -7.204  -4.011  -6.877
  120   2HB   TRP  18          1HB       TRP  18  -5.463  -3.792  -6.699
  121    HD1  TRP  18           HD       TRP  18  -3.975  -5.988  -6.333
  122    HE1  TRP  18          1HE       TRP  18  -4.452  -8.484  -6.739
  123    HE3  TRP  18          3HE       TRP  18  -9.050  -5.765  -6.872
  124    HZ2  TRP  18          2HZ       TRP  18  -6.685 -10.138  -7.232
  125    HZ3  TRP  18          3HZ       TRP  18 -10.283  -7.848  -7.307
  126    HH2  TRP  18           HH       TRP  18  -9.124  -9.989  -7.482
  127    H    GLY  19           H        GLY  19  -6.908  -2.439  -2.892
  128   1HA   GLY  19          2HA       GLY  19  -4.884  -0.472  -3.726
  129   2HA   GLY  19          1HA       GLY  19  -6.183  -0.203  -2.571
  130    H    GLN  20           H        GLN  20  -6.027  -1.871  -0.650
  131    HA   GLN  20           HA       GLN  20  -3.679  -1.186   0.768
  132   1HB   GLN  20          2HB       GLN  20  -5.840  -1.557   1.863
  133   2HB   GLN  20          1HB       GLN  20  -5.789  -3.253   1.408
  134   1HG   GLN  20          2HG       GLN  20  -4.915  -3.585   3.425
  135   2HG   GLN  20          1HG       GLN  20  -3.423  -2.947   2.734
  136   1HE2  GLN  20          1HE2      GLN  20  -5.394  -2.729   5.303
  137   2HE2  GLN  20          2HE2      GLN  20  -5.074  -1.106   5.804
  138    H    ALA  21           H        ALA  21  -4.691  -4.091  -0.929
  139    HA   ALA  21           HA       ALA  21  -2.570  -5.755  -0.015
  140   1HB   ALA  21          1HB       ALA  21  -4.031  -6.171  -2.598
  141   2HB   ALA  21          2HB       ALA  21  -4.828  -6.424  -1.045
  142   3HB   ALA  21          3HB       ALA  21  -3.403  -7.372  -1.467
  143    H    PHE  22           H        PHE  22  -3.118  -4.471  -3.298
  144    HA   PHE  22           HA       PHE  22  -0.678  -5.153  -4.360
  145   1HB   PHE  22          2HB       PHE  22  -2.629  -4.148  -5.622
  146   2HB   PHE  22          1HB       PHE  22  -2.079  -2.570  -5.061
  147    HD1  PHE  22          1HD       PHE  22  -1.023  -1.394  -6.654
  148    HD2  PHE  22          2HD       PHE  22  -0.389  -5.586  -6.456
  149    HE1  PHE  22          1HE       PHE  22   0.628  -1.219  -8.439
  150    HE2  PHE  22          2HE       PHE  22   1.266  -5.428  -8.245
  151    HZ   PHE  22           HZ       PHE  22   1.779  -3.238  -9.264
  152    H    GLN  23           H        GLN  23  -1.378  -2.317  -2.365
  153    HA   GLN  23           HA       GLN  23   1.082  -1.020  -3.064
  154   1HB   GLN  23          2HB       GLN  23  -1.182  -0.046  -2.088
  155   2HB   GLN  23          1HB       GLN  23  -0.370  -0.321  -0.553
  156   1HG   GLN  23          2HG       GLN  23   1.135   1.340  -0.900
  157   2HG   GLN  23          1HG       GLN  23   1.150   1.113  -2.647
  158   1HE2  GLN  23          1HE2      GLN  23   1.085   3.563  -2.346
  159   2HE2  GLN  23          2HE2      GLN  23  -0.482   4.288  -2.345
  160    H    GLU  24           H        GLU  24  -0.023  -3.080  -0.447
  161    HA   GLU  24           HA       GLU  24   2.362  -2.781   1.120
  162   1HB   GLU  24          2HB       GLU  24  -0.025  -3.520   1.863
  163   2HB   GLU  24          1HB       GLU  24   0.475  -5.115   1.320
  164   1HG   GLU  24          2HG       GLU  24   1.039  -5.244   3.516
  165   2HG   GLU  24          1HG       GLU  24   2.550  -4.623   2.854
  166    H    ARG  25           H        ARG  25   1.235  -4.829  -1.433
  167    HA   ARG  25           HA       ARG  25   3.290  -6.816  -1.185
  168   1HB   ARG  25          2HB       ARG  25   0.829  -6.599  -2.481
  169   2HB   ARG  25          1HB       ARG  25   2.000  -6.623  -3.792
  170   1HG   ARG  25          2HG       ARG  25   2.994  -8.669  -2.592
  171   2HG   ARG  25          1HG       ARG  25   1.466  -8.709  -1.711
  172   1HD   ARG  25          2HD       ARG  25   0.322  -8.687  -3.970
  173   2HD   ARG  25          1HD       ARG  25   1.912  -8.984  -4.675
  174    HE   ARG  25           HE       ARG  25   1.689 -11.166  -4.075
  175   1HH1  ARG  25          1HH1      ARG  25  -0.404  -9.265  -2.028
  176   2HH1  ARG  25          2HH1      ARG  25  -1.064 -10.641  -1.212
  177   1HH2  ARG  25          1HH2      ARG  25   0.821 -12.977  -3.004
  178   2HH2  ARG  25          2HH2      ARG  25  -0.369 -12.749  -1.766
  179    H    TYR  26           H        TYR  26   2.560  -4.235  -3.522
  180    HA   TYR  26           HA       TYR  26   5.000  -4.586  -4.965
  181   1HB   TYR  26          2HB       TYR  26   3.989  -3.327  -6.510
  182   2HB   TYR  26          1HB       TYR  26   2.575  -3.544  -5.495
  183    HD1  TYR  26          1HD       TYR  26   5.338  -1.159  -6.208
  184    HD2  TYR  26          2HD       TYR  26   1.486  -1.719  -4.600
  185    HE1  TYR  26          1HE       TYR  26   5.027   1.263  -6.070
  186    HE2  TYR  26          2HE       TYR  26   1.127   0.679  -4.474
  187    HH   TYR  26           HH       TYR  26   2.643   2.727  -4.278
  188    H    THR  27           H        THR  27   3.852  -1.809  -2.957
  189    HA   THR  27           HA       THR  27   6.246  -0.383  -3.055
  190    HB   THR  27           HB       THR  27   4.535  -0.384  -0.590
  191    HG1  THR  27          1HG       THR  27   2.887   0.251  -1.686
  192   1HG2  THR  27          1HG2      THR  27   5.338   2.100  -1.948
  193   2HG2  THR  27          2HG2      THR  27   6.626   1.169  -1.184
  194   3HG2  THR  27          3HG2      THR  27   5.247   1.715  -0.229
  195    H    ALA  28           H        ALA  28   5.530  -3.288  -1.363
  196    HA   ALA  28           HA       ALA  28   7.637  -2.958   0.578
  197   1HB   ALA  28          1HB       ALA  28   5.871  -5.267  -0.198
  198   2HB   ALA  28          2HB       ALA  28   5.866  -4.336   1.299
  199   3HB   ALA  28          3HB       ALA  28   7.192  -5.448   0.955
  200    H    GLY  29           H        GLY  29   7.147  -4.895  -2.366
  201   1HA   GLY  29          2HA       GLY  29   9.813  -5.950  -2.370
  202   2HA   GLY  29          1HA       GLY  29   8.647  -6.058  -3.683
  203    H    ILE  30           H        ILE  30   8.170  -3.393  -4.212
  204    HA   ILE  30           HA       ILE  30  10.315  -2.735  -5.888
  205    HB   ILE  30           HB       ILE  30   8.118  -0.914  -4.879
  206   1HG1  ILE  30          2HG1      ILE  30   7.241  -2.906  -6.005
  207   2HG1  ILE  30          1HG1      ILE  30   6.995  -1.473  -6.996
  208   1HG2  ILE  30          1HG2      ILE  30   9.568   0.594  -5.807
  209   2HG2  ILE  30          2HG2      ILE  30   8.657   0.121  -7.241
  210   3HG2  ILE  30          3HG2      ILE  30  10.245  -0.582  -6.935
  211   1HD1  ILE  30          1HD1      ILE  30   9.378  -2.345  -7.931
  212   2HD1  ILE  30          2HD1      ILE  30   7.811  -2.751  -8.631
  213   3HD1  ILE  30          3HD1      ILE  30   8.592  -3.866  -7.509
  214    H    ASN  31           H        ASN  31   9.369  -1.409  -2.711
  215    HA   ASN  31           HA       ASN  31  11.382   0.549  -2.581
  216   1HB   ASN  31          2HB       ASN  31   9.375   0.355  -1.047
  217   2HB   ASN  31          1HB       ASN  31  10.251  -0.918  -0.191
  218   1HD2  ASN  31          1HD2      ASN  31   9.910   2.449  -0.732
  219   2HD2  ASN  31          2HD2      ASN  31  11.105   2.981   0.397
  220    H    SER  32           H        SER  32  11.378  -2.873  -1.727
  221    HA   SER  32           HA       SER  32  13.912  -2.848  -0.444
  222   1HB   SER  32          2HB       SER  32  12.614  -4.703   0.127
  223   2HB   SER  32          1HB       SER  32  12.137  -5.006  -1.545
  224    HG   SER  32           HG       SER  32  13.752  -6.328  -1.645
  225    H    PHE  33           H        PHE  33  12.864  -3.417  -3.763
  226    HA   PHE  33           HA       PHE  33  15.293  -4.346  -4.824
  227   1HB   PHE  33          2HB       PHE  33  13.841  -4.548  -6.540
  228   2HB   PHE  33          1HB       PHE  33  12.747  -3.359  -5.846
  229    HD1  PHE  33          1HD       PHE  33  12.919  -0.999  -6.463
  230    HD2  PHE  33          2HD       PHE  33  15.444  -3.927  -8.235
  231    HE1  PHE  33          1HE       PHE  33  13.532   0.605  -8.210
  232    HE2  PHE  33          2HE       PHE  33  16.058  -2.323 -10.000
  233    HZ   PHE  33           HZ       PHE  33  15.101  -0.055  -9.989
  234    H    VAL  34           H        VAL  34  14.129  -1.117  -4.120
  235    HA   VAL  34           HA       VAL  34  16.150   0.299  -5.519
  236    HB   VAL  34           HB       VAL  34  14.735   1.411  -3.129
  237   1HG1  VAL  34          1HG1      VAL  34  16.528   2.626  -4.476
  238   2HG1  VAL  34          2HG1      VAL  34  15.006   3.472  -4.193
  239   3HG1  VAL  34          3HG1      VAL  34  15.322   2.721  -5.757
  240   1HG2  VAL  34          1HG2      VAL  34  13.559   0.512  -5.685
  241   2HG2  VAL  34          2HG2      VAL  34  13.061   2.097  -5.107
  242   3HG2  VAL  34          3HG2      VAL  34  12.820   0.677  -4.093
  243    H    SER  35           H        SER  35  15.690  -0.084  -2.029
  244    HA   SER  35           HA       SER  35  18.036   0.992  -1.129
  245   1HB   SER  35          2HB       SER  35  16.652  -1.468  -0.047
  246   2HB   SER  35          1HB       SER  35  17.825  -0.487   0.833
  247    HG   SER  35           HG       SER  35  15.607   0.042   1.292
  248    H    GLY  36           H        GLY  36  17.553  -2.477  -1.809
  249   1HA   GLY  36          2HA       GLY  36  20.207  -3.277  -1.432
  250   2HA   GLY  36          1HA       GLY  36  19.038  -4.117  -2.440
  251    H    VAL  37           H        VAL  37  18.555  -2.356  -4.436
  252    HA   VAL  37           HA       VAL  37  20.825  -2.673  -6.101
  253    HB   VAL  37           HB       VAL  37  18.250  -1.138  -6.466
  254   1HG1  VAL  37          1HG1      VAL  37  20.411  -1.612  -8.515
  255   2HG1  VAL  37          2HG1      VAL  37  19.960  -0.055  -7.822
  256   3HG1  VAL  37          3HG1      VAL  37  18.817  -0.933  -8.837
  257   1HG2  VAL  37          1HG2      VAL  37  18.278  -3.676  -6.364
  258   2HG2  VAL  37          2HG2      VAL  37  19.172  -3.622  -7.882
  259   3HG2  VAL  37          3HG2      VAL  37  17.543  -2.947  -7.795
  260    H    ALA  38           H        ALA  38  19.807  -0.176  -3.943
  261    HA   ALA  38           HA       ALA  38  21.290   1.949  -5.187
  262   1HB   ALA  38          1HB       ALA  38  19.415   2.625  -3.944
  263   2HB   ALA  38          2HB       ALA  38  20.808   3.104  -2.975
  264   3HB   ALA  38          3HB       ALA  38  19.890   1.660  -2.547
  265    H    SER  39           H        SER  39  21.970  -0.545  -2.865
  266    HA   SER  39           HA       SER  39  24.255   0.701  -1.695
  267   1HB   SER  39          2HB       SER  39  23.111  -1.026  -0.459
  268   2HB   SER  39          1HB       SER  39  23.364  -2.190  -1.759
  269    HG   SER  39           HG       SER  39  25.371  -0.975  -0.160
  270    H    GLY  40           H        GLY  40  23.738  -1.429  -4.441
  271   1HA   GLY  40          2HA       GLY  40  25.418  -1.034  -6.257
  272   2HA   GLY  40          1HA       GLY  40  26.641  -1.283  -5.022
  273    H    ALA  41           H        ALA  41  23.661  -3.016  -5.930
  274    HA   ALA  41           HA       ALA  41  25.092  -5.551  -5.711
  275   1HB   ALA  41          1HB       ALA  41  23.001  -6.592  -5.611
  276   2HB   ALA  41          2HB       ALA  41  22.186  -5.235  -6.388
  277   3HB   ALA  41          3HB       ALA  41  22.773  -5.080  -4.733
  278    H    GLY  42           H        GLY  42  23.601  -3.490  -8.117
  279   1HA   GLY  42          2HA       GLY  42  25.005  -4.779 -10.248
  280   2HA   GLY  42          1HA       GLY  42  23.292  -5.178 -10.267
  281    H    SER  43           H        SER  43  21.896  -3.090  -9.851
  282    HA   SER  43           HA       SER  43  21.039  -1.234 -10.843
  283   1HB   SER  43          2HB       SER  43  22.783   0.679 -11.062
  284   2HB   SER  43          1HB       SER  43  22.405   0.057  -9.457
  285    HG   SER  43           HG       SER  43  24.584   0.083  -9.542
  286    H    ILE  44           H        ILE  44  21.106  -2.953 -12.743
  287    HA   ILE  44           HA       ILE  44  21.615  -1.441 -15.101
  288    HB   ILE  44           HB       ILE  44  23.906  -2.224 -14.695
  289   1HG1  ILE  44          2HG1      ILE  44  23.113  -3.915 -16.994
  290   2HG1  ILE  44          1HG1      ILE  44  22.573  -2.240 -17.047
  291   1HG2  ILE  44          1HG2      ILE  44  24.001  -4.879 -15.261
  292   2HG2  ILE  44          2HG2      ILE  44  22.532  -4.782 -14.289
  293   3HG2  ILE  44          3HG2      ILE  44  24.061  -4.194 -13.637
  294   1HD1  ILE  44          1HD1      ILE  44  25.415  -3.183 -16.756
  295   2HD1  ILE  44          2HD1      ILE  44  24.890  -1.500 -16.764
  296   3HD1  ILE  44          3HD1      ILE  44  24.678  -2.497 -18.204
  297    H    GLY  45           H        GLY  45  19.268  -2.207 -14.514
  298   1HA   GLY  45          2HA       GLY  45  18.737  -4.655 -16.106
  299   2HA   GLY  45          1HA       GLY  45  17.826  -4.258 -14.654
  300    H    ARG  46           H        ARG  46  17.589  -1.471 -15.107
  301    HA   ARG  46           HA       ARG  46  16.600  -0.760 -17.613
  302   1HB   ARG  46          2HB       ARG  46  14.901  -2.521 -17.113
  303   2HB   ARG  46          1HB       ARG  46  14.407  -1.592 -15.705
  304   1HG   ARG  46          2HG       ARG  46  13.197  -0.163 -16.923
  305   2HG   ARG  46          1HG       ARG  46  14.422  -0.052 -18.189
  306   1HD   ARG  46          2HD       ARG  46  12.650  -2.459 -17.858
  307   2HD   ARG  46          1HD       ARG  46  12.181  -1.068 -18.835
  308    HE   ARG  46           HE       ARG  46  14.020  -3.119 -19.551
  309   1HH1  ARG  46          1HH1      ARG  46  13.351   0.282 -19.959
  310   2HH1  ARG  46          2HH1      ARG  46  14.173   0.389 -21.479
  311   1HH2  ARG  46          1HH2      ARG  46  15.096  -2.980 -21.552
  312   2HH2  ARG  46          2HH2      ARG  46  15.163  -1.462 -22.384
  313    H    ARG  47           H        ARG  47  17.424   1.228 -17.229
  314    HA   ARG  47           HA       ARG  47  17.170   2.643 -14.814
  315   1HB   ARG  47          2HB       ARG  47  18.034   3.310 -17.580
  316   2HB   ARG  47          1HB       ARG  47  17.632   4.647 -16.512
  317   1HG   ARG  47          2HG       ARG  47  19.271   3.862 -14.891
  318   2HG   ARG  47          1HG       ARG  47  19.660   2.495 -15.940
  319   1HD   ARG  47          2HD       ARG  47  21.324   4.203 -16.243
  320   2HD   ARG  47          1HD       ARG  47  20.338   4.102 -17.700
  321    HE   ARG  47           HE       ARG  47  19.687   6.257 -17.347
  322   1HH1  ARG  47          1HH1      ARG  47  20.907   4.979 -14.337
  323   2HH1  ARG  47          2HH1      ARG  47  20.809   6.495 -13.509
  324   1HH2  ARG  47          1HH2      ARG  47  19.560   8.252 -16.260
  325   2HH2  ARG  47          2HH2      ARG  47  20.044   8.354 -14.600
  326    HA   PRO  48           HA       PRO  48  13.611   5.060 -17.287
  327   1HB   PRO  48          2HB       PRO  48  12.544   2.604 -18.596
  328   2HB   PRO  48          1HB       PRO  48  12.558   4.271 -19.180
  329   1HG   PRO  48          2HG       PRO  48  14.266   2.478 -20.155
  330   2HG   PRO  48          1HG       PRO  48  14.769   4.154 -19.866
  331   1HD   PRO  48          2HD       PRO  48  15.381   1.695 -18.301
  332   2HD   PRO  48          1HD       PRO  48  16.382   3.130 -18.590
  Start of MODEL    9
    1    H    VAL   1           H        VAL   1 -28.088   7.032  -4.856
    2    HA   VAL   1           HA       VAL   1 -25.714   7.731  -5.077
    3    HB   VAL   1           HB       VAL   1 -25.203   6.459  -7.003
    4   1HG1  VAL   1          1HG1      VAL   1 -26.296   4.992  -5.501
    5   2HG1  VAL   1          2HG1      VAL   1 -27.890   5.721  -5.809
    6   3HG1  VAL   1          3HG1      VAL   1 -27.122   4.702  -7.050
    7   1HG2  VAL   1          1HG2      VAL   1 -27.767   7.658  -8.027
    8   2HG2  VAL   1          2HG2      VAL   1 -26.184   7.513  -8.828
    9   3HG2  VAL   1          3HG2      VAL   1 -27.240   6.088  -8.681
   10    H    ASN   2           H        ASN   2 -26.999  10.209  -5.130
   11    HA   ASN   2           HA       ASN   2 -26.508  11.527  -7.636
   12   1HB   ASN   2          2HB       ASN   2 -28.240  12.094  -5.768
   13   2HB   ASN   2          1HB       ASN   2 -26.907  13.003  -5.054
   14   1HD2  ASN   2          1HD2      ASN   2 -28.822  12.609  -7.988
   15   2HD2  ASN   2          2HD2      ASN   2 -28.646  14.239  -8.533
   16    H    TYR   3           H        TYR   3 -24.124  10.740  -7.603
   17    HA   TYR   3           HA       TYR   3 -22.384  12.276  -5.881
   18   1HB   TYR   3          2HB       TYR   3 -22.018  10.102  -7.867
   19   2HB   TYR   3          1HB       TYR   3 -20.643  11.167  -7.577
   20    HD1  TYR   3          1HD       TYR   3 -23.262   9.600  -5.416
   21    HD2  TYR   3          2HD       TYR   3 -19.119  10.239  -6.105
   22    HE1  TYR   3          1HE       TYR   3 -22.744   8.370  -3.364
   23    HE2  TYR   3          2HE       TYR   3 -18.585   8.997  -4.055
   24    HH   TYR   3           HH       TYR   3 -20.360   8.530  -1.691
   25    H    GLY   4           H        GLY   4 -23.363  12.384  -9.274
   26   1HA   GLY   4          2HA       GLY   4 -21.488  14.089 -10.334
   27   2HA   GLY   4          1HA       GLY   4 -23.171  14.070 -10.832
   28    H    ASN   5           H        ASN   5 -21.292  16.308 -10.656
   29    HA   ASN   5           HA       ASN   5 -21.188  18.476 -10.003
   30   1HB   ASN   5          2HB       ASN   5 -24.087  17.798  -9.885
   31   2HB   ASN   5          1HB       ASN   5 -23.577  19.347  -9.227
   32   1HD2  ASN   5          1HD2      ASN   5 -22.672  17.416 -12.073
   33   2HD2  ASN   5          2HD2      ASN   5 -22.903  18.690 -13.217
   34    H    GLY   6           H        GLY   6 -19.898  17.473  -8.118
   35   1HA   GLY   6          2HA       GLY   6 -20.038  18.917  -5.879
   36   2HA   GLY   6          1HA       GLY   6 -21.262  17.708  -5.544
   37    H    VAL   7           H        VAL   7 -19.597  15.683  -7.050
   38    HA   VAL   7           HA       VAL   7 -17.228  15.395  -5.385
   39    HB   VAL   7           HB       VAL   7 -17.876  12.976  -4.882
   40   1HG1  VAL   7          1HG1      VAL   7 -17.822  14.974  -3.268
   41   2HG1  VAL   7          2HG1      VAL   7 -18.660  13.504  -2.769
   42   3HG1  VAL   7          3HG1      VAL   7 -19.581  14.891  -3.346
   43   1HG2  VAL   7          1HG2      VAL   7 -19.763  12.582  -6.181
   44   2HG2  VAL   7          2HG2      VAL   7 -20.542  14.080  -5.685
   45   3HG2  VAL   7          3HG2      VAL   7 -20.403  12.742  -4.548
   46    H    SER   8           H        SER   8 -15.946  15.369  -7.130
   47    HA   SER   8           HA       SER   8 -16.035  12.994  -8.817
   48   1HB   SER   8          2HB       SER   8 -15.894  15.764 -10.039
   49   2HB   SER   8          1HB       SER   8 -15.949  14.223 -10.894
   50    HG   SER   8           HG       SER   8 -17.998  15.191 -10.858
   51    H    CYS   9           H        CYS   9 -14.072  12.178  -8.549
   52    HA   CYS   9           HA       CYS   9 -11.772  14.022  -8.524
   53   1HB   CYS   9          2HB       CYS   9 -10.632  12.431  -7.050
   54   2HB   CYS   9          1HB       CYS   9 -12.152  12.960  -6.338
   55    H    SER  10           H        SER  10  -9.680  12.651  -9.021
   56    HA   SER  10           HA       SER  10  -9.783  11.917 -11.701
   57   1HB   SER  10          2HB       SER  10  -7.780  11.616  -9.519
   58   2HB   SER  10          1HB       SER  10  -7.530  10.681 -10.994
   59    HG   SER  10           HG       SER  10  -7.422  12.551 -12.160
   60    H    LYS  11           H        LYS  11 -10.480  10.079  -8.879
   61    HA   LYS  11           HA       LYS  11 -11.514   8.053  -8.666
   62   1HB   LYS  11          2HB       LYS  11 -12.076   8.482 -11.258
   63   2HB   LYS  11          1HB       LYS  11 -10.974   7.122 -11.430
   64   1HG   LYS  11          2HG       LYS  11 -12.850   6.598  -9.332
   65   2HG   LYS  11          1HG       LYS  11 -13.706   7.054 -10.805
   66   1HD   LYS  11          2HD       LYS  11 -12.799   5.273 -12.019
   67   2HD   LYS  11          1HD       LYS  11 -11.494   5.026 -10.856
   68   1HE   LYS  11          2HE       LYS  11 -14.170   4.726  -9.712
   69   2HE   LYS  11          1HE       LYS  11 -13.810   3.565 -10.989
   70   1HZ   LYS  11          1HZ       LYS  11 -12.648   3.827  -8.336
   71   2HZ   LYS  11          2HZ       LYS  11 -11.570   3.427  -9.578
   72   3HZ   LYS  11          3HZ       LYS  11 -12.911   2.442  -9.273
   73    H    THR  12           H        THR  12  -8.383   8.690  -9.418
   74    HA   THR  12           HA       THR  12  -7.507   5.931  -9.410
   75    HB   THR  12           HB       THR  12  -6.329   7.510 -10.876
   76    HG1  THR  12          1HG       THR  12  -4.994   5.931 -10.274
   77   1HG2  THR  12          1HG2      THR  12  -5.161   8.861  -8.475
   78   2HG2  THR  12          2HG2      THR  12  -6.573   9.501  -9.318
   79   3HG2  THR  12          3HG2      THR  12  -5.043   9.314 -10.174
   80    H    LYS  13           H        LYS  13  -6.766   8.816  -7.433
   81    HA   LYS  13           HA       LYS  13  -5.914   7.158  -5.239
   82   1HB   LYS  13          2HB       LYS  13  -5.375   9.252  -4.124
   83   2HB   LYS  13          1HB       LYS  13  -4.719   9.226  -5.754
   84   1HG   LYS  13          2HG       LYS  13  -7.371  10.403  -5.635
   85   2HG   LYS  13          1HG       LYS  13  -6.201  11.241  -4.614
   86   1HD   LYS  13          2HD       LYS  13  -5.474  10.515  -7.422
   87   2HD   LYS  13          1HD       LYS  13  -6.480  11.933  -7.115
   88   1HE   LYS  13          2HE       LYS  13  -4.531  13.013  -6.882
   89   2HE   LYS  13          1HE       LYS  13  -4.485  12.262  -5.287
   90   1HZ   LYS  13          1HZ       LYS  13  -3.409  10.329  -6.731
   91   2HZ   LYS  13          2HZ       LYS  13  -2.488  11.571  -6.046
   92   3HZ   LYS  13          3HZ       LYS  13  -2.935  11.651  -7.675
   93    H    CYS  14           H        CYS  14  -8.906   7.389  -6.134
   94    HA   CYS  14           HA       CYS  14  -9.988   8.299  -3.556
   95   1HB   CYS  14          2HB       CYS  14 -11.168   8.012  -6.286
   96   2HB   CYS  14          1HB       CYS  14 -12.224   7.924  -4.881
   97    H    SER  15           H        SER  15 -11.041   7.013  -2.164
   98    HA   SER  15           HA       SER  15 -11.722   5.124  -1.099
   99   1HB   SER  15          2HB       SER  15 -13.103   5.082  -3.409
  100   2HB   SER  15          1HB       SER  15 -12.172   3.598  -3.606
  101    HG   SER  15           HG       SER  15 -14.331   4.013  -2.097
  102    H    VAL  16           H        VAL  16 -11.347   2.508  -1.300
  103    HA   VAL  16           HA       VAL  16  -8.805   1.801  -2.441
  104    HB   VAL  16           HB       VAL  16  -8.972   1.781   0.575
  105   1HG1  VAL  16          1HG1      VAL  16  -7.602   0.040  -0.607
  106   2HG1  VAL  16          2HG1      VAL  16  -6.699   1.064   0.511
  107   3HG1  VAL  16          3HG1      VAL  16  -6.597   1.349  -1.227
  108   1HG2  VAL  16          1HG2      VAL  16  -7.460   3.677  -1.222
  109   2HG2  VAL  16          2HG2      VAL  16  -7.269   3.563   0.527
  110   3HG2  VAL  16          3HG2      VAL  16  -8.805   4.089  -0.160
  111    H    ASN  17           H        ASN  17  -9.247  -0.124  -3.186
  112    HA   ASN  17           HA       ASN  17 -10.526  -2.104  -1.425
  113   1HB   ASN  17          2HB       ASN  17 -11.830  -1.102  -3.573
  114   2HB   ASN  17          1HB       ASN  17 -10.922  -2.389  -4.361
  115   1HD2  ASN  17          1HD2      ASN  17 -13.134  -3.128  -4.780
  116   2HD2  ASN  17          2HD2      ASN  17 -13.898  -4.136  -3.604
  117    H    TRP  18           H        TRP  18  -8.591  -1.597  -4.335
  118    HA   TRP  18           HA       TRP  18  -7.005  -4.006  -3.638
  119   1HB   TRP  18          2HB       TRP  18  -8.228  -3.187  -6.151
  120   2HB   TRP  18          1HB       TRP  18  -6.479  -3.342  -6.330
  121    HD1  TRP  18           HD       TRP  18  -5.470  -5.801  -5.368
  122    HE1  TRP  18          1HE       TRP  18  -6.509  -8.143  -5.608
  123    HE3  TRP  18          3HE       TRP  18 -10.279  -4.450  -6.447
  124    HZ2  TRP  18          2HZ       TRP  18  -9.030  -9.269  -6.189
  125    HZ3  TRP  18          3HZ       TRP  18 -11.944  -6.219  -6.831
  126    HH2  TRP  18           HH       TRP  18 -11.331  -8.579  -6.705
  127    H    GLY  19           H        GLY  19  -6.709  -1.318  -2.613
  128   1HA   GLY  19          2HA       GLY  19  -4.207  -0.409  -3.905
  129   2HA   GLY  19          1HA       GLY  19  -5.211   0.547  -2.819
  130    H    GLN  20           H        GLN  20  -5.590  -1.248  -0.740
  131    HA   GLN  20           HA       GLN  20  -3.185  -0.893   0.703
  132   1HB   GLN  20          2HB       GLN  20  -5.663  -1.154   1.517
  133   2HB   GLN  20          1HB       GLN  20  -5.280  -2.869   1.547
  134   1HG   GLN  20          2HG       GLN  20  -3.192  -1.992   2.927
  135   2HG   GLN  20          1HG       GLN  20  -4.304  -0.666   3.272
  136   1HE2  GLN  20          1HE2      GLN  20  -6.575  -1.472   3.876
  137   2HE2  GLN  20          2HE2      GLN  20  -6.629  -2.758   5.028
  138    H    ALA  21           H        ALA  21  -4.678  -3.727  -0.795
  139    HA   ALA  21           HA       ALA  21  -2.723  -5.609   0.025
  140   1HB   ALA  21          1HB       ALA  21  -5.068  -6.051  -0.891
  141   2HB   ALA  21          2HB       ALA  21  -3.775  -7.115  -1.442
  142   3HB   ALA  21          3HB       ALA  21  -4.358  -5.822  -2.489
  143    H    PHE  22           H        PHE  22  -3.243  -4.434  -3.298
  144    HA   PHE  22           HA       PHE  22  -0.863  -5.311  -4.343
  145   1HB   PHE  22          2HB       PHE  22  -2.728  -4.291  -5.683
  146   2HB   PHE  22          1HB       PHE  22  -2.168  -2.706  -5.150
  147    HD1  PHE  22          1HD       PHE  22  -0.355  -5.733  -6.357
  148    HD2  PHE  22          2HD       PHE  22  -1.220  -1.613  -6.888
  149    HE1  PHE  22          1HE       PHE  22   1.293  -5.621  -8.154
  150    HE2  PHE  22          2HE       PHE  22   0.415  -1.492  -8.689
  151    HZ   PHE  22           HZ       PHE  22   1.682  -3.499  -9.349
  152    H    GLN  23           H        GLN  23  -1.382  -2.376  -2.440
  153    HA   GLN  23           HA       GLN  23   1.125  -1.213  -3.200
  154   1HB   GLN  23          2HB       GLN  23  -0.783   0.166  -2.391
  155   2HB   GLN  23          1HB       GLN  23  -0.600  -0.554  -0.798
  156   1HG   GLN  23          2HG       GLN  23   1.800   0.329  -0.875
  157   2HG   GLN  23          1HG       GLN  23   1.253   1.318  -2.227
  158   1HE2  GLN  23          1HE2      GLN  23   0.006   3.085  -1.844
  159   2HE2  GLN  23          2HE2      GLN  23  -0.406   3.649  -0.263
  160    H    GLU  24           H        GLU  24  -0.052  -2.896  -0.309
  161    HA   GLU  24           HA       GLU  24   2.393  -2.801   1.105
  162   1HB   GLU  24          2HB       GLU  24  -0.030  -3.423   1.899
  163   2HB   GLU  24          1HB       GLU  24   0.440  -5.054   1.439
  164   1HG   GLU  24          2HG       GLU  24   2.398  -3.667   3.102
  165   2HG   GLU  24          1HG       GLU  24   0.838  -3.922   3.881
  166    H    ARG  25           H        ARG  25   1.145  -4.803  -1.401
  167    HA   ARG  25           HA       ARG  25   3.071  -6.917  -1.116
  168   1HB   ARG  25          2HB       ARG  25   0.640  -6.418  -2.565
  169   2HB   ARG  25          1HB       ARG  25   1.879  -6.941  -3.696
  170   1HG   ARG  25          2HG       ARG  25   1.030  -8.411  -1.204
  171   2HG   ARG  25          1HG       ARG  25   0.581  -8.825  -2.860
  172   1HD   ARG  25          2HD       ARG  25   2.836  -9.365  -3.415
  173   2HD   ARG  25          1HD       ARG  25   3.432  -8.707  -1.892
  174    HE   ARG  25           HE       ARG  25   2.376 -11.322  -2.338
  175   1HH1  ARG  25          1HH1      ARG  25   2.694  -8.799   0.053
  176   2HH1  ARG  25          2HH1      ARG  25   2.579  -9.885   1.397
  177   1HH2  ARG  25          1HH2      ARG  25   2.227 -12.752  -0.569
  178   2HH2  ARG  25          2HH2      ARG  25   2.315 -12.127   1.044
  179    H    TYR  26           H        TYR  26   2.470  -4.348  -3.516
  180    HA   TYR  26           HA       TYR  26   4.932  -4.861  -4.918
  181   1HB   TYR  26          2HB       TYR  26   4.047  -3.592  -6.537
  182   2HB   TYR  26          1HB       TYR  26   2.572  -3.815  -5.618
  183    HD1  TYR  26          1HD       TYR  26   1.418  -1.991  -4.788
  184    HD2  TYR  26          2HD       TYR  26   5.331  -1.382  -6.193
  185    HE1  TYR  26          1HE       TYR  26   0.987   0.392  -4.741
  186    HE2  TYR  26          2HE       TYR  26   4.967   1.038  -6.111
  187    HH   TYR  26           HH       TYR  26   2.774   2.538  -4.474
  188    H    THR  27           H        THR  27   3.775  -1.998  -3.062
  189    HA   THR  27           HA       THR  27   6.146  -0.569  -3.147
  190    HB   THR  27           HB       THR  27   4.439  -0.566  -0.682
  191    HG1  THR  27          1HG       THR  27   3.560   1.076  -2.687
  192   1HG2  THR  27          1HG2      THR  27   5.071   1.585  -0.387
  193   2HG2  THR  27          2HG2      THR  27   5.221   1.898  -2.116
  194   3HG2  THR  27          3HG2      THR  27   6.489   1.012  -1.267
  195    H    ALA  28           H        ALA  28   5.407  -3.427  -1.357
  196    HA   ALA  28           HA       ALA  28   7.496  -3.099   0.578
  197   1HB   ALA  28          1HB       ALA  28   7.108  -5.656   0.820
  198   2HB   ALA  28          2HB       ALA  28   5.722  -5.371  -0.231
  199   3HB   ALA  28          3HB       ALA  28   5.837  -4.541   1.321
  200    H    GLY  29           H        GLY  29   7.121  -5.132  -2.336
  201   1HA   GLY  29          2HA       GLY  29   9.820  -6.068  -2.274
  202   2HA   GLY  29          1HA       GLY  29   8.700  -6.217  -3.621
  203    H    ILE  30           H        ILE  30   8.173  -3.512  -4.097
  204    HA   ILE  30           HA       ILE  30  10.310  -2.829  -5.780
  205    HB   ILE  30           HB       ILE  30   8.064  -1.080  -4.760
  206   1HG1  ILE  30          2HG1      ILE  30   7.310  -3.084  -5.974
  207   2HG1  ILE  30          1HG1      ILE  30   6.987  -1.616  -6.891
  208   1HG2  ILE  30          1HG2      ILE  30   9.922  -0.664  -7.100
  209   2HG2  ILE  30          2HG2      ILE  30   9.892   0.280  -5.611
  210   3HG2  ILE  30          3HG2      ILE  30   8.518   0.330  -6.714
  211   1HD1  ILE  30          1HD1      ILE  30   9.500  -2.451  -7.734
  212   2HD1  ILE  30          2HD1      ILE  30   7.976  -2.576  -8.613
  213   3HD1  ILE  30          3HD1      ILE  30   8.533  -3.921  -7.617
  214    H    ASN  31           H        ASN  31   9.340  -1.479  -2.618
  215    HA   ASN  31           HA       ASN  31  11.261   0.537  -2.481
  216   1HB   ASN  31          2HB       ASN  31   9.324   0.205  -0.892
  217   2HB   ASN  31          1HB       ASN  31  10.276  -1.058  -0.105
  218   1HD2  ASN  31          1HD2      ASN  31   9.621   2.245  -0.318
  219   2HD2  ASN  31          2HD2      ASN  31  10.870   2.813   0.732
  220    H    SER  32           H        SER  32  11.439  -2.831  -1.349
  221    HA   SER  32           HA       SER  32  14.040  -2.675  -0.314
  222   1HB   SER  32          2HB       SER  32  12.501  -4.548   0.167
  223   2HB   SER  32          1HB       SER  32  12.658  -5.098  -1.502
  224    HG   SER  32           HG       SER  32  14.872  -4.795   0.238
  225    H    PHE  33           H        PHE  33  12.878  -3.290  -3.578
  226    HA   PHE  33           HA       PHE  33  15.266  -4.189  -4.720
  227   1HB   PHE  33          2HB       PHE  33  13.886  -4.356  -6.472
  228   2HB   PHE  33          1HB       PHE  33  12.672  -3.422  -5.617
  229    HD1  PHE  33          1HD       PHE  33  11.912  -1.452  -6.582
  230    HD2  PHE  33          2HD       PHE  33  15.736  -2.941  -7.687
  231    HE1  PHE  33          1HE       PHE  33  12.104   0.304  -8.271
  232    HE2  PHE  33          2HE       PHE  33  15.928  -1.183  -9.388
  233    HZ   PHE  33           HZ       PHE  33  14.108   0.442  -9.681
  234    H    VAL  34           H        VAL  34  14.094  -0.933  -4.070
  235    HA   VAL  34           HA       VAL  34  16.078   0.530  -5.444
  236    HB   VAL  34           HB       VAL  34  14.849   1.498  -2.890
  237   1HG1  VAL  34          1HG1      VAL  34  15.181   3.611  -3.741
  238   2HG1  VAL  34          2HG1      VAL  34  15.187   3.052  -5.414
  239   3HG1  VAL  34          3HG1      VAL  34  16.578   2.740  -4.374
  240   1HG2  VAL  34          1HG2      VAL  34  12.902   0.717  -3.845
  241   2HG2  VAL  34          2HG2      VAL  34  13.489   0.949  -5.490
  242   3HG2  VAL  34          3HG2      VAL  34  12.993   2.341  -4.530
  243    H    SER  35           H        SER  35  15.855  -0.034  -1.947
  244    HA   SER  35           HA       SER  35  18.389   0.917  -1.316
  245   1HB   SER  35          2HB       SER  35  16.918  -1.333   0.063
  246   2HB   SER  35          1HB       SER  35  18.203  -0.347   0.759
  247    HG   SER  35           HG       SER  35  15.830   0.194   1.141
  248    H    GLY  36           H        GLY  36  17.386  -2.299  -2.367
  249   1HA   GLY  36          2HA       GLY  36  19.828  -3.632  -1.927
  250   2HA   GLY  36          1HA       GLY  36  18.600  -4.113  -3.092
  251    H    VAL  37           H        VAL  37  18.617  -1.826  -4.730
  252    HA   VAL  37           HA       VAL  37  20.996  -2.363  -6.267
  253    HB   VAL  37           HB       VAL  37  20.061  -0.870  -7.950
  254   1HG1  VAL  37          1HG1      VAL  37  19.133  -2.884  -8.386
  255   2HG1  VAL  37          2HG1      VAL  37  17.654  -2.016  -7.978
  256   3HG1  VAL  37          3HG1      VAL  37  18.438  -3.040  -6.771
  257   1HG2  VAL  37          1HG2      VAL  37  19.106   0.757  -6.275
  258   2HG2  VAL  37          2HG2      VAL  37  17.745  -0.351  -6.098
  259   3HG2  VAL  37          3HG2      VAL  37  18.077   0.394  -7.660
  260    H    ALA  38           H        ALA  38  19.822   0.060  -4.094
  261    HA   ALA  38           HA       ALA  38  21.742   2.064  -4.854
  262   1HB   ALA  38          1HB       ALA  38  19.706   1.810  -2.669
  263   2HB   ALA  38          2HB       ALA  38  19.736   2.926  -4.035
  264   3HB   ALA  38          3HB       ALA  38  20.865   3.139  -2.697
  265    H    SER  39           H        SER  39  21.699  -0.655  -2.737
  266    HA   SER  39           HA       SER  39  23.717   0.274  -0.932
  267   1HB   SER  39          2HB       SER  39  23.637  -1.892   0.036
  268   2HB   SER  39          1HB       SER  39  21.984  -1.534  -0.466
  269    HG   SER  39           HG       SER  39  22.071  -3.116  -1.851
  270    H    GLY  40           H        GLY  40  23.696  -1.720  -3.859
  271   1HA   GLY  40          2HA       GLY  40  26.323  -1.050  -4.574
  272   2HA   GLY  40          1HA       GLY  40  26.372  -2.580  -3.718
  273    H    ALA  41           H        ALA  41  24.030  -3.765  -4.614
  274    HA   ALA  41           HA       ALA  41  24.158  -3.765  -7.536
  275   1HB   ALA  41          1HB       ALA  41  25.075  -5.990  -5.792
  276   2HB   ALA  41          2HB       ALA  41  25.684  -5.450  -7.356
  277   3HB   ALA  41          3HB       ALA  41  24.199  -6.397  -7.266
  278    H    GLY  42           H        GLY  42  22.764  -5.659  -4.833
  279   1HA   GLY  42          2HA       GLY  42  20.570  -6.159  -4.340
  280   2HA   GLY  42          1HA       GLY  42  20.113  -4.841  -5.400
  281    H    SER  43           H        SER  43  21.872  -7.820  -6.168
  282    HA   SER  43           HA       SER  43  19.974  -8.302  -8.328
  283   1HB   SER  43          2HB       SER  43  21.711 -10.287  -8.665
  284   2HB   SER  43          1HB       SER  43  22.067  -8.647  -9.205
  285    HG   SER  43           HG       SER  43  23.790  -9.525  -7.996
  286    H    ILE  44           H        ILE  44  20.910  -9.628  -5.236
  287    HA   ILE  44           HA       ILE  44  18.583 -11.368  -5.279
  288    HB   ILE  44           HB       ILE  44  19.912 -13.344  -4.494
  289   1HG1  ILE  44          2HG1      ILE  44  21.976 -11.980  -3.966
  290   2HG1  ILE  44          1HG1      ILE  44  22.267 -13.469  -4.856
  291   1HG2  ILE  44          1HG2      ILE  44  20.561 -12.455  -7.298
  292   2HG2  ILE  44          2HG2      ILE  44  19.007 -13.112  -6.788
  293   3HG2  ILE  44          3HG2      ILE  44  20.456 -14.112  -6.702
  294   1HD1  ILE  44          1HD1      ILE  44  23.406 -12.288  -6.335
  295   2HD1  ILE  44          2HD1      ILE  44  22.950 -10.780  -5.542
  296   3HD1  ILE  44          3HD1      ILE  44  21.910 -11.471  -6.788
  297    H    GLY  45           H        GLY  45  18.393  -9.399  -3.741
  298   1HA   GLY  45          2HA       GLY  45  19.642  -9.907  -1.136
  299   2HA   GLY  45          1HA       GLY  45  18.743  -8.470  -1.596
  300    H    ARG  46           H        ARG  46  16.399  -9.597  -2.566
  301    HA   ARG  46           HA       ARG  46  15.305 -10.816  -0.119
  302   1HB   ARG  46          2HB       ARG  46  14.280  -8.722  -1.957
  303   2HB   ARG  46          1HB       ARG  46  13.101  -9.833  -1.276
  304   1HG   ARG  46          2HG       ARG  46  15.031  -8.609   0.601
  305   2HG   ARG  46          1HG       ARG  46  13.795  -7.556  -0.092
  306   1HD   ARG  46          2HD       ARG  46  12.056  -8.756   0.862
  307   2HD   ARG  46          1HD       ARG  46  13.038 -10.204   1.075
  308    HE   ARG  46           HE       ARG  46  12.834  -7.956   2.867
  309   1HH1  ARG  46          1HH1      ARG  46  14.760 -10.700   1.900
  310   2HH1  ARG  46          2HH1      ARG  46  15.580 -10.818   3.419
  311   1HH2  ARG  46          1HH2      ARG  46  13.912  -8.110   4.866
