*HEADER   ACYLTRANSFERASE                         16-JAN-96   1GHK    
*TITLE    SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE              
*TITLE   2 2-OXOGLUTARATE DEHYDROGENASE COMPLEX FROM AZOTOBACTER      
*TITLE   3 VINELAND II, NMR, 25 STRUCTURES                            
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: E2, THE DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE     
*COMPND  3 COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX;         
*COMPND  4 CHAIN: NULL;                                               
*COMPND  5 FRAGMENT: LIPOYL DOMAIN, RESIDUES 1-79;                    
*COMPND  6 SYNONYM: E2;                                               
*COMPND  7 EC: 2.3.1.61;                                              
*COMPND  8 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII;               
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*KEYWDS   GLYCOLYSIS, TRANSFERASE, ACYLTRANSFERASE, LIPOYL            
*EXPDTA   NMR, 25 STRUCTURES                                          
*AUTHOR   A.BERG,J.VERVOORT,A.DE KOK                                  
*REVDAT  1   11-JAN-97 1GHK    0                                      



This file contains the experimental data (NOE distance constraints,
hydrogen bond distance constraints, and dihedral angle constraints)
for the determination of the three-dimensional solution structure
of the lipoyl domain of the dihydrolipoamide succinyltransferase
component of the 2-oxoglutarate dehydrogenase complex from Azotobacter
vinelandii.

The method used to determine the solution structures of the lipoyl domain
is the hybrid distance geometry-dynamical simulated annealing calculation
strategy of Nilges et al. (1988) FEBS Lett. 229, 317-324.
X-PLOR version 3.1 was used for the structure calculation.

 NOEs are grouped into strong, medium and weak categories,
 corresponding to upper-bound interproton distance constraints
 of 2.7, 3.3, and 5.0 A, respectively. An additional 0.5 A is added
 to the upper limits for distances involving methyl groups. 
 In all cases, the lower-bound distance constraint is set to 1.8 A,
 the approximate sum of the van der Waals radii. NOEs which partially
 overlapped in the spectra were conservatively assigned an upper 
 bound constraint of 5.0 A if their intensity grouping was ambiguous.
 The standard pseudoatom corrections (Wuthrich et al., 1983) are
 applied to methyl groups, degenerate diastereotopic hydrogen atoms,
 and diastereotopic hydrogen groups for which only one NOE was observed.
 For stereospecifically unassigned diastereotopic substituents for which
 NOEs to both hydrogens were observed, the DIANA treatment of
 diastereotopic hydrogens is used. In cases where both NOEs had an equal
 upper distance limit, no pseudoatom correction is applied. In cases
 where both NOEs have different upper distance limits, the upper distance
 limit of both NOEs is set equal to the higher limit of the two, and an
 extra 'DIANA' pseudoatom distance constraint is calculated and added
 to the constraint list, indicated by '!!' in the constraint list.


!!NOE distance constraints

assign (resid 2 and name HA )(resid 2 and name HG1* ) 3.3 3.3 0.6
assign (resid 2 and name HN )(resid 2 and name HD1* ) 3.3 3.3 1.5
assign (resid 2 and name HN )(resid 2 and name HG1* ) 3.3 3.3 1
assign (resid 2 and name HN )(resid 74 and name HB* ) 5 5 1
!D3, stereo beta            
assign (resid 3 and name HA )(resid 74 and name HA ) 2.7 2.7 0
assign (resid 3 and name HA )(resid 75 and name HN ) 3.3 3.3 0
assign (resid 3 and name HN )(resid 2 and name HA ) 2.7 2.7 0
