*HEADER   TOXIN                                   17-DEC-96   4ULL    
*TITLE    SOLUTION NMR STRUCTURE OF VEROTOXIN-1 B-SUBUNIT FROM        
*TITLE   2 E. COLI, 5 STRUCTURES                                      
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: SHIGA-LIKE TOXIN I SUBUNIT B;                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: VEROTOXIN 1 SUBUNIT B                             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE H30 AND H19B            
*KEYWDS   TOXIN, SIGNAL                                               
*EXPDTA   NMR, 5 STRUCTURES                                           
*AUTHOR   J.M.RICHARDSON,P.D.EVANS,S.W.HOMANS,A.DONOHUE-ROLFE         
*REVDAT  1   01-APR-97 4ULL    0                                      

! Hydrogen bonds have been tightened to attempt to define B-sheet/sheet interactions 
!   as they are not very good at the moment - distance reduced to 1.9/2.9 A, and bounds to 0.1 A (lower) and
! 0.2 A (upper)
! IN addition, wiehting of this class increased - 12th August 1996, PDE.
!Hydrogen bonds from latest data - some re-assignments based upon xstal struct
!HN14 - C=66, no data. Not in jmr's set
!HN12 not in jmr's set.
!HN11 to C=O23 in jmr - here to C=O9
!set message=off echo=off end
assign (segid VT1 and resid 24 and name HN  )(segid VT1 and resid  27  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 23 and name HN  )(segid VT1 and resid  11  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 22 and name HN  )(segid VT1 and resid  29  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 21 and name HN  )(segid VT1 and resid  13  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 29 and name HN  )(segid VT1 and resid  22  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 31 and name HN  )(segid VT1 and resid  20  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid  7 and name HN  )(segid VT1 and resid  50  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 52 and name HN  )(segid VT1 and resid   5  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 51 and name HN  )(segid VT1 and resid  67  and name O ) 1.9 0.1 0.2!!
assign (segid VT1 and resid 50 and name HN  )(segid VT1 and resid   7  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 49 and name HN  )(segid VT1 and resid  69  and name OT#) 1.9 0.1 0.2!
assign (segid VT1 and resid 67 and name HN  )(segid VT1 and resid  51  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 40 and name HN  )(segid VT1 and resid  36  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 41 and name HN  )(segid VT1 and resid  37  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 42 and name HN  )(segid VT1 and resid  38  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 43 and name HN  )(segid VT1 and resid  39  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 45 and name HN  )(segid VT1 and resid  41  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 11 and name HN  )(segid VT1 and resid   9  and name O ) 1.9 0.1 0.2!!or 23
assign (segid VT1 and resid 13 and name HN  )(segid VT1 and resid  21  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 66 and name HN  )(segid VT2 and resid  14  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 66 and name O  )(segid VT2 and resid  14  and name HN ) 1.9 0.1 0.2!
assign (segid VT1 and resid 68 and name HN  )(segid VT2 and resid  12  and name O ) 1.9 0.1 0.2!
assign (segid VT1 and resid 68 and name O  )(segid VT2 and resid  12  and name HN ) 1.9 0.1 0.2!

assign (segid VT1 and resid 24 and name N  )(segid VT1 and resid  27  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 23 and name N  )(segid VT1 and resid  11  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 22 and name N  )(segid VT1 and resid  29  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 21 and name N  )(segid VT1 and resid  13  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 29 and name N  )(segid VT1 and resid  22  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 31 and name N  )(segid VT1 and resid  20  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid  7 and name N  )(segid VT1 and resid  50  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 52 and name N  )(segid VT1 and resid   5  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 51 and name N  )(segid VT1 and resid  67  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 50 and name N  )(segid VT1 and resid   7  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 49 and name N  )(segid VT1 and resid  69  and name OT#) 2.9 0.1 0.2!!
assign (segid VT1 and resid 67 and name N  )(segid VT1 and resid  51  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 40 and name N  )(segid VT1 and resid  36  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 41 and name N  )(segid VT1 and resid  37  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 42 and name N  )(segid VT1 and resid  38  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 43 and name N  )(segid VT1 and resid  39  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 45 and name N  )(segid VT1 and resid  41  and name O ) 2.9 0.1 0.2!
assign (segid VT1 and resid 11 and name N  )(segid VT1 and resid   9  and name O ) 2.9 0.1 0.2!!
assign (segid VT1 and resid 13 and name N  )(segid VT1 and resid  21  and name O ) 2.9 0.1 0.2!
assign (segid VT1 and resid 66 and name N  )(segid VT2 and resid  14  and name O ) 2.9 0.1 0.2!
assign (segid VT1 and resid 66 and name O  )(segid VT2 and resid  14  and name N ) 2.9 0.1 0.2!
assign (segid VT1 and resid 68 and name N  )(segid VT2 and resid  12  and name O ) 2.9 0.1 0.2!
assign (segid VT1 and resid 68 and name O  )(segid VT2 and resid  12  and name N ) 2.9 0.1 0.2!

assign (segid VT2 and resid 24 and name HN  )(segid VT2 and resid  27  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 23 and name HN  )(segid VT2 and resid  11  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 22 and name HN  )(segid VT2 and resid  29  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 21 and name HN  )(segid VT2 and resid  13  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 29 and name HN  )(segid VT2 and resid  22  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 31 and name HN  )(segid VT2 and resid  20  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid  7 and name HN  )(segid VT2 and resid  50  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 52 and name HN  )(segid VT2 and resid   5  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 51 and name HN  )(segid VT2 and resid  67  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 50 and name HN  )(segid VT2 and resid   7  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 49 and name HN  )(segid VT2 and resid  69  and name OT#) 1.9 0.1 0.2!
assign (segid VT2 and resid 67 and name HN  )(segid VT2 and resid  51  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 40 and name HN  )(segid VT2 and resid  36  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 41 and name HN  )(segid VT2 and resid  37  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 42 and name HN  )(segid VT2 and resid  38  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 43 and name HN  )(segid VT2 and resid  39  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 45 and name HN  )(segid VT2 and resid  41  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 11 and name HN  )(segid VT2 and resid   9  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 13 and name HN  )(segid VT2 and resid  21  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 66 and name HN  )(segid VT3 and resid  14  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 66 and name O  )(segid VT3 and resid  14  and name HN ) 1.9 0.1 0.2! - NO DATA
assign (segid VT2 and resid 68 and name HN  )(segid VT3 and resid  12  and name O ) 1.9 0.1 0.2!
assign (segid VT2 and resid 68 and name O  )(segid VT3 and resid  12  and name HN ) 1.9 0.1 0.2!

assign (segid VT2 and resid 24 and name N  )(segid VT2 and resid  27  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 23 and name N  )(segid VT2 and resid  11  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 22 and name N  )(segid VT2 and resid  29  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 21 and name N  )(segid VT2 and resid  13  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 29 and name N  )(segid VT2 and resid  22  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 31 and name N  )(segid VT2 and resid  20  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid  7 and name N  )(segid VT2 and resid  50  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 52 and name N  )(segid VT2 and resid   5  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 51 and name N  )(segid VT2 and resid  67  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 50 and name N  )(segid VT2 and resid   7  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 49 and name N  )(segid VT2 and resid  69  and name OT#) 2.9 0.1 0.2!!
assign (segid VT2 and resid 67 and name N  )(segid VT2 and resid  51  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 40 and name N  )(segid VT2 and resid  36  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 41 and name N  )(segid VT2 and resid  37  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 42 and name N  )(segid VT2 and resid  38  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 43 and name N  )(segid VT2 and resid  39  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 45 and name N  )(segid VT2 and resid  41  and name O ) 2.9 0.1 0.2!
assign (segid VT2 and resid 11 and name N  )(segid VT2 and resid   9  and name O ) 2.9 0.1 0.2!!
assign (segid VT2 and resid 13 and name N  )(segid VT2 and resid  21  and name O ) 2.9 0.1 0.2!
assign (segid VT2 and resid 66 and name N  )(segid VT3 and resid  14  and name O ) 2.9 0.1 0.2!
assign (segid VT2 and resid 66 and name O  )(segid VT3 and resid  14  and name N ) 2.9 0.1 0.2! - NO DATA !!
assign (segid VT2 and resid 68 and name N  )(segid VT3 and resid  12  and name O ) 2.9 0.1 0.2!
assign (segid VT2 and resid 68 and name O  )(segid VT3 and resid  12  and name N ) 2.9 0.1 0.2!


assign (segid VT3 and resid 24 and name HN  )(segid VT3 and resid  27  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 23 and name HN  )(segid VT3 and resid  11  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 22 and name HN  )(segid VT3 and resid  29  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 21 and name HN  )(segid VT3 and resid  13  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 29 and name HN  )(segid VT3 and resid  22  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 31 and name HN  )(segid VT3 and resid  20  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid  7 and name HN  )(segid VT3 and resid  50  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 52 and name HN  )(segid VT3 and resid   5  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 51 and name HN  )(segid VT3 and resid  67  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 50 and name HN  )(segid VT3 and resid   7  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 49 and name HN  )(segid VT3 and resid  69  and name OT#) 1.9 0.1 0.2!
assign (segid VT3 and resid 67 and name HN  )(segid VT3 and resid  51  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 40 and name HN  )(segid VT3 and resid  36  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 41 and name HN  )(segid VT3 and resid  37  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 42 and name HN  )(segid VT3 and resid  38  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 43 and name HN  )(segid VT3 and resid  39  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 45 and name HN  )(segid VT3 and resid  41  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 11 and name HN  )(segid VT3 and resid   9  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 13 and name HN  )(segid VT3 and resid  21  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 66 and name HN  )(segid VT4 and resid  14  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 66 and name O  )(segid VT4 and resid  14  and name HN ) 1.9 0.1 0.2!
assign (segid VT3 and resid 68 and name HN  )(segid VT4 and resid  12  and name O ) 1.9 0.1 0.2!
assign (segid VT3 and resid 68 and name O  )(segid VT4 and resid  12  and name HN ) 1.9 0.1 0.2!

assign (segid VT3 and resid 24 and name N  )(segid VT3 and resid  27  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 23 and name N  )(segid VT3 and resid  11  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 22 and name N  )(segid VT3 and resid  29  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 21 and name N  )(segid VT3 and resid  13  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 29 and name N  )(segid VT3 and resid  22  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 31 and name N  )(segid VT3 and resid  20  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid  7 and name N  )(segid VT3 and resid  50  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 52 and name N  )(segid VT3 and resid   5  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 51 and name N  )(segid VT3 and resid  67  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 50 and name N  )(segid VT3 and resid   7  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 49 and name N  )(segid VT3 and resid  69  and name OT#) 2.9 0.1 0.2!!
assign (segid VT3 and resid 67 and name N  )(segid VT3 and resid  51  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 40 and name N  )(segid VT3 and resid  36  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 41 and name N  )(segid VT3 and resid  37  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 42 and name N  )(segid VT3 and resid  38  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 43 and name N  )(segid VT3 and resid  39  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 45 and name N  )(segid VT3 and resid  41  and name O ) 2.9 0.1 0.2!
assign (segid VT3 and resid 11 and name N  )(segid VT3 and resid   9  and name O ) 2.9 0.1 0.2!!
assign (segid VT3 and resid 13 and name N  )(segid VT3 and resid  21  and name O ) 2.9 0.1 0.2!
assign (segid VT3 and resid 66 and name N  )(segid VT4 and resid  14  and name O ) 2.9 0.1 0.2!
assign (segid VT3 and resid 66 and name O  )(segid VT4 and resid  14  and name N ) 2.9 0.1 0.2!
assign (segid VT3 and resid 68 and name N  )(segid VT4 and resid  12  and name O ) 2.9 0.1 0.2!
assign (segid VT3 and resid 68 and name O  )(segid VT4 and resid  12  and name N ) 2.9 0.1 0.2!


assign (segid VT4 and resid 24 and name HN  )(segid VT4 and resid  27  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 23 and name HN  )(segid VT4 and resid  11  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 22 and name HN  )(segid VT4 and resid  29  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 21 and name HN  )(segid VT4 and resid  13  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 29 and name HN  )(segid VT4 and resid  22  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 31 and name HN  )(segid VT4 and resid  20  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid  7 and name HN  )(segid VT4 and resid  50  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 52 and name HN  )(segid VT4 and resid   5  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 51 and name HN  )(segid VT4 and resid  67  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 50 and name HN  )(segid VT4 and resid   7  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 49 and name HN  )(segid VT4 and resid  69  and name OT#) 1.9 0.1 0.2!
assign (segid VT4 and resid 67 and name HN  )(segid VT4 and resid  51  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 40 and name HN  )(segid VT4 and resid  36  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 41 and name HN  )(segid VT4 and resid  37  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 42 and name HN  )(segid VT4 and resid  38  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 43 and name HN  )(segid VT4 and resid  39  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 45 and name HN  )(segid VT4 and resid  41  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 11 and name HN  )(segid VT4 and resid   9  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 13 and name HN  )(segid VT4 and resid  21  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 66 and name HN  )(segid VT5 and resid  14  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 66 and name O  )(segid VT5 and resid  14  and name HN ) 1.9 0.1 0.2!
assign (segid VT4 and resid 68 and name HN  )(segid VT5 and resid  12  and name O ) 1.9 0.1 0.2!
assign (segid VT4 and resid 68 and name O  )(segid VT5 and resid  12  and name HN ) 1.9 0.1 0.2!

assign (segid VT4 and resid 24 and name N  )(segid VT4 and resid  27  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 23 and name N  )(segid VT4 and resid  11  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 22 and name N  )(segid VT4 and resid  29  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 21 and name N  )(segid VT4 and resid  13  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 29 and name N  )(segid VT4 and resid  22  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 31 and name N  )(segid VT4 and resid  20  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid  7 and name N  )(segid VT4 and resid  50  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 52 and name N  )(segid VT4 and resid   5  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 51 and name N  )(segid VT4 and resid  67  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 50 and name N  )(segid VT4 and resid   7  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 49 and name N  )(segid VT4 and resid  69  and name OT#) 2.9 0.1 0.2!!
assign (segid VT4 and resid 67 and name N  )(segid VT4 and resid  51  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 40 and name N  )(segid VT4 and resid  36  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 41 and name N  )(segid VT4 and resid  37  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 42 and name N  )(segid VT4 and resid  38  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 43 and name N  )(segid VT4 and resid  39  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 45 and name N  )(segid VT4 and resid  41  and name O ) 2.9 0.1 0.2!
assign (segid VT4 and resid 11 and name N  )(segid VT4 and resid   9  and name O ) 2.9 0.1 0.2!!
assign (segid VT4 and resid 13 and name N  )(segid VT4 and resid  21  and name O ) 2.9 0.1 0.2!
assign (segid VT4 and resid 66 and name N  )(segid VT5 and resid  14  and name O ) 2.9 0.1 0.2!
assign (segid VT4 and resid 66 and name O  )(segid VT5 and resid  14  and name N ) 2.9 0.1 0.2!
assign (segid VT4 and resid 68 and name N  )(segid VT5 and resid  12  and name O ) 2.9 0.1 0.2!
assign (segid VT4 and resid 68 and name O  )(segid VT5 and resid  12  and name N ) 2.9 0.1 0.2!

assign (segid VT5 and resid 24 and name HN  )(segid VT5 and resid  27  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 23 and name HN  )(segid VT5 and resid  11  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 22 and name HN  )(segid VT5 and resid  29  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 21 and name HN  )(segid VT5 and resid  13  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 29 and name HN  )(segid VT5 and resid  22  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 31 and name HN  )(segid VT5 and resid  20  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid  7 and name HN  )(segid VT5 and resid  50  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 52 and name HN  )(segid VT5 and resid   5  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 51 and name HN  )(segid VT5 and resid  67  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 50 and name HN  )(segid VT5 and resid   7  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 49 and name HN  )(segid VT5 and resid  69  and name OT#) 1.9 0.1 0.2!
assign (segid VT5 and resid 67 and name HN  )(segid VT5 and resid  51  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 40 and name HN  )(segid VT5 and resid  36  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 41 and name HN  )(segid VT5 and resid  37  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 42 and name HN  )(segid VT5 and resid  38  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 43 and name HN  )(segid VT5 and resid  39  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 45 and name HN  )(segid VT5 and resid  41  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 11 and name HN  )(segid VT5 and resid   9  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 13 and name HN  )(segid VT5 and resid  21  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 66 and name HN  )(segid VT1 and resid  14  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 66 and name O  )(segid VT1 and resid  14  and name HN ) 1.9 0.1 0.2!
assign (segid VT5 and resid 68 and name HN  )(segid VT1 and resid  12  and name O ) 1.9 0.1 0.2!
assign (segid VT5 and resid 68 and name O  )(segid VT1 and resid  12  and name HN ) 1.9 0.1 0.2!




assign (segid VT5 and resid 24 and name N  )(segid VT5 and resid  27  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 23 and name N  )(segid VT5 and resid  11  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 22 and name N  )(segid VT5 and resid  29  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 21 and name N  )(segid VT5 and resid  13  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 29 and name N  )(segid VT5 and resid  22  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 31 and name N  )(segid VT5 and resid  20  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid  7 and name N  )(segid VT5 and resid  50  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 52 and name N  )(segid VT5 and resid   5  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 51 and name N  )(segid VT5 and resid  67  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 50 and name N  )(segid VT5 and resid   7  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 49 and name N  )(segid VT5 and resid  69  and name OT#) 2.9 0.1 0.2!!
assign (segid VT5 and resid 67 and name N  )(segid VT5 and resid  51  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 40 and name N  )(segid VT5 and resid  36  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 41 and name N  )(segid VT5 and resid  37  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 42 and name N  )(segid VT5 and resid  38  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 43 and name N  )(segid VT5 and resid  39  and name O ) 2.9 0.1 0.2!!
assign (segid VT5 and resid 45 and name N  )(segid VT5 and resid  41  and name O ) 2.9 0.1 0.2!
assign (segid VT5 and resid 11 and name N  )(segid VT5 and resid   9  and name O ) 2.9 0.1 0.2!!or 23
assign (segid VT5 and resid 13 and name N  )(segid VT5 and resid  21  and name O ) 2.9 0.1 0.2!
assign (segid VT5 and resid 66 and name N  )(segid VT1 and resid  14  and name O ) 2.9 0.1 0.2!
assign (segid VT5 and resid 66 and name O  )(segid VT1 and resid  14  and name N ) 2.9 0.1 0.2!
assign (segid VT5 and resid 68 and name N  )(segid VT1 and resid  12  and name O ) 2.9 0.1 0.2!
assign (segid VT5 and resid 68 and name O  )(segid VT1 and resid  12  and name N ) 2.9 0.1 0.2!