  312   2HH2  ARG  46          2HH2      ARG  46  15.099  -9.349   5.104
  313    H    ARG  47           H        ARG  47  15.423 -10.980  -3.610
  314    HA   ARG  47           HA       ARG  47  13.607 -13.277  -3.651
  315   1HB   ARG  47          2HB       ARG  47  14.800 -11.522  -5.782
  316   2HB   ARG  47          1HB       ARG  47  14.071 -13.068  -6.189
  317   1HG   ARG  47          2HG       ARG  47  12.089 -12.023  -4.723
  318   2HG   ARG  47          1HG       ARG  47  12.812 -10.538  -5.347
  319   1HD   ARG  47          2HD       ARG  47  12.760 -11.952  -7.607
  320   2HD   ARG  47          1HD       ARG  47  11.409 -12.723  -6.779
  321    HE   ARG  47           HE       ARG  47  10.176 -10.871  -7.244
  322   1HH1  ARG  47          1HH1      ARG  47  13.538  -9.939  -7.227
  323   2HH1  ARG  47          2HH1      ARG  47  13.217  -8.309  -7.717
  324   1HH2  ARG  47          1HH2      ARG  47   9.754  -8.730  -7.893
  325   2HH2  ARG  47          2HH2      ARG  47  11.070  -7.623  -8.095
  326    HA   PRO  48           HA       PRO  48  17.354 -15.820  -3.289
  327   1HB   PRO  48          2HB       PRO  48  15.352 -17.954  -3.781
  328   2HB   PRO  48          1HB       PRO  48  16.559 -17.818  -2.497
  329   1HG   PRO  48          2HG       PRO  48  13.971 -17.392  -2.002
  330   2HG   PRO  48          1HG       PRO  48  15.230 -16.424  -1.213
  331   1HD   PRO  48          2HD       PRO  48  13.427 -15.707  -3.486
  332   2HD   PRO  48          1HD       PRO  48  14.011 -14.703  -2.138
  Start of MODEL   10
    1    H    VAL   1           H        VAL   1 -27.826  14.602  11.411
    2    HA   VAL   1           HA       VAL   1 -25.700  14.917  10.165
    3    HB   VAL   1           HB       VAL   1 -26.967  17.374  11.423
    4   1HG1  VAL   1          1HG1      VAL   1 -24.964  17.180   9.132
    5   2HG1  VAL   1          2HG1      VAL   1 -25.833  18.654   9.625
    6   3HG1  VAL   1          3HG1      VAL   1 -24.656  17.903  10.729
    7   1HG2  VAL   1          1HG2      VAL   1 -28.048  17.548   9.222
    8   2HG2  VAL   1          2HG2      VAL   1 -27.151  16.121   8.650
    9   3HG2  VAL   1          3HG2      VAL   1 -28.371  15.949   9.935
   10    H    ASN   2           H        ASN   2 -25.285  14.409  13.233
   11    HA   ASN   2           HA       ASN   2 -23.128  16.179  13.927
   12   1HB   ASN   2          2HB       ASN   2 -22.904  14.762  15.922
   13   2HB   ASN   2          1HB       ASN   2 -24.591  15.199  15.642
   14   1HD2  ASN   2          1HD2      ASN   2 -23.570  12.981  17.158
   15   2HD2  ASN   2          2HD2      ASN   2 -24.172  11.544  16.410
   16    H    TYR   3           H        TYR   3 -21.144  16.051  13.126
   17    HA   TYR   3           HA       TYR   3 -20.178  13.606  11.911
   18   1HB   TYR   3          2HB       TYR   3 -19.342  16.437  11.954
   19   2HB   TYR   3          1HB       TYR   3 -18.029  15.266  11.858
   20    HD1  TYR   3          1HD       TYR   3 -21.248  16.199  10.246
   21    HD2  TYR   3          2HD       TYR   3 -17.475  14.292   9.819
   22    HE1  TYR   3          1HE       TYR   3 -21.676  15.906   7.848
   23    HE2  TYR   3          2HE       TYR   3 -17.886  13.998   7.415
   24    HH   TYR   3           HH       TYR   3 -19.233  14.930   5.648
   25    H    GLY   4           H        GLY   4 -17.770  13.062  12.411
   26   1HA   GLY   4          2HA       GLY   4 -16.451  13.485  14.744
   27   2HA   GLY   4          1HA       GLY   4 -17.671  12.295  15.197
   28    H    ASN   5           H        ASN   5 -15.882  10.852  15.664
   29    HA   ASN   5           HA       ASN   5 -14.141   9.983  13.540
   30   1HB   ASN   5          2HB       ASN   5 -13.557   8.160  15.228
   31   2HB   ASN   5          1HB       ASN   5 -13.241   9.818  15.736
   32   1HD2  ASN   5          1HD2      ASN   5 -13.980  10.393  17.660
   33   2HD2  ASN   5          2HD2      ASN   5 -15.218   9.585  18.554
   34    H    GLY   6           H        GLY   6 -17.108   8.813  15.034
   35   1HA   GLY   6          2HA       GLY   6 -17.150   6.237  13.936
   36   2HA   GLY   6          1HA       GLY   6 -18.563   7.150  14.429
   37    H    VAL   7           H        VAL   7 -17.955   9.317  12.439
   38    HA   VAL   7           HA       VAL   7 -19.241   8.001  10.186
   39    HB   VAL   7           HB       VAL   7 -19.373  10.337   9.239
   40   1HG1  VAL   7          1HG1      VAL   7 -20.622  10.321  11.951
   41   2HG1  VAL   7          2HG1      VAL   7 -21.098   9.116  10.752
   42   3HG1  VAL   7          3HG1      VAL   7 -21.299  10.833  10.408
   43   1HG2  VAL   7          1HG2      VAL   7 -18.457  12.120  10.251
   44   2HG2  VAL   7          2HG2      VAL   7 -17.439  10.933  11.060
   45   3HG2  VAL   7          3HG2      VAL   7 -18.883  11.547  11.862
   46    H    SER   8           H        SER   8 -17.462   6.757   9.425
   47    HA   SER   8           HA       SER   8 -15.584   8.336   7.795
   48   1HB   SER   8          2HB       SER   8 -14.285   7.706   9.719
   49   2HB   SER   8          1HB       SER   8 -14.858   6.041   9.628
   50    HG   SER   8           HG       SER   8 -12.878   6.049   8.677
   51    H    CYS   9           H        CYS   9 -17.284   7.703   6.218
   52    HA   CYS   9           HA       CYS   9 -16.370   5.507   4.654
   53   1HB   CYS   9          2HB       CYS   9 -17.729   4.248   6.277
   54   2HB   CYS   9          1HB       CYS   9 -19.115   5.267   5.916
   55    H    SER  10           H        SER  10 -16.149   7.337   3.257
   56    HA   SER  10           HA       SER  10 -18.407   8.876   2.435
   57   1HB   SER  10          2HB       SER  10 -15.800   8.503   0.937
   58   2HB   SER  10          1HB       SER  10 -16.939   9.840   0.783
   59    HG   SER  10           HG       SER  10 -15.314   9.209   3.018
   60    H    LYS  11           H        LYS  11 -18.157   8.879  -0.366
   61    HA   LYS  11           HA       LYS  11 -19.677   6.520  -0.993
   62   1HB   LYS  11          2HB       LYS  11 -18.770   8.908  -2.593
   63   2HB   LYS  11          1HB       LYS  11 -19.536   7.526  -3.366
   64   1HG   LYS  11          2HG       LYS  11 -20.875   8.822  -1.043
   65   2HG   LYS  11          1HG       LYS  11 -20.948   9.589  -2.630
   66   1HD   LYS  11          2HD       LYS  11 -21.709   6.713  -2.147
   67   2HD   LYS  11          1HD       LYS  11 -22.865   8.046  -2.075
   68   1HE   LYS  11          2HE       LYS  11 -21.933   8.632  -4.429
   69   2HE   LYS  11          1HE       LYS  11 -21.360   6.965  -4.426
   70   1HZ   LYS  11          1HZ       LYS  11 -23.670   6.270  -3.966
   71   2HZ   LYS  11          2HZ       LYS  11 -23.500   7.055  -5.455
   72   3HZ   LYS  11          3HZ       LYS  11 -24.172   7.878  -4.138
   73    H    THR  12           H        THR  12 -16.544   7.882  -1.983
   74    HA   THR  12           HA       THR  12 -15.820   5.382  -3.281
   75    HB   THR  12           HB       THR  12 -14.132   7.864  -2.955
   76    HG1  THR  12          1HG       THR  12 -15.127   8.697  -4.607
   77   1HG2  THR  12          1HG2      THR  12 -13.828   6.181  -5.326
   78   2HG2  THR  12          2HG2      THR  12 -13.331   5.427  -3.811
   79   3HG2  THR  12          3HG2      THR  12 -12.612   6.958  -4.313
   80    H    LYS  13           H        LYS  13 -14.632   7.410  -0.601
   81    HA   LYS  13           HA       LYS  13 -12.693   5.422   0.179
   82   1HB   LYS  13          2HB       LYS  13 -13.574   7.853   1.744
   83   2HB   LYS  13          1HB       LYS  13 -12.081   6.944   1.939
   84   1HG   LYS  13          2HG       LYS  13 -11.470   7.638  -0.395
   85   2HG   LYS  13          1HG       LYS  13 -12.867   8.714  -0.361
   86   1HD   LYS  13          2HD       LYS  13 -11.208  10.148   0.327
   87   2HD   LYS  13          1HD       LYS  13 -11.779   9.542   1.883
   88   1HE   LYS  13          2HE       LYS  13  -9.965   7.850   1.831
   89   2HE   LYS  13          1HE       LYS  13  -9.367   8.582   0.343
   90   1HZ   LYS  13          1HZ       LYS  13  -9.389   9.713   3.072
   91   2HZ   LYS  13          2HZ       LYS  13  -9.267  10.718   1.717
   92   3HZ   LYS  13          3HZ       LYS  13  -8.085   9.543   2.005
   93    H    CYS  14           H        CYS  14 -13.208   3.643   1.245
   94    HA   CYS  14           HA       CYS  14 -14.310   3.439   3.716
   95   1HB   CYS  14          2HB       CYS  14 -16.363   4.401   2.767
   96   2HB   CYS  14          1HB       CYS  14 -16.503   3.021   1.682
   97    H    SER  15           H        SER  15 -14.548   1.809   0.543
   98    HA   SER  15           HA       SER  15 -13.371  -0.573   1.795
   99   1HB   SER  15          2HB       SER  15 -14.967  -2.003   0.411
  100   2HB   SER  15          1HB       SER  15 -15.656  -1.198   1.818
  101    HG   SER  15           HG       SER  15 -16.690  -1.091  -0.461
  102    H    VAL  16           H        VAL  16 -11.768  -1.380   0.654
  103    HA   VAL  16           HA       VAL  16 -11.704  -1.412  -2.212
  104    HB   VAL  16           HB       VAL  16 -11.064   0.917  -1.898
  105   1HG1  VAL  16          1HG1      VAL  16  -9.615   1.688  -0.362
  106   2HG1  VAL  16          2HG1      VAL  16  -8.531   0.305  -0.533
  107   3HG1  VAL  16          3HG1      VAL  16  -9.989   0.168   0.449
  108   1HG2  VAL  16          1HG2      VAL  16 -10.006  -0.266  -3.731
  109   2HG2  VAL  16          2HG2      VAL  16  -8.723  -0.837  -2.662
  110   3HG2  VAL  16          3HG2      VAL  16  -8.870   0.884  -3.026
  111    H    ASN  17           H        ASN  17 -11.386  -3.644  -1.783
  112    HA   ASN  17           HA       ASN  17  -9.306  -4.658  -0.171
  113   1HB   ASN  17          2HB       ASN  17 -11.385  -5.862  -1.200
  114   2HB   ASN  17          1HB       ASN  17 -10.320  -6.148  -2.576
  115   1HD2  ASN  17          1HD2      ASN  17 -10.146  -6.319   0.974
  116   2HD2  ASN  17          2HD2      ASN  17  -9.365  -7.859   1.028
  117    H    TRP  18           H        TRP  18  -9.405  -3.581  -3.501
  118    HA   TRP  18           HA       TRP  18  -6.746  -4.633  -4.083
  119   1HB   TRP  18          2HB       TRP  18  -9.008  -3.772  -5.630
  120   2HB   TRP  18          1HB       TRP  18  -7.592  -2.850  -6.130
  121    HD1  TRP  18           HD       TRP  18  -5.299  -4.734  -6.299
  122    HE1  TRP  18          1HE       TRP  18  -5.293  -6.891  -7.703
  123    HE3  TRP  18          3HE       TRP  18 -10.343  -5.398  -6.790
  124    HZ2  TRP  18          2HZ       TRP  18  -7.177  -8.634  -8.872
  125    HZ3  TRP  18          3HZ       TRP  18 -11.160  -7.333  -8.071
  126    HH2  TRP  18           HH       TRP  18  -9.607  -8.917  -9.090
  127    H    GLY  19           H        GLY  19  -7.123  -2.506  -1.985
  128   1HA   GLY  19          2HA       GLY  19  -5.657  -0.266  -3.239
  129   2HA   GLY  19          1HA       GLY  19  -6.547  -0.183  -1.727
  130    H    GLN  20           H        GLN  20  -5.659  -1.253   0.141
  131    HA   GLN  20           HA       GLN  20  -2.918  -0.720   0.485
  132   1HB   GLN  20          2HB       GLN  20  -3.211  -1.827   2.694
  133   2HB   GLN  20          1HB       GLN  20  -4.422  -0.598   2.361
  134   1HG   GLN  20          2HG       GLN  20  -5.967  -2.095   2.879
  135   2HG   GLN  20          1HG       GLN  20  -5.533  -2.965   1.406
  136   1HE2  GLN  20          1HE2      GLN  20  -3.786  -2.530   4.455
  137   2HE2  GLN  20          2HE2      GLN  20  -3.648  -4.213   4.818
  138    H    ALA  21           H        ALA  21  -4.615  -3.580  -0.507
  139    HA   ALA  21           HA       ALA  21  -2.710  -5.535   0.144
  140   1HB   ALA  21          1HB       ALA  21  -4.999  -6.060  -0.569
  141   2HB   ALA  21          2HB       ALA  21  -3.803  -6.913  -1.543
  142   3HB   ALA  21          3HB       ALA  21  -4.618  -5.491  -2.194
  143    H    PHE  22           H        PHE  22  -3.300  -4.349  -3.154
  144    HA   PHE  22           HA       PHE  22  -0.955  -5.320  -4.229
  145   1HB   PHE  22          2HB       PHE  22  -2.846  -4.319  -5.563
  146   2HB   PHE  22          1HB       PHE  22  -2.218  -2.727  -5.133
  147    HD1  PHE  22          1HD       PHE  22  -1.164  -1.748  -6.871
  148    HD2  PHE  22          2HD       PHE  22  -0.636  -5.912  -6.251
  149    HE1  PHE  22          1HE       PHE  22   0.468  -1.803  -8.680
  150    HE2  PHE  22          2HE       PHE  22   1.000  -5.980  -8.061
  151    HZ   PHE  22           HZ       PHE  22   1.555  -3.923  -9.304
  152    H    GLN  23           H        GLN  23  -1.422  -2.272  -2.484
  153    HA   GLN  23           HA       GLN  23   1.117  -1.216  -3.303
  154   1HB   GLN  23          2HB       GLN  23  -0.845   0.180  -2.568
  155   2HB   GLN  23          1HB       GLN  23  -0.531  -0.353  -0.922
  156   1HG   GLN  23          2HG       GLN  23   1.802   0.584  -1.207
  157   2HG   GLN  23          1HG       GLN  23   1.213   1.339  -2.686
  158   1HE2  GLN  23          1HE2      GLN  23   1.505   1.605   0.658
  159   2HE2  GLN  23          2HE2      GLN  23   0.511   2.999   0.887
  160    H    GLU  24           H        GLU  24  -0.105  -2.816  -0.394
  161    HA   GLU  24           HA       GLU  24   2.287  -2.640   1.108
  162   1HB   GLU  24          2HB       GLU  24  -0.020  -3.199   1.990
  163   2HB   GLU  24          1HB       GLU  24   0.186  -4.803   1.304
  164   1HG   GLU  24          2HG       GLU  24   2.387  -3.928   3.022
  165   2HG   GLU  24          1HG       GLU  24   0.834  -4.095   3.841
  166    H    ARG  25           H        ARG  25   1.076  -4.854  -1.282
  167    HA   ARG  25           HA       ARG  25   3.086  -6.857  -0.923
  168   1HB   ARG  25          2HB       ARG  25   0.630  -6.451  -2.400
  169   2HB   ARG  25          1HB       ARG  25   1.872  -7.113  -3.454
  170   1HG   ARG  25          2HG       ARG  25   0.974  -9.036  -2.643
  171   2HG   ARG  25          1HG       ARG  25   2.233  -8.764  -1.438
  172   1HD   ARG  25          2HD       ARG  25   0.735  -8.522   0.197
  173   2HD   ARG  25          1HD       ARG  25  -0.225  -7.393  -0.757
  174    HE   ARG  25           HE       ARG  25  -1.683  -9.097  -1.125
  175   1HH1  ARG  25          1HH1      ARG  25   1.457 -10.496  -0.519
  176   2HH1  ARG  25          2HH1      ARG  25   0.886 -12.128  -0.615
  177   1HH2  ARG  25          1HH2      ARG  25  -2.435 -11.243  -1.248
  178   2HH2  ARG  25          2HH2      ARG  25  -1.322 -12.552  -1.028
  179    H    TYR  26           H        TYR  26   2.340  -4.530  -3.505
  180    HA   TYR  26           HA       TYR  26   4.715  -5.078  -4.981
  181   1HB   TYR  26          2HB       TYR  26   3.658  -3.976  -6.599
  182   2HB   TYR  26          1HB       TYR  26   2.296  -3.985  -5.494
  183    HD1  TYR  26          1HD       TYR  26   5.167  -1.864  -6.559
  184    HD2  TYR  26          2HD       TYR  26   1.323  -1.987  -4.831
  185    HE1  TYR  26          1HE       TYR  26   5.000   0.573  -6.695
  186    HE2  TYR  26          2HE       TYR  26   1.111   0.411  -4.975
  187    HH   TYR  26           HH       TYR  26   3.618   2.418  -5.349
  188    H    THR  27           H        THR  27   3.723  -2.084  -3.237
  189    HA   THR  27           HA       THR  27   6.090  -0.698  -3.580
  190    HB   THR  27           HB       THR  27   4.540  -0.544  -1.013
  191    HG1  THR  27          1HG       THR  27   3.605   1.093  -2.963
  192   1HG2  THR  27          1HG2      THR  27   6.333   1.237  -2.508
  193   2HG2  THR  27          2HG2      THR  27   6.016   1.128  -0.778
  194   3HG2  THR  27          3HG2      THR  27   4.892   1.992  -1.828
  195    H    ALA  28           H        ALA  28   5.350  -3.241  -1.310
  196    HA   ALA  28           HA       ALA  28   7.613  -2.916   0.359
  197   1HB   ALA  28          1HB       ALA  28   7.168  -5.313   0.974
  198   2HB   ALA  28          2HB       ALA  28   5.884  -5.315  -0.235
  199   3HB   ALA  28          3HB       ALA  28   5.786  -4.232   1.153
  200    H    GLY  29           H        GLY  29   7.016  -4.997  -2.469
  201   1HA   GLY  29          2HA       GLY  29   9.596  -6.187  -2.462
  202   2HA   GLY  29          1HA       GLY  29   8.467  -6.182  -3.812
  203    H    ILE  30           H        ILE  30   8.221  -3.521  -4.382
  204    HA   ILE  30           HA       ILE  30  10.564  -3.027  -5.876
  205    HB   ILE  30           HB       ILE  30   8.314  -2.215  -6.530
  206   1HG1  ILE  30          2HG1      ILE  30  10.159   0.149  -6.238
  207   2HG1  ILE  30          1HG1      ILE  30  10.547  -1.197  -7.306
  208   1HG2  ILE  30          1HG2      ILE  30   7.858  -1.429  -4.098
  209   2HG2  ILE  30          2HG2      ILE  30   7.172  -0.529  -5.451
  210   3HG2  ILE  30          3HG2      ILE  30   8.615   0.071  -4.634
  211   1HD1  ILE  30          1HD1      ILE  30   7.901   0.148  -7.550
  212   2HD1  ILE  30          2HD1      ILE  30   8.854  -0.694  -8.771
  213   3HD1  ILE  30          3HD1      ILE  30   9.339   0.911  -8.228
  214    H    ASN  31           H        ASN  31   9.394  -1.828  -2.774
  215    HA   ASN  31           HA       ASN  31  11.207   0.268  -2.399
  216   1HB   ASN  31          2HB       ASN  31   9.596  -1.472  -0.581
  217   2HB   ASN  31          1HB       ASN  31  10.895  -0.526   0.134
  218   1HD2  ASN  31          1HD2      ASN  31   8.183  -0.146   0.711
  219   2HD2  ASN  31          2HD2      ASN  31   7.725   1.423   0.155
  220    H    SER  32           H        SER  32  11.510  -3.196  -1.759
  221    HA   SER  32           HA       SER  32  14.032  -3.040  -0.490
  222   1HB   SER  32          2HB       SER  32  12.753  -5.021  -0.135
  223   2HB   SER  32          1HB       SER  32  12.595  -5.312  -1.869
  224    HG   SER  32           HG       SER  32  14.983  -5.439  -0.339
  225    H    PHE  33           H        PHE  33  13.072  -3.377  -3.861
  226    HA   PHE  33           HA       PHE  33  15.562  -4.058  -4.954
  227   1HB   PHE  33          2HB       PHE  33  14.201  -4.136  -6.741
  228   2HB   PHE  33          1HB       PHE  33  12.984  -3.166  -5.923
  229    HD1  PHE  33          1HD       PHE  33  15.899  -3.066  -8.157
  230    HD2  PHE  33          2HD       PHE  33  12.754  -0.808  -6.401
  231    HE1  PHE  33          1HE       PHE  33  16.358  -1.214  -9.706
  232    HE2  PHE  33          2HE       PHE  33  13.209   1.036  -7.942
  233    HZ   PHE  33           HZ       PHE  33  15.010   0.838  -9.603
  234    H    VAL  34           H        VAL  34  14.167  -0.964  -4.061
  235    HA   VAL  34           HA       VAL  34  16.120   0.710  -5.207
  236    HB   VAL  34           HB       VAL  34  14.669   1.399  -2.677
  237   1HG1  VAL  34          1HG1      VAL  34  16.407   2.888  -3.795
  238   2HG1  VAL  34          2HG1      VAL  34  14.844   3.610  -3.414
  239   3HG1  VAL  34          3HG1      VAL  34  15.211   3.123  -5.069
  240   1HG2  VAL  34          1HG2      VAL  34  12.891   0.525  -3.913
  241   2HG2  VAL  34          2HG2      VAL  34  13.545   1.101  -5.445
  242   3HG2  VAL  34          3HG2      VAL  34  12.854   2.246  -4.296
  243    H    SER  35           H        SER  35  15.728  -0.167  -1.806
  244    HA   SER  35           HA       SER  35  18.080   0.878  -0.833
  245   1HB   SER  35          2HB       SER  35  16.732  -1.686   0.023
  246   2HB   SER  35          1HB       SER  35  17.922  -0.796   0.970
  247    HG   SER  35           HG       SER  35  15.284  -0.398   0.806
  248    H    GLY  36           H        GLY  36  17.604  -2.503  -1.898
  249   1HA   GLY  36          2HA       GLY  36  20.266  -3.325  -1.616
  250   2HA   GLY  36          1HA       GLY  36  19.097  -4.060  -2.704
  251    H    VAL  37           H        VAL  37  18.607  -2.201  -4.558
  252    HA   VAL  37           HA       VAL  37  20.924  -2.286  -6.184
  253    HB   VAL  37           HB       VAL  37  18.289  -0.839  -6.488
  254   1HG1  VAL  37          1HG1      VAL  37  18.842  -0.276  -8.741
  255   2HG1  VAL  37          2HG1      VAL  37  20.395  -1.105  -8.626
  256   3HG1  VAL  37          3HG1      VAL  37  20.110   0.370  -7.702
  257   1HG2  VAL  37          1HG2      VAL  37  18.080  -2.567  -8.350
  258   2HG2  VAL  37          2HG2      VAL  37  17.965  -3.154  -6.694
  259   3HG2  VAL  37          3HG2      VAL  37  19.459  -3.367  -7.601
  260    H    ALA  38           H        ALA  38  19.782  -0.032  -3.831
  261    HA   ALA  38           HA       ALA  38  21.109   2.287  -4.824
  262   1HB   ALA  38          1HB       ALA  38  19.504   2.897  -3.328
  263   2HB   ALA  38          2HB       ALA  38  20.897   2.869  -2.246
  264   3HB   ALA  38          3HB       ALA  38  19.786   1.502  -2.288
  265    H    SER  39           H        SER  39  22.036  -0.415  -2.807
  266    HA   SER  39           HA       SER  39  24.470   0.732  -1.852
  267   1HB   SER  39          2HB       SER  39  24.984  -1.506  -1.040
  268   2HB   SER  39          1HB       SER  39  23.299  -1.123  -0.688
  269    HG   SER  39           HG       SER  39  23.549  -3.226  -1.565
  270    H    GLY  40           H        GLY  40  23.533  -1.127  -4.663
  271   1HA   GLY  40          2HA       GLY  40  25.078  -0.577  -6.601
  272   2HA   GLY  40          1HA       GLY  40  26.356  -1.173  -5.554
  273    H    ALA  41           H        ALA  41  24.453  -3.285  -4.515
  274    HA   ALA  41           HA       ALA  41  23.617  -4.951  -6.605
  275   1HB   ALA  41          1HB       ALA  41  25.895  -5.126  -7.290
  276   2HB   ALA  41          2HB       ALA  41  25.447  -6.651  -6.525
  277   3HB   ALA  41          3HB       ALA  41  26.422  -5.475  -5.644
  278    H    GLY  42           H        GLY  42  25.609  -5.728  -3.750
  279   1HA   GLY  42          2HA       GLY  42  23.303  -6.467  -2.187
  280   2HA   GLY  42          1HA       GLY  42  24.204  -7.850  -2.788
  281    H    SER  43           H        SER  43  25.352  -4.700  -1.624
  282    HA   SER  43           HA       SER  43  26.747  -4.112   0.070
  283   1HB   SER  43          2HB       SER  43  25.349  -6.492   1.153
  284   2HB   SER  43          1HB       SER  43  26.839  -6.026   1.972
  285    HG   SER  43           HG       SER  43  24.394  -4.752   1.880
  286    H    ILE  44           H        ILE  44  28.353  -4.515  -1.699
  287    HA   ILE  44           HA       ILE  44  29.973  -6.898  -1.463
  288    HB   ILE  44           HB       ILE  44  30.562  -4.420  -3.080
  289   1HG1  ILE  44          2HG1      ILE  44  29.503  -6.782  -4.474
  290   2HG1  ILE  44          1HG1      ILE  44  28.344  -6.007  -3.397
  291   1HG2  ILE  44          1HG2      ILE  44  31.433  -7.103  -3.946
  292   2HG2  ILE  44          2HG2      ILE  44  32.237  -6.440  -2.523
  293   3HG2  ILE  44          3HG2      ILE  44  32.263  -5.550  -4.045
  294   1HD1  ILE  44          1HD1      ILE  44  27.983  -4.407  -4.875
  295   2HD1  ILE  44          2HD1      ILE  44  29.034  -5.264  -6.003
  296   3HD1  ILE  44          3HD1      ILE  44  29.703  -4.022  -4.944
  297    H    GLY  45           H        GLY  45  30.835  -3.436  -1.353
  298   1HA   GLY  45          2HA       GLY  45  33.294  -3.858  -0.048
  299   2HA   GLY  45          1HA       GLY  45  32.451  -2.323  -0.168
  300    H    ARG  46           H        ARG  46  30.125  -3.908   1.224
  301    HA   ARG  46           HA       ARG  46  29.316  -4.097   3.341
  302   1HB   ARG  46          2HB       ARG  46  31.098  -5.816   3.542
  303   2HB   ARG  46          1HB       ARG  46  32.201  -4.570   4.112
  304   1HG   ARG  46          2HG       ARG  46  30.212  -4.216   5.862
  305   2HG   ARG  46          1HG       ARG  46  29.985  -5.929   5.508
  306   1HD   ARG  46          2HD       ARG  46  32.763  -5.475   5.858
  307   2HD   ARG  46          1HD       ARG  46  31.919  -4.694   7.195
  308    HE   ARG  46           HE       ARG  46  30.943  -7.327   6.747
  309   1HH1  ARG  46          1HH1      ARG  46  33.598  -5.554   8.156
  310   2HH1  ARG  46          2HH1      ARG  46  33.983  -6.796   9.300
  311   1HH2  ARG  46          1HH2      ARG  46  31.448  -8.960   8.250
  312   2HH2  ARG  46          2HH2      ARG  46  32.763  -8.728   9.353
  313    H    ARG  47           H        ARG  47  28.582  -2.047   3.679
  314    HA   ARG  47           HA       ARG  47  30.419   0.001   4.644
  315   1HB   ARG  47          2HB       ARG  47  27.493   0.063   3.904
  316   2HB   ARG  47          1HB       ARG  47  28.340   1.444   4.582
  317   1HG   ARG  47          2HG       ARG  47  29.988   0.892   2.555
  318   2HG   ARG  47          1HG       ARG  47  28.481   0.270   1.879
  319   1HD   ARG  47          2HD       ARG  47  28.819   3.031   3.043
  320   2HD   ARG  47          1HD       ARG  47  28.939   2.654   1.324
  321    HE   ARG  47           HE       ARG  47  26.482   1.783   2.536
  322   1HH1  ARG  47          1HH1      ARG  47  28.127   4.446   0.993
  323   2HH1  ARG  47          2HH1      ARG  47  26.663   5.214   0.478
  324   1HH2  ARG  47          1HH2      ARG  47  24.557   2.791   1.858
  325   2HH2  ARG  47          2HH2      ARG  47  24.637   4.276   0.969
  326    HA   PRO  48           HA       PRO  48  29.591  -1.057   8.915
  327   1HB   PRO  48          2HB       PRO  48  30.378   1.776   9.351
  328   2HB   PRO  48          1HB       PRO  48  30.997   0.307  10.114
  329   1HG   PRO  48          2HG       PRO  48  32.431   1.589   8.273
  330   2HG   PRO  48          1HG       PRO  48  32.403  -0.184   8.336
  331   1HD   PRO  48          2HD       PRO  48  30.997   1.674   6.461
  332   2HD   PRO  48          1HD       PRO  48  31.747   0.093   6.141
  Start of MODEL   11
    1    H    VAL   1           H        VAL   1  -1.284 -22.244  22.452
    2    HA   VAL   1           HA       VAL   1  -0.505 -19.889  22.309
    3    HB   VAL   1           HB       VAL   1   1.257 -21.831  23.846
    4   1HG1  VAL   1          1HG1      VAL   1   2.535 -19.802  23.595
    5   2HG1  VAL   1          2HG1      VAL   1   1.099 -18.792  23.888
    6   3HG1  VAL   1          3HG1      VAL   1   1.798 -19.752  25.214
    7   1HG2  VAL   1          1HG2      VAL   1  -0.150 -21.175  25.729
    8   2HG2  VAL   1          2HG2      VAL   1  -1.004 -19.983  24.719
    9   3HG2  VAL   1          3HG2      VAL   1  -1.193 -21.723  24.395
   10    H    ASN   2           H        ASN   2   0.406 -21.323  19.874
   11    HA   ASN   2           HA       ASN   2   3.208 -20.771  19.624
   12   1HB   ASN   2          2HB       ASN   2   1.543 -22.463  18.327
   13   2HB   ASN   2          1HB       ASN   2   1.604 -21.135  17.169
   14   1HD2  ASN   2          1HD2      ASN   2   2.562 -23.282  16.161
   15   2HD2  ASN   2          2HD2      ASN   2   4.289 -23.338  16.166
   16    H    TYR   3           H        TYR   3   3.531 -18.588  19.990
   17    HA   TYR   3           HA       TYR   3   2.074 -16.588  18.478
   18   1HB   TYR   3          2HB       TYR   3   4.171 -16.589  20.596
   19   2HB   TYR   3          1HB       TYR   3   4.124 -15.193  19.526
   20    HD1  TYR   3          1HD       TYR   3   2.695 -16.747  22.404
   21    HD2  TYR   3          2HD       TYR   3   1.886 -13.960  19.292
   22    HE1  TYR   3          1HE       TYR   3   0.856 -15.804  23.735
   23    HE2  TYR   3          2HE       TYR   3   0.046 -13.008  20.616
   24    HH   TYR   3           HH       TYR   3  -0.346 -13.491  23.835
   25    H    GLY   4           H        GLY   4   2.516 -16.875  16.292
   26   1HA   GLY   4          2HA       GLY   4   5.346 -17.004  15.462
   27   2HA   GLY   4          1HA       GLY   4   3.968 -17.476  14.485
   28    H    ASN   5           H        ASN   5   2.607 -15.784  13.613
   29    HA   ASN   5           HA       ASN   5   3.517 -13.050  13.615
   30   1HB   ASN   5          2HB       ASN   5   3.724 -14.651  11.046
   31   2HB   ASN   5          1HB       ASN   5   3.999 -12.924  11.210
   32   1HD2  ASN   5          1HD2      ASN   5   6.030 -12.355  11.251
   33   2HD2  ASN   5          2HD2      ASN   5   7.354 -13.316  11.804
   34    H    GLY   6           H        GLY   6   1.156 -13.857  14.432
   35   1HA   GLY   6          2HA       GLY   6  -0.681 -12.696  12.512
   36   2HA   GLY   6          1HA       GLY   6  -0.980 -14.400  12.866
   37    H    VAL   7           H        VAL   7  -0.320 -11.354  14.529
   38    HA   VAL   7           HA       VAL   7  -2.595 -11.766  16.302
   39    HB   VAL   7           HB       VAL   7  -1.139 -11.189  18.298
   40   1HG1  VAL   7          1HG1      VAL   7  -0.140 -13.584  18.385
   41   2HG1  VAL   7          2HG1      VAL   7  -1.008 -13.810  16.869
   42   3HG1  VAL   7          3HG1      VAL   7  -1.889 -13.375  18.331
   43   1HG2  VAL   7          1HG2      VAL   7   1.281 -11.956  17.996
   44   2HG2  VAL   7          2HG2      VAL   7   0.839 -10.376  17.347
   45   3HG2  VAL   7          3HG2      VAL   7   0.995 -11.760  16.266
   46    H    SER   8           H        SER   8  -2.068  -9.944  14.192
   47    HA   SER   8           HA       SER   8  -2.779  -7.506  15.378
   48   1HB   SER   8          2HB       SER   8  -0.687  -6.213  14.672
   49   2HB   SER   8          1HB       SER   8  -0.543  -7.210  16.120
   50    HG   SER   8           HG       SER   8   1.202  -7.758  14.960
   51    H    CYS   9           H        CYS   9  -3.709  -9.131  13.332
   52    HA   CYS   9           HA       CYS   9  -4.492  -9.095  11.212
   53   1HB   CYS   9          2HB       CYS   9  -5.307  -6.888  12.106
   54   2HB   CYS   9          1HB       CYS   9  -3.938  -6.132  11.299
   55    H    SER  10           H        SER  10  -1.631  -9.545  11.525
   56    HA   SER  10           HA       SER  10  -0.301  -8.172   9.394
   57   1HB   SER  10          2HB       SER  10   0.486 -10.733  10.807
   58   2HB   SER  10          1HB       SER  10   1.535  -9.751   9.785
   59    HG   SER  10           HG       SER  10   1.393  -9.516  12.292
   60    H    LYS  11           H        LYS  11  -0.798 -11.662   9.753
   61    HA   LYS  11           HA       LYS  11  -0.826 -12.048   6.914
   62   1HB   LYS  11          2HB       LYS  11  -1.119 -14.421   7.470
   63   2HB   LYS  11          1HB       LYS  11   0.207 -13.698   8.367
   64   1HG   LYS  11          2HG       LYS  11  -0.824 -13.948  10.366
   65   2HG   LYS  11          1HG       LYS  11  -2.434 -13.712   9.690
   66   1HD   LYS  11          2HD       LYS  11  -2.264 -15.986  10.415
   67   2HD   LYS  11          1HD       LYS  11  -2.244 -15.977   8.650
   68   1HE   LYS  11          2HE       LYS  11   0.358 -15.861  10.082
   69   2HE   LYS  11          1HE       LYS  11  -0.510 -17.396  10.068
   70   1HZ   LYS  11          1HZ       LYS  11  -0.548 -17.322   7.660
   71   2HZ   LYS  11          2HZ       LYS  11   1.044 -17.217   8.220
   72   3HZ   LYS  11          3HZ       LYS  11   0.255 -15.832   7.659
   73    H    THR  12           H        THR  12  -3.238 -11.642   9.383
   74    HA   THR  12           HA       THR  12  -5.350 -12.738   7.724
   75    HB   THR  12           HB       THR  12  -6.834 -12.163   9.611
   76    HG1  THR  12          1HG       THR  12  -6.202 -10.670  10.914
   77   1HG2  THR  12          1HG2      THR  12  -5.436 -13.432  11.441
   78   2HG2  THR  12          2HG2      THR  12  -4.398 -13.787  10.060
   79   3HG2  THR  12          3HG2      THR  12  -6.094 -14.266  10.034
   80    H    LYS  13           H        LYS  13  -6.811 -11.643   6.574
   81    HA   LYS  13           HA       LYS  13  -6.311  -8.860   6.022
   82   1HB   LYS  13          2HB       LYS  13  -6.870 -10.453   4.226
   83   2HB   LYS  13          1HB       LYS  13  -8.448 -10.711   4.955
   84   1HG   LYS  13          2HG       LYS  13  -8.451  -8.019   4.683
   85   2HG   LYS  13          1HG       LYS  13  -7.473  -8.499   3.294
   86   1HD   LYS  13          2HD       LYS  13  -9.597  -8.566   2.402
   87   2HD   LYS  13          1HD       LYS  13  -9.385 -10.240   2.919
   88   1HE   LYS  13          2HE       LYS  13 -10.620  -9.789   4.961
   89   2HE   LYS  13          1HE       LYS  13 -10.776  -8.091   4.515
   90   1HZ   LYS  13          1HZ       LYS  13 -12.350  -8.548   2.957
   91   2HZ   LYS  13          2HZ       LYS  13 -12.675  -9.815   4.029
   92   3HZ   LYS  13          3HZ       LYS  13 -11.765 -10.103   2.633
   93    H    CYS  14           H        CYS  14  -7.271  -7.191   6.952
   94    HA   CYS  14           HA       CYS  14  -9.553  -7.664   8.700
   95   1HB   CYS  14          2HB       CYS  14  -7.626  -5.385   8.365
   96   2HB   CYS  14          1HB       CYS  14  -9.094  -5.207   9.323
   97    H    SER  15           H        SER  15  -8.659  -5.800   5.833
   98    HA   SER  15           HA       SER  15 -11.485  -5.540   5.212
   99   1HB   SER  15          2HB       SER  15 -10.465  -3.452   6.481
  100   2HB   SER  15          1HB       SER  15  -9.933  -3.028   4.859
  101    HG   SER  15           HG       SER  15 -12.588  -3.581   5.696
  102    H    VAL  16           H        VAL  16 -11.945  -5.524   3.141
  103    HA   VAL  16           HA       VAL  16  -9.942  -6.324   1.275
  104    HB   VAL  16           HB       VAL  16 -12.210  -7.303   1.247
  105   1HG1  VAL  16          1HG1      VAL  16 -13.288  -4.887  -0.113
  106   2HG1  VAL  16          2HG1      VAL  16 -13.211  -4.894   1.649
  107   3HG1  VAL  16          3HG1      VAL  16 -14.129  -6.138   0.802
  108   1HG2  VAL  16          1HG2      VAL  16 -12.265  -7.597  -1.042
  109   2HG2  VAL  16          2HG2      VAL  16 -10.616  -7.019  -0.802
  110   3HG2  VAL  16          3HG2      VAL  16 -11.865  -5.912  -1.377
  111    H    ASN  17           H        ASN  17  -8.616  -4.804   0.624
  112    HA   ASN  17           HA       ASN  17  -9.737  -2.518  -0.825
  113   1HB   ASN  17          2HB       ASN  17  -7.907  -2.397   1.538
  114   2HB   ASN  17          1HB       ASN  17  -7.717  -1.207   0.250
  115   1HD2  ASN  17          1HD2      ASN  17  -9.072   0.475   0.166
  116   2HD2  ASN  17          2HD2      ASN  17 -10.437   0.696   1.200
  117    H    TRP  18           H        TRP  18  -9.000  -2.777  -2.828
  118    HA   TRP  18           HA       TRP  18  -6.808  -4.349  -3.564
  119   1HB   TRP  18          2HB       TRP  18  -8.814  -2.957  -4.921
  120   2HB   TRP  18          1HB       TRP  18  -7.320  -2.203  -5.478
  121    HD1  TRP  18           HD       TRP  18  -5.392  -4.074  -6.365
  122    HE1  TRP  18          1HE       TRP  18  -5.776  -6.194  -7.772
  123    HE3  TRP  18          3HE       TRP  18 -10.404  -4.691  -5.555
  124    HZ2  TRP  18          2HZ       TRP  18  -7.917  -7.898  -8.452
  125    HZ3  TRP  18          3HZ       TRP  18 -11.544  -6.592  -6.624
  126    HH2  TRP  18           HH       TRP  18 -10.324  -8.161  -8.042
  127    H    GLY  19           H        GLY  19  -7.088  -0.804  -3.327
  128   1HA   GLY  19          2HA       GLY  19  -4.530  -0.070  -4.057
  129   2HA   GLY  19          1HA       GLY  19  -5.510   0.805  -2.890
  130    H    GLN  20           H        GLN  20  -5.637  -0.866  -0.760
  131    HA   GLN  20           HA       GLN  20  -3.143  -0.473   0.469
  132   1HB   GLN  20          2HB       GLN  20  -5.705  -1.757   1.215
  133   2HB   GLN  20          1HB       GLN  20  -4.289  -2.259   2.130
  134   1HG   GLN  20          2HG       GLN  20  -5.099  -0.506   3.387
  135   2HG   GLN  20          1HG       GLN  20  -3.861   0.274   2.404
  136   1HE2  GLN  20          1HE2      GLN  20  -4.448   2.131   1.554
  137   2HE2  GLN  20          2HE2      GLN  20  -6.057   2.601   1.133
  138    H    ALA  21           H        ALA  21  -4.706  -3.548  -0.476
  139    HA   ALA  21           HA       ALA  21  -2.620  -5.260   0.209
  140   1HB   ALA  21          1HB       ALA  21  -3.708  -6.908  -1.035
  141   2HB   ALA  21          2HB       ALA  21  -4.349  -5.744  -2.194
  142   3HB   ALA  21          3HB       ALA  21  -5.007  -5.812  -0.559
  143    H    PHE  22           H        PHE  22  -3.335  -4.102  -3.096
  144    HA   PHE  22           HA       PHE  22  -1.098  -5.127  -4.333
  145   1HB   PHE  22          2HB       PHE  22  -2.997  -3.949  -5.506
  146   2HB   PHE  22          1HB       PHE  22  -2.259  -2.419  -5.026
  147    HD1  PHE  22          1HD       PHE  22  -1.076  -1.391  -6.636
  148    HD2  PHE  22          2HD       PHE  22  -1.082  -5.636  -6.511
  149    HE1  PHE  22          1HE       PHE  22   0.472  -1.439  -8.523
  150    HE2  PHE  22          2HE       PHE  22   0.467  -5.697  -8.404
  151    HZ   PHE  22           HZ       PHE  22   1.246  -3.596  -9.432
  152    H    GLN  23           H        GLN  23  -1.317  -2.152  -2.426
  153    HA   GLN  23           HA       GLN  23   1.279  -1.244  -3.283
  154   1HB   GLN  23          2HB       GLN  23  -0.684   0.207  -2.442
  155   2HB   GLN  23          1HB       GLN  23  -0.161  -0.258  -0.828
  156   1HG   GLN  23          2HG       GLN  23   1.952   0.793  -1.128
  157   2HG   GLN  23          1HG       GLN  23   1.648   1.049  -2.846
  158   1HE2  GLN  23          1HE2      GLN  23   0.672   1.975   0.393
  159   2HE2  GLN  23          2HE2      GLN  23   0.006   3.509  -0.038
  160    H    GLU  24           H        GLU  24  -0.056  -2.884  -0.476
  161    HA   GLU  24           HA       GLU  24   2.312  -2.883   1.079
  162   1HB   GLU  24          2HB       GLU  24  -0.307  -4.265   1.131
  163   2HB   GLU  24          1HB       GLU  24   1.014  -5.131   1.898
  164   1HG   GLU  24          2HG       GLU  24   1.231  -3.607   3.573
  165   2HG   GLU  24          1HG       GLU  24   0.650  -2.271   2.583
  166    H    ARG  25           H        ARG  25   1.062  -4.817  -1.503
  167    HA   ARG  25           HA       ARG  25   2.930  -6.970  -1.256
  168   1HB   ARG  25          2HB       ARG  25   0.499  -6.605  -2.470
  169   2HB   ARG  25          1HB       ARG  25   1.594  -6.547  -3.844
  170   1HG   ARG  25          2HG       ARG  25   1.659  -8.757  -1.814
  171   2HG   ARG  25          1HG       ARG  25   0.638  -8.805  -3.252
  172   1HD   ARG  25          2HD       ARG  25   2.548  -8.695  -4.692