assign (resid 3 and name HN )(resid 3 and name HB1 ) 2.7 2.7 0
assign (resid 3 and name HN )(resid 3 and name HB2 ) 3.3 3.3 0
!I4              
assign (resid 4 and name HN )(resid 3 and name HA ) 3.3 3.3 0
assign (resid 4 and name HN )(resid 3 and name HB1 ) 5 5 0
assign (resid 4 and name HN )(resid 4 and name HB ) 3.3 3.3 0
assign (resid 4 and name HN )(resid 73 and name HN ) 5 5 0
assign (resid 4 and name HN )(resid 74 and name HA ) 3.3 3.3 0
!K5              
assign (resid 5 and name HA )(resid 5 and name HG* ) 3.3 3.3 0.6
assign (resid 5 and name HA )(resid 71 and name HA ) 2.7 2.7 0
assign (resid 5 and name HN )(resid 4 and name HA ) 2.7 2.7 0
!A6              
assign (resid 6 and name HA )(resid 7 and name HD1 ) 2.7 2.7 0
assign (resid 6 and name HA )(resid 7 and name HD2 ) 2.7 2.7 0
assign (resid 6 and name HN )(resid 5 and name HA ) 2.7 2.7 0
assign (resid 6 and name HN )(resid 6 and name HB* ) 2.7 2.7 1.1
assign (resid 6 and name HN )(resid 70 and name HN ) 3.3 3.3 0
!P7              
assign (resid 7 and name HD1 )(resid 6 and name HB* ) 3.3 3.3 1.5
assign (resid 7 and name HD2 )(resid 6 and name HB* ) 3.3 3.3 1.5
!T8              
assign (resid 8 and name HA )(resid 8 and name HG2* ) 2.7 2.7 1.1
assign (resid 8 and name HN )(resid 7 and name HA ) 2.7 2.7 0
assign (resid 8 and name HN )(resid 7 and name HB* ) 5 5 1
assign (resid 8 and name HN )(resid 7 and name HG* ) 5 5 1
assign (resid 8 and name HN )(resid 8 and name HB ) 3.3 3.3 0
assign (resid 8 and name HN )(resid 8 and name HG2* ) 5 5 1.5
!F9              
assign (resid 9 and name HA )(resid 10 and name HD1 ) 3.3 3.3 0
assign (resid 9 and name HA )(resid 10 and name HD2 ) 3.3 3.3 0
assign (resid 9 and name HB* )(resid 13 and name HB ) 2.7 2.7 1
assign (resid 9 and name HB* )(resid 13 and name HG2* ) 3.3 3.3 2.5
assign (resid 9 and name HD* )(resid 6 and name HB* ) 3.3 3.3 3.5
assign (resid 9 and name HD* )(resid 68 and name HA ) 5 5 2
assign (resid 9 and name HD* )(resid 68 and name HB1 ) 5 5 2
assign (resid 9 and name HD* )(resid 68 and name HB2 ) 5 5 2
assign (resid 9 and name HD* )(resid 8 and name HA ) 5 5 2
assign (resid 9 and name HD* )(resid 8 and name HB ) 5 5 2
assign (resid 9 and name HD* )(resid 8 and name HG2* ) 5 5 3.5
assign (resid 9 and name HD* )(resid 9 and name HA ) 2.7 2.7 1
assign (resid 9 and name HD* )(resid 9 and name HB* ) 3.3 3.3 3
assign (resid 9 and name HE* )(resid 6 and name HB* ) 3.3 3.3 3.5
assign (resid 9 and name HN )(resid 68 and name HA ) 5 5 0
assign (resid 9 and name HN )(resid 8 and name HG2* ) 5 5 1.5
assign (resid 9 and name HN )(resid 9 and name HB1 ) 5 5 0
assign (resid 9 and name HN )(resid 9 and name HB2 ) 5 5 0
assign (resid 9 and name HN )(resid 9 and name HB* ) 4.1 4.1 0!!
assign (resid 9 and name HN )(resid 9 and name HD* ) 3.3 3.3 2
!P10              
assign (resid 10 and name HA )(resid 10 and name HG* ) 5 5 0.6
assign (resid 10 and name HD* )(resid 10 and name HB* ) 5 5 2
!E11              
assign (resid 11 and name HA )(resid 11 and name HG* ) 3.3 3.3 0.6
assign (resid 11 and name HN )(resid 10 and name HA ) 3.3 3.3 0
assign (resid 11 and name HN )(resid 11 and name HB* ) 2.7 2.7 0.6
assign (resid 11 and name HN )(resid 12 and name HN ) 3.3 3.3 0
!S12              
assign (resid 12 and name HN )(resid 11 and name HB* ) 3.3 3.3 1
assign (resid 12 and name HN )(resid 11 and name HG* ) 5 5 1
assign (resid 12 and name HN )(resid 12 and name HA ) 2.7 2.7 0
assign (resid 12 and name HN )(resid 12 and name HB1 ) 3.3 3.3 0
assign (resid 12 and name HN )(resid 12 and name HB2 ) 3.3 3.3 0
assign (resid 12 and name HN )(resid 12 and name HB* ) 2.9 2.9 0!!