!set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1           HT2      THR   1  36.957  91.915 -80.876
    2   2H    THR   1           HT1      THR   1  37.564  90.372 -80.487
    3   3H    THR   1           HT3      THR   1  36.495  90.558 -81.794
    4    HA   THR   1           HA       THR   1  34.697  90.421 -80.497
    5    HB   THR   1           HB       THR   1  35.567  89.748 -77.966
    6    HG1  THR   1           HG1      THR   1  37.690  89.823 -78.255
    7   1HG2  THR   1          HG21      THR   1  35.002  88.290 -80.497
    8   2HG2  THR   1          HG23      THR   1  35.789  87.373 -79.214
    9   3HG2  THR   1          HG22      THR   1  34.231  88.145 -78.917
   10    HA   PRO   2           HA       PRO   2  33.948  94.023 -78.082
   11   1HB   PRO   2           HB2      PRO   2  31.981  93.146 -76.366
   12   2HB   PRO   2           HB1      PRO   2  31.708  93.461 -78.090
   13   1HG   PRO   2           HG2      PRO   2  31.941  90.846 -76.672
   14   2HG   PRO   2           HG1      PRO   2  31.086  91.238 -78.174
   15   1HD   PRO   2           HD2      PRO   2  33.601  89.953 -77.979
   16   2HD   PRO   2           HD1      PRO   2  32.882  90.634 -79.456
   17    H    ASP   3           HN       ASP   3  36.302  93.059 -77.152
   18    HA   ASP   3           HA       ASP   3  36.084  92.447 -74.280
   19   1HB   ASP   3           HB2      ASP   3  38.647  92.940 -75.789
   20   2HB   ASP   3           HB1      ASP   3  38.400  91.969 -74.341
   21    H    CYS   4           HN       CYS   4  38.695  94.001 -73.738
   22    HA   CYS   4           HA       CYS   4  38.084  96.790 -74.170
   23   1HB   CYS   4           HB2      CYS   4  36.269  96.412 -72.640
   24   2HB   CYS   4           HB1      CYS   4  37.346  95.622 -71.493
   25    H    VAL   5           HN       VAL   5  39.255  95.633 -71.013
   26    HA   VAL   5           HA       VAL   5  42.023  96.444 -71.833
   27    HB   VAL   5           HB       VAL   5  42.233  97.717 -69.745
   28   1HG1  VAL   5          HG13      VAL   5  40.577  98.408 -71.933
   29   2HG1  VAL   5          HG12      VAL   5  39.756  98.980 -70.481
   30   3HG1  VAL   5          HG11      VAL   5  41.406  99.499 -70.824
   31   1HG2  VAL   5          HG22      VAL   5  39.845  96.217 -69.077
   32   2HG2  VAL   5          HG21      VAL   5  40.894  97.157 -68.015
   33   3HG2  VAL   5          HG23      VAL   5  39.561  97.944 -68.861
   34    H    THR   6           HN       THR   6  43.217  96.183 -69.317
   35    HA   THR   6           HA       THR   6  43.184  93.253 -68.937
   36    HB   THR   6           HB       THR   6  45.348  93.666 -67.815
   37    HG1  THR   6           HG1      THR   6  44.872  96.353 -68.627
   38   1HG2  THR   6          HG23      THR   6  44.796  93.502 -70.430
   39   2HG2  THR   6          HG22      THR   6  45.611  95.067 -70.398
   40   3HG2  THR   6          HG21      THR   6  46.442  93.627 -69.808
   41    H    GLY   7           HN       GLY   7  43.965  92.805 -66.434
   42   1HA   GLY   7           HA2      GLY   7  42.267  94.476 -64.650
   43   2HA   GLY   7           HA1      GLY   7  41.934  92.756 -64.747
   44    H    LYS   8           HN       LYS   8  44.702  94.926 -64.119
   45    HA   LYS   8           HA       LYS   8  46.072  92.996 -62.439
   46   1HB   LYS   8           HB2      LYS   8  46.493  96.007 -62.586
   47   2HB   LYS   8           HB1      LYS   8  47.603  94.834 -61.885
   48   1HG   LYS   8           HG2      LYS   8  48.555  95.112 -63.972
   49   2HG   LYS   8           HG1      LYS   8  47.477  93.760 -64.285
   50   1HD   LYS   8           HD2      LYS   8  46.095  94.973 -65.595
   51   2HD   LYS   8           HD1      LYS   8  46.240  96.408 -64.580
   52   1HE   LYS   8           HE2      LYS   8  48.471  96.864 -65.538
   53   2HE   LYS   8           HE1      LYS   8  48.322  95.426 -66.556
   54   1HZ   LYS   8           HZ2      LYS   8  46.308  96.374 -67.535
   55   2HZ   LYS   8           HZ1      LYS   8  46.508  97.791 -66.583
   56   3HZ   LYS   8           HZ3      LYS   8  47.660  97.397 -67.780
   57    H    VAL   9           HN       VAL   9  46.490  95.149 -60.226
   58    HA   VAL   9           HA       VAL   9  43.776  95.479 -59.147
   59    HB   VAL   9           HB       VAL   9  45.747  93.658 -57.807
   60   1HG1  VAL   9          HG13      VAL   9  43.806  95.331 -56.669
   61   2HG1  VAL   9          HG12      VAL   9  43.070  93.730 -56.695
   62   3HG1  VAL   9          HG11      VAL   9  44.619  93.977 -55.887
   63   1HG2  VAL   9          HG22      VAL   9  43.122  93.246 -59.233
   64   2HG2  VAL   9          HG21      VAL   9  44.673  92.482 -59.577
   65   3HG2  VAL   9          HG23      VAL   9  43.779  92.045 -58.122
   66    H    GLU  10           HN       GLU  10  45.057  97.746 -59.425
   67    HA   GLU  10           HA       GLU  10  46.696  98.079 -56.975
   68   1HB   GLU  10           HB2      GLU  10  46.646  99.399 -59.631
   69   2HB   GLU  10           HB1      GLU  10  46.934 100.476 -58.266
   70   1HG   GLU  10           HG2      GLU  10  48.968  99.275 -59.437
   71   2HG   GLU  10           HG1      GLU  10  48.934  99.435 -57.685
   72    H    TYR  11           HN       TYR  11  44.310  97.778 -56.103
   73    HA   TYR  11           HA       TYR  11  43.303  99.361 -54.361
   74   1HB   TYR  11           HB2      TYR  11  44.046 101.409 -55.456
   75   2HB   TYR  11           HB1      TYR  11  43.017 101.087 -56.838
   76    HD1  TYR  11           HD2      TYR  11  40.450 101.018 -56.420
   77    HD2  TYR  11           HD1      TYR  11  43.280 102.686 -53.659
   78    HE1  TYR  11           HE2      TYR  11  38.649 102.366 -55.395
   79    HE2  TYR  11           HE1      TYR  11  41.475 104.048 -52.639
   80    HH   TYR  11           HH       TYR  11  38.630 104.671 -54.052
   81    H    THR  12           HN       THR  12  41.661  97.868 -53.979
   82    HA   THR  12           HA       THR  12  39.406  97.754 -56.015
   83    HB   THR  12           HB       THR  12  40.496  95.730 -54.060
   84    HG1  THR  12           HG1      THR  12  40.912  94.585 -55.920
   85   1HG2  THR  12          HG23      THR  12  37.878  95.866 -55.503
   86   2HG2  THR  12          HG22      THR  12  38.622  94.299 -55.186
   87   3HG2  THR  12          HG21      THR  12  38.214  95.368 -53.844
   88    H    LYS  13           HN       LYS  13  38.246  99.489 -55.011
   89    HA   LYS  13           HA       LYS  13  37.746  99.634 -52.172
   90   1HB   LYS  13           HB2      LYS  13  37.659 101.604 -53.654
   91   2HB   LYS  13           HB1      LYS  13  36.263 100.920 -54.479
   92   1HG   LYS  13           HG2      LYS  13  35.440 100.805 -51.869
   93   2HG   LYS  13           HG1      LYS  13  36.428 102.268 -51.857
   94   1HD   LYS  13           HD2      LYS  13  34.700 103.370 -52.789
   95   2HD   LYS  13           HD1      LYS  13  34.929 102.396 -54.241
   96   1HE   LYS  13           HE2      LYS  13  33.372 101.316 -51.903
   97   2HE   LYS  13           HE1      LYS  13  32.595 102.365 -53.089
   98   1HZ   LYS  13           HZ2      LYS  13  34.064  99.844 -53.721
   99   2HZ   LYS  13           HZ1      LYS  13  32.356 100.002 -53.635
  100   3HZ   LYS  13           HZ3      LYS  13  33.235 100.841 -54.859
  101    H    TYR  14           HN       TYR  14  36.852  97.686 -51.405
  102    HA   TYR  14           HA       TYR  14  34.386  96.655 -52.647
  103   1HB   TYR  14           HB2      TYR  14  34.927  94.707 -51.640
  104   2HB   TYR  14           HB1      TYR  14  36.407  95.471 -51.089
  105    HD1  TYR  14           HD1      TYR  14  32.939  94.569 -50.174
  106    HD2  TYR  14           HD2      TYR  14  36.639  96.230 -48.780
  107    HE1  TYR  14           HE1      TYR  14  32.134  94.384 -47.840
  108    HE2  TYR  14           HE2      TYR  14  35.830  96.045 -46.436
  109    HH   TYR  14           HH       TYR  14  34.207  94.833 -45.133
  110    H    ASN  15           HN       ASN  15  32.383  96.612 -51.657
  111    HA   ASN  15           HA       ASN  15  31.834  97.775 -49.082
  112   1HB   ASN  15           HB2      ASN  15  30.700  99.793 -49.741
  113   2HB   ASN  15           HB1      ASN  15  32.283  99.826 -50.510
  114   1HD2  ASN  15          HD22      ASN  15  28.932  99.527 -52.824
  115   2HD2  ASN  15          HD21      ASN  15  28.813  99.388 -51.137
  116    H    ASP  16           HN       ASP  16  30.547  96.896 -52.274
  117    HA   ASP  16           HA       ASP  16  27.854  96.472 -51.545
  118   1HB   ASP  16           HB2      ASP  16  29.272  94.823 -53.616
  119   2HB   ASP  16           HB1      ASP  16  27.605  95.399 -53.624
  120    H    ASP  17           HN       ASP  17  30.253  93.963 -52.141
  121    HA   ASP  17           HA       ASP  17  30.124  92.436 -49.790
  122   1HB   ASP  17           HB2      ASP  17  27.647  92.278 -51.112
  123   2HB   ASP  17           HB1      ASP  17  28.485  90.800 -51.586
  124    H    ASP  18           HN       ASP  18  30.023  92.307 -53.284
  125    HA   ASP  18           HA       ASP  18  32.664  90.996 -53.395
  126   1HB   ASP  18           HB2      ASP  18  31.298  89.034 -53.599
  127   2HB   ASP  18           HB1      ASP  18  30.126  89.861 -54.621
  128    H    THR  19           HN       THR  19  29.982  92.636 -55.058
  129    HA   THR  19           HA       THR  19  31.067  93.197 -57.562
  130    HB   THR  19           HB       THR  19  29.281  94.769 -55.702
  131    HG1  THR  19           HG1      THR  19  28.439  92.973 -56.790
  132   1HG2  THR  19          HG23      THR  19  30.762  95.851 -57.945
  133   2HG2  THR  19          HG22      THR  19  29.029  95.895 -58.262
  134   3HG2  THR  19          HG21      THR  19  29.681  96.675 -56.821
  135    H    PHE  20           HN       PHE  20  31.095  95.781 -55.098
  136    HA   PHE  20           HA       PHE  20  32.811  97.218 -54.396
  137   1HB   PHE  20           HB2      PHE  20  34.748  95.416 -55.869
  138   2HB   PHE  20           HB1      PHE  20  35.109  96.532 -54.562
  139    HD1  PHE  20           HD2      PHE  20  32.270  95.452 -53.225
  140    HD2  PHE  20           HD1      PHE  20  36.017  93.764 -54.459
  141    HE1  PHE  20           HE2      PHE  20  32.001  93.623 -51.574
  142    HE2  PHE  20           HE1      PHE  20  35.740  91.940 -52.810
  143    HZ   PHE  20           HZ       PHE  20  33.731  91.867 -51.368
  144    H    THR  21           HN       THR  21  34.714  98.491 -55.346
  145    HA   THR  21           HA       THR  21  34.235  99.081 -58.228
  146    HB   THR  21           HB       THR  21  35.311 101.254 -56.492
  147    HG1  THR  21           HG1      THR  21  32.526 100.728 -56.705
  148   1HG2  THR  21          HG22      THR  21  33.376 101.049 -58.807
  149   2HG2  THR  21          HG21      THR  21  34.001 102.554 -58.137
  150   3HG2  THR  21          HG23      THR  21  35.095 101.420 -58.930
  151    H    VAL  22           HN       VAL  22  35.869  98.163 -59.138
  152    HA   VAL  22           HA       VAL  22  38.483  97.856 -57.887
  153    HB   VAL  22           HB       VAL  22  37.262  96.914 -60.483
  154   1HG1  VAL  22          HG13      VAL  22  39.987  97.167 -59.915
  155   2HG1  VAL  22          HG12      VAL  22  39.619  95.474 -59.608
  156   3HG1  VAL  22          HG11      VAL  22  39.266  96.184 -61.184
  157   1HG2  VAL  22          HG22      VAL  22  36.532  96.020 -58.165
  158   2HG2  VAL  22          HG21      VAL  22  36.988  94.840 -59.394
  159   3HG2  VAL  22          HG23      VAL  22  38.124  95.264 -58.114
  160    H    LYS  23           HN       LYS  23  40.176  99.097 -58.237
  161    HA   LYS  23           HA       LYS  23  40.300 100.954 -60.596
  162   1HB   LYS  23           HB2      LYS  23  40.429 101.828 -58.127
  163   2HB   LYS  23           HB1      LYS  23  42.035 101.079 -58.122
  164   1HG   LYS  23           HG2      LYS  23  42.079 102.480 -60.485
  165   2HG   LYS  23           HG1      LYS  23  41.115 103.543 -59.458
  166   1HD   LYS  23           HD2      LYS  23  43.038 104.267 -58.537
  167   2HD   LYS  23           HD1      LYS  23  43.205 102.674 -57.804
  168   1HE   LYS  23           HE2      LYS  23  44.084 103.103 -60.648
  169   2HE   LYS  23           HE1      LYS  23  45.137 103.595 -59.321
  170   1HZ   LYS  23           HZ3      LYS  23  43.977 100.864 -59.661
  171   2HZ   LYS  23           HZ2      LYS  23  45.577 101.313 -60.050
  172   3HZ   LYS  23           HZ1      LYS  23  45.047 101.356 -58.424
  173    H    VAL  24           HN       VAL  24  40.934  98.815 -61.661
  174    HA   VAL  24           HA       VAL  24  43.869  98.390 -61.331
  175    HB   VAL  24           HB       VAL  24  43.685  96.099 -61.002
  176   1HG1  VAL  24          HG13      VAL  24  41.477  97.542 -59.543
  177   2HG1  VAL  24          HG12      VAL  24  41.801  95.839 -59.245
  178   3HG1  VAL  24          HG11      VAL  24  43.048  97.043 -58.931
  179   1HG2  VAL  24          HG23      VAL  24  41.062  96.466 -62.340
  180   2HG2  VAL  24          HG22      VAL  24  42.257  95.184 -62.537
  181   3HG2  VAL  24          HG21      VAL  24  41.167  95.167 -61.152
  182    H    GLY  25           HN       GLY  25  44.317  96.416 -63.079
  183   1HA   GLY  25           HA2      GLY  25  44.565  95.985 -65.409
  184   2HA   GLY  25           HA1      GLY  25  42.886  96.497 -65.563
  185    H    ASP  26           HN       ASP  26  42.456  98.485 -66.336
  186    HA   ASP  26           HA       ASP  26  44.677 100.427 -66.554
  187   1HB   ASP  26           HB2      ASP  26  42.812  99.758 -68.856
  188   2HB   ASP  26           HB1      ASP  26  44.173 100.878 -68.897
  189    H    LYS  27           HN       LYS  27  41.821  99.929 -65.221
  190    HA   LYS  27           HA       LYS  27  41.023 102.763 -65.362
  191   1HB   LYS  27           HB2      LYS  27  39.197 100.510 -66.268
  192   2HB   LYS  27           HB1      LYS  27  38.658 102.159 -65.960
  193   1HG   LYS  27           HG2      LYS  27  40.824 101.441 -67.963
  194   2HG   LYS  27           HG1      LYS  27  39.130 101.676 -68.388
  195   1HD   LYS  27           HD2      LYS  27  39.179 103.969 -67.640
  196   2HD   LYS  27           HD1      LYS  27  40.785 103.761 -66.945
  197   1HE   LYS  27           HE2      LYS  27  40.435 103.156 -69.852
  198   2HE   LYS  27           HE1      LYS  27  40.462 104.850 -69.354
  199   1HZ   LYS  27           HZ1      LYS  27  42.511 103.074 -68.220
  200   2HZ   LYS  27           HZ3      LYS  27  42.671 103.508 -69.867
  201   3HZ   LYS  27           HZ2      LYS  27  42.614 104.722 -68.677
  202    H    GLU  28           HN       GLU  28  38.793 102.909 -64.049
  203    HA   GLU  28           HA       GLU  28  38.830 101.085 -61.709
  204   1HB   GLU  28           HB2      GLU  28  40.186 103.044 -61.079
  205   2HB   GLU  28           HB1      GLU  28  38.868 104.114 -61.554
  206   1HG   GLU  28           HG2      GLU  28  37.402 102.931 -59.864
  207   2HG   GLU  28           HG1      GLU  28  38.837 102.076 -59.299
  208    H    LEU  29           HN       LEU  29  36.723 100.456 -61.247
  209    HA   LEU  29           HA       LEU  29  34.502 102.271 -61.347
  210   1HB   LEU  29           HB2      LEU  29  33.587 102.011 -63.420
  211   2HB   LEU  29           HB1      LEU  29  35.257 101.703 -63.855
  212    HG   LEU  29           HG       LEU  29  33.122  99.620 -63.306
  213   1HD1  LEU  29          HD12      LEU  29  34.591 100.605 -65.755
  214   2HD1  LEU  29          HD11      LEU  29  33.786  99.038 -65.721
  215   3HD1  LEU  29          HD13      LEU  29  32.849 100.515 -65.495
  216   1HD2  LEU  29          HD23      LEU  29  36.102  99.438 -63.589
  217   2HD2  LEU  29          HD22      LEU  29  35.017  98.496 -62.566
  218   3HD2  LEU  29          HD21      LEU  29  35.106  98.164 -64.294
  219    H    PHE  30           HN       PHE  30  32.342 101.055 -61.235
  220    HA   PHE  30           HA       PHE  30  32.488  99.042 -59.186
  221   1HB   PHE  30           HB2      PHE  30  30.357 100.528 -60.617
  222   2HB   PHE  30           HB1      PHE  30  29.893  98.922 -60.060
  223    HD1  PHE  30           HD2      PHE  30  30.153  98.327 -57.623
  224    HD2  PHE  30           HD1      PHE  30  30.678 102.334 -59.078
  225    HE1  PHE  30           HE2      PHE  30  29.899  99.197 -55.312
  226    HE2  PHE  30           HE1      PHE  30  30.425 103.205 -56.770
  227    HZ   PHE  30           HZ       PHE  30  30.036 101.636 -54.885
  228    H    THR  31           HN       THR  31  31.734  96.857 -59.350
  229    HA   THR  31           HA       THR  31  31.581  95.719 -62.129
  230    HB   THR  31           HB       THR  31  33.810  95.292 -62.016
  231    HG1  THR  31           HG1      THR  31  33.199  93.506 -59.903
  232   1HG2  THR  31          HG22      THR  31  33.501  95.779 -59.044
  233   2HG2  THR  31          HG21      THR  31  35.046  95.379 -59.792
  234   3HG2  THR  31          HG23      THR  31  34.204  96.861 -60.247
  235    H    ASN  32           HN       ASN  32  29.898  94.284 -62.152
  236    HA   ASN  32           HA       ASN  32  29.514  92.541 -59.767
  237   1HB   ASN  32           HB2      ASN  32  26.994  92.889 -60.041
  238   2HB   ASN  32           HB1      ASN  32  27.896  94.232 -59.341
  239   1HD2  ASN  32          HD22      ASN  32  27.304  96.400 -62.105
  240   2HD2  ASN  32          HD21      ASN  32  28.248  96.149 -60.717
  241    H    ARG  33           HN       ARG  33  28.918  90.477 -60.239
  242    HA   ARG  33           HA       ARG  33  27.652  89.699 -62.748
  243   1HB   ARG  33           HB2      ARG  33  30.167  89.991 -63.288
  244   2HB   ARG  33           HB1      ARG  33  30.419  88.562 -62.289
  245   1HG   ARG  33           HG2      ARG  33  28.427  88.597 -64.573
  246   2HG   ARG  33           HG1      ARG  33  30.117  88.154 -64.809
  247   1HD   ARG  33           HD2      ARG  33  29.677  86.507 -62.801
  248   2HD   ARG  33           HD1      ARG  33  27.985  86.712 -63.250
  249    HE   ARG  33           HE       ARG  33  29.535  86.103 -65.608
  250   1HH1  ARG  33          HH21      ARG  33  28.095  84.707 -62.771
  251   2HH1  ARG  33          HH22      ARG  33  28.157  83.084 -63.395
  252   1HH2  ARG  33          HH11      ARG  33  29.626  84.013 -66.373
  253   2HH2  ARG  33          HH12      ARG  33  28.984  82.705 -65.426
  254    H    TRP  34           HN       TRP  34  29.736  88.373 -60.135
  255    HA   TRP  34           HA       TRP  34  27.680  86.959 -58.811
  256   1HB   TRP  34           HB2      TRP  34  27.473  84.911 -59.787
  257   2HB   TRP  34           HB1      TRP  34  27.946  85.806 -61.219
  258    HD1  TRP  34           HD1      TRP  34  28.656  82.731 -59.613
  259    HE1  TRP  34           HE1      TRP  34  30.983  81.807 -60.195
  260    HE3  TRP  34           HE3      TRP  34  30.834  86.924 -61.564
  261    HZ2  TRP  34           HZ2      TRP  34  33.438  82.706 -61.320
  262    HZ3  TRP  34           HZ3      TRP  34  33.165  86.857 -62.386
  263    HH2  TRP  34           HH2      TRP  34  34.473  84.756 -62.265
  264    H    ASN  35           HN       ASN  35  31.110  87.204 -59.538
  265    HA   ASN  35           HA       ASN  35  31.915  87.088 -56.827
  266   1HB   ASN  35           HB2      ASN  35  31.218  84.613 -57.335
  267   2HB   ASN  35           HB1      ASN  35  32.742  84.547 -58.219
  268   1HD2  ASN  35          HD22      ASN  35  32.777  84.684 -54.148
  269   2HD2  ASN  35          HD21      ASN  35  31.321  84.860 -55.000
  270    H    LEU  36           HN       LEU  36  32.820  88.940 -58.240
  271    HA   LEU  36           HA       LEU  36  35.068  88.266 -59.994
  272   1HB   LEU  36           HB2      LEU  36  33.599  90.694 -59.218
  273   2HB   LEU  36           HB1      LEU  36  35.329  90.956 -59.438
  274    HG   LEU  36           HG       LEU  36  34.516  89.270 -61.563
  275   1HD1  LEU  36          HD12      LEU  36  32.541  91.441 -60.899
  276   2HD1  LEU  36          HD11      LEU  36  32.844  91.009 -62.581
  277   3HD1  LEU  36          HD13      LEU  36  32.235  89.796 -61.455
  278   1HD2  LEU  36          HD22      LEU  36  36.192  91.303 -61.299
  279   2HD2  LEU  36          HD21      LEU  36  35.491  90.927 -62.872
  280   3HD2  LEU  36          HD23      LEU  36  34.820  92.235 -61.898
  281    H    GLN  37           HN       GLN  37  34.659  88.782 -56.591
  282    HA   GLN  37           HA       GLN  37  37.151  89.809 -55.762
  283   1HB   GLN  37           HB2      GLN  37  35.122  87.965 -54.592
  284   2HB   GLN  37           HB1      GLN  37  36.714  87.973 -53.833
  285   1HG   GLN  37           HG2      GLN  37  36.508  90.529 -53.804
  286   2HG   GLN  37           HG1      GLN  37  34.800  90.282 -54.179
  287   1HE2  GLN  37          HE22      GLN  37  33.994  89.104 -50.924
  288   2HE2  GLN  37          HE21      GLN  37  33.445  89.286 -52.520
  289    H    SER  38           HN       SER  38  36.259  86.405 -56.346
  290    HA   SER  38           HA       SER  38  38.739  85.180 -55.801
  291   1HB   SER  38           HB2      SER  38  36.465  84.108 -56.400
  292   2HB   SER  38           HB1      SER  38  36.955  84.315 -58.082
  293    HG   SER  38           HG       SER  38  37.829  82.408 -57.646
  294    H    LEU  39           HN       LEU  39  37.634  86.787 -58.773
  295    HA   LEU  39           HA       LEU  39  39.956  86.068 -60.355
  296   1HB   LEU  39           HB2      LEU  39  37.717  88.061 -60.640
  297   2HB   LEU  39           HB1      LEU  39  39.104  88.139 -61.726
  298    HG   LEU  39           HG       LEU  39  38.735  85.689 -62.232
  299   1HD1  LEU  39          HD13      LEU  39  36.259  86.249 -60.584
  300   2HD1  LEU  39          HD12      LEU  39  36.364  84.906 -61.721
  301   3HD1  LEU  39          HD11      LEU  39  37.457  84.977 -60.340
  302   1HD2  LEU  39          HD21      LEU  39  36.684  87.808 -62.865
  303   2HD2  LEU  39          HD23      LEU  39  37.964  87.172 -63.898
  304   3HD2  LEU  39          HD22      LEU  39  36.547  86.185 -63.541
  305    H    LEU  40           HN       LEU  40  39.037  89.013 -58.529
  306    HA   LEU  40           HA       LEU  40  41.424  90.491 -59.156
  307   1HB   LEU  40           HB2      LEU  40  39.590  90.615 -56.743
  308   2HB   LEU  40           HB1      LEU  40  40.864  91.790 -57.075
  309    HG   LEU  40           HG       LEU  40  38.805  91.165 -59.179
  310   1HD1  LEU  40          HD12      LEU  40  38.073  92.046 -56.661
  311   2HD1  LEU  40          HD11      LEU  40  38.290  93.551 -57.552
  312   3HD1  LEU  40          HD13      LEU  40  37.163  92.333 -58.144
  313   1HD2  LEU  40          HD21      LEU  40  40.924  92.524 -59.592
  314   2HD2  LEU  40          HD23      LEU  40  39.412  93.340 -59.994
  315   3HD2  LEU  40          HD22      LEU  40  40.257  93.735 -58.497
  316    H    LEU  41           HN       LEU  41  40.624  88.216 -56.559
  317    HA   LEU  41           HA       LEU  41  43.116  88.507 -55.120
  318   1HB   LEU  41           HB2      LEU  41  40.726  86.771 -55.018
  319   2HB   LEU  41           HB1      LEU  41  42.210  86.005 -54.455
  320    HG   LEU  41           HG       LEU  41  42.590  87.789 -52.857
  321   1HD1  LEU  41          HD11      LEU  41  40.218  89.049 -54.243
  322   2HD1  LEU  41          HD13      LEU  41  40.724  89.543 -52.627
  323   3HD1  LEU  41          HD12      LEU  41  41.824  89.736 -53.992
  324   1HD2  LEU  41          HD23      LEU  41  39.758  86.720 -52.889
  325   2HD2  LEU  41          HD22      LEU  41  41.148  86.047 -52.039
  326   3HD2  LEU  41          HD21      LEU  41  40.447  87.576 -51.510
  327    H    SER  42           HN       SER  42  41.945  85.656 -56.968
  328    HA   SER  42           HA       SER  42  44.338  84.239 -57.167
  329   1HB   SER  42           HB2      SER  42  43.451  83.386 -59.383
  330   2HB   SER  42           HB1      SER  42  42.320  83.264 -58.036
  331    HG   SER  42           HG       SER  42  41.185  84.966 -58.815
  332    H    ALA  43           HN       ALA  43  43.339  87.030 -59.119
  333    HA   ALA  43           HA       ALA  43  45.442  86.935 -61.048
  334   1HB   ALA  43           HB1      ALA  43  43.396  88.819 -60.214
  335   2HB   ALA  43           HB3      ALA  43  44.913  89.665 -60.508
  336   3HB   ALA  43           HB2      ALA  43  44.195  88.677 -61.776
  337    H    GLN  44           HN       GLN  44  45.310  89.217 -58.296
  338    HA   GLN  44           HA       GLN  44  48.031  89.934 -58.359
  339   1HB   GLN  44           HB2      GLN  44  45.753  90.447 -56.685
  340   2HB   GLN  44           HB1      GLN  44  47.139  90.078 -55.662
  341   1HG   GLN  44           HG2      GLN  44  47.588  91.926 -57.965
  342   2HG   GLN  44           HG1      GLN  44  46.694  92.552 -56.584
  343   1HE2  GLN  44          HE22      GLN  44  50.567  91.335 -55.907
  344   2HE2  GLN  44          HE21      GLN  44  49.660  90.525 -57.090
  345    H    ILE  45           HN       ILE  45  46.396  87.284 -56.685
  346    HA   ILE  45           HA       ILE  45  48.576  86.479 -55.042
  347    HB   ILE  45           HB       ILE  45  46.356  84.869 -56.307
  348   1HG1  ILE  45          HG12      ILE  45  46.743  85.920 -53.480
  349   2HG1  ILE  45          HG11      ILE  45  45.675  86.636 -54.684
  350   1HG2  ILE  45          HG23      ILE  45  48.308  84.094 -54.106
  351   2HG2  ILE  45          HG22      ILE  45  46.916  83.136 -54.611
  352   3HG2  ILE  45          HG21      ILE  45  48.254  83.404 -55.728
  353   1HD1  ILE  45          HD13      ILE  45  45.249  83.751 -54.328
  354   2HD1  ILE  45          HD12      ILE  45  44.936  84.690 -52.869
  355   3HD1  ILE  45          HD11      ILE  45  44.073  85.065 -54.360
  356    H    THR  46           HN       THR  46  47.527  85.228 -58.206
  357    HA   THR  46           HA       THR  46  49.979  83.676 -58.589
  358    HB   THR  46           HB       THR  46  49.024  83.199 -60.829
  359    HG1  THR  46           HG1      THR  46  46.829  84.813 -60.057
  360   1HG2  THR  46          HG23      THR  46  48.282  81.880 -58.881
  361   2HG2  THR  46          HG22      THR  46  46.985  83.041 -58.596
  362   3HG2  THR  46          HG21      THR  46  46.985  82.061 -60.063
  363    H    GLY  47           HN       GLY  47  48.651  86.738 -59.736
  364   1HA   GLY  47           HA2      GLY  47  51.336  87.707 -60.413
  365   2HA   GLY  47           HA1      GLY  47  50.258  87.529 -61.799
  366    H    MET  48           HN       MET  48  48.552  88.924 -62.047
  367    HA   MET  48           HA       MET  48  47.004  90.492 -60.644
  368   1HB   MET  48           HB2      MET  48  48.066  92.569 -59.899
  369   2HB   MET  48           HB1      MET  48  48.786  91.192 -59.084
  370   1HG   MET  48           HG2      MET  48  50.543  91.268 -61.020
  371   2HG   MET  48           HG1      MET  48  49.949  92.911 -61.266
  372   1HE   MET  48           HE3      MET  48  49.435  94.378 -59.631
  373   2HE   MET  48           HE2      MET  48  49.720  94.218 -57.901
  374   3HE   MET  48           HE1      MET  48  50.896  95.062 -58.906
  375    H    THR  49           HN       THR  49  46.780  89.971 -63.184
  376    HA   THR  49           HA       THR  49  46.345  92.493 -64.425
  377    HB   THR  49           HB       THR  49  48.707  92.750 -64.690
  378    HG1  THR  49           HG1      THR  49  47.745  91.699 -67.147
  379   1HG2  THR  49          HG23      THR  49  48.612  89.882 -65.632
  380   2HG2  THR  49          HG22      THR  49  49.958  90.939 -66.058
  381   3HG2  THR  49          HG21      THR  49  49.611  90.592 -64.364
  382    H    VAL  50           HN       VAL  50  44.490  90.920 -64.328
  383    HA   VAL  50           HA       VAL  50  44.382  88.793 -66.321
  384    HB   VAL  50           HB       VAL  50  42.138  88.445 -65.565
  385   1HG1  VAL  50          HG12      VAL  50  44.163  88.327 -63.881
  386   2HG1  VAL  50          HG11      VAL  50  43.253  89.604 -63.074
  387   3HG1  VAL  50          HG13      VAL  50  42.507  88.029 -63.350
  388   1HG2  VAL  50          HG21      VAL  50  41.794  91.113 -65.673
  389   2HG2  VAL  50          HG23      VAL  50  40.715  90.048 -64.776
  390   3HG2  VAL  50          HG22      VAL  50  41.995  90.917 -63.934
  391    H    THR  51           HN       THR  51  41.654  89.496 -67.246
  392    HA   THR  51           HA       THR  51  42.260  91.847 -68.913
  393    HB   THR  51           HB       THR  51  41.013  89.299 -69.973
  394    HG1  THR  51           HG1      THR  51  43.397  89.412 -69.540
  395   1HG2  THR  51          HG21      THR  51  41.788  91.890 -71.330
  396   2HG2  THR  51          HG23      THR  51  41.240  90.439 -72.167
  397   3HG2  THR  51          HG22      THR  51  40.147  91.294 -71.079
  398    H    ILE  52           HN       ILE  52  40.745  93.348 -68.402
  399    HA   ILE  52           HA       ILE  52  38.043  92.421 -67.518
  400    HB   ILE  52           HB       ILE  52  39.180  95.237 -67.464
  401   1HG1  ILE  52          HG12      ILE  52  40.580  93.817 -66.084
  402   2HG1  ILE  52          HG11      ILE  52  39.527  94.751 -65.018
  403   1HG2  ILE  52          HG23      ILE  52  36.593  94.584 -67.270
  404   2HG2  ILE  52          HG22      ILE  52  37.064  94.213 -65.612
  405   3HG2  ILE  52          HG21      ILE  52  37.301  95.839 -66.252
  406   1HD1  ILE  52          HD12      ILE  52  37.938  92.754 -65.083
  407   2HD1  ILE  52          HD11      ILE  52  39.258  91.855 -65.833
  408   3HD1  ILE  52          HD13      ILE  52  39.450  92.509 -64.208
  409    H    LYS  53           HN       LYS  53  36.264  92.627 -68.848
  410    HA   LYS  53           HA       LYS  53  36.203  94.677 -70.953
  411   1HB   LYS  53           HB2      LYS  53  35.906  92.911 -72.739
  412   2HB   LYS  53           HB1      LYS  53  37.540  93.091 -72.110
  413   1HG   LYS  53           HG2      LYS  53  37.467  91.073 -70.975
  414   2HG   LYS  53           HG1      LYS  53  35.710  91.120 -70.810
  415   1HD   LYS  53           HD2      LYS  53  35.350  90.198 -72.871
  416   2HD   LYS  53           HD1      LYS  53  36.738  91.010 -73.585
  417   1HE   LYS  53           HE2      LYS  53  38.262  89.424 -72.515
  418   2HE   LYS  53           HE1      LYS  53  36.898  88.626 -71.722
  419   1HZ   LYS  53           HZ2      LYS  53  37.141  88.950 -74.679
  420   2HZ   LYS  53           HZ1      LYS  53  37.644  87.544 -73.826
  421   3HZ   LYS  53           HZ3      LYS  53  35.984  87.986 -73.811
  422    H    THR  54           HN       THR  54  34.308  94.225 -72.509
  423    HA   THR  54           HA       THR  54  32.048  93.954 -72.915
  424    HB   THR  54           HB       THR  54  30.951  92.014 -72.166
  425    HG1  THR  54           HG1      THR  54  32.710  92.139 -69.935
  426   1HG2  THR  54          HG21      THR  54  33.109  91.656 -73.439
  427   2HG2  THR  54          HG23      THR  54  33.875  91.306 -71.891
  428   3HG2  THR  54          HG22      THR  54  32.571  90.278 -72.481
  429    H    ASN  55           HN       ASN  55  29.899  94.325 -72.040
  430    HA   ASN  55           HA       ASN  55  28.405  95.627 -70.822
  431   1HB   ASN  55           HB2      ASN  55  29.126  93.837 -69.117
  432   2HB   ASN  55           HB1      ASN  55  30.134  95.097 -68.407
  433   1HD2  ASN  55          HD22      ASN  55  26.050  95.566 -68.230
  434   2HD2  ASN  55          HD21      ASN  55  26.709  94.632 -69.483
  435    H    ALA  56           HN       ALA  56  30.063  97.230 -72.192
  436    HA   ALA  56           HA       ALA  56  30.651  99.516 -72.245
  437   1HB   ALA  56           HB3      ALA  56  28.904  99.571 -70.288
  438   2HB   ALA  56           HB2      ALA  56  30.328  99.707 -69.258
  439   3HB   ALA  56           HB1      ALA  56  30.011 100.929 -70.490
  440    H    CYS  57           HN       CYS  57  31.841  98.111 -69.169
  441    HA   CYS  57           HA       CYS  57  34.038  97.860 -68.360
  442   1HB   CYS  57           HB2      CYS  57  34.593  96.977 -70.586
  443   2HB   CYS  57           HB1      CYS  57  34.803  98.613 -71.199
  444    H    HIS  58           HN       HIS  58  32.485 100.446 -68.437
  445    HA   HIS  58           HA       HIS  58  34.643 102.174 -67.450
  446   1HB   HIS  58           HB2      HIS  58  33.462 102.531 -70.097
  447   2HB   HIS  58           HB1      HIS  58  33.173 103.940 -69.075
  448    HD1  HIS  58           HD1      HIS  58  35.164 105.424 -68.521
  449    HD2  HIS  58           HD2      HIS  58  36.277 101.928 -70.495
  450    HE1  HIS  58           HE1      HIS  58  37.599 105.708 -69.163
  451    H    ASN  59           HN       ASN  59  33.802 102.837 -65.510
  452    HA   ASN  59           HA       ASN  59  32.250 103.514 -63.881
  453   1HB   ASN  59           HB2      ASN  59  31.988 105.386 -65.599
  454   2HB   ASN  59           HB1      ASN  59  30.581 104.512 -66.205
  455   1HD2  ASN  59          HD22      ASN  59  28.513 105.812 -63.688
  456   2HD2  ASN  59          HD21      ASN  59  28.653 105.149 -65.243
  457    H    GLY  60           HN       GLY  60  31.807 101.224 -63.483
  458   1HA   GLY  60           HA2      GLY  60  30.232  99.509 -63.040
  459   2HA   GLY  60           HA1      GLY  60  28.995 100.508 -63.818
  460    H    GLY  61           HN       GLY  61  31.966  98.701 -64.681
  461   1HA   GLY  61           HA2      GLY  61  30.546  97.718 -67.115
  462   2HA   GLY  61           HA1      GLY  61  32.152  98.407 -67.258
  463    H    GLY  62           HN       GLY  62  32.316  96.068 -68.234
  464   1HA   GLY  62           HA2      GLY  62  33.386  93.986 -68.051
  465   2HA   GLY  62           HA1      GLY  62  33.933  94.490 -66.452
  466    H    PHE  63           HN       PHE  63  31.407  92.795 -68.214
  467    HA   PHE  63           HA       PHE  63  30.015  92.222 -65.657
  468   1HB   PHE  63           HB2      PHE  63  28.643  92.929 -67.577
  469   2HB   PHE  63           HB1      PHE  63  29.211  91.545 -68.507
  470    HD1  PHE  63           HD2      PHE  63  27.881  92.141 -65.035
  471    HD2  PHE  63           HD1      PHE  63  27.695  89.783 -68.622
  472    HE1  PHE  63           HE2      PHE  63  26.109  90.737 -64.021
  473    HE2  PHE  63           HE1      PHE  63  25.921  88.377 -67.603
  474    HZ   PHE  63           HZ       PHE  63  25.131  88.855 -65.302
  475    H    SER  64           HN       SER  64  30.324  89.955 -68.430
  476    HA   SER  64           HA       SER  64  31.490  88.014 -66.485
  477   1HB   SER  64           HB2      SER  64  29.014  87.746 -67.299
  478   2HB   SER  64           HB1      SER  64  29.764  87.099 -68.755
  479    HG   SER  64           HG       SER  64  30.615  85.449 -67.606
  480    H    GLU  65           HN       GLU  65  33.193  89.549 -68.273
  481    HA   GLU  65           HA       GLU  65  34.318  87.213 -69.722
  482   1HB   GLU  65           HB2      GLU  65  33.542  89.859 -70.884
  483   2HB   GLU  65           HB1      GLU  65  34.937  89.001 -71.545
  484   1HG   GLU  65           HG2      GLU  65  32.548  87.318 -71.085
  485   2HG   GLU  65           HG1      GLU  65  32.352  88.544 -72.335
  486    H    VAL  66           HN       VAL  66  36.104  86.968 -68.446
  487    HA   VAL  66           HA       VAL  66  38.026  89.222 -68.405
  488    HB   VAL  66           HB       VAL  66  36.968  87.857 -65.922
  489   1HG1  VAL  66          HG13      VAL  66  39.471  89.505 -66.316
  490   2HG1  VAL  66          HG12      VAL  66  38.718  89.272 -64.739
  491   3HG1  VAL  66          HG11      VAL  66  39.346  87.886 -65.629
  492   1HG2  VAL  66          HG21      VAL  66  37.077  90.703 -66.932
  493   2HG2  VAL  66          HG23      VAL  66  35.654  89.769 -66.469
  494   3HG2  VAL  66          HG22      VAL  66  36.784  90.325 -65.234
  495    H    ILE  67           HN       ILE  67  40.129  88.522 -68.628
  496    HA   ILE  67           HA       ILE  67  40.506  85.561 -68.664
  497    HB   ILE  67           HB       ILE  67  42.018  87.767 -70.056
  498   1HG1  ILE  67          HG12      ILE  67  41.183  85.454 -71.570
  499   2HG1  ILE  67          HG11      ILE  67  39.822  86.132 -70.681
  500   1HG2  ILE  67          HG21      ILE  67  43.383  85.750 -69.006
  501   2HG2  ILE  67          HG23      ILE  67  42.673  84.851 -70.347
  502   3HG2  ILE  67          HG22      ILE  67  43.692  86.254 -70.664
  503   1HD1  ILE  67          HD12      ILE  67  41.674  87.889 -72.285
  504   2HD1  ILE  67          HD11      ILE  67  40.270  87.114 -73.018
  505   3HD1  ILE  67          HD13      ILE  67  40.055  88.260 -71.696
  506    H    PHE  68           HN       PHE  68  41.591  84.652 -67.035
  507    HA   PHE  68           HA       PHE  68  42.796  86.227 -64.951
  508   1HB   PHE  68           HB2      PHE  68  43.255  83.275 -65.355
  509   2HB   PHE  68           HB1      PHE  68  43.290  84.183 -63.845
  510    HD1  PHE  68           HD1      PHE  68  40.770  85.892 -64.947
  511    HD2  PHE  68           HD2      PHE  68  41.605  81.742 -64.261
  512    HE1  PHE  68           HE1      PHE  68  38.365  85.466 -64.681
  513    HE2  PHE  68           HE2      PHE  68  39.193  81.302 -63.989
  514    HZ   PHE  68           HZ       PHE  68  37.555  83.160 -64.187
  515    H    ARG  69           HN       ARG  69  44.840  86.478 -64.315
  516    HA   ARG  69           HA       ARG  69  47.252  85.476 -64.829
  517   1HB   ARG  69           HB2      ARG  69  46.282  86.666 -67.345
  518   2HB   ARG  69           HB1      ARG  69  47.881  87.223 -66.864
  519   1HG   ARG  69           HG2      ARG  69  46.974  84.415 -67.491
  520   2HG   ARG  69           HG1      ARG  69  48.355  85.291 -68.134
  521   1HD   ARG  69           HD2      ARG  69  48.056  83.993 -65.422
  522   2HD   ARG  69           HD1      ARG  69  49.288  83.704 -66.643
  523    HE   ARG  69           HE       ARG  69  49.495  85.637 -64.573
  524   1HH1  ARG  69          HH11      ARG  69  51.241  84.570 -67.087
  525   2HH1  ARG  69          HH12      ARG  69  51.858  86.118 -67.581
  526   1HH2  ARG  69          HH21      ARG  69  49.641  87.901 -65.575
  527   2HH2  ARG  69          HH22      ARG  69  50.947  88.023 -66.720
   