  173   2HD   ARG  25          1HD       ARG  25   3.622  -8.395  -3.327
  174    HE   ARG  25           HE       ARG  25   2.317 -10.843  -2.922
  175   1HH1  ARG  25          1HH1      ARG  25   4.699  -9.409  -5.031
  176   2HH1  ARG  25          2HH1      ARG  25   5.517 -10.905  -5.331
  177   1HH2  ARG  25          1HH2      ARG  25   3.395 -12.815  -3.317
  178   2HH2  ARG  25          2HH2      ARG  25   4.778 -12.838  -4.359
  179    H    TYR  26           H        TYR  26   2.437  -4.418  -3.712
  180    HA   TYR  26           HA       TYR  26   4.907  -5.002  -5.023
  181   1HB   TYR  26          2HB       TYR  26   4.154  -3.664  -6.670
  182   2HB   TYR  26          1HB       TYR  26   2.636  -3.885  -5.826
  183    HD1  TYR  26          1HD       TYR  26   1.529  -2.080  -4.852
  184    HD2  TYR  26          2HD       TYR  26   5.400  -1.506  -6.403
  185    HE1  TYR  26          1HE       TYR  26   1.160   0.326  -4.728
  186    HE2  TYR  26          2HE       TYR  26   5.092   0.918  -6.257
  187    HH   TYR  26           HH       TYR  26   2.393   2.359  -4.656
  188    H    THR  27           H        THR  27   3.900  -2.038  -3.215
  189    HA   THR  27           HA       THR  27   6.346  -0.754  -3.288
  190    HB   THR  27           HB       THR  27   4.684  -0.675  -0.791
  191    HG1  THR  27          1HG       THR  27   3.732   1.070  -2.563
  192   1HG2  THR  27          1HG2      THR  27   6.733   0.950  -1.869
  193   2HG2  THR  27          2HG2      THR  27   5.810   1.179  -0.385
  194   3HG2  THR  27          3HG2      THR  27   5.235   1.880  -1.896
  195    H    ALA  28           H        ALA  28   5.329  -3.406  -1.248
  196    HA   ALA  28           HA       ALA  28   7.438  -3.331   0.613
  197   1HB   ALA  28          1HB       ALA  28   5.621  -5.509  -0.354
  198   2HB   ALA  28          2HB       ALA  28   5.646  -4.697   1.211
  199   3HB   ALA  28          3HB       ALA  28   6.916  -5.846   0.793
  200    H    GLY  29           H        GLY  29   7.065  -5.325  -2.324
  201   1HA   GLY  29          2HA       GLY  29   9.732  -6.344  -2.197
  202   2HA   GLY  29          1HA       GLY  29   8.628  -6.484  -3.560
  203    H    ILE  30           H        ILE  30   8.203  -3.665  -3.889
  204    HA   ILE  30           HA       ILE  30  10.403  -3.072  -5.593
  205    HB   ILE  30           HB       ILE  30   8.089  -1.338  -4.712
  206   1HG1  ILE  30          2HG1      ILE  30   7.462  -3.369  -5.975
  207   2HG1  ILE  30          1HG1      ILE  30   7.131  -1.898  -6.881
  208   1HG2  ILE  30          1HG2      ILE  30  10.047  -0.896  -6.964
  209   2HG2  ILE  30          2HG2      ILE  30   9.983   0.022  -5.460
  210   3HG2  ILE  30          3HG2      ILE  30   8.639   0.101  -6.599
  211   1HD1  ILE  30          1HD1      ILE  30   8.053  -3.552  -8.346
  212   2HD1  ILE  30          2HD1      ILE  30   9.444  -3.773  -7.284
  213   3HD1  ILE  30          3HD1      ILE  30   9.221  -2.246  -8.139
  214    H    ASN  31           H        ASN  31   9.424  -1.984  -2.372
  215    HA   ASN  31           HA       ASN  31  11.202   0.184  -2.158
  216   1HB   ASN  31          2HB       ASN  31   9.355  -0.228  -0.549
  217   2HB   ASN  31          1HB       ASN  31  10.234  -1.624   0.080
  218   1HD2  ASN  31          1HD2      ASN  31   9.799   1.730   0.240
  219   2HD2  ASN  31          2HD2      ASN  31  11.074   2.084   1.351
  220    H    SER  32           H        SER  32  11.535  -3.211  -1.152
  221    HA   SER  32           HA       SER  32  14.135  -3.034  -0.161
  222   1HB   SER  32          2HB       SER  32  14.248  -5.478  -0.489
  223   2HB   SER  32          1HB       SER  32  12.701  -4.994   0.207
  224    HG   SER  32           HG       SER  32  13.235  -5.656  -2.498
  225    H    PHE  33           H        PHE  33  13.007  -3.696  -3.453
  226    HA   PHE  33           HA       PHE  33  15.427  -4.312  -4.652
  227   1HB   PHE  33          2HB       PHE  33  14.057  -4.471  -6.418
  228   2HB   PHE  33          1HB       PHE  33  12.781  -3.692  -5.498
  229    HD1  PHE  33          1HD       PHE  33  11.861  -1.736  -6.322
  230    HD2  PHE  33          2HD       PHE  33  15.769  -2.842  -7.560
  231    HE1  PHE  33          1HE       PHE  33  11.889   0.140  -7.890
  232    HE2  PHE  33          2HE       PHE  33  15.797  -0.968  -9.144
  233    HZ   PHE  33           HZ       PHE  33  13.854   0.528  -9.310
  234    H    VAL  34           H        VAL  34  14.049  -1.170  -3.869
  235    HA   VAL  34           HA       VAL  34  15.874   0.498  -5.203
  236    HB   VAL  34           HB       VAL  34  14.697   1.208  -2.540
  237   1HG1  VAL  34          1HG1      VAL  34  14.527   3.432  -3.639
  238   2HG1  VAL  34          2HG1      VAL  34  15.372   2.754  -5.030
  239   3HG1  VAL  34          3HG1      VAL  34  16.176   2.832  -3.464
  240   1HG2  VAL  34          1HG2      VAL  34  12.954   2.015  -4.641
  241   2HG2  VAL  34          2HG2      VAL  34  12.617   0.968  -3.263
  242   3HG2  VAL  34          3HG2      VAL  34  13.207   0.275  -4.764
  243    H    SER  35           H        SER  35  15.862  -0.349  -1.764
  244    HA   SER  35           HA       SER  35  18.303   0.784  -1.113
  245   1HB   SER  35          2HB       SER  35  17.359  -1.821   0.066
  246   2HB   SER  35          1HB       SER  35  18.300  -0.549   0.845
  247    HG   SER  35           HG       SER  35  16.506   0.413   1.348
  248    H    GLY  36           H        GLY  36  17.633  -2.443  -2.405
  249   1HA   GLY  36          2HA       GLY  36  20.233  -3.486  -2.249
  250   2HA   GLY  36          1HA       GLY  36  19.001  -4.001  -3.396
  251    H    VAL  37           H        VAL  37  18.638  -1.669  -4.855
  252    HA   VAL  37           HA       VAL  37  20.980  -1.742  -6.548
  253    HB   VAL  37           HB       VAL  37  19.728  -0.243  -8.027
  254   1HG1  VAL  37          1HG1      VAL  37  18.214  -1.816  -8.781
  255   2HG1  VAL  37          2HG1      VAL  37  17.761  -2.317  -7.154
  256   3HG1  VAL  37          3HG1      VAL  37  19.324  -2.792  -7.820
  257   1HG2  VAL  37          1HG2      VAL  37  17.470   0.480  -7.503
  258   2HG2  VAL  37          2HG2      VAL  37  18.604   1.096  -6.301
  259   3HG2  VAL  37          3HG2      VAL  37  17.572  -0.282  -5.917
  260    H    ALA  38           H        ALA  38  19.668   0.335  -4.094
  261    HA   ALA  38           HA       ALA  38  21.045   2.713  -4.847
  262   1HB   ALA  38          1HB       ALA  38  19.255   3.196  -3.522
  263   2HB   ALA  38          2HB       ALA  38  20.532   3.200  -2.306
  264   3HB   ALA  38          3HB       ALA  38  19.493   1.786  -2.491
  265    H    SER  39           H        SER  39  21.937  -0.123  -3.045
  266    HA   SER  39           HA       SER  39  24.042   0.922  -1.514
  267   1HB   SER  39          2HB       SER  39  24.879  -1.415  -1.440
  268   2HB   SER  39          1HB       SER  39  23.154  -1.300  -1.089
  269    HG   SER  39           HG       SER  39  24.136  -1.838  -3.686
  270    H    GLY  40           H        GLY  40  23.834   0.098  -4.887
  271   1HA   GLY  40          2HA       GLY  40  25.297   0.897  -6.540
  272   2HA   GLY  40          1HA       GLY  40  26.494   1.230  -5.299
  273    H    ALA  41           H        ALA  41  24.789  -1.825  -5.798
  274    HA   ALA  41           HA       ALA  41  27.039  -3.039  -7.136
  275   1HB   ALA  41          1HB       ALA  41  27.439  -4.741  -5.391
  276   2HB   ALA  41          2HB       ALA  41  26.371  -3.848  -4.309
  277   3HB   ALA  41          3HB       ALA  41  27.872  -3.112  -4.873
  278    H    GLY  42           H        GLY  42  24.504  -4.328  -4.977
  279   1HA   GLY  42          2HA       GLY  42  22.449  -4.992  -6.479
  280   2HA   GLY  42          1HA       GLY  42  23.643  -6.094  -7.153
  281    H    SER  43           H        SER  43  21.717  -5.306  -4.347
  282    HA   SER  43           HA       SER  43  22.682  -7.257  -2.586
  283   1HB   SER  43          2HB       SER  43  20.048  -5.826  -2.823
  284   2HB   SER  43          1HB       SER  43  20.292  -7.076  -1.605
  285    HG   SER  43           HG       SER  43  21.282  -5.630  -0.470
  286    H    ILE  44           H        ILE  44  19.552  -7.434  -4.288
  287    HA   ILE  44           HA       ILE  44  19.208 -10.174  -3.864
  288    HB   ILE  44           HB       ILE  44  17.696  -9.979  -6.003
  289   1HG1  ILE  44          2HG1      ILE  44  17.312  -7.154  -5.404
  290   2HG1  ILE  44          1HG1      ILE  44  18.901  -7.467  -6.091
  291   1HG2  ILE  44          1HG2      ILE  44  16.831 -10.258  -3.783
  292   2HG2  ILE  44          2HG2      ILE  44  15.917  -8.987  -4.594
  293   3HG2  ILE  44          3HG2      ILE  44  17.145  -8.565  -3.401
  294   1HD1  ILE  44          1HD1      ILE  44  18.014  -8.275  -8.079
  295   2HD1  ILE  44          2HD1      ILE  44  16.970  -6.913  -7.673
  296   3HD1  ILE  44          3HD1      ILE  44  16.427  -8.562  -7.365
  297    H    GLY  45           H        GLY  45  19.924  -8.695  -7.038
  298   1HA   GLY  45          2HA       GLY  45  21.085  -9.514  -8.840
  299   2HA   GLY  45          1HA       GLY  45  22.162 -10.214  -7.646
  300    H    ARG  46           H        ARG  46  18.821 -11.151  -7.708
  301    HA   ARG  46           HA       ARG  46  19.647 -13.840  -8.488
  302   1HB   ARG  46          2HB       ARG  46  18.119 -13.120  -6.432
  303   2HB   ARG  46          1HB       ARG  46  16.854 -13.229  -7.646
  304   1HG   ARG  46          2HG       ARG  46  16.904 -15.464  -7.674
  305   2HG   ARG  46          1HG       ARG  46  18.666 -15.523  -7.610
  306   1HD   ARG  46          2HD       ARG  46  18.696 -15.764  -5.379
  307   2HD   ARG  46          1HD       ARG  46  17.408 -14.585  -5.139
  308    HE   ARG  46           HE       ARG  46  17.130 -17.445  -5.377
  309   1HH1  ARG  46          1HH1      ARG  46  15.511 -14.361  -5.608
  310   2HH1  ARG  46          2HH1      ARG  46  13.936 -15.028  -5.343
  311   1HH2  ARG  46          1HH2      ARG  46  15.057 -18.323  -5.032
  312   2HH2  ARG  46          2HH2      ARG  46  13.678 -17.277  -5.016
  313    H    ARG  47           H        ARG  47  17.148 -11.445  -9.285
  314    HA   ARG  47           HA       ARG  47  17.080 -12.520 -12.013
  315   1HB   ARG  47          2HB       ARG  47  14.570 -11.737 -10.532
  316   2HB   ARG  47          1HB       ARG  47  14.692 -12.505 -12.108
  317   1HG   ARG  47          2HG       ARG  47  15.946 -14.350 -10.647
  318   2HG   ARG  47          1HG       ARG  47  14.886 -13.676  -9.405
  319   1HD   ARG  47          2HD       ARG  47  13.028 -14.522 -10.355
  320   2HD   ARG  47          1HD       ARG  47  13.602 -14.216 -11.994
  321    HE   ARG  47           HE       ARG  47  15.158 -16.270 -11.129
  322   1HH1  ARG  47          1HH1      ARG  47  11.712 -15.756 -11.324
  323   2HH1  ARG  47          2HH1      ARG  47  11.349 -17.434 -11.547
  324   1HH2  ARG  47          1HH2      ARG  47  14.683 -18.477 -11.420
  325   2HH2  ARG  47          2HH2      ARG  47  13.035 -18.979 -11.600
  326    HA   PRO  48           HA       PRO  48  17.280  -8.300 -13.242
  327   1HB   PRO  48          2HB       PRO  48  15.824  -8.301 -15.541
  328   2HB   PRO  48          1HB       PRO  48  17.443  -9.000 -15.425
  329   1HG   PRO  48          2HG       PRO  48  14.777 -10.360 -15.326
  330   2HG   PRO  48          1HG       PRO  48  16.256 -10.854 -16.171
  331   1HD   PRO  48          2HD       PRO  48  15.498 -11.943 -13.816
  332   2HD   PRO  48          1HD       PRO  48  17.207 -11.731 -14.261
  Start of MODEL   12
    1    H    VAL   1           H        VAL   1 -17.684 -16.987  -1.630
    2    HA   VAL   1           HA       VAL   1 -17.055 -18.972  -0.275
    3    HB   VAL   1           HB       VAL   1 -18.522 -18.553   1.637
    4   1HG1  VAL   1          1HG1      VAL   1 -16.935 -16.826   1.401
    5   2HG1  VAL   1          2HG1      VAL   1 -17.692 -16.207  -0.087
    6   3HG1  VAL   1          3HG1      VAL   1 -18.477 -15.942   1.489
    7   1HG2  VAL   1          1HG2      VAL   1 -20.511 -17.088   1.367
    8   2HG2  VAL   1          2HG2      VAL   1 -20.251 -17.075  -0.394
    9   3HG2  VAL   1          3HG2      VAL   1 -20.674 -18.594   0.431
   10    H    ASN   2           H        ASN   2 -18.136 -20.842   0.967
   11    HA   ASN   2           HA       ASN   2 -20.438 -22.027  -0.257
   12   1HB   ASN   2          2HB       ASN   2 -18.102 -22.518  -1.592
   13   2HB   ASN   2          1HB       ASN   2 -18.211 -23.911  -0.524
   14   1HD2  ASN   2          1HD2      ASN   2 -18.494 -25.194  -2.394
   15   2HD2  ASN   2          2HD2      ASN   2 -20.030 -25.286  -3.179
   16    H    TYR   3           H        TYR   3 -19.358 -21.332   2.438
   17    HA   TYR   3           HA       TYR   3 -18.868 -23.849   3.750
   18   1HB   TYR   3          2HB       TYR   3 -19.444 -21.158   5.038
   19   2HB   TYR   3          1HB       TYR   3 -18.604 -22.538   5.757
   20    HD1  TYR   3          1HD       TYR   3 -16.398 -23.274   4.683
   21    HD2  TYR   3          2HD       TYR   3 -18.233 -19.534   3.841
   22    HE1  TYR   3          1HE       TYR   3 -14.281 -22.449   3.756
   23    HE2  TYR   3          2HE       TYR   3 -16.120 -18.695   2.918
   24    HH   TYR   3           HH       TYR   3 -13.194 -20.129   3.414
   25    H    GLY   4           H        GLY   4 -20.231 -24.225   5.896
   26   1HA   GLY   4          2HA       GLY   4 -23.103 -24.117   5.117
   27   2HA   GLY   4          1HA       GLY   4 -22.354 -25.523   5.857
   28    H    ASN   5           H        ASN   5 -20.828 -24.084   7.813
   29    HA   ASN   5           HA       ASN   5 -22.592 -22.458   9.365
   30   1HB   ASN   5          2HB       ASN   5 -22.178 -25.347  10.110
   31   2HB   ASN   5          1HB       ASN   5 -22.536 -24.130  11.332
   32   1HD2  ASN   5          1HD2      ASN   5 -24.038 -26.473  10.293
   33   2HD2  ASN   5          2HD2      ASN   5 -25.588 -25.853   9.848
   34    H    GLY   6           H        GLY   6 -20.338 -21.637   8.578
   35   1HA   GLY   6          2HA       GLY   6 -18.735 -21.366  10.954
   36   2HA   GLY   6          1HA       GLY   6 -17.916 -22.208   9.639
   37    H    VAL   7           H        VAL   7 -18.338 -21.034   7.432
   38    HA   VAL   7           HA       VAL   7 -17.672 -19.312   6.153
   39    HB   VAL   7           HB       VAL   7 -18.793 -17.103   6.608
   40   1HG1  VAL   7          1HG1      VAL   7 -20.424 -19.617   6.330
   41   2HG1  VAL   7          2HG1      VAL   7 -19.725 -18.639   5.041
   42   3HG1  VAL   7          3HG1      VAL   7 -21.044 -17.996   6.018
   43   1HG2  VAL   7          1HG2      VAL   7 -20.309 -18.642   8.708
   44   2HG2  VAL   7          2HG2      VAL   7 -20.517 -16.953   8.247
   45   3HG2  VAL   7          3HG2      VAL   7 -19.046 -17.466   9.071
   46    H    SER   8           H        SER   8 -15.498 -19.337   6.591
   47    HA   SER   8           HA       SER   8 -14.552 -17.010   8.081
   48   1HB   SER   8          2HB       SER   8 -14.277 -18.571   9.805
   49   2HB   SER   8          1HB       SER   8 -13.808 -19.860   8.694
   50    HG   SER   8           HG       SER   8 -12.279 -17.537   9.263
   51    H    CYS   9           H        CYS   9 -14.038 -16.149   6.054
   52    HA   CYS   9           HA       CYS   9 -12.461 -17.446   4.117
   53   1HB   CYS   9          2HB       CYS   9 -13.205 -14.613   4.703
   54   2HB   CYS   9          1HB       CYS   9 -11.899 -14.918   3.562
   55    H    SER  10           H        SER  10 -10.459 -18.147   4.362
   56    HA   SER  10           HA       SER  10  -8.341 -16.476   5.167
   57   1HB   SER  10          2HB       SER  10  -7.752 -18.052   7.195
   58   2HB   SER  10          1HB       SER  10  -8.832 -16.673   7.403
   59    HG   SER  10           HG       SER  10  -9.409 -19.405   7.364
   60    H    LYS  11           H        LYS  11  -9.492 -19.795   4.807
   61    HA   LYS  11           HA       LYS  11  -6.884 -20.836   4.198
   62   1HB   LYS  11          2HB       LYS  11  -8.774 -22.178   5.200
   63   2HB   LYS  11          1HB       LYS  11  -9.557 -22.122   3.629
   64   1HG   LYS  11          2HG       LYS  11  -7.381 -23.148   2.734
   65   2HG   LYS  11          1HG       LYS  11  -7.038 -23.528   4.421
   66   1HD   LYS  11          2HD       LYS  11  -9.525 -24.359   2.925
   67   2HD   LYS  11          1HD       LYS  11  -8.127 -25.393   3.230
   68   1HE   LYS  11          2HE       LYS  11  -8.519 -25.436   5.539
   69   2HE   LYS  11          1HE       LYS  11  -9.593 -24.039   5.469
   70   1HZ   LYS  11          1HZ       LYS  11 -10.155 -26.841   4.913
   71   2HZ   LYS  11          2HZ       LYS  11 -10.921 -25.712   3.914
   72   3HZ   LYS  11          3HZ       LYS  11 -11.148 -25.650   5.588
   73    H    THR  12           H        THR  12  -9.836 -20.200   2.320
   74    HA   THR  12           HA       THR  12  -8.390 -20.593  -0.168
   75    HB   THR  12           HB       THR  12 -10.609 -20.189  -1.225
   76    HG1  THR  12          1HG       THR  12 -11.560 -18.832   0.255
   77   1HG2  THR  12          1HG2      THR  12 -11.824 -22.127  -0.287
   78   2HG2  THR  12          2HG2      THR  12 -10.611 -22.223   0.989
   79   3HG2  THR  12          3HG2      THR  12 -10.144 -22.472  -0.695
   80    H    LYS  13           H        LYS  13  -9.434 -18.782  -1.882
   81    HA   LYS  13           HA       LYS  13  -8.056 -16.364  -1.124
   82   1HB   LYS  13          2HB       LYS  13  -8.706 -15.627  -3.443
   83   2HB   LYS  13          1HB       LYS  13  -7.746 -17.100  -3.373
   84   1HG   LYS  13          2HG       LYS  13  -9.468 -18.424  -4.078
   85   2HG   LYS  13          1HG       LYS  13 -10.707 -17.357  -3.416
   86   1HD   LYS  13          2HD       LYS  13 -10.416 -15.796  -5.208
   87   2HD   LYS  13          1HD       LYS  13  -8.997 -16.663  -5.799
   88   1HE   LYS  13          2HE       LYS  13 -11.842 -17.661  -5.772
   89   2HE   LYS  13          1HE       LYS  13 -10.912 -17.174  -7.188
   90   1HZ   LYS  13          1HZ       LYS  13 -10.830 -19.507  -7.118
   91   2HZ   LYS  13          2HZ       LYS  13 -10.493 -19.543  -5.461
   92   3HZ   LYS  13          3HZ       LYS  13  -9.319 -19.001  -6.551
   93    H    CYS  14           H        CYS  14  -8.964 -14.608  -0.218
   94    HA   CYS  14           HA       CYS  14 -11.701 -13.897  -0.854
   95   1HB   CYS  14          2HB       CYS  14 -11.368 -15.542   1.273
   96   2HB   CYS  14          1HB       CYS  14 -11.242 -13.962   2.048
   97    H    SER  15           H        SER  15 -11.450 -11.858  -1.427
   98    HA   SER  15           HA       SER  15 -10.823  -9.841   0.441
   99   1HB   SER  15          2HB       SER  15  -8.806  -8.919  -0.782
  100   2HB   SER  15          1HB       SER  15  -8.506 -10.388   0.145
  101    HG   SER  15           HG       SER  15  -7.613 -10.794  -1.793
  102    H    VAL  16           H        VAL  16 -10.218  -7.709  -1.020
  103    HA   VAL  16           HA       VAL  16 -11.489  -7.655  -3.557
  104    HB   VAL  16           HB       VAL  16 -13.470  -7.781  -2.114
  105   1HG1  VAL  16          1HG1      VAL  16 -12.491  -5.167  -0.988
  106   2HG1  VAL  16          2HG1      VAL  16 -12.506  -6.720  -0.146
  107   3HG1  VAL  16          3HG1      VAL  16 -14.024  -5.957  -0.620
  108   1HG2  VAL  16          1HG2      VAL  16 -13.477  -4.990  -3.144
  109   2HG2  VAL  16          2HG2      VAL  16 -14.674  -6.272  -3.333
  110   3HG2  VAL  16          3HG2      VAL  16 -13.187  -6.310  -4.279
  111    H    ASN  17           H        ASN  17 -10.506  -5.770  -0.726
  112    HA   ASN  17           HA       ASN  17 -10.060  -3.333  -2.085
  113   1HB   ASN  17          2HB       ASN  17  -9.767  -4.293   0.566
  114   2HB   ASN  17          1HB       ASN  17  -8.223  -3.587   0.091
  115   1HD2  ASN  17          1HD2      ASN  17 -11.661  -2.972   0.431
  116   2HD2  ASN  17          2HD2      ASN  17 -11.532  -1.255   0.562
  117    H    TRP  18           H        TRP  18  -8.955  -3.706  -3.921
  118    HA   TRP  18           HA       TRP  18  -6.605  -5.238  -4.123
  119   1HB   TRP  18          2HB       TRP  18  -8.331  -4.109  -5.921
  120   2HB   TRP  18          1HB       TRP  18  -6.914  -3.080  -6.110
  121    HD1  TRP  18           HD       TRP  18  -4.592  -4.360  -6.804
  122    HE1  TRP  18          1HE       TRP  18  -4.222  -6.496  -8.184
  123    HE3  TRP  18          3HE       TRP  18  -9.320  -6.312  -6.587
  124    HZ2  TRP  18          2HZ       TRP  18  -5.722  -8.707  -9.070
  125    HZ3  TRP  18          3HZ       TRP  18  -9.765  -8.441  -7.740
  126    HH2  TRP  18           HH       TRP  18  -8.001  -9.612  -8.955
  127    H    GLY  19           H        GLY  19  -7.136  -1.749  -3.729
  128   1HA   GLY  19          2HA       GLY  19  -4.567  -0.788  -4.060
  129   2HA   GLY  19          1HA       GLY  19  -5.763  -0.068  -2.996
  130    H    GLN  20           H        GLN  20  -6.022  -1.534  -0.877
  131    HA   GLN  20           HA       GLN  20  -3.746  -1.109   0.634
  132   1HB   GLN  20          2HB       GLN  20  -6.234  -1.730   1.314
  133   2HB   GLN  20          1HB       GLN  20  -5.548  -3.344   1.450
  134   1HG   GLN  20          2HG       GLN  20  -5.287  -2.570   3.588
  135   2HG   GLN  20          1HG       GLN  20  -3.728  -2.146   2.882
  136   1HE2  GLN  20          1HE2      GLN  20  -4.922  -0.942   5.168
  137   2HE2  GLN  20          2HE2      GLN  20  -5.190   0.724   4.799
  138    H    ALA  21           H        ALA  21  -4.777  -4.114  -0.941
  139    HA   ALA  21           HA       ALA  21  -2.655  -5.715   0.062
  140   1HB   ALA  21          1HB       ALA  21  -4.270  -6.115  -2.453
  141   2HB   ALA  21          2HB       ALA  21  -4.764  -6.626  -0.839
  142   3HB   ALA  21          3HB       ALA  21  -3.337  -7.339  -1.591
  143    H    PHE  22           H        PHE  22  -3.151  -4.477  -3.250
  144    HA   PHE  22           HA       PHE  22  -0.686  -5.195  -4.261
  145   1HB   PHE  22          2HB       PHE  22  -2.613  -4.222  -5.593
  146   2HB   PHE  22          1HB       PHE  22  -2.077  -2.628  -5.055
  147    HD1  PHE  22          1HD       PHE  22  -0.885  -1.483  -6.550
  148    HD2  PHE  22          2HD       PHE  22  -0.454  -5.699  -6.408
  149    HE1  PHE  22          1HE       PHE  22   0.831  -1.354  -8.274
  150    HE2  PHE  22          2HE       PHE  22   1.267  -5.590  -8.135
  151    HZ   PHE  22           HZ       PHE  22   1.915  -3.409  -9.096
  152    H    GLN  23           H        GLN  23  -1.416  -2.389  -2.243
  153    HA   GLN  23           HA       GLN  23   1.022  -1.047  -2.959
  154   1HB   GLN  23          2HB       GLN  23  -1.097   0.078  -2.126
  155   2HB   GLN  23          1HB       GLN  23  -0.658  -0.483  -0.518
  156   1HG   GLN  23          2HG       GLN  23   1.437   0.761  -0.647
  157   2HG   GLN  23          1HG       GLN  23   1.007   1.321  -2.262
  158   1HE2  GLN  23          1HE2      GLN  23   1.348   3.433  -1.238
  159   2HE2  GLN  23          2HE2      GLN  23   0.026   4.166  -0.400
  160    H    GLU  24           H        GLU  24  -0.030  -3.120  -0.323
  161    HA   GLU  24           HA       GLU  24   2.354  -2.776   1.227
  162   1HB   GLU  24          2HB       GLU  24  -0.050  -3.600   1.924
  163   2HB   GLU  24          1HB       GLU  24   0.584  -5.178   1.479
  164   1HG   GLU  24          2HG       GLU  24   1.748  -3.316   3.534
  165   2HG   GLU  24          1HG       GLU  24   0.808  -4.769   3.860
  166    H    ARG  25           H        ARG  25   1.214  -4.940  -1.241
  167    HA   ARG  25           HA       ARG  25   3.321  -6.862  -1.023
  168   1HB   ARG  25          2HB       ARG  25   0.837  -6.724  -2.250
  169   2HB   ARG  25          1HB       ARG  25   1.950  -6.655  -3.606
  170   1HG   ARG  25          2HG       ARG  25   3.068  -8.702  -2.488
  171   2HG   ARG  25          1HG       ARG  25   1.547  -8.839  -1.606
  172   1HD   ARG  25          2HD       ARG  25   0.544  -9.753  -3.367
  173   2HD   ARG  25          1HD       ARG  25   1.035  -8.413  -4.401
  174    HE   ARG  25           HE       ARG  25   2.289 -11.003  -4.186
  175   1HH1  ARG  25          1HH1      ARG  25   2.687  -7.679  -5.173
  176   2HH1  ARG  25          2HH1      ARG  25   3.975  -8.030  -6.274
  177   1HH2  ARG  25          1HH2      ARG  25   3.981 -11.466  -5.637
  178   2HH2  ARG  25          2HH2      ARG  25   4.711 -10.178  -6.538
  179    H    TYR  26           H        TYR  26   2.452  -4.463  -3.481
  180    HA   TYR  26           HA       TYR  26   4.798  -4.735  -4.999
  181   1HB   TYR  26          2HB       TYR  26   3.677  -3.491  -6.450
  182   2HB   TYR  26          1HB       TYR  26   2.356  -3.599  -5.300
  183    HD1  TYR  26          1HD       TYR  26   5.267  -1.448  -6.138
  184    HD2  TYR  26          2HD       TYR  26   1.369  -1.643  -4.551
  185    HE1  TYR  26          1HE       TYR  26   5.158   0.983  -6.067
  186    HE2  TYR  26          2HE       TYR  26   1.215   0.770  -4.476
  187    HH   TYR  26           HH       TYR  26   2.850   2.754  -6.074
  188    H    THR  27           H        THR  27   3.865  -1.937  -2.921
  189    HA   THR  27           HA       THR  27   6.260  -0.557  -3.195
  190    HB   THR  27           HB       THR  27   4.727  -0.588  -0.606
  191    HG1  THR  27          1HG       THR  27   3.180   0.662  -1.523
  192   1HG2  THR  27          1HG2      THR  27   5.091   1.978  -1.100
  193   2HG2  THR  27          2HG2      THR  27   6.463   1.352  -2.016
  194   3HG2  THR  27          3HG2      THR  27   6.316   0.996  -0.296
  195    H    ALA  28           H        ALA  28   5.464  -3.218  -1.042
  196    HA   ALA  28           HA       ALA  28   7.733  -3.099   0.601
  197   1HB   ALA  28          1HB       ALA  28   7.317  -5.608   0.849
  198   2HB   ALA  28          2HB       ALA  28   5.950  -5.365  -0.237
  199   3HB   ALA  28          3HB       ALA  28   6.006  -4.522   1.310
  200    H    GLY  29           H        GLY  29   7.198  -4.665  -2.526
  201   1HA   GLY  29          2HA       GLY  29   9.873  -5.780  -2.606
  202   2HA   GLY  29          1HA       GLY  29   8.666  -5.853  -3.881
  203    H    ILE  30           H        ILE  30   8.127  -3.219  -4.356
  204    HA   ILE  30           HA       ILE  30  10.273  -2.467  -6.010
  205    HB   ILE  30           HB       ILE  30   7.895  -0.842  -5.090
  206   1HG1  ILE  30          2HG1      ILE  30   8.428  -2.642  -7.448
  207   2HG1  ILE  30          1HG1      ILE  30   7.103  -2.719  -6.292
  208   1HG2  ILE  30          1HG2      ILE  30   9.697   0.615  -5.859
  209   2HG2  ILE  30          2HG2      ILE  30   8.353   0.612  -7.002
  210   3HG2  ILE  30          3HG2      ILE  30   9.814  -0.310  -7.357
  211   1HD1  ILE  30          1HD1      ILE  30   5.957  -1.801  -7.990
  212   2HD1  ILE  30          2HD1      ILE  30   7.399  -1.111  -8.737
  213   3HD1  ILE  30          3HD1      ILE  30   6.641  -0.301  -7.364
  214    H    ASN  31           H        ASN  31   9.507  -1.727  -2.699
  215    HA   ASN  31           HA       ASN  31  11.216   0.577  -2.515
  216   1HB   ASN  31          2HB       ASN  31   9.295   0.198  -0.965
  217   2HB   ASN  31          1HB       ASN  31  10.166  -1.173  -0.271
  218   1HD2  ASN  31          1HD2      ASN  31   9.260   1.478   0.802
  219   2HD2  ASN  31          2HD2      ASN  31  10.673   2.150   1.538
  220    H    SER  32           H        SER  32  11.447  -2.777  -1.310
  221    HA   SER  32           HA       SER  32  14.071  -2.543  -0.340
  222   1HB   SER  32          2HB       SER  32  12.542  -4.368   0.314
  223   2HB   SER  32          1HB       SER  32  12.660  -5.045  -1.313
  224    HG   SER  32           HG       SER  32  14.120  -5.829   0.508
  225    H    PHE  33           H        PHE  33  12.829  -3.369  -3.522
  226    HA   PHE  33           HA       PHE  33  15.157  -4.400  -4.670
  227   1HB   PHE  33          2HB       PHE  33  13.630  -4.647  -6.296
  228   2HB   PHE  33          1HB       PHE  33  12.591  -3.418  -5.591
  229    HD1  PHE  33          1HD       PHE  33  15.432  -3.957  -7.892
  230    HD2  PHE  33          2HD       PHE  33  12.442  -1.263  -6.530
  231    HE1  PHE  33          1HE       PHE  33  15.938  -2.449  -9.768
  232    HE2  PHE  33          2HE       PHE  33  12.939   0.247  -8.402
  233    HZ   PHE  33           HZ       PHE  33  14.691  -0.343 -10.024
  234    H    VAL  34           H        VAL  34  14.140  -1.078  -4.124
  235    HA   VAL  34           HA       VAL  34  16.185   0.159  -5.679
  236    HB   VAL  34           HB       VAL  34  14.877   1.479  -3.329
  237   1HG1  VAL  34          1HG1      VAL  34  14.900   3.365  -5.093
  238   2HG1  VAL  34          2HG1      VAL  34  16.062   2.338  -5.933
  239   3HG1  VAL  34          3HG1      VAL  34  16.407   2.909  -4.301
  240   1HG2  VAL  34          1HG2      VAL  34  13.314   2.023  -5.597
  241   2HG2  VAL  34          2HG2      VAL  34  12.843   1.121  -4.156
  242   3HG2  VAL  34          3HG2      VAL  34  13.504   0.272  -5.550
  243    H    SER  35           H        SER  35  15.782   0.059  -2.153
  244    HA   SER  35           HA       SER  35  18.285   1.016  -1.479
  245   1HB   SER  35          2HB       SER  35  16.580  -1.017  -0.036
  246   2HB   SER  35          1HB       SER  35  17.990  -0.229   0.670
  247    HG   SER  35           HG       SER  35  15.492   0.681   0.512
  248    H    GLY  36           H        GLY  36  17.317  -2.273  -2.311
  249   1HA   GLY  36          2HA       GLY  36  19.694  -3.595  -1.599
  250   2HA   GLY  36          1HA       GLY  36  18.555  -4.141  -2.822
  251    H    VAL  37           H        VAL  37  18.703  -2.057  -4.628
  252    HA   VAL  37           HA       VAL  37  21.202  -2.665  -5.944
  253    HB   VAL  37           HB       VAL  37  20.333  -1.354  -7.808
  254   1HG1  VAL  37          1HG1      VAL  37  19.563  -3.529  -7.942
  255   2HG1  VAL  37          2HG1      VAL  37  18.070  -2.596  -8.040
  256   3HG1  VAL  37          3HG1      VAL  37  18.534  -3.364  -6.520
  257   1HG2  VAL  37          1HG2      VAL  37  19.216   0.369  -6.317
  258   2HG2  VAL  37          2HG2      VAL  37  17.873  -0.765  -6.178
  259   3HG2  VAL  37          3HG2      VAL  37  18.321  -0.119  -7.755
  260    H    ALA  38           H        ALA  38  19.838  -0.063  -4.084
  261    HA   ALA  38           HA       ALA  38  21.722   1.929  -4.947
  262   1HB   ALA  38          1HB       ALA  38  20.736   3.165  -2.929
  263   2HB   ALA  38          2HB       ALA  38  19.630   1.797  -2.805
  264   3HB   ALA  38          3HB       ALA  38  19.656   2.778  -4.270
  265    H    SER  39           H        SER  39  21.691  -0.566  -2.564
  266    HA   SER  39           HA       SER  39  23.669   0.624  -0.851
  267   1HB   SER  39          2HB       SER  39  23.602  -1.449   0.371
  268   2HB   SER  39          1HB       SER  39  21.950  -1.022  -0.070
  269    HG   SER  39           HG       SER  39  23.424  -3.196  -0.770
  270    H    GLY  40           H        GLY  40  23.675  -1.556  -3.593
  271   1HA   GLY  40          2HA       GLY  40  25.545  -1.833  -5.007
  272   2HA   GLY  40          1HA       GLY  40  26.592  -1.328  -3.691
  273    H    ALA  41           H        ALA  41  24.083  -3.747  -3.328
  274    HA   ALA  41           HA       ALA  41  24.145  -5.986  -2.914
  275   1HB   ALA  41          1HB       ALA  41  26.857  -5.909  -4.220
  276   2HB   ALA  41          2HB       ALA  41  25.322  -6.102  -5.066
  277   3HB   ALA  41          3HB       ALA  41  25.867  -7.340  -3.934
  278    H    GLY  42           H        GLY  42  25.765  -3.823  -1.265
  279   1HA   GLY  42          2HA       GLY  42  26.115  -5.118   1.072
  280   2HA   GLY  42          1HA       GLY  42  27.592  -5.519   0.211
  281    H    SER  43           H        SER  43  25.627  -2.576   0.746
  282    HA   SER  43           HA       SER  43  27.561  -1.250   2.283
  283   1HB   SER  43          2HB       SER  43  27.838  -0.981  -0.663
  284   2HB   SER  43          1HB       SER  43  27.990   0.498   0.286
  285    HG   SER  43           HG       SER  43  29.981  -0.205   0.460
  286    H    ILE  44           H        ILE  44  25.359  -1.055   3.205
  287    HA   ILE  44           HA       ILE  44  23.398   0.591   1.972
  288    HB   ILE  44           HB       ILE  44  23.674   0.074   4.930
  289   1HG1  ILE  44          2HG1      ILE  44  21.798  -1.710   3.920
  290   2HG1  ILE  44          1HG1      ILE  44  23.103  -1.769   2.741
  291   1HG2  ILE  44          1HG2      ILE  44  22.051   1.771   4.386
  292   2HG2  ILE  44          2HG2      ILE  44  21.211   0.301   4.880
  293   3HG2  ILE  44          3HG2      ILE  44  21.313   0.726   3.172
  294   1HD1  ILE  44          1HD1      ILE  44  23.174  -2.445   5.654
  295   2HD1  ILE  44          2HD1      ILE  44  24.648  -2.093   4.750
  296   3HD1  ILE  44          3HD1      ILE  44  23.618  -3.441   4.270
  297    H    GLY  45           H        GLY  45  25.885   1.218   4.435
  298   1HA   GLY  45          2HA       GLY  45  25.215   4.087   4.315
  299   2HA   GLY  45          1HA       GLY  45  26.119   3.301   5.597
  300    H    ARG  46           H        ARG  46  26.931   2.463   2.350
  301    HA   ARG  46           HA       ARG  46  28.839   2.748   1.149
  302   1HB   ARG  46          2HB       ARG  46  27.738   5.122   1.187
  303   2HB   ARG  46          1HB       ARG  46  29.099   5.531   2.221
  304   1HG   ARG  46          2HG       ARG  46  30.660   5.050   0.509
  305   2HG   ARG  46          1HG       ARG  46  29.426   4.281  -0.491
  306   1HD   ARG  46          2HD       ARG  46  28.305   6.684  -0.234
  307   2HD   ARG  46          1HD       ARG  46  29.991   7.154  -0.034
  308    HE   ARG  46           HE       ARG  46  29.725   5.489  -2.294
  309   1HH1  ARG  46          1HH1      ARG  46  28.980   8.716  -1.199
  310   2HH1  ARG  46          2HH1      ARG  46  29.039   9.406  -2.786
  311   1HH2  ARG  46          1HH2      ARG  46  29.804   6.394  -4.386
  312   2HH2  ARG  46          2HH2      ARG  46  29.507   8.087  -4.597
  313    H    ARG  47           H        ARG  47  29.203   1.570   3.635
  314    HA   ARG  47           HA       ARG  47  30.784   1.010   5.163
  315   1HB   ARG  47          2HB       ARG  47  32.769   2.353   3.338
  316   2HB   ARG  47          1HB       ARG  47  33.049   1.010   4.436
  317   1HG   ARG  47          2HG       ARG  47  31.150  -0.062   2.852
  318   2HG   ARG  47          1HG       ARG  47  31.942   1.029   1.712
  319   1HD   ARG  47          2HD       ARG  47  33.302  -1.075   3.391
  320   2HD   ARG  47          1HD       ARG  47  32.952  -1.195   1.667
  321    HE   ARG  47           HE       ARG  47  35.079   0.307   2.918
  322   1HH1  ARG  47          1HH1      ARG  47  33.139  -0.109   0.045
  323   2HH1  ARG  47          2HH1      ARG  47  34.318   0.601  -1.003
  324   1HH2  ARG  47          1HH2      ARG  47  36.630   1.240   1.537
  325   2HH2  ARG  47          2HH2      ARG  47  36.299   1.366  -0.158
  326    HA   PRO  48           HA       PRO  48  30.957   5.079   7.203
  327   1HB   PRO  48          2HB       PRO  48  30.240   4.221   9.651
  328   2HB   PRO  48          1HB       PRO  48  29.049   4.485   8.371
  329   1HG   PRO  48          2HG       PRO  48  30.285   1.926   9.309
  330   2HG   PRO  48          1HG       PRO  48  28.598   2.264   8.887
  331   1HD   PRO  48          2HD       PRO  48  30.363   1.033   7.201
  332   2HD   PRO  48          1HD       PRO  48  28.978   1.991   6.643
  Start of MODEL   13
    1    H    VAL   1           H        VAL   1   0.813  17.406 -16.879
    2    HA   VAL   1           HA       VAL   1  -0.377  15.699 -15.523
    3    HB   VAL   1           HB       VAL   1   2.229  16.745 -14.350
    4   1HG1  VAL   1          1HG1      VAL   1   2.453  14.544 -13.320
    5   2HG1  VAL   1          2HG1      VAL   1   0.923  15.278 -12.782
    6   3HG1  VAL   1          3HG1      VAL   1   0.912  14.014 -14.036
    7   1HG2  VAL   1          1HG2      VAL   1   2.285  16.079 -16.748
    8   2HG2  VAL   1          2HG2      VAL   1   3.224  14.962 -15.728
    9   3HG2  VAL   1          3HG2      VAL   1   1.608  14.492 -16.309
   10    H    ASN   2           H        ASN   2   0.989  16.289 -12.655
   11    HA   ASN   2           HA       ASN   2   0.341  17.126 -10.635
   12   1HB   ASN   2          2HB       ASN   2  -0.383  19.162 -12.080
   13   2HB   ASN   2          1HB       ASN   2  -2.014  18.533 -11.862
   14   1HD2  ASN   2          1HD2      ASN   2   0.849  18.938  -9.796
   15   2HD2  ASN   2          2HD2      ASN   2   0.014  19.741  -8.515
   16    H    TYR   3           H        TYR   3  -2.597  16.518 -12.561
   17    HA   TYR   3           HA       TYR   3  -4.346  15.116 -12.266
   18   1HB   TYR   3          2HB       TYR   3  -2.224  13.791 -10.692
   19   2HB   TYR   3          1HB       TYR   3  -3.867  13.384 -10.218
   20    HD1  TYR   3          1HD       TYR   3  -1.324  12.128 -12.026
   21    HD2  TYR   3          2HD       TYR   3  -5.388  13.223 -12.590
   22    HE1  TYR   3          1HE       TYR   3  -1.461  10.612 -13.953
   23    HE2  TYR   3          2HE       TYR   3  -5.538  11.708 -14.519
   24    HH   TYR   3           HH       TYR   3  -2.803  10.319 -15.980
   25    H    GLY   4           H        GLY   4  -3.135  15.270  -8.903
   26   1HA   GLY   4          2HA       GLY   4  -3.943  16.648  -7.178
   27   2HA   GLY   4          1HA       GLY   4  -5.275  17.136  -8.210
   28    H    ASN   5           H        ASN   5  -6.138  14.469  -8.884
   29    HA   ASN   5           HA       ASN   5  -6.666  13.056  -6.449
   30   1HB   ASN   5          2HB       ASN   5  -8.277  15.191  -6.701
   31   2HB   ASN   5          1HB       ASN   5  -9.190  14.030  -7.657
   32   1HD2  ASN   5          1HD2      ASN   5 -10.540  14.828  -5.600
   33   2HD2  ASN   5          2HD2      ASN   5 -10.525  13.688  -4.301