!I13              
assign (resid 13 and name HN )(resid 13 and name HB ) 2.7 2.7 0
assign (resid 13 and name HN )(resid 13 and name HD1* ) 5 5 1.5
assign (resid 13 and name HN )(resid 13 and name HG1* ) 3.3 3.3 1
assign (resid 13 and name HN )(resid 13 and name HG2* ) 5 5 1.5
!A14              
assign (resid 14 and name HN )(resid 13 and name HA ) 2.7 2.7 0
assign (resid 14 and name HN )(resid 13 and name HN ) 5 5 0
assign (resid 14 and name HN )(resid 14 and name HB* ) 2.7 2.7 1.1
assign (resid 14 and name HN )(resid 15 and name HN ) 2.7 2.7 0
!D15              
assign (resid 15 and name HA )(resid 15 and name HB1 ) 2.7 2.7 0
assign (resid 15 and name HA )(resid 15 and name HB2 ) 2.7 2.7 0
assign (resid 15 and name HN )(resid 13 and name HA ) 5 5 0
assign (resid 15 and name HN )(resid 13 and name HG2* ) 3.3 3.3 1.5
assign (resid 15 and name HN )(resid 14 and name HA ) 3.3 3.3 0
assign (resid 15 and name HN )(resid 14 and name HB* ) 3.3 3.3 1.5
assign (resid 15 and name HN )(resid 15 and name HB1 ) 5 5 0
assign (resid 15 and name HN )(resid 15 and name HB2 ) 5 5 0
assign (resid 15 and name HN )(resid 9 and name HD* ) 3.3 3.3 2
!G16              
assign (resid 16 and name HN )(resid 15 and name HB1 ) 3.3 3.3 0
assign (resid 16 and name HN )(resid 15 and name HB2 ) 3.3 3.3 0
assign (resid 16 and name HN )(resid 15 and name HB* ) 2.9 2.9 0!!
assign (resid 16 and name HN )(resid 66 and name HG* ) 5 5 3.4
assign (resid 16 and name HN )(resid 9 and name HD* ) 3.3 3.3 2
assign (resid 16 and name HN )(resid 9 and name HE* ) 5 5 2
!T17              
assign (resid 17 and name HA )(resid 17 and name HG2* ) 2.7 2.7 1.1
assign (resid 17 and name HA )(resid 18 and name HG2* ) 3.3 3.3 1.5
assign (resid 17 and name HA )(resid 65 and name HA ) 2.7 2.7 0
assign (resid 17 and name HA )(resid 65 and name HG2* ) 5 5 1.5
assign (resid 17 and name HN )(resid 16 and name HA* ) 3.3 3.3 1
assign (resid 17 and name HN )(resid 17 and name HB ) 3.3 3.3 0
!V18, stereo gamma            
assign (resid 18 and name HA )(resid 18 and name HG2* ) 2.7 2.7 1.1
assign (resid 18 and name HA )(resid 18 and name HG1* ) 2.7 2.7 1.1
assign (resid 18 and name HN )(resid 17 and name HA ) 2.7 2.7 0
assign (resid 18 and name HN )(resid 17 and name HB ) 5 5 0
assign (resid 18 and name HN )(resid 17 and name HG2* ) 3.3 3.3 1.5
assign (resid 18 and name HN )(resid 18 and name HB ) 2.7 2.7 0
assign (resid 18 and name HN )(resid 18 and name HG2* ) 2.7 2.7 1.5
assign (resid 18 and name HN )(resid 64 and name HN ) 5 5 0
assign (resid 18 and name HN )(resid 65 and name HA ) 5 5 0
!A19              
assign (resid 19 and name HN )(resid 18 and name HA ) 2.7 2.7 0
assign (resid 19 and name HN )(resid 19 and name HB* ) 2.7 2.7 1.1