  No H/Q in entry =         527
  Start of MODEL    2
    1   1H    THR   1           HT1      THR   1  48.577  56.172 -72.633
    2   2H    THR   1           HT3      THR   1  49.076  57.057 -71.272
    3   3H    THR   1           HT2      THR   1  48.731  55.400 -71.125
    4    HA   THR   1           HA       THR   1  46.432  55.726 -71.396
    5    HB   THR   1           HB       THR   1  46.251  57.960 -69.800
    6    HG1  THR   1           HG1      THR   1  48.328  58.483 -69.627
    7   1HG2  THR   1          HG21      THR   1  47.052  55.142 -69.026
    8   2HG2  THR   1          HG23      THR   1  46.417  56.349 -67.908
    9   3HG2  THR   1          HG22      THR   1  45.407  55.749 -69.223
   10    HA   PRO   2           HA       PRO   2  44.962  58.886 -74.090
   11   1HB   PRO   2           HB2      PRO   2  42.472  59.411 -73.033
   12   2HB   PRO   2           HB1      PRO   2  42.864  57.931 -73.928
   13   1HG   PRO   2           HG2      PRO   2  42.480  58.304 -70.991
   14   2HG   PRO   2           HG1      PRO   2  42.241  56.852 -71.979
   15   1HD   PRO   2           HD2      PRO   2  44.469  57.382 -70.319
   16   2HD   PRO   2           HD1      PRO   2  44.364  56.107 -71.555
   17    H    ASP   3           HN       ASP   3  46.777  60.133 -72.509
   18    HA   ASP   3           HA       ASP   3  45.494  62.347 -71.052
   19   1HB   ASP   3           HB2      ASP   3  48.452  62.065 -71.556
   20   2HB   ASP   3           HB1      ASP   3  47.641  62.887 -70.226
   21    H    CYS   4           HN       CYS   4  47.790  64.236 -71.881
   22    HA   CYS   4           HA       CYS   4  47.494  64.668 -74.720
   23   1HB   CYS   4           HB2      CYS   4  45.230  65.265 -74.198
   24   2HB   CYS   4           HB1      CYS   4  45.762  66.321 -72.894
   25    H    VAL   5           HN       VAL   5  47.373  67.387 -72.417
   26    HA   VAL   5           HA       VAL   5  50.278  67.880 -72.981
   27    HB   VAL   5           HB       VAL   5  49.762  70.236 -73.445
   28   1HG1  VAL   5          HG13      VAL   5  49.148  68.069 -75.101
   29   2HG1  VAL   5          HG12      VAL   5  47.761  69.148 -75.247
   30   3HG1  VAL   5          HG11      VAL   5  49.382  69.742 -75.604
   31   1HG2  VAL   5          HG21      VAL   5  47.025  69.341 -72.609
   32   2HG2  VAL   5          HG23      VAL   5  47.878  70.834 -72.219
   33   3HG2  VAL   5          HG22      VAL   5  47.157  70.620 -73.814
   34    H    THR   6           HN       THR   6  50.465  70.365 -71.719
   35    HA   THR   6           HA       THR   6  50.170  69.627 -68.871
   36    HB   THR   6           HB       THR   6  51.802  71.451 -68.529
   37    HG1  THR   6           HG1      THR   6  51.745  71.579 -71.374
   38   1HG2  THR   6          HG22      THR   6  52.319  69.135 -70.319
   39   2HG2  THR   6          HG21      THR   6  53.635  70.262 -69.990
   40   3HG2  THR   6          HG23      THR   6  52.854  69.406 -68.660
   41    H    GLY   7           HN       GLY   7  49.965  71.925 -67.528
   42   1HA   GLY   7           HA2      GLY   7  47.838  73.542 -68.828
   43   2HA   GLY   7           HA1      GLY   7  47.433  72.719 -67.335
   44    H    LYS   8           HN       LYS   8  49.885  74.956 -68.625
   45    HA   LYS   8           HA       LYS   8  50.455  76.150 -66.042
   46   1HB   LYS   8           HB2      LYS   8  51.033  77.269 -68.812
   47   2HB   LYS   8           HB1      LYS   8  51.757  77.807 -67.301
   48   1HG   LYS   8           HG2      LYS   8  53.415  76.404 -68.092
   49   2HG   LYS   8           HG1      LYS   8  52.478  75.287 -67.112
   50   1HD   LYS   8           HD2      LYS   8  51.696  74.138 -68.903
   51   2HD   LYS   8           HD1      LYS   8  51.545  75.593 -69.887
   52   1HE   LYS   8           HE2      LYS   8  53.996  75.623 -70.215
   53   2HE   LYS   8           HE1      LYS   8  54.133  74.148 -69.248
   54   1HZ   LYS   8           HZ2      LYS   8  52.667  73.016 -70.811
   55   2HZ   LYS   8           HZ1      LYS   8  52.565  74.441 -71.768
   56   3HZ   LYS   8           HZ3      LYS   8  54.055  73.623 -71.610
   57    H    VAL   9           HN       VAL   9  50.126  79.002 -67.266
   58    HA   VAL   9           HA       VAL   9  47.218  79.177 -67.678
   59    HB   VAL   9           HB       VAL   9  48.486  80.372 -65.234
   60   1HG1  VAL   9          HG11      VAL   9  46.463  81.463 -66.651
   61   2HG1  VAL   9          HG13      VAL   9  45.546  80.351 -65.637
   62   3HG1  VAL   9          HG12      VAL   9  46.573  81.579 -64.895
   63   1HG2  VAL   9          HG21      VAL   9  46.587  78.065 -65.675
   64   2HG2  VAL   9          HG23      VAL   9  48.162  78.027 -64.885
   65   3HG2  VAL   9          HG22      VAL   9  46.802  78.828 -64.101
   66    H    GLU  10           HN       GLU  10  48.594  80.177 -69.667
   67    HA   GLU  10           HA       GLU  10  49.241  82.969 -68.897
   68   1HB   GLU  10           HB2      GLU  10  50.226  81.130 -71.011
   69   2HB   GLU  10           HB1      GLU  10  50.038  82.811 -71.508
   70   1HG   GLU  10           HG2      GLU  10  52.309  81.985 -70.421
   71   2HG   GLU  10           HG1      GLU  10  51.662  83.575 -70.031
   72    H    TYR  11           HN       TYR  11  46.684  82.808 -68.738
   73    HA   TYR  11           HA       TYR  11  45.178  84.589 -69.811
   74   1HB   TYR  11           HB2      TYR  11  46.353  84.612 -71.949
   75   2HB   TYR  11           HB1      TYR  11  45.876  82.955 -72.268
   76    HD1  TYR  11           HD2      TYR  11  43.321  82.477 -72.484
   77    HD2  TYR  11           HD1      TYR  11  45.059  86.398 -72.687
   78    HE1  TYR  11           HE2      TYR  11  41.330  83.292 -73.702
   79    HE2  TYR  11           HE1      TYR  11  43.066  87.211 -73.919
   80    HH   TYR  11           HH       TYR  11  40.976  85.360 -75.451
   81    H    THR  12           HN       THR  12  43.451  83.849 -68.574
   82    HA   THR  12           HA       THR  12  42.096  81.292 -69.502
   83    HB   THR  12           HB       THR  12  42.334  82.622 -66.804
   84    HG1  THR  12           HG1      THR  12  43.364  80.743 -66.281
   85   1HG2  THR  12          HG22      THR  12  40.354  80.656 -67.851
   86   2HG2  THR  12          HG21      THR  12  40.921  80.471 -66.191
   87   3HG2  THR  12          HG23      THR  12  40.132  81.967 -66.691
   88    H    LYS  13           HN       LYS  13  40.718  82.411 -70.988
   89    HA   LYS  13           HA       LYS  13  39.220  84.779 -70.289
   90   1HB   LYS  13           HB2      LYS  13  39.755  84.168 -72.622
   91   2HB   LYS  13           HB1      LYS  13  38.727  82.744 -72.478
   92   1HG   LYS  13           HG2      LYS  13  37.007  84.710 -71.662
   93   2HG   LYS  13           HG1      LYS  13  37.979  85.578 -72.851
   94   1HD   LYS  13           HD2      LYS  13  36.754  84.605 -74.469
   95   2HD   LYS  13           HD1      LYS  13  37.464  83.059 -74.004
   96   1HE   LYS  13           HE2      LYS  13  35.109  84.190 -72.505
   97   2HE   LYS  13           HE1      LYS  13  34.874  83.274 -73.992
   98   1HZ   LYS  13           HZ1      LYS  13  36.363  82.303 -71.595
   99   2HZ   LYS  13           HZ3      LYS  13  34.753  81.874 -71.997
  100   3HZ   LYS  13           HZ2      LYS  13  36.059  81.395 -73.028
  101    H    TYR  14           HN       TYR  14  38.033  84.451 -68.376
  102    HA   TYR  14           HA       TYR  14  36.166  82.178 -68.230
  103   1HB   TYR  14           HB2      TYR  14  36.220  82.529 -66.001
  104   2HB   TYR  14           HB1      TYR  14  37.421  83.776 -66.289
  105    HD1  TYR  14           HD1      TYR  14  33.813  83.111 -65.766
  106    HD2  TYR  14           HD2      TYR  14  36.833  86.131 -66.171
  107    HE1  TYR  14           HE1      TYR  14  32.204  84.818 -64.975
  108    HE2  TYR  14           HE2      TYR  14  35.217  87.845 -65.377
  109    HH   TYR  14           HH       TYR  14  33.060  88.262 -64.858
  110    H    ASN  15           HN       ASN  15  33.932  82.365 -68.194
  111    HA   ASN  15           HA       ASN  15  32.521  84.842 -68.538
  112   1HB   ASN  15           HB2      ASN  15  31.796  84.650 -70.821
  113   2HB   ASN  15           HB1      ASN  15  33.550  84.501 -70.836
  114   1HD2  ASN  15          HD22      ASN  15  31.256  81.306 -71.921
  115   2HD2  ASN  15          HD21      ASN  15  30.528  82.690 -71.264
  116    H    ASP  16           HN       ASP  16  32.470  81.320 -68.973
  117    HA   ASP  16           HA       ASP  16  29.678  80.921 -68.806
  118   1HB   ASP  16           HB2      ASP  16  31.690  78.977 -67.709
  119   2HB   ASP  16           HB1      ASP  16  30.162  78.632 -68.522
  120    H    ASP  17           HN       ASP  17  32.025  80.282 -66.260
  121    HA   ASP  17           HA       ASP  17  30.972  81.728 -64.096
  122   1HB   ASP  17           HB2      ASP  17  29.156  79.700 -64.802
  123   2HB   ASP  17           HB1      ASP  17  30.050  79.024 -63.440
  124    H    ASP  18           HN       ASP  18  32.164  78.608 -65.135
  125    HA   ASP  18           HA       ASP  18  34.601  78.901 -63.500
  126   1HB   ASP  18           HB2      ASP  18  33.315  77.552 -61.980
  127   2HB   ASP  18           HB1      ASP  18  32.660  76.570 -63.286
  128    H    THR  19           HN       THR  19  32.785  77.160 -66.021
  129    HA   THR  19           HA       THR  19  34.733  75.548 -67.181
  130    HB   THR  19           HB       THR  19  32.452  77.159 -68.321
  131    HG1  THR  19           HG1      THR  19  31.546  75.158 -68.477
  132   1HG2  THR  19          HG21      THR  19  34.687  76.027 -69.826
  133   2HG2  THR  19          HG23      THR  19  33.133  75.351 -70.312
  134   3HG2  THR  19          HG22      THR  19  33.392  77.094 -70.368
  135    H    PHE  20           HN       PHE  20  33.964  78.650 -68.766
  136    HA   PHE  20           HA       PHE  20  35.355  80.348 -69.585
  137   1HB   PHE  20           HB2      PHE  20  37.626  79.055 -68.057
  138   2HB   PHE  20           HB1      PHE  20  37.522  80.715 -68.612
  139    HD1  PHE  20           HD2      PHE  20  34.347  80.546 -67.649
  140    HD2  PHE  20           HD1      PHE  20  38.218  80.106 -65.849
  141    HE1  PHE  20           HE2      PHE  20  33.417  81.234 -65.458
  142    HE2  PHE  20           HE1      PHE  20  37.280  80.793 -63.665
  143    HZ   PHE  20           HZ       PHE  20  34.879  81.356 -63.468
  144    H    THR  21           HN       THR  21  37.531  80.606 -70.757
  145    HA   THR  21           HA       THR  21  38.158  78.148 -72.322
  146    HB   THR  21           HB       THR  21  38.612  80.799 -73.607
  147    HG1  THR  21           HG1      THR  21  36.079  79.524 -73.690
  148   1HG2  THR  21          HG21      THR  21  39.283  78.600 -74.534
  149   2HG2  THR  21          HG23      THR  21  37.591  78.109 -74.536
  150   3HG2  THR  21          HG22      THR  21  38.123  79.435 -75.568
  151    H    VAL  22           HN       VAL  22  39.985  77.557 -71.504
  152    HA   VAL  22           HA       VAL  22  41.933  79.417 -70.386
  153    HB   VAL  22           HB       VAL  22  41.709  76.411 -70.498
  154   1HG1  VAL  22          HG12      VAL  22  44.081  77.098 -70.430
  155   2HG1  VAL  22          HG11      VAL  22  43.733  78.106 -69.024
  156   3HG1  VAL  22          HG13      VAL  22  43.573  76.354 -68.915
  157   1HG2  VAL  22          HG21      VAL  22  41.007  78.572 -68.562
  158   2HG2  VAL  22          HG23      VAL  22  40.153  77.077 -68.930
  159   3HG2  VAL  22          HG22      VAL  22  41.585  77.042 -67.906
  160    H    LYS  23           HN       LYS  23  43.672  80.112 -71.372
  161    HA   LYS  23           HA       LYS  23  44.740  78.752 -73.826
  162   1HB   LYS  23           HB2      LYS  23  43.985  81.263 -73.830
  163   2HB   LYS  23           HB1      LYS  23  45.446  81.527 -72.860
  164   1HG   LYS  23           HG2      LYS  23  46.417  79.980 -74.907
  165   2HG   LYS  23           HG1      LYS  23  45.185  80.933 -75.739
  166   1HD   LYS  23           HD2      LYS  23  46.659  82.635 -75.797
  167   2HD   LYS  23           HD1      LYS  23  46.468  82.764 -74.049
  168   1HE   LYS  23           HE2      LYS  23  48.354  80.715 -75.183
  169   2HE   LYS  23           HE1      LYS  23  48.867  82.399 -75.068
  170   1HZ   LYS  23           HZ1      LYS  23  47.803  80.770 -72.800
  171   2HZ   LYS  23           HZ3      LYS  23  49.446  81.127 -73.075
  172   3HZ   LYS  23           HZ2      LYS  23  48.353  82.388 -72.705
  173    H    VAL  24           HN       VAL  24  45.644  77.257 -72.093
  174    HA   VAL  24           HA       VAL  24  48.226  78.355 -71.081
  175    HB   VAL  24           HB       VAL  24  47.836  77.771 -68.873
  176   1HG1  VAL  24          HG12      VAL  24  45.192  78.679 -70.039
  177   2HG1  VAL  24          HG11      VAL  24  45.542  78.654 -68.313
  178   3HG1  VAL  24          HG13      VAL  24  46.470  79.698 -69.387
  179   1HG2  VAL  24          HG21      VAL  24  45.895  75.857 -70.071
  180   2HG2  VAL  24          HG23      VAL  24  47.072  75.605 -68.782
  181   3HG2  VAL  24          HG22      VAL  24  45.557  76.439 -68.441
  182    H    GLY  25           HN       GLY  25  49.213  76.269 -69.742
  183   1HA   GLY  25           HA2      GLY  25  50.270  74.156 -70.050
  184   2HA   GLY  25           HA1      GLY  25  48.785  73.658 -70.858
  185    H    ASP  26           HN       ASP  26  48.746  73.560 -73.028
  186    HA   ASP  26           HA       ASP  26  50.970  74.799 -74.534
  187   1HB   ASP  26           HB2      ASP  26  50.042  71.939 -74.963
  188   2HB   ASP  26           HB1      ASP  26  51.369  72.748 -75.797
  189    H    LYS  27           HN       LYS  27  47.799  74.843 -74.122
  190    HA   LYS  27           HA       LYS  27  47.232  75.507 -76.939
  191   1HB   LYS  27           HB2      LYS  27  45.762  73.291 -75.467
  192   2HB   LYS  27           HB1      LYS  27  45.237  73.985 -76.999
  193   1HG   LYS  27           HG2      LYS  27  47.951  72.694 -76.581
  194   2HG   LYS  27           HG1      LYS  27  46.552  71.847 -77.239
  195   1HD   LYS  27           HD2      LYS  27  46.433  73.356 -79.124
  196   2HD   LYS  27           HD1      LYS  27  47.661  74.407 -78.420
  197   1HE   LYS  27           HE2      LYS  27  48.353  71.529 -78.880
  198   2HE   LYS  27           HE1      LYS  27  48.313  72.616 -80.270
  199   1HZ   LYS  27           HZ3      LYS  27  49.680  73.597 -77.871
  200   2HZ   LYS  27           HZ2      LYS  27  50.454  72.335 -78.735
  201   3HZ   LYS  27           HZ1      LYS  27  50.080  73.797 -79.520
  202    H    GLU  28           HN       GLU  28  44.676  75.958 -77.026
  203    HA   GLU  28           HA       GLU  28  43.785  77.353 -74.561
  204   1HB   GLU  28           HB2      GLU  28  44.895  79.041 -75.985
  205   2HB   GLU  28           HB1      GLU  28  43.846  78.589 -77.328
  206   1HG   GLU  28           HG2      GLU  28  41.861  79.162 -75.859
  207   2HG   GLU  28           HG1      GLU  28  43.002  79.823 -74.687
  208    H    LEU  29           HN       LEU  29  41.632  76.829 -74.168
  209    HA   LEU  29           HA       LEU  29  39.670  76.655 -76.256
  210   1HB   LEU  29           HB2      LEU  29  39.582  74.450 -76.836
  211   2HB   LEU  29           HB1      LEU  29  41.283  74.516 -76.415
  212    HG   LEU  29           HG       LEU  29  39.025  73.535 -74.641
  213   1HD1  LEU  29          HD11      LEU  29  41.310  72.236 -76.131
  214   2HD1  LEU  29          HD13      LEU  29  40.501  71.434 -74.786
  215   3HD1  LEU  29          HD12      LEU  29  39.590  71.861 -76.235
  216   1HD2  LEU  29          HD22      LEU  29  41.504  74.670 -73.869
  217   2HD2  LEU  29          HD21      LEU  29  40.379  73.763 -72.858
  218   3HD2  LEU  29          HD23      LEU  29  41.682  72.925 -73.699
  219    H    PHE  30           HN       PHE  30  37.576  75.652 -75.451
  220    HA   PHE  30           HA       PHE  30  36.887  76.726 -72.880
  221   1HB   PHE  30           HB2      PHE  30  35.481  75.309 -75.081
  222   2HB   PHE  30           HB1      PHE  30  34.785  75.084 -73.479
  223    HD1  PHE  30           HD2      PHE  30  34.140  77.096 -72.110
  224    HD2  PHE  30           HD1      PHE  30  35.278  77.395 -76.240
  225    HE1  PHE  30           HE2      PHE  30  33.095  79.342 -72.233
  226    HE2  PHE  30           HE1      PHE  30  34.232  79.641 -76.366
  227    HZ   PHE  30           HZ       PHE  30  33.140  80.615 -74.361
  228    H    THR  31           HN       THR  31  36.161  75.537 -71.033
  229    HA   THR  31           HA       THR  31  36.977  72.645 -70.908
  230    HB   THR  31           HB       THR  31  38.992  73.305 -70.090
  231    HG1  THR  31           HG1      THR  31  37.598  74.326 -67.848
  232   1HG2  THR  31          HG23      THR  31  37.677  75.989 -69.575
  233   2HG2  THR  31          HG22      THR  31  39.387  75.660 -69.301
  234   3HG2  THR  31          HG21      THR  31  38.724  75.558 -70.930
  235    H    ASN  32           HN       ASN  32  35.367  71.556 -69.855
  236    HA   ASN  32           HA       ASN  32  34.058  72.885 -67.532
  237   1HB   ASN  32           HB2      ASN  32  31.838  71.925 -68.377
  238   2HB   ASN  32           HB1      ASN  32  32.470  73.325 -69.242
  239   1HD2  ASN  32          HD22      ASN  32  33.074  71.512 -72.251
  240   2HD2  ASN  32          HD21      ASN  32  33.429  72.936 -71.401
  241    H    ARG  33           HN       ARG  33  33.604  71.534 -65.857
  242    HA   ARG  33           HA       ARG  33  33.323  68.648 -66.150
  243   1HB   ARG  33           HB2      ARG  33  35.871  69.114 -66.185
  244   2HB   ARG  33           HB1      ARG  33  35.686  69.549 -64.487
  245   1HG   ARG  33           HG2      ARG  33  34.678  66.914 -65.593
  246   2HG   ARG  33           HG1      ARG  33  36.317  67.106 -64.976
  247   1HD   ARG  33           HD2      ARG  33  35.120  68.102 -62.861
  248   2HD   ARG  33           HD1      ARG  33  33.707  67.251 -63.481
  249    HE   ARG  33           HE       ARG  33  35.959  65.449 -63.440
  250   1HH1  ARG  33          HH21      ARG  33  33.554  66.965 -61.450
  251   2HH1  ARG  33          HH22      ARG  33  33.778  65.854 -60.129
  252   1HH2  ARG  33          HH11      ARG  33  36.266  64.072 -61.711
  253   2HH2  ARG  33          HH12      ARG  33  35.276  64.220 -60.290
  254    H    TRP  34           HN       TRP  34  34.251  71.134 -63.723
  255    HA   TRP  34           HA       TRP  34  31.801  71.103 -62.320
  256   1HB   TRP  34           HB2      TRP  34  31.878  69.437 -60.767
  257   2HB   TRP  34           HB1      TRP  34  32.876  68.669 -61.986
  258    HD1  TRP  34           HD1      TRP  34  32.825  69.151 -58.486
  259    HE1  TRP  34           HE1      TRP  34  35.165  69.065 -57.424
  260    HE3  TRP  34           HE3      TRP  34  35.730  69.753 -62.651
  261    HZ2  TRP  34           HZ2      TRP  34  37.897  69.239 -58.215
  262    HZ3  TRP  34           HZ3      TRP  34  38.196  69.789 -62.461
  263    HH2  TRP  34           HH2      TRP  34  39.285  69.535 -60.251