   34    H    GLY   6           H        GLY   6  -5.636  12.498  -9.068
   35   1HA   GLY   6          2HA       GLY   6  -7.701  10.704 -10.191
   36   2HA   GLY   6          1HA       GLY   6  -6.278  11.288 -11.040
   37    H    VAL   7           H        VAL   7  -4.302  10.809  -9.149
   38    HA   VAL   7           HA       VAL   7  -4.062   7.910  -9.344
   39    HB   VAL   7           HB       VAL   7  -1.756   8.269  -8.455
   40   1HG1  VAL   7          1HG1      VAL   7  -2.071   8.174 -10.841
   41   2HG1  VAL   7          2HG1      VAL   7  -0.823   9.354 -10.433
   42   3HG1  VAL   7          3HG1      VAL   7  -2.437   9.896 -10.877
   43   1HG2  VAL   7          1HG2      VAL   7  -1.356  10.119  -7.311
   44   2HG2  VAL   7          2HG2      VAL   7  -2.829  10.879  -7.908
   45   3HG2  VAL   7          3HG2      VAL   7  -1.341  10.985  -8.848
   46    H    SER   8           H        SER   8  -5.139   6.859  -7.743
   47    HA   SER   8           HA       SER   8  -4.330   7.445  -5.005
   48   1HB   SER   8          2HB       SER   8  -6.513   8.655  -5.498
   49   2HB   SER   8          1HB       SER   8  -7.254   7.066  -5.685
   50    HG   SER   8           HG       SER   8  -5.859   7.923  -3.370
   51    H    CYS   9           H        CYS   9  -6.535   5.611  -4.112
   52    HA   CYS   9           HA       CYS   9  -5.061   3.224  -4.134
   53   1HB   CYS   9          2HB       CYS   9  -7.270   2.223  -3.265
   54   2HB   CYS   9          1HB       CYS   9  -6.507   3.484  -2.299
   55    H    SER  10           H        SER  10  -7.749   4.361  -6.107
   56    HA   SER  10           HA       SER  10  -7.222   2.145  -7.953
   57   1HB   SER  10          2HB       SER  10  -9.805   2.771  -6.615
   58   2HB   SER  10          1HB       SER  10  -9.864   2.269  -8.303
   59    HG   SER  10           HG       SER  10  -8.642   0.410  -7.674
   60    H    LYS  11           H        LYS  11  -7.756   2.542 -10.143
   61    HA   LYS  11           HA       LYS  11  -7.389   5.273 -10.943
   62   1HB   LYS  11          2HB       LYS  11  -6.307   3.428 -12.122
   63   2HB   LYS  11          1HB       LYS  11  -7.877   2.792 -12.590
   64   1HG   LYS  11          2HG       LYS  11  -7.133   3.908 -14.486
   65   2HG   LYS  11          1HG       LYS  11  -8.237   5.057 -13.735
   66   1HD   LYS  11          2HD       LYS  11  -6.236   6.204 -14.453
   67   2HD   LYS  11          1HD       LYS  11  -6.307   6.181 -12.687
   68   1HE   LYS  11          2HE       LYS  11  -4.672   4.496 -12.540
   69   2HE   LYS  11          1HE       LYS  11  -4.807   4.106 -14.254
   70   1HZ   LYS  11          1HZ       LYS  11  -3.657   6.580 -13.086
   71   2HZ   LYS  11          2HZ       LYS  11  -3.893   6.326 -14.742
   72   3HZ   LYS  11          3HZ       LYS  11  -2.814   5.348 -13.883
   73    H    THR  12           H        THR  12 -10.180   3.623 -10.138
   74    HA   THR  12           HA       THR  12 -11.784   5.630 -11.472
   75    HB   THR  12           HB       THR  12 -12.587   2.754 -11.830
   76    HG1  THR  12          1HG       THR  12 -11.075   4.314 -13.652
   77   1HG2  THR  12          1HG2      THR  12 -14.134   4.794 -12.251
   78   2HG2  THR  12          2HG2      THR  12 -14.059   3.498 -13.446
   79   3HG2  THR  12          3HG2      THR  12 -13.166   4.997 -13.710
   80    H    LYS  13           H        LYS  13 -11.669   6.062  -9.104
   81    HA   LYS  13           HA       LYS  13 -12.847   6.300  -7.166
   82   1HB   LYS  13          2HB       LYS  13 -14.834   5.404  -8.848
   83   2HB   LYS  13          1HB       LYS  13 -14.820   4.160  -7.610
   84   1HG   LYS  13          2HG       LYS  13 -14.847   6.198  -5.981
   85   2HG   LYS  13          1HG       LYS  13 -15.490   7.049  -7.386
   86   1HD   LYS  13          2HD       LYS  13 -17.002   4.800  -7.417
   87   2HD   LYS  13          1HD       LYS  13 -16.730   4.992  -5.683
   88   1HE   LYS  13          2HE       LYS  13 -17.614   7.234  -5.746
   89   2HE   LYS  13          1HE       LYS  13 -17.752   7.169  -7.501
   90   1HZ   LYS  13          1HZ       LYS  13 -19.219   5.326  -5.701
   91   2HZ   LYS  13          2HZ       LYS  13 -19.478   5.584  -7.352
   92   3HZ   LYS  13          3HZ       LYS  13 -19.861   6.797  -6.238
   93    H    CYS  14           H        CYS  14 -13.454   4.877  -5.216
   94    HA   CYS  14           HA       CYS  14 -11.745   2.478  -5.255
   95   1HB   CYS  14          2HB       CYS  14 -11.237   4.763  -3.853
   96   2HB   CYS  14          1HB       CYS  14 -12.133   3.814  -2.663
   97    H    SER  15           H        SER  15 -14.133   1.997  -5.996
   98    HA   SER  15           HA       SER  15 -15.949   1.519  -3.793
   99   1HB   SER  15          2HB       SER  15 -16.107   1.791  -6.643
  100   2HB   SER  15          1HB       SER  15 -16.944   0.334  -6.120
  101    HG   SER  15           HG       SER  15 -18.135   2.438  -6.130
  102    H    VAL  16           H        VAL  16 -13.412   0.015  -4.017
  103    HA   VAL  16           HA       VAL  16 -14.455  -2.557  -3.366
  104    HB   VAL  16           HB       VAL  16 -14.474  -2.761  -5.799
  105   1HG1  VAL  16          1HG1      VAL  16 -12.760  -2.250  -7.179
  106   2HG1  VAL  16          2HG1      VAL  16 -11.522  -2.656  -5.992
  107   3HG1  VAL  16          3HG1      VAL  16 -12.396  -1.126  -5.873
  108   1HG2  VAL  16          1HG2      VAL  16 -14.132  -4.818  -4.784
  109   2HG2  VAL  16          2HG2      VAL  16 -12.514  -4.393  -4.228
  110   3HG2  VAL  16          3HG2      VAL  16 -12.799  -4.729  -5.934
  111    H    ASN  17           H        ASN  17 -13.206  -3.461  -1.900
  112    HA   ASN  17           HA       ASN  17 -10.884  -2.195  -0.931
  113   1HB   ASN  17          2HB       ASN  17 -10.726  -4.062   0.613
  114   2HB   ASN  17          1HB       ASN  17 -12.421  -3.611   0.434
  115   1HD2  ASN  17          1HD2      ASN  17 -11.484  -6.111   1.357
  116   2HD2  ASN  17          2HD2      ASN  17 -11.984  -7.319   0.229
  117    H    TRP  18           H        TRP  18  -9.118  -4.338  -0.433
  118    HA   TRP  18           HA       TRP  18  -7.431  -5.570  -1.336
  119   1HB   TRP  18          2HB       TRP  18  -9.407  -6.288  -2.997
  120   2HB   TRP  18          1HB       TRP  18  -8.397  -5.410  -4.142
  121    HD1  TRP  18           HD       TRP  18  -5.988  -6.429  -4.689
  122    HE1  TRP  18          1HE       TRP  18  -4.978  -8.766  -4.322
  123    HE3  TRP  18          3HE       TRP  18  -9.445  -8.298  -1.431
  124    HZ2  TRP  18          2HZ       TRP  18  -5.568 -11.096  -2.851
  125    HZ3  TRP  18          3HZ       TRP  18  -9.149 -10.598  -0.589
  126    HH2  TRP  18           HH       TRP  18  -7.248 -11.964  -1.285
  127    H    GLY  19           H        GLY  19  -7.715  -2.558  -1.384
  128   1HA   GLY  19          2HA       GLY  19  -5.953  -1.813  -3.599
  129   2HA   GLY  19          1HA       GLY  19  -6.729  -0.719  -2.463
  130    H    GLN  20           H        GLN  20  -5.953  -1.734  -0.047
  131    HA   GLN  20           HA       GLN  20  -3.348  -0.676   0.212
  132   1HB   GLN  20          2HB       GLN  20  -4.944  -2.361   2.151
  133   2HB   GLN  20          1HB       GLN  20  -3.489  -1.461   2.555
  134   1HG   GLN  20          2HG       GLN  20  -5.660   0.082   1.295
  135   2HG   GLN  20          1HG       GLN  20  -5.973  -0.527   2.920
  136   1HE2  GLN  20          1HE2      GLN  20  -5.740   2.202   2.164
  137   2HE2  GLN  20          2HE2      GLN  20  -4.384   2.863   3.005
  138    H    ALA  21           H        ALA  21  -4.538  -3.895  -0.327
  139    HA   ALA  21           HA       ALA  21  -2.359  -5.404   0.537
  140   1HB   ALA  21          1HB       ALA  21  -3.819  -6.158  -1.946
  141   2HB   ALA  21          2HB       ALA  21  -4.685  -6.110  -0.412
  142   3HB   ALA  21          3HB       ALA  21  -3.290  -7.173  -0.603
  143    H    PHE  22           H        PHE  22  -3.054  -4.577  -2.858
  144    HA   PHE  22           HA       PHE  22  -0.571  -5.272  -3.863
  145   1HB   PHE  22          2HB       PHE  22  -2.573  -4.726  -5.264
  146   2HB   PHE  22          1HB       PHE  22  -2.271  -3.015  -4.947
  147    HD1  PHE  22          1HD       PHE  22  -0.399  -6.032  -6.039
  148    HD2  PHE  22          2HD       PHE  22  -1.069  -1.872  -6.476
  149    HE1  PHE  22          1HE       PHE  22   1.335  -5.944  -7.752
  150    HE2  PHE  22          2HE       PHE  22   0.659  -1.770  -8.203
  151    HZ   PHE  22           HZ       PHE  22   1.867  -3.811  -8.859
  152    H    GLN  23           H        GLN  23  -1.486  -2.360  -2.161
  153    HA   GLN  23           HA       GLN  23   0.749  -0.865  -3.107
  154   1HB   GLN  23          2HB       GLN  23  -1.091  -0.424  -0.747
  155   2HB   GLN  23          1HB       GLN  23   0.144   0.721  -1.246
  156   1HG   GLN  23          2HG       GLN  23  -1.805  -0.162  -3.292
  157   2HG   GLN  23          1HG       GLN  23  -2.379   0.913  -2.019
  158   1HE2  GLN  23          1HE2      GLN  23  -2.580   1.956  -4.372
  159   2HE2  GLN  23          2HE2      GLN  23  -1.331   3.099  -4.714
  160    H    GLU  24           H        GLU  24   0.153  -2.816  -0.219
  161    HA   GLU  24           HA       GLU  24   2.682  -2.118   0.986
  162   1HB   GLU  24          2HB       GLU  24   0.384  -3.060   2.018
  163   2HB   GLU  24          1HB       GLU  24   1.237  -4.584   1.812
  164   1HG   GLU  24          2HG       GLU  24   3.170  -3.264   3.012
  165   2HG   GLU  24          1HG       GLU  24   1.820  -2.306   3.619
  166    H    ARG  25           H        ARG  25   1.317  -4.873  -0.739
  167    HA   ARG  25           HA       ARG  25   3.516  -6.602  -0.634
  168   1HB   ARG  25          2HB       ARG  25   0.972  -6.666  -1.706
  169   2HB   ARG  25          1HB       ARG  25   1.988  -6.682  -3.137
  170   1HG   ARG  25          2HG       ARG  25   2.400  -8.593  -0.854
  171   2HG   ARG  25          1HG       ARG  25   1.314  -8.929  -2.204
  172   1HD   ARG  25          2HD       ARG  25   3.401  -8.297  -3.648
  173   2HD   ARG  25          1HD       ARG  25   4.286  -8.680  -2.173
  174    HE   ARG  25           HE       ARG  25   2.948 -10.531  -3.931
  175   1HH1  ARG  25          1HH1      ARG  25   4.213 -10.009  -0.719
  176   2HH1  ARG  25          2HH1      ARG  25   4.412 -11.697  -0.390
  177   1HH2  ARG  25          1HH2      ARG  25   3.206 -12.748  -3.498
  178   2HH2  ARG  25          2HH2      ARG  25   3.842 -13.253  -1.968
  179    H    TYR  26           H        TYR  26   2.475  -4.478  -3.249
  180    HA   TYR  26           HA       TYR  26   4.648  -4.949  -4.929
  181   1HB   TYR  26          2HB       TYR  26   3.437  -3.785  -6.351
  182   2HB   TYR  26          1HB       TYR  26   2.226  -3.860  -5.094
  183    HD1  TYR  26          1HD       TYR  26   2.759  -1.767  -3.314
  184    HD2  TYR  26          2HD       TYR  26   3.349  -1.841  -7.501
  185    HE1  TYR  26          1HE       TYR  26   2.456   0.658  -3.372
  186    HE2  TYR  26          2HE       TYR  26   3.059   0.591  -7.601
  187    HH   TYR  26           HH       TYR  26   1.676   2.388  -5.353
  188    H    THR  27           H        THR  27   4.216  -2.452  -2.485
  189    HA   THR  27           HA       THR  27   6.506  -0.949  -3.231
  190    HB   THR  27           HB       THR  27   6.425  -0.225  -0.745
  191    HG1  THR  27          1HG       THR  27   5.171  -1.987  -0.026
  192   1HG2  THR  27          1HG2      THR  27   4.820   0.512  -2.967
  193   2HG2  THR  27          2HG2      THR  27   5.396   1.504  -1.628
  194   3HG2  THR  27          3HG2      THR  27   3.868   0.629  -1.492
  195    H    ALA  28           H        ALA  28   5.962  -3.554  -0.913
  196    HA   ALA  28           HA       ALA  28   8.476  -3.687   0.233
  197   1HB   ALA  28          1HB       ALA  28   6.769  -5.046   1.139
  198   2HB   ALA  28          2HB       ALA  28   7.975  -6.159   0.493
  199   3HB   ALA  28          3HB       ALA  28   6.488  -5.852  -0.404
  200    H    GLY  29           H        GLY  29   7.343  -5.133  -2.801
  201   1HA   GLY  29          2HA       GLY  29   9.879  -6.375  -3.362
  202   2HA   GLY  29          1HA       GLY  29   8.498  -6.275  -4.444
  203    H    ILE  30           H        ILE  30   8.141  -3.525  -4.583
  204    HA   ILE  30           HA       ILE  30  10.162  -2.824  -6.480
  205    HB   ILE  30           HB       ILE  30   7.908  -1.180  -5.316
  206   1HG1  ILE  30          2HG1      ILE  30   7.241  -3.187  -6.633
  207   2HG1  ILE  30          1HG1      ILE  30   6.742  -1.673  -7.381
  208   1HG2  ILE  30          1HG2      ILE  30   8.272   0.332  -7.220
  209   2HG2  ILE  30          2HG2      ILE  30   9.704  -0.598  -7.667
  210   3HG2  ILE  30          3HG2      ILE  30   9.663   0.278  -6.136
  211   1HD1  ILE  30          1HD1      ILE  30   8.999  -1.944  -8.686
  212   2HD1  ILE  30          2HD1      ILE  30   7.545  -2.805  -9.189
  213   3HD1  ILE  30          3HD1      ILE  30   8.786  -3.642  -8.258
  214    H    ASN  31           H        ASN  31   9.177  -1.360  -3.354
  215    HA   ASN  31           HA       ASN  31  11.189   0.563  -3.255
  216   1HB   ASN  31          2HB       ASN  31   9.125  -0.139  -1.612
  217   2HB   ASN  31          1HB       ASN  31  10.515  -0.641  -0.653
  218   1HD2  ASN  31          1HD2      ASN  31   8.556   1.575  -0.336
  219   2HD2  ASN  31          2HD2      ASN  31   9.520   3.000  -0.174
  220    H    SER  32           H        SER  32  11.214  -2.741  -1.875
  221    HA   SER  32           HA       SER  32  13.754  -2.665  -0.759
  222   1HB   SER  32          2HB       SER  32  12.307  -5.000  -2.028
  223   2HB   SER  32          1HB       SER  32  13.766  -5.150  -1.047
  224    HG   SER  32           HG       SER  32  11.175  -4.752  -0.273
  225    H    PHE  33           H        PHE  33  12.799  -3.361  -4.087
  226    HA   PHE  33           HA       PHE  33  15.244  -4.244  -5.081
  227   1HB   PHE  33          2HB       PHE  33  13.812  -4.471  -6.812
  228   2HB   PHE  33          1HB       PHE  33  12.744  -3.214  -6.198
  229    HD1  PHE  33          1HD       PHE  33  15.894  -3.733  -8.090
  230    HD2  PHE  33          2HD       PHE  33  12.635  -1.137  -7.246
  231    HE1  PHE  33          1HE       PHE  33  16.635  -2.220  -9.880
  232    HE2  PHE  33          2HE       PHE  33  13.367   0.373  -9.031
  233    HZ   PHE  33           HZ       PHE  33  15.368  -0.165 -10.357
  234    H    VAL  34           H        VAL  34  14.074  -0.988  -4.469
  235    HA   VAL  34           HA       VAL  34  16.264   0.347  -5.765
  236    HB   VAL  34           HB       VAL  34  14.550   1.584  -3.635
  237   1HG1  VAL  34          1HG1      VAL  34  14.856   3.582  -5.033
  238   2HG1  VAL  34          2HG1      VAL  34  15.859   2.636  -6.132
  239   3HG1  VAL  34          3HG1      VAL  34  16.385   2.905  -4.471
  240   1HG2  VAL  34          1HG2      VAL  34  12.949   0.489  -5.011
  241   2HG2  VAL  34          2HG2      VAL  34  13.782   0.980  -6.485
  242   3HG2  VAL  34          3HG2      VAL  34  12.967   2.187  -5.494
  243    H    SER  35           H        SER  35  15.330   0.117  -2.351
  244    HA   SER  35           HA       SER  35  17.711   1.141  -1.307
  245   1HB   SER  35          2HB       SER  35  16.053  -0.989   0.037
  246   2HB   SER  35          1HB       SER  35  17.023   0.274   0.797
  247    HG   SER  35           HG       SER  35  14.464   0.369   0.079
  248    H    GLY  36           H        GLY  36  16.808  -2.131  -2.236
  249   1HA   GLY  36          2HA       GLY  36  19.009  -3.517  -1.191
  250   2HA   GLY  36          1HA       GLY  36  18.056  -4.025  -2.580
  251    H    VAL  37           H        VAL  37  18.555  -1.909  -4.316
  252    HA   VAL  37           HA       VAL  37  21.210  -2.610  -5.225
  253    HB   VAL  37           HB       VAL  37  20.714  -1.301  -7.200
  254   1HG1  VAL  37          1HG1      VAL  37  19.737  -3.253  -7.711
  255   2HG1  VAL  37          2HG1      VAL  37  18.231  -2.353  -7.534
  256   3HG1  VAL  37          3HG1      VAL  37  18.845  -3.323  -6.191
  257   1HG2  VAL  37          1HG2      VAL  37  19.534   0.555  -5.981
  258   2HG2  VAL  37          2HG2      VAL  37  18.104  -0.475  -5.936
  259   3HG2  VAL  37          3HG2      VAL  37  18.765   0.045  -7.483
  260    H    ALA  38           H        ALA  38  19.613   0.054  -3.647
  261    HA   ALA  38           HA       ALA  38  21.727   1.950  -4.091
  262   1HB   ALA  38          1HB       ALA  38  19.583   2.873  -3.847
  263   2HB   ALA  38          2HB       ALA  38  20.414   3.254  -2.338
  264   3HB   ALA  38          3HB       ALA  38  19.251   1.930  -2.394
  265    H    SER  39           H        SER  39  21.062  -0.533  -1.791
  266    HA   SER  39           HA       SER  39  22.576   0.491   0.383
  267   1HB   SER  39          2HB       SER  39  21.382  -2.144  -0.336
  268   2HB   SER  39          1HB       SER  39  22.634  -2.119   0.905
  269    HG   SER  39           HG       SER  39  20.577  -1.847   1.825
  270    H    GLY  40           H        GLY  40  23.362  -1.538  -2.393
  271   1HA   GLY  40          2HA       GLY  40  25.710  -1.167  -3.186
  272   2HA   GLY  40          1HA       GLY  40  26.198  -1.485  -1.531
  273    H    ALA  41           H        ALA  41  23.665  -3.515  -2.129
  274    HA   ALA  41           HA       ALA  41  23.509  -5.767  -2.470
  275   1HB   ALA  41          1HB       ALA  41  25.722  -5.311  -4.452
  276   2HB   ALA  41          2HB       ALA  41  24.011  -5.032  -4.772
  277   3HB   ALA  41          3HB       ALA  41  24.587  -6.661  -4.420
  278    H    GLY  42           H        GLY  42  25.581  -4.636  -0.578
  279   1HA   GLY  42          2HA       GLY  42  27.777  -6.474  -0.589
  280   2HA   GLY  42          1HA       GLY  42  27.367  -5.350   0.697
  281    H    SER  43           H        SER  43  25.701  -5.961   2.198
  282    HA   SER  43           HA       SER  43  24.454  -8.442   2.328
  283   1HB   SER  43          2HB       SER  43  27.238  -8.415   3.404
  284   2HB   SER  43          1HB       SER  43  26.010  -9.313   4.292
  285    HG   SER  43           HG       SER  43  25.661 -10.584   2.514
  286    H    ILE  44           H        ILE  44  23.264  -6.313   2.919
  287    HA   ILE  44           HA       ILE  44  23.310  -6.012   5.860
  288    HB   ILE  44           HB       ILE  44  22.356  -3.937   3.887
  289   1HG1  ILE  44          2HG1      ILE  44  24.947  -3.900   5.438
  290   2HG1  ILE  44          1HG1      ILE  44  24.837  -4.445   3.767
  291   1HG2  ILE  44          1HG2      ILE  44  22.748  -2.499   6.002
  292   2HG2  ILE  44          2HG2      ILE  44  22.668  -4.038   6.860
  293   3HG2  ILE  44          3HG2      ILE  44  21.294  -3.492   5.897
  294   1HD1  ILE  44          1HD1      ILE  44  24.250  -2.300   3.005
  295   2HD1  ILE  44          2HD1      ILE  44  25.580  -2.065   4.139
  296   3HD1  ILE  44          3HD1      ILE  44  23.923  -1.724   4.639
  297    H    GLY  45           H        GLY  45  21.288  -6.086   2.953
  298   1HA   GLY  45          2HA       GLY  45  18.785  -5.889   4.170
  299   2HA   GLY  45          1HA       GLY  45  19.103  -6.698   2.645
  300    H    ARG  46           H        ARG  46  20.973  -8.593   3.997
  301    HA   ARG  46           HA       ARG  46  20.903 -10.678   4.892
  302   1HB   ARG  46          2HB       ARG  46  20.089  -9.217   6.887
  303   2HB   ARG  46          1HB       ARG  46  18.512  -9.902   6.533
  304   1HG   ARG  46          2HG       ARG  46  19.377 -11.279   8.195
  305   2HG   ARG  46          1HG       ARG  46  19.665 -12.176   6.703
  306   1HD   ARG  46          2HD       ARG  46  21.964 -10.886   6.776
  307   2HD   ARG  46          1HD       ARG  46  21.597 -10.791   8.497
  308    HE   ARG  46           HE       ARG  46  21.226 -13.412   7.912
  309   1HH1  ARG  46          1HH1      ARG  46  23.864 -11.182   7.411
  310   2HH1  ARG  46          2HH1      ARG  46  25.083 -12.406   7.514
  311   1HH2  ARG  46          1HH2      ARG  46  22.829 -15.025   8.048
  312   2HH2  ARG  46          2HH2      ARG  46  24.496 -14.588   7.875
  313    H    ARG  47           H        ARG  47  20.099 -11.104   2.632
  314    HA   ARG  47           HA       ARG  47  17.312 -11.770   2.369
  315   1HB   ARG  47          2HB       ARG  47  19.686 -11.819   0.560
  316   2HB   ARG  47          1HB       ARG  47  18.275 -12.773   0.127
  317   1HG   ARG  47          2HG       ARG  47  17.097 -10.420   0.688
  318   2HG   ARG  47          1HG       ARG  47  18.669  -9.858   0.118
  319   1HD   ARG  47          2HD       ARG  47  18.397 -10.945  -1.972
  320   2HD   ARG  47          1HD       ARG  47  16.994 -11.844  -1.396
  321    HE   ARG  47           HE       ARG  47  15.677 -10.002  -1.791
  322   1HH1  ARG  47          1HH1      ARG  47  19.040  -9.093  -2.034
  323   2HH1  ARG  47          2HH1      ARG  47  18.698  -7.533  -2.699
  324   1HH2  ARG  47          1HH2      ARG  47  15.228  -7.948  -2.661
  325   2HH2  ARG  47          2HH2      ARG  47  16.534  -6.881  -3.054
  326    HA   PRO  48           HA       PRO  48  19.009 -16.230   2.330
  327   1HB   PRO  48          2HB       PRO  48  21.584 -16.717   2.909
  328   2HB   PRO  48          1HB       PRO  48  21.072 -16.247   1.282
  329   1HG   PRO  48          2HG       PRO  48  22.316 -14.581   3.433
  330   2HG   PRO  48          1HG       PRO  48  22.646 -14.590   1.692
  331   1HD   PRO  48          2HD       PRO  48  21.049 -12.744   2.944
  332   2HD   PRO  48          1HD       PRO  48  20.899 -13.190   1.231
  Start of MODEL   14
    1    H    VAL   1           H        VAL   1  -1.505   0.836   8.878
    2    HA   VAL   1           HA       VAL   1  -3.767   1.800   9.234
    3    HB   VAL   1           HB       VAL   1  -4.674   1.363   7.001
    4   1HG1  VAL   1          1HG1      VAL   1  -2.546   1.768   5.680
    5   2HG1  VAL   1          2HG1      VAL   1  -2.763   2.845   7.080
    6   3HG1  VAL   1          3HG1      VAL   1  -1.636   1.471   7.180
    7   1HG2  VAL   1          1HG2      VAL   1  -4.538  -0.990   6.749
    8   2HG2  VAL   1          2HG2      VAL   1  -3.330  -0.365   5.601
    9   3HG2  VAL   1          3HG2      VAL   1  -2.809  -1.022   7.171
   10    H    ASN   2           H        ASN   2  -5.441  -0.378   7.488
   11    HA   ASN   2           HA       ASN   2  -7.004  -1.969   7.889
   12   1HB   ASN   2          2HB       ASN   2  -5.065  -2.691   9.675
   13   2HB   ASN   2          1HB       ASN   2  -6.447  -2.429  10.738
   14   1HD2  ASN   2          1HD2      ASN   2  -5.069  -4.904  10.019
   15   2HD2  ASN   2          2HD2      ASN   2  -6.277  -5.943   9.350
   16    H    TYR   3           H        TYR   3  -6.600  -0.141  10.919
   17    HA   TYR   3           HA       TYR   3  -8.040   1.133  12.134
   18   1HB   TYR   3          2HB       TYR   3  -9.102   1.360   9.375
   19   2HB   TYR   3          1HB       TYR   3 -10.199   1.795  10.675
   20    HD1  TYR   3          1HD       TYR   3  -6.535   2.325  10.152
   21    HD2  TYR   3          2HD       TYR   3 -10.337   4.083  10.882
   22    HE1  TYR   3          1HE       TYR   3  -5.472   4.530  10.325
   23    HE2  TYR   3          2HE       TYR   3  -9.283   6.297  11.057
   24    HH   TYR   3           HH       TYR   3  -6.380   6.909  11.689
   25    H    GLY   4           H        GLY   4  -8.956  -0.008  13.716
   26   1HA   GLY   4          2HA       GLY   4 -11.152  -1.891  13.054
   27   2HA   GLY   4          1HA       GLY   4 -10.109  -2.011  14.465
   28    H    ASN   5           H        ASN   5 -12.537   0.076  12.955
   29    HA   ASN   5           HA       ASN   5 -13.886   0.431  15.463
   30   1HB   ASN   5          2HB       ASN   5 -11.924   2.091  15.457
   31   2HB   ASN   5          1HB       ASN   5 -12.819   2.937  14.201
   32   1HD2  ASN   5          1HD2      ASN   5 -13.287   4.748  15.324
   33   2HD2  ASN   5          2HD2      ASN   5 -14.308   4.779  16.718
   34    H    GLY   6           H        GLY   6 -13.408   1.990  12.314
   35   1HA   GLY   6          2HA       GLY   6 -15.306   1.461  10.715
   36   2HA   GLY   6          1HA       GLY   6 -16.329   2.140  11.986
   37    H    VAL   7           H        VAL   7 -14.315   2.808   9.348
   38    HA   VAL   7           HA       VAL   7 -13.995   5.625   9.962
   39    HB   VAL   7           HB       VAL   7 -13.002   5.763   7.666
   40   1HG1  VAL   7          1HG1      VAL   7 -11.814   3.667   9.475
   41   2HG1  VAL   7          2HG1      VAL   7 -11.633   5.412   9.655
   42   3HG1  VAL   7          3HG1      VAL   7 -10.949   4.595   8.249
   43   1HG2  VAL   7          1HG2      VAL   7 -12.367   3.400   6.755
   44   2HG2  VAL   7          2HG2      VAL   7 -13.945   4.088   6.379
   45   3HG2  VAL   7          3HG2      VAL   7 -13.794   2.875   7.648
   46    H    SER   8           H        SER   8 -15.957   3.509   8.024
   47    HA   SER   8           HA       SER   8 -17.800   3.821   6.730
   48   1HB   SER   8          2HB       SER   8 -19.513   5.161   7.691
   49   2HB   SER   8          1HB       SER   8 -18.560   4.555   9.042
   50    HG   SER   8           HG       SER   8 -17.855   6.523   9.449
   51    H    CYS   9           H        CYS   9 -17.485   4.428   4.690
   52    HA   CYS   9           HA       CYS   9 -16.524   7.123   4.124
   53   1HB   CYS   9          2HB       CYS   9 -16.679   4.578   2.550
   54   2HB   CYS   9          1HB       CYS   9 -16.601   6.113   1.689
   55    H    SER  10           H        SER  10 -17.532   8.155   2.124
   56    HA   SER  10           HA       SER  10 -20.432   8.103   2.509
   57   1HB   SER  10          2HB       SER  10 -19.556  10.302   2.757
   58   2HB   SER  10          1HB       SER  10 -18.567  10.148   1.305
   59    HG   SER  10           HG       SER  10 -21.405  10.117   1.338
   60    H    LYS  11           H        LYS  11 -18.021   8.159  -0.103
   61    HA   LYS  11           HA       LYS  11 -19.971   7.611  -2.124
   62   1HB   LYS  11          2HB       LYS  11 -17.686   8.855  -2.305
   63   2HB   LYS  11          1HB       LYS  11 -17.042   7.239  -2.566
   64   1HG   LYS  11          2HG       LYS  11 -18.515   6.929  -4.469
   65   2HG   LYS  11          1HG       LYS  11 -19.224   8.521  -4.196
   66   1HD   LYS  11          2HD       LYS  11 -16.663   9.245  -4.364
   67   2HD   LYS  11          1HD       LYS  11 -16.590   7.777  -5.343
   68   1HE   LYS  11          2HE       LYS  11 -17.096   9.379  -6.929
   69   2HE   LYS  11          1HE       LYS  11 -18.694   8.765  -6.505
   70   1HZ   LYS  11          1HZ       LYS  11 -18.734  10.670  -4.836
   71   2HZ   LYS  11          2HZ       LYS  11 -18.924  11.065  -6.470
   72   3HZ   LYS  11          3HZ       LYS  11 -17.435  11.315  -5.707
   73    H    THR  12           H        THR  12 -18.478   5.547   0.089
   74    HA   THR  12           HA       THR  12 -18.157   3.302   0.200
   75    HB   THR  12           HB       THR  12 -20.598   3.284  -0.039
   76    HG1  THR  12          1HG       THR  12 -20.620   1.177  -0.276
   77   1HG2  THR  12          1HG2      THR  12 -21.124   4.226  -2.107
   78   2HG2  THR  12          2HG2      THR  12 -21.496   2.514  -2.288
   79   3HG2  THR  12          3HG2      THR  12 -20.006   3.170  -2.970
   80    H    LYS  13           H        LYS  13 -16.268   4.387  -1.337
   81    HA   LYS  13           HA       LYS  13 -15.564   2.201  -3.066
   82   1HB   LYS  13          2HB       LYS  13 -16.966   4.083  -4.354
   83   2HB   LYS  13          1HB       LYS  13 -15.375   4.822  -4.453
   84   1HG   LYS  13          2HG       LYS  13 -14.511   3.032  -5.703
   85   2HG   LYS  13          1HG       LYS  13 -15.878   1.990  -5.303
   86   1HD   LYS  13          2HD       LYS  13 -16.874   2.645  -7.182
   87   2HD   LYS  13          1HD       LYS  13 -16.966   4.278  -6.522
   88   1HE   LYS  13          2HE       LYS  13 -14.398   4.224  -7.371
   89   2HE   LYS  13          1HE       LYS  13 -15.153   3.149  -8.546
   90   1HZ   LYS  13          1HZ       LYS  13 -15.372   5.227  -9.501
   91   2HZ   LYS  13          2HZ       LYS  13 -15.702   5.999  -8.033
   92   3HZ   LYS  13          3HZ       LYS  13 -16.877   5.021  -8.755
   93    H    CYS  14           H        CYS  14 -14.523   3.202  -0.685
   94    HA   CYS  14           HA       CYS  14 -12.178   4.775  -1.342
   95   1HB   CYS  14          2HB       CYS  14 -13.110   3.581   1.264
   96   2HB   CYS  14          1HB       CYS  14 -11.757   4.699   1.095
   97    H    SER  15           H        SER  15 -12.638   1.762   0.496
   98    HA   SER  15           HA       SER  15 -10.071   0.798  -0.591
   99   1HB   SER  15          2HB       SER  15  -9.863   0.900   1.757
  100   2HB   SER  15          1HB       SER  15 -11.495   0.289   2.018
  101    HG   SER  15           HG       SER  15 -10.602  -1.597   2.146
  102    H    VAL  16           H        VAL  16 -10.027  -1.741  -0.519
  103    HA   VAL  16           HA       VAL  16 -12.490  -3.085  -1.046
  104    HB   VAL  16           HB       VAL  16 -12.245  -1.873  -3.175
  105   1HG1  VAL  16          1HG1      VAL  16  -9.770  -3.484  -3.714
  106   2HG1  VAL  16          2HG1      VAL  16  -9.712  -1.852  -3.044
  107   3HG1  VAL  16          3HG1      VAL  16 -10.429  -2.129  -4.631
  108   1HG2  VAL  16          1HG2      VAL  16 -13.015  -4.400  -2.860
  109   2HG2  VAL  16          2HG2      VAL  16 -11.651  -4.675  -3.943
  110   3HG2  VAL  16          3HG2      VAL  16 -12.972  -3.616  -4.439
  111    H    ASN  17           H        ASN  17 -10.197  -3.389   0.645
  112    HA   ASN  17           HA       ASN  17  -8.930  -5.054   1.514
  113   1HB   ASN  17          2HB       ASN  17 -10.927  -6.404  -0.018
  114   2HB   ASN  17          1HB       ASN  17  -9.397  -7.264  -0.217
  115   1HD2  ASN  17          1HD2      ASN  17 -11.833  -6.223   2.032
  116   2HD2  ASN  17          2HD2      ASN  17 -11.358  -7.253   3.336
  117    H    TRP  18           H        TRP  18  -8.914  -5.986  -1.926
  118    HA   TRP  18           HA       TRP  18  -6.239  -6.670  -2.078
  119   1HB   TRP  18          2HB       TRP  18  -8.371  -6.500  -3.871
  120   2HB   TRP  18          1HB       TRP  18  -7.152  -5.428  -4.553
  121    HD1  TRP  18           HD       TRP  18  -4.738  -6.567  -5.140
  122    HE1  TRP  18          1HE       TRP  18  -4.160  -8.983  -5.810
  123    HE3  TRP  18          3HE       TRP  18  -9.007  -8.895  -3.564
  124    HZ2  TRP  18          2HZ       TRP  18  -5.353 -11.534  -5.691
  125    HZ3  TRP  18          3HZ       TRP  18  -9.209 -11.326  -3.880
  126    HH2  TRP  18           HH       TRP  18  -7.418 -12.617  -4.921
  127    H    GLY  19           H        GLY  19  -7.623  -3.488  -1.943
  128   1HA   GLY  19          2HA       GLY  19  -5.688  -1.967  -3.253
  129   2HA   GLY  19          1HA       GLY  19  -6.669  -1.401  -1.912
  130    H    GLN  20           H        GLN  20  -5.875  -2.425   0.281
  131    HA   GLN  20           HA       GLN  20  -3.329  -1.339   0.777
  132   1HB   GLN  20          2HB       GLN  20  -4.891  -3.300   2.473
  133   2HB   GLN  20          1HB       GLN  20  -3.561  -2.291   3.024
  134   1HG   GLN  20          2HG       GLN  20  -6.033  -1.088   1.836
  135   2HG   GLN  20          1HG       GLN  20  -5.958  -1.546   3.538
  136   1HE2  GLN  20          1HE2      GLN  20  -5.925   0.376   4.527
  137   2HE2  GLN  20          2HE2      GLN  20  -4.743   1.607   4.263
  138    H    ALA  21           H        ALA  21  -4.398  -4.548  -0.041
  139    HA   ALA  21           HA       ALA  21  -2.107  -6.004   0.708
  140   1HB   ALA  21          1HB       ALA  21  -4.129  -7.169   0.239
  141   2HB   ALA  21          2HB       ALA  21  -2.941  -7.668  -0.966
  142   3HB   ALA  21          3HB       ALA  21  -4.197  -6.508  -1.395
  143    H    PHE  22           H        PHE  22  -3.038  -5.082  -2.625
  144    HA   PHE  22           HA       PHE  22  -0.644  -5.773  -3.800
  145   1HB   PHE  22          2HB       PHE  22  -2.718  -5.071  -5.056
  146   2HB   PHE  22          1HB       PHE  22  -2.291  -3.396  -4.706
  147    HD1  PHE  22          1HD       PHE  22  -1.691  -2.434  -6.682
  148    HD2  PHE  22          2HD       PHE  22  -0.165  -6.278  -5.746
  149    HE1  PHE  22          1HE       PHE  22  -0.242  -2.326  -8.637
  150    HE2  PHE  22          2HE       PHE  22   1.291  -6.179  -7.703
  151    HZ   PHE  22           HZ       PHE  22   1.251  -4.204  -9.175
  152    H    GLN  23           H        GLN  23  -1.482  -2.599  -2.358
  153    HA   GLN  23           HA       GLN  23   0.885  -1.347  -3.265
  154   1HB   GLN  23          2HB       GLN  23  -1.393  -0.420  -2.084
  155   2HB   GLN  23          1HB       GLN  23  -0.263  -0.311  -0.744
  156   1HG   GLN  23          2HG       GLN  23   1.074   1.246  -1.820
  157   2HG   GLN  23          1HG       GLN  23   0.452   0.828  -3.410
  158   1HE2  GLN  23          1HE2      GLN  23   0.466   3.188  -1.214
  159   2HE2  GLN  23          2HE2      GLN  23  -1.063   3.927  -1.531
  160    H    GLU  24           H        GLU  24   0.100  -3.109  -0.324
  161    HA   GLU  24           HA       GLU  24   2.547  -2.470   1.010
  162   1HB   GLU  24          2HB       GLU  24   0.274  -3.373   1.970
  163   2HB   GLU  24          1HB       GLU  24   0.965  -4.947   1.599
  164   1HG   GLU  24          2HG       GLU  24   2.500  -4.818   3.255
  165   2HG   GLU  24          1HG       GLU  24   2.660  -3.068   3.122
  166    H    ARG  25           H        ARG  25   1.465  -4.847  -1.257
  167    HA   ARG  25           HA       ARG  25   3.704  -6.613  -0.934
  168   1HB   ARG  25          2HB       ARG  25   1.156  -6.825  -1.989
  169   2HB   ARG  25          1HB       ARG  25   2.177  -6.844  -3.424
  170   1HG   ARG  25          2HG       ARG  25   3.548  -8.575  -1.943
  171   2HG   ARG  25          1HG       ARG  25   1.958  -8.806  -1.216
  172   1HD   ARG  25          2HD       ARG  25   1.030  -9.233  -3.466
  173   2HD   ARG  25          1HD       ARG  25   2.653  -9.080  -4.140
  174    HE   ARG  25           HE       ARG  25   2.966 -11.001  -2.274
  175   1HH1  ARG  25          1HH1      ARG  25   0.671 -10.593  -4.871
  176   2HH1  ARG  25          2HH1      ARG  25   0.455 -12.294  -5.115
  177   1HH2  ARG  25          1HH2      ARG  25   2.682 -13.241  -2.595
  178   2HH2  ARG  25          2HH2      ARG  25   1.595 -13.796  -3.824
  179    H    TYR  26           H        TYR  26   2.590  -4.442  -3.540
  180    HA   TYR  26           HA       TYR  26   4.963  -4.776  -5.095
  181   1HB   TYR  26          2HB       TYR  26   3.837  -3.672  -6.692
  182   2HB   TYR  26          1HB       TYR  26   2.487  -4.035  -5.644
  183    HD1  TYR  26          1HD       TYR  26   4.921  -1.284  -6.378
  184    HD2  TYR  26          2HD       TYR  26   1.083  -2.312  -4.972
  185    HE1  TYR  26          1HE       TYR  26   4.242   1.077  -6.409
  186    HE2  TYR  26          2HE       TYR  26   0.366  -0.017  -5.036
  187    HH   TYR  26           HH       TYR  26   1.629   2.279  -4.863
  188    H    THR  27           H        THR  27   3.706  -1.957  -3.273
  189    HA   THR  27           HA       THR  27   5.912  -0.325  -3.737
  190    HB   THR  27           HB       THR  27   4.417  -0.207  -1.141
  191    HG1  THR  27          1HG       THR  27   2.650  -0.161  -2.243
  192   1HG2  THR  27          1HG2      THR  27   4.444   2.279  -2.298
  193   2HG2  THR  27          2HG2      THR  27   6.015   1.606  -2.739
  194   3HG2  THR  27          3HG2      THR  27   5.540   1.700  -1.043
  195    H    ALA  28           H        ALA  28   5.540  -3.012  -1.588
  196    HA   ALA  28           HA       ALA  28   7.804  -2.300   0.042
  197   1HB   ALA  28          1HB       ALA  28   6.058  -3.655   1.023
  198   2HB   ALA  28          2HB       ALA  28   7.561  -4.577   0.978
  199   3HB   ALA  28          3HB       ALA  28   6.291  -4.901  -0.203
  200    H    GLY  29           H        GLY  29   7.190  -4.236  -2.812
  201   1HA   GLY  29          2HA       GLY  29   9.838  -5.414  -2.830
  202   2HA   GLY  29          1HA       GLY  29   8.604  -5.589  -4.067
  203    H    ILE  30           H        ILE  30   8.132  -2.898  -4.677
  204    HA   ILE  30           HA       ILE  30  10.239  -2.399  -6.506
  205    HB   ILE  30           HB       ILE  30   7.917  -1.727  -6.940
  206   1HG1  ILE  30          2HG1      ILE  30   8.418   0.596  -7.766
  207   2HG1  ILE  30          1HG1      ILE  30   9.949   0.512  -6.900
  208   1HG2  ILE  30          1HG2      ILE  30   6.768  -0.108  -5.767
  209   2HG2  ILE  30          2HG2      ILE  30   8.239   0.606  -5.105
  210   3HG2  ILE  30          3HG2      ILE  30   7.650  -0.936  -4.484
  211   1HD1  ILE  30          1HD1      ILE  30  10.902  -0.635  -8.538
  212   2HD1  ILE  30          2HD1      ILE  30   9.476  -0.265  -9.506
  213   3HD1  ILE  30          3HD1      ILE  30   9.565  -1.782  -8.612
  214    H    ASN  31           H        ASN  31   9.341  -0.901  -3.415
  215    HA   ASN  31           HA       ASN  31  11.368   1.105  -3.568
  216   1HB   ASN  31          2HB       ASN  31   9.162   0.902  -2.062
  217   2HB   ASN  31          1HB       ASN  31  10.327   0.246  -0.910
  218   1HD2  ASN  31          1HD2      ASN  31   8.846   2.982  -1.956
  219   2HD2  ASN  31          2HD2      ASN  31   9.972   4.160  -1.382
  220    H    SER  32           H        SER  32  11.088  -2.066  -2.027
  221    HA   SER  32           HA       SER  32  13.578  -1.976  -0.697
  222   1HB   SER  32          2HB       SER  32  11.876  -4.313  -1.594
  223   2HB   SER  32          1HB       SER  32  13.345  -4.495  -0.638
  224    HG   SER  32           HG       SER  32  12.149  -4.101   1.030
  225    H    PHE  33           H        PHE  33  12.662  -2.804  -3.963