assign (resid 19 and name HN )(resid 20 and name HN ) 3.3 3.3 0
!T20              
assign (resid 20 and name HA )(resid 20 and name HG2* ) 2.7 2.7 1.1
assign (resid 20 and name HB )(resid 37 and name HB2 ) 3.3 3.3 0
assign (resid 20 and name HN )(resid 19 and name HB* ) 2.7 2.7 1.5
assign (resid 20 and name HN )(resid 20 and name HB ) 3.3 3.3 0
assign (resid 20 and name HN )(resid 37 and name HB2 ) 5 5 0
!W21, stereo beta            
assign (resid 21 and name HD1 )(resid 18 and name HG2* ) 5 5 1.5
assign (resid 21 and name HD1 )(resid 18 and name HG1* ) 2.7 2.7 1.5
assign (resid 21 and name HD1 )(resid 20 and name HA ) 5 5 0
assign (resid 21 and name HD1 )(resid 21 and name HB1 ) 5 5 0
assign (resid 21 and name HD1 )(resid 21 and name HB2 ) 3.3 3.3 0
assign (resid 21 and name HD1 )(resid 36 and name HG2* ) 3.3 3.3 1.5
assign (resid 21 and name HD1 )(resid 58 and name HG1* ) 5 5 1
assign (resid 21 and name HD1 )(resid 58 and name HG2* ) 3.3 3.3 1.5
assign (resid 21 and name HD1 )(resid 62 and name HA ) 5 5 0
assign (resid 21 and name HD1 )(resid 62 and name HB* ) 5 5 1
assign (resid 21 and name HD1 )(resid 62 and name HG1 ) 3.3 3.3 0
assign (resid 21 and name HD1 )(resid 62 and name HG2 ) 3.3 3.3 0
assign (resid 21 and name HE1 )(resid 18 and name HB ) 5 5 0
assign (resid 21 and name HE1 )(resid 18 and name HG2* ) 5 5 1
assign (resid 21 and name HE1 )(resid 18 and name HG1* ) 2.7 2.7 1
assign (resid 21 and name HE1 )(resid 21 and name HH2 ) 5 5 0
assign (resid 21 and name HE1 )(resid 21 and name HZ2 ) 3.3 3.3 0
assign (resid 21 and name HE1 )(resid 36 and name HG2* ) 5 5 1
assign (resid 21 and name HE1 )(resid 58 and name HG1* ) 5 5 1
assign (resid 21 and name HE1 )(resid 58 and name HG2* ) 3.3 3.3 1.5
assign (resid 21 and name HE1 )(resid 62 and name HN ) 5 5 0
assign (resid 21 and name HE3 )(resid 21 and name HA ) 5 5 0
assign (resid 21 and name HE3 )(resid 21 and name HB1 ) 2.7 2.7 0
assign (resid 21 and name HE3 )(resid 21 and name HB2 ) 5 5 0
assign (resid 21 and name HE3 )(resid 36 and name HG2* ) 3.3 3.3 1.5
assign (resid 21 and name HE3 )(resid 58 and name HG1* ) 3.3 3.3 1
assign (resid 21 and name HE3 )(resid 58 and name HG2* ) 5 5 1.5
assign (resid 21 and name HN )(resid 20 and name HA ) 2.7 2.7 0
assign (resid 21 and name HN )(resid 20 and name HG2* ) 3.3 3.3 1.5
assign (resid 21 and name HN )(resid 21 and name HB1 ) 3.3 3.3 0
assign (resid 21 and name HN )(resid 21 and name HB2 ) 2.7 2.7 0
assign (resid 21 and name HN )(resid 21 and name HD1 ) 5 5 0
assign (resid 21 and name HN )(resid 62 and name HG1 ) 5 5 0
assign (resid 21 and name HN )(resid 62 and name HG2 ) 5 5 0
assign (resid 21 and name HN )(resid 62 and name HG* ) 4.1 4.1 0!!