  264    H    ASN  35           HN       ASN  35  35.260  71.700 -62.226
  265    HA   ASN  35           HA       ASN  35  35.015  74.276 -61.089
  266   1HB   ASN  35           HB2      ASN  35  34.445  72.703 -59.071
  267   2HB   ASN  35           HB1      ASN  35  36.181  72.399 -59.040
  268   1HD2  ASN  35          HD22      ASN  35  34.754  76.019 -57.834
  269   2HD2  ASN  35          HD21      ASN  35  33.709  74.871 -58.519
  270    H    LEU  36           HN       LEU  36  36.448  73.982 -63.125
  271    HA   LEU  36           HA       LEU  36  39.152  72.951 -62.679
  272   1HB   LEU  36           HB2      LEU  36  37.605  74.032 -64.936
  273   2HB   LEU  36           HB1      LEU  36  39.305  74.501 -64.955
  274    HG   LEU  36           HG       LEU  36  39.261  71.772 -64.216
  275   1HD1  LEU  36          HD11      LEU  36  36.881  71.970 -65.243
  276   2HD1  LEU  36          HD13      LEU  36  37.724  72.123 -66.784
  277   3HD1  LEU  36          HD12      LEU  36  37.925  70.668 -65.810
  278   1HD2  LEU  36          HD23      LEU  36  40.763  73.333 -65.782
  279   2HD2  LEU  36          HD22      LEU  36  40.751  71.580 -65.969
  280   3HD2  LEU  36          HD21      LEU  36  39.780  72.589 -67.043
  281    H    GLN  37           HN       GLN  37  37.544  75.973 -62.135
  282    HA   GLN  37           HA       GLN  37  39.599  77.882 -62.398
  283   1HB   GLN  37           HB2      GLN  37  37.204  77.570 -60.650
  284   2HB   GLN  37           HB1      GLN  37  38.408  78.752 -60.136
  285   1HG   GLN  37           HG2      GLN  37  38.323  79.653 -62.533
  286   2HG   GLN  37           HG1      GLN  37  36.866  78.675 -62.732
  287   1HE2  GLN  37          HE22      GLN  37  34.868  80.782 -60.669
  288   2HE2  GLN  37          HE21      GLN  37  34.964  79.265 -61.427
  289    H    SER  38           HN       SER  38  38.846  75.851 -59.562
  290    HA   SER  38           HA       SER  38  40.908  76.684 -57.830
  291   1HB   SER  38           HB2      SER  38  38.964  74.992 -57.450
  292   2HB   SER  38           HB1      SER  38  40.104  73.785 -58.045
  293    HG   SER  38           HG       SER  38  40.523  73.845 -55.917
  294    H    LEU  39           HN       LEU  39  41.036  74.336 -60.493
  295    HA   LEU  39           HA       LEU  39  43.745  73.453 -59.942
  296   1HB   LEU  39           HB2      LEU  39  41.850  73.196 -62.272
  297   2HB   LEU  39           HB1      LEU  39  43.536  72.710 -62.445
  298    HG   LEU  39           HG       LEU  39  43.251  71.266 -60.397
  299   1HD1  LEU  39          HD13      LEU  39  40.343  72.021 -60.820
  300   2HD1  LEU  39          HD12      LEU  39  40.897  70.716 -59.771
  301   3HD1  LEU  39          HD11      LEU  39  41.327  72.384 -59.402
  302   1HD2  LEU  39          HD21      LEU  39  41.457  70.759 -62.788
  303   2HD2  LEU  39          HD23      LEU  39  43.138  70.262 -62.609
  304   3HD2  LEU  39          HD22      LEU  39  41.892  69.533 -61.597
  305    H    LEU  40           HN       LEU  40  42.330  75.821 -62.234
  306    HA   LEU  40           HA       LEU  40  44.836  76.583 -63.430
  307   1HB   LEU  40           HB2      LEU  40  42.251  78.130 -63.075
  308   2HB   LEU  40           HB1      LEU  40  43.605  78.690 -64.057
  309    HG   LEU  40           HG       LEU  40  42.444  75.951 -64.513
  310   1HD1  LEU  40          HD13      LEU  40  40.823  78.147 -64.601
  311   2HD1  LEU  40          HD12      LEU  40  41.480  78.153 -66.238
  312   3HD1  LEU  40          HD11      LEU  40  40.622  76.734 -65.638
  313   1HD2  LEU  40          HD23      LEU  40  44.625  76.810 -65.547
  314   2HD2  LEU  40          HD22      LEU  40  43.414  76.220 -66.685
  315   3HD2  LEU  40          HD21      LEU  40  43.632  77.954 -66.451
  316    H    LEU  41           HN       LEU  41  43.050  77.780 -60.614
  317    HA   LEU  41           HA       LEU  41  44.843  79.959 -59.994
  318   1HB   LEU  41           HB2      LEU  41  42.520  78.618 -58.755
  319   2HB   LEU  41           HB1      LEU  41  43.658  79.314 -57.603
  320    HG   LEU  41           HG       LEU  41  43.496  81.487 -58.675
  321   1HD1  LEU  41          HD11      LEU  41  43.143  80.435 -61.000
  322   2HD1  LEU  41          HD13      LEU  41  41.439  80.329 -60.561
  323   3HD1  LEU  41          HD12      LEU  41  42.231  81.901 -60.645
  324   1HD2  LEU  41          HD23      LEU  41  40.971  80.050 -57.929
  325   2HD2  LEU  41          HD22      LEU  41  41.803  81.354 -57.083
  326   3HD2  LEU  41          HD21      LEU  41  40.863  81.703 -58.534
  327    H    SER  42           HN       SER  42  44.322  76.932 -58.128
  328    HA   SER  42           HA       SER  42  46.565  77.037 -56.475
  329   1HB   SER  42           HB2      SER  42  46.513  74.511 -56.521
  330   2HB   SER  42           HB1      SER  42  44.957  75.269 -56.189
  331    HG   SER  42           HG       SER  42  44.280  74.809 -58.218
  332    H    ALA  43           HN       ALA  43  46.460  76.021 -59.873
  333    HA   ALA  43           HA       ALA  43  49.115  74.981 -60.051
  334   1HB   ALA  43           HB2      ALA  43  47.373  76.361 -62.128
  335   2HB   ALA  43           HB1      ALA  43  48.891  75.542 -62.503
  336   3HB   ALA  43           HB3      ALA  43  47.528  74.625 -61.863
  337    H    GLN  44           HN       GLN  44  48.074  78.167 -61.312
  338    HA   GLN  44           HA       GLN  44  50.656  79.264 -61.552
  339   1HB   GLN  44           HB2      GLN  44  47.945  80.165 -61.864
  340   2HB   GLN  44           HB1      GLN  44  48.848  81.377 -60.958
  341   1HG   GLN  44           HG2      GLN  44  50.177  80.183 -63.349
  342   2HG   GLN  44           HG1      GLN  44  48.867  81.326 -63.633
  343   1HE2  GLN  44          HE22      GLN  44  52.189  82.732 -61.650
  344   2HE2  GLN  44          HE21      GLN  44  51.754  81.105 -61.445
  345    H    ILE  45           HN       ILE  45  48.416  79.239 -58.819
  346    HA   ILE  45           HA       ILE  45  49.806  81.096 -57.172
  347    HB   ILE  45           HB       ILE  45  48.126  78.686 -56.466
  348   1HG1  ILE  45          HG12      ILE  45  47.497  81.662 -56.440
  349   2HG1  ILE  45          HG11      ILE  45  46.993  80.541 -57.704
  350   1HG2  ILE  45          HG23      ILE  45  49.624  79.287 -54.592
  351   2HG2  ILE  45          HG22      ILE  45  49.079  80.960 -54.687
  352   3HG2  ILE  45          HG21      ILE  45  47.953  79.691 -54.207
  353   1HD1  ILE  45          HD13      ILE  45  46.294  80.117 -54.791
  354   2HD1  ILE  45          HD12      ILE  45  45.260  81.026 -55.891
  355   3HD1  ILE  45          HD11      ILE  45  45.591  79.323 -56.201
  356    H    THR  46           HN       THR  46  49.938  77.536 -57.201
  357    HA   THR  46           HA       THR  46  52.291  77.449 -55.460
  358    HB   THR  46           HB       THR  46  52.194  75.005 -55.875
  359    HG1  THR  46           HG1      THR  46  49.946  75.524 -57.515
  360   1HG2  THR  46          HG22      THR  46  49.550  76.363 -55.308
  361   2HG2  THR  46          HG21      THR  46  49.849  74.648 -55.028
  362   3HG2  THR  46          HG23      THR  46  50.762  75.860 -54.130
  363    H    GLY  47           HN       GLY  47  51.601  77.126 -58.903
  364   1HA   GLY  47           HA2      GLY  47  54.387  77.752 -59.576
  365   2HA   GLY  47           HA1      GLY  47  53.883  76.123 -60.031
  366    H    MET  48           HN       MET  48  52.442  75.849 -61.698
  367    HA   MET  48           HA       MET  48  50.561  77.132 -62.974
  368   1HB   MET  48           HB2      MET  48  51.361  78.885 -64.483
  369   2HB   MET  48           HB1      MET  48  51.678  79.330 -62.815
  370   1HG   MET  48           HG2      MET  48  54.020  78.249 -63.214
  371   2HG   MET  48           HG1      MET  48  53.628  78.424 -64.925
  372   1HE   MET  48           HE2      MET  48  52.715  80.226 -65.926
  373   2HE   MET  48           HE1      MET  48  52.134  81.654 -65.074
  374   3HE   MET  48           HE3      MET  48  53.670  81.705 -65.949
  375    H    THR  49           HN       THR  49  51.268  74.650 -63.341
  376    HA   THR  49           HA       THR  49  51.423  74.338 -66.163
  377    HB   THR  49           HB       THR  49  53.726  74.986 -66.075
  378    HG1  THR  49           HG1      THR  49  53.706  72.146 -66.084
  379   1HG2  THR  49          HG21      THR  49  54.047  74.583 -63.633
  380   2HG2  THR  49          HG23      THR  49  54.121  72.850 -63.954
  381   3HG2  THR  49          HG22      THR  49  55.363  73.921 -64.604
  382    H    VAL  50           HN       VAL  50  49.601  73.241 -64.963
  383    HA   VAL  50           HA       VAL  50  50.163  70.687 -63.663
  384    HB   VAL  50           HB       VAL  50  47.793  70.483 -63.432
  385   1HG1  VAL  50          HG12      VAL  50  49.072  72.684 -62.569
  386   2HG1  VAL  50          HG11      VAL  50  47.804  73.425 -63.544
  387   3HG1  VAL  50          HG13      VAL  50  47.377  72.343 -62.218
  388   1HG2  VAL  50          HG22      VAL  50  47.783  72.071 -65.928
  389   2HG2  VAL  50          HG21      VAL  50  46.744  70.732 -65.450
  390   3HG2  VAL  50          HG23      VAL  50  46.448  72.351 -64.816
  391    H    THR  51           HN       THR  51  48.003  69.226 -65.058
  392    HA   THR  51           HA       THR  51  49.253  68.836 -67.698
  393    HB   THR  51           HB       THR  51  48.368  66.586 -65.874
  394    HG1  THR  51           HG1      THR  51  50.445  67.786 -65.461
  395   1HG2  THR  51          HG22      THR  51  48.091  66.211 -68.344
  396   2HG2  THR  51          HG21      THR  51  49.827  66.470 -68.520
  397   3HG2  THR  51          HG23      THR  51  49.232  65.107 -67.574
  398    H    ILE  52           HN       ILE  52  47.728  69.296 -69.200
  399    HA   ILE  52           HA       ILE  52  44.847  68.888 -68.501
  400    HB   ILE  52           HB       ILE  52  46.038  70.318 -70.900
  401   1HG1  ILE  52          HG12      ILE  52  46.742  71.480 -68.900
  402   2HG1  ILE  52          HG11      ILE  52  45.407  72.395 -69.604
  403   1HG2  ILE  52          HG23      ILE  52  43.254  70.096 -69.735
  404   2HG2  ILE  52          HG22      ILE  52  43.711  71.418 -70.810
  405   3HG2  ILE  52          HG21      ILE  52  43.777  69.752 -71.385
  406   1HD1  ILE  52          HD13      ILE  52  43.870  71.103 -68.045
  407   2HD1  ILE  52          HD12      ILE  52  45.324  70.515 -67.237
  408   3HD1  ILE  52          HD11      ILE  52  44.963  72.241 -67.256
  409    H    LYS  53           HN       LYS  53  43.701  67.193 -69.394
  410    HA   LYS  53           HA       LYS  53  44.484  66.095 -72.009
  411   1HB   LYS  53           HB2      LYS  53  44.788  63.795 -70.998
  412   2HB   LYS  53           HB1      LYS  53  46.087  64.944 -70.691
  413   1HG   LYS  53           HG2      LYS  53  45.534  65.173 -68.454
  414   2HG   LYS  53           HG1      LYS  53  43.839  64.764 -68.734
  415   1HD   LYS  53           HD2      LYS  53  44.213  62.515 -68.600
  416   2HD   LYS  53           HD1      LYS  53  45.787  62.631 -69.374
  417   1HE   LYS  53           HE2      LYS  53  46.781  63.486 -67.307
  418   2HE   LYS  53           HE1      LYS  53  45.201  63.450 -66.515
  419   1HZ   LYS  53           HZ3      LYS  53  46.528  61.066 -67.730
  420   2HZ   LYS  53           HZ2      LYS  53  46.589  61.465 -66.054
  421   3HZ   LYS  53           HZ1      LYS  53  45.078  61.084 -66.784
  422    H    THR  54           HN       THR  54  43.271  63.943 -72.405
  423    HA   THR  54           HA       THR  54  41.303  62.756 -72.658
  424    HB   THR  54           HB       THR  54  39.931  62.365 -70.787
  425    HG1  THR  54           HG1      THR  54  40.770  64.933 -69.897
  426   1HG2  THR  54          HG23      THR  54  42.391  61.827 -70.510
  427   2HG2  THR  54          HG22      THR  54  42.526  63.303 -69.557
  428   3HG2  THR  54          HG21      THR  54  41.486  61.991 -69.007
  429    H    ASN  55           HN       ASN  55  38.997  62.960 -73.085
  430    HA   ASN  55           HA       ASN  55  37.221  64.007 -74.162
  431   1HB   ASN  55           HB2      ASN  55  37.207  65.097 -71.821
  432   2HB   ASN  55           HB1      ASN  55  37.916  66.501 -72.615
  433   1HD2  ASN  55          HD22      ASN  55  34.073  65.444 -73.646
  434   2HD2  ASN  55          HD21      ASN  55  35.127  64.238 -73.085
  435    H    ALA  56           HN       ALA  56  39.334  63.927 -75.812
  436    HA   ALA  56           HA       ALA  56  39.992  64.895 -77.864
  437   1HB   ALA  56           HB3      ALA  56  37.647  66.198 -77.330
  438   2HB   ALA  56           HB2      ALA  56  38.782  67.546 -77.352
  439   3HB   ALA  56           HB1      ALA  56  38.636  66.494 -78.760
  440    H    CYS  57           HN       CYS  57  39.910  67.466 -75.364
  441    HA   CYS  57           HA       CYS  57  41.643  68.807 -74.503
  442   1HB   CYS  57           HB2      CYS  57  42.935  66.723 -74.300
  443   2HB   CYS  57           HB1      CYS  57  43.428  66.849 -75.984
  444    H    HIS  58           HN       HIS  58  40.331  69.169 -77.187
  445    HA   HIS  58           HA       HIS  58  42.049  71.359 -78.121
  446   1HB   HIS  58           HB2      HIS  58  41.934  68.790 -79.503
  447   2HB   HIS  58           HB1      HIS  58  41.348  70.095 -80.535
  448    HD1  HIS  58           HD1      HIS  58  43.057  71.741 -81.432
  449    HD2  HIS  58           HD2      HIS  58  44.665  69.178 -78.567
  450    HE1  HIS  58           HE1      HIS  58  45.567  72.090 -81.485
  451    H    ASN  59           HN       ASN  59  40.579  73.014 -78.249
  452    HA   ASN  59           HA       ASN  59  38.566  74.168 -78.619
  453   1HB   ASN  59           HB2      ASN  59  39.036  73.260 -80.961
  454   2HB   ASN  59           HB1      ASN  59  37.914  71.952 -80.584
  455   1HD2  ASN  59          HD22      ASN  59  35.135  73.940 -81.370
  456   2HD2  ASN  59          HD21      ASN  59  35.816  72.392 -81.246
  457    H    GLY  60           HN       GLY  60  37.919  73.539 -76.433
  458   1HA   GLY  60           HA2      GLY  60  36.221  72.786 -74.959
  459   2HA   GLY  60           HA1      GLY  60  35.399  72.060 -76.349
  460    H    GLY  61           HN       GLY  61  38.404  71.637 -74.446
  461   1HA   GLY  61           HA2      GLY  61  37.947  68.689 -74.559
  462   2HA   GLY  61           HA1      GLY  61  39.520  69.350 -74.969
  463    H    GLY  62           HN       GLY  62  39.949  67.710 -73.080
  464   1HA   GLY  62           HA2      GLY  62  40.779  67.464 -70.898
  465   2HA   GLY  62           HA1      GLY  62  40.710  69.221 -70.754
  466    H    PHE  63           HN       PHE  63  38.947  66.225 -70.182
  467    HA   PHE  63           HA       PHE  63  36.688  67.788 -69.061
  468   1HB   PHE  63           HB2      PHE  63  36.139  65.923 -70.570
  469   2HB   PHE  63           HB1      PHE  63  36.953  64.793 -69.489
  470    HD1  PHE  63           HD2      PHE  63  34.468  67.600 -69.150
  471    HD2  PHE  63           HD1      PHE  63  35.525  63.564 -68.123
  472    HE1  PHE  63           HE2      PHE  63  32.397  67.400 -67.803
  473    HE2  PHE  63           HE1      PHE  63  33.453  63.366 -66.773
  474    HZ   PHE  63           HZ       PHE  63  31.890  65.285 -66.613
  475    H    SER  64           HN       SER  64  37.923  64.653 -67.792
  476    HA   SER  64           HA       SER  64  38.193  66.038 -65.160
  477   1HB   SER  64           HB2      SER  64  36.188  64.408 -65.588
  478   2HB   SER  64           HB1      SER  64  37.400  63.155 -65.334
  479    HG   SER  64           HG       SER  64  37.750  63.895 -63.288
  480    H    GLU  65           HN       GLU  65  40.505  65.597 -66.879
  481    HA   GLU  65           HA       GLU  65  41.984  63.860 -64.976
  482   1HB   GLU  65           HB2      GLU  65  41.808  63.543 -67.946
  483   2HB   GLU  65           HB1      GLU  65  43.308  63.116 -67.119
  484   1HG   GLU  65           HG2      GLU  65  40.855  62.123 -65.804
  485   2HG   GLU  65           HG1      GLU  65  41.165  61.420 -67.390
  486    H    VAL  66           HN       VAL  66  43.128  65.498 -64.033
  487    HA   VAL  66           HA       VAL  66  45.011  66.969 -65.794
  488    HB   VAL  66           HB       VAL  66  43.075  68.283 -63.876
  489   1HG1  VAL  66          HG12      VAL  66  45.790  69.068 -64.633
  490   2HG1  VAL  66          HG11      VAL  66  44.591  70.298 -65.026
  491   3HG1  VAL  66          HG13      VAL  66  44.747  69.715 -63.369
  492   1HG2  VAL  66          HG23      VAL  66  42.829  67.800 -66.554
  493   2HG2  VAL  66          HG22      VAL  66  42.071  69.158 -65.728
  494   3HG2  VAL  66          HG21      VAL  66  43.603  69.382 -66.571
  495    H    ILE  67           HN       ILE  67  47.021  67.202 -64.867
  496    HA   ILE  67           HA       ILE  67  47.285  66.203 -62.067
  497    HB   ILE  67           HB       ILE  67  49.273  66.302 -64.331
  498   1HG1  ILE  67          HG12      ILE  67  48.970  63.850 -62.840
  499   2HG1  ILE  67          HG11      ILE  67  47.403  64.432 -63.396
  500   1HG2  ILE  67          HG23      ILE  67  50.100  66.912 -61.897
  501   2HG2  ILE  67          HG22      ILE  67  49.882  65.186 -61.611
  502   3HG2  ILE  67          HG21      ILE  67  50.997  65.739 -62.858
  503   1HD1  ILE  67          HD12      ILE  67  49.651  64.520 -65.353
  504   2HD1  ILE  67          HD11      ILE  67  48.964  62.940 -64.979
  505   3HD1  ILE  67          HD13      ILE  67  47.936  64.217 -65.627
  506    H    PHE  68           HN       PHE  68  47.631  67.666 -60.518
  507    HA   PHE  68           HA       PHE  68  48.073  70.443 -61.104
  508   1HB   PHE  68           HB2      PHE  68  48.529  69.179 -58.405
  509   2HB   PHE  68           HB1      PHE  68  48.034  70.831 -58.764
  510    HD1  PHE  68           HD1      PHE  68  46.161  69.654 -61.126
  511    HD2  PHE  68           HD2      PHE  68  46.542  69.013 -56.903
  512    HE1  PHE  68           HE1      PHE  68  43.816  68.929 -61.038
  513    HE2  PHE  68           HE2      PHE  68  44.187  68.285 -56.802
  514    HZ   PHE  68           HZ       PHE  68  42.802  68.245 -58.866
  515    H    ARG  69           HN       ARG  69  49.752  71.757 -60.795
  516    HA   ARG  69           HA       ARG  69  52.147  71.728 -59.626
  517   1HB   ARG  69           HB2      ARG  69  52.196  69.645 -61.706
  518   2HB   ARG  69           HB1      ARG  69  53.525  70.793 -61.829
  519   1HG   ARG  69           HG2      ARG  69  52.856  68.909 -59.577
  520   2HG   ARG  69           HG1      ARG  69  54.403  69.175 -60.368
  521   1HD   ARG  69           HD2      ARG  69  53.027  70.924 -58.319
  522   2HD   ARG  69           HD1      ARG  69  54.613  70.169 -58.219
  523    HE   ARG  69           HE       ARG  69  54.139  72.754 -59.279
  524   1HH1  ARG  69          HH11      ARG  69  56.635  70.734 -58.862
  525   2HH1  ARG  69          HH12      ARG  69  57.445  71.093 -60.357
  526   1HH2  ARG  69          HH21      ARG  69  54.718  72.786 -61.700
  527   2HH2  ARG  69          HH22      ARG  69  56.356  72.261 -61.979
   