  226    HA   PHE  33           HA       PHE  33  14.963  -4.210  -4.737
  227   1HB   PHE  33          2HB       PHE  33  13.611  -4.380  -6.527
  228   2HB   PHE  33          1HB       PHE  33  12.667  -2.986  -6.028
  229    HD1  PHE  33          1HD       PHE  33  12.671  -1.091  -7.345
  230    HD2  PHE  33          2HD       PHE  33  15.871  -3.856  -7.732
  231    HE1  PHE  33          1HE       PHE  33  13.525   0.185  -9.247
  232    HE2  PHE  33          2HE       PHE  33  16.734  -2.582  -9.652
  233    HZ   PHE  33           HZ       PHE  33  15.556  -0.559 -10.415
  234    H    VAL  34           H        VAL  34  14.242  -0.763  -4.612
  235    HA   VAL  34           HA       VAL  34  16.652   0.139  -5.827
  236    HB   VAL  34           HB       VAL  34  15.144   1.750  -3.797
  237   1HG1  VAL  34          1HG1      VAL  34  15.814   3.601  -5.171
  238   2HG1  VAL  34          2HG1      VAL  34  16.447   2.511  -6.404
  239   3HG1  VAL  34          3HG1      VAL  34  17.227   2.603  -4.824
  240   1HG2  VAL  34          1HG2      VAL  34  13.700   2.487  -5.774
  241   2HG2  VAL  34          2HG2      VAL  34  13.334   0.910  -5.069
  242   3HG2  VAL  34          3HG2      VAL  34  14.237   1.017  -6.575
  243    H    SER  35           H        SER  35  15.682   0.338  -2.415
  244    HA   SER  35           HA       SER  35  18.205   1.005  -1.436
  245   1HB   SER  35          2HB       SER  35  15.989  -0.533  -0.077
  246   2HB   SER  35          1HB       SER  35  17.387   0.151   0.751
  247    HG   SER  35           HG       SER  35  15.523   1.648  -0.780
  248    H    GLY  36           H        GLY  36  16.791  -2.117  -2.199
  249   1HA   GLY  36          2HA       GLY  36  18.734  -3.756  -0.965
  250   2HA   GLY  36          1HA       GLY  36  17.705  -4.226  -2.312
  251    H    VAL  37           H        VAL  37  18.515  -2.375  -4.221
  252    HA   VAL  37           HA       VAL  37  21.021  -3.556  -5.054
  253    HB   VAL  37           HB       VAL  37  20.727  -2.350  -7.128
  254   1HG1  VAL  37          1HG1      VAL  37  18.493  -3.890  -5.970
  255   2HG1  VAL  37          2HG1      VAL  37  19.463  -4.196  -7.410
  256   3HG1  VAL  37          3HG1      VAL  37  18.152  -3.015  -7.467
  257   1HG2  VAL  37          1HG2      VAL  37  18.297  -1.005  -5.955
  258   2HG2  VAL  37          2HG2      VAL  37  19.027  -0.731  -7.533
  259   3HG2  VAL  37          3HG2      VAL  37  19.879  -0.232  -6.072
  260    H    ALA  38           H        ALA  38  19.900  -0.583  -3.634
  261    HA   ALA  38           HA       ALA  38  22.228   0.969  -4.271
  262   1HB   ALA  38          1HB       ALA  38  21.212   2.519  -2.517
  263   2HB   ALA  38          2HB       ALA  38  19.869   1.377  -2.464
  264   3HB   ALA  38          3HB       ALA  38  20.268   2.201  -3.972
  265    H    SER  39           H        SER  39  21.391  -1.278  -1.769
  266    HA   SER  39           HA       SER  39  23.276  -0.301   0.160
  267   1HB   SER  39          2HB       SER  39  21.792  -2.929  -0.040
  268   2HB   SER  39          1HB       SER  39  22.812  -2.471   1.323
  269    HG   SER  39           HG       SER  39  20.426  -2.026   1.404
  270    H    GLY  40           H        GLY  40  23.241  -2.913  -2.231
  271   1HA   GLY  40          2HA       GLY  40  25.909  -3.770  -1.507
  272   2HA   GLY  40          1HA       GLY  40  24.919  -4.417  -2.806
  273    H    ALA  41           H        ALA  41  24.418  -2.231  -4.352
  274    HA   ALA  41           HA       ALA  41  26.886  -1.927  -5.735
  275   1HB   ALA  41          1HB       ALA  41  24.508  -0.201  -6.291
  276   2HB   ALA  41          2HB       ALA  41  24.457  -1.927  -6.654
  277   3HB   ALA  41          3HB       ALA  41  25.673  -0.901  -7.415
  278    H    GLY  42           H        GLY  42  24.743   0.532  -4.276
  279   1HA   GLY  42          2HA       GLY  42  25.459   2.293  -2.868
  280   2HA   GLY  42          1HA       GLY  42  27.113   2.000  -3.385
  281    H    SER  43           H        SER  43  24.173   2.552  -5.310
  282    HA   SER  43           HA       SER  43  25.440   4.231  -7.157
  283   1HB   SER  43          2HB       SER  43  23.036   3.018  -7.100
  284   2HB   SER  43          1HB       SER  43  22.538   4.661  -6.690
  285    HG   SER  43           HG       SER  43  22.729   5.088  -8.727
  286    H    ILE  44           H        ILE  44  23.226   5.111  -4.498
  287    HA   ILE  44           HA       ILE  44  24.766   7.366  -3.780
  288    HB   ILE  44           HB       ILE  44  23.504   7.994  -6.000
  289   1HG1  ILE  44          2HG1      ILE  44  23.209  10.213  -4.124
  290   2HG1  ILE  44          1HG1      ILE  44  24.749   9.373  -3.963
  291   1HG2  ILE  44          1HG2      ILE  44  21.273   7.449  -4.673
  292   2HG2  ILE  44          2HG2      ILE  44  21.357   8.702  -5.905
  293   3HG2  ILE  44          3HG2      ILE  44  21.451   9.137  -4.202
  294   1HD1  ILE  44          1HD1      ILE  44  24.206  11.370  -5.737
  295   2HD1  ILE  44          2HD1      ILE  44  24.010   9.924  -6.728
  296   3HD1  ILE  44          3HD1      ILE  44  25.526  10.209  -5.875
  297    H    GLY  45           H        GLY  45  21.575   5.858  -3.707
  298   1HA   GLY  45          2HA       GLY  45  20.074   5.545  -2.008
  299   2HA   GLY  45          1HA       GLY  45  21.492   5.443  -0.992
  300    H    ARG  46           H        ARG  46  21.104   8.525  -2.474
  301    HA   ARG  46           HA       ARG  46  19.839   9.508   0.005
  302   1HB   ARG  46          2HB       ARG  46  21.883  11.024  -1.618
  303   2HB   ARG  46          1HB       ARG  46  21.180  11.509  -0.084
  304   1HG   ARG  46          2HG       ARG  46  23.081   9.232  -0.574
  305   2HG   ARG  46          1HG       ARG  46  23.401  10.728   0.298
  306   1HD   ARG  46          2HD       ARG  46  22.069  10.089   2.114
  307   2HD   ARG  46          1HD       ARG  46  21.253   8.829   1.187
  308    HE   ARG  46           HE       ARG  46  24.027   8.297   1.358
  309   1HH1  ARG  46          1HH1      ARG  46  21.111   8.205   3.276
  310   2HH1  ARG  46          2HH1      ARG  46  21.681   6.932   4.302
  311   1HH2  ARG  46          1HH2      ARG  46  24.773   6.625   2.703
  312   2HH2  ARG  46          2HH2      ARG  46  23.760   6.035   3.977
  313    H    ARG  47           H        ARG  47  20.662  10.905  -3.173
  314    HA   ARG  47           HA       ARG  47  17.915  11.963  -3.314
  315   1HB   ARG  47          2HB       ARG  47  18.870  13.601  -4.938
  316   2HB   ARG  47          1HB       ARG  47  19.554  13.722  -3.324
  317   1HG   ARG  47          2HG       ARG  47  21.526  12.487  -4.055
  318   2HG   ARG  47          1HG       ARG  47  20.837  12.342  -5.673
  319   1HD   ARG  47          2HD       ARG  47  21.241  15.021  -4.386
  320   2HD   ARG  47          1HD       ARG  47  22.557  14.206  -5.231
  321    HE   ARG  47           HE       ARG  47  20.316  14.244  -6.908
  322   1HH1  ARG  47          1HH1      ARG  47  22.618  16.464  -5.506
  323   2HH1  ARG  47          2HH1      ARG  47  22.495  17.605  -6.802
  324   1HH2  ARG  47          1HH2      ARG  47  20.155  15.745  -8.613
  325   2HH2  ARG  47          2HH2      ARG  47  21.097  17.198  -8.566
  326    HA   PRO  48           HA       PRO  48  17.090   9.378  -6.802
  327   1HB   PRO  48          2HB       PRO  48  15.199  10.828  -8.086
  328   2HB   PRO  48          1HB       PRO  48  14.879   9.987  -6.564
  329   1HG   PRO  48          2HG       PRO  48  15.515  12.876  -7.035
  330   2HG   PRO  48          1HG       PRO  48  14.293  12.159  -5.967
  331   1HD   PRO  48          2HD       PRO  48  16.678  13.063  -5.054
  332   2HD   PRO  48          1HD       PRO  48  15.827  11.687  -4.315
  Start of MODEL   15
    1    H    VAL   1           H        VAL   1 -27.265  10.316   7.115
    2    HA   VAL   1           HA       VAL   1 -25.464   9.516   5.603
    3    HB   VAL   1           HB       VAL   1 -24.633  10.070   8.477
    4   1HG1  VAL   1          1HG1      VAL   1 -23.027   9.032   6.486
    5   2HG1  VAL   1          2HG1      VAL   1 -22.821  10.784   6.249
    6   3HG1  VAL   1          3HG1      VAL   1 -22.452  10.051   7.828
    7   1HG2  VAL   1          1HG2      VAL   1 -26.048  11.747   7.066
    8   2HG2  VAL   1          2HG2      VAL   1 -24.563  12.345   7.845
    9   3HG2  VAL   1          3HG2      VAL   1 -24.563  11.956   6.108
   10    H    ASN   2           H        ASN   2 -26.347   7.174   5.531
   11    HA   ASN   2           HA       ASN   2 -24.199   5.421   6.294
   12   1HB   ASN   2          2HB       ASN   2 -25.664   3.819   7.484
   13   2HB   ASN   2          1HB       ASN   2 -25.557   5.357   8.335
   14   1HD2  ASN   2          1HD2      ASN   2 -27.359   6.629   8.537
   15   2HD2  ASN   2          2HD2      ASN   2 -28.942   6.107   8.081
   16    H    TYR   3           H        TYR   3 -24.273   3.442   5.134
   17    HA   TYR   3           HA       TYR   3 -26.456   2.889   3.310
   18   1HB   TYR   3          2HB       TYR   3 -23.746   3.829   2.302
   19   2HB   TYR   3          1HB       TYR   3 -24.898   2.972   1.293
   20    HD1  TYR   3          1HD       TYR   3 -27.441   4.206   1.834
   21    HD2  TYR   3          2HD       TYR   3 -23.597   6.013   1.608
   22    HE1  TYR   3          1HE       TYR   3 -28.481   6.343   1.218
   23    HE2  TYR   3          2HE       TYR   3 -24.634   8.153   0.994
   24    HH   TYR   3           HH       TYR   3 -27.922   8.416   0.110
   25    H    GLY   4           H        GLY   4 -25.420   1.139   1.618
   26   1HA   GLY   4          2HA       GLY   4 -23.573  -0.669   2.969
   27   2HA   GLY   4          1HA       GLY   4 -25.229  -1.239   2.820
   28    H    ASN   5           H        ASN   5 -23.504   0.719   0.458
   29    HA   ASN   5           HA       ASN   5 -22.821  -1.491  -1.218
   30   1HB   ASN   5          2HB       ASN   5 -25.360  -1.141  -1.516
   31   2HB   ASN   5          1HB       ASN   5 -24.915   0.325  -2.386
   32   1HD2  ASN   5          1HD2      ASN   5 -25.647  -2.851  -2.734
   33   2HD2  ASN   5          2HD2      ASN   5 -24.899  -3.157  -4.262
   34    H    GLY   6           H        GLY   6 -23.822   1.890  -1.813
   35   1HA   GLY   6          2HA       GLY   6 -21.857   3.505  -1.826
   36   2HA   GLY   6          1HA       GLY   6 -21.139   2.370  -2.959
   37    H    VAL   7           H        VAL   7 -23.947   4.496  -2.493
   38    HA   VAL   7           HA       VAL   7 -24.453   4.496  -5.357
   39    HB   VAL   7           HB       VAL   7 -26.365   4.447  -3.798
   40   1HG1  VAL   7          1HG1      VAL   7 -24.963   6.258  -2.339
   41   2HG1  VAL   7          2HG1      VAL   7 -26.682   5.912  -2.137
   42   3HG1  VAL   7          3HG1      VAL   7 -26.166   7.288  -3.115
   43   1HG2  VAL   7          1HG2      VAL   7 -26.280   5.651  -6.133
   44   2HG2  VAL   7          2HG2      VAL   7 -26.550   7.093  -5.154
   45   3HG2  VAL   7          3HG2      VAL   7 -27.710   5.765  -5.107
   46    H    SER   8           H        SER   8 -22.075   5.431  -5.285
   47    HA   SER   8           HA       SER   8 -20.721   7.162  -5.861
   48   1HB   SER   8          2HB       SER   8 -21.604   8.862  -7.189
   49   2HB   SER   8          1HB       SER   8 -22.809   7.588  -7.367
   50    HG   SER   8           HG       SER   8 -23.617   9.765  -6.874
   51    H    CYS   9           H        CYS   9 -19.541   8.407  -4.576
   52    HA   CYS   9           HA       CYS   9 -20.821  10.300  -2.812
   53   1HB   CYS   9          2HB       CYS   9 -19.085   9.373  -0.984
   54   2HB   CYS   9          1HB       CYS   9 -20.750   8.822  -1.089
   55    H    SER  10           H        SER  10 -17.523   9.059  -2.479
   56    HA   SER  10           HA       SER  10 -15.568  10.284  -2.436
   57   1HB   SER  10          2HB       SER  10 -15.688   9.332  -4.712
   58   2HB   SER  10          1HB       SER  10 -16.494  10.797  -5.278
   59    HG   SER  10           HG       SER  10 -13.888  10.333  -5.032
   60    H    LYS  11           H        LYS  11 -16.738  11.795  -0.958
   61    HA   LYS  11           HA       LYS  11 -16.145  14.475  -1.723
   62   1HB   LYS  11          2HB       LYS  11 -18.342  15.444  -1.495
   63   2HB   LYS  11          1HB       LYS  11 -18.378  14.196  -2.726
   64   1HG   LYS  11          2HG       LYS  11 -19.216  12.702  -0.720
   65   2HG   LYS  11          1HG       LYS  11 -19.697  14.274  -0.069
   66   1HD   LYS  11          2HD       LYS  11 -20.973  14.758  -2.072
   67   2HD   LYS  11          1HD       LYS  11 -20.432  13.253  -2.815
   68   1HE   LYS  11          2HE       LYS  11 -22.366  12.429  -2.035
   69   2HE   LYS  11          1HE       LYS  11 -21.520  12.343  -0.490
   70   1HZ   LYS  11          1HZ       LYS  11 -22.856  14.850  -1.214
   71   2HZ   LYS  11          2HZ       LYS  11 -22.621  14.159   0.312
   72   3HZ   LYS  11          3HZ       LYS  11 -23.817  13.550  -0.716
   73    H    THR  12           H        THR  12 -17.024  12.097   0.607
   74    HA   THR  12           HA       THR  12 -15.890  13.732   2.726
   75    HB   THR  12           HB       THR  12 -18.209  14.306   2.964
   76    HG1  THR  12          1HG       THR  12 -17.583  14.097   4.978
   77   1HG2  THR  12          1HG2      THR  12 -18.942  11.449   3.403
   78   2HG2  THR  12          2HG2      THR  12 -18.990  12.148   1.788
   79   3HG2  THR  12          3HG2      THR  12 -19.986  12.830   3.074
   80    H    LYS  13           H        LYS  13 -16.781  10.690   1.384
   81    HA   LYS  13           HA       LYS  13 -14.934   9.313   3.095
   82   1HB   LYS  13          2HB       LYS  13 -17.540   9.408   3.971
   83   2HB   LYS  13          1HB       LYS  13 -17.494   7.889   3.092
   84   1HG   LYS  13          2HG       LYS  13 -17.005   7.423   5.362
   85   2HG   LYS  13          1HG       LYS  13 -15.501   7.254   4.451
   86   1HD   LYS  13          2HD       LYS  13 -14.537   9.056   5.455
   87   2HD   LYS  13          1HD       LYS  13 -16.068   9.921   5.612
   88   1HE   LYS  13          2HE       LYS  13 -16.597   8.907   7.598
   89   2HE   LYS  13          1HE       LYS  13 -15.684   7.448   7.218
   90   1HZ   LYS  13          1HZ       LYS  13 -14.788   9.935   8.448
   91   2HZ   LYS  13          2HZ       LYS  13 -13.696   9.171   7.405
   92   3HZ   LYS  13          3HZ       LYS  13 -14.303   8.342   8.749
   93    H    CYS  14           H        CYS  14 -15.692   6.690   2.509
   94    HA   CYS  14           HA       CYS  14 -15.733   5.104   0.843
   95   1HB   CYS  14          2HB       CYS  14 -16.167   7.318  -1.147
   96   2HB   CYS  14          1HB       CYS  14 -16.575   5.611  -1.339
   97    H    SER  15           H        SER  15 -14.032   4.174  -0.239
   98    HA   SER  15           HA       SER  15 -12.222   5.633  -1.823
   99   1HB   SER  15          2HB       SER  15 -10.205   5.299  -0.293
  100   2HB   SER  15          1HB       SER  15 -11.315   6.607   0.114
  101    HG   SER  15           HG       SER  15 -10.551   4.758   1.717
  102    H    VAL  16           H        VAL  16 -10.120   4.346  -2.144
  103    HA   VAL  16           HA       VAL  16 -10.892   1.729  -2.950
  104    HB   VAL  16           HB       VAL  16  -9.450   3.094  -4.370
  105   1HG1  VAL  16          1HG1      VAL  16  -8.237   3.904  -2.089
  106   2HG1  VAL  16          2HG1      VAL  16  -7.580   4.136  -3.709
  107   3HG1  VAL  16          3HG1      VAL  16  -7.041   2.776  -2.725
  108   1HG2  VAL  16          1HG2      VAL  16  -8.852   1.077  -5.089
  109   2HG2  VAL  16          2HG2      VAL  16  -8.658   0.457  -3.443
  110   3HG2  VAL  16          3HG2      VAL  16  -7.350   1.353  -4.204
  111    H    ASN  17           H        ASN  17 -11.382   0.792  -0.917
  112    HA   ASN  17           HA       ASN  17  -9.702   0.586   1.270
  113   1HB   ASN  17          2HB       ASN  17 -12.209  -0.259   0.742
  114   2HB   ASN  17          1HB       ASN  17 -11.353  -1.799   0.689
  115   1HD2  ASN  17          1HD2      ASN  17  -9.735  -2.017   2.588
  116   2HD2  ASN  17          2HD2      ASN  17 -10.371  -1.617   4.144
  117    H    TRP  18           H        TRP  18  -9.511  -1.120  -1.746
  118    HA   TRP  18           HA       TRP  18  -7.702  -3.140  -0.612
  119   1HB   TRP  18          2HB       TRP  18  -7.813  -4.238  -2.758
  120   2HB   TRP  18          1HB       TRP  18  -9.444  -3.823  -2.247
  121    HD1  TRP  18           HD       TRP  18  -6.722  -2.535  -4.667
  122    HE1  TRP  18          1HE       TRP  18  -7.892  -1.388  -6.643
  123    HE3  TRP  18          3HE       TRP  18 -11.566  -2.901  -3.088
  124    HZ2  TRP  18          2HZ       TRP  18 -10.504  -0.735  -7.439
  125    HZ3  TRP  18          3HZ       TRP  18 -13.342  -1.990  -4.524
  126    HH2  TRP  18           HH       TRP  18 -12.817  -0.928  -6.657
  127    H    GLY  19           H        GLY  19  -7.102  -0.145  -1.018
  128   1HA   GLY  19          2HA       GLY  19  -5.027  -0.009  -2.982
  129   2HA   GLY  19          1HA       GLY  19  -5.368   1.181  -1.736
  130    H    GLN  20           H        GLN  20  -5.103  -0.673   0.480
  131    HA   GLN  20           HA       GLN  20  -2.285  -0.460   0.852
  132   1HB   GLN  20          2HB       GLN  20  -4.521  -1.625   2.488
  133   2HB   GLN  20          1HB       GLN  20  -2.844  -1.827   2.975
  134   1HG   GLN  20          2HG       GLN  20  -2.652   0.290   3.666
  135   2HG   GLN  20          1HG       GLN  20  -3.583   0.925   2.311
  136   1HE2  GLN  20          1HE2      GLN  20  -3.705   1.608   5.140
  137   2HE2  GLN  20          2HE2      GLN  20  -5.334   1.321   5.636
  138    H    ALA  21           H        ALA  21  -4.442  -3.056  -0.071
  139    HA   ALA  21           HA       ALA  21  -2.761  -5.249   0.408
  140   1HB   ALA  21          1HB       ALA  21  -4.132  -6.432  -1.244
  141   2HB   ALA  21          2HB       ALA  21  -4.830  -4.897  -1.763
  142   3HB   ALA  21          3HB       ALA  21  -5.130  -5.494  -0.132
  143    H    PHE  22           H        PHE  22  -3.406  -3.870  -2.815
  144    HA   PHE  22           HA       PHE  22  -1.230  -5.090  -4.047
  145   1HB   PHE  22          2HB       PHE  22  -3.099  -3.928  -5.273
  146   2HB   PHE  22          1HB       PHE  22  -2.343  -2.392  -4.848
  147    HD1  PHE  22          1HD       PHE  22  -0.986  -5.641  -6.081
  148    HD2  PHE  22          2HD       PHE  22  -1.385  -1.458  -6.667
  149    HE1  PHE  22          1HE       PHE  22   0.545  -5.764  -7.979
  150    HE2  PHE  22          2HE       PHE  22   0.130  -1.570  -8.572
  151    HZ   PHE  22           HZ       PHE  22   1.104  -3.728  -9.252
  152    H    GLN  23           H        GLN  23  -1.366  -2.028  -2.270
  153    HA   GLN  23           HA       GLN  23   1.194  -1.147  -3.202
  154   1HB   GLN  23          2HB       GLN  23  -0.405   0.510  -2.450
  155   2HB   GLN  23          1HB       GLN  23  -0.483  -0.226  -0.855
  156   1HG   GLN  23          2HG       GLN  23   1.997   0.299  -0.656
  157   2HG   GLN  23          1HG       GLN  23   1.787   1.304  -2.089
  158   1HE2  GLN  23          1HE2      GLN  23   2.011   1.448   1.122
  159   2HE2  GLN  23          2HE2      GLN  23   1.045   2.843   1.448
  160    H    GLU  24           H        GLU  24   0.042  -2.881  -0.366
  161    HA   GLU  24           HA       GLU  24   2.514  -2.810   1.050
  162   1HB   GLU  24          2HB       GLU  24   0.265  -3.251   2.079
  163   2HB   GLU  24          1HB       GLU  24   0.275  -4.830   1.304
  164   1HG   GLU  24          2HG       GLU  24   2.706  -4.419   2.776
  165   2HG   GLU  24          1HG       GLU  24   1.302  -4.152   3.808
  166    H    ARG  25           H        ARG  25   1.087  -4.828  -1.368
  167    HA   ARG  25           HA       ARG  25   2.971  -6.983  -1.167
  168   1HB   ARG  25          2HB       ARG  25   0.446  -6.664  -2.198
  169   2HB   ARG  25          1HB       ARG  25   1.425  -6.654  -3.658
  170   1HG   ARG  25          2HG       ARG  25   1.831  -8.787  -1.611
  171   2HG   ARG  25          1HG       ARG  25   0.481  -8.884  -2.742
  172   1HD   ARG  25          2HD       ARG  25   3.372  -8.560  -3.531
  173   2HD   ARG  25          1HD       ARG  25   2.503 -10.093  -3.518
  174    HE   ARG  25           HE       ARG  25   2.266  -7.966  -5.459
  175   1HH1  ARG  25          1HH1      ARG  25   0.800 -10.836  -4.115
  176   2HH1  ARG  25          2HH1      ARG  25  -0.162 -11.151  -5.521
  177   1HH2  ARG  25          1HH2      ARG  25   1.001  -8.380  -7.303
  178   2HH2  ARG  25          2HH2      ARG  25  -0.048  -9.758  -7.330
  179    H    TYR  26           H        TYR  26   2.227  -4.593  -3.681
  180    HA   TYR  26           HA       TYR  26   4.494  -5.158  -5.274
  181   1HB   TYR  26          2HB       TYR  26   3.427  -3.890  -6.762
  182   2HB   TYR  26          1HB       TYR  26   2.128  -3.906  -5.588
  183    HD1  TYR  26          1HD       TYR  26   5.055  -1.838  -6.633
  184    HD2  TYR  26          2HD       TYR  26   1.258  -1.919  -4.805
  185    HE1  TYR  26          1HE       TYR  26   4.973   0.613  -6.637
  186    HE2  TYR  26          2HE       TYR  26   1.123   0.489  -4.816
  187    HH   TYR  26           HH       TYR  26   2.560   2.392  -6.519
  188    H    THR  27           H        THR  27   3.801  -2.198  -3.348
  189    HA   THR  27           HA       THR  27   6.262  -0.985  -3.752
  190    HB   THR  27           HB       THR  27   4.870  -0.762  -1.110
  191    HG1  THR  27          1HG       THR  27   3.132  -0.635  -2.340
  192   1HG2  THR  27          1HG2      THR  27   6.586   0.767  -1.159
  193   2HG2  THR  27          2HG2      THR  27   5.212   1.721  -1.718
  194   3HG2  THR  27          3HG2      THR  27   6.383   1.097  -2.880
  195    H    ALA  28           H        ALA  28   5.342  -3.430  -1.409
  196    HA   ALA  28           HA       ALA  28   7.593  -3.362   0.223
  197   1HB   ALA  28          1HB       ALA  28   7.078  -5.863   0.530
  198   2HB   ALA  28          2HB       ALA  28   5.706  -5.560  -0.537
  199   3HB   ALA  28          3HB       ALA  28   5.844  -4.690   0.991
  200    H    GLY  29           H        GLY  29   7.040  -5.261  -2.744
  201   1HA   GLY  29          2HA       GLY  29   9.653  -6.428  -2.716
  202   2HA   GLY  29          1HA       GLY  29   8.519  -6.451  -4.057
  203    H    ILE  30           H        ILE  30   8.212  -3.918  -4.807
  204    HA   ILE  30           HA       ILE  30  10.541  -3.352  -6.262
  205    HB   ILE  30           HB       ILE  30   8.218  -2.660  -6.886
  206   1HG1  ILE  30          2HG1      ILE  30   9.722  -0.122  -6.967
  207   2HG1  ILE  30          1HG1      ILE  30  10.606  -1.530  -7.544
  208   1HG2  ILE  30          1HG2      ILE  30   8.431  -0.136  -5.403
  209   2HG2  ILE  30          2HG2      ILE  30   8.072  -1.561  -4.426
  210   3HG2  ILE  30          3HG2      ILE  30   7.019  -1.126  -5.773
  211   1HD1  ILE  30          1HD1      ILE  30   7.852  -0.953  -8.546
  212   2HD1  ILE  30          2HD1      ILE  30   9.148  -1.881  -9.303
  213   3HD1  ILE  30          3HD1      ILE  30   9.255  -0.122  -9.218
  214    H    ASN  31           H        ASN  31   9.472  -2.206  -3.123
  215    HA   ASN  31           HA       ASN  31  11.230   0.028  -2.999
  216   1HB   ASN  31          2HB       ASN  31   9.256  -0.185  -1.514
  217   2HB   ASN  31          1HB       ASN  31  10.027  -1.554  -0.710
  218   1HD2  ASN  31          1HD2      ASN  31   9.481   1.684  -0.560
  219   2HD2  ASN  31          2HD2      ASN  31  10.762   2.144   0.506
  220    H    SER  32           H        SER  32  11.419  -3.286  -1.718
  221    HA   SER  32           HA       SER  32  13.894  -3.113  -0.481
  222   1HB   SER  32          2HB       SER  32  12.816  -5.524  -1.962
  223   2HB   SER  32          1HB       SER  32  14.004  -5.538  -0.657
  224    HG   SER  32           HG       SER  32  12.373  -5.634   0.649
  225    H    PHE  33           H        PHE  33  13.130  -3.671  -3.870
  226    HA   PHE  33           HA       PHE  33  15.684  -4.367  -4.779
  227   1HB   PHE  33          2HB       PHE  33  14.373  -4.636  -6.596
  228   2HB   PHE  33          1HB       PHE  33  13.138  -3.582  -5.932
  229    HD1  PHE  33          1HD       PHE  33  12.577  -1.735  -7.175
  230    HD2  PHE  33          2HD       PHE  33  16.517  -3.282  -7.494
  231    HE1  PHE  33          1HE       PHE  33  13.101  -0.040  -8.862
  232    HE2  PHE  33          2HE       PHE  33  17.044  -1.590  -9.192
  233    HZ   PHE  33           HZ       PHE  33  15.332   0.031  -9.884
  234    H    VAL  34           H        VAL  34  14.177  -1.259  -4.180
  235    HA   VAL  34           HA       VAL  34  16.181   0.374  -5.347
  236    HB   VAL  34           HB       VAL  34  14.415   1.219  -3.064
  237   1HG1  VAL  34          1HG1      VAL  34  14.482   3.374  -4.157
  238   2HG1  VAL  34          2HG1      VAL  34  15.427   2.698  -5.486
  239   3HG1  VAL  34          3HG1      VAL  34  16.118   2.785  -3.866
  240   1HG2  VAL  34          1HG2      VAL  34  12.911   1.900  -5.164
  241   2HG2  VAL  34          2HG2      VAL  34  12.723   0.364  -4.313
  242   3HG2  VAL  34          3HG2      VAL  34  13.637   0.433  -5.809
  243    H    SER  35           H        SER  35  15.459  -0.200  -1.926
  244    HA   SER  35           HA       SER  35  17.551   1.091  -0.752
  245   1HB   SER  35          2HB       SER  35  16.358  -1.568   0.007
  246   2HB   SER  35          1HB       SER  35  17.436  -0.639   1.047
  247    HG   SER  35           HG       SER  35  14.940  -0.404   1.111
  248    H    GLY  36           H        GLY  36  17.610  -2.333  -1.733
  249   1HA   GLY  36          2HA       GLY  36  20.345  -2.744  -1.149
  250   2HA   GLY  36          1HA       GLY  36  19.363  -3.744  -2.208
  251    H    VAL  37           H        VAL  37  18.710  -2.028  -4.228
  252    HA   VAL  37           HA       VAL  37  21.075  -2.043  -5.785
  253    HB   VAL  37           HB       VAL  37  18.657  -2.211  -6.619
  254   1HG1  VAL  37          1HG1      VAL  37  18.441   0.317  -5.504
  255   2HG1  VAL  37          2HG1      VAL  37  17.280  -0.481  -6.553
  256   3HG1  VAL  37          3HG1      VAL  37  18.484   0.603  -7.241
  257   1HG2  VAL  37          1HG2      VAL  37  20.513  -2.117  -8.146
  258   2HG2  VAL  37          2HG2      VAL  37  20.563  -0.357  -8.021
  259   3HG2  VAL  37          3HG2      VAL  37  19.175  -1.149  -8.764
  260    H    ALA  38           H        ALA  38  19.616   0.312  -3.693
  261    HA   ALA  38           HA       ALA  38  21.012   2.586  -4.797
  262   1HB   ALA  38          1HB       ALA  38  18.963   3.076  -3.767
  263   2HB   ALA  38          2HB       ALA  38  20.194   3.676  -2.655
  264   3HB   ALA  38          3HB       ALA  38  19.371   2.153  -2.321
  265    H    SER  39           H        SER  39  21.688   0.124  -2.452
  266    HA   SER  39           HA       SER  39  23.528   1.407  -0.808
  267   1HB   SER  39          2HB       SER  39  22.537  -1.034  -0.761
  268   2HB   SER  39          1HB       SER  39  24.017  -1.425  -1.636
  269    HG   SER  39           HG       SER  39  25.213  -0.783   0.080
  270    H    GLY  40           H        GLY  40  23.868   0.272  -4.082
  271   1HA   GLY  40          2HA       GLY  40  25.587   1.366  -5.429
  272   2HA   GLY  40          1HA       GLY  40  26.670   1.225  -4.052
  273    H    ALA  41           H        ALA  41  24.497  -1.236  -5.362
  274    HA   ALA  41           HA       ALA  41  26.409  -3.284  -5.265
  275   1HB   ALA  41          1HB       ALA  41  23.704  -2.962  -6.421
  276   2HB   ALA  41          2HB       ALA  41  24.326  -4.185  -5.314
  277   3HB   ALA  41          3HB       ALA  41  24.686  -4.290  -7.038
  278    H    GLY  42           H        GLY  42  25.361  -1.194  -7.919
  279   1HA   GLY  42          2HA       GLY  42  27.094  -0.501  -9.513
  280   2HA   GLY  42          1HA       GLY  42  27.690  -2.152  -9.480
  281    H    SER  43           H        SER  43  25.202  -0.012 -10.665
  282    HA   SER  43           HA       SER  43  24.826  -1.525 -13.022
  283   1HB   SER  43          2HB       SER  43  22.420  -2.116 -12.658
  284   2HB   SER  43          1HB       SER  43  23.538  -3.034 -11.651
  285    HG   SER  43           HG       SER  43  21.649  -2.142 -10.557
  286    H    ILE  44           H        ILE  44  23.103   0.680 -10.821
  287    HA   ILE  44           HA       ILE  44  23.105   2.731 -12.874
  288    HB   ILE  44           HB       ILE  44  20.540   3.083 -12.165
  289   1HG1  ILE  44          2HG1      ILE  44  20.517   0.124 -12.570
  290   2HG1  ILE  44          1HG1      ILE  44  20.829   0.739 -10.950
  291   1HG2  ILE  44          1HG2      ILE  44  19.972   1.865 -14.320
  292   2HG2  ILE  44          2HG2      ILE  44  21.685   1.455 -14.411
  293   3HG2  ILE  44          3HG2      ILE  44  21.180   3.145 -14.421
  294   1HD1  ILE  44          1HD1      ILE  44  18.705   2.100 -11.228
  295   2HD1  ILE  44          2HD1      ILE  44  18.524   0.355 -11.044
  296   3HD1  ILE  44          3HD1      ILE  44  18.380   1.093 -12.639
  297    H    GLY  45           H        GLY  45  21.037   2.389  -9.999
  298   1HA   GLY  45          2HA       GLY  45  20.914   3.634  -8.073
  299   2HA   GLY  45          1HA       GLY  45  22.663   3.767  -8.190
  300    H    ARG  46           H        ARG  46  20.589   4.964 -10.718
  301    HA   ARG  46           HA       ARG  46  21.051   7.715  -9.782
  302   1HB   ARG  46          2HB       ARG  46  21.645   6.503 -12.450
  303   2HB   ARG  46          1HB       ARG  46  21.132   8.183 -12.380
  304   1HG   ARG  46          2HG       ARG  46  22.989   8.582 -10.739
  305   2HG   ARG  46          1HG       ARG  46  23.559   6.951 -11.101
  306   1HD   ARG  46          2HD       ARG  46  23.658   7.613 -13.511
  307   2HD   ARG  46          1HD       ARG  46  23.294   9.265 -13.014
  308    HE   ARG  46           HE       ARG  46  25.543   8.188 -11.623
  309   1HH1  ARG  46          1HH1      ARG  46  24.543   9.657 -14.626
  310   2HH1  ARG  46          2HH1      ARG  46  26.113  10.293 -14.982
  311   1HH2  ARG  46          1HH2      ARG  46  27.609   9.023 -12.090
  312   2HH2  ARG  46          2HH2      ARG  46  27.855   9.933 -13.544
  313    H    ARG  47           H        ARG  47  18.724   6.028  -9.488
  314    HA   ARG  47           HA       ARG  47  16.788   7.258 -11.322
  315   1HB   ARG  47          2HB       ARG  47  16.810   4.784  -9.655
  316   2HB   ARG  47          1HB       ARG  47  15.262   5.550  -9.976
  317   1HG   ARG  47          2HG       ARG  47  17.135   4.946 -12.223
  318   2HG   ARG  47          1HG       ARG  47  16.107   3.683 -11.545
  319   1HD   ARG  47          2HD       ARG  47  14.569   4.412 -12.999
  320   2HD   ARG  47          1HD       ARG  47  14.344   5.747 -11.869
  321    HE   ARG  47           HE       ARG  47  15.201   7.132 -13.455
  322   1HH1  ARG  47          1HH1      ARG  47  16.357   3.904 -14.105
  323   2HH1  ARG  47          2HH1      ARG  47  17.174   4.355 -15.562
  324   1HH2  ARG  47          1HH2      ARG  47  16.277   7.728 -15.371
  325   2HH2  ARG  47          2HH2      ARG  47  17.130   6.526 -16.282
  326    HA   PRO  48           HA       PRO  48  15.486   9.959  -8.055
  327   1HB   PRO  48          2HB       PRO  48  13.141  10.817  -9.058
  328   2HB   PRO  48          1HB       PRO  48  14.689  11.293  -9.771
  329   1HG   PRO  48          2HG       PRO  48  12.777   9.157 -10.648
  330   2HG   PRO  48          1HG       PRO  48  13.631  10.362 -11.630
  331   1HD   PRO  48          2HD       PRO  48  14.477   7.788 -11.381
  332   2HD   PRO  48          1HD       PRO  48  15.586   9.155 -11.645
  Start of MODEL   16
    1    H    VAL   1           H        VAL   1 -12.163  -7.808 -23.232
    2    HA   VAL   1           HA       VAL   1 -13.836  -7.509 -21.421
    3    HB   VAL   1           HB       VAL   1 -11.612  -5.491 -21.764
    4   1HG1  VAL   1          1HG1      VAL   1 -12.724  -5.684 -19.058
    5   2HG1  VAL   1          2HG1      VAL   1 -12.300  -4.241 -20.008
    6   3HG1  VAL   1          3HG1      VAL   1 -13.894  -5.006 -20.215
    7   1HG2  VAL   1          1HG2      VAL   1 -12.022  -7.623 -19.642
    8   2HG2  VAL   1          2HG2      VAL   1 -11.311  -8.005 -21.229
    9   3HG2  VAL   1          3HG2      VAL   1 -10.505  -6.842 -20.149
   10    H    ASN   2           H        ASN   2 -15.003  -5.645 -20.240
   11    HA   ASN   2           HA       ASN   2 -15.918  -3.451 -21.786
   12   1HB   ASN   2          2HB       ASN   2 -17.450  -5.928 -21.897
   13   2HB   ASN   2          1HB       ASN   2 -18.399  -4.574 -21.314
   14   1HD2  ASN   2          1HD2      ASN   2 -18.917  -5.863 -23.704
   15   2HD2  ASN   2          2HD2      ASN   2 -18.600  -4.757 -24.995
   16    H    TYR   3           H        TYR   3 -18.419  -3.070 -20.403
   17    HA   TYR   3           HA       TYR   3 -19.238  -2.155 -18.493
   18   1HB   TYR   3          2HB       TYR   3 -17.330  -3.793 -16.843
   19   2HB   TYR   3          1HB       TYR   3 -19.005  -3.369 -16.504
   20    HD1  TYR   3          1HD       TYR   3 -16.997  -6.038 -17.170
   21    HD2  TYR   3          2HD       TYR   3 -20.609  -4.300 -18.573
   22    HE1  TYR   3          1HE       TYR   3 -17.685  -8.215 -18.076
   23    HE2  TYR   3          2HE       TYR   3 -21.311  -6.469 -19.479
   24    HH   TYR   3           HH       TYR   3 -19.633  -8.757 -20.264
   25    H    GLY   4           H        GLY   4 -18.634  -0.746 -16.578
   26   1HA   GLY   4          2HA       GLY   4 -16.181   0.109 -15.802
   27   2HA   GLY   4          1HA       GLY   4 -16.386   0.929 -17.341
   28    H    ASN   5           H        ASN   5 -17.238   0.813 -14.016
   29    HA   ASN   5           HA       ASN   5 -18.111   2.377 -12.629
   30   1HB   ASN   5          2HB       ASN   5 -18.086   4.071 -15.135
   31   2HB   ASN   5          1HB       ASN   5 -18.674   4.670 -13.587
   32   1HD2  ASN   5          1HD2      ASN   5 -16.929   6.231 -14.045
   33   2HD2  ASN   5          2HD2      ASN   5 -15.338   5.853 -13.484
   34    H    GLY   6           H        GLY   6 -19.754   0.509 -12.991
   35   1HA   GLY   6          2HA       GLY   6 -22.285   1.345 -12.543
   36   2HA   GLY   6          1HA       GLY   6 -22.203   1.309 -14.300
   37    H    VAL   7           H        VAL   7 -20.783  -0.819 -11.867
   38    HA   VAL   7           HA       VAL   7 -22.571  -2.989 -12.589
   39    HB   VAL   7           HB       VAL   7 -20.607  -4.541 -12.949
   40   1HG1  VAL   7          1HG1      VAL   7 -20.938  -2.388 -15.029
   41   2HG1  VAL   7          2HG1      VAL   7 -22.079  -3.703 -14.758
   42   3HG1  VAL   7          3HG1      VAL   7 -20.437  -4.057 -15.294
   43   1HG2  VAL   7          1HG2      VAL   7 -18.496  -3.581 -13.666
   44   2HG2  VAL   7          2HG2      VAL   7 -18.883  -3.042 -12.032
   45   3HG2  VAL   7          3HG2      VAL   7 -19.119  -1.952 -13.397
   46    H    SER   8           H        SER   8 -21.551  -5.082 -11.342
   47    HA   SER   8           HA       SER   8 -21.566  -4.296  -8.575
   48   1HB   SER   8          2HB       SER   8 -22.850  -6.256  -9.342
   49   2HB   SER   8          1HB       SER   8 -21.354  -7.033  -9.860
   50    HG   SER   8           HG       SER   8 -21.946  -6.246  -7.195
   51    H    CYS   9           H        CYS   9 -19.887  -6.650  -7.837
   52    HA   CYS   9           HA       CYS   9 -17.497  -5.397  -7.301
   53   1HB   CYS   9          2HB       CYS   9 -17.885  -8.368  -7.738
   54   2HB   CYS   9          1HB       CYS   9 -16.556  -7.614  -6.858
   55    H    SER  10           H        SER  10 -15.839  -4.787  -8.454
   56    HA   SER  10           HA       SER  10 -15.453  -5.960 -11.128
   57   1HB   SER  10          2HB       SER  10 -14.739  -3.152 -10.291
   58   2HB   SER  10          1HB       SER  10 -14.752  -3.814 -11.927
   59    HG   SER  10           HG       SER  10 -17.048  -4.100 -11.637
   60    H    LYS  11           H        LYS  11 -13.868  -4.527  -8.316
   61    HA   LYS  11           HA       LYS  11 -11.623  -6.281  -8.600
   62   1HB   LYS  11          2HB       LYS  11 -11.241  -3.324  -9.068
   63   2HB   LYS  11          1HB       LYS  11  -9.936  -4.416  -8.635
   64   1HG   LYS  11          2HG       LYS  11 -10.425  -5.737 -10.671
   65   2HG   LYS  11          1HG       LYS  11 -11.610  -4.515 -11.122
   66   1HD   LYS  11          2HD       LYS  11  -9.458  -2.959 -10.615
   67   2HD   LYS  11          1HD       LYS  11  -8.679  -4.418 -11.233
   68   1HE   LYS  11          2HE       LYS  11 -10.382  -4.298 -13.135
   69   2HE   LYS  11          1HE       LYS  11 -10.702  -2.656 -12.581
   70   1HZ   LYS  11          1HZ       LYS  11  -7.969  -3.576 -13.234
   71   2HZ   LYS  11          2HZ       LYS  11  -8.539  -1.988 -13.110
   72   3HZ   LYS  11          3HZ       LYS  11  -9.004  -2.954 -14.418
   73    H    THR  12           H        THR  12 -11.790  -3.014  -7.206
   74    HA   THR  12           HA       THR  12 -11.143  -4.139  -4.609
   75    HB   THR  12           HB       THR  12 -10.577  -1.944  -3.922
   76    HG1  THR  12          1HG       THR  12 -12.241  -0.722  -4.681
   77   1HG2  THR  12          1HG2      THR  12  -9.515  -2.962  -6.371
   78   2HG2  THR  12          2HG2      THR  12  -8.716  -2.044  -5.096
   79   3HG2  THR  12          3HG2      THR  12  -9.535  -1.201  -6.411
   80    H    LYS  13           H        LYS  13 -13.842  -2.504  -6.163
   81    HA   LYS  13           HA       LYS  13 -15.192  -2.054  -3.669
   82   1HB   LYS  13          2HB       LYS  13 -15.393  -0.857  -6.043
   83   2HB   LYS  13          1HB       LYS  13 -16.706  -2.016  -6.226
   84   1HG   LYS  13          2HG       LYS  13 -16.432   0.005  -4.005
   85   2HG   LYS  13          1HG       LYS  13 -17.532   0.102  -5.380
   86   1HD   LYS  13          2HD       LYS  13 -18.408  -2.181  -4.547