assign (resid 21 and name HZ2 )(resid 18 and name HG1* ) 5 5 1
assign (resid 21 and name HZ2 )(resid 36 and name HG2* ) 5 5 1
assign (resid 21 and name HZ2 )(resid 58 and name HA ) 5 5 0
assign (resid 21 and name HZ2 )(resid 58 and name HB ) 5 5 0
assign (resid 21 and name HZ2 )(resid 58 and name HD1* ) 5 5 1.5
assign (resid 21 and name HZ2 )(resid 58 and name HG11 ) 5 5 0
assign (resid 21 and name HZ2 )(resid 58 and name HG12 ) 5 5 0
assign (resid 21 and name HZ2 )(resid 58 and name HG2* ) 2.7 2.7 1.5
assign (resid 21 and name HZ2 )(resid 72 and name HB1 ) 2.7 2.7 0
assign (resid 21 and name HZ2 )(resid 72 and name HB2 ) 3.3 3.3 0
!H22, stereo beta            
assign (resid 22 and name HD2 )(resid 20 and name HB ) 5 5 0
assign (resid 22 and name HD2 )(resid 20 and name HG2* ) 3.3 3.3 1.5
assign (resid 22 and name HD2 )(resid 22 and name HE1 ) 5 5 0
assign (resid 22 and name HD2 )(resid 34 and name HD* ) 3.3 3.3 3.4
assign (resid 22 and name HE1 )(resid 20 and name HB ) 5 5 0
assign (resid 22 and name HE1 )(resid 20 and name HG2* ) 5 5 1.5
assign (resid 22 and name HE1 )(resid 21 and name HA ) 5 5 0
assign (resid 22 and name HE1 )(resid 22 and name HB2 ) 5 5 0
assign (resid 22 and name HE1 )(resid 34 and name HB* ) 5 5 1
assign (resid 22 and name HE1 )(resid 34 and name HD* ) 3.3 3.3 3.4
assign (resid 22 and name HE1 )(resid 34 and name HG ) 3.3 3.3 0
assign (resid 22 and name HE1 )(resid 35 and name HA ) 5 5 0
assign (resid 22 and name HE1 )(resid 36 and name HA ) 3.3 3.3 0
assign (resid 22 and name HE1 )(resid 36 and name HB ) 5 5 0
assign (resid 22 and name HE1 )(resid 36 and name HG2* ) 5 5 1.5
assign (resid 22 and name HN )(resid 21 and name HA ) 3.3 3.3 0
assign (resid 22 and name HN )(resid 22 and name HB2 ) 3.3 3.3 0
assign (resid 22 and name HN )(resid 22 and name HE1 ) 5 5 0
assign (resid 22 and name HN )(resid 23 and name HN ) 3.3 3.3 0
assign (resid 22 and name HN )(resid 36 and name HA ) 5 5 0
!K23              
assign (resid 23 and name HN )(resid 21 and name HB1 ) 5 5 0
assign (resid 23 and name HN )(resid 22 and name HA ) 5 5 0
assign (resid 23 and name HN )(resid 22 and name HB2 ) 5 5 0
assign (resid 23 and name HN )(resid 23 and name HB* ) 3.3 3.3 0.6
assign (resid 23 and name HN )(resid 23 and name HG* ) 5 5 1
!K24              
assign (resid 24 and name HN )(resid 23 and name HA ) 2.7 2.7 0
assign (resid 24 and name HN )(resid 23 and name HB* ) 3.3 3.3 1
assign (resid 24 and name HN )(resid 27 and name HB* ) 3.3 3.3 1
assign (resid 24 and name HN )(resid 27 and name HG* ) 2.7 2.7 1
!P25              
assign (resid 25 and name HA )(resid 25 and name HG* ) 5 5 0.6
assign (resid 25 and name HA )(resid 55 and name HB ) 2.7 2.7 0
assign (resid 25 and name HA )(resid 55 and name HG1* ) 3.3 3.3 1
assign (resid 25 and name HA )(resid 55 and name HG2* ) 2.7 2.7 1.5
assign (resid 25 and name HD1 )(resid 24 and name HA ) 2.7 2.7 0
assign (resid 25 and name HD2 )(resid 24 and name HA ) 2.7 2.7 0
assign (resid 25 and name HD1 )(resid 58 and name HG1* ) 3.3 3.3 1
assign (resid 25 and name HD2 )(resid 58 and name HG1* ) 3.3 3.3 1
!G26              
assign (resid 26 and name HN )(resid 25 and name HA ) 2.7 2.7 0
assign (resid 26 and name HN )(resid 25 and name HB* ) 3.3 3.3 1
assign (resid 26 and name HN )(resid 27 and name HN ) 2.7 2.7 0
assign (resid 26 and name HN )(resid 55 and name HB ) 3.3 3.3 0