  No H/Q in entry =         527
  Start of MODEL    3
    1   1H    THR   1           HT1      THR   1  55.285  55.925 -35.300
    2   2H    THR   1           HT3      THR   1  54.793  56.405 -33.749
    3   3H    THR   1           HT2      THR   1  55.008  54.754 -34.098
    4    HA   THR   1           HA       THR   1  52.719  54.956 -34.208
    5    HB   THR   1           HB       THR   1  52.036  57.096 -35.824
    6    HG1  THR   1           HG1      THR   1  53.925  58.130 -35.859
    7   1HG2  THR   1          HG22      THR   1  51.595  56.237 -33.210
    8   2HG2  THR   1          HG21      THR   1  52.237  57.868 -33.020
    9   3HG2  THR   1          HG23      THR   1  50.802  57.595 -34.008
   10    HA   PRO   2           HA       PRO   2  52.457  53.255 -38.269
   11   1HB   PRO   2           HB2      PRO   2  49.779  53.543 -38.841
   12   2HB   PRO   2           HB1      PRO   2  50.410  52.358 -37.681
   13   1HG   PRO   2           HG2      PRO   2  48.983  54.925 -37.156
   14   2HG   PRO   2           HG1      PRO   2  49.070  53.464 -36.158
   15   1HD   PRO   2           HD2      PRO   2  50.542  55.844 -35.748
   16   2HD   PRO   2           HD1      PRO   2  50.848  54.275 -34.969
   17    H    ASP   3           HN       ASP   3  53.600  55.690 -38.614
   18    HA   ASP   3           HA       ASP   3  51.956  57.339 -40.416
   19   1HB   ASP   3           HB2      ASP   3  54.882  57.760 -39.811
   20   2HB   ASP   3           HB1      ASP   3  53.683  58.957 -40.297
   21    H    CYS   4           HN       CYS   4  54.439  58.065 -42.078
   22    HA   CYS   4           HA       CYS   4  55.227  55.645 -43.450
   23   1HB   CYS   4           HB2      CYS   4  52.946  55.591 -44.208
   24   2HB   CYS   4           HB1      CYS   4  53.023  57.285 -44.684
   25    H    VAL   5           HN       VAL   5  54.377  58.604 -45.248
   26    HA   VAL   5           HA       VAL   5  57.303  59.254 -45.403
   27    HB   VAL   5           HB       VAL   5  57.090  59.529 -47.834
   28   1HG1  VAL   5          HG13      VAL   5  56.836  57.042 -46.425
   29   2HG1  VAL   5          HG12      VAL   5  55.945  56.933 -47.943
   30   3HG1  VAL   5          HG11      VAL   5  57.655  57.363 -47.953
   31   1HG2  VAL   5          HG21      VAL   5  54.216  59.187 -47.168
   32   2HG2  VAL   5          HG23      VAL   5  54.966  60.117 -48.465
   33   3HG2  VAL   5          HG22      VAL   5  54.755  58.374 -48.636
   34    H    THR   6           HN       THR   6  57.108  61.314 -47.283
   35    HA   THR   6           HA       THR   6  55.753  63.431 -45.728
   36    HB   THR   6           HB       THR   6  57.200  64.933 -47.045
   37    HG1  THR   6           HG1      THR   6  58.196  62.487 -48.112
   38   1HG2  THR   6          HG23      THR   6  57.833  63.330 -44.930
   39   2HG2  THR   6          HG22      THR   6  59.159  63.008 -46.047
   40   3HG2  THR   6          HG21      THR   6  58.833  64.659 -45.518
   41    H    GLY   7           HN       GLY   7  55.140  65.362 -47.457
   42   1HA   GLY   7           HA2      GLY   7  53.700  64.107 -49.737
   43   2HA   GLY   7           HA1      GLY   7  52.752  64.986 -48.554
   44    H    LYS   8           HN       LYS   8  55.587  65.471 -50.655
   45    HA   LYS   8           HA       LYS   8  55.207  68.342 -50.843
   46   1HB   LYS   8           HB2      LYS   8  56.806  66.521 -52.683
   47   2HB   LYS   8           HB1      LYS   8  56.940  68.273 -52.578
   48   1HG   LYS   8           HG2      LYS   8  58.719  67.635 -51.246
   49   2HG   LYS   8           HG1      LYS   8  57.441  67.764 -50.047
   50   1HD   LYS   8           HD2      LYS   8  57.358  65.535 -49.681
   51   2HD   LYS   8           HD1      LYS   8  57.615  65.151 -51.383
   52   1HE   LYS   8           HE2      LYS   8  60.013  65.682 -51.144
   53   2HE   LYS   8           HE1      LYS   8  59.755  66.061 -49.436
   54   1HZ   LYS   8           HZ1      LYS   8  58.924  63.802 -49.099
   55   2HZ   LYS   8           HZ3      LYS   8  59.234  63.433 -50.745
   56   3HZ   LYS   8           HZ2      LYS   8  60.532  63.789 -49.692
   57    H    VAL   9           HN       VAL   9  55.453  68.197 -53.949
   58    HA   VAL   9           HA       VAL   9  52.918  66.924 -54.724
   59    HB   VAL   9           HB       VAL   9  53.218  69.910 -54.827
   60   1HG1  VAL   9          HG11      VAL   9  51.233  67.972 -55.977
   61   2HG1  VAL   9          HG13      VAL   9  50.724  69.607 -55.554
   62   3HG1  VAL   9          HG12      VAL   9  51.999  69.362 -56.746
   63   1HG2  VAL   9          HG21      VAL   9  51.559  68.028 -53.148
   64   2HG2  VAL   9          HG23      VAL   9  52.681  69.269 -52.592
   65   3HG2  VAL   9          HG22      VAL   9  51.147  69.732 -53.328
   66    H    GLU  10           HN       GLU  10  54.968  66.016 -56.075
   67    HA   GLU  10           HA       GLU  10  55.386  67.911 -58.318
   68   1HB   GLU  10           HB2      GLU  10  57.006  65.728 -57.122
   69   2HB   GLU  10           HB1      GLU  10  57.081  65.835 -58.879
   70   1HG   GLU  10           HG2      GLU  10  58.762  67.233 -57.388
   71   2HG   GLU  10           HG1      GLU  10  58.074  67.938 -58.847
   72    H    TYR  11           HN       TYR  11  52.943  67.154 -58.555
   73    HA   TYR  11           HA       TYR  11  52.007  66.356 -60.807
   74   1HB   TYR  11           HB2      TYR  11  53.885  64.889 -61.323
   75   2HB   TYR  11           HB1      TYR  11  53.499  63.858 -59.957
   76    HD1  TYR  11           HD2      TYR  11  51.202  62.632 -60.001
   77    HD2  TYR  11           HD1      TYR  11  53.004  64.472 -63.436
   78    HE1  TYR  11           HE2      TYR  11  49.830  61.206 -61.481
   79    HE2  TYR  11           HE1      TYR  11  51.634  63.032 -64.917
   80    HH   TYR  11           HH       TYR  11  50.186  60.321 -64.009
   81    H    THR  12           HN       THR  12  49.919  66.612 -59.986
   82    HA   THR  12           HA       THR  12  48.906  64.424 -58.133
   83    HB   THR  12           HB       THR  12  48.178  67.335 -58.458
   84    HG1  THR  12           HG1      THR  12  48.834  67.430 -56.339
   85   1HG2  THR  12          HG22      THR  12  46.654  65.052 -57.298
   86   2HG2  THR  12          HG21      THR  12  46.566  66.616 -56.486
   87   3HG2  THR  12          HG23      THR  12  46.067  66.469 -58.171
   88    H    LYS  13           HN       LYS  13  48.227  63.078 -59.896
   89    HA   LYS  13           HA       LYS  13  46.654  64.049 -62.112
   90   1HB   LYS  13           HB2      LYS  13  47.995  61.991 -62.232
   91   2HB   LYS  13           HB1      LYS  13  46.962  61.243 -61.017
   92   1HG   LYS  13           HG2      LYS  13  45.109  62.090 -62.858
   93   2HG   LYS  13           HG1      LYS  13  46.476  61.674 -63.894
   94   1HD   LYS  13           HD2      LYS  13  45.909  59.504 -63.679
   95   2HD   LYS  13           HD1      LYS  13  46.329  59.613 -61.970
   96   1HE   LYS  13           HE2      LYS  13  43.638  60.547 -62.936
   97   2HE   LYS  13           HE1      LYS  13  43.925  58.837 -62.620
   98   1HZ   LYS  13           HZ3      LYS  13  44.402  61.045 -60.672
   99   2HZ   LYS  13           HZ2      LYS  13  43.030  60.013 -60.681
  100   3HZ   LYS  13           HZ1      LYS  13  44.603  59.365 -60.357
  101    H    TYR  14           HN       TYR  14  44.837  65.196 -61.380
  102    HA   TYR  14           HA       TYR  14  42.967  63.871 -59.530
  103   1HB   TYR  14           HB2      TYR  14  42.209  65.955 -59.108
  104   2HB   TYR  14           HB1      TYR  14  43.474  66.563 -60.163
  105    HD1  TYR  14           HD1      TYR  14  39.909  65.610 -59.943
  106    HD2  TYR  14           HD2      TYR  14  42.965  67.297 -62.435
  107    HE1  TYR  14           HE1      TYR  14  38.175  66.385 -61.529
  108    HE2  TYR  14           HE2      TYR  14  41.222  68.077 -64.029
  109    HH   TYR  14           HH       TYR  14  38.828  68.597 -64.043
  110    H    ASN  15           HN       ASN  15  40.897  63.218 -60.054
  111    HA   ASN  15           HA       ASN  15  39.791  63.363 -62.707
  112   1HB   ASN  15           HB2      ASN  15  39.931  61.056 -63.371
  113   2HB   ASN  15           HB1      ASN  15  41.566  61.570 -62.969
  114   1HD2  ASN  15          HD22      ASN  15  39.730  58.741 -60.671
  115   2HD2  ASN  15          HD21      ASN  15  38.855  59.560 -61.872
  116    H    ASP  16           HN       ASP  16  39.768  61.684 -59.576
  117    HA   ASP  16           HA       ASP  16  37.092  60.780 -59.617
  118   1HB   ASP  16           HB2      ASP  16  38.467  61.690 -57.105
  119   2HB   ASP  16           HB1      ASP  16  37.347  60.343 -57.320
  120    H    ASP  17           HN       ASP  17  38.318  63.539 -57.799
  121    HA   ASP  17           HA       ASP  17  36.614  65.611 -58.630
  122   1HB   ASP  17           HB2      ASP  17  35.091  63.673 -57.270
  123   2HB   ASP  17           HB1      ASP  17  35.401  64.913 -56.054
  124    H    ASP  18           HN       ASP  18  37.975  63.963 -55.859
  125    HA   ASP  18           HA       ASP  18  39.652  66.296 -55.190
  126   1HB   ASP  18           HB2      ASP  18  37.841  66.702 -53.661
  127   2HB   ASP  18           HB1      ASP  18  37.683  64.990 -53.276
  128    H    THR  19           HN       THR  19  38.833  62.868 -54.696
  129    HA   THR  19           HA       THR  19  41.006  61.924 -53.236
  130    HB   THR  19           HB       THR  19  39.383  60.748 -55.494
  131    HG1  THR  19           HG1      THR  19  38.490  59.614 -53.835
  132   1HG2  THR  19          HG21      THR  19  41.972  59.810 -54.630
  133   2HG2  THR  19          HG23      THR  19  40.730  58.639 -54.190
  134   3HG2  THR  19          HG22      THR  19  40.909  59.145 -55.870
  135    H    PHE  20           HN       PHE  20  40.989  61.405 -56.768
  136    HA   PHE  20           HA       PHE  20  42.644  61.763 -58.389
  137   1HB   PHE  20           HB2      PHE  20  44.148  63.374 -56.314
  138   2HB   PHE  20           HB1      PHE  20  44.313  63.460 -58.060
  139    HD1  PHE  20           HD2      PHE  20  41.002  63.190 -58.109
  140    HD2  PHE  20           HD1      PHE  20  43.924  65.877 -56.476
  141    HE1  PHE  20           HE2      PHE  20  39.357  65.042 -58.186
  142    HE2  PHE  20           HE1      PHE  20  42.275  67.720 -56.556
  143    HZ   PHE  20           HZ       PHE  20  39.990  67.303 -57.409
  144    H    THR  21           HN       THR  21  45.106  61.555 -58.653
  145    HA   THR  21           HA       THR  21  46.176  59.513 -56.765
  146    HB   THR  21           HB       THR  21  47.173  59.501 -59.574
  147    HG1  THR  21           HG1      THR  21  44.812  58.114 -58.834
  148   1HG2  THR  21          HG21      THR  21  46.497  57.436 -57.474
  149   2HG2  THR  21          HG23      THR  21  47.321  57.106 -58.995
  150   3HG2  THR  21          HG22      THR  21  48.095  58.118 -57.775
  151    H    VAL  22           HN       VAL  22  47.555  60.612 -55.648
  152    HA   VAL  22           HA       VAL  22  49.011  62.913 -56.693
  153    HB   VAL  22           HB       VAL  22  48.753  61.647 -53.966
  154   1HG1  VAL  22          HG12      VAL  22  50.955  62.805 -54.304
  155   2HG1  VAL  22          HG11      VAL  22  50.060  64.283 -54.657
  156   3HG1  VAL  22          HG13      VAL  22  49.941  63.538 -53.064
  157   1HG2  VAL  22          HG23      VAL  22  46.852  62.970 -55.218
  158   2HG2  VAL  22          HG22      VAL  22  47.179  63.307 -53.518
  159   3HG2  VAL  22          HG21      VAL  22  47.810  64.381 -54.767
  160    H    LYS  23           HN       LYS  23  51.019  62.879 -57.381
  161    HA   LYS  23           HA       LYS  23  52.863  60.599 -56.734
  162   1HB   LYS  23           HB2      LYS  23  52.261  61.254 -59.197
  163   2HB   LYS  23           HB1      LYS  23  53.261  62.685 -58.887
  164   1HG   LYS  23           HG2      LYS  23  54.869  60.666 -57.951
  165   2HG   LYS  23           HG1      LYS  23  54.072  59.882 -59.317
  166   1HD   LYS  23           HD2      LYS  23  55.518  60.951 -60.674
  167   2HD   LYS  23           HD1      LYS  23  54.703  62.454 -60.243
  168   1HE   LYS  23           HE2      LYS  23  56.802  61.330 -58.407
  169   2HE   LYS  23           HE1      LYS  23  57.292  62.225 -59.848
  170   1HZ   LYS  23           HZ1      LYS  23  55.423  63.233 -57.746
  171   2HZ   LYS  23           HZ3      LYS  23  57.058  63.682 -57.916
  172   3HZ   LYS  23           HZ2      LYS  23  55.930  64.096 -59.133
  173    H    VAL  24           HN       VAL  24  53.006  61.867 -54.624
  174    HA   VAL  24           HA       VAL  24  55.071  64.003 -54.897
  175    HB   VAL  24           HB       VAL  24  53.871  65.573 -53.682
  176   1HG1  VAL  24          HG12      VAL  24  51.872  64.022 -55.346
  177   2HG1  VAL  24          HG11      VAL  24  51.583  65.640 -54.714
  178   3HG1  VAL  24          HG13      VAL  24  52.874  65.365 -55.883
  179   1HG2  VAL  24          HG22      VAL  24  52.263  63.211 -52.742
  180   2HG2  VAL  24          HG21      VAL  24  53.142  64.399 -51.779
  181   3HG2  VAL  24          HG23      VAL  24  51.639  64.853 -52.581
  182    H    GLY  25           HN       GLY  25  55.416  64.746 -52.359
  183   1HA   GLY  25           HA2      GLY  25  56.452  64.074 -50.325
  184   2HA   GLY  25           HA1      GLY  25  55.352  62.699 -50.356
  185    H    ASP  26           HN       ASP  26  56.105  60.757 -50.973
  186    HA   ASP  26           HA       ASP  26  58.774  60.619 -52.243
  187   1HB   ASP  26           HB2      ASP  26  57.950  58.917 -49.867
  188   2HB   ASP  26           HB1      ASP  26  59.519  58.907 -50.670
  189    H    LYS  27           HN       LYS  27  55.682  59.956 -52.683
  190    HA   LYS  27           HA       LYS  27  56.208  57.541 -54.291
  191   1HB   LYS  27           HB2      LYS  27  54.224  57.566 -51.990
  192   2HB   LYS  27           HB1      LYS  27  54.301  56.303 -53.216
  193   1HG   LYS  27           HG2      LYS  27  56.636  57.071 -51.432
  194   2HG   LYS  27           HG1      LYS  27  55.533  55.738 -51.094
  195   1HD   LYS  27           HD2      LYS  27  56.168  54.593 -53.120
  196   2HD   LYS  27           HD1      LYS  27  57.089  55.988 -53.681
  197   1HE   LYS  27           HE2      LYS  27  57.812  54.797 -51.030
  198   2HE   LYS  27           HE1      LYS  27  58.306  53.942 -52.494
  199   1HZ   LYS  27           HZ2      LYS  27  58.753  56.844 -52.416
  200   2HZ   LYS  27           HZ1      LYS  27  59.760  55.868 -51.432
  201   3HZ   LYS  27           HZ3      LYS  27  59.706  55.603 -53.110
  202    H    GLU  28           HN       GLU  28  53.890  56.791 -55.170
  203    HA   GLU  28           HA       GLU  28  52.205  59.148 -55.816
  204   1HB   GLU  28           HB2      GLU  28  53.816  58.889 -57.672
  205   2HB   GLU  28           HB1      GLU  28  53.329  57.204 -57.856
  206   1HG   GLU  28           HG2      GLU  28  50.962  58.017 -58.249
  207   2HG   GLU  28           HG1      GLU  28  51.596  59.661 -58.292
  208    H    LEU  29           HN       LEU  29  50.038  58.587 -55.558
  209    HA   LEU  29           HA       LEU  29  48.985  56.053 -56.400
  210   1HB   LEU  29           HB2      LEU  29  49.016  54.721 -54.547
  211   2HB   LEU  29           HB1      LEU  29  50.450  55.664 -54.193
  212    HG   LEU  29           HG       LEU  29  47.668  56.108 -53.070
  213   1HD1  LEU  29          HD12      LEU  29  50.308  55.134 -51.971
  214   2HD1  LEU  29          HD11      LEU  29  49.032  55.745 -50.919
  215   3HD1  LEU  29          HD13      LEU  29  48.744  54.324 -51.921
  216   1HD2  LEU  29          HD23      LEU  29  50.044  57.870 -53.214
  217   2HD2  LEU  29          HD22      LEU  29  48.348  58.284 -52.965
  218   3HD2  LEU  29          HD21      LEU  29  49.322  57.707 -51.614
  219    H    PHE  30           HN       PHE  30  46.707  55.684 -55.528
  220    HA   PHE  30           HA       PHE  30  45.151  58.079 -55.830
  221   1HB   PHE  30           HB2      PHE  30  44.620  55.182 -55.467
  222   2HB   PHE  30           HB1      PHE  30  43.372  56.250 -54.832
  223    HD1  PHE  30           HD2      PHE  30  42.343  57.991 -56.350
  224    HD2  PHE  30           HD1      PHE  30  44.896  54.866 -57.817
  225    HE1  PHE  30           HE2      PHE  30  41.482  58.369 -58.646
  226    HE2  PHE  30           HE1      PHE  30  44.035  55.241 -60.113
  227    HZ   PHE  30           HZ       PHE  30  42.329  56.996 -60.528
  228    H    THR  31           HN       THR  31  43.768  59.038 -54.250
  229    HA   THR  31           HA       THR  31  44.375  58.378 -51.380
  230    HB   THR  31           HB       THR  31  45.967  59.999 -51.407
  231    HG1  THR  31           HG1      THR  31  43.960  61.914 -51.896
  232   1HG2  THR  31          HG21      THR  31  44.651  60.920 -53.976
  233   2HG2  THR  31          HG23      THR  31  46.085  61.689 -53.298
  234   3HG2  THR  31          HG22      THR  31  46.147  60.002 -53.806
  235    H    ASN  32           HN       ASN  32  42.457  58.386 -50.274
  236    HA   ASN  32           HA       ASN  32  40.431  60.447 -50.979
  237   1HB   ASN  32           HB2      ASN  32  38.640  58.635 -50.757
  238   2HB   ASN  32           HB1      ASN  32  39.620  58.584 -52.222
  239   1HD2  ASN  32          HD22      ASN  32  41.186  55.499 -51.375
  240   2HD2  ASN  32          HD21      ASN  32  41.269  56.865 -52.378
  241    H    ARG  33           HN       ARG  33  39.333  61.257 -49.253
  242    HA   ARG  33           HA       ARG  33  39.061  59.852 -46.712
  243   1HB   ARG  33           HB2      ARG  33  41.457  60.833 -46.718
  244   2HB   ARG  33           HB1      ARG  33  40.677  62.408 -46.602
  245   1HG   ARG  33           HG2      ARG  33  40.050  60.149 -44.680
  246   2HG   ARG  33           HG1      ARG  33  41.344  61.307 -44.380
  247   1HD   ARG  33           HD2      ARG  33  39.455  63.093 -44.843
  248   2HD   ARG  33           HD1      ARG  33  38.373  61.762 -44.440
  249    HE   ARG  33           HE       ARG  33  40.415  61.967 -42.412
  250   1HH1  ARG  33          HH21      ARG  33  37.488  63.425 -43.576
  251   2HH1  ARG  33          HH22      ARG  33  37.161  64.247 -42.078
  252   1HH2  ARG  33          HH11      ARG  33  39.984  63.051 -40.504
  253   2HH2  ARG  33          HH12      ARG  33  38.549  64.020 -40.356
  254    H    TRP  34           HN       TRP  34  39.129  63.176 -48.079
  255    HA   TRP  34           HA       TRP  34  36.336  63.577 -48.011
  256   1HB   TRP  34           HB2      TRP  34  35.770  64.357 -45.948
  257   2HB   TRP  34           HB1      TRP  34  37.114  63.344 -45.457
  258    HD1  TRP  34           HD1      TRP  34  35.799  66.556 -44.792
  259    HE1  TRP  34           HE1      TRP  34  37.579  68.224 -43.978
  260    HE3  TRP  34           HE3      TRP  34  40.055  64.090 -46.188
  261    HZ2  TRP  34           HZ2      TRP  34  40.413  68.496 -43.929
  262    HZ3  TRP  34           HZ3      TRP  34  42.277  65.077 -45.739
  263    HH2  TRP  34           HH2      TRP  34  42.465  67.275 -44.613
  264    H    ASN  35           HN       ASN  35  39.536  65.024 -47.951
  265    HA   ASN  35           HA       ASN  35  38.986  66.861 -50.031
  266   1HB   ASN  35           HB2      ASN  35  37.662  67.869 -47.997
  267   2HB   ASN  35           HB1      ASN  35  39.257  68.370 -47.436
  268   1HD2  ASN  35          HD22      ASN  35  37.582  70.222 -50.657
  269   2HD2  ASN  35          HD21      ASN  35  36.839  68.861 -49.969
  270    H    LEU  36           HN       LEU  36  41.051  65.468 -50.194
  271    HA   LEU  36           HA       LEU  36  43.366  66.366 -48.640
  272   1HB   LEU  36           HB2      LEU  36  42.781  64.283 -50.630
  273   2HB   LEU  36           HB1      LEU  36  44.387  64.990 -50.804
  274    HG   LEU  36           HG       LEU  36  43.995  64.627 -48.025
  275   1HD1  LEU  36          HD13      LEU  36  42.151  63.069 -48.639
  276   2HD1  LEU  36          HD12      LEU  36  43.292  62.136 -49.606
  277   3HD1  LEU  36          HD11      LEU  36  43.494  62.237 -47.858
  278   1HD2  LEU  36          HD21      LEU  36  45.666  63.431 -50.203
  279   2HD2  LEU  36          HD23      LEU  36  46.170  64.357 -48.790
  280   3HD2  LEU  36          HD22      LEU  36  45.693  62.668 -48.614
  281    H    GLN  37           HN       GLN  37  41.785  67.400 -51.548
  282    HA   GLN  37           HA       GLN  37  43.856  68.546 -53.076
  283   1HB   GLN  37           HB2      GLN  37  40.977  69.150 -52.605
  284   2HB   GLN  37           HB1      GLN  37  41.939  70.432 -53.339
  285   1HG   GLN  37           HG2      GLN  37  42.778  68.636 -54.974
  286   2HG   GLN  37           HG1      GLN  37  41.454  67.636 -54.369
  287   1HE2  GLN  37          HE22      GLN  37  38.930  69.533 -56.007
  288   2HE2  GLN  37          HE21      GLN  37  39.241  68.341 -54.839
  289    H    SER  38           HN       SER  38  42.043  70.015 -50.378
  290    HA   SER  38           HA       SER  38  43.337  72.520 -50.262
  291   1HB   SER  38           HB2      SER  38  41.324  71.627 -48.897
  292   2HB   SER  38           HB1      SER  38  42.536  70.988 -47.785
  293    HG   SER  38           HG       SER  38  42.305  72.967 -47.005
  294    H    LEU  39           HN       LEU  39  44.350  69.399 -48.894
  295    HA   LEU  39           HA       LEU  39  46.629  70.462 -47.451
  296   1HB   LEU  39           HB2      LEU  39  45.709  67.712 -48.263
  297   2HB   LEU  39           HB1      LEU  39  47.334  67.938 -47.616
  298    HG   LEU  39           HG       LEU  39  46.277  69.146 -45.654
  299   1HD1  LEU  39          HD11      LEU  39  43.856  68.357 -47.207
  300   2HD1  LEU  39          HD13      LEU  39  43.772  68.208 -45.453
  301   3HD1  LEU  39          HD12      LEU  39  44.128  69.770 -46.187
  302   1HD2  LEU  39          HD23      LEU  39  45.679  66.240 -46.238
  303   2HD2  LEU  39          HD22      LEU  39  47.003  66.906 -45.284
  304   3HD2  LEU  39          HD21      LEU  39  45.352  66.968 -44.667
  305    H    LEU  40           HN       LEU  40  46.248  68.844 -50.624
  306    HA   LEU  40           HA       LEU  40  49.042  68.908 -51.314
  307   1HB   LEU  40           HB2      LEU  40  46.558  68.917 -53.054
  308   2HB   LEU  40           HB1      LEU  40  48.196  68.719 -53.681
  309    HG   LEU  40           HG       LEU  40  47.239  66.951 -51.449
  310   1HD1  LEU  40          HD12      LEU  40  46.440  66.865 -54.340
  311   2HD1  LEU  40          HD11      LEU  40  46.723  65.350 -53.484
  312   3HD1  LEU  40          HD13      LEU  40  45.492  66.470 -52.906
  313   1HD2  LEU  40          HD23      LEU  40  49.161  66.611 -53.776
  314   2HD2  LEU  40          HD22      LEU  40  49.613  66.931 -52.102
  315   3HD2  LEU  40          HD21      LEU  40  48.847  65.401 -52.531
  316    H    LEU  41           HN       LEU  41  46.395  71.211 -51.795
  317    HA   LEU  41           HA       LEU  41  47.923  73.122 -53.338
  318   1HB   LEU  41           HB2      LEU  41  45.249  72.954 -52.096
  319   2HB   LEU  41           HB1      LEU  41  45.912  74.586 -52.164
  320    HG   LEU  41           HG       LEU  41  46.261  74.399 -54.562
  321   1HD1  LEU  41          HD13      LEU  41  46.675  71.821 -54.319
  322   2HD1  LEU  41          HD12      LEU  41  44.933  71.701 -54.562
  323   3HD1  LEU  41          HD11      LEU  41  45.948  72.436 -55.802
  324   1HD2  LEU  41          HD22      LEU  41  43.531  73.467 -53.634
  325   2HD2  LEU  41          HD21      LEU  41  44.049  75.130 -53.913
  326   3HD2  LEU  41          HD23      LEU  41  43.867  74.022 -55.274
  327    H    SER  42           HN       SER  42  46.637  73.479 -49.999
  328    HA   SER  42           HA       SER  42  48.110  75.703 -49.190
  329   1HB   SER  42           HB2      SER  42  48.003  74.712 -46.861
  330   2HB   SER  42           HB1      SER  42  46.459  74.785 -47.707
  331    HG   SER  42           HG       SER  42  46.534  72.629 -48.065
  332    H    ALA  43           HN       ALA  43  49.227  72.337 -49.348
  333    HA   ALA  43           HA       ALA  43  51.728  72.683 -48.020
  334   1HB   ALA  43           HB3      ALA  43  51.001  70.811 -50.311
  335   2HB   ALA  43           HB2      ALA  43  52.431  70.657 -49.288
  336   3HB   ALA  43           HB1      ALA  43  50.823  70.458 -48.593
  337    H    GLN  44           HN       GLN  44  51.332  72.401 -51.566
  338    HA   GLN  44           HA       GLN  44  53.854  73.449 -52.247
  339   1HB   GLN  44           HB2      GLN  44  51.476  72.611 -53.626
  340   2HB   GLN  44           HB1      GLN  44  52.024  74.139 -54.310
  341   1HG   GLN  44           HG2      GLN  44  54.093  72.054 -53.772
  342   2HG   GLN  44           HG1      GLN  44  53.018  71.799 -55.143
  343   1HE2  GLN  44          HE22      GLN  44  55.422  75.142 -55.249
  344   2HE2  GLN  44          HE21      GLN  44  54.880  74.585 -53.741
  345    H    ILE  45           HN       ILE  45  50.769  75.085 -51.686
  346    HA   ILE  45           HA       ILE  45  51.527  77.651 -52.656
  347    HB   ILE  45           HB       ILE  45  49.619  76.850 -50.454
  348   1HG1  ILE  45          HG12      ILE  45  49.138  77.712 -53.332
  349   2HG1  ILE  45          HG11      ILE  45  49.059  76.050 -52.748
  350   1HG2  ILE  45          HG22      ILE  45  50.234  79.530 -51.709
  351   2HG2  ILE  45          HG21      ILE  45  48.645  79.198 -51.018
  352   3HG2  ILE  45          HG23      ILE  45  50.082  79.124 -50.001
  353   1HD1  ILE  45          HD13      ILE  45  47.398  77.259 -50.970
  354   2HD1  ILE  45          HD12      ILE  45  47.131  78.273 -52.387
  355   3HD1  ILE  45          HD11      ILE  45  46.840  76.537 -52.480
  356    H    THR  46           HN       THR  46  51.535  76.372 -49.331
  357    HA   THR  46           HA       THR  46  53.073  78.633 -48.283
  358    HB   THR  46           HB       THR  46  53.058  77.332 -46.169
  359    HG1  THR  46           HG1      THR  46  51.599  75.365 -47.593
  360   1HG2  THR  46          HG22      THR  46  50.440  77.469 -47.675
  361   2HG2  THR  46          HG21      THR  46  50.555  77.156 -45.943
  362   3HG2  THR  46          HG23      THR  46  51.118  78.692 -46.601
  363    H    GLY  47           HN       GLY  47  53.690  75.286 -49.221
  364   1HA   GLY  47           HA2      GLY  47  56.547  75.859 -49.569
  365   2HA   GLY  47           HA1      GLY  47  56.192  74.698 -48.287
  366    H    MET  48           HN       MET  48  55.466  72.675 -48.813
  367    HA   MET  48           HA       MET  48  54.227  71.404 -50.723
  368   1HB   MET  48           HB2      MET  48  55.560  70.997 -52.729
  369   2HB   MET  48           HB1      MET  48  55.277  72.718 -52.537
  370   1HG   MET  48           HG2      MET  48  57.583  72.704 -51.289
  371   2HG   MET  48           HG1      MET  48  57.822  71.167 -52.119
  372   1HE   MET  48           HE1      MET  48  57.859  70.707 -54.354
  373   2HE   MET  48           HE3      MET  48  56.455  71.528 -55.048
  374   3HE   MET  48           HE2      MET  48  58.061  71.805 -55.715
  375    H    THR  49           HN       THR  49  54.922  70.414 -48.432
  376    HA   THR  49           HA       THR  49  56.092  67.895 -49.022
  377    HB   THR  49           HB       THR  49  58.228  68.953 -49.225
  378    HG1  THR  49           HG1      THR  49  58.103  67.936 -46.576
  379   1HG2  THR  49          HG21      THR  49  57.613  70.250 -46.550
  380   2HG2  THR  49          HG23      THR  49  59.173  70.331 -47.368
  381   3HG2  THR  49          HG22      THR  49  57.752  71.069 -48.105
  382    H    VAL  50           HN       VAL  50  53.930  67.931 -47.910
  383    HA   VAL  50           HA       VAL  50  53.876  68.338 -45.017
  384    HB   VAL  50           HB       VAL  50  51.575  67.685 -45.154
  385   1HG1  VAL  50          HG12      VAL  50  52.440  69.714 -46.571
  386   2HG1  VAL  50          HG11      VAL  50  51.921  68.710 -47.924
  387   3HG1  VAL  50          HG13      VAL  50  50.760  69.189 -46.687
  388   1HG2  VAL  50          HG23      VAL  50  52.582  65.959 -47.274
  389   2HG2  VAL  50          HG22      VAL  50  51.158  65.768 -46.259
  390   3HG2  VAL  50          HG21      VAL  50  51.078  66.761 -47.713
  391    H    THR  51           HN       THR  51  52.310  65.874 -44.487
  392    HA   THR  51           HA       THR  51  54.425  63.838 -44.764
  393    HB   THR  51           HB       THR  51  52.818  64.253 -42.234
  394    HG1  THR  51           HG1      THR  51  55.515  64.883 -42.829
  395   1HG2  THR  51          HG22      THR  51  53.651  61.923 -42.810
  396   2HG2  THR  51          HG21      THR  51  55.285  62.568 -42.672
  397   3HG2  THR  51          HG23      THR  51  54.216  62.574 -41.271
  398    H    ILE  52           HN       ILE  52  53.578  62.213 -45.954
  399    HA   ILE  52           HA       ILE  52  50.631  61.714 -45.815
  400    HB   ILE  52           HB       ILE  52  52.663  60.515 -47.726
  401   1HG1  ILE  52          HG12      ILE  52  52.646  62.918 -48.043
  402   2HG1  ILE  52          HG11      ILE  52  51.707  62.192 -49.348
  403   1HG2  ILE  52          HG23      ILE  52  50.453  59.322 -47.394
  404   2HG2  ILE  52          HG22      ILE  52  49.653  60.781 -47.980
  405   3HG2  ILE  52          HG21      ILE  52  50.740  59.885 -49.041
  406   1HD1  ILE  52          HD12      ILE  52  49.725  62.551 -47.592
  407   2HD1  ILE  52          HD11      ILE  52  50.796  63.834 -47.031
  408   3HD1  ILE  52          HD13      ILE  52  50.225  63.829 -48.700
  409    H    LYS  53           HN       LYS  53  49.837  59.942 -44.709
  410    HA   LYS  53           HA       LYS  53  51.489  57.530 -44.405
  411   1HB   LYS  53           HB2      LYS  53  51.321  57.677 -41.879
  412   2HB   LYS  53           HB1      LYS  53  52.463  58.781 -42.641
  413   1HG   LYS  53           HG2      LYS  53  51.154  60.640 -42.217
  414   2HG   LYS  53           HG1      LYS  53  49.658  59.703 -42.209
  415   1HD   LYS  53           HD2      LYS  53  49.878  59.102 -40.009
  416   2HD   LYS  53           HD1      LYS  53  51.634  59.023 -40.103
  417   1HE   LYS  53           HE2      LYS  53  51.781  61.466 -40.067
  418   2HE   LYS  53           HE1      LYS  53  50.017  61.584 -40.043
  419   1HZ   LYS  53           HZ3      LYS  53  51.611  60.110 -37.994
  420   2HZ   LYS  53           HZ2      LYS  53  51.087  61.740 -37.812
  421   3HZ   LYS  53           HZ1      LYS  53  49.921  60.481 -37.944
  422    H    THR  54           HN       THR  54  50.439  56.003 -42.726
  423    HA   THR  54           HA       THR  54  48.666  54.695 -42.027
  424    HB   THR  54           HB       THR  54  46.689  55.718 -41.267
  425    HG1  THR  54           HG1      THR  54  47.222  57.709 -43.225
  426   1HG2  THR  54          HG23      THR  54  48.850  56.582 -40.266
  427   2HG2  THR  54          HG22      THR  54  48.675  57.995 -41.304
  428   3HG2  THR  54          HG21      THR  54  47.459  57.648 -40.077
  429    H    ASN  55           HN       ASN  55  46.687  53.631 -42.727
  430    HA   ASN  55           HA       ASN  55  45.462  52.491 -44.345
  431   1HB   ASN  55           HB2      ASN  55  44.623  54.918 -44.597
  432   2HB   ASN  55           HB1      ASN  55  45.625  54.977 -46.045
  433   1HD2  ASN  55          HD22      ASN  55  42.400  52.420 -46.034
  434   2HD2  ASN  55          HD21      ASN  55  43.124  52.825 -44.555
  435    H    ALA  56           HN       ALA  56  48.037  51.729 -44.461
  436    HA   ALA  56           HA       ALA  56  49.439  50.509 -45.919
  437   1HB   ALA  56           HB2      ALA  56  47.103  50.699 -47.357
  438   2HB   ALA  56           HB1      ALA  56  48.253  51.486 -48.436
  439   3HB   ALA  56           HB3      ALA  56  48.542  49.833 -47.894
  440    H    CYS  57           HN       CYS  57  48.531  53.592 -47.510
  441    HA   CYS  57           HA       CYS  57  49.871  55.402 -48.196
  442   1HB   CYS  57           HB2      CYS  57  50.922  55.251 -45.978
  443   2HB   CYS  57           HB1      CYS  57  52.001  53.988 -46.558
  444    H    HIS  58           HN       HIS  58  49.661  52.748 -49.612
  445    HA   HIS  58           HA       HIS  58  51.678  53.296 -51.675
  446   1HB   HIS  58           HB2      HIS  58  51.976  51.124 -49.745
  447   2HB   HIS  58           HB1      HIS  58  51.863  50.502 -51.392
  448    HD1  HIS  58           HD1      HIS  58  53.837  50.909 -52.947
  449    HD2  HIS  58           HD2      HIS  58  54.201  52.950 -49.331
  450    HE1  HIS  58           HE1      HIS  58  56.197  51.831 -52.878
  451    H    ASN  59           HN       ASN  59  50.424  53.299 -53.501
  452    HA   ASN  59           HA       ASN  59  48.726  52.740 -55.029
  453   1HB   ASN  59           HB2      ASN  59  49.992  50.529 -54.886
  454   2HB   ASN  59           HB1      ASN  59  48.782  50.005 -53.715
  455   1HD2  ASN  59          HD22      ASN  59  46.525  49.115 -56.246
  456   2HD2  ASN  59          HD21      ASN  59  47.065  48.904 -54.652
  457    H    GLY  60           HN       GLY  60  47.297  54.197 -53.837
  458   1HA   GLY  60           HA2      GLY  60  45.152  54.647 -52.937
  459   2HA   GLY  60           HA1      GLY  60  44.872  52.901 -52.852
  460    H    GLY  61           HN       GLY  61  46.948  55.395 -51.340
  461   1HA   GLY  61           HA2      GLY  61  46.452  54.081 -48.708
  462   2HA   GLY  61           HA1      GLY  61  48.089  54.476 -49.196
  463    H    GLY  62           HN       GLY  62  47.726  55.675 -46.984
  464   1HA   GLY  62           HA2      GLY  62  47.695  57.767 -45.920
  465   2HA   GLY  62           HA1      GLY  62  47.650  58.500 -47.523
  466    H    PHE  63           HN       PHE  63  45.688  57.347 -44.844
  467    HA   PHE  63           HA       PHE  63  43.232  58.153 -46.305
  468   1HB   PHE  63           HB2      PHE  63  43.211  55.972 -45.161
  469   2HB   PHE  63           HB1      PHE  63  43.536  56.763 -43.621
  470    HD1  PHE  63           HD2      PHE  63  41.184  57.249 -46.520
  471    HD2  PHE  63           HD1      PHE  63  41.671  57.044 -42.255
  472    HE1  PHE  63           HE2      PHE  63  38.758  57.655 -46.222
  473    HE2  PHE  63           HE1      PHE  63  39.241  57.452 -41.959
  474    HZ   PHE  63           HZ       PHE  63  37.786  57.758 -43.943
  475    H    SER  64           HN       SER  64  43.761  58.499 -42.765
  476    HA   SER  64           HA       SER  64  43.117  61.389 -43.144
  477   1HB   SER  64           HB2      SER  64  41.356  59.755 -42.092
  478   2HB   SER  64           HB1      SER  64  42.341  59.941 -40.644
  479    HG   SER  64           HG       SER  64  41.888  62.076 -40.589
  480    H    GLU  65           HN       GLU  65  45.880  60.480 -42.918
  481    HA   GLU  65           HA       GLU  65  46.498  62.006 -40.445
  482   1HB   GLU  65           HB2      GLU  65  47.424  59.246 -41.143
  483   2HB   GLU  65           HB1      GLU  65  48.491  60.315 -40.228
  484   1HG   GLU  65           HG2      GLU  65  45.689  60.273 -39.289
  485   2HG   GLU  65           HG1      GLU  65  46.547  58.747 -39.090
  486    H    VAL  66           HN       VAL  66  47.295  63.800 -41.452
  487    HA   VAL  66           HA       VAL  66  49.729  63.427 -43.099
  488    HB   VAL  66           HB       VAL  66  47.275  64.934 -44.031
  489   1HG1  VAL  66          HG11      VAL  66  49.380  66.262 -44.378
  490   2HG1  VAL  66          HG13      VAL  66  50.020  64.906 -45.306
  491   3HG1  VAL  66          HG12      VAL  66  48.600  65.775 -45.882
  492   1HG2  VAL  66          HG23      VAL  66  48.796  62.506 -44.916
  493   2HG2  VAL  66          HG22      VAL  66  47.052  62.752 -44.818
  494   3HG2  VAL  66          HG21      VAL  66  47.975  63.487 -46.130
  495    H    ILE  67           HN       ILE  67  51.262  64.986 -42.681
  496    HA   ILE  67           HA       ILE  67  50.425  67.154 -40.808
  497    HB   ILE  67           HB       ILE  67  53.112  65.873 -41.289
  498   1HG1  ILE  67          HG12      ILE  67  52.184  66.199 -38.579
  499   2HG1  ILE  67          HG11      ILE  67  50.950  65.413 -39.559
  500   1HG2  ILE  67          HG22      ILE  67  52.997  68.497 -40.931
  501   2HG2  ILE  67          HG21      ILE  67  52.642  68.038 -39.266
  502   3HG2  ILE  67          HG23      ILE  67  54.152  67.532 -40.020
  503   1HD1  ILE  67          HD13      ILE  67  53.842  64.527 -39.424
  504   2HD1  ILE  67          HD12      ILE  67  52.517  63.762 -38.548
  505   3HD1  ILE  67          HD11      ILE  67  52.546  63.727 -40.311
  506    H    PHE  68           HN       PHE  68  50.249  69.156 -41.598
  507    HA   PHE  68           HA       PHE  68  50.966  69.799 -44.304
  508   1HB   PHE  68           HB2      PHE  68  50.362  71.832 -42.164
  509   2HB   PHE  68           HB1      PHE  68  50.101  71.974 -43.902
  510    HD1  PHE  68           HD1      PHE  68  49.180  68.864 -43.893
  511    HD2  PHE  68           HD2      PHE  68  47.948  72.442 -41.875
  512    HE1  PHE  68           HE1      PHE  68  46.937  67.907 -43.596
  513    HE2  PHE  68           HE2      PHE  68  45.689  71.492 -41.574
  514    HZ   PHE  68           HZ       PHE  68  45.164  69.222 -42.441
  515    H    ARG  69           HN       ARG  69  52.459  71.095 -45.156
  516    HA   ARG  69           HA       ARG  69  54.253  72.897 -44.367
  517   1HB   ARG  69           HB2      ARG  69  55.002  70.354 -43.087
  518   2HB   ARG  69           HB1      ARG  69  56.317  71.108 -43.983
  519   1HG   ARG  69           HG2      ARG  69  54.781  72.182 -41.623
  520   2HG   ARG  69           HG1      ARG  69  56.522  72.088 -41.850
  521   1HD   ARG  69           HD2      ARG  69  54.579  74.057 -43.073
  522   2HD   ARG  69           HD1      ARG  69  55.988  74.392 -42.074
  523    HE   ARG  69           HE       ARG  69  56.039  74.218 -44.901
  524   1HH1  ARG  69          HH11      ARG  69  58.122  74.691 -42.464
  525   2HH1  ARG  69          HH12      ARG  69  59.436  73.771 -43.134
  526   1HH2  ARG  69          HH21      ARG  69  57.461  72.292 -45.587
  527   2HH2  ARG  69          HH22      ARG  69  59.063  72.398 -44.910
   