   87   2HD   LYS  13          1HD       LYS  13 -17.597  -1.768  -3.038
   88   1HE   LYS  13          2HE       LYS  13 -18.911   0.298  -2.903
   89   2HE   LYS  13          1HE       LYS  13 -19.718  -0.121  -4.414
   90   1HZ   LYS  13          1HZ       LYS  13 -19.793  -1.873  -2.028
   91   2HZ   LYS  13          2HZ       LYS  13 -20.764  -1.955  -3.408
   92   3HZ   LYS  13          3HZ       LYS  13 -20.955  -0.677  -2.317
   93    H    CYS  14           H        CYS  14 -15.282  -4.129  -2.752
   94    HA   CYS  14           HA       CYS  14 -17.695  -5.528  -3.384
   95   1HB   CYS  14          2HB       CYS  14 -15.837  -6.463  -4.942
   96   2HB   CYS  14          1HB       CYS  14 -15.212  -7.203  -3.473
   97    H    SER  15           H        SER  15 -14.661  -6.600  -1.858
   98    HA   SER  15           HA       SER  15 -15.710  -6.130   0.807
   99   1HB   SER  15          2HB       SER  15 -14.792  -8.926   0.387
  100   2HB   SER  15          1HB       SER  15 -16.020  -8.298   1.485
  101    HG   SER  15           HG       SER  15 -17.423  -8.897   0.058
  102    H    VAL  16           H        VAL  16 -14.039  -5.385   1.984
  103    HA   VAL  16           HA       VAL  16 -11.958  -5.226   2.908
  104    HB   VAL  16           HB       VAL  16 -11.049  -7.484   1.116
  105   1HG1  VAL  16          1HG1      VAL  16  -9.167  -6.458   2.049
  106   2HG1  VAL  16          2HG1      VAL  16  -9.491  -7.833   3.103
  107   3HG1  VAL  16          3HG1      VAL  16  -9.960  -6.208   3.603
  108   1HG2  VAL  16          1HG2      VAL  16 -11.457  -8.706   3.453
  109   2HG2  VAL  16          2HG2      VAL  16 -12.698  -8.608   2.202
  110   3HG2  VAL  16          3HG2      VAL  16 -12.724  -7.483   3.557
  111    H    ASN  17           H        ASN  17 -10.454  -3.710   2.449
  112    HA   ASN  17           HA       ASN  17 -10.417  -2.567  -0.156
  113   1HB   ASN  17          2HB       ASN  17  -9.989  -1.445   2.153
  114   2HB   ASN  17          1HB       ASN  17  -8.323  -1.965   1.905
  115   1HD2  ASN  17          1HD2      ASN  17 -10.962  -0.237   0.300
  116   2HD2  ASN  17          2HD2      ASN  17  -9.950   0.902  -0.516
  117    H    TRP  18           H        TRP  18  -9.173  -3.031  -1.835
  118    HA   TRP  18           HA       TRP  18  -7.013  -4.999  -1.536
  119   1HB   TRP  18          2HB       TRP  18  -8.979  -4.727  -3.427
  120   2HB   TRP  18          1HB       TRP  18  -7.615  -3.957  -4.236
  121    HD1  TRP  18           HD       TRP  18  -5.918  -5.535  -5.364
  122    HE1  TRP  18          1HE       TRP  18  -5.463  -8.068  -5.318
  123    HE3  TRP  18          3HE       TRP  18  -9.238  -6.892  -1.728
  124    HZ2  TRP  18          2HZ       TRP  18  -6.391 -10.340  -3.925
  125    HZ3  TRP  18          3HZ       TRP  18  -9.393  -9.263  -1.097
  126    HH2  TRP  18           HH       TRP  18  -7.999 -10.951  -2.174
  127    H    GLY  19           H        GLY  19  -7.547  -1.668  -2.636
  128   1HA   GLY  19          2HA       GLY  19  -5.180  -0.974  -3.779
  129   2HA   GLY  19          1HA       GLY  19  -6.073   0.104  -2.720
  130    H    GLN  20           H        GLN  20  -5.761  -1.017  -0.264
  131    HA   GLN  20           HA       GLN  20  -3.145  -0.208   0.429
  132   1HB   GLN  20          2HB       GLN  20  -5.434  -0.435   1.814
  133   2HB   GLN  20          1HB       GLN  20  -4.651  -1.923   2.325
  134   1HG   GLN  20          2HG       GLN  20  -2.642  -0.095   2.601
  135   2HG   GLN  20          1HG       GLN  20  -4.071   0.845   3.032
  136   1HE2  GLN  20          1HE2      GLN  20  -3.694   0.994   5.189
  137   2HE2  GLN  20          2HE2      GLN  20  -3.691  -0.360   6.263
  138    H    ALA  21           H        ALA  21  -4.596  -3.348  -0.143
  139    HA   ALA  21           HA       ALA  21  -2.491  -4.936   0.882
  140   1HB   ALA  21          1HB       ALA  21  -4.761  -5.407  -0.998
  141   2HB   ALA  21          2HB       ALA  21  -4.476  -6.085   0.605
  142   3HB   ALA  21          3HB       ALA  21  -3.526  -6.646  -0.772
  143    H    PHE  22           H        PHE  22  -3.356  -4.471  -2.550
  144    HA   PHE  22           HA       PHE  22  -1.004  -5.497  -3.614
  145   1HB   PHE  22          2HB       PHE  22  -3.072  -4.867  -4.931
  146   2HB   PHE  22          1HB       PHE  22  -2.516  -3.194  -4.855
  147    HD1  PHE  22          1HD       PHE  22  -1.542  -2.453  -6.722
  148    HD2  PHE  22          2HD       PHE  22  -0.946  -6.501  -5.592
  149    HE1  PHE  22          1HE       PHE  22  -0.032  -2.744  -8.618
  150    HE2  PHE  22          2HE       PHE  22   0.566  -6.814  -7.489
  151    HZ   PHE  22           HZ       PHE  22   1.025  -4.939  -9.028
  152    H    GLN  23           H        GLN  23  -1.425  -2.459  -2.012
  153    HA   GLN  23           HA       GLN  23   0.786  -1.289  -3.433
  154   1HB   GLN  23          2HB       GLN  23  -1.002   0.183  -2.716
  155   2HB   GLN  23          1HB       GLN  23  -0.736  -0.265  -1.034
  156   1HG   GLN  23          2HG       GLN  23   1.404   0.783  -1.018
  157   2HG   GLN  23          1HG       GLN  23   1.345   1.049  -2.758
  158   1HE2  GLN  23          1HE2      GLN  23   1.097   3.098  -3.185
  159   2HE2  GLN  23          2HE2      GLN  23   0.066   4.203  -2.348
  160    H    GLU  24           H        GLU  24   0.193  -2.529  -0.182
  161    HA   GLU  24           HA       GLU  24   2.817  -2.005   0.778
  162   1HB   GLU  24          2HB       GLU  24   0.529  -2.618   2.010
  163   2HB   GLU  24          1HB       GLU  24   1.196  -4.241   1.904
  164   1HG   GLU  24          2HG       GLU  24   2.869  -2.028   2.984
  165   2HG   GLU  24          1HG       GLU  24   1.633  -2.767   3.999
  166    H    ARG  25           H        ARG  25   1.239  -4.613  -0.878
  167    HA   ARG  25           HA       ARG  25   3.244  -6.579  -0.586
  168   1HB   ARG  25          2HB       ARG  25   0.678  -6.476  -1.565
  169   2HB   ARG  25          1HB       ARG  25   1.622  -6.676  -3.032
  170   1HG   ARG  25          2HG       ARG  25   2.760  -8.616  -1.830
  171   2HG   ARG  25          1HG       ARG  25   1.444  -8.496  -0.661
  172   1HD   ARG  25          2HD       ARG  25  -0.166  -9.104  -2.220
  173   2HD   ARG  25          1HD       ARG  25   0.856  -8.671  -3.590
  174    HE   ARG  25           HE       ARG  25   0.753 -11.192  -2.249
  175   1HH1  ARG  25          1HH1      ARG  25   2.841  -9.039  -4.036
  176   2HH1  ARG  25          2HH1      ARG  25   3.884 -10.307  -4.586
  177   1HH2  ARG  25          1HH2      ARG  25   2.123 -12.860  -2.975
  178   2HH2  ARG  25          2HH2      ARG  25   3.476 -12.476  -3.984
  179    H    TYR  26           H        TYR  26   2.403  -4.478  -3.355
  180    HA   TYR  26           HA       TYR  26   4.647  -5.286  -4.867
  181   1HB   TYR  26          2HB       TYR  26   3.817  -3.997  -6.530
  182   2HB   TYR  26          1HB       TYR  26   2.383  -4.203  -5.555
  183    HD1  TYR  26          1HD       TYR  26   1.147  -2.407  -5.008
  184    HD2  TYR  26          2HD       TYR  26   5.171  -1.786  -6.139
  185    HE1  TYR  26          1HE       TYR  26   0.707  -0.014  -5.059
  186    HE2  TYR  26          2HE       TYR  26   4.772   0.625  -6.171
  187    HH   TYR  26           HH       TYR  26   1.625   2.039  -5.398
  188    H    THR  27           H        THR  27   4.161  -2.543  -2.672
  189    HA   THR  27           HA       THR  27   6.506  -1.136  -3.366
  190    HB   THR  27           HB       THR  27   6.435  -0.490  -0.808
  191    HG1  THR  27          1HG       THR  27   4.980  -1.643   0.163
  192   1HG2  THR  27          1HG2      THR  27   5.827   1.307  -1.976
  193   2HG2  THR  27          2HG2      THR  27   4.207   0.854  -1.443
  194   3HG2  THR  27          3HG2      THR  27   4.771   0.392  -3.046
  195    H    ALA  28           H        ALA  28   5.930  -3.697  -0.984
  196    HA   ALA  28           HA       ALA  28   8.459  -3.842   0.131
  197   1HB   ALA  28          1HB       ALA  28   7.834  -6.421   0.205
  198   2HB   ALA  28          2HB       ALA  28   6.256  -5.798  -0.275
  199   3HB   ALA  28          3HB       ALA  28   7.009  -5.237   1.218
  200    H    GLY  29           H        GLY  29   7.232  -5.261  -2.862
  201   1HA   GLY  29          2HA       GLY  29   9.679  -6.633  -3.483
  202   2HA   GLY  29          1HA       GLY  29   8.316  -6.382  -4.566
  203    H    ILE  30           H        ILE  30   8.110  -3.725  -4.844
  204    HA   ILE  30           HA       ILE  30  10.292  -3.116  -6.564
  205    HB   ILE  30           HB       ILE  30   7.965  -2.368  -6.982
  206   1HG1  ILE  30          2HG1      ILE  30   9.269   0.230  -6.958
  207   2HG1  ILE  30          1HG1      ILE  30  10.361  -1.040  -7.500
  208   1HG2  ILE  30          1HG2      ILE  30   6.922  -0.652  -5.808
  209   2HG2  ILE  30          2HG2      ILE  30   8.417  -0.176  -5.000
  210   3HG2  ILE  30          3HG2      ILE  30   7.618  -1.685  -4.562
  211   1HD1  ILE  30          1HD1      ILE  30   8.755  -1.691  -9.212
  212   2HD1  ILE  30          2HD1      ILE  30   9.213   0.005  -9.366
  213   3HD1  ILE  30          3HD1      ILE  30   7.654  -0.429  -8.663
  214    H    ASN  31           H        ASN  31   9.191  -1.628  -3.486
  215    HA   ASN  31           HA       ASN  31  11.165   0.319  -3.294
  216   1HB   ASN  31          2HB       ASN  31   9.070  -0.303  -1.759
  217   2HB   ASN  31          1HB       ASN  31  10.327  -1.061  -0.787
  218   1HD2  ASN  31          1HD2      ASN  31   8.646   1.726  -1.292
  219   2HD2  ASN  31          2HD2      ASN  31   9.730   2.847  -0.550
  220    H    SER  32           H        SER  32  11.183  -2.998  -1.976
  221    HA   SER  32           HA       SER  32  13.664  -2.989  -0.781
  222   1HB   SER  32          2HB       SER  32  12.229  -5.201  -2.258
  223   2HB   SER  32          1HB       SER  32  13.733  -5.464  -1.376
  224    HG   SER  32           HG       SER  32  11.177  -4.852  -0.404
  225    H    PHE  33           H        PHE  33  12.882  -3.570  -4.187
  226    HA   PHE  33           HA       PHE  33  15.398  -4.254  -5.132
  227   1HB   PHE  33          2HB       PHE  33  14.074  -4.409  -6.944
  228   2HB   PHE  33          1HB       PHE  33  12.893  -3.299  -6.264
  229    HD1  PHE  33          1HD       PHE  33  16.192  -3.332  -7.988
  230    HD2  PHE  33          2HD       PHE  33  12.572  -1.219  -7.247
  231    HE1  PHE  33          1HE       PHE  33  16.851  -1.628  -9.630
  232    HE2  PHE  33          2HE       PHE  33  13.226   0.479  -8.889
  233    HZ   PHE  33           HZ       PHE  33  15.365   0.280 -10.086
  234    H    VAL  34           H        VAL  34  14.098  -1.083  -4.334
  235    HA   VAL  34           HA       VAL  34  16.224   0.433  -5.497
  236    HB   VAL  34           HB       VAL  34  14.502   1.411  -3.249
  237   1HG1  VAL  34          1HG1      VAL  34  16.340   2.814  -4.107
  238   2HG1  VAL  34          2HG1      VAL  34  14.750   3.539  -4.341
  239   3HG1  VAL  34          3HG1      VAL  34  15.583   2.785  -5.699
  240   1HG2  VAL  34          1HG2      VAL  34  12.860   0.457  -4.610
  241   2HG2  VAL  34          2HG2      VAL  34  13.710   0.881  -6.094
  242   3HG2  VAL  34          3HG2      VAL  34  12.925   2.138  -5.141
  243    H    SER  35           H        SER  35  15.379  -0.086  -2.094
  244    HA   SER  35           HA       SER  35  17.674   0.965  -0.973
  245   1HB   SER  35          2HB       SER  35  16.129  -1.433   0.022
  246   2HB   SER  35          1HB       SER  35  17.202  -0.421   0.986
  247    HG   SER  35           HG       SER  35  15.447   0.682   1.354
  248    H    GLY  36           H        GLY  36  17.127  -2.275  -2.264
  249   1HA   GLY  36          2HA       GLY  36  19.516  -3.475  -1.410
  250   2HA   GLY  36          1HA       GLY  36  18.584  -3.960  -2.821
  251    H    VAL  37           H        VAL  37  18.765  -1.643  -4.349
  252    HA   VAL  37           HA       VAL  37  21.459  -1.912  -5.361
  253    HB   VAL  37           HB       VAL  37  20.744  -0.449  -7.182
  254   1HG1  VAL  37          1HG1      VAL  37  20.210  -2.598  -7.751
  255   2HG1  VAL  37          2HG1      VAL  37  18.614  -1.850  -7.828
  256   3HG1  VAL  37          3HG1      VAL  37  19.081  -2.792  -6.409
  257   1HG2  VAL  37          1HG2      VAL  37  18.677   0.641  -7.299
  258   2HG2  VAL  37          2HG2      VAL  37  19.227   0.942  -5.652
  259   3HG2  VAL  37          3HG2      VAL  37  18.005  -0.291  -5.962
  260    H    ALA  38           H        ALA  38  19.590   0.370  -3.516
  261    HA   ALA  38           HA       ALA  38  21.335   2.595  -3.835
  262   1HB   ALA  38          1HB       ALA  38  20.080   3.508  -1.899
  263   2HB   ALA  38          2HB       ALA  38  19.271   1.949  -1.733
  264   3HB   ALA  38          3HB       ALA  38  19.035   2.914  -3.190
  265    H    SER  39           H        SER  39  21.234  -0.175  -1.724
  266    HA   SER  39           HA       SER  39  23.180   0.864   0.137
  267   1HB   SER  39          2HB       SER  39  22.876  -1.120   1.343
  268   2HB   SER  39          1HB       SER  39  21.298  -0.858   0.599
  269    HG   SER  39           HG       SER  39  21.577  -2.569  -0.617
  270    H    GLY  40           H        GLY  40  23.150  -1.567  -2.464
  271   1HA   GLY  40          2HA       GLY  40  26.112  -1.430  -2.488
  272   2HA   GLY  40          1HA       GLY  40  25.245  -2.944  -2.692
  273    H    ALA  41           H        ALA  41  24.617   0.252  -4.111
  274    HA   ALA  41           HA       ALA  41  23.898  -0.601  -6.625
  275   1HB   ALA  41          1HB       ALA  41  23.790   1.583  -7.145
  276   2HB   ALA  41          2HB       ALA  41  25.438   1.900  -6.605
  277   3HB   ALA  41          3HB       ALA  41  24.126   1.818  -5.430
  278    H    GLY  42           H        GLY  42  27.109  -0.302  -5.290
  279   1HA   GLY  42          2HA       GLY  42  28.614  -0.195  -7.649
  280   2HA   GLY  42          1HA       GLY  42  29.174  -0.855  -6.121
  281    H    SER  43           H        SER  43  28.242  -3.099  -5.633
  282    HA   SER  43           HA       SER  43  28.235  -5.311  -6.144
  283   1HB   SER  43          2HB       SER  43  26.174  -4.379  -7.462
  284   2HB   SER  43          1HB       SER  43  27.166  -4.711  -8.881
  285    HG   SER  43           HG       SER  43  25.709  -6.415  -7.509
  286    H    ILE  44           H        ILE  44  30.611  -4.892  -6.187
  287    HA   ILE  44           HA       ILE  44  32.705  -5.085  -7.071
  288    HB   ILE  44           HB       ILE  44  32.988  -7.103  -8.540
  289   1HG1  ILE  44          2HG1      ILE  44  30.011  -7.419  -8.085
  290   2HG1  ILE  44          1HG1      ILE  44  30.745  -6.966  -9.621
  291   1HG2  ILE  44          1HG2      ILE  44  31.362  -7.550  -6.044
  292   2HG2  ILE  44          2HG2      ILE  44  33.080  -7.153  -6.070
  293   3HG2  ILE  44          3HG2      ILE  44  32.513  -8.667  -6.776
  294   1HD1  ILE  44          1HD1      ILE  44  30.224  -9.288  -9.682
  295   2HD1  ILE  44          2HD1      ILE  44  31.052  -9.569  -8.151
  296   3HD1  ILE  44          3HD1      ILE  44  31.977  -9.125  -9.586
  297    H    GLY  45           H        GLY  45  31.313  -3.029  -8.414
  298   1HA   GLY  45          2HA       GLY  45  31.448  -3.227 -11.218
  299   2HA   GLY  45          1HA       GLY  45  31.465  -1.735 -10.298
  300    H    ARG  46           H        ARG  46  33.783  -1.685  -8.992
  301    HA   ARG  46           HA       ARG  46  35.659  -1.056 -10.982
  302   1HB   ARG  46          2HB       ARG  46  35.898  -1.374  -8.006
  303   2HB   ARG  46          1HB       ARG  46  37.276  -0.931  -9.004
  304   1HG   ARG  46          2HG       ARG  46  34.694   0.613  -8.887
  305   2HG   ARG  46          1HG       ARG  46  36.136   0.995  -7.946
  306   1HD   ARG  46          2HD       ARG  46  37.243   0.900 -10.369
  307   2HD   ARG  46          1HD       ARG  46  35.603   1.340 -10.842
  308    HE   ARG  46           HE       ARG  46  36.337   3.040  -8.775
  309   1HH1  ARG  46          1HH1      ARG  46  37.363   2.343 -12.037
  310   2HH1  ARG  46          2HH1      ARG  46  37.942   3.948 -12.332
  311   1HH2  ARG  46          1HH2      ARG  46  37.098   5.153  -9.161
  312   2HH2  ARG  46          2HH2      ARG  46  37.792   5.544 -10.699
  313    H    ARG  47           H        ARG  47  35.252  -3.987  -9.082
  314    HA   ARG  47           HA       ARG  47  36.286  -6.012  -9.156
  315   1HB   ARG  47          2HB       ARG  47  37.185  -5.287 -11.941
  316   2HB   ARG  47          1HB       ARG  47  36.861  -6.887 -11.293
  317   1HG   ARG  47          2HG       ARG  47  34.441  -5.847 -10.976
  318   2HG   ARG  47          1HG       ARG  47  34.989  -4.833 -12.312
  319   1HD   ARG  47          2HD       ARG  47  35.754  -7.211 -13.248
  320   2HD   ARG  47          1HD       ARG  47  34.412  -7.736 -12.230
  321    HE   ARG  47           HE       ARG  47  33.797  -5.532 -13.985
  322   1HH1  ARG  47          1HH1      ARG  47  33.876  -9.002 -13.631
  323   2HH1  ARG  47          2HH1      ARG  47  32.684  -9.279 -14.855
  324   1HH2  ARG  47          1HH2      ARG  47  32.226  -5.892 -15.590
  325   2HH2  ARG  47          2HH2      ARG  47  31.747  -7.513 -15.969
  326    HA   PRO  48           HA       PRO  48  40.346  -4.244  -7.885
  327   1HB   PRO  48          2HB       PRO  48  40.242  -6.793  -6.355
  328   2HB   PRO  48          1HB       PRO  48  40.685  -5.171  -5.806
  329   1HG   PRO  48          2HG       PRO  48  38.326  -6.244  -5.171
  330   2HG   PRO  48          1HG       PRO  48  38.481  -4.517  -5.539
  331   1HD   PRO  48          2HD       PRO  48  37.357  -6.718  -7.205
  332   2HD   PRO  48          1HD       PRO  48  36.870  -5.013  -7.099
  Start of MODEL   17
    1    H    VAL   1           H        VAL   1   0.586   2.771  17.990
    2    HA   VAL   1           HA       VAL   1   2.464   4.081  18.955
    3    HB   VAL   1           HB       VAL   1   0.778   5.235  17.530
    4   1HG1  VAL   1          1HG1      VAL   1  -0.515   6.144  20.120
    5   2HG1  VAL   1          2HG1      VAL   1  -1.125   6.309  18.456
    6   3HG1  VAL   1          3HG1      VAL   1  -1.100   4.712  19.240
    7   1HG2  VAL   1          1HG2      VAL   1   2.673   6.508  18.410
    8   2HG2  VAL   1          2HG2      VAL   1   1.216   7.529  18.438
    9   3HG2  VAL   1          3HG2      VAL   1   1.811   6.787  19.942
   10    H    ASN   2           H        ASN   2   1.643   6.378  20.584
   11    HA   ASN   2           HA       ASN   2   0.872   5.380  23.155
   12   1HB   ASN   2          2HB       ASN   2   3.752   6.052  22.592
   13   2HB   ASN   2          1HB       ASN   2   3.076   6.128  24.215
   14   1HD2  ASN   2          1HD2      ASN   2   2.095   4.149  25.049
   15   2HD2  ASN   2          2HD2      ASN   2   2.768   2.628  24.580
   16    H    TYR   3           H        TYR   3   0.369   7.569  21.107
   17    HA   TYR   3           HA       TYR   3   1.084  10.018  22.460
   18   1HB   TYR   3          2HB       TYR   3  -0.959   9.765  20.246
   19   2HB   TYR   3          1HB       TYR   3   0.065  11.142  20.640
   20    HD1  TYR   3          1HD       TYR   3   2.459  11.122  20.023
   21    HD2  TYR   3          2HD       TYR   3  -0.171   7.999  18.830
   22    HE1  TYR   3          1HE       TYR   3   4.096  10.389  18.347
   23    HE2  TYR   3          2HE       TYR   3   1.463   7.260  17.155
   24    HH   TYR   3           HH       TYR   3   4.247   9.124  16.344
   25    H    GLY   4           H        GLY   4  -1.460  11.348  21.875
   26   1HA   GLY   4          2HA       GLY   4  -3.658  10.198  23.167
   27   2HA   GLY   4          1HA       GLY   4  -2.727  11.084  24.372
   28    H    ASN   5           H        ASN   5  -4.204  11.433  21.165
   29    HA   ASN   5           HA       ASN   5  -5.519  13.113  20.332
   30   1HB   ASN   5          2HB       ASN   5  -5.939  13.575  22.927
   31   2HB   ASN   5          1HB       ASN   5  -4.958  14.996  22.578
   32   1HD2  ASN   5          1HD2      ASN   5  -7.662  15.037  23.365
   33   2HD2  ASN   5          2HD2      ASN   5  -8.583  15.713  22.069
   34    H    GLY   6           H        GLY   6  -3.911  13.279  18.742
   35   1HA   GLY   6          2HA       GLY   6  -2.974  15.510  17.820
   36   2HA   GLY   6          1HA       GLY   6  -1.877  15.357  19.185
   37    H    VAL   7           H        VAL   7  -2.779  14.071  16.063
   38    HA   VAL   7           HA       VAL   7  -1.642  12.827  14.529
   39    HB   VAL   7           HB       VAL   7   0.779  13.599  16.169
   40   1HG1  VAL   7          1HG1      VAL   7   1.305  11.729  14.753
   41   2HG1  VAL   7          2HG1      VAL   7   2.022  13.184  14.066
   42   3HG1  VAL   7          3HG1      VAL   7   0.547  12.515  13.368
   43   1HG2  VAL   7          1HG2      VAL   7   0.242  15.660  15.460
   44   2HG2  VAL   7          2HG2      VAL   7  -0.884  15.055  14.246
   45   3HG2  VAL   7          3HG2      VAL   7   0.843  15.109  13.898
   46    H    SER   8           H        SER   8  -1.869  10.684  14.446
   47    HA   SER   8           HA       SER   8  -0.274   8.910  15.967
   48   1HB   SER   8          2HB       SER   8  -1.931   7.857  17.354
   49   2HB   SER   8          1HB       SER   8  -1.959   9.585  17.697
   50    HG   SER   8           HG       SER   8  -4.054   9.040  17.432
   51    H    CYS   9           H        CYS   9  -0.059   7.071  14.909
   52    HA   CYS   9           HA       CYS   9  -0.337   5.398  13.429
   53   1HB   CYS   9          2HB       CYS   9  -3.173   6.172  13.956
   54   2HB   CYS   9          1HB       CYS   9  -2.830   5.034  12.655
   55    H    SER  10           H        SER  10  -2.428   8.094  12.380
   56    HA   SER  10           HA       SER  10  -2.628   9.194  10.420
   57   1HB   SER  10          2HB       SER  10  -0.652   9.610   9.093
   58   2HB   SER  10          1HB       SER  10  -0.220   9.670  10.798
   59    HG   SER  10           HG       SER  10   1.234   8.252  10.269
   60    H    LYS  11           H        LYS  11  -3.626   6.540  10.470
   61    HA   LYS  11           HA       LYS  11  -4.705   5.191   8.978
   62   1HB   LYS  11          2HB       LYS  11  -4.534   7.224   7.419
   63   2HB   LYS  11          1HB       LYS  11  -3.159   6.404   6.698
   64   1HG   LYS  11          2HG       LYS  11  -4.474   4.654   5.888
   65   2HG   LYS  11          1HG       LYS  11  -5.821   5.055   6.954
   66   1HD   LYS  11          2HD       LYS  11  -6.650   6.570   5.520
   67   2HD   LYS  11          1HD       LYS  11  -5.056   7.236   5.166
   68   1HE   LYS  11          2HE       LYS  11  -5.986   4.604   4.052
   69   2HE   LYS  11          1HE       LYS  11  -6.304   6.136   3.240
   70   1HZ   LYS  11          1HZ       LYS  11  -4.141   6.393   2.672
   71   2HZ   LYS  11          2HZ       LYS  11  -4.155   4.703   2.751
   72   3HZ   LYS  11          3HZ       LYS  11  -3.551   5.605   4.049
   73    H    THR  12           H        THR  12  -1.387   5.670   7.749
   74    HA   THR  12           HA       THR  12  -1.139   2.818   7.301
   75    HB   THR  12           HB       THR  12  -0.241   4.175   5.572
   76    HG1  THR  12          1HG       THR  12   2.000   3.372   7.109
   77   1HG2  THR  12          1HG2      THR  12   1.865   5.613   6.298
   78   2HG2  THR  12          2HG2      THR  12   0.920   5.758   7.780
   79   3HG2  THR  12          3HG2      THR  12   0.233   6.281   6.242
   80    H    LYS  13           H        LYS  13  -1.394   2.570   9.761
   81    HA   LYS  13           HA       LYS  13   1.211   1.954  10.796
   82   1HB   LYS  13          2HB       LYS  13   0.942   4.349  11.410
   83   2HB   LYS  13          1HB       LYS  13  -0.494   3.920  12.325
   84   1HG   LYS  13          2HG       LYS  13   0.872   3.733  14.071
   85   2HG   LYS  13          1HG       LYS  13   1.390   2.210  13.346
   86   1HD   LYS  13          2HD       LYS  13   2.759   4.490  12.180
   87   2HD   LYS  13          1HD       LYS  13   2.993   4.403  13.926
   88   1HE   LYS  13          2HE       LYS  13   4.723   3.087  13.194
   89   2HE   LYS  13          1HE       LYS  13   3.464   1.875  13.425
   90   1HZ   LYS  13          1HZ       LYS  13   3.200   1.587  11.195
   91   2HZ   LYS  13          2HZ       LYS  13   4.841   1.993  11.219
   92   3HZ   LYS  13          3HZ       LYS  13   3.690   3.159  10.803
   93    H    CYS  14           H        CYS  14  -2.160   2.432  11.862
   94    HA   CYS  14           HA       CYS  14  -2.092  -0.308  12.947
   95   1HB   CYS  14          2HB       CYS  14  -3.591   0.469  14.744
   96   2HB   CYS  14          1HB       CYS  14  -2.036   1.299  14.775
   97    H    SER  15           H        SER  15  -2.926   0.295  10.342
   98    HA   SER  15           HA       SER  15  -5.725  -0.521  10.534
   99   1HB   SER  15          2HB       SER  15  -5.061   1.465   8.405
  100   2HB   SER  15          1HB       SER  15  -6.597   1.155   9.212
  101    HG   SER  15           HG       SER  15  -4.362   2.575  10.206
  102    H    VAL  16           H        VAL  16  -6.504  -0.976   8.128
  103    HA   VAL  16           HA       VAL  16  -4.494  -1.963   6.344
  104    HB   VAL  16           HB       VAL  16  -4.407  -3.774   7.970
  105   1HG1  VAL  16          1HG1      VAL  16  -6.968  -3.292   8.541
  106   2HG1  VAL  16          2HG1      VAL  16  -6.183  -4.833   8.889
  107   3HG1  VAL  16          3HG1      VAL  16  -7.179  -4.656   7.443
  108   1HG2  VAL  16          1HG2      VAL  16  -5.957  -5.112   5.854
  109   2HG2  VAL  16          2HG2      VAL  16  -4.304  -5.393   6.403
  110   3HG2  VAL  16          3HG2      VAL  16  -4.653  -4.064   5.296
  111    H    ASN  17           H        ASN  17  -5.459  -0.988   4.666
  112    HA   ASN  17           HA       ASN  17  -8.275  -1.656   4.080
  113   1HB   ASN  17          2HB       ASN  17  -6.638   0.785   3.702
  114   2HB   ASN  17          1HB       ASN  17  -7.699   0.365   2.355
  115   1HD2  ASN  17          1HD2      ASN  17  -9.848   0.685   2.540
  116   2HD2  ASN  17          2HD2      ASN  17 -10.619   1.343   3.940
  117    H    TRP  18           H        TRP  18  -8.828  -2.216   1.904
  118    HA   TRP  18           HA       TRP  18  -7.302  -4.139   0.694
  119   1HB   TRP  18          2HB       TRP  18  -9.741  -3.039   0.156
  120   2HB   TRP  18          1HB       TRP  18  -8.811  -2.460  -1.224
  121    HD1  TRP  18           HD       TRP  18  -7.385  -4.561  -2.538
  122    HE1  TRP  18          1HE       TRP  18  -8.282  -6.903  -3.126
  123    HE3  TRP  18          3HE       TRP  18 -11.316  -4.781   0.732
  124    HZ2  TRP  18          2HZ       TRP  18 -10.372  -8.616  -2.311
  125    HZ3  TRP  18          3HZ       TRP  18 -12.711  -6.809   0.765
  126    HH2  TRP  18           HH       TRP  18 -12.248  -8.685  -0.727
  127    H    GLY  19           H        GLY  19  -7.105  -0.669   0.310
  128   1HA   GLY  19          2HA       GLY  19  -5.504  -0.534  -1.993
  129   2HA   GLY  19          1HA       GLY  19  -5.569   0.681  -0.726
  130    H    GLN  20           H        GLN  20  -4.488  -0.437   1.424
  131    HA   GLN  20           HA       GLN  20  -1.751  -0.307   0.978
  132   1HB   GLN  20          2HB       GLN  20  -3.194  -1.619   3.289
  133   2HB   GLN  20          1HB       GLN  20  -1.500  -1.150   3.277
  134   1HG   GLN  20          2HG       GLN  20  -2.488   1.211   2.692
  135   2HG   GLN  20          1HG       GLN  20  -3.936   0.547   3.447
  136   1HE2  GLN  20          1HE2      GLN  20  -2.445  -1.120   5.305
  137   2HE2  GLN  20          2HE2      GLN  20  -1.790  -0.058   6.496
  138    H    ALA  21           H        ALA  21  -3.884  -2.997   0.618
  139    HA   ALA  21           HA       ALA  21  -2.056  -5.114   0.977
  140   1HB   ALA  21          1HB       ALA  21  -4.145  -5.492  -1.064
  141   2HB   ALA  21          2HB       ALA  21  -4.721  -4.968   0.519
  142   3HB   ALA  21          3HB       ALA  21  -3.775  -6.448   0.371
  143    H    PHE  22           H        PHE  22  -3.368  -4.070  -2.173
  144    HA   PHE  22           HA       PHE  22  -1.460  -5.327  -3.732
  145   1HB   PHE  22          2HB       PHE  22  -3.512  -4.143  -4.616
  146   2HB   PHE  22          1HB       PHE  22  -2.629  -2.623  -4.435
  147    HD1  PHE  22          1HD       PHE  22  -2.611  -5.893  -6.165
  148    HD2  PHE  22          2HD       PHE  22  -1.035  -1.956  -5.943
  149    HE1  PHE  22          1HE       PHE  22  -1.424  -6.246  -8.279
  150    HE2  PHE  22          2HE       PHE  22   0.136  -2.290  -8.052
  151    HZ   PHE  22           HZ       PHE  22  -0.053  -4.440  -9.249
  152    H    GLN  23           H        GLN  23  -1.200  -2.272  -2.028
  153    HA   GLN  23           HA       GLN  23   1.171  -1.464  -3.441
  154   1HB   GLN  23          2HB       GLN  23  -0.544  -0.389  -1.285
  155   2HB   GLN  23          1HB       GLN  23   1.146   0.076  -1.186
  156   1HG   GLN  23          2HG       GLN  23   1.086   1.219  -3.194
  157   2HG   GLN  23          1HG       GLN  23  -0.367   0.380  -3.740
  158   1HE2  GLN  23          1HE2      GLN  23  -2.120   0.652  -1.784
  159   2HE2  GLN  23          2HE2      GLN  23  -2.461   2.312  -1.453
  160    H    GLU  24           H        GLU  24   0.472  -2.691  -0.181
  161    HA   GLU  24           HA       GLU  24   3.105  -2.659   0.784
  162   1HB   GLU  24          2HB       GLU  24   1.144  -2.950   2.239
  163   2HB   GLU  24          1HB       GLU  24   0.827  -4.512   1.506
  164   1HG   GLU  24          2HG       GLU  24   2.939  -5.359   2.370
  165   2HG   GLU  24          1HG       GLU  24   3.274  -3.788   3.097
  166    H    ARG  25           H        ARG  25   1.393  -4.772  -1.318
  167    HA   ARG  25           HA       ARG  25   3.264  -6.943  -1.169
  168   1HB   ARG  25          2HB       ARG  25   0.629  -6.592  -2.036
  169   2HB   ARG  25          1HB       ARG  25   1.532  -6.902  -3.510
  170   1HG   ARG  25          2HG       ARG  25   2.495  -8.925  -2.396
  171   2HG   ARG  25          1HG       ARG  25   1.372  -8.644  -1.066
  172   1HD   ARG  25          2HD       ARG  25   0.240  -8.722  -3.804
  173   2HD   ARG  25          1HD       ARG  25   0.807 -10.246  -3.123
  174    HE   ARG  25           HE       ARG  25  -1.557  -8.844  -2.411
  175   1HH1  ARG  25          1HH1      ARG  25   0.984 -10.831  -1.083
  176   2HH1  ARG  25          2HH1      ARG  25   0.006 -11.435   0.213
  177   1HH2  ARG  25          1HH2      ARG  25  -2.846  -9.638  -0.709
  178   2HH2  ARG  25          2HH2      ARG  25  -2.169 -10.758   0.425
  179    H    TYR  26           H        TYR  26   2.280  -4.659  -3.725
  180    HA   TYR  26           HA       TYR  26   4.503  -5.369  -5.405
  181   1HB   TYR  26          2HB       TYR  26   3.393  -4.283  -7.031
  182   2HB   TYR  26          1HB       TYR  26   2.060  -4.368  -5.900
  183    HD1  TYR  26          1HD       TYR  26   4.810  -2.108  -7.006
  184    HD2  TYR  26          2HD       TYR  26   0.973  -2.442  -5.267
  185    HE1  TYR  26          1HE       TYR  26   4.542   0.327  -7.099
  186    HE2  TYR  26          2HE       TYR  26   0.675  -0.027  -5.350
  187    HH   TYR  26           HH       TYR  26   1.803   1.902  -6.946
  188    H    THR  27           H        THR  27   3.731  -2.483  -3.435
  189    HA   THR  27           HA       THR  27   6.017  -1.032  -4.204
  190    HB   THR  27           HB       THR  27   4.823  -0.710  -1.474
  191    HG1  THR  27          1HG       THR  27   3.167   0.550  -2.492
  192   1HG2  THR  27          1HG2      THR  27   4.968   1.713  -2.137
  193   2HG2  THR  27          2HG2      THR  27   5.881   1.184  -3.550
  194   3HG2  THR  27          3HG2      THR  27   6.508   0.880  -1.931
  195    H    ALA  28           H        ALA  28   5.462  -3.367  -1.624
  196    HA   ALA  28           HA       ALA  28   7.871  -3.050  -0.239
  197   1HB   ALA  28          1HB       ALA  28   7.509  -5.425   0.484
  198   2HB   ALA  28          2HB       ALA  28   6.126  -5.475  -0.608
  199   3HB   ALA  28          3HB       ALA  28   6.137  -4.348   0.749
  200    H    GLY  29           H        GLY  29   7.082  -5.275  -2.918
  201   1HA   GLY  29          2HA       GLY  29   9.689  -6.401  -3.054
  202   2HA   GLY  29          1HA       GLY  29   8.455  -6.502  -4.302
  203    H    ILE  30           H        ILE  30   8.140  -3.788  -4.889
  204    HA   ILE  30           HA       ILE  30  10.369  -3.397  -6.625
  205    HB   ILE  30           HB       ILE  30   8.065  -2.728  -7.225
  206   1HG1  ILE  30          2HG1      ILE  30   9.252  -0.097  -7.418
  207   2HG1  ILE  30          1HG1      ILE  30  10.460  -1.342  -7.714
  208   1HG2  ILE  30          1HG2      ILE  30   6.933  -0.937  -6.246
  209   2HG2  ILE  30          2HG2      ILE  30   8.381  -0.352  -5.426
  210   3HG2  ILE  30          3HG2      ILE  30   7.599  -1.835  -4.882
  211   1HD1  ILE  30          1HD1      ILE  30   9.079  -2.297  -9.461
  212   2HD1  ILE  30          2HD1      ILE  30   9.388  -0.588  -9.772
  213   3HD1  ILE  30          3HD1      ILE  30   7.824  -1.102  -9.141
  214    H    ASN  31           H        ASN  31   9.173  -1.659  -3.755
  215    HA   ASN  31           HA       ASN  31  11.109   0.354  -3.708
  216   1HB   ASN  31          2HB       ASN  31   8.958   0.172  -2.315
  217   2HB   ASN  31          1HB       ASN  31   9.898  -0.832  -1.210
  218   1HD2  ASN  31          1HD2      ASN  31   8.678   2.008  -1.242
  219   2HD2  ASN  31          2HD2      ASN  31   9.941   2.975  -0.572
  220    H    SER  32           H        SER  32  11.114  -2.895  -2.300
  221    HA   SER  32           HA       SER  32  13.468  -2.685  -0.814
  222   1HB   SER  32          2HB       SER  32  13.632  -5.192  -1.144
  223   2HB   SER  32          1HB       SER  32  12.086  -4.627  -0.510
  224    HG   SER  32           HG       SER  32  12.702  -5.747  -2.973
  225    H    PHE  33           H        PHE  33  12.970  -3.693  -4.178
  226    HA   PHE  33           HA       PHE  33  15.520  -4.348  -4.941
  227   1HB   PHE  33          2HB       PHE  33  14.224  -4.581  -6.795
  228   2HB   PHE  33          1HB       PHE  33  13.119  -3.311  -6.290
  229    HD1  PHE  33          1HD       PHE  33  15.823  -4.185  -8.470
  230    HD2  PHE  33          2HD       PHE  33  13.784  -0.916  -6.686
  231    HE1  PHE  33          1HE       PHE  33  16.815  -2.665 -10.130
  232    HE2  PHE  33          2HE       PHE  33  14.768   0.614  -8.340
  233    HZ   PHE  33           HZ       PHE  33  16.285  -0.262 -10.070
  234    H    VAL  34           H        VAL  34  14.122  -1.135  -4.516
  235    HA   VAL  34           HA       VAL  34  16.351   0.294  -5.559
  236    HB   VAL  34           HB       VAL  34  14.458   1.502  -3.569
  237   1HG1  VAL  34          1HG1      VAL  34  15.613   2.645  -6.096
  238   2HG1  VAL  34          2HG1      VAL  34  16.444   2.718  -4.543
  239   3HG1  VAL  34          3HG1      VAL  34  14.878   3.505  -4.744
  240   1HG2  VAL  34          1HG2      VAL  34  12.829   1.896  -5.295
  241   2HG2  VAL  34          2HG2      VAL  34  13.127   0.165  -5.202
  242   3HG2  VAL  34          3HG2      VAL  34  13.849   1.112  -6.499
  243    H    SER  35           H        SER  35  15.174   0.206  -2.203
  244    HA   SER  35           HA       SER  35  17.332   1.347  -0.968
  245   1HB   SER  35          2HB       SER  35  15.688  -0.973   0.072
  246   2HB   SER  35          1HB       SER  35  16.696   0.087   1.056
  247    HG   SER  35           HG       SER  35  14.434   0.854  -0.481
  248    H    GLY  36           H        GLY  36  16.905  -2.158  -1.531
  249   1HA   GLY  36          2HA       GLY  36  19.377  -2.995  -0.534
  250   2HA   GLY  36          1HA       GLY  36  18.448  -3.845  -1.757
  251    H    VAL  37           H        VAL  37  18.481  -2.039  -3.826
  252    HA   VAL  37           HA       VAL  37  21.089  -2.465  -4.908
  253    HB   VAL  37           HB       VAL  37  18.659  -1.000  -5.939
  254   1HG1  VAL  37          1HG1      VAL  37  21.398  -1.181  -7.103
  255   2HG1  VAL  37          2HG1      VAL  37  20.260   0.166  -7.107
  256   3HG1  VAL  37          3HG1      VAL  37  19.997  -1.213  -8.174
  257   1HG2  VAL  37          1HG2      VAL  37  18.213  -2.887  -7.177
  258   2HG2  VAL  37          2HG2      VAL  37  18.898  -3.588  -5.714
  259   3HG2  VAL  37          3HG2      VAL  37  19.890  -3.426  -7.161
  260    H    ALA  38           H        ALA  38  19.548   0.107  -3.190
  261    HA   ALA  38           HA       ALA  38  21.366   2.176  -4.054
  262   1HB   ALA  38          1HB       ALA  38  20.090   3.634  -2.802
  263   2HB   ALA  38          2HB       ALA  38  19.640   2.398  -1.627
  264   3HB   ALA  38          3HB       ALA  38  18.912   2.395  -3.231
  265    H    SER  39           H        SER  39  21.290  -0.235  -1.581
  266    HA   SER  39           HA       SER  39  22.970   1.021   0.316
  267   1HB   SER  39          2HB       SER  39  21.476  -1.080   0.577
  268   2HB   SER  39          1HB       SER  39  22.860  -1.960  -0.069
  269    HG   SER  39           HG       SER  39  22.555  -1.484   2.375
  270    H    GLY  40           H        GLY  40  23.615  -0.823  -2.590
  271   1HA   GLY  40          2HA       GLY  40  25.758  -0.244  -3.683
  272   2HA   GLY  40          1HA       GLY  40  26.512  -0.429  -2.108
  273    H    ALA  41           H        ALA  41  24.154  -2.769  -2.458
  274    HA   ALA  41           HA       ALA  41  24.182  -5.008  -2.858
  275   1HB   ALA  41          1HB       ALA  41  26.328  -4.213  -4.807
  276   2HB   ALA  41          2HB       ALA  41  24.616  -4.476  -5.140
  277   3HB   ALA  41          3HB       ALA  41  25.646  -5.834  -4.689
  278    H    GLY  42           H        GLY  42  26.237  -3.586  -1.002
  279   1HA   GLY  42          2HA       GLY  42  27.286  -5.926   0.155