  No H/Q in entry =         527
  Start of MODEL    4
    1   1H    THR   1           HT1      THR   1  47.483  89.289 -20.177
    2   2H    THR   1           HT3      THR   1  47.285  90.050 -21.683
    3   3H    THR   1           HT2      THR   1  46.478  90.654 -20.314
    4    HA   THR   1           HA       THR   1  44.848  89.099 -20.388
    5    HB   THR   1           HB       THR   1  44.905  88.250 -23.012
    6    HG1  THR   1           HG1      THR   1  46.711  89.196 -23.681
    7   1HG2  THR   1          HG23      THR   1  44.073  90.943 -21.900
    8   2HG2  THR   1          HG22      THR   1  43.578  90.312 -23.469
    9   3HG2  THR   1          HG21      THR   1  43.078  89.489 -21.992
   10    HA   PRO   2           HA       PRO   2  46.062  84.870 -20.177
   11   1HB   PRO   2           HB2      PRO   2  43.789  83.589 -21.053
   12   2HB   PRO   2           HB1      PRO   2  43.921  84.378 -19.471
   13   1HG   PRO   2           HG2      PRO   2  42.462  85.291 -21.906
   14   2HG   PRO   2           HG1      PRO   2  42.149  85.666 -20.203
   15   1HD   PRO   2           HD2      PRO   2  43.436  87.360 -22.072
   16   2HD   PRO   2           HD1      PRO   2  43.385  87.586 -20.309
   17    H    ASP   3           HN       ASP   3  47.336  85.819 -22.362
   18    HA   ASP   3           HA       ASP   3  46.513  84.316 -24.756
   19   1HB   ASP   3           HB2      ASP   3  49.035  85.943 -24.464
   20   2HB   ASP   3           HB1      ASP   3  48.146  85.563 -25.937
   21    H    CYS   4           HN       CYS   4  49.475  83.954 -25.552
   22    HA   CYS   4           HA       CYS   4  50.612  82.123 -23.629
   23   1HB   CYS   4           HB2      CYS   4  48.760  80.702 -24.204
   24   2HB   CYS   4           HB1      CYS   4  49.073  80.922 -25.922
   25    H    VAL   5           HN       VAL   5  50.586  81.345 -27.107
   26    HA   VAL   5           HA       VAL   5  53.387  82.406 -27.277
   27    HB   VAL   5           HB       VAL   5  54.075  80.314 -28.372
   28   1HG1  VAL   5          HG13      VAL   5  53.348  80.599 -25.642
   29   2HG1  VAL   5          HG12      VAL   5  52.911  78.961 -26.128
   30   3HG1  VAL   5          HG11      VAL   5  54.567  79.530 -26.333
   31   1HG2  VAL   5          HG21      VAL   5  51.777  79.833 -29.326
   32   2HG2  VAL   5          HG23      VAL   5  52.568  78.435 -28.598
   33   3HG2  VAL   5          HG22      VAL   5  51.296  79.284 -27.720
   34    H    THR   6           HN       THR   6  53.970  81.457 -29.841
   35    HA   THR   6           HA       THR   6  52.220  83.144 -31.528
   36    HB   THR   6           HB       THR   6  54.105  83.012 -33.116
   37    HG1  THR   6           HG1      THR   6  55.319  81.511 -31.025
   38   1HG2  THR   6          HG23      THR   6  54.027  84.261 -30.549
   39   2HG2  THR   6          HG22      THR   6  55.702  83.922 -30.987
   40   3HG2  THR   6          HG21      THR   6  54.688  84.888 -32.060
   41    H    GLY   7           HN       GLY   7  52.358  82.140 -33.992
   42   1HA   GLY   7           HA2      GLY   7  51.796  79.226 -33.811
   43   2HA   GLY   7           HA1      GLY   7  50.516  80.270 -34.395
   44    H    LYS   8           HN       LYS   8  53.941  79.547 -35.067
   45    HA   LYS   8           HA       LYS   8  53.772  80.306 -37.860
   46   1HB   LYS   8           HB2      LYS   8  55.845  78.550 -36.490
   47   2HB   LYS   8           HB1      LYS   8  56.011  79.314 -38.068
   48   1HG   LYS   8           HG2      LYS   8  57.161  80.823 -36.749
   49   2HG   LYS   8           HG1      LYS   8  55.545  81.510 -36.699
   50   1HD   LYS   8           HD2      LYS   8  55.240  81.012 -34.515
   51   2HD   LYS   8           HD1      LYS   8  56.066  79.460 -34.659
   52   1HE   LYS   8           HE2      LYS   8  58.245  80.621 -34.682
   53   2HE   LYS   8           HE1      LYS   8  57.413  82.173 -34.523
   54   1HZ   LYS   8           HZ2      LYS   8  56.413  81.380 -32.451
   55   2HZ   LYS   8           HZ1      LYS   8  57.287  79.907 -32.589
   56   3HZ   LYS   8           HZ3      LYS   8  58.124  81.376 -32.358
   57    H    VAL   9           HN       VAL   9  55.122  77.617 -38.690
   58    HA   VAL   9           HA       VAL   9  52.984  75.660 -38.197
   59    HB   VAL   9           HB       VAL   9  53.429  76.779 -40.945
   60   1HG1  VAL   9          HG11      VAL   9  52.355  74.253 -39.965
   61   2HG1  VAL   9          HG13      VAL   9  51.186  75.133 -40.950
   62   3HG1  VAL   9          HG12      VAL   9  52.771  74.730 -41.612
   63   1HG2  VAL   9          HG22      VAL   9  51.181  76.971 -38.941
   64   2HG2  VAL   9          HG21      VAL   9  52.071  78.292 -39.698
   65   3HG2  VAL   9          HG23      VAL   9  50.947  77.325 -40.652
   66    H    GLU  10           HN       GLU  10  55.362  74.828 -37.455
   67    HA   GLU  10           HA       GLU  10  56.629  73.687 -39.884
   68   1HB   GLU  10           HB2      GLU  10  57.625  74.474 -37.202
   69   2HB   GLU  10           HB1      GLU  10  58.330  72.996 -37.854
   70   1HG   GLU  10           HG2      GLU  10  59.429  75.326 -38.415
   71   2HG   GLU  10           HG1      GLU  10  59.302  74.096 -39.667
   72    H    TYR  11           HN       TYR  11  54.413  72.409 -39.652
   73    HA   TYR  11           HA       TYR  11  54.332  69.852 -39.803
   74   1HB   TYR  11           HB2      TYR  11  56.217  69.473 -38.306
   75   2HB   TYR  11           HB1      TYR  11  55.331  70.162 -36.958
   76    HD1  TYR  11           HD2      TYR  11  53.129  68.929 -36.244
   77    HD2  TYR  11           HD1      TYR  11  56.181  67.188 -38.712
   78    HE1  TYR  11           HE2      TYR  11  52.337  66.670 -35.626
   79    HE2  TYR  11           HE1      TYR  11  55.393  64.926 -38.080
   80    HH   TYR  11           HH       TYR  11  53.485  64.293 -35.517
   81    H    THR  12           HN       THR  12  52.105  69.974 -40.107
   82    HA   THR  12           HA       THR  12  50.406  70.461 -37.633
   83    HB   THR  12           HB       THR  12  49.952  71.006 -40.566
   84    HG1  THR  12           HG1      THR  12  49.792  73.107 -39.846
   85   1HG2  THR  12          HG21      THR  12  48.038  70.679 -38.312
   86   2HG2  THR  12          HG23      THR  12  47.721  71.955 -39.486
   87   3HG2  THR  12          HG22      THR  12  47.847  70.278 -40.019
   88    H    LYS  13           HN       LYS  13  50.360  68.212 -37.080
   89    HA   LYS  13           HA       LYS  13  49.741  66.120 -38.965
   90   1HB   LYS  13           HB2      LYS  13  50.935  65.716 -36.846
   91   2HB   LYS  13           HB1      LYS  13  49.485  66.160 -35.949
   92   1HG   LYS  13           HG2      LYS  13  48.490  64.254 -37.644
   93   2HG   LYS  13           HG1      LYS  13  50.126  63.652 -37.371
   94   1HD   LYS  13           HD2      LYS  13  49.443  62.855 -35.377
   95   2HD   LYS  13           HD1      LYS  13  49.208  64.520 -34.847
   96   1HE   LYS  13           HE2      LYS  13  47.100  63.119 -36.476
   97   2HE   LYS  13           HE1      LYS  13  47.184  62.889 -34.730
   98   1HZ   LYS  13           HZ1      LYS  13  46.993  65.529 -36.105
   99   2HZ   LYS  13           HZ3      LYS  13  45.683  64.702 -35.372
  100   3HZ   LYS  13           HZ2      LYS  13  46.997  65.277 -34.401
  101    H    TYR  14           HN       TYR  14  47.826  66.582 -40.106
  102    HA   TYR  14           HA       TYR  14  45.358  67.107 -38.585
  103   1HB   TYR  14           HB2      TYR  14  44.580  67.982 -40.514
  104   2HB   TYR  14           HB1      TYR  14  46.165  67.699 -41.211
  105    HD1  TYR  14           HD1      TYR  14  42.739  66.340 -40.826
  106    HD2  TYR  14           HD2      TYR  14  46.545  65.847 -42.745
  107    HE1  TYR  14           HE1      TYR  14  41.743  64.670 -42.357
  108    HE2  TYR  14           HE2      TYR  14  45.542  64.170 -44.283
  109    HH   TYR  14           HH       TYR  14  43.715  62.854 -44.658
  110    H    ASN  15           HN       ASN  15  43.592  65.730 -38.506
  111    HA   ASN  15           HA       ASN  15  43.541  63.109 -39.684
  112   1HB   ASN  15           HB2      ASN  15  43.859  61.728 -37.744
  113   2HB   ASN  15           HB1      ASN  15  45.234  62.824 -37.806
  114   1HD2  ASN  15          HD22      ASN  15  42.570  63.121 -34.730
  115   2HD2  ASN  15          HD21      ASN  15  42.240  62.098 -36.043
  116    H    ASP  16           HN       ASP  16  42.326  65.216 -37.097
  117    HA   ASP  16           HA       ASP  16  39.815  63.986 -36.697
  118   1HB   ASP  16           HB2      ASP  16  40.244  66.956 -36.515
  119   2HB   ASP  16           HB1      ASP  16  39.205  65.935 -35.519
  120    H    ASP  17           HN       ASP  17  40.386  66.975 -38.473
  121    HA   ASP  17           HA       ASP  17  39.178  66.440 -40.952
  122   1HB   ASP  17           HB2      ASP  17  37.198  66.425 -38.953
  123   2HB   ASP  17           HB1      ASP  17  37.083  68.035 -39.664
  124    H    ASP  18           HN       ASP  18  39.371  68.710 -38.296
  125    HA   ASP  18           HA       ASP  18  40.782  70.683 -39.977
  126   1HB   ASP  18           HB2      ASP  18  38.559  71.582 -40.158
  127   2HB   ASP  18           HB1      ASP  18  38.201  71.238 -38.468
  128    H    THR  19           HN       THR  19  39.703  69.603 -36.760
  129    HA   THR  19           HA       THR  19  41.161  71.230 -35.039
  130    HB   THR  19           HB       THR  19  40.407  68.310 -34.967
  131    HG1  THR  19           HG1      THR  19  38.932  69.054 -33.544
  132   1HG2  THR  19          HG21      THR  19  42.363  69.682 -33.223
  133   2HG2  THR  19          HG23      THR  19  41.095  68.797 -32.378
  134   3HG2  THR  19          HG22      THR  19  42.137  67.961 -33.529
  135    H    PHE  20           HN       PHE  20  42.421  67.960 -35.712
  136    HA   PHE  20           HA       PHE  20  44.568  67.226 -36.305
  137   1HB   PHE  20           HB2      PHE  20  45.266  70.117 -36.869
  138   2HB   PHE  20           HB1      PHE  20  46.065  68.684 -37.493
  139    HD1  PHE  20           HD2      PHE  20  42.998  67.454 -37.804
  140    HD2  PHE  20           HD1      PHE  20  45.214  70.816 -39.286
  141    HE1  PHE  20           HE2      PHE  20  41.565  67.519 -39.823
  142    HE2  PHE  20           HE1      PHE  20  43.779  70.876 -41.299
  143    HZ   PHE  20           HZ       PHE  20  41.951  69.230 -41.568
  144    H    THR  21           HN       THR  21  46.941  67.725 -35.787
  145    HA   THR  21           HA       THR  21  47.171  68.968 -33.089
  146    HB   THR  21           HB       THR  21  49.115  66.835 -33.840
  147    HG1  THR  21           HG1      THR  21  46.575  66.229 -32.721
  148   1HG2  THR  21          HG23      THR  21  49.179  68.266 -31.794
  149   2HG2  THR  21          HG22      THR  21  47.636  67.567 -31.307
  150   3HG2  THR  21          HG21      THR  21  49.066  66.544 -31.432
  151    H    VAL  22           HN       VAL  22  48.088  70.796 -33.520
  152    HA   VAL  22           HA       VAL  22  49.912  71.203 -35.759
  153    HB   VAL  22           HB       VAL  22  48.642  73.027 -33.716
  154   1HG1  VAL  22          HG11      VAL  22  50.825  73.913 -34.531
  155   2HG1  VAL  22          HG13      VAL  22  50.219  73.785 -36.183
  156   3HG1  VAL  22          HG12      VAL  22  49.451  74.890 -35.044
  157   1HG2  VAL  22          HG22      VAL  22  47.314  71.828 -35.609
  158   2HG2  VAL  22          HG21      VAL  22  47.094  73.565 -35.400
  159   3HG2  VAL  22          HG23      VAL  22  48.138  72.956 -36.684
  160    H    LYS  23           HN       LYS  23  52.030  71.276 -35.626
  161    HA   LYS  23           HA       LYS  23  53.425  71.582 -32.985
  162   1HB   LYS  23           HB2      LYS  23  53.776  69.477 -34.507
  163   2HB   LYS  23           HB1      LYS  23  54.659  70.596 -35.561
  164   1HG   LYS  23           HG2      LYS  23  55.729  71.187 -33.105
  165   2HG   LYS  23           HG1      LYS  23  55.445  69.451 -32.960
  166   1HD   LYS  23           HD2      LYS  23  57.334  69.129 -34.145
  167   2HD   LYS  23           HD1      LYS  23  56.483  69.785 -35.543
  168   1HE   LYS  23           HE2      LYS  23  57.710  71.668 -33.549
  169   2HE   LYS  23           HE1      LYS  23  58.738  70.893 -34.756
  170   1HZ   LYS  23           HZ2      LYS  23  56.268  72.462 -35.361
  171   2HZ   LYS  23           HZ1      LYS  23  57.867  73.037 -35.521
  172   3HZ   LYS  23           HZ3      LYS  23  57.323  71.757 -36.509
  173    H    VAL  24           HN       VAL  24  52.833  73.928 -33.458
  174    HA   VAL  24           HA       VAL  24  54.941  75.150 -35.181
  175    HB   VAL  24           HB       VAL  24  53.447  76.380 -36.458
  176   1HG1  VAL  24          HG12      VAL  24  52.114  73.720 -35.884
  177   2HG1  VAL  24          HG11      VAL  24  51.710  74.756 -37.250
  178   3HG1  VAL  24          HG13      VAL  24  53.318  74.045 -37.126
  179   1HG2  VAL  24          HG21      VAL  24  51.647  75.984 -34.122
  180   2HG2  VAL  24          HG23      VAL  24  51.931  77.430 -35.091
  181   3HG2  VAL  24          HG22      VAL  24  50.882  76.152 -35.701
  182    H    GLY  25           HN       GLY  25  54.366  77.748 -34.981
  183   1HA   GLY  25           HA2      GLY  25  54.541  79.613 -33.506
  184   2HA   GLY  25           HA1      GLY  25  53.488  78.708 -32.420
  185    H    ASP  26           HN       ASP  26  54.352  77.717 -30.696
  186    HA   ASP  26           HA       ASP  26  57.295  77.428 -30.559
  187   1HB   ASP  26           HB2      ASP  26  55.620  78.608 -28.317
  188   2HB   ASP  26           HB1      ASP  26  57.374  78.416 -28.329
  189    H    LYS  27           HN       LYS  27  54.563  75.791 -30.596
  190    HA   LYS  27           HA       LYS  27  55.545  73.681 -28.786
  191   1HB   LYS  27           HB2      LYS  27  52.858  75.044 -28.388
  192   2HB   LYS  27           HB1      LYS  27  53.336  73.544 -27.598
  193   1HG   LYS  27           HG2      LYS  27  54.889  76.140 -27.351
  194   2HG   LYS  27           HG1      LYS  27  53.679  75.608 -26.186
  195   1HD   LYS  27           HD2      LYS  27  54.943  73.626 -25.656
  196   2HD   LYS  27           HD1      LYS  27  56.068  73.926 -26.980
  197   1HE   LYS  27           HE2      LYS  27  55.738  76.058 -24.905
  198   2HE   LYS  27           HE1      LYS  27  56.679  74.625 -24.486
  199   1HZ   LYS  27           HZ1      LYS  27  57.210  75.873 -27.092
  200   2HZ   LYS  27           HZ3      LYS  27  57.755  76.703 -25.700
  201   3HZ   LYS  27           HZ2      LYS  27  58.286  75.114 -25.995
  202    H    GLU  28           HN       GLU  28  53.660  71.893 -28.756
  203    HA   GLU  28           HA       GLU  28  52.425  71.632 -31.442
  204   1HB   GLU  28           HB2      GLU  28  54.580  70.438 -31.551
  205   2HB   GLU  28           HB1      GLU  28  54.151  69.525 -30.105
  206   1HG   GLU  28           HG2      GLU  28  52.119  68.666 -31.340
  207   2HG   GLU  28           HG1      GLU  28  52.747  69.434 -32.797
  208    H    LEU  29           HN       LEU  29  50.291  70.939 -31.193
  209    HA   LEU  29           HA       LEU  29  49.527  68.945 -29.277
  210   1HB   LEU  29           HB2      LEU  29  48.838  70.089 -27.428
  211   2HB   LEU  29           HB1      LEU  29  50.067  71.220 -27.965
  212    HG   LEU  29           HG       LEU  29  47.083  71.425 -28.474
  213   1HD1  LEU  29          HD11      LEU  29  49.077  72.877 -26.732
  214   2HD1  LEU  29          HD13      LEU  29  47.544  73.615 -27.191
  215   3HD1  LEU  29          HD12      LEU  29  47.558  72.121 -26.255
  216   1HD2  LEU  29          HD21      LEU  29  49.413  73.095 -29.445
  217   2HD2  LEU  29          HD23      LEU  29  48.151  72.338 -30.415
  218   3HD2  LEU  29          HD22      LEU  29  47.762  73.710 -29.381
  219    H    PHE  30           HN       PHE  30  47.068  68.834 -29.023
  220    HA   PHE  30           HA       PHE  30  45.828  68.920 -31.616
  221   1HB   PHE  30           HB2      PHE  30  45.097  68.006 -28.895
  222   2HB   PHE  30           HB1      PHE  30  43.738  68.547 -29.877
  223    HD1  PHE  30           HD2      PHE  30  43.376  67.514 -32.162
  224    HD2  PHE  30           HD1      PHE  30  46.201  65.944 -29.336
  225    HE1  PHE  30           HE2      PHE  30  43.423  65.368 -33.406
  226    HE2  PHE  30           HE1      PHE  30  46.250  63.798 -30.576
  227    HZ   PHE  30           HZ       PHE  30  44.860  63.508 -32.613
  228    H    THR  31           HN       THR  31  43.996  70.196 -32.225
  229    HA   THR  31           HA       THR  31  43.487  72.657 -30.570
  230    HB   THR  31           HB       THR  31  45.045  73.741 -31.820
  231    HG1  THR  31           HG1      THR  31  43.351  73.351 -34.051
  232   1HG2  THR  31          HG21      THR  31  44.776  71.422 -33.751
  233   2HG2  THR  31          HG23      THR  31  45.908  72.753 -33.988
  234   3HG2  THR  31          HG22      THR  31  46.069  71.699 -32.584
  235    H    ASN  32           HN       ASN  32  41.299  72.975 -30.520
  236    HA   ASN  32           HA       ASN  32  39.746  72.460 -33.009
  237   1HB   ASN  32           HB2      ASN  32  37.928  71.423 -31.537
  238   2HB   ASN  32           HB1      ASN  32  39.364  70.438 -31.813
  239   1HD2  ASN  32          HD22      ASN  32  40.413  70.564 -28.411
  240   2HD2  ASN  32          HD21      ASN  32  40.905  70.219 -29.997
  241    H    ARG  33           HN       ARG  33  38.135  73.910 -33.384
  242    HA   ARG  33           HA       ARG  33  36.917  75.541 -31.295
  243   1HB   ARG  33           HB2      ARG  33  39.190  76.658 -31.835
  244   2HB   ARG  33           HB1      ARG  33  38.471  77.073 -33.389
  245   1HG   ARG  33           HG2      ARG  33  37.121  77.739 -30.758
  246   2HG   ARG  33           HG1      ARG  33  38.261  78.837 -31.533
  247   1HD   ARG  33           HD2      ARG  33  36.738  78.480 -33.649
  248   2HD   ARG  33           HD1      ARG  33  35.534  77.974 -32.466
  249    HE   ARG  33           HE       ARG  33  36.688  80.481 -31.630
  250   1HH1  ARG  33          HH21      ARG  33  34.420  79.047 -33.834
  251   2HH1  ARG  33          HH22      ARG  33  33.618  80.555 -34.174
  252   1HH2  ARG  33          HH11      ARG  33  35.663  82.404 -32.102
  253   2HH2  ARG  33          HH12      ARG  33  34.293  82.424 -33.172
  254    H    TRP  34           HN       TRP  34  37.590  75.579 -34.828
  255    HA   TRP  34           HA       TRP  34  34.974  74.875 -35.633
  256   1HB   TRP  34           HB2      TRP  34  33.732  76.780 -35.773
  257   2HB   TRP  34           HB1      TRP  34  34.773  77.274 -34.451
  258    HD1  TRP  34           HD1      TRP  34  33.430  78.591 -37.445
  259    HE1  TRP  34           HE1      TRP  34  34.856  80.485 -38.439
  260    HE3  TRP  34           HE3      TRP  34  37.801  77.863 -34.895
  261    HZ2  TRP  34           HZ2      TRP  34  37.489  81.550 -38.207
  262    HZ3  TRP  34           HZ3      TRP  34  39.745  79.336 -35.301
  263    HH2  TRP  34           HH2      TRP  34  39.600  81.177 -36.953
  264    H    ASN  35           HN       ASN  35  37.985  76.496 -36.436
  265    HA   ASN  35           HA       ASN  35  38.300  75.174 -38.917
  266   1HB   ASN  35           HB2      ASN  35  36.365  76.870 -39.415
  267   2HB   ASN  35           HB1      ASN  35  37.653  78.075 -39.420
  268   1HD2  ASN  35          HD22      ASN  35  37.371  75.414 -42.491
  269   2HD2  ASN  35          HD21      ASN  35  36.368  75.265 -41.132
  270    H    LEU  36           HN       LEU  36  40.229  75.198 -37.326
  271    HA   LEU  36           HA       LEU  36  41.852  77.635 -37.271
  272   1HB   LEU  36           HB2      LEU  36  41.962  74.944 -36.086
  273   2HB   LEU  36           HB1      LEU  36  43.544  75.585 -36.530
  274    HG   LEU  36           HG       LEU  36  42.128  77.734 -35.345
  275   1HD1  LEU  36          HD12      LEU  36  41.868  75.133 -33.812
  276   2HD1  LEU  36          HD11      LEU  36  41.687  76.725 -33.076
  277   3HD1  LEU  36          HD13      LEU  36  40.563  76.201 -34.328
  278   1HD2  LEU  36          HD21      LEU  36  44.628  76.879 -35.304
  279   2HD2  LEU  36          HD23      LEU  36  43.997  77.829 -33.960
  280   3HD2  LEU  36          HD22      LEU  36  44.111  76.074 -33.822
  281    H    GLN  37           HN       GLN  37  41.476  74.958 -39.442
  282    HA   GLN  37           HA       GLN  37  44.000  74.719 -40.667
  283   1HB   GLN  37           HB2      GLN  37  41.172  74.403 -41.551
  284   2HB   GLN  37           HB1      GLN  37  42.379  74.554 -42.828
  285   1HG   GLN  37           HG2      GLN  37  43.705  72.755 -41.569
  286   2HG   GLN  37           HG1      GLN  37  42.226  72.472 -40.646
  287   1HE2  GLN  37          HE22      GLN  37  40.522  70.935 -43.373
  288   2HE2  GLN  37          HE21      GLN  37  40.332  71.645 -41.842
  289    H    SER  38           HN       SER  38  41.386  77.019 -41.468
  290    HA   SER  38           HA       SER  38  42.673  78.445 -43.534
  291   1HB   SER  38           HB2      SER  38  40.259  78.670 -42.618
  292   2HB   SER  38           HB1      SER  38  40.948  79.813 -41.467
  293    HG   SER  38           HG       SER  38  40.329  80.977 -43.254
  294    H    LEU  39           HN       LEU  39  42.978  78.837 -40.012
  295    HA   LEU  39           HA       LEU  39  44.619  81.224 -40.149
  296   1HB   LEU  39           HB2      LEU  39  43.953  79.214 -38.008
  297   2HB   LEU  39           HB1      LEU  39  45.237  80.392 -37.737
  298    HG   LEU  39           HG       LEU  39  43.596  82.202 -38.377
  299   1HD1  LEU  39          HD13      LEU  39  41.680  79.856 -38.233
  300   2HD1  LEU  39          HD12      LEU  39  41.175  81.546 -38.218
  301   3HD1  LEU  39          HD11      LEU  39  41.992  80.884 -39.632
  302   1HD2  LEU  39          HD21      LEU  39  43.009  80.401 -36.013
  303   2HD2  LEU  39          HD23      LEU  39  44.044  81.829 -36.037
  304   3HD2  LEU  39          HD22      LEU  39  42.297  82.002 -36.212
  305    H    LEU  40           HN       LEU  40  45.367  77.739 -39.745
  306    HA   LEU  40           HA       LEU  40  48.222  78.076 -39.571
  307   1HB   LEU  40           HB2      LEU  40  46.555  75.748 -40.579
  308   2HB   LEU  40           HB1      LEU  40  48.297  75.669 -40.314
  309    HG   LEU  40           HG       LEU  40  46.482  76.613 -38.105
  310   1HD1  LEU  40          HD12      LEU  40  45.924  74.251 -39.241
  311   2HD1  LEU  40          HD11      LEU  40  47.284  73.740 -38.243
  312   3HD1  LEU  40          HD13      LEU  40  45.868  74.475 -37.492
  313   1HD2  LEU  40          HD22      LEU  40  49.131  76.624 -38.233
  314   2HD2  LEU  40          HD21      LEU  40  48.314  76.156 -36.741
  315   3HD2  LEU  40          HD23      LEU  40  48.943  74.917 -37.826
  316    H    LEU  41           HN       LEU  41  46.014  77.637 -42.307
  317    HA   LEU  41           HA       LEU  41  48.055  77.493 -44.349
  318   1HB   LEU  41           HB2      LEU  41  45.111  77.646 -44.206
  319   2HB   LEU  41           HB1      LEU  41  45.802  78.406 -45.639
  320    HG   LEU  41           HG       LEU  41  46.997  76.363 -46.202
  321   1HD1  LEU  41          HD11      LEU  41  47.370  75.680 -43.798
  322   2HD1  LEU  41          HD13      LEU  41  45.697  75.123 -43.762
  323   3HD1  LEU  41          HD12      LEU  41  46.856  74.364 -44.853
  324   1HD2  LEU  41          HD22      LEU  41  44.069  76.389 -45.767
  325   2HD2  LEU  41          HD21      LEU  41  44.984  76.058 -47.236
  326   3HD2  LEU  41          HD23      LEU  41  44.772  74.793 -46.026
  327    H    SER  42           HN       SER  42  45.658  80.115 -43.829
  328    HA   SER  42           HA       SER  42  46.822  82.121 -45.368
  329   1HB   SER  42           HB2      SER  42  45.830  83.745 -43.693
  330   2HB   SER  42           HB1      SER  42  44.709  82.526 -44.296
  331    HG   SER  42           HG       SER  42  44.838  81.441 -42.402
  332    H    ALA  43           HN       ALA  43  47.784  81.121 -42.101
  333    HA   ALA  43           HA       ALA  43  49.646  83.213 -41.561
  334   1HB   ALA  43           HB1      ALA  43  49.412  80.334 -40.666
  335   2HB   ALA  43           HB3      ALA  43  50.783  81.322 -40.157
  336   3HB   ALA  43           HB2      ALA  43  49.141  81.802 -39.730
  337    H    GLN  44           HN       GLN  44  50.576  79.892 -42.516
  338    HA   GLN  44           HA       GLN  44  53.208  80.514 -43.293
  339   1HB   GLN  44           HB2      GLN  44  51.485  78.219 -43.340
  340   2HB   GLN  44           HB1      GLN  44  52.289  78.353 -44.902
  341   1HG   GLN  44           HG2      GLN  44  53.960  78.774 -42.466
  342   2HG   GLN  44           HG1      GLN  44  53.450  77.126 -42.823
  343   1HE2  GLN  44          HE22      GLN  44  55.828  79.004 -45.610
  344   2HE2  GLN  44          HE21      GLN  44  54.766  79.950 -44.684
  345    H    ILE  45           HN       ILE  45  50.199  80.568 -45.141
  346    HA   ILE  45           HA       ILE  45  51.334  80.903 -47.727
  347    HB   ILE  45           HB       ILE  45  48.743  81.929 -46.558
  348   1HG1  ILE  45          HG12      ILE  45  49.347  79.566 -48.374
  349   2HG1  ILE  45          HG11      ILE  45  49.029  79.451 -46.645
  350   1HG2  ILE  45          HG23      ILE  45  49.406  83.250 -48.546
  351   2HG2  ILE  45          HG22      ILE  45  49.614  81.759 -49.466
  352   3HG2  ILE  45          HG21      ILE  45  48.012  82.231 -48.902
  353   1HD1  ILE  45          HD13      ILE  45  47.071  80.766 -48.531
  354   2HD1  ILE  45          HD12      ILE  45  47.042  79.030 -48.224
  355   3HD1  ILE  45          HD11      ILE  45  46.780  80.163 -46.899
  356    H    THR  46           HN       THR  46  50.097  83.350 -45.458
  357    HA   THR  46           HA       THR  46  51.252  85.574 -46.970
  358    HB   THR  46           HB       THR  46  50.419  86.952 -45.080
  359    HG1  THR  46           HG1      THR  46  49.481  84.529 -43.950
  360   1HG2  THR  46          HG21      THR  46  48.538  84.844 -46.159
  361   2HG2  THR  46          HG23      THR  46  47.991  86.261 -45.263
  362   3HG2  THR  46          HG22      THR  46  48.821  86.459 -46.807
  363    H    GLY  47           HN       GLY  47  52.024  83.757 -44.043
  364   1HA   GLY  47           HA2      GLY  47  54.835  84.592 -44.213
  365   2HA   GLY  47           HA1      GLY  47  53.986  85.168 -42.776
  366    H    MET  48           HN       MET  48  53.431  83.742 -41.187
  367    HA   MET  48           HA       MET  48  52.924  81.204 -40.839
  368   1HB   MET  48           HB2      MET  48  54.895  79.757 -40.876
  369   2HB   MET  48           HB1      MET  48  54.616  80.440 -42.468
  370   1HG   MET  48           HG2      MET  48  56.284  82.301 -41.695
  371   2HG   MET  48           HG1      MET  48  56.766  81.122 -40.475
  372   1HE   MET  48           HE2      MET  48  57.602  78.992 -40.753
  373   2HE   MET  48           HE1      MET  48  56.573  78.229 -41.963
  374   3HE   MET  48           HE3      MET  48  58.329  78.265 -42.182
  375    H    THR  49           HN       THR  49  52.694  83.069 -39.045
  376    HA   THR  49           HA       THR  49  53.903  82.011 -36.702
  377    HB   THR  49           HB       THR  49  56.006  82.917 -37.388
  378    HG1  THR  49           HG1      THR  49  54.856  84.792 -35.586
  379   1HG2  THR  49          HG21      THR  49  54.543  84.779 -38.787
  380   2HG2  THR  49          HG23      THR  49  55.207  85.752 -37.477
  381   3HG2  THR  49          HG22      THR  49  56.286  84.849 -38.541
  382    H    VAL  50           HN       VAL  50  51.481  82.289 -36.748
  383    HA   VAL  50           HA       VAL  50  50.395  84.940 -36.180
  384    HB   VAL  50           HB       VAL  50  48.279  83.829 -35.978
  385   1HG1  VAL  50          HG11      VAL  50  50.060  83.221 -38.104
  386   2HG1  VAL  50          HG13      VAL  50  49.054  81.808 -37.801
  387   3HG1  VAL  50          HG12      VAL  50  48.304  83.366 -38.151
  388   1HG2  VAL  50          HG22      VAL  50  49.976  81.485 -35.255
  389   2HG2  VAL  50          HG21      VAL  50  48.531  82.094 -34.455
  390   3HG2  VAL  50          HG23      VAL  50  48.394  81.201 -35.970
  391    H    THR  51           HN       THR  51  48.654  84.000 -33.969
  392    HA   THR  51           HA       THR  51  50.656  83.702 -31.829
  393    HB   THR  51           HB       THR  51  48.287  85.583 -31.693
  394    HG1  THR  51           HG1      THR  51  50.250  86.166 -32.998
  395   1HG2  THR  51          HG21      THR  51  49.104  84.422 -29.558
  396   2HG2  THR  51          HG23      THR  51  50.584  85.359 -29.756
  397   3HG2  THR  51          HG22      THR  51  49.043  86.184 -29.532
  398    H    ILE  52           HN       ILE  52  50.232  81.803 -30.825
  399    HA   ILE  52           HA       ILE  52  47.415  80.790 -30.796
  400    HB   ILE  52           HB       ILE  52  49.937  79.319 -29.965
  401   1HG1  ILE  52          HG12      ILE  52  50.138  79.980 -32.308
  402   2HG1  ILE  52          HG11      ILE  52  49.792  78.253 -32.219
  403   1HG2  ILE  52          HG21      ILE  52  47.643  78.498 -29.193
  404   2HG2  ILE  52          HG23      ILE  52  47.277  78.211 -30.895
  405   3HG2  ILE  52          HG22      ILE  52  48.599  77.340 -30.118
  406   1HD1  ILE  52          HD11      ILE  52  47.532  80.215 -32.464
  407   2HD1  ILE  52          HD13      ILE  52  48.453  79.758 -33.894
  408   3HD1  ILE  52          HD12      ILE  52  47.600  78.526 -32.964
  409    H    LYS  53           HN       LYS  53  46.217  80.826 -28.917
  410    HA   LYS  53           HA       LYS  53  47.554  80.758 -26.298
  411   1HB   LYS  53           HB2      LYS  53  46.478  82.956 -25.647
  412   2HB   LYS  53           HB1      LYS  53  47.856  83.070 -26.738
  413   1HG   LYS  53           HG2      LYS  53  46.543  83.670 -28.547
  414   2HG   LYS  53           HG1      LYS  53  45.116  82.852 -27.906
  415   1HD   LYS  53           HD2      LYS  53  44.503  84.634 -26.607
  416   2HD   LYS  53           HD1      LYS  53  46.169  85.087 -26.270
  417   1HE   LYS  53           HE2      LYS  53  46.397  86.054 -28.503
  418   2HE   LYS  53           HE1      LYS  53  44.751  85.550 -28.907
  419   1HZ   LYS  53           HZ1      LYS  53  45.447  87.334 -26.614
  420   2HZ   LYS  53           HZ3      LYS  53  44.926  87.897 -28.153
  421   3HZ   LYS  53           HZ2      LYS  53  43.857  86.947 -27.199
  422    H    THR  54           HN       THR  54  45.912  81.307 -24.507
  423    HA   THR  54           HA       THR  54  43.956  80.874 -23.356
  424    HB   THR  54           HB       THR  54  41.879  81.267 -24.384
  425    HG1  THR  54           HG1      THR  54  43.153  80.441 -26.789
  426   1HG2  THR  54          HG23      THR  54  43.551  83.158 -24.523
  427   2HG2  THR  54          HG22      THR  54  43.831  82.691 -26.199
  428   3HG2  THR  54          HG21      THR  54  42.236  83.244 -25.693
  429    H    ASN  55           HN       ASN  55  42.311  79.233 -22.935
  430    HA   ASN  55           HA       ASN  55  41.723  77.009 -22.591
  431   1HB   ASN  55           HB2      ASN  55  41.113  77.397 -25.065
  432   2HB   ASN  55           HB1      ASN  55  42.576  76.486 -25.438
  433   1HD2  ASN  55          HD22      ASN  55  39.482  74.499 -23.588
  434   2HD2  ASN  55          HD21      ASN  55  39.632  76.172 -23.353
  435    H    ALA  56           HN       ALA  56  44.127  77.461 -21.495
  436    HA   ALA  56           HA       ALA  56  45.917  76.205 -20.608
  437   1HB   ALA  56           HB3      ALA  56  44.366  74.230 -21.234
  438   2HB   ALA  56           HB2      ALA  56  45.378  74.062 -22.667
  439   3HB   ALA  56           HB1      ALA  56  46.087  73.889 -21.062
  440    H    CYS  57           HN       CYS  57  45.770  75.652 -24.147
  441    HA   CYS  57           HA       CYS  57  47.335  76.151 -25.831
  442   1HB   CYS  57           HB2      CYS  57  47.502  78.376 -24.801
  443   2HB   CYS  57           HB1      CYS  57  48.665  77.764 -23.631
  444    H    HIS  58           HN       HIS  58  47.556  73.880 -23.864
  445    HA   HIS  58           HA       HIS  58  50.203  72.940 -24.720
  446   1HB   HIS  58           HB2      HIS  58  49.706  73.915 -22.014
  447   2HB   HIS  58           HB1      HIS  58  50.173  72.213 -22.003
  448    HD1  HIS  58           HD1      HIS  58  52.585  71.647 -22.560
  449    HD2  HIS  58           HD2      HIS  58  51.696  75.663 -23.222
  450    HE1  HIS  58           HE1      HIS  58  54.795  72.807 -22.997
  451    H    ASN  59           HN       ASN  59  49.707  70.936 -25.529
  452    HA   ASN  59           HA       ASN  59  48.662  68.845 -25.786
  453   1HB   ASN  59           HB2      ASN  59  49.705  68.577 -23.472
  454   2HB   ASN  59           HB1      ASN  59  48.131  69.010 -22.805
  455   1HD2  ASN  59          HD22      ASN  59  46.914  65.745 -23.193
  456   2HD2  ASN  59          HD21      ASN  59  46.827  67.232 -22.382
  457    H    GLY  60           HN       GLY  60  46.949  69.950 -26.988
  458   1HA   GLY  60           HA2      GLY  60  44.636  70.185 -27.462
  459   2HA   GLY  60           HA1      GLY  60  44.287  69.541 -25.851
  460    H    GLY  61           HN       GLY  61  45.753  72.447 -27.351
  461   1HA   GLY  61           HA2      GLY  61  44.284  74.104 -25.347
  462   2HA   GLY  61           HA1      GLY  61  46.001  74.355 -25.599
  463    H    GLY  62           HN       GLY  62  44.898  76.603 -26.043
  464   1HA   GLY  62           HA2      GLY  62  44.563  78.289 -27.643
  465   2HA   GLY  62           HA1      GLY  62  45.139  77.150 -28.859
  466    H    PHE  63           HN       PHE  63  42.286  78.413 -27.241
  467    HA   PHE  63           HA       PHE  63  40.570  76.625 -28.877
  468   1HB   PHE  63           HB2      PHE  63  40.037  76.820 -26.485
  469   2HB   PHE  63           HB1      PHE  63  39.817  78.558 -26.658
  470    HD1  PHE  63           HD2      PHE  63  38.699  75.460 -28.479
  471    HD2  PHE  63           HD1      PHE  63  37.596  79.243 -26.770
  472    HE1  PHE  63           HE2      PHE  63  36.346  75.084 -29.166
  473    HE2  PHE  63           HE1      PHE  63  35.243  78.868 -27.459
  474    HZ   PHE  63           HZ       PHE  63  34.618  76.789 -28.658
  475    H    SER  64           HN       SER  64  39.809  80.018 -27.962
  476    HA   SER  64           HA       SER  64  39.453  80.529 -30.882
  477   1HB   SER  64           HB2      SER  64  37.367  80.256 -29.331
  478   2HB   SER  64           HB1      SER  64  37.754  81.900 -28.831
  479    HG   SER  64           HG       SER  64  37.444  82.609 -30.891
  480    H    GLU  65           HN       GLU  65  41.902  81.304 -29.516
  481    HA   GLU  65           HA       GLU  65  41.629  84.218 -30.016
  482   1HB   GLU  65           HB2      GLU  65  42.635  82.908 -27.520
  483   2HB   GLU  65           HB1      GLU  65  43.339  84.442 -28.038
  484   1HG   GLU  65           HG2      GLU  65  40.389  84.343 -28.161
  485   2HG   GLU  65           HG1      GLU  65  41.051  84.229 -26.532
  486    H    VAL  66           HN       VAL  66  42.808  84.249 -31.880
  487    HA   VAL  66           HA       VAL  66  45.660  83.479 -31.662
  488    HB   VAL  66           HB       VAL  66  43.775  82.403 -33.772
  489   1HG1  VAL  66          HG11      VAL  66  46.801  82.458 -33.720
  490   2HG1  VAL  66          HG13      VAL  66  45.862  81.401 -34.774
  491   3HG1  VAL  66          HG12      VAL  66  45.746  83.152 -34.951
  492   1HG2  VAL  66          HG23      VAL  66  43.981  81.112 -31.654
  493   2HG2  VAL  66          HG22      VAL  66  44.640  80.231 -33.032
  494   3HG2  VAL  66          HG21      VAL  66  45.726  81.033 -31.898
  495    H    ILE  67           HN       ILE  67  46.985  84.916 -32.709
  496    HA   ILE  67           HA       ILE  67  45.613  87.066 -34.259
  497    HB   ILE  67           HB       ILE  67  48.249  87.047 -32.794
  498   1HG1  ILE  67          HG12      ILE  67  46.416  89.229 -32.350
  499   2HG1  ILE  67          HG11      ILE  67  45.596  87.684 -32.133
  500   1HG2  ILE  67          HG23      ILE  67  48.080  88.281 -35.139
  501   2HG2  ILE  67          HG22      ILE  67  47.149  89.453 -34.207
  502   3HG2  ILE  67          HG21      ILE  67  48.815  89.093 -33.759
  503   1HD1  ILE  67          HD11      ILE  67  48.306  88.031 -30.913
  504   2HD1  ILE  67          HD13      ILE  67  46.923  88.779 -30.116
  505   3HD1  ILE  67          HD12      ILE  67  46.956  87.035 -30.371
  506    H    PHE  68           HN       PHE  68  45.811  87.047 -36.410
  507    HA   PHE  68           HA       PHE  68  47.484  85.149 -37.773
  508   1HB   PHE  68           HB2      PHE  68  46.212  87.560 -39.062
  509   2HB   PHE  68           HB1      PHE  68  46.615  86.015 -39.811
  510    HD1  PHE  68           HD1      PHE  68  45.646  84.568 -37.081
  511    HD2  PHE  68           HD2      PHE  68  43.887  87.245 -39.930
  512    HE1  PHE  68           HE1      PHE  68  43.415  83.731 -36.472
  513    HE2  PHE  68           HE2      PHE  68  41.645  86.411 -39.330
  514    HZ   PHE  68           HZ       PHE  68  41.390  84.642 -37.604
  515    H    ARG  69           HN       ARG  69  49.231  85.370 -39.020
  516    HA   ARG  69           HA       ARG  69  50.668  87.306 -40.146
  517   1HB   ARG  69           HB2      ARG  69  50.814  87.746 -37.240
  518   2HB   ARG  69           HB1      ARG  69  52.391  87.671 -38.019
  519   1HG   ARG  69           HG2      ARG  69  50.132  89.604 -38.516
  520   2HG   ARG  69           HG1      ARG  69  51.825  89.954 -38.196
  521   1HD   ARG  69           HD2      ARG  69  50.568  88.967 -40.762
  522   2HD   ARG  69           HD1      ARG  69  51.534  90.414 -40.505
  523    HE   ARG  69           HE       ARG  69  52.589  87.874 -41.222
  524   1HH1  ARG  69          HH11      ARG  69  53.653  90.876 -40.576
  525   2HH1  ARG  69          HH12      ARG  69  55.095  90.398 -39.731
  526   1HH2  ARG  69          HH21      ARG  69  54.114  87.074 -39.447
  527   2HH2  ARG  69          HH22      ARG  69  55.366  88.232 -39.091
   