  280   2HA   GLY  42          1HA       GLY  42  28.536  -5.184  -0.831
  281    H    SER  43           H        SER  43  26.215  -4.435   1.750
  282    HA   SER  43           HA       SER  43  28.099  -2.413   2.760
  283   1HB   SER  43          2HB       SER  43  25.158  -2.605   2.697
  284   2HB   SER  43          1HB       SER  43  25.830  -2.016   4.216
  285    HG   SER  43           HG       SER  43  26.437  -0.971   1.648
  286    H    ILE  44           H        ILE  44  26.792  -5.509   3.403
  287    HA   ILE  44           HA       ILE  44  26.760  -6.873   5.249
  288    HB   ILE  44           HB       ILE  44  28.943  -7.112   6.341
  289   1HG1  ILE  44          2HG1      ILE  44  29.800  -4.691   4.743
  290   2HG1  ILE  44          1HG1      ILE  44  29.418  -4.648   6.462
  291   1HG2  ILE  44          1HG2      ILE  44  30.300  -7.503   4.290
  292   2HG2  ILE  44          2HG2      ILE  44  29.043  -6.689   3.360
  293   3HG2  ILE  44          3HG2      ILE  44  28.676  -8.185   4.218
  294   1HD1  ILE  44          1HD1      ILE  44  31.680  -6.076   5.104
  295   2HD1  ILE  44          2HD1      ILE  44  31.220  -6.377   6.780
  296   3HD1  ILE  44          3HD1      ILE  44  31.762  -4.772   6.289
  297    H    GLY  45           H        GLY  45  25.346  -4.571   5.802
  298   1HA   GLY  45          2HA       GLY  45  25.750  -4.411   8.699
  299   2HA   GLY  45          1HA       GLY  45  25.745  -2.901   7.798
  300    H    ARG  46           H        ARG  46  23.790  -5.880   7.904
  301    HA   ARG  46           HA       ARG  46  21.386  -4.313   7.465
  302   1HB   ARG  46          2HB       ARG  46  21.998  -7.244   7.569
  303   2HB   ARG  46          1HB       ARG  46  20.334  -6.692   7.703
  304   1HG   ARG  46          2HG       ARG  46  20.396  -6.945   5.465
  305   2HG   ARG  46          1HG       ARG  46  21.059  -5.312   5.534
  306   1HD   ARG  46          2HD       ARG  46  22.885  -6.047   4.507
  307   2HD   ARG  46          1HD       ARG  46  23.224  -7.077   5.897
  308    HE   ARG  46           HE       ARG  46  21.366  -8.421   4.345
  309   1HH1  ARG  46          1HH1      ARG  46  24.636  -7.253   3.998
  310   2HH1  ARG  46          2HH1      ARG  46  25.091  -8.488   2.873
  311   1HH2  ARG  46          1HH2      ARG  46  21.961 -10.046   2.866
  312   2HH2  ARG  46          2HH2      ARG  46  23.572 -10.075   2.229
  313    H    ARG  47           H        ARG  47  22.862  -6.222  10.029
  314    HA   ARG  47           HA       ARG  47  22.179  -6.696  12.176
  315   1HB   ARG  47          2HB       ARG  47  21.890  -3.695  12.136
  316   2HB   ARG  47          1HB       ARG  47  22.158  -4.691  13.558
  317   1HG   ARG  47          2HG       ARG  47  24.179  -5.222  11.592
  318   2HG   ARG  47          1HG       ARG  47  24.084  -3.491  11.923
  319   1HD   ARG  47          2HD       ARG  47  24.749  -3.730  14.087
  320   2HD   ARG  47          1HD       ARG  47  24.042  -5.338  14.242
  321    HE   ARG  47           HE       ARG  47  26.028  -5.863  12.584
  322   1HH1  ARG  47          1HH1      ARG  47  26.033  -3.900  15.476
  323   2HH1  ARG  47          2HH1      ARG  47  27.705  -4.188  15.812
  324   1HH2  ARG  47          1HH2      ARG  47  28.221  -6.241  13.032
  325   2HH2  ARG  47          2HH2      ARG  47  28.948  -5.516  14.427
  326    HA   PRO  48           HA       PRO  48  17.662  -6.703  11.977
  327   1HB   PRO  48          2HB       PRO  48  17.283  -8.960  13.379
  328   2HB   PRO  48          1HB       PRO  48  17.833  -8.997  11.698
  329   1HG   PRO  48          2HG       PRO  48  19.425  -9.279  14.218
  330   2HG   PRO  48          1HG       PRO  48  19.537 -10.214  12.717
  331   1HD   PRO  48          2HD       PRO  48  21.228  -8.158  13.353
  332   2HD   PRO  48          1HD       PRO  48  20.841  -8.633  11.687
  Start of MODEL   18
    1    H    VAL   1           H        VAL   1 -16.714   3.061   5.421
    2    HA   VAL   1           HA       VAL   1 -17.451   4.874   3.891
    3    HB   VAL   1           HB       VAL   1 -19.132   3.271   3.975
    4   1HG1  VAL   1          1HG1      VAL   1 -20.512   2.933   6.105
    5   2HG1  VAL   1          2HG1      VAL   1 -18.806   2.431   6.199
    6   3HG1  VAL   1          3HG1      VAL   1 -19.322   3.970   6.928
    7   1HG2  VAL   1          1HG2      VAL   1 -21.055   4.516   3.831
    8   2HG2  VAL   1          2HG2      VAL   1 -20.806   5.277   5.421
    9   3HG2  VAL   1          3HG2      VAL   1 -19.914   5.872   4.000
   10    H    ASN   2           H        ASN   2 -16.154   6.546   5.286
   11    HA   ASN   2           HA       ASN   2 -17.933   8.733   5.770
   12   1HB   ASN   2          2HB       ASN   2 -16.555   7.337   8.031
   13   2HB   ASN   2          1HB       ASN   2 -16.714   9.090   8.090
   14   1HD2  ASN   2          1HD2      ASN   2 -17.961   6.671   9.513
   15   2HD2  ASN   2          2HD2      ASN   2 -19.647   7.046   9.525
   16    H    TYR   3           H        TYR   3 -16.758   9.725   4.103
   17    HA   TYR   3           HA       TYR   3 -13.881   9.825   4.235
   18   1HB   TYR   3          2HB       TYR   3 -15.788  11.354   2.428
   19   2HB   TYR   3          1HB       TYR   3 -14.042  11.238   2.223
   20    HD1  TYR   3          1HD       TYR   3 -17.200   9.731   1.499
   21    HD2  TYR   3          2HD       TYR   3 -13.042   8.910   1.851
   22    HE1  TYR   3          1HE       TYR   3 -17.504   7.662   0.212
   23    HE2  TYR   3          2HE       TYR   3 -13.336   6.840   0.560
   24    HH   TYR   3           HH       TYR   3 -15.252   5.227   0.083
   25    H    GLY   4           H        GLY   4 -12.606  11.618   4.675
   26   1HA   GLY   4          2HA       GLY   4 -12.258  13.908   5.287
   27   2HA   GLY   4          1HA       GLY   4 -13.925  13.982   5.850
   28    H    ASN   5           H        ASN   5 -14.473  12.848   7.816
   29    HA   ASN   5           HA       ASN   5 -12.404  13.074   9.791
   30   1HB   ASN   5          2HB       ASN   5 -15.248  12.103  10.084
   31   2HB   ASN   5          1HB       ASN   5 -14.171  12.563  11.401
   32   1HD2  ASN   5          1HD2      ASN   5 -16.780  13.641  10.581
   33   2HD2  ASN   5          2HD2      ASN   5 -16.526  15.329  10.312
   34    H    GLY   6           H        GLY   6 -14.382  10.388   8.538
   35   1HA   GLY   6          2HA       GLY   6 -13.418   8.352  10.153
   36   2HA   GLY   6          1HA       GLY   6 -14.026   8.125   8.521
   37    H    VAL   7           H        VAL   7 -12.389   8.782   6.778
   38    HA   VAL   7           HA       VAL   7  -9.935   7.329   7.371
   39    HB   VAL   7           HB       VAL   7 -11.178   6.816   5.301
   40   1HG1  VAL   7          1HG1      VAL   7 -11.991   9.095   4.841
   41   2HG1  VAL   7          2HG1      VAL   7 -11.209   8.359   3.441
   42   3HG1  VAL   7          3HG1      VAL   7 -10.351   9.570   4.396
   43   1HG2  VAL   7          1HG2      VAL   7  -8.722   6.458   5.493
   44   2HG2  VAL   7          2HG2      VAL   7  -8.481   8.012   4.694
   45   3HG2  VAL   7          3HG2      VAL   7  -9.283   6.696   3.838
   46    H    SER   8           H        SER   8  -8.032   8.258   7.763
   47    HA   SER   8           HA       SER   8  -7.813  11.124   7.824
   48   1HB   SER   8          2HB       SER   8  -6.778   9.542   9.510
   49   2HB   SER   8          1HB       SER   8  -5.600   9.112   8.268
   50    HG   SER   8           HG       SER   8  -4.573  10.878   8.718
   51    H    CYS   9           H        CYS   9  -8.090  11.603   5.564
   52    HA   CYS   9           HA       CYS   9  -6.398  10.603   3.542
   53   1HB   CYS   9          2HB       CYS   9  -8.657  12.029   3.471
   54   2HB   CYS   9          1HB       CYS   9  -7.509  13.352   3.270
   55    H    SER  10           H        SER  10  -6.255  13.539   5.497
   56    HA   SER  10           HA       SER  10  -4.620  15.048   5.892
   57   1HB   SER  10          2HB       SER  10  -2.221  13.934   5.808
   58   2HB   SER  10          1HB       SER  10  -3.373  13.538   7.081
   59    HG   SER  10           HG       SER  10  -2.242  11.783   5.762
   60    H    LYS  11           H        LYS  11  -2.596  13.220   3.629
   61    HA   LYS  11           HA       LYS  11  -2.968  15.111   1.488
   62   1HB   LYS  11          2HB       LYS  11  -0.765  15.433   3.411
   63   2HB   LYS  11          1HB       LYS  11  -0.267  15.439   1.728
   64   1HG   LYS  11          2HG       LYS  11  -2.542  17.158   2.598
   65   2HG   LYS  11          1HG       LYS  11  -0.881  17.662   2.908
   66   1HD   LYS  11          2HD       LYS  11  -1.777  16.788   0.180
   67   2HD   LYS  11          1HD       LYS  11  -1.987  18.451   0.734
   68   1HE   LYS  11          2HE       LYS  11   0.267  18.871   0.757
   69   2HE   LYS  11          1HE       LYS  11   0.688  17.181   1.026
   70   1HZ   LYS  11          1HZ       LYS  11  -0.168  16.818  -1.323
   71   2HZ   LYS  11          2HZ       LYS  11   1.314  17.617  -1.162
   72   3HZ   LYS  11          3HZ       LYS  11  -0.088  18.498  -1.503
   73    H    THR  12           H        THR  12  -1.422  12.273   2.803
   74    HA   THR  12           HA       THR  12  -0.156  11.623   0.269
   75    HB   THR  12           HB       THR  12  -0.330   9.636   2.487
   76    HG1  THR  12          1HG       THR  12   1.122  10.712   3.721
   77   1HG2  THR  12          1HG2      THR  12   1.174   9.845   0.182
   78   2HG2  THR  12          2HG2      THR  12   1.464   8.750   1.535
   79   3HG2  THR  12          3HG2      THR  12   2.289  10.308   1.466
   80    H    LYS  13           H        LYS  13  -1.975  11.471  -1.070
   81    HA   LYS  13           HA       LYS  13  -3.800  10.544  -2.054
   82   1HB   LYS  13          2HB       LYS  13  -3.627   8.231  -2.550
   83   2HB   LYS  13          1HB       LYS  13  -1.984   8.835  -2.425
   84   1HG   LYS  13          2HG       LYS  13  -3.083   7.746   0.070
   85   2HG   LYS  13          1HG       LYS  13  -2.901   6.582  -1.240
   86   1HD   LYS  13          2HD       LYS  13  -0.668   8.449  -0.531
   87   2HD   LYS  13          1HD       LYS  13  -0.920   6.958   0.377
   88   1HE   LYS  13          2HE       LYS  13   0.279   5.925  -1.190
   89   2HE   LYS  13          1HE       LYS  13  -1.079   6.183  -2.285
   90   1HZ   LYS  13          1HZ       LYS  13   1.373   7.808  -1.990
   91   2HZ   LYS  13          2HZ       LYS  13  -0.012   8.427  -2.736
   92   3HZ   LYS  13          3HZ       LYS  13   0.759   7.068  -3.383
   93    H    CYS  14           H        CYS  14  -5.482   8.497  -1.609
   94    HA   CYS  14           HA       CYS  14  -6.357   8.784   1.173
   95   1HB   CYS  14          2HB       CYS  14  -7.569  10.096  -0.955
   96   2HB   CYS  14          1HB       CYS  14  -8.599   8.698  -0.666
   97    H    SER  15           H        SER  15  -8.816   7.365   0.768
   98    HA   SER  15           HA       SER  15  -7.800   4.703   0.943
   99   1HB   SER  15          2HB       SER  15 -10.078   6.024   1.850
  100   2HB   SER  15          1HB       SER  15 -10.693   4.848   0.697
  101    HG   SER  15           HG       SER  15  -9.333   3.300   1.886
  102    H    VAL  16           H        VAL  16  -8.390   2.931  -0.338
  103    HA   VAL  16           HA       VAL  16  -9.774   3.230  -2.810
  104    HB   VAL  16           HB       VAL  16  -7.674   4.312  -3.454
  105   1HG1  VAL  16          1HG1      VAL  16  -6.059   1.873  -3.317
  106   2HG1  VAL  16          2HG1      VAL  16  -6.462   2.581  -1.751
  107   3HG1  VAL  16          3HG1      VAL  16  -5.626   3.544  -2.968
  108   1HG2  VAL  16          1HG2      VAL  16  -8.718   3.220  -5.246
  109   2HG2  VAL  16          2HG2      VAL  16  -8.276   1.622  -4.645
  110   3HG2  VAL  16          3HG2      VAL  16  -7.041   2.684  -5.320
  111    H    ASN  17           H        ASN  17 -10.563   1.304  -3.397
  112    HA   ASN  17           HA       ASN  17 -10.193  -0.980  -1.800
  113   1HB   ASN  17          2HB       ASN  17 -12.191  -0.422  -3.290
  114   2HB   ASN  17          1HB       ASN  17 -11.230  -1.027  -4.640
  115   1HD2  ASN  17          1HD2      ASN  17 -12.319  -1.951  -1.398
  116   2HD2  ASN  17          2HD2      ASN  17 -12.559  -3.622  -1.765
  117    H    TRP  18           H        TRP  18  -8.973  -2.835  -2.063
  118    HA   TRP  18           HA       TRP  18  -7.158  -4.104  -2.681
  119   1HB   TRP  18          2HB       TRP  18  -8.724  -3.951  -4.885
  120   2HB   TRP  18          1HB       TRP  18  -7.275  -3.174  -5.513
  121    HD1  TRP  18           HD       TRP  18  -5.271  -4.710  -6.140
  122    HE1  TRP  18          1HE       TRP  18  -4.851  -7.247  -6.049
  123    HE3  TRP  18          3HE       TRP  18  -9.381  -6.119  -3.448
  124    HZ2  TRP  18          2HZ       TRP  18  -6.099  -9.541  -4.983
  125    HZ3  TRP  18          3HZ       TRP  18  -9.693  -8.505  -2.937
  126    HH2  TRP  18           HH       TRP  18  -8.085 -10.178  -3.690
  127    H    GLY  19           H        GLY  19  -6.752  -1.408  -1.794
  128   1HA   GLY  19          2HA       GLY  19  -4.391  -0.545  -3.345
  129   2HA   GLY  19          1HA       GLY  19  -5.299   0.450  -2.215
  130    H    GLN  20           H        GLN  20  -5.486  -1.266  -0.055
  131    HA   GLN  20           HA       GLN  20  -2.989  -0.842   1.189
  132   1HB   GLN  20          2HB       GLN  20  -5.477  -1.235   2.122
  133   2HB   GLN  20          1HB       GLN  20  -4.850  -2.863   2.332
  134   1HG   GLN  20          2HG       GLN  20  -4.303  -1.999   4.351
  135   2HG   GLN  20          1HG       GLN  20  -2.848  -1.553   3.460
  136   1HE2  GLN  20          1HE2      GLN  20  -5.957  -0.376   4.610
  137   2HE2  GLN  20          2HE2      GLN  20  -5.515   1.294   4.664
  138    H    ALA  21           H        ALA  21  -4.525  -3.702  -0.185
  139    HA   ALA  21           HA       ALA  21  -2.468  -5.532   0.556
  140   1HB   ALA  21          1HB       ALA  21  -3.725  -7.119  -0.509
  141   2HB   ALA  21          2HB       ALA  21  -4.195  -6.023  -1.808
  142   3HB   ALA  21          3HB       ALA  21  -4.962  -5.894  -0.228
  143    H    PHE  22           H        PHE  22  -3.359  -4.332  -2.688
  144    HA   PHE  22           HA       PHE  22  -1.104  -5.254  -4.001
  145   1HB   PHE  22          2HB       PHE  22  -3.121  -4.244  -5.121
  146   2HB   PHE  22          1HB       PHE  22  -2.492  -2.656  -4.681
  147    HD1  PHE  22          1HD       PHE  22  -0.919  -5.740  -6.076
  148    HD2  PHE  22          2HD       PHE  22  -1.663  -1.579  -6.477
  149    HE1  PHE  22          1HE       PHE  22   0.539  -5.670  -8.039
  150    HE2  PHE  22          2HE       PHE  22  -0.220  -1.503  -8.444
  151    HZ   PHE  22           HZ       PHE  22   0.887  -3.550  -9.246
  152    H    GLN  23           H        GLN  23  -1.463  -2.298  -2.091
  153    HA   GLN  23           HA       GLN  23   0.971  -1.165  -3.118
  154   1HB   GLN  23          2HB       GLN  23  -0.949   0.195  -2.163
  155   2HB   GLN  23          1HB       GLN  23  -0.435  -0.349  -0.572
  156   1HG   GLN  23          2HG       GLN  23   1.867   0.588  -1.215
  157   2HG   GLN  23          1HG       GLN  23   1.007   1.435  -2.498
  158   1HE2  GLN  23          1HE2      GLN  23   1.560   1.181   0.908
  159   2HE2  GLN  23          2HE2      GLN  23   0.768   2.649   1.359
  160    H    GLU  24           H        GLU  24   0.024  -3.067  -0.350
  161    HA   GLU  24           HA       GLU  24   2.507  -2.823   1.045
  162   1HB   GLU  24          2HB       GLU  24   0.376  -3.390   2.175
  163   2HB   GLU  24          1HB       GLU  24   0.326  -4.910   1.292
  164   1HG   GLU  24          2HG       GLU  24   1.103  -5.272   3.542
  165   2HG   GLU  24          1HG       GLU  24   2.396  -5.605   2.392
  166    H    ARG  25           H        ARG  25   1.176  -4.858  -1.407
  167    HA   ARG  25           HA       ARG  25   3.180  -6.904  -1.268
  168   1HB   ARG  25          2HB       ARG  25   0.635  -6.703  -2.268
  169   2HB   ARG  25          1HB       ARG  25   1.598  -6.619  -3.735
  170   1HG   ARG  25          2HG       ARG  25   2.026  -8.769  -1.691
  171   2HG   ARG  25          1HG       ARG  25   0.805  -8.910  -2.958
  172   1HD   ARG  25          2HD       ARG  25   2.620  -9.951  -3.935
  173   2HD   ARG  25          1HD       ARG  25   2.774  -8.306  -4.548
  174    HE   ARG  25           HE       ARG  25   4.255  -8.374  -2.232
  175   1HH1  ARG  25          1HH1      ARG  25   4.269 -10.084  -5.274
  176   2HH1  ARG  25          2HH1      ARG  25   5.977 -10.366  -5.250
  177   1HH2  ARG  25          1HH2      ARG  25   6.502  -8.744  -2.199
  178   2HH2  ARG  25          2HH2      ARG  25   7.245  -9.606  -3.505
  179    H    TYR  26           H        TYR  26   2.298  -4.474  -3.709
  180    HA   TYR  26           HA       TYR  26   4.583  -4.898  -5.322
  181   1HB   TYR  26          2HB       TYR  26   3.477  -3.626  -6.789
  182   2HB   TYR  26          1HB       TYR  26   2.162  -3.802  -5.647
  183    HD1  TYR  26          1HD       TYR  26   4.845  -1.457  -6.717
  184    HD2  TYR  26          2HD       TYR  26   1.214  -1.962  -4.642
  185    HE1  TYR  26          1HE       TYR  26   4.542   0.972  -6.633
  186    HE2  TYR  26          2HE       TYR  26   0.859   0.446  -4.560
  187    HH   TYR  26           HH       TYR  26   2.833   2.566  -4.701
  188    H    THR  27           H        THR  27   3.754  -2.034  -3.318
  189    HA   THR  27           HA       THR  27   6.139  -0.665  -3.706
  190    HB   THR  27           HB       THR  27   4.834  -0.588  -1.025
  191    HG1  THR  27          1HG       THR  27   3.035  -0.670  -2.180
  192   1HG2  THR  27          1HG2      THR  27   5.087   1.782  -1.207
  193   2HG2  THR  27          2HG2      THR  27   5.623   1.640  -2.882
  194   3HG2  THR  27          3HG2      THR  27   6.626   1.005  -1.577
  195    H    ALA  28           H        ALA  28   5.338  -3.127  -1.326
  196    HA   ALA  28           HA       ALA  28   7.632  -2.978   0.237
  197   1HB   ALA  28          1HB       ALA  28   5.877  -5.328  -0.431
  198   2HB   ALA  28          2HB       ALA  28   5.778  -4.276   0.981
  199   3HB   ALA  28          3HB       ALA  28   7.149  -5.371   0.790
  200    H    GLY  29           H        GLY  29   7.026  -4.898  -2.688
  201   1HA   GLY  29          2HA       GLY  29   9.644  -6.076  -2.672
  202   2HA   GLY  29          1HA       GLY  29   8.457  -6.185  -3.960
  203    H    ILE  30           H        ILE  30   8.123  -3.466  -4.555
  204    HA   ILE  30           HA       ILE  30  10.383  -3.061  -6.235
  205    HB   ILE  30           HB       ILE  30   8.069  -2.375  -6.835
  206   1HG1  ILE  30          2HG1      ILE  30   8.735  -0.177  -7.841
  207   2HG1  ILE  30          1HG1      ILE  30  10.203  -0.231  -6.870
  208   1HG2  ILE  30          1HG2      ILE  30   7.872  -1.285  -4.417
  209   2HG2  ILE  30          2HG2      ILE  30   6.897  -0.750  -5.785
  210   3HG2  ILE  30          3HG2      ILE  30   8.340   0.152  -5.324
  211   1HD1  ILE  30          1HD1      ILE  30  10.846  -2.313  -8.006
  212   2HD1  ILE  30          2HD1      ILE  30  10.663  -0.957  -9.118
  213   3HD1  ILE  30          3HD1      ILE  30   9.402  -2.186  -9.012
  214    H    ASN  31           H        ASN  31   9.416  -1.739  -3.123
  215    HA   ASN  31           HA       ASN  31  11.265   0.438  -3.179
  216   1HB   ASN  31          2HB       ASN  31   9.179   0.163  -1.678
  217   2HB   ASN  31          1HB       ASN  31  10.226  -0.809  -0.640
  218   1HD2  ASN  31          1HD2      ASN  31  10.201   0.613   1.055
  219   2HD2  ASN  31          2HD2      ASN  31  10.978   2.156   1.005
  220    H    SER  32           H        SER  32  11.321  -2.811  -1.742
  221    HA   SER  32           HA       SER  32  13.823  -2.549  -0.487
  222   1HB   SER  32          2HB       SER  32  13.829  -5.043  -0.451
  223   2HB   SER  32          1HB       SER  32  12.313  -4.348   0.123
  224    HG   SER  32           HG       SER  32  11.932  -6.054  -1.328
  225    H    PHE  33           H        PHE  33  12.929  -3.480  -3.756
  226    HA   PHE  33           HA       PHE  33  15.384  -4.514  -4.619
  227   1HB   PHE  33          2HB       PHE  33  13.990  -4.871  -6.354
  228   2HB   PHE  33          1HB       PHE  33  12.903  -3.593  -5.836
  229    HD1  PHE  33          1HD       PHE  33  12.810  -1.556  -6.987
  230    HD2  PHE  33          2HD       PHE  33  16.014  -4.239  -7.747
  231    HE1  PHE  33          1HE       PHE  33  13.508  -0.167  -8.881
  232    HE2  PHE  33          2HE       PHE  33  16.720  -2.857  -9.653
  233    HZ   PHE  33           HZ       PHE  33  15.464  -0.819 -10.225
  234    H    VAL  34           H        VAL  34  14.238  -1.204  -4.324
  235    HA   VAL  34           HA       VAL  34  16.392   0.012  -5.736
  236    HB   VAL  34           HB       VAL  34  14.813   1.425  -3.620
  237   1HG1  VAL  34          1HG1      VAL  34  14.957   3.203  -5.475
  238   2HG1  VAL  34          2HG1      VAL  34  16.206   2.163  -6.161
  239   3HG1  VAL  34          3HG1      VAL  34  16.407   2.834  -4.543
  240   1HG2  VAL  34          1HG2      VAL  34  13.274   1.898  -5.734
  241   2HG2  VAL  34          2HG2      VAL  34  12.980   0.540  -4.650
  242   3HG2  VAL  34          3HG2      VAL  34  13.820   0.281  -6.176
  243    H    SER  35           H        SER  35  15.641   0.116  -2.268
  244    HA   SER  35           HA       SER  35  18.019   1.209  -1.402
  245   1HB   SER  35          2HB       SER  35  16.615  -0.958   0.144
  246   2HB   SER  35          1HB       SER  35  17.485   0.444   0.766
  247    HG   SER  35           HG       SER  35  14.895   0.239  -0.191
  248    H    GLY  36           H        GLY  36  17.297  -2.163  -2.149
  249   1HA   GLY  36          2HA       GLY  36  19.654  -3.322  -1.149
  250   2HA   GLY  36          1HA       GLY  36  18.673  -3.977  -2.455
  251    H    VAL  37           H        VAL  37  18.901  -1.979  -4.342
  252    HA   VAL  37           HA       VAL  37  21.553  -2.499  -5.364
  253    HB   VAL  37           HB       VAL  37  20.813  -1.302  -7.365
  254   1HG1  VAL  37          1HG1      VAL  37  18.866  -2.760  -7.943
  255   2HG1  VAL  37          2HG1      VAL  37  18.846  -3.299  -6.263
  256   3HG1  VAL  37          3HG1      VAL  37  20.254  -3.618  -7.274
  257   1HG2  VAL  37          1HG2      VAL  37  18.160  -0.856  -6.016
  258   2HG2  VAL  37          2HG2      VAL  37  18.709  -0.240  -7.573
  259   3HG2  VAL  37          3HG2      VAL  37  19.420   0.377  -6.082
  260    H    ALA  38           H        ALA  38  19.872   0.106  -3.788
  261    HA   ALA  38           HA       ALA  38  21.749   2.149  -4.560
  262   1HB   ALA  38          1HB       ALA  38  19.606   2.963  -4.205
  263   2HB   ALA  38          2HB       ALA  38  20.461   3.430  -2.734
  264   3HB   ALA  38          3HB       ALA  38  19.390   2.030  -2.724
  265    H    SER  39           H        SER  39  21.561  -0.213  -2.057
  266    HA   SER  39           HA       SER  39  22.985   1.075  -0.015
  267   1HB   SER  39          2HB       SER  39  21.747  -1.104   0.192
  268   2HB   SER  39          1HB       SER  39  23.087  -1.879  -0.655
  269    HG   SER  39           HG       SER  39  24.378  -1.551   1.047
  270    H    GLY  40           H        GLY  40  24.052  -0.524  -2.937
  271   1HA   GLY  40          2HA       GLY  40  26.301   0.609  -3.579
  272   2HA   GLY  40          1HA       GLY  40  26.864  -0.200  -2.122
  273    H    ALA  41           H        ALA  41  24.750  -1.213  -4.808
  274    HA   ALA  41           HA       ALA  41  25.841  -3.839  -4.851
  275   1HB   ALA  41          1HB       ALA  41  23.905  -2.320  -6.528
  276   2HB   ALA  41          2HB       ALA  41  23.700  -3.841  -5.660
  277   3HB   ALA  41          3HB       ALA  41  24.599  -3.804  -7.177
  278    H    GLY  42           H        GLY  42  26.426  -0.905  -6.711
  279   1HA   GLY  42          2HA       GLY  42  28.442  -2.311  -8.332
  280   2HA   GLY  42          1HA       GLY  42  27.745  -0.740  -8.692
  281    H    SER  43           H        SER  43  28.154  -0.004  -5.761
  282    HA   SER  43           HA       SER  43  30.572   1.376  -6.087
  283   1HB   SER  43          2HB       SER  43  28.923   2.217  -4.546
  284   2HB   SER  43          1HB       SER  43  28.992   0.735  -3.590
  285    HG   SER  43           HG       SER  43  30.582   1.591  -2.535
  286    H    ILE  44           H        ILE  44  29.854  -1.435  -4.013
  287    HA   ILE  44           HA       ILE  44  32.709  -2.158  -4.176
  288    HB   ILE  44           HB       ILE  44  32.211  -1.260  -1.949
  289   1HG1  ILE  44          2HG1      ILE  44  32.499  -4.126  -1.320
  290   2HG1  ILE  44          1HG1      ILE  44  33.604  -3.521  -2.551
  291   1HG2  ILE  44          1HG2      ILE  44  30.668  -2.296  -0.453
  292   2HG2  ILE  44          2HG2      ILE  44  30.318  -3.576  -1.614
  293   3HG2  ILE  44          3HG2      ILE  44  29.808  -1.921  -1.945
  294   1HD1  ILE  44          1HD1      ILE  44  33.441  -1.756  -0.259
  295   2HD1  ILE  44          2HD1      ILE  44  34.849  -2.474  -1.043
  296   3HD1  ILE  44          3HD1      ILE  44  33.955  -3.386   0.174
  297    H    GLY  45           H        GLY  45  29.447  -3.408  -3.471
  298   1HA   GLY  45          2HA       GLY  45  28.509  -5.466  -3.869
  299   2HA   GLY  45          1HA       GLY  45  29.521  -5.483  -5.303
  300    H    ARG  46           H        ARG  46  31.025  -5.321  -2.180
  301    HA   ARG  46           HA       ARG  46  32.250  -7.905  -2.656
  302   1HB   ARG  46          2HB       ARG  46  33.553  -5.913  -1.853
  303   2HB   ARG  46          1HB       ARG  46  32.690  -6.037  -0.326
  304   1HG   ARG  46          2HG       ARG  46  34.240  -8.348  -1.437
  305   2HG   ARG  46          1HG       ARG  46  35.016  -7.084  -0.482
  306   1HD   ARG  46          2HD       ARG  46  34.375  -8.132   1.369
  307   2HD   ARG  46          1HD       ARG  46  32.694  -7.847   0.923
  308    HE   ARG  46           HE       ARG  46  33.712 -10.109  -0.441
  309   1HH1  ARG  46          1HH1      ARG  46  32.619  -9.069   2.707
  310   2HH1  ARG  46          2HH1      ARG  46  32.133 -10.657   3.201
  311   1HH2  ARG  46          1HH2      ARG  46  33.074 -12.199   0.209
  312   2HH2  ARG  46          2HH2      ARG  46  32.392 -12.432   1.784
  313    H    ARG  47           H        ARG  47  30.224  -6.385  -0.174
  314    HA   ARG  47           HA       ARG  47  30.038  -8.768   1.388
  315   1HB   ARG  47          2HB       ARG  47  28.450  -6.200   1.479
  316   2HB   ARG  47          1HB       ARG  47  28.267  -7.510   2.634
  317   1HG   ARG  47          2HG       ARG  47  30.974  -6.353   2.202
  318   2HG   ARG  47          1HG       ARG  47  29.794  -5.447   3.150
  319   1HD   ARG  47          2HD       ARG  47  30.669  -8.285   3.680
  320   2HD   ARG  47          1HD       ARG  47  31.223  -6.861   4.559
  321    HE   ARG  47           HE       ARG  47  28.709  -8.227   4.867
  322   1HH1  ARG  47          1HH1      ARG  47  30.411  -5.215   5.332
  323   2HH1  ARG  47          2HH1      ARG  47  29.357  -4.671   6.593
  324   1HH2  ARG  47          1HH2      ARG  47  27.324  -7.512   6.528
  325   2HH2  ARG  47          2HH2      ARG  47  27.606  -5.974   7.273
  326    HA   PRO  48           HA       PRO  48  25.704  -9.134  -0.588
  327   1HB   PRO  48          2HB       PRO  48  25.014  -7.590  -2.668
  328   2HB   PRO  48          1HB       PRO  48  24.876  -7.006  -1.004
  329   1HG   PRO  48          2HG       PRO  48  27.033  -6.486  -3.019
  330   2HG   PRO  48          1HG       PRO  48  26.225  -5.343  -1.931
  331   1HD   PRO  48          2HD       PRO  48  28.661  -6.428  -1.403
  332   2HD   PRO  48          1HD       PRO  48  27.533  -5.930  -0.140
  Start of MODEL   19
    1    H    VAL   1           H        VAL   1  -6.796  13.422   0.424
    2    HA   VAL   1           HA       VAL   1  -6.334  12.598  -1.873
    3    HB   VAL   1           HB       VAL   1  -8.453  13.732  -1.576
    4   1HG1  VAL   1          1HG1      VAL   1  -8.498  16.266  -2.005
    5   2HG1  VAL   1          2HG1      VAL   1  -7.826  15.743  -0.442
    6   3HG1  VAL   1          3HG1      VAL   1  -6.735  16.233  -1.761
    7   1HG2  VAL   1          1HG2      VAL   1  -6.809  14.499  -3.998
    8   2HG2  VAL   1          2HG2      VAL   1  -8.115  13.298  -3.865
    9   3HG2  VAL   1          3HG2      VAL   1  -8.499  15.036  -3.847
   10    H    ASN   2           H        ASN   2  -6.145  14.186  -4.103
   11    HA   ASN   2           HA       ASN   2  -3.915  15.932  -4.019
   12   1HB   ASN   2          2HB       ASN   2  -3.184  13.299  -3.996
   13   2HB   ASN   2          1HB       ASN   2  -3.222  13.643  -5.724
   14   1HD2  ASN   2          1HD2      ASN   2  -0.914  13.010  -4.241
   15   2HD2  ASN   2          2HD2      ASN   2   0.145  14.374  -4.292
   16    H    TYR   3           H        TYR   3  -5.816  13.707  -5.965
   17    HA   TYR   3           HA       TYR   3  -5.673  15.330  -8.348
   18   1HB   TYR   3          2HB       TYR   3  -7.317  13.617  -9.208
   19   2HB   TYR   3          1HB       TYR   3  -5.774  12.970  -8.664
   20    HD1  TYR   3          1HD       TYR   3  -5.815  11.071  -7.340
   21    HD2  TYR   3          2HD       TYR   3  -9.207  13.641  -7.313
   22    HE1  TYR   3          1HE       TYR   3  -7.002   9.481  -5.898
   23    HE2  TYR   3          2HE       TYR   3 -10.397  12.053  -5.870
   24    HH   TYR   3           HH       TYR   3 -10.310   9.615  -5.343
   25    H    GLY   4           H        GLY   4  -7.058  16.248  -5.705
   26   1HA   GLY   4          2HA       GLY   4  -8.622  18.154  -6.069
   27   2HA   GLY   4          1HA       GLY   4  -9.621  17.020  -6.964
   28    H    ASN   5           H        ASN   5  -9.045  14.851  -5.003
   29    HA   ASN   5           HA       ASN   5  -9.839  14.020  -3.030
   30   1HB   ASN   5          2HB       ASN   5  -8.945  16.063  -1.911
   31   2HB   ASN   5          1HB       ASN   5 -10.472  16.876  -2.236
   32   1HD2  ASN   5          1HD2      ASN   5 -11.654  16.996  -0.478
   33   2HD2  ASN   5          2HD2      ASN   5 -11.830  15.765   0.721
   34    H    GLY   6           H        GLY   6 -11.362  13.461  -4.913
   35   1HA   GLY   6          2HA       GLY   6 -13.642  12.724  -4.943
   36   2HA   GLY   6          1HA       GLY   6 -14.082  14.167  -4.035
   37    H    VAL   7           H        VAL   7 -13.327  12.867  -7.173
   38    HA   VAL   7           HA       VAL   7 -14.665  15.131  -8.421
   39    HB   VAL   7           HB       VAL   7 -12.294  15.782  -8.394
   40   1HG1  VAL   7          1HG1      VAL   7 -10.591  14.544  -9.467
   41   2HG1  VAL   7          2HG1      VAL   7 -11.754  13.419 -10.171
   42   3HG1  VAL   7          3HG1      VAL   7 -11.456  13.405  -8.434
   43   1HG2  VAL   7          1HG2      VAL   7 -13.614  15.171 -11.012
   44   2HG2  VAL   7          2HG2      VAL   7 -12.033  15.952 -10.955
   45   3HG2  VAL   7          3HG2      VAL   7 -13.424  16.721 -10.192
   46    H    SER   8           H        SER   8 -13.027  12.011  -8.880
   47    HA   SER   8           HA       SER   8 -15.190  10.777 -10.099
   48   1HB   SER   8          2HB       SER   8 -14.478  12.518 -11.918
   49   2HB   SER   8          1HB       SER   8 -13.179  11.374 -12.250
   50    HG   SER   8           HG       SER   8 -15.643  11.271 -13.126
   51    H    CYS   9           H        CYS   9 -14.865   8.632  -9.993
   52    HA   CYS   9           HA       CYS   9 -12.097   7.720  -9.636
   53   1HB   CYS   9          2HB       CYS   9 -13.164   5.655  -8.664
   54   2HB   CYS   9          1HB       CYS   9 -13.461   7.133  -7.752
   55    H    SER  10           H        SER  10 -15.113   6.990 -11.316
   56    HA   SER  10           HA       SER  10 -15.577   5.924 -13.260
   57   1HB   SER  10          2HB       SER  10 -13.813   7.522 -14.078
   58   2HB   SER  10          1HB       SER  10 -12.643   6.212 -13.911
   59    HG   SER  10           HG       SER  10 -13.272   5.859 -15.907
   60    H    LYS  11           H        LYS  11 -14.021   4.463 -10.877
   61    HA   LYS  11           HA       LYS  11 -12.977   2.165 -12.221
   62   1HB   LYS  11          2HB       LYS  11 -13.415   2.828  -9.326
   63   2HB   LYS  11          1HB       LYS  11 -12.863   1.240  -9.847
   64   1HG   LYS  11          2HG       LYS  11 -10.945   2.289 -10.962
   65   2HG   LYS  11          1HG       LYS  11 -11.480   3.861 -10.361
   66   1HD   LYS  11          2HD       LYS  11 -11.401   2.804  -8.042
   67   2HD   LYS  11          1HD       LYS  11 -10.487   1.498  -8.800
   68   1HE   LYS  11          2HE       LYS  11  -8.750   2.812  -8.180
   69   2HE   LYS  11          1HE       LYS  11  -9.094   3.559  -9.739
   70   1HZ   LYS  11          1HZ       LYS  11 -10.227   4.520  -7.171
   71   2HZ   LYS  11          2HZ       LYS  11 -10.296   5.291  -8.675
   72   3HZ   LYS  11          3HZ       LYS  11  -8.817   5.145  -7.869
   73    H    THR  12           H        THR  12 -16.027   2.962 -12.257
   74    HA   THR  12           HA       THR  12 -17.997   1.843 -12.428
   75    HB   THR  12           HB       THR  12 -16.597  -0.787 -12.485
   76    HG1  THR  12          1HG       THR  12 -16.385   1.152 -14.542
   77   1HG2  THR  12          1HG2      THR  12 -18.648   0.457 -14.297
   78   2HG2  THR  12          2HG2      THR  12 -18.970  -0.709 -13.014
   79   3HG2  THR  12          3HG2      THR  12 -18.010  -1.185 -14.415
   80    H    LYS  13           H        LYS  13 -16.470   1.983  -9.756
   81    HA   LYS  13           HA       LYS  13 -18.457   0.613  -8.216
   82   1HB   LYS  13          2HB       LYS  13 -16.500  -1.052  -8.823
   83   2HB   LYS  13          1HB       LYS  13 -15.671  -0.213  -7.523
   84   1HG   LYS  13          2HG       LYS  13 -17.261  -0.904  -5.928
   85   2HG   LYS  13          1HG       LYS  13 -18.396  -1.421  -7.175
   86   1HD   LYS  13          2HD       LYS  13 -17.486  -3.455  -7.246
   87   2HD   LYS  13          1HD       LYS  13 -15.872  -2.782  -7.477
   88   1HE   LYS  13          2HE       LYS  13 -15.535  -3.821  -5.483
   89   2HE   LYS  13          1HE       LYS  13 -16.132  -2.274  -4.885
   90   1HZ   LYS  13          1HZ       LYS  13 -18.420  -3.547  -5.151
   91   2HZ   LYS  13          2HZ       LYS  13 -17.494  -3.647  -3.739
   92   3HZ   LYS  13          3HZ       LYS  13 -17.422  -4.887  -4.887
   93    H    CYS  14           H        CYS  14 -15.398   2.359  -8.302
   94    HA   CYS  14           HA       CYS  14 -14.643   4.143  -7.137
   95   1HB   CYS  14          2HB       CYS  14 -17.409   4.459  -7.133
   96   2HB   CYS  14          1HB       CYS  14 -16.940   4.665  -5.445
   97    H    SER  15           H        SER  15 -14.440   1.431  -6.177
   98    HA   SER  15           HA       SER  15 -13.313   1.911  -3.641
   99   1HB   SER  15          2HB       SER  15 -14.853   0.385  -2.336
  100   2HB   SER  15          1HB       SER  15 -15.540   1.953  -2.761
  101    HG   SER  15           HG       SER  15 -16.993   0.239  -3.187
  102    H    VAL  16           H        VAL  16 -11.887   0.321  -3.141
  103    HA   VAL  16           HA       VAL  16 -12.187  -2.370  -4.064
  104    HB   VAL  16           HB       VAL  16 -11.513  -1.352  -6.176
  105   1HG1  VAL  16          1HG1      VAL  16 -10.148   0.449  -4.762
  106   2HG1  VAL  16          2HG1      VAL  16  -9.815   0.109  -6.459
  107   3HG1  VAL  16          3HG1      VAL  16  -8.820  -0.626  -5.202
  108   1HG2  VAL  16          1HG2      VAL  16  -9.573  -2.743  -6.670
  109   2HG2  VAL  16          2HG2      VAL  16 -10.729  -3.616  -5.665
  110   3HG2  VAL  16          3HG2      VAL  16  -9.263  -2.946  -4.945
  111    H    ASN  17           H        ASN  17 -11.394  -3.490  -2.412
  112    HA   ASN  17           HA       ASN  17  -9.563  -2.368  -0.534
  113   1HB   ASN  17          2HB       ASN  17 -10.426  -5.256  -0.807
  114   2HB   ASN  17          1HB       ASN  17  -9.718  -4.499   0.619
  115   1HD2  ASN  17          1HD2      ASN  17 -11.092  -3.906   2.123
  116   2HD2  ASN  17          2HD2      ASN  17 -12.764  -3.536   1.893
  117    H    TRP  18           H        TRP  18  -9.299  -4.533  -3.273
  118    HA   TRP  18           HA       TRP  18  -6.832  -5.695  -2.852
  119   1HB   TRP  18          2HB       TRP  18  -8.610  -5.631  -4.933
  120   2HB   TRP  18          1HB       TRP  18  -7.244  -4.752  -5.613
  121    HD1  TRP  18           HD       TRP  18  -4.764  -6.175  -5.131
  122    HE1  TRP  18          1HE       TRP  18  -4.350  -8.676  -5.581
  123    HE3  TRP  18          3HE       TRP  18  -9.609  -7.804  -5.188
  124    HZ2  TRP  18          2HZ       TRP  18  -5.875 -11.025  -5.921
  125    HZ3  TRP  18          3HZ       TRP  18 -10.045 -10.192  -5.583
  126    HH2  TRP  18           HH       TRP  18  -8.216 -11.769  -5.943
  127    H    GLY  19           H        GLY  19  -7.572  -2.397  -3.790
  128   1HA   GLY  19          2HA       GLY  19  -5.071  -1.611  -4.774
  129   2HA   GLY  19          1HA       GLY  19  -6.242  -0.540  -4.019
  130    H    GLN  20           H        GLN  20  -6.307  -1.601  -1.449
  131    HA   GLN  20           HA       GLN  20  -4.056  -0.361  -0.289
  132   1HB   GLN  20          2HB       GLN  20  -6.516  -1.123   0.620
  133   2HB   GLN  20          1HB       GLN  20  -5.482  -2.324   1.387
  134   1HG   GLN  20          2HG       GLN  20  -4.353  -0.746   2.638
  135   2HG   GLN  20          1HG       GLN  20  -4.779   0.574   1.547
  136   1HE2  GLN  20          1HE2      GLN  20  -5.793  -1.389   4.209
  137   2HE2  GLN  20          2HE2      GLN  20  -7.201  -0.476   4.620
  138    H    ALA  21           H        ALA  21  -4.891  -3.755  -0.832
  139    HA   ALA  21           HA       ALA  21  -2.694  -4.887   0.525