  No H/Q in entry =         527
  Start of MODEL    5
    1   1H    THR   1           HT1      THR   1  36.337 112.032 -48.564
    2   2H    THR   1           HT3      THR   1  36.468 111.120 -49.991
    3   3H    THR   1           HT2      THR   1  35.320 112.370 -49.885
    4    HA   THR   1           HA       THR   1  33.808 111.064 -48.910
    5    HB   THR   1           HB       THR   1  34.784 108.488 -48.992
    6    HG1  THR   1           HG1      THR   1  36.750 108.856 -49.773
    7   1HG2  THR   1          HG22      THR   1  33.044 110.141 -50.473
    8   2HG2  THR   1          HG21      THR   1  34.093 109.363 -51.658
    9   3HG2  THR   1          HG23      THR   1  33.153 108.382 -50.533
   10    HA   PRO   2           HA       PRO   2  34.698 110.077 -44.710
   11   1HB   PRO   2           HB2      PRO   2  32.861 108.092 -44.197
   12   2HB   PRO   2           HB1      PRO   2  32.428 109.803 -44.382
   13   1HG   PRO   2           HG2      PRO   2  32.022 107.545 -46.291
   14   2HG   PRO   2           HG1      PRO   2  31.099 109.047 -46.117
   15   1HD   PRO   2           HD2      PRO   2  33.040 108.510 -48.103
   16   2HD   PRO   2           HD1      PRO   2  32.356 110.104 -47.711
   17    H    ASP   3           HN       ASP   3  36.722 108.942 -46.111
   18    HA   ASP   3           HA       ASP   3  36.772 106.036 -45.628
   19   1HB   ASP   3           HB2      ASP   3  39.076 107.693 -46.647
   20   2HB   ASP   3           HB1      ASP   3  38.751 105.983 -46.925
   21    H    CYS   4           HN       CYS   4  39.799 106.158 -45.073
   22    HA   CYS   4           HA       CYS   4  40.098 107.553 -42.559
   23   1HB   CYS   4           HB2      CYS   4  38.523 105.923 -41.739
   24   2HB   CYS   4           HB1      CYS   4  39.465 104.609 -42.435
   25    H    VAL   5           HN       VAL   5  41.306 104.228 -42.979
   26    HA   VAL   5           HA       VAL   5  44.013 105.374 -43.572
   27    HB   VAL   5           HB       VAL   5  44.984 103.890 -41.869
   28   1HG1  VAL   5          HG12      VAL   5  44.085 106.198 -41.276
   29   2HG1  VAL   5          HG11      VAL   5  42.678 105.375 -40.612
   30   3HG1  VAL   5          HG13      VAL   5  44.271 105.076 -39.928
   31   1HG2  VAL   5          HG21      VAL   5  42.191 102.859 -41.824
   32   2HG2  VAL   5          HG23      VAL   5  43.710 101.998 -41.577
   33   3HG2  VAL   5          HG22      VAL   5  43.013 102.952 -40.268
   34    H    THR   6           HN       THR   6  45.443 102.984 -43.420
   35    HA   THR   6           HA       THR   6  44.498 101.561 -45.831
   36    HB   THR   6           HB       THR   6  46.828 100.754 -45.914
   37    HG1  THR   6           HG1      THR   6  47.130 102.411 -43.617
   38   1HG2  THR   6          HG22      THR   6  45.819 103.303 -46.416
   39   2HG2  THR   6          HG21      THR   6  47.398 103.565 -45.674
   40   3HG2  THR   6          HG23      THR   6  47.260 102.579 -47.130
   41    H    GLY   7           HN       GLY   7  45.474  99.092 -45.687
   42   1HA   GLY   7           HA2      GLY   7  44.775  97.996 -43.010
   43   2HA   GLY   7           HA1      GLY   7  43.848  97.447 -44.392
   44    H    LYS   8           HN       LYS   8  47.249  97.728 -43.359
   45    HA   LYS   8           HA       LYS   8  48.136  95.512 -45.010
   46   1HB   LYS   8           HB2      LYS   8  49.522  96.744 -42.597
   47   2HB   LYS   8           HB1      LYS   8  50.265  95.700 -43.802
   48   1HG   LYS   8           HG2      LYS   8  50.913  97.784 -44.573
   49   2HG   LYS   8           HG1      LYS   8  49.426  97.537 -45.474
   50   1HD   LYS   8           HD2      LYS   8  48.307  99.154 -44.356
   51   2HD   LYS   8           HD1      LYS   8  49.074  98.751 -42.820
   52   1HE   LYS   8           HE2      LYS   8  51.159  99.864 -43.596
   53   2HE   LYS   8           HE1      LYS   8  50.330 100.323 -45.090
   54   1HZ   LYS   8           HZ3      LYS   8  48.672 101.500 -43.781
   55   2HZ   LYS   8           HZ2      LYS   8  49.488 101.072 -42.329
   56   3HZ   LYS   8           HZ1      LYS   8  50.236 102.112 -43.459
   57    H    VAL   9           HN       VAL   9  49.608  94.244 -42.575
   58    HA   VAL   9           HA       VAL   9  47.374  93.272 -40.927
   59    HB   VAL   9           HB       VAL   9  48.816  91.417 -42.798
   60   1HG1  VAL   9          HG13      VAL   9  46.974  90.999 -40.468
   61   2HG1  VAL   9          HG12      VAL   9  46.970  89.846 -41.802
   62   3HG1  VAL   9          HG11      VAL   9  48.449  90.130 -40.889
   63   1HG2  VAL   9          HG23      VAL   9  45.997  92.492 -42.677
   64   2HG2  VAL   9          HG22      VAL   9  47.154  92.653 -43.998
   65   3HG2  VAL   9          HG21      VAL   9  46.437  91.082 -43.639
   66    H    GLU  10           HN       GLU  10  49.279  94.390 -39.517
   67    HA   GLU  10           HA       GLU  10  51.307  92.274 -39.050
   68   1HB   GLU  10           HB2      GLU  10  51.278  95.226 -38.714
   69   2HB   GLU  10           HB1      GLU  10  52.140  94.333 -37.463
   70   1HG   GLU  10           HG2      GLU  10  53.390  95.101 -39.673
   71   2HG   GLU  10           HG1      GLU  10  53.748  93.542 -38.940
   72    H    TYR  11           HN       TYR  11  49.120  91.283 -38.149
   73    HA   TYR  11           HA       TYR  11  49.001  90.189 -35.836
   74   1HB   TYR  11           HB2      TYR  11  50.201  91.967 -34.678
   75   2HB   TYR  11           HB1      TYR  11  48.918  93.110 -35.024
   76    HD1  TYR  11           HD2      TYR  11  46.561  92.572 -34.011
   77    HD2  TYR  11           HD1      TYR  11  50.226  90.772 -32.682
   78    HE1  TYR  11           HE2      TYR  11  45.510  92.044 -31.836
   79    HE2  TYR  11           HE1      TYR  11  49.172  90.255 -30.497
   80    HH   TYR  11           HH       TYR  11  46.498  91.670 -29.375
   81    H    THR  12           HN       THR  12  47.032  89.239 -36.387
   82    HA   THR  12           HA       THR  12  44.576  91.030 -36.316
   83    HB   THR  12           HB       THR  12  45.226  88.523 -37.868
   84    HG1  THR  12           HG1      THR  12  45.793  90.719 -38.625
   85   1HG2  THR  12          HG23      THR  12  42.604  89.821 -37.234
   86   2HG2  THR  12          HG22      THR  12  42.824  88.993 -38.776
   87   3HG2  THR  12          HG21      THR  12  43.024  88.107 -37.264
   88    H    LYS  13           HN       LYS  13  44.242  90.676 -34.059
   89    HA   LYS  13           HA       LYS  13  44.280  88.066 -32.831
   90   1HB   LYS  13           HB2      LYS  13  44.613  90.159 -31.567
   91   2HB   LYS  13           HB1      LYS  13  42.950  90.628 -31.916
   92   1HG   LYS  13           HG2      LYS  13  42.569  88.133 -30.867
   93   2HG   LYS  13           HG1      LYS  13  43.985  88.666 -29.962
   94   1HD   LYS  13           HD2      LYS  13  42.617  89.879 -28.649
   95   2HD   LYS  13           HD1      LYS  13  42.268  90.899 -30.046
   96   1HE   LYS  13           HE2      LYS  13  40.816  88.291 -29.645
   97   2HE   LYS  13           HE1      LYS  13  40.276  89.755 -28.827
   98   1HZ   LYS  13           HZ3      LYS  13  40.670  89.486 -31.773
   99   2HZ   LYS  13           HZ2      LYS  13  39.156  89.394 -30.970
  100   3HZ   LYS  13           HZ1      LYS  13  40.055  90.873 -30.961
  101    H    TYR  14           HN       TYR  14  42.920  86.618 -33.946
  102    HA   TYR  14           HA       TYR  14  40.088  87.328 -34.333
  103   1HB   TYR  14           HB2      TYR  14  40.102  85.707 -35.904
  104   2HB   TYR  14           HB1      TYR  14  41.821  85.517 -35.605
  105    HD1  TYR  14           HD1      TYR  14  38.447  84.221 -34.819
  106    HD2  TYR  14           HD2      TYR  14  42.664  83.649 -34.285
  107    HE1  TYR  14           HE1      TYR  14  38.018  81.953 -33.926
  108    HE2  TYR  14           HE2      TYR  14  42.236  81.371 -33.388
  109    HH   TYR  14           HH       TYR  14  40.672  79.752 -33.100
  110    H    ASN  15           HN       ASN  15  38.372  86.326 -33.311
  111    HA   ASN  15           HA       ASN  15  38.658  84.325 -31.268
  112   1HB   ASN  15           HB2      ASN  15  38.181  85.619 -29.297
  113   2HB   ASN  15           HB1      ASN  15  39.541  86.398 -30.098
  114   1HD2  ASN  15          HD22      ASN  15  35.973  88.358 -29.836
  115   2HD2  ASN  15          HD21      ASN  15  36.089  86.732 -29.364
  116    H    ASP  16           HN       ASP  16  36.663  86.952 -32.585
  117    HA   ASP  16           HA       ASP  16  34.137  86.030 -31.715
  118   1HB   ASP  16           HB2      ASP  16  34.554  87.412 -34.351
  119   2HB   ASP  16           HB1      ASP  16  33.205  87.574 -33.226
  120    H    ASP  17           HN       ASP  17  35.432  85.760 -34.979
  121    HA   ASP  17           HA       ASP  17  35.187  83.012 -35.497
  122   1HB   ASP  17           HB2      ASP  17  32.618  84.103 -35.159
  123   2HB   ASP  17           HB1      ASP  17  32.834  84.040 -36.908
  124    H    ASP  18           HN       ASP  18  34.493  86.221 -36.701
  125    HA   ASP  18           HA       ASP  18  36.481  85.937 -38.861
  126   1HB   ASP  18           HB2      ASP  18  34.514  85.373 -40.120
  127   2HB   ASP  18           HB1      ASP  18  33.547  86.598 -39.302
  128    H    THR  19           HN       THR  19  34.261  87.992 -36.982
  129    HA   THR  19           HA       THR  19  35.051  90.562 -37.701
  130    HB   THR  19           HB       THR  19  34.224  89.325 -35.076
  131    HG1  THR  19           HG1      THR  19  32.352  90.332 -35.544
  132   1HG2  THR  19          HG21      THR  19  35.594  91.866 -35.392
  133   2HG2  THR  19          HG23      THR  19  33.960  92.095 -34.774
  134   3HG2  THR  19          HG22      THR  19  35.088  91.044 -33.917
  135    H    PHE  20           HN       PHE  20  36.350  89.195 -34.666
  136    HA   PHE  20           HA       PHE  20  38.540  89.113 -33.826
  137   1HB   PHE  20           HB2      PHE  20  39.498  89.894 -36.591
  138   2HB   PHE  20           HB1      PHE  20  40.417  89.090 -35.329
  139    HD1  PHE  20           HD2      PHE  20  37.625  87.375 -34.787
  140    HD2  PHE  20           HD1      PHE  20  40.358  88.010 -38.036
  141    HE1  PHE  20           HE2      PHE  20  37.026  85.166 -35.735
  142    HE2  PHE  20           HE1      PHE  20  39.752  85.804 -38.977
  143    HZ   PHE  20           HZ       PHE  20  38.083  84.381 -37.831
  144    H    THR  21           HN       THR  21  40.576  90.518 -33.723
  145    HA   THR  21           HA       THR  21  39.861  93.400 -33.970
  146    HB   THR  21           HB       THR  21  41.868  92.610 -31.912
  147    HG1  THR  21           HG1      THR  21  39.076  92.534 -31.398
  148   1HG2  THR  21          HG23      THR  21  41.294  94.931 -32.512
  149   2HG2  THR  21          HG22      THR  21  39.610  94.613 -32.098
  150   3HG2  THR  21          HG21      THR  21  40.848  94.574 -30.843
  151    H    VAL  22           HN       VAL  22  40.932  93.974 -35.668
  152    HA   VAL  22           HA       VAL  22  43.461  92.766 -36.472
  153    HB   VAL  22           HB       VAL  22  41.607  94.794 -37.725
  154   1HG1  VAL  22          HG12      VAL  22  44.012  95.078 -38.417
  155   2HG1  VAL  22          HG11      VAL  22  43.971  93.418 -39.011
  156   3HG1  VAL  22          HG13      VAL  22  42.926  94.638 -39.733
  157   1HG2  VAL  22          HG22      VAL  22  41.058  92.242 -37.432
  158   2HG2  VAL  22          HG21      VAL  22  40.772  93.015 -38.990
  159   3HG2  VAL  22          HG23      VAL  22  42.216  92.033 -38.746
  160    H    LYS  23           HN       LYS  23  45.387  93.599 -36.144
  161    HA   LYS  23           HA       LYS  23  45.740  96.472 -35.344
  162   1HB   LYS  23           HB2      LYS  23  46.550  94.501 -33.823
  163   2HB   LYS  23           HB1      LYS  23  47.788  94.263 -35.070
  164   1HG   LYS  23           HG2      LYS  23  47.928  96.973 -34.658
  165   2HG   LYS  23           HG1      LYS  23  47.553  96.388 -33.036
  166   1HD   LYS  23           HD2      LYS  23  49.722  95.829 -32.814
  167   2HD   LYS  23           HD1      LYS  23  49.458  94.581 -34.031
  168   1HE   LYS  23           HE2      LYS  23  49.963  97.413 -34.902
  169   2HE   LYS  23           HE1      LYS  23  51.322  96.394 -34.421
  170   1HZ   LYS  23           HZ1      LYS  23  49.290  95.678 -36.491
  171   2HZ   LYS  23           HZ3      LYS  23  50.861  96.253 -36.810
  172   3HZ   LYS  23           HZ2      LYS  23  50.649  94.739 -36.045
  173    H    VAL  24           HN       VAL  24  45.445  96.727 -37.779
  174    HA   VAL  24           HA       VAL  24  48.078  96.356 -39.134
  175    HB   VAL  24           HB       VAL  24  47.198  95.209 -40.943
  176   1HG1  VAL  24          HG12      VAL  24  45.667  94.298 -38.494
  177   2HG1  VAL  24          HG11      VAL  24  45.780  93.365 -39.984
  178   3HG1  VAL  24          HG13      VAL  24  47.231  93.708 -39.043
  179   1HG2  VAL  24          HG22      VAL  24  44.653  96.502 -40.101
  180   2HG2  VAL  24          HG21      VAL  24  45.332  96.302 -41.717
  181   3HG2  VAL  24          HG23      VAL  24  44.532  94.946 -40.923
  182    H    GLY  25           HN       GLY  25  47.561  97.293 -41.580
  183   1HA   GLY  25           HA2      GLY  25  47.261  99.316 -42.800
  184   2HA   GLY  25           HA1      GLY  25  45.851  99.588 -41.779
  185    H    ASP  26           HN       ASP  26  45.987 101.022 -40.161
  186    HA   ASP  26           HA       ASP  26  48.663 102.001 -39.359
  187   1HB   ASP  26           HB2      ASP  26  46.319 103.823 -40.000
  188   2HB   ASP  26           HB1      ASP  26  47.944 104.328 -39.537
  189    H    LYS  27           HN       LYS  27  46.071 100.475 -38.295
  190    HA   LYS  27           HA       LYS  27  46.263 101.598 -35.576
  191   1HB   LYS  27           HB2      LYS  27  43.667 101.578 -37.154
  192   2HB   LYS  27           HB1      LYS  27  43.764 101.856 -35.417
  193   1HG   LYS  27           HG2      LYS  27  45.200 103.549 -37.488
  194   2HG   LYS  27           HG1      LYS  27  43.648 103.973 -36.769
  195   1HD   LYS  27           HD2      LYS  27  44.614 104.081 -34.559
  196   2HD   LYS  27           HD1      LYS  27  46.140 103.415 -35.139
  197   1HE   LYS  27           HE2      LYS  27  45.115 105.917 -36.423
  198   2HE   LYS  27           HE1      LYS  27  45.838 106.035 -34.816
  199   1HZ   LYS  27           HZ3      LYS  27  47.270 104.417 -36.801
  200   2HZ   LYS  27           HZ2      LYS  27  47.280 106.116 -37.033
  201   3HZ   LYS  27           HZ1      LYS  27  47.877 105.452 -35.585
  202    H    GLU  28           HN       GLU  28  44.437 100.357 -34.208
  203    HA   GLU  28           HA       GLU  28  44.244  97.521 -35.056
  204   1HB   GLU  28           HB2      GLU  28  46.258  97.682 -33.646
  205   2HB   GLU  28           HB1      GLU  28  45.312  98.462 -32.378
  206   1HG   GLU  28           HG2      GLU  28  43.829  96.407 -32.338
  207   2HG   GLU  28           HG1      GLU  28  44.983  95.629 -33.421
  208    H    LEU  29           HN       LEU  29  42.151  96.793 -34.682
  209    HA   LEU  29           HA       LEU  29  40.676  97.460 -32.312
  210   1HB   LEU  29           HB2      LEU  29  39.387  99.261 -32.865
  211   2HB   LEU  29           HB1      LEU  29  40.772  99.629 -33.876
  212    HG   LEU  29           HG       LEU  29  38.200  98.287 -34.759
  213   1HD1  LEU  29          HD11      LEU  29  39.478 100.990 -35.194
  214   2HD1  LEU  29          HD13      LEU  29  38.232 100.366 -36.273
  215   3HD1  LEU  29          HD12      LEU  29  37.868 100.634 -34.569
  216   1HD2  LEU  29          HD23      LEU  29  40.873  98.591 -36.067
  217   2HD2  LEU  29          HD22      LEU  29  39.700  97.282 -36.210
  218   3HD2  LEU  29          HD21      LEU  29  39.434  98.802 -37.062
  219    H    PHE  30           HN       PHE  30  38.294  96.847 -32.524
  220    HA   PHE  30           HA       PHE  30  38.069  94.223 -33.671
  221   1HB   PHE  30           HB2      PHE  30  36.367  96.028 -32.043
  222   2HB   PHE  30           HB1      PHE  30  35.484  94.917 -33.088
  223    HD1  PHE  30           HD2      PHE  30  35.942  92.443 -32.934
  224    HD2  PHE  30           HD1      PHE  30  37.493  95.252 -30.082
  225    HE1  PHE  30           HE2      PHE  30  36.360  90.587 -31.340
  226    HE2  PHE  30           HE1      PHE  30  37.912  93.400 -28.486
  227    HZ   PHE  30           HZ       PHE  30  37.348  91.065 -29.116
  228    H    THR  31           HN       THR  31  36.621  93.569 -35.347
  229    HA   THR  31           HA       THR  31  35.641  95.745 -37.181
  230    HB   THR  31           HB       THR  31  37.586  95.551 -38.343
  231    HG1  THR  31           HG1      THR  31  36.771  92.918 -38.986
  232   1HG2  THR  31          HG23      THR  31  37.931  92.952 -36.832
  233   2HG2  THR  31          HG22      THR  31  39.110  93.535 -38.004
  234   3HG2  THR  31          HG21      THR  31  38.767  94.481 -36.555
  235    H    ASN  32           HN       ASN  32  33.601  95.190 -37.838
  236    HA   ASN  32           HA       ASN  32  33.042  92.323 -38.419
  237   1HB   ASN  32           HB2      ASN  32  30.780  92.628 -37.266
  238   2HB   ASN  32           HB1      ASN  32  32.182  92.498 -36.209
  239   1HD2  ASN  32          HD22      ASN  32  31.902  95.835 -35.003
  240   2HD2  ASN  32          HD21      ASN  32  32.918  94.481 -35.113
  241    H    ARG  33           HN       ARG  33  31.740  92.000 -40.158
  242    HA   ARG  33           HA       ARG  33  29.897  94.016 -41.182
  243   1HB   ARG  33           HB2      ARG  33  32.245  94.697 -42.035
  244   2HB   ARG  33           HB1      ARG  33  32.155  93.259 -43.048
  245   1HG   ARG  33           HG2      ARG  33  29.963  95.353 -43.015
  246   2HG   ARG  33           HG1      ARG  33  31.338  95.448 -44.113
  247   1HD   ARG  33           HD2      ARG  33  30.671  92.973 -44.716
  248   2HD   ARG  33           HD1      ARG  33  29.106  93.433 -44.049
  249    HE   ARG  33           HE       ARG  33  29.950  95.455 -45.916
  250   1HH1  ARG  33          HH21      ARG  33  28.625  92.251 -45.699
  251   2HH1  ARG  33          HH22      ARG  33  28.067  92.244 -47.349
  252   1HH2  ARG  33          HH11      ARG  33  29.263  95.404 -48.038
  253   2HH2  ARG  33          HH12      ARG  33  28.393  94.024 -48.640
  254    H    TRP  34           HN       TRP  34  31.804  91.167 -42.259
  255    HA   TRP  34           HA       TRP  34  29.637  89.357 -42.288
  256   1HB   TRP  34           HB2      TRP  34  28.598  89.513 -44.312
  257   2HB   TRP  34           HB1      TRP  34  29.096  91.187 -44.170
  258    HD1  TRP  34           HD1      TRP  34  28.976  88.630 -46.605
  259    HE1  TRP  34           HE1      TRP  34  30.731  88.923 -48.462
  260    HE3  TRP  34           HE3      TRP  34  32.117  91.991 -44.365
  261    HZ2  TRP  34           HZ2      TRP  34  33.141  90.360 -48.940
  262    HZ3  TRP  34           HZ3      TRP  34  34.132  92.799 -45.551
  263    HH2  TRP  34           HH2      TRP  34  34.651  91.990 -47.833