  140   1HB   ALA  21          1HB       ALA  21  -3.222  -6.925  -0.658
  141   2HB   ALA  21          2HB       ALA  21  -4.191  -6.031  -1.829
  142   3HB   ALA  21          3HB       ALA  21  -4.717  -6.141  -0.149
  143    H    PHE  22           H        PHE  22  -3.179  -4.208  -2.939
  144    HA   PHE  22           HA       PHE  22  -0.704  -5.110  -3.833
  145   1HB   PHE  22          2HB       PHE  22  -2.597  -4.471  -5.332
  146   2HB   PHE  22          1HB       PHE  22  -2.236  -2.775  -5.004
  147    HD1  PHE  22          1HD       PHE  22  -0.998  -1.708  -6.571
  148    HD2  PHE  22          2HD       PHE  22  -0.374  -5.850  -5.916
  149    HE1  PHE  22          1HE       PHE  22   0.812  -1.691  -8.217
  150    HE2  PHE  22          2HE       PHE  22   1.426  -5.852  -7.562
  151    HZ   PHE  22           HZ       PHE  22   2.026  -3.769  -8.735
  152    H    GLN  23           H        GLN  23  -1.510  -2.118  -2.233
  153    HA   GLN  23           HA       GLN  23   0.804  -0.721  -3.089
  154   1HB   GLN  23          2HB       GLN  23  -1.412   0.208  -2.071
  155   2HB   GLN  23          1HB       GLN  23  -0.655  -0.109  -0.518
  156   1HG   GLN  23          2HG       GLN  23   0.968   1.510  -0.829
  157   2HG   GLN  23          1HG       GLN  23   0.772   1.515  -2.582
  158   1HE2  GLN  23          1HE2      GLN  23   0.397   3.656  -2.842
  159   2HE2  GLN  23          2HE2      GLN  23  -0.989   4.480  -2.220
  160    H    GLU  24           H        GLU  24   0.033  -2.517  -0.106
  161    HA   GLU  24           HA       GLU  24   2.617  -2.064   1.054
  162   1HB   GLU  24          2HB       GLU  24   0.270  -2.866   2.088
  163   2HB   GLU  24          1HB       GLU  24   1.017  -4.440   1.858
  164   1HG   GLU  24          2HG       GLU  24   2.309  -4.177   3.636
  165   2HG   GLU  24          1HG       GLU  24   2.856  -2.595   3.083
  166    H    ARG  25           H        ARG  25   1.086  -4.800  -0.599
  167    HA   ARG  25           HA       ARG  25   3.174  -6.634  -0.498
  168   1HB   ARG  25          2HB       ARG  25   0.665  -6.594  -1.577
  169   2HB   ARG  25          1HB       ARG  25   1.652  -6.546  -3.030
  170   1HG   ARG  25          2HG       ARG  25   2.893  -8.521  -1.665
  171   2HG   ARG  25          1HG       ARG  25   1.232  -8.727  -1.102
  172   1HD   ARG  25          2HD       ARG  25   0.433  -8.943  -3.355
  173   2HD   ARG  25          1HD       ARG  25   2.017  -8.528  -4.006
  174    HE   ARG  25           HE       ARG  25   1.160 -11.090  -3.025
  175   1HH1  ARG  25          1HH1      ARG  25   3.919  -9.043  -3.646
  176   2HH1  ARG  25          2HH1      ARG  25   5.029 -10.367  -3.770
  177   1HH2  ARG  25          1HH2      ARG  25   2.620 -12.831  -3.196
  178   2HH2  ARG  25          2HH2      ARG  25   4.293 -12.514  -3.516
  179    H    TYR  26           H        TYR  26   2.329  -4.497  -3.179
  180    HA   TYR  26           HA       TYR  26   4.542  -5.068  -4.777
  181   1HB   TYR  26          2HB       TYR  26   3.433  -3.850  -6.240
  182   2HB   TYR  26          1HB       TYR  26   2.182  -3.844  -5.028
  183    HD1  TYR  26          1HD       TYR  26   3.430  -1.908  -7.419
  184    HD2  TYR  26          2HD       TYR  26   2.840  -1.778  -3.230
  185    HE1  TYR  26          1HE       TYR  26   3.251   0.532  -7.529
  186    HE2  TYR  26          2HE       TYR  26   2.679   0.657  -3.305
  187    HH   TYR  26           HH       TYR  26   2.004   2.375  -5.794
  188    H    THR  27           H        THR  27   4.175  -2.663  -2.256
  189    HA   THR  27           HA       THR  27   6.519  -1.198  -2.926
  190    HB   THR  27           HB       THR  27   6.453  -0.672  -0.353
  191    HG1  THR  27          1HG       THR  27   3.787  -1.505  -0.751
  192   1HG2  THR  27          1HG2      THR  27   5.902   0.950  -2.051
  193   2HG2  THR  27          2HG2      THR  27   4.769   1.041  -0.702
  194   3HG2  THR  27          3HG2      THR  27   4.286   0.259  -2.207
  195    H    ALA  28           H        ALA  28   5.848  -3.884  -0.726
  196    HA   ALA  28           HA       ALA  28   8.326  -4.185   0.450
  197   1HB   ALA  28          1HB       ALA  28   7.800  -6.602   0.619
  198   2HB   ALA  28          2HB       ALA  28   6.445  -6.351  -0.480
  199   3HB   ALA  28          3HB       ALA  28   6.455  -5.568   1.099
  200    H    GLY  29           H        GLY  29   7.248  -5.441  -2.690
  201   1HA   GLY  29          2HA       GLY  29   9.738  -6.685  -3.320
  202   2HA   GLY  29          1HA       GLY  29   8.421  -6.368  -4.438
  203    H    ILE  30           H        ILE  30   8.198  -3.712  -4.592
  204    HA   ILE  30           HA       ILE  30  10.441  -2.980  -6.154
  205    HB   ILE  30           HB       ILE  30   8.120  -2.149  -6.544
  206   1HG1  ILE  30          2HG1      ILE  30   8.885   0.267  -6.998
  207   2HG1  ILE  30          1HG1      ILE  30  10.429  -0.230  -6.312
  208   1HG2  ILE  30          1HG2      ILE  30   7.756  -1.617  -4.094
  209   2HG2  ILE  30          2HG2      ILE  30   7.147  -0.450  -5.267
  210   3HG2  ILE  30          3HG2      ILE  30   8.648  -0.128  -4.396
  211   1HD1  ILE  30          1HD1      ILE  30  10.193  -2.173  -8.072
  212   2HD1  ILE  30          2HD1      ILE  30  10.832  -0.590  -8.518
  213   3HD1  ILE  30          3HD1      ILE  30   9.154  -0.997  -8.875
  214    H    ASN  31           H        ASN  31   9.306  -1.763  -2.971
  215    HA   ASN  31           HA       ASN  31  11.267   0.145  -2.558
  216   1HB   ASN  31          2HB       ASN  31   9.226  -0.573  -1.090
  217   2HB   ASN  31          1HB       ASN  31  10.398  -1.613  -0.288
  218   1HD2  ASN  31          1HD2      ASN  31   8.858   1.001   0.319
  219   2HD2  ASN  31          2HD2      ASN  31  10.068   1.999   1.042
  220    H    SER  32           H        SER  32  11.421  -3.354  -2.024
  221    HA   SER  32           HA       SER  32  13.919  -3.419  -0.744
  222   1HB   SER  32          2HB       SER  32  12.554  -5.478  -2.491
  223   2HB   SER  32          1HB       SER  32  14.018  -5.797  -1.561
  224    HG   SER  32           HG       SER  32  12.423  -6.402  -0.222
  225    H    PHE  33           H        PHE  33  13.053  -3.570  -4.172
  226    HA   PHE  33           HA       PHE  33  15.576  -4.049  -5.257
  227   1HB   PHE  33          2HB       PHE  33  14.219  -4.074  -7.059
  228   2HB   PHE  33          1HB       PHE  33  12.976  -3.164  -6.210
  229    HD1  PHE  33          1HD       PHE  33  15.444  -3.082  -8.786
  230    HD2  PHE  33          2HD       PHE  33  13.222  -0.624  -6.120
  231    HE1  PHE  33          1HE       PHE  33  15.936  -1.124 -10.188
  232    HE2  PHE  33          2HE       PHE  33  13.704   1.339  -7.517
  233    HZ   PHE  33           HZ       PHE  33  15.064   1.091  -9.558
  234    H    VAL  34           H        VAL  34  14.120  -1.093  -4.076
  235    HA   VAL  34           HA       VAL  34  16.008   0.708  -5.188
  236    HB   VAL  34           HB       VAL  34  14.471   1.254  -2.670
  237   1HG1  VAL  34          1HG1      VAL  34  14.352   3.520  -3.810
  238   2HG1  VAL  34          2HG1      VAL  34  15.555   2.892  -4.937
  239   3HG1  VAL  34          3HG1      VAL  34  15.931   3.005  -3.217
  240   1HG2  VAL  34          1HG2      VAL  34  13.447   1.161  -5.497
  241   2HG2  VAL  34          2HG2      VAL  34  12.645   2.067  -4.216
  242   3HG2  VAL  34          3HG2      VAL  34  12.816   0.317  -4.084
  243    H    SER  35           H        SER  35  15.574  -0.318  -1.826
  244    HA   SER  35           HA       SER  35  17.829   0.789  -0.723
  245   1HB   SER  35          2HB       SER  35  16.900  -1.983   0.003
  246   2HB   SER  35          1HB       SER  35  17.635  -0.771   1.051
  247    HG   SER  35           HG       SER  35  15.193  -1.124   1.013
  248    H    GLY  36           H        GLY  36  17.616  -2.552  -1.967
  249   1HA   GLY  36          2HA       GLY  36  20.320  -3.201  -1.701
  250   2HA   GLY  36          1HA       GLY  36  19.220  -3.940  -2.857
  251    H    VAL  37           H        VAL  37  18.622  -1.942  -4.560
  252    HA   VAL  37           HA       VAL  37  20.954  -1.776  -6.177
  253    HB   VAL  37           HB       VAL  37  18.274  -0.398  -6.430
  254   1HG1  VAL  37          1HG1      VAL  37  20.665  -0.405  -8.237
  255   2HG1  VAL  37          2HG1      VAL  37  19.666   0.953  -7.720
  256   3HG1  VAL  37          3HG1      VAL  37  19.034  -0.213  -8.883
  257   1HG2  VAL  37          1HG2      VAL  37  18.681  -3.011  -6.616
  258   2HG2  VAL  37          2HG2      VAL  37  19.176  -2.563  -8.248
  259   3HG2  VAL  37          3HG2      VAL  37  17.556  -2.163  -7.678
  260    H    ALA  38           H        ALA  38  19.766   0.165  -3.620
  261    HA   ALA  38           HA       ALA  38  20.954   2.634  -4.505
  262   1HB   ALA  38          1HB       ALA  38  19.014   2.778  -3.120
  263   2HB   ALA  38          2HB       ALA  38  20.381   3.408  -2.203
  264   3HB   ALA  38          3HB       ALA  38  19.768   1.788  -1.871
  265    H    SER  39           H        SER  39  21.947  -0.132  -2.667
  266    HA   SER  39           HA       SER  39  24.079   1.025  -1.232
  267   1HB   SER  39          2HB       SER  39  22.955  -1.339  -1.037
  268   2HB   SER  39          1HB       SER  39  24.196  -1.809  -2.197
  269    HG   SER  39           HG       SER  39  25.641  -1.699  -0.674
  270    H    GLY  40           H        GLY  40  23.779  -0.099  -4.521
  271   1HA   GLY  40          2HA       GLY  40  26.671   0.277  -4.950
  272   2HA   GLY  40          1HA       GLY  40  25.579  -0.582  -6.023
  273    H    ALA  41           H        ALA  41  23.514   1.355  -6.137
  274    HA   ALA  41           HA       ALA  41  24.813   3.748  -7.230
  275   1HB   ALA  41          1HB       ALA  41  22.983   3.342  -9.168
  276   2HB   ALA  41          2HB       ALA  41  23.416   1.674  -8.793
  277   3HB   ALA  41          3HB       ALA  41  24.664   2.820  -9.282
  278    H    GLY  42           H        GLY  42  21.510   2.475  -7.562
  279   1HA   GLY  42          2HA       GLY  42  19.545   3.175  -6.554
  280   2HA   GLY  42          1HA       GLY  42  20.479   4.263  -5.542
  281    H    SER  43           H        SER  43  20.758   4.270  -9.025
  282    HA   SER  43           HA       SER  43  18.893   6.448  -9.364
  283   1HB   SER  43          2HB       SER  43  21.100   7.450  -8.494
  284   2HB   SER  43          1HB       SER  43  21.762   7.028 -10.074
  285    HG   SER  43           HG       SER  43  20.632   9.214  -9.598
  286    H    ILE  44           H        ILE  44  19.039   3.854 -10.445
  287    HA   ILE  44           HA       ILE  44  19.675   4.413 -13.281
  288    HB   ILE  44           HB       ILE  44  19.900   1.961 -13.571
  289   1HG1  ILE  44          2HG1      ILE  44  20.003   1.776 -10.564
  290   2HG1  ILE  44          1HG1      ILE  44  18.521   1.469 -11.463
  291   1HG2  ILE  44          1HG2      ILE  44  22.117   1.897 -12.911
  292   2HG2  ILE  44          2HG2      ILE  44  21.806   2.789 -11.423
  293   3HG2  ILE  44          3HG2      ILE  44  21.789   3.629 -12.973
  294   1HD1  ILE  44          1HD1      ILE  44  20.421  -0.387 -10.820
  295   2HD1  ILE  44          2HD1      ILE  44  20.809   0.000 -12.495
  296   3HD1  ILE  44          3HD1      ILE  44  19.192  -0.562 -12.073
  297    H    GLY  45           H        GLY  45  17.181   5.000 -11.839
  298   1HA   GLY  45          2HA       GLY  45  15.339   3.143 -13.230
  299   2HA   GLY  45          1HA       GLY  45  14.937   4.040 -11.774
  300    H    ARG  46           H        ARG  46  16.581   5.284 -14.644
  301    HA   ARG  46           HA       ARG  46  14.257   7.044 -15.103
  302   1HB   ARG  46          2HB       ARG  46  17.148   7.615 -14.915
  303   2HB   ARG  46          1HB       ARG  46  16.319   8.398 -16.254
  304   1HG   ARG  46          2HG       ARG  46  14.732   9.399 -14.700
  305   2HG   ARG  46          1HG       ARG  46  15.537   8.595 -13.352
  306   1HD   ARG  46          2HD       ARG  46  16.959  10.292 -13.194
  307   2HD   ARG  46          1HD       ARG  46  17.515   9.979 -14.837
  308    HE   ARG  46           HE       ARG  46  16.423  11.868 -15.470
  309   1HH1  ARG  46          1HH1      ARG  46  14.879  10.653 -12.584
  310   2HH1  ARG  46          2HH1      ARG  46  13.762  11.972 -12.477
  311   1HH2  ARG  46          1HH2      ARG  46  14.955  13.604 -15.328
  312   2HH2  ARG  46          2HH2      ARG  46  13.805  13.647 -14.034
  313    H    ARG  47           H        ARG  47  16.910   5.255 -16.596
  314    HA   ARG  47           HA       ARG  47  15.277   4.778 -18.938
  315   1HB   ARG  47          2HB       ARG  47  17.111   5.505 -20.487
  316   2HB   ARG  47          1HB       ARG  47  16.297   6.816 -19.645
  317   1HG   ARG  47          2HG       ARG  47  18.339   6.333 -17.944
  318   2HG   ARG  47          1HG       ARG  47  19.085   5.902 -19.484
  319   1HD   ARG  47          2HD       ARG  47  18.429   8.082 -20.399
  320   2HD   ARG  47          1HD       ARG  47  17.709   8.511 -18.847
  321    HE   ARG  47           HE       ARG  47  19.800   8.990 -18.059
  322   1HH1  ARG  47          1HH1      ARG  47  20.115   7.060 -20.950
  323   2HH1  ARG  47          2HH1      ARG  47  21.835   7.240 -21.032
  324   1HH2  ARG  47          1HH2      ARG  47  22.063   9.228 -18.167
  325   2HH2  ARG  47          2HH2      ARG  47  22.941   8.470 -19.453
  326    HA   PRO  48           HA       PRO  48  17.665   1.046 -17.982
  327   1HB   PRO  48          2HB       PRO  48  16.016  -0.683 -19.241
  328   2HB   PRO  48          1HB       PRO  48  15.653  -0.027 -17.639
  329   1HG   PRO  48          2HG       PRO  48  14.614   0.823 -20.315
  330   2HG   PRO  48          1HG       PRO  48  13.735   0.616 -18.789
  331   1HD   PRO  48          2HD       PRO  48  14.537   3.041 -19.720
  332   2HD   PRO  48          1HD       PRO  48  14.390   2.671 -17.990
  Start of MODEL   20
    1    H    VAL   1           H        VAL   1   9.383  12.136  -6.310
    2    HA   VAL   1           HA       VAL   1   7.055  11.275  -6.429
    3    HB   VAL   1           HB       VAL   1   7.528  14.221  -6.981
    4   1HG1  VAL   1          1HG1      VAL   1   4.935  13.227  -5.849
    5   2HG1  VAL   1          2HG1      VAL   1   5.270  14.680  -6.820
    6   3HG1  VAL   1          3HG1      VAL   1   5.171  13.086  -7.607
    7   1HG2  VAL   1          1HG2      VAL   1   6.493  13.969  -4.469
    8   2HG2  VAL   1          2HG2      VAL   1   7.336  12.409  -4.624
    9   3HG2  VAL   1          3HG2      VAL   1   8.237  13.932  -4.823
   10    H    ASN   2           H        ASN   2   4.958  12.132  -7.768
   11    HA   ASN   2           HA       ASN   2   5.332  12.310 -10.578
   12   1HB   ASN   2          2HB       ASN   2   5.768   9.923 -10.308
   13   2HB   ASN   2          1HB       ASN   2   4.227   9.720  -9.480
   14   1HD2  ASN   2          1HD2      ASN   2   3.544   8.234 -11.035
   15   2HD2  ASN   2          2HD2      ASN   2   3.045   8.732 -12.611
   16    H    TYR   3           H        TYR   3   3.552  12.722  -7.808
   17    HA   TYR   3           HA       TYR   3   1.341  13.913  -9.220
   18   1HB   TYR   3          2HB       TYR   3  -0.325  12.529  -7.808
   19   2HB   TYR   3          1HB       TYR   3   0.394  11.733  -9.204
   20    HD1  TYR   3          1HD       TYR   3   1.187  12.227  -5.577
   21    HD2  TYR   3          2HD       TYR   3   1.077   9.553  -8.880
   22    HE1  TYR   3          1HE       TYR   3   1.966  10.408  -4.122
   23    HE2  TYR   3          2HE       TYR   3   1.855   7.728  -7.434
   24    HH   TYR   3           HH       TYR   3   3.311   7.735  -5.089
   25    H    GLY   4           H        GLY   4  -0.363  14.593  -7.324
   26   1HA   GLY   4          2HA       GLY   4   0.869  15.106  -4.775
   27   2HA   GLY   4          1HA       GLY   4   0.853  16.526  -5.812
   28    H    ASN   5           H        ASN   5  -1.540  16.591  -6.978
   29    HA   ASN   5           HA       ASN   5  -3.687  15.941  -5.182
   30   1HB   ASN   5          2HB       ASN   5  -2.781  18.816  -5.456
   31   2HB   ASN   5          1HB       ASN   5  -4.366  18.349  -4.847
   32   1HD2  ASN   5          1HD2      ASN   5  -4.436  17.048  -2.913
   33   2HD2  ASN   5          2HD2      ASN   5  -3.184  17.206  -1.732
   34    H    GLY   6           H        GLY   6  -3.758  14.999  -7.503
   35   1HA   GLY   6          2HA       GLY   6  -5.786  16.521  -8.933
   36   2HA   GLY   6          1HA       GLY   6  -4.311  16.192  -9.834
   37    H    VAL   7           H        VAL   7  -3.802  13.608  -8.715
   38    HA   VAL   7           HA       VAL   7  -5.720  12.070 -10.271
   39    HB   VAL   7           HB       VAL   7  -3.317  11.638 -10.554
   40   1HG1  VAL   7          1HG1      VAL   7  -3.056  11.994  -7.908
   41   2HG1  VAL   7          2HG1      VAL   7  -1.875  11.132  -8.895
   42   3HG1  VAL   7          3HG1      VAL   7  -3.078  10.232  -7.972
   43   1HG2  VAL   7          1HG2      VAL   7  -5.175   9.858 -10.735
   44   2HG2  VAL   7          2HG2      VAL   7  -4.466   9.197  -9.262
   45   3HG2  VAL   7          3HG2      VAL   7  -3.490   9.333 -10.724
   46    H    SER   8           H        SER   8  -7.116  10.554  -9.442
   47    HA   SER   8           HA       SER   8  -7.768  10.807  -6.644
   48   1HB   SER   8          2HB       SER   8  -9.455  10.636  -8.537
   49   2HB   SER   8          1HB       SER   8  -9.036   8.925  -8.636
   50    HG   SER   8           HG       SER   8 -10.853   9.848  -7.142
   51    H    CYS   9           H        CYS   9  -5.559   9.884  -6.091
   52    HA   CYS   9           HA       CYS   9  -5.900   7.260  -5.094
   53   1HB   CYS   9          2HB       CYS   9  -5.007   7.321  -7.742
   54   2HB   CYS   9          1HB       CYS   9  -3.555   7.034  -6.791
   55    H    SER  10           H        SER  10  -5.174   7.931  -3.135
   56    HA   SER  10           HA       SER  10  -2.798   9.528  -2.898
   57   1HB   SER  10          2HB       SER  10  -3.167   9.247  -0.437
   58   2HB   SER  10          1HB       SER  10  -4.570   9.894  -1.285
   59    HG   SER  10           HG       SER  10  -5.557   8.302  -0.320
   60    H    LYS  11           H        LYS  11  -3.064   6.956  -0.591
   61    HA   LYS  11           HA       LYS  11  -1.327   5.149  -1.946
   62   1HB   LYS  11          2HB       LYS  11   0.582   5.360  -0.372
   63   2HB   LYS  11          1HB       LYS  11   0.369   6.757  -1.416
   64   1HG   LYS  11          2HG       LYS  11  -1.063   7.560   0.707
   65   2HG   LYS  11          1HG       LYS  11   0.110   6.513   1.507
   66   1HD   LYS  11          2HD       LYS  11   1.104   8.643   1.503
   67   2HD   LYS  11          1HD       LYS  11   1.891   7.772   0.185
   68   1HE   LYS  11          2HE       LYS  11   0.858   9.019  -1.439
   69   2HE   LYS  11          1HE       LYS  11  -0.538   9.383  -0.424
   70   1HZ   LYS  11          1HZ       LYS  11   2.072  10.711  -0.546
   71   2HZ   LYS  11          2HZ       LYS  11   1.253  10.693   0.935
   72   3HZ   LYS  11          3HZ       LYS  11   0.526  11.386  -0.426
   73    H    THR  12           H        THR  12  -3.843   4.932  -0.650
   74    HA   THR  12           HA       THR  12  -3.176   2.808   1.198
   75    HB   THR  12           HB       THR  12  -5.301   4.451   2.344
   76    HG1  THR  12          1HG       THR  12  -4.261   6.248   2.567
   77   1HG2  THR  12          1HG2      THR  12  -4.555   2.857   3.804
   78   2HG2  THR  12          2HG2      THR  12  -3.623   4.263   4.322
   79   3HG2  THR  12          3HG2      THR  12  -2.873   3.032   3.305
   80    H    LYS  13           H        LYS  13  -6.227   4.577   0.717
   81    HA   LYS  13           HA       LYS  13  -7.590   2.099   0.193
   82   1HB   LYS  13          2HB       LYS  13  -8.695   4.904   0.055
   83   2HB   LYS  13          1HB       LYS  13  -9.618   3.412   0.180
   84   1HG   LYS  13          2HG       LYS  13  -8.334   3.065   2.390
   85   2HG   LYS  13          1HG       LYS  13  -7.971   4.788   2.262
   86   1HD   LYS  13          2HD       LYS  13 -10.789   4.069   1.823
   87   2HD   LYS  13          1HD       LYS  13 -10.185   3.771   3.455
   88   1HE   LYS  13          2HE       LYS  13  -9.946   6.387   1.973
   89   2HE   LYS  13          1HE       LYS  13 -11.180   6.020   3.177
   90   1HZ   LYS  13          1HZ       LYS  13  -9.210   5.522   4.699
   91   2HZ   LYS  13          2HZ       LYS  13  -9.546   7.143   4.357
   92   3HZ   LYS  13          3HZ       LYS  13  -8.272   6.360   3.567
   93    H    CYS  14           H        CYS  14  -7.280   5.142  -1.653
   94    HA   CYS  14           HA       CYS  14  -7.385   5.562  -3.883
   95   1HB   CYS  14          2HB       CYS  14  -6.010   2.958  -3.671
   96   2HB   CYS  14          1HB       CYS  14  -6.677   3.339  -5.253
   97    H    SER  15           H        SER  15  -8.406   4.772  -6.017
   98    HA   SER  15           HA       SER  15 -11.105   3.968  -5.398
   99   1HB   SER  15          2HB       SER  15 -10.587   5.787  -7.034
  100   2HB   SER  15          1HB       SER  15  -9.886   4.571  -8.103
  101    HG   SER  15           HG       SER  15 -11.821   3.979  -8.676
  102    H    VAL  16           H        VAL  16  -8.258   2.540  -6.751
  103    HA   VAL  16           HA       VAL  16  -9.557   0.302  -7.945
  104    HB   VAL  16           HB       VAL  16  -7.211  -0.645  -8.039
  105   1HG1  VAL  16          1HG1      VAL  16  -6.627   0.656  -9.913
  106   2HG1  VAL  16          2HG1      VAL  16  -7.404   2.097  -9.257
  107   3HG1  VAL  16          3HG1      VAL  16  -8.386   0.744  -9.819
  108   1HG2  VAL  16          1HG2      VAL  16  -5.461   0.369  -7.077
  109   2HG2  VAL  16          2HG2      VAL  16  -6.664   1.214  -6.103
  110   3HG2  VAL  16          3HG2      VAL  16  -6.010   1.975  -7.554
  111    H    ASN  17           H        ASN  17 -10.624  -0.994  -6.671
  112    HA   ASN  17           HA       ASN  17 -10.497  -1.467  -4.013
  113   1HB   ASN  17          2HB       ASN  17 -11.014  -3.593  -6.099
  114   2HB   ASN  17          1HB       ASN  17 -11.522  -3.661  -4.412
  115   1HD2  ASN  17          1HD2      ASN  17 -12.908  -1.815  -3.699
  116   2HD2  ASN  17          2HD2      ASN  17 -14.105  -1.248  -4.807
  117    H    TRP  18           H        TRP  18  -8.348  -2.821  -6.425
  118    HA   TRP  18           HA       TRP  18  -7.003  -4.545  -4.472
  119   1HB   TRP  18          2HB       TRP  18  -7.391  -4.670  -7.244
  120   2HB   TRP  18          1HB       TRP  18  -5.680  -4.284  -7.059
  121    HD1  TRP  18           HD       TRP  18  -4.100  -6.184  -6.231
  122    HE1  TRP  18          1HE       TRP  18  -4.437  -8.650  -5.587
  123    HE3  TRP  18          3HE       TRP  18  -9.207  -6.319  -6.187
  124    HZ2  TRP  18          2HZ       TRP  18  -6.582 -10.420  -5.125
  125    HZ3  TRP  18          3HZ       TRP  18 -10.324  -8.439  -5.632
  126    HH2  TRP  18           HH       TRP  18  -9.038 -10.447  -5.113
  127    H    GLY  19           H        GLY  19  -6.930  -1.719  -3.958
  128   1HA   GLY  19          2HA       GLY  19  -4.251  -0.829  -4.704
  129   2HA   GLY  19          1HA       GLY  19  -5.450   0.095  -3.811
  130    H    GLN  20           H        GLN  20  -6.040  -1.720  -1.771
  131    HA   GLN  20           HA       GLN  20  -3.970  -1.167   0.058
  132   1HB   GLN  20          2HB       GLN  20  -6.189  -3.208   0.320
  133   2HB   GLN  20          1HB       GLN  20  -5.246  -2.523   1.637
  134   1HG   GLN  20          2HG       GLN  20  -6.187  -0.262   0.565
  135   2HG   GLN  20          1HG       GLN  20  -7.483  -1.363   0.097
  136   1HE2  GLN  20          1HE2      GLN  20  -5.465  -0.731   2.953
  137   2HE2  GLN  20          2HE2      GLN  20  -6.764  -0.764   4.090
  138    H    ALA  21           H        ALA  21  -4.874  -4.108  -1.677
  139    HA   ALA  21           HA       ALA  21  -2.891  -5.780  -0.506
  140   1HB   ALA  21          1HB       ALA  21  -5.089  -6.233  -1.993
  141   2HB   ALA  21          2HB       ALA  21  -3.794  -7.413  -1.785
  142   3HB   ALA  21          3HB       ALA  21  -3.842  -6.398  -3.227
  143    H    PHE  22           H        PHE  22  -3.096  -4.320  -3.751
  144    HA   PHE  22           HA       PHE  22  -0.559  -5.056  -4.619
  145   1HB   PHE  22          2HB       PHE  22  -2.338  -4.072  -6.079
  146   2HB   PHE  22          1HB       PHE  22  -1.973  -2.489  -5.383
  147    HD1  PHE  22          1HD       PHE  22  -0.683  -1.161  -6.653
  148    HD2  PHE  22          2HD       PHE  22  -0.058  -5.351  -6.809
  149    HE1  PHE  22          1HE       PHE  22   1.156  -0.820  -8.218
  150    HE2  PHE  22          2HE       PHE  22   1.784  -5.021  -8.381
  151    HZ   PHE  22           HZ       PHE  22   2.397  -2.749  -9.107
  152    H    GLN  23           H        GLN  23  -1.400  -2.546  -2.356
  153    HA   GLN  23           HA       GLN  23   1.012  -1.043  -2.871
  154   1HB   GLN  23          2HB       GLN  23  -1.057   0.054  -2.042
  155   2HB   GLN  23          1HB       GLN  23  -0.890  -0.820  -0.525
  156   1HG   GLN  23          2HG       GLN  23   1.432   0.777  -1.421
  157   2HG   GLN  23          1HG       GLN  23   0.009   1.660  -0.872
  158   1HE2  GLN  23          1HE2      GLN  23   1.949   2.211   0.649
  159   2HE2  GLN  23          2HE2      GLN  23   1.985   1.305   2.120
  160    H    GLU  24           H        GLU  24  -0.166  -3.150  -0.283
  161    HA   GLU  24           HA       GLU  24   2.185  -3.063   1.279
  162   1HB   GLU  24          2HB       GLU  24  -0.283  -4.003   1.721
  163   2HB   GLU  24          1HB       GLU  24   0.488  -5.513   1.263
  164   1HG   GLU  24          2HG       GLU  24   1.588  -5.674   3.197
  165   2HG   GLU  24          1HG       GLU  24   2.004  -3.961   3.210
  166    H    ARG  25           H        ARG  25   1.171  -4.901  -1.474
  167    HA   ARG  25           HA       ARG  25   3.217  -6.884  -1.349
  168   1HB   ARG  25          2HB       ARG  25   0.832  -6.659  -2.630
  169   2HB   ARG  25          1HB       ARG  25   1.933  -6.262  -3.941
  170   1HG   ARG  25          2HG       ARG  25   2.635  -8.635  -2.347
  171   2HG   ARG  25          1HG       ARG  25   1.172  -8.758  -3.326
  172   1HD   ARG  25          2HD       ARG  25   3.132  -7.542  -4.946
  173   2HD   ARG  25          1HD       ARG  25   3.917  -8.899  -4.140
  174    HE   ARG  25           HE       ARG  25   1.954  -9.032  -6.207
  175   1HH1  ARG  25          1HH1      ARG  25   3.181 -10.698  -3.396
  176   2HH1  ARG  25          2HH1      ARG  25   2.658 -12.257  -3.937
  177   1HH2  ARG  25          1HH2      ARG  25   1.268 -11.083  -6.921
  178   2HH2  ARG  25          2HH2      ARG  25   1.574 -12.476  -5.938
  179    H    TYR  26           H        TYR  26   2.660  -4.039  -3.428
  180    HA   TYR  26           HA       TYR  26   5.193  -4.317  -4.743
  181   1HB   TYR  26          2HB       TYR  26   4.353  -2.871  -6.239
  182   2HB   TYR  26          1HB       TYR  26   2.853  -3.261  -5.426
  183    HD1  TYR  26          1HD       TYR  26   1.586  -1.652  -4.469
  184    HD2  TYR  26          2HD       TYR  26   5.526  -0.685  -5.565
  185    HE1  TYR  26          1HE       TYR  26   1.051   0.703  -4.110
  186    HE2  TYR  26          2HE       TYR  26   5.050   1.683  -5.169
  187    HH   TYR  26           HH       TYR  26   2.717   2.855  -3.458
  188    H    THR  27           H        THR  27   3.930  -1.730  -2.559
  189    HA   THR  27           HA       THR  27   6.322  -0.304  -2.430
  190    HB   THR  27           HB       THR  27   4.584  -0.505  -0.003
  191    HG1  THR  27          1HG       THR  27   3.619   1.315  -1.725
  192   1HG2  THR  27          1HG2      THR  27   5.349   2.069  -1.240
  193   2HG2  THR  27          2HG2      THR  27   6.627   1.122  -0.479
  194   3HG2  THR  27          3HG2      THR  27   5.218   1.615   0.458
  195    H    ALA  28           H        ALA  28   5.514  -3.336  -1.017
  196    HA   ALA  28           HA       ALA  28   7.515  -3.237   1.040
  197   1HB   ALA  28          1HB       ALA  28   5.756  -5.381  -0.091
  198   2HB   ALA  28          2HB       ALA  28   5.818  -4.737   1.549
  199   3HB   ALA  28          3HB       ALA  28   7.096  -5.807   0.974
  200    H    GLY  29           H        GLY  29   7.252  -5.102  -1.995
  201   1HA   GLY  29          2HA       GLY  29   9.971  -5.954  -1.939
  202   2HA   GLY  29          1HA       GLY  29   8.876  -6.070  -3.310
  203    H    ILE  30           H        ILE  30   8.269  -3.386  -3.701
  204    HA   ILE  30           HA       ILE  30  10.362  -2.540  -5.325
  205    HB   ILE  30           HB       ILE  30   8.107  -0.925  -4.124
  206   1HG1  ILE  30          2HG1      ILE  30   7.422  -2.792  -5.579
  207   2HG1  ILE  30          1HG1      ILE  30   7.063  -1.234  -6.315
  208   1HG2  ILE  30          1HG2      ILE  30   9.945  -0.190  -6.400
  209   2HG2  ILE  30          2HG2      ILE  30   9.941   0.549  -4.798
  210   3HG2  ILE  30          3HG2      ILE  30   8.542   0.732  -5.857
  211   1HD1  ILE  30          1HD1      ILE  30   9.447  -1.643  -7.404
  212   2HD1  ILE  30          2HD1      ILE  30   7.956  -2.266  -8.109
  213   3HD1  ILE  30          3HD1      ILE  30   8.979  -3.323  -7.135
  214    H    ASN  31           H        ASN  31   9.434  -1.319  -2.087
  215    HA   ASN  31           HA       ASN  31  11.372   0.621  -1.783
  216   1HB   ASN  31          2HB       ASN  31   9.525   0.093  -0.149
  217   2HB   ASN  31          1HB       ASN  31  10.508  -1.253   0.433
  218   1HD2  ASN  31          1HD2      ASN  31   9.543   1.259   1.706
  219   2HD2  ASN  31          2HD2      ASN  31  10.962   2.003   2.355
  220    H    SER  32           H        SER  32  11.635  -2.819  -0.863
  221    HA   SER  32           HA       SER  32  14.342  -2.670  -0.092
  222   1HB   SER  32          2HB       SER  32  14.245  -5.227  -0.577
  223   2HB   SER  32          1HB       SER  32  13.222  -4.569   0.701
  224    HG   SER  32           HG       SER  32  11.478  -4.893  -0.498
  225    H    PHE  33           H        PHE  33  12.799  -3.262  -3.192
  226    HA   PHE  33           HA       PHE  33  14.982  -4.201  -4.648
  227   1HB   PHE  33          2HB       PHE  33  13.335  -4.281  -6.168
  228   2HB   PHE  33          1HB       PHE  33  12.336  -3.207  -5.200
  229    HD1  PHE  33          1HD       PHE  33  11.864  -1.029  -5.948
  230    HD2  PHE  33          2HD       PHE  33  15.001  -3.239  -7.776
  231    HE1  PHE  33          1HE       PHE  33  12.057   0.689  -7.679
  232    HE2  PHE  33          2HE       PHE  33  15.197  -1.517  -9.515
  233    HZ   PHE  33           HZ       PHE  33  13.723   0.449  -9.469
  234    H    VAL  34           H        VAL  34  14.039  -0.918  -3.798
  235    HA   VAL  34           HA       VAL  34  15.905   0.474  -5.400
  236    HB   VAL  34           HB       VAL  34  14.930   1.459  -2.742
  237   1HG1  VAL  34          1HG1      VAL  34  15.379   3.547  -3.521
  238   2HG1  VAL  34          2HG1      VAL  34  15.098   3.102  -5.205
  239   3HG1  VAL  34          3HG1      VAL  34  16.599   2.632  -4.406
  240   1HG2  VAL  34          1HG2      VAL  34  12.875   0.884  -3.511
  241   2HG2  VAL  34          2HG2      VAL  34  13.382   0.890  -5.199
  242   3HG2  VAL  34          3HG2      VAL  34  13.051   2.413  -4.375
  243    H    SER  35           H        SER  35  16.004  -0.180  -1.924
  244    HA   SER  35           HA       SER  35  18.587   0.735  -1.469
  245   1HB   SER  35          2HB       SER  35  17.089  -1.511  -0.122
  246   2HB   SER  35          1HB       SER  35  18.607  -0.842   0.477
  247    HG   SER  35           HG       SER  35  16.327   0.758  -0.017
  248    H    GLY  36           H        GLY  36  17.503  -2.481  -2.490
  249   1HA   GLY  36          2HA       GLY  36  19.974  -3.795  -2.392
  250   2HA   GLY  36          1HA       GLY  36  18.636  -4.232  -3.446
  251    H    VAL  37           H        VAL  37  18.434  -2.047  -5.081
  252    HA   VAL  37           HA       VAL  37  20.665  -2.463  -6.844
  253    HB   VAL  37           HB       VAL  37  19.516  -0.955  -8.379
  254   1HG1  VAL  37          1HG1      VAL  37  18.054  -2.534  -8.986
  255   2HG1  VAL  37          2HG1      VAL  37  17.172  -2.441  -7.462
  256   3HG1  VAL  37          3HG1      VAL  37  18.641  -3.415  -7.573
  257   1HG2  VAL  37          1HG2      VAL  37  17.395   0.101  -7.797
  258   2HG2  VAL  37          2HG2      VAL  37  18.696   0.682  -6.756
  259   3HG2  VAL  37          3HG2      VAL  37  17.538  -0.501  -6.146
  260    H    ALA  38           H        ALA  38  19.706  -0.071  -4.504
  261    HA   ALA  38           HA       ALA  38  21.353   2.050  -5.464
  262   1HB   ALA  38          1HB       ALA  38  20.742   3.202  -3.502
  263   2HB   ALA  38          2HB       ALA  38  20.389   1.703  -2.641
  264   3HB   ALA  38          3HB       ALA  38  19.336   2.236  -3.951
  265    H    SER  39           H        SER  39  21.942  -0.755  -3.516
  266    HA   SER  39           HA       SER  39  24.230   0.138  -2.126
  267   1HB   SER  39          2HB       SER  39  23.419  -2.654  -2.970
  268   2HB   SER  39          1HB       SER  39  24.734  -2.290  -1.852
  269    HG   SER  39           HG       SER  39  22.801  -2.754  -0.740
  270    H    GLY  40           H        GLY  40  23.766  -1.190  -5.338
  271   1HA   GLY  40          2HA       GLY  40  25.903  -0.083  -6.580
  272   2HA   GLY  40          1HA       GLY  40  26.595  -1.511  -5.825
  273    H    ALA  41           H        ALA  41  23.551  -0.815  -7.552
  274    HA   ALA  41           HA       ALA  41  23.336  -3.352  -8.718
  275   1HB   ALA  41          1HB       ALA  41  21.479  -1.729  -8.521
  276   2HB   ALA  41          2HB       ALA  41  21.641  -2.398 -10.145
  277   3HB   ALA  41          3HB       ALA  41  22.221  -0.768  -9.802
  278    H    GLY  42           H        GLY  42  25.046  -0.477  -9.759
  279   1HA   GLY  42          2HA       GLY  42  25.482  -1.297 -12.444
  280   2HA   GLY  42          1HA       GLY  42  26.369  -0.051 -11.587
  281    H    SER  43           H        SER  43  26.906  -2.336  -9.511
  282    HA   SER  43           HA       SER  43  29.522  -2.881 -10.311
  283   1HB   SER  43          2HB       SER  43  27.797  -4.439  -8.372
  284   2HB   SER  43          1HB       SER  43  29.549  -4.569  -8.509
  285    HG   SER  43           HG       SER  43  28.345  -2.065  -8.054
  286    H    ILE  44           H        ILE  44  26.759  -5.147 -10.276
  287    HA   ILE  44           HA       ILE  44  27.985  -6.521 -12.572
  288    HB   ILE  44           HB       ILE  44  28.624  -7.954 -10.827
  289   1HG1  ILE  44          2HG1      ILE  44  27.425 -10.006 -11.222
  290   2HG1  ILE  44          1HG1      ILE  44  26.001  -9.125 -11.760
  291   1HG2  ILE  44          1HG2      ILE  44  26.830  -6.816  -9.253
  292   2HG2  ILE  44          2HG2      ILE  44  27.539  -8.386  -8.884
  293   3HG2  ILE  44          3HG2      ILE  44  25.940  -8.294  -9.620
  294   1HD1  ILE  44          1HD1      ILE  44  28.189  -8.313 -13.365
  295   2HD1  ILE  44          2HD1      ILE  44  26.746  -9.209 -13.837
  296   3HD1  ILE  44          3HD1      ILE  44  28.182 -10.074 -13.288
  297    H    GLY  45           H        GLY  45  25.017  -6.953 -10.595
  298   1HA   GLY  45          2HA       GLY  45  22.823  -6.447 -11.262
  299   2HA   GLY  45          1HA       GLY  45  23.399  -6.207 -12.905
  300    H    ARG  46           H        ARG  46  24.795  -8.694 -13.107
  301    HA   ARG  46           HA       ARG  46  24.478 -10.877 -13.670
  302   1HB   ARG  46          2HB       ARG  46  23.334 -10.804 -11.283
  303   2HB   ARG  46          1HB       ARG  46  21.875 -11.058 -12.228
  304   1HG   ARG  46          2HG       ARG  46  22.524 -13.204 -11.669
  305   2HG   ARG  46          1HG       ARG  46  23.169 -13.006 -13.300
  306   1HD   ARG  46          2HD       ARG  46  24.947 -13.948 -12.135
  307   2HD   ARG  46          1HD       ARG  46  25.319 -12.224 -12.122
  308    HE   ARG  46           HE       ARG  46  23.886 -12.714  -9.818
  309   1HH1  ARG  46          1HH1      ARG  46  26.894 -13.793 -11.219
  310   2HH1  ARG  46          2HH1      ARG  46  27.650 -14.077  -9.687
  311   1HH2  ARG  46          1HH2      ARG  46  24.877 -13.086  -7.803
  312   2HH2  ARG  46          2HH2      ARG  46  26.505 -13.676  -7.746
  313    H    ARG  47           H        ARG  47  21.169  -9.574 -13.439
  314    HA   ARG  47           HA       ARG  47  19.456  -9.491 -14.924
  315   1HB   ARG  47          2HB       ARG  47  21.542  -9.430 -17.104
  316   2HB   ARG  47          1HB       ARG  47  19.908  -8.793 -17.166
  317   1HG   ARG  47          2HG       ARG  47  22.066  -7.691 -15.378
  318   2HG   ARG  47          1HG       ARG  47  21.696  -7.079 -16.982
  319   1HD   ARG  47          2HD       ARG  47  19.237  -7.044 -15.888
  320   2HD   ARG  47          1HD       ARG  47  20.222  -6.775 -14.448
  321    HE   ARG  47           HE       ARG  47  20.666  -4.673 -15.211
  322   1HH1  ARG  47          1HH1      ARG  47  19.576  -6.616 -17.897
  323   2HH1  ARG  47          2HH1      ARG  47  19.605  -5.300 -19.023
  324   1HH2  ARG  47          1HH2      ARG  47  20.715  -2.941 -16.695
  325   2HH2  ARG  47          2HH2      ARG  47  20.253  -3.215 -18.342
  326    HA   PRO  48           HA       PRO  48  19.932 -13.986 -16.001
  327   1HB   PRO  48          2HB       PRO  48  17.881 -14.926 -14.530
  328   2HB   PRO  48          1HB       PRO  48  19.482 -14.647 -13.834
  329   1HG   PRO  48          2HG       PRO  48  17.033 -12.928 -13.706
  330   2HG   PRO  48          1HG       PRO  48  18.187 -13.330 -12.420
  331   1HD   PRO  48          2HD       PRO  48  18.239 -10.976 -13.801
  332   2HD   PRO  48          1HD       PRO  48  19.688 -11.727 -13.097