  264    H    ASN  35           HN       ASN  35  32.788  90.230 -43.571
  265    HA   ASN  35           HA       ASN  35  33.934  87.689 -43.095
  266   1HB   ASN  35           HB2      ASN  35  32.373  87.243 -45.154
  267   2HB   ASN  35           HB1      ASN  35  33.620  88.095 -46.064
  268   1HD2  ASN  35          HD22      ASN  35  34.379  84.358 -44.623
  269   2HD2  ASN  35          HD21      ASN  35  32.948  85.165 -44.202
  270    H    LEU  36           HN       LEU  36  35.164  89.714 -42.288
  271    HA   LEU  36           HA       LEU  36  36.739  91.168 -44.285
  272   1HB   LEU  36           HB2      LEU  36  36.320  91.279 -41.374
  273   2HB   LEU  36           HB1      LEU  36  37.977  91.634 -41.863
  274    HG   LEU  36           HG       LEU  36  36.310  92.979 -43.715
  275   1HD1  LEU  36          HD13      LEU  36  34.683  92.543 -41.635
  276   2HD1  LEU  36          HD12      LEU  36  35.532  93.955 -41.005
  277   3HD1  LEU  36          HD11      LEU  36  34.657  94.060 -42.533
  278   1HD2  LEU  36          HD22      LEU  36  38.588  93.519 -42.445
  279   2HD2  LEU  36          HD21      LEU  36  37.576  94.813 -43.086
  280   3HD2  LEU  36          HD23      LEU  36  37.506  94.407 -41.371
  281    H    GLN  37           HN       GLN  37  37.080  88.177 -42.569
  282    HA   GLN  37           HA       GLN  37  39.867  87.849 -42.324
  283   1HB   GLN  37           HB2      GLN  37  37.545  86.042 -42.787
  284   2HB   GLN  37           HB1      GLN  37  39.140  85.377 -43.143
  285   1HG   GLN  37           HG2      GLN  37  39.843  86.254 -40.836
  286   2HG   GLN  37           HG1      GLN  37  38.119  86.469 -40.519
  287   1HE2  GLN  37          HE22      GLN  37  37.478  82.973 -40.251
  288   2HE2  GLN  37          HE21      GLN  37  36.769  84.506 -40.427
  289    H    SER  38           HN       SER  38  37.811  87.135 -45.151
  290    HA   SER  38           HA       SER  38  39.794  86.271 -46.961
  291   1HB   SER  38           HB2      SER  38  37.238  86.349 -47.257
  292   2HB   SER  38           HB1      SER  38  37.463  88.023 -47.765
  293    HG   SER  38           HG       SER  38  37.732  87.019 -49.634
  294    H    LEU  39           HN       LEU  39  38.818  89.588 -46.116
  295    HA   LEU  39           HA       LEU  39  40.483  90.873 -48.113
  296   1HB   LEU  39           HB2      LEU  39  39.020  91.797 -45.644
  297   2HB   LEU  39           HB1      LEU  39  40.146  92.880 -46.464
  298    HG   LEU  39           HG       LEU  39  38.895  92.413 -48.610
  299   1HD1  LEU  39          HD11      LEU  39  36.963  91.110 -46.665
  300   2HD1  LEU  39          HD13      LEU  39  36.584  91.509 -48.341
  301   3HD1  LEU  39          HD12      LEU  39  37.827  90.313 -47.981
  302   1HD2  LEU  39          HD23      LEU  39  37.424  93.652 -46.268
  303   2HD2  LEU  39          HD22      LEU  39  38.471  94.476 -47.421
  304   3HD2  LEU  39          HD21      LEU  39  36.917  93.830 -47.948
  305    H    LEU  40           HN       LEU  40  40.902  90.192 -44.617
  306    HA   LEU  40           HA       LEU  40  43.508  91.399 -44.406
  307   1HB   LEU  40           HB2      LEU  40  42.225  89.143 -42.838
  308   2HB   LEU  40           HB1      LEU  40  43.753  89.906 -42.393
  309    HG   LEU  40           HG       LEU  40  41.315  91.603 -42.867
  310   1HD1  LEU  40          HD11      LEU  40  40.889  89.662 -41.203
  311   2HD1  LEU  40          HD13      LEU  40  42.033  90.500 -40.154
  312   3HD1  LEU  40          HD12      LEU  40  40.546  91.304 -40.657
  313   1HD2  LEU  40          HD22      LEU  40  43.579  92.619 -42.609
  314   2HD2  LEU  40          HD21      LEU  40  42.482  93.090 -41.311
  315   3HD2  LEU  40          HD23      LEU  40  43.713  91.860 -41.022
  316    H    LEU  41           HN       LEU  41  42.430  88.134 -45.253
  317    HA   LEU  41           HA       LEU  41  45.076  86.980 -45.446
  318   1HB   LEU  41           HB2      LEU  41  42.294  86.171 -46.028
  319   2HB   LEU  41           HB1      LEU  41  43.503  85.420 -47.068
  320    HG   LEU  41           HG       LEU  41  44.735  84.614 -45.132
  321   1HD1  LEU  41          HD12      LEU  41  42.711  86.276 -43.631
  322   2HD1  LEU  41          HD11      LEU  41  43.569  84.949 -42.848
  323   3HD1  LEU  41          HD13      LEU  41  44.471  86.313 -43.507
  324   1HD2  LEU  41          HD22      LEU  41  41.758  84.098 -45.139
  325   2HD2  LEU  41          HD21      LEU  41  43.043  83.086 -45.796
  326   3HD2  LEU  41          HD23      LEU  41  42.843  83.234 -44.050
  327    H    SER  42           HN       SER  42  42.733  87.614 -48.099
  328    HA   SER  42           HA       SER  42  44.449  87.363 -50.280
  329   1HB   SER  42           HB2      SER  42  42.975  89.071 -51.426
  330   2HB   SER  42           HB1      SER  42  42.103  87.751 -50.650
  331    HG   SER  42           HG       SER  42  41.518  89.084 -49.007
  332    H    ALA  43           HN       ALA  43  44.139  90.155 -48.119
  333    HA   ALA  43           HA       ALA  43  45.743  91.997 -49.598
  334   1HB   ALA  43           HB2      ALA  43  45.316  91.684 -46.603
  335   2HB   ALA  43           HB1      ALA  43  46.140  93.061 -47.338
  336   3HB   ALA  43           HB3      ALA  43  44.438  92.759 -47.689
  337    H    GLN  44           HN       GLN  44  46.835  90.257 -46.672
  338    HA   GLN  44           HA       GLN  44  49.591  90.660 -47.065
  339   1HB   GLN  44           HB2      GLN  44  47.906  89.211 -45.246
  340   2HB   GLN  44           HB1      GLN  44  49.234  88.166 -45.743
  341   1HG   GLN  44           HG2      GLN  44  49.893  90.991 -45.031
  342   2HG   GLN  44           HG1      GLN  44  49.500  89.888 -43.717
  343   1HE2  GLN  44          HE22      GLN  44  52.808  88.985 -45.996
  344   2HE2  GLN  44          HE21      GLN  44  51.506  89.778 -46.740
  345    H    ILE  45           HN       ILE  45  47.462  88.085 -48.226
  346    HA   ILE  45           HA       ILE  45  49.487  86.339 -49.202
  347    HB   ILE  45           HB       ILE  45  46.683  86.849 -50.204
  348   1HG1  ILE  45          HG12      ILE  45  47.821  84.631 -48.464
  349   2HG1  ILE  45          HG11      ILE  45  46.880  85.995 -47.866
  350   1HG2  ILE  45          HG21      ILE  45  48.734  85.471 -51.523
  351   2HG2  ILE  45          HG23      ILE  45  47.802  84.202 -50.726
  352   3HG2  ILE  45          HG22      ILE  45  47.006  85.314 -51.833
  353   1HD1  ILE  45          HD11      ILE  45  44.995  85.293 -49.349
  354   2HD1  ILE  45          HD13      ILE  45  45.934  83.876 -49.818
  355   3HD1  ILE  45          HD12      ILE  45  45.406  84.071 -48.146
  356    H    THR  46           HN       THR  46  47.573  88.804 -50.927
  357    HA   THR  46           HA       THR  46  49.263  88.672 -53.316
  358    HB   THR  46           HB       THR  46  47.855  90.561 -54.106
  359    HG1  THR  46           HG1      THR  46  46.473  90.334 -51.646
  360   1HG2  THR  46          HG23      THR  46  47.064  88.219 -54.328
  361   2HG2  THR  46          HG22      THR  46  46.241  88.372 -52.776
  362   3HG2  THR  46          HG21      THR  46  45.730  89.357 -54.147
  363    H    GLY  47           HN       GLY  47  48.880  90.795 -50.524
  364   1HA   GLY  47           HA2      GLY  47  51.579  91.877 -50.908
  365   2HA   GLY  47           HA1      GLY  47  50.290  93.065 -51.115
  366    H    MET  48           HN       MET  48  49.139  93.748 -49.350
  367    HA   MET  48           HA       MET  48  48.462  92.971 -46.952
  368   1HB   MET  48           HB2      MET  48  50.262  93.058 -45.300
  369   2HB   MET  48           HB1      MET  48  50.603  91.825 -46.502
  370   1HG   MET  48           HG2      MET  48  51.943  93.723 -47.711
  371   2HG   MET  48           HG1      MET  48  51.908  94.513 -46.135
  372   1HE   MET  48           HE1      MET  48  52.965  93.783 -44.071
  373   2HE   MET  48           HE3      MET  48  52.004  92.298 -44.021
  374   3HE   MET  48           HE2      MET  48  53.744  92.235 -43.761
  375    H    THR  49           HN       THR  49  47.666  95.138 -48.147
  376    HA   THR  49           HA       THR  49  47.907  97.194 -46.200
  377    HB   THR  49           HB       THR  49  50.148  97.602 -46.940
  378    HG1  THR  49           HG1      THR  49  48.512  99.492 -48.289
  379   1HG2  THR  49          HG23      THR  49  48.932  97.457 -49.700
  380   2HG2  THR  49          HG22      THR  49  50.478  98.259 -49.423
  381   3HG2  THR  49          HG21      THR  49  50.294  96.545 -49.050
  382    H    VAL  50           HN       VAL  50  45.671  96.478 -46.860
  383    HA   VAL  50           HA       VAL  50  44.550  97.574 -49.324
  384    HB   VAL  50           HB       VAL  50  42.472  96.654 -48.572
  385   1HG1  VAL  50          HG12      VAL  50  44.599  95.105 -48.839
  386   2HG1  VAL  50          HG11      VAL  50  44.273  94.789 -47.135
  387   3HG1  VAL  50          HG13      VAL  50  43.035  94.455 -48.346
  388   1HG2  VAL  50          HG21      VAL  50  43.467  97.439 -45.986
  389   2HG2  VAL  50          HG23      VAL  50  41.821  97.040 -46.464
  390   3HG2  VAL  50          HG22      VAL  50  42.921  95.764 -45.944
  391    H    THR  51           HN       THR  51  42.091  98.588 -48.003
  392    HA   THR  51           HA       THR  51  43.151 101.016 -46.707
  393    HB   THR  51           HB       THR  51  40.921 101.038 -48.753
  394    HG1  THR  51           HG1      THR  51  43.670 101.618 -48.927
  395   1HG2  THR  51          HG21      THR  51  41.441 102.833 -46.731
  396   2HG2  THR  51          HG23      THR  51  42.317 103.530 -48.094
  397   3HG2  THR  51          HG22      THR  51  40.590 103.208 -48.228
  398    H    ILE  52           HN       ILE  52  42.334 101.041 -44.677
  399    HA   ILE  52           HA       ILE  52  39.669  99.771 -44.181
  400    HB   ILE  52           HB       ILE  52  41.671 100.792 -42.141
  401   1HG1  ILE  52          HG12      ILE  52  42.741  99.048 -43.448
  402   2HG1  ILE  52          HG11      ILE  52  42.271  98.364 -41.891
  403   1HG2  ILE  52          HG23      ILE  52  39.085 100.246 -41.695
  404   2HG2  ILE  52          HG22      ILE  52  39.708  98.598 -41.632
  405   3HG2  ILE  52          HG21      ILE  52  40.335  99.820 -40.526
  406   1HD1  ILE  52          HD13      ILE  52  40.025  97.937 -43.427
  407   2HD1  ILE  52          HD12      ILE  52  41.328  97.707 -44.594
  408   3HD1  ILE  52          HD11      ILE  52  41.283  96.740 -43.121
  409    H    LYS  53           HN       LYS  53  37.871 101.034 -43.789
  410    HA   LYS  53           HA       LYS  53  38.165 103.728 -42.657
  411   1HB   LYS  53           HB2      LYS  53  37.016 104.754 -44.667
  412   2HB   LYS  53           HB1      LYS  53  38.698 104.288 -44.902
  413   1HG   LYS  53           HG2      LYS  53  38.149 102.513 -46.282
  414   2HG   LYS  53           HG1      LYS  53  36.560 102.304 -45.543
  415   1HD   LYS  53           HD2      LYS  53  35.578 103.897 -46.862
  416   2HD   LYS  53           HD1      LYS  53  37.024 104.897 -46.903
  417   1HE   LYS  53           HE2      LYS  53  38.067 103.399 -48.521
  418   2HE   LYS  53           HE1      LYS  53  36.678 102.308 -48.440
  419   1HZ   LYS  53           HZ1      LYS  53  36.506 105.188 -49.215
  420   2HZ   LYS  53           HZ3      LYS  53  36.612 103.893 -50.340
  421   3HZ   LYS  53           HZ2      LYS  53  35.243 103.996 -49.306
  422    H    THR  54           HN       THR  54  36.007 104.959 -42.854
  423    HA   THR  54           HA       THR  54  33.751 105.165 -42.393
  424    HB   THR  54           HB       THR  54  32.205 103.719 -43.421
  425    HG1  THR  54           HG1      THR  54  34.254 101.754 -43.253
  426   1HG2  THR  54          HG21      THR  54  33.885 104.853 -44.951
  427   2HG2  THR  54          HG23      THR  54  34.716 103.301 -45.050
  428   3HG2  THR  54          HG22      THR  54  33.061 103.454 -45.636
  429    H    ASN  55           HN       ASN  55  32.013 104.396 -40.991
  430    HA   ASN  55           HA       ASN  55  31.272 103.705 -38.898
  431   1HB   ASN  55           HB2      ASN  55  31.609 101.484 -40.165
  432   2HB   ASN  55           HB1      ASN  55  33.076 101.306 -39.203
  433   1HD2  ASN  55          HD22      ASN  55  29.461 101.212 -37.236
  434   2HD2  ASN  55          HD21      ASN  55  29.572 102.067 -38.697
  435    H    ALA  56           HN       ALA  56  33.114 105.607 -38.560
  436    HA   ALA  56           HA       ALA  56  34.431 106.514 -36.828
  437   1HB   ALA  56           HB1      ALA  56  33.185 104.970 -35.316
  438   2HB   ALA  56           HB3      ALA  56  34.379 103.716 -35.649
  439   3HB   ALA  56           HB2      ALA  56  34.863 105.193 -34.819
  440    H    CYS  57           HN       CYS  57  35.555 103.171 -37.467
  441    HA   CYS  57           HA       CYS  57  37.638 102.392 -38.243
  442   1HB   CYS  57           HB2      CYS  57  37.490 104.168 -39.937
  443   2HB   CYS  57           HB1      CYS  57  38.138 105.334 -38.790
  444    H    HIS  58           HN       HIS  58  37.053 103.350 -35.445
  445    HA   HIS  58           HA       HIS  58  39.796 103.127 -34.419
  446   1HB   HIS  58           HB2      HIS  58  38.387 105.681 -34.540
  447   2HB   HIS  58           HB1      HIS  58  38.756 105.236 -32.873
  448    HD1  HIS  58           HD1      HIS  58  41.192 105.308 -32.141
  449    HD2  HIS  58           HD2      HIS  58  40.729 105.927 -36.236
  450    HE1  HIS  58           HE1      HIS  58  43.445 106.082 -33.008
  451    H    ASN  59           HN       ASN  59  39.547 101.529 -32.908
  452    HA   ASN  59           HA       ASN  59  38.594 100.208 -31.212
  453   1HB   ASN  59           HB2      ASN  59  38.710 102.478 -30.044
  454   2HB   ASN  59           HB1      ASN  59  37.013 102.688 -30.478
  455   1HD2  ASN  59          HD22      ASN  59  35.937 100.760 -27.754
  456   2HD2  ASN  59          HD21      ASN  59  35.602 101.982 -28.880
  457    H    GLY  60           HN       GLY  60  37.476  98.998 -32.908
  458   1HA   GLY  60           HA2      GLY  60  35.510  97.921 -33.675
  459   2HA   GLY  60           HA1      GLY  60  34.570  98.973 -32.604
  460    H    GLY  61           HN       GLY  61  36.591  99.206 -35.556
  461   1HA   GLY  61           HA2      GLY  61  34.560 101.084 -36.678
  462   2HA   GLY  61           HA1      GLY  61  36.259 101.514 -36.714
  463    H    GLY  62           HN       GLY  62  35.454 101.582 -39.135
  464   1HA   GLY  62           HA2      GLY  62  35.788 100.691 -41.284
  465   2HA   GLY  62           HA1      GLY  62  36.723  99.402 -40.526
  466    H    PHE  63           HN       PHE  63  33.529 100.348 -41.644
  467    HA   PHE  63           HA       PHE  63  32.457  97.715 -40.789
  468   1HB   PHE  63           HB2      PHE  63  31.108  99.706 -40.277
  469   2HB   PHE  63           HB1      PHE  63  31.024 100.109 -41.990
  470    HD1  PHE  63           HD2      PHE  63  30.534  97.039 -39.871
  471    HD2  PHE  63           HD1      PHE  63  29.017  99.535 -43.021
  472    HE1  PHE  63           HE2      PHE  63  28.580  95.535 -40.120
  473    HE2  PHE  63           HE1      PHE  63  27.063  98.028 -43.271
  474    HZ   PHE  63           HZ       PHE  63  26.845  96.028 -41.821
  475    H    SER  64           HN       SER  64  31.548  99.497 -43.779
  476    HA   SER  64           HA       SER  64  32.283  97.012 -45.263
  477   1HB   SER  64           HB2      SER  64  29.764  97.602 -44.845
  478   2HB   SER  64           HB1      SER  64  30.014  98.748 -46.160
  479    HG   SER  64           HG       SER  64  30.500  97.089 -47.524
  480    H    GLU  65           HN       GLU  65  34.092  99.294 -45.140
  481    HA   GLU  65           HA       GLU  65  34.122  99.826 -48.062
  482   1HB   GLU  65           HB2      GLU  65  34.116 101.850 -45.856
  483   2HB   GLU  65           HB1      GLU  65  35.002 102.190 -47.345
  484   1HG   GLU  65           HG2      GLU  65  32.293 101.077 -47.743
  485   2HG   GLU  65           HG1      GLU  65  32.326 102.682 -47.015
  486    H    VAL  66           HN       VAL  66  35.896  98.605 -48.522
  487    HA   VAL  66           HA       VAL  66  38.444  99.440 -47.265
  488    HB   VAL  66           HB       VAL  66  37.384  96.610 -47.235
  489   1HG1  VAL  66          HG12      VAL  66  40.203  97.635 -47.129
  490   2HG1  VAL  66          HG11      VAL  66  39.763  96.206 -46.195
  491   3HG1  VAL  66          HG13      VAL  66  39.573  96.207 -47.949
  492   1HG2  VAL  66          HG22      VAL  66  38.281  98.619 -45.174
  493   2HG2  VAL  66          HG21      VAL  66  36.771  97.710 -45.237
  494   3HG2  VAL  66          HG23      VAL  66  38.274  96.893 -44.809
  495    H    ILE  67           HN       ILE  67  40.120  99.465 -48.726
  496    HA   ILE  67           HA       ILE  67  39.475  98.445 -51.457
  497    HB   ILE  67           HB       ILE  67  41.400 100.580 -50.543
  498   1HG1  ILE  67          HG12      ILE  67  39.589 101.168 -52.708
  499   2HG1  ILE  67          HG11      ILE  67  38.703 100.517 -51.331
  500   1HG2  ILE  67          HG23      ILE  67  42.133  98.937 -52.487
  501   2HG2  ILE  67          HG22      ILE  67  40.949  99.853 -53.419
  502   3HG2  ILE  67          HG21      ILE  67  42.322 100.677 -52.684
  503   1HD1  ILE  67          HD11      ILE  67  40.782 102.498 -50.632
  504   2HD1  ILE  67          HD13      ILE  67  39.421 103.143 -51.548
  505   3HD1  ILE  67          HD12      ILE  67  39.140 102.325 -50.013
  506    H    PHE  68           HN       PHE  68  40.443  96.633 -52.116
  507    HA   PHE  68           HA       PHE  68  42.431  95.304 -50.519
  508   1HB   PHE  68           HB2      PHE  68  41.808  94.628 -53.390
  509   2HB   PHE  68           HB1      PHE  68  42.391  93.552 -52.121
  510    HD1  PHE  68           HD1      PHE  68  40.448  95.095 -50.049
  511    HD2  PHE  68           HD2      PHE  68  39.937  93.019 -53.767
  512    HE1  PHE  68           HE1      PHE  68  38.116  94.610 -49.442
  513    HE2  PHE  68           HE2      PHE  68  37.597  92.524 -53.168
  514    HZ   PHE  68           HZ       PHE  68  36.670  93.306 -50.998
  515    H    ARG  69           HN       ARG  69  44.512  94.868 -50.850
  516    HA   ARG  69           HA       ARG  69  46.335  95.062 -52.775
  517   1HB   ARG  69           HB2      ARG  69  45.417  97.803 -52.225
  518   2HB   ARG  69           HB1      ARG  69  47.165  97.619 -52.141
  519   1HG   ARG  69           HG2      ARG  69  45.330  97.156 -54.486
  520   2HG   ARG  69           HG1      ARG  69  46.816  98.094 -54.419
  521   1HD   ARG  69           HD2      ARG  69  46.510  95.087 -54.520
  522   2HD   ARG  69           HD1      ARG  69  47.363  96.134 -55.649
  523    HE   ARG  69           HE       ARG  69  48.549  94.941 -53.373
  524   1HH1  ARG  69          HH11      ARG  69  49.388  96.983 -55.743
  525   2HH1  ARG  69          HH12      ARG  69  50.378  98.031 -54.774
  526   1HH2  ARG  69          HH21      ARG  69  49.251  96.697 -51.763
  527   2HH2  ARG  69          HH22      ARG  69  50.306  97.871 -52.502
   
  No H/Q in entry =         527