assign (resid 26 and name HN )(resid 55 and name HG2* ) 3.3 3.3 1.5
!E27              
assign (resid 27 and name HN )(resid 26 and name HA1 ) 5 5 0
assign (resid 27 and name HN )(resid 26 and name HA2 ) 5 5 0
assign (resid 27 and name HN )(resid 27 and name HB* ) 3.3 3.3 0.6
assign (resid 27 and name HN )(resid 27 and name HG* ) 3.3 3.3 1
!A28              
assign (resid 28 and name HN )(resid 27 and name HA ) 2.7 2.7 0
assign (resid 28 and name HN )(resid 27 and name HB* ) 2.7 2.7 1
assign (resid 28 and name HN )(resid 27 and name HG1 ) 5 5 0
assign (resid 28 and name HN )(resid 27 and name HG2 ) 5 5 0
assign (resid 28 and name HN )(resid 28 and name HB* ) 2.7 2.7 1.1
!V29              
assign (resid 29 and name HN )(resid 28 and name HA ) 2.7 2.7 0
assign (resid 29 and name HN )(resid 28 and name HB* ) 3.3 3.3 1.5
assign (resid 29 and name HN )(resid 29 and name HG* ) 2.7 2.7 2.7
assign (resid 29 and name HN )(resid 53 and name HN ) 3.3 3.3 0
!K30              
assign (resid 30 and name HN )(resid 29 and name HA ) 3.3 3.3 0
assign (resid 30 and name HN )(resid 29 and name HG* ) 2.7 2.7 3.4
assign (resid 30 and name HN )(resid 30 and name HB* ) 2.7 2.7 0.6
assign (resid 30 and name HN )(resid 33 and name HB1 ) 3.3 3.3 0
assign (resid 30 and name HN )(resid 33 and name HB2 ) 3.3 3.3 0
!R31              
assign (resid 31 and name HA )(resid 31 and name HG* ) 2.7 2.7 0.6
assign (resid 31 and name HD* )(resid 31 and name HB* ) 3.3 3.3 2
assign (resid 31 and name HE )(resid 31 and name HD* ) 5 5 1
assign (resid 31 and name HN )(resid 30 and name HA ) 2.7 2.7 0
assign (resid 31 and name HN )(resid 31 and name HA ) 2.7 2.7 0
assign (resid 31 and name HN )(resid 31 and name HB* ) 2.7 2.7 0.6
assign (resid 31 and name HN )(resid 31 and name HG* ) 5 5 1
assign (resid 31 and name HN )(resid 52 and name HA ) 5 5 0
assign (resid 31 and name HN )(resid 52 and name HB2 ) 5 5 0
assign (resid 31 and name HN )(resid 52 and name HN ) 3.3 3.3 0
!D32, stereo beta            
assign (resid 32 and name HA )(resid 32 and name HB2 ) 2.7 2.7 0
assign (resid 32 and name HN )(resid 31 and name HA ) 2.7 2.7 0
assign (resid 32 and name HN )(resid 31 and name HB* ) 5 5 1
assign (resid 32 and name HN )(resid 31 and name HG* ) 5 5 1
assign (resid 32 and name HN )(resid 32 and name HA ) 2.7 2.7 0
assign (resid 32 and name HN )(resid 33 and name HN ) 2.7 2.7 0
assign (resid 32 and name HN )(resid 49 and name HB* ) 5 5 1.5
!E33              
assign (resid 33 and name HN )(resid 32 and name HB1 ) 5 5 0
assign (resid 33 and name HN )(resid 33 and name HB1 ) 3.3 3.3 0
assign (resid 33 and name HN )(resid 33 and name HB2 ) 3.3 3.3 0
assign (resid 33 and name HN )(resid 33 and name HB* ) 2.9 2.9 0!!
assign (resid 33 and name HN )(resid 49 and name HB* ) 3.3 3.3 1.5
!L34              
assign (resid 34 and name HB1 )(resid 34 and name HD* ) 2.7 2.7 3.4
assign (resid 34 and name HB2 )(resid 34 and name HD* ) 2.7 2.7 3.4
assign (resid 34 and name HN )(resid 33 and name HA ) 2.7 2.7 0
assign (resid 34 and name HN )(resid 33 and name HB* ) 5 5 1
assign (resid 34 and name HN )(resid 34 and name HA ) 2.7 2.7 0
assign (resid 34 and name HN )(resid 34 and name HB1 ) 2.7 2.7 0
assign (resid 34 and name HN )(resid 34 and name HB2 ) 2.7 2.7 0
assign (resid 34 and name HN )(resid 34 and name HD* ) 5 5 3.4
assign (resid 34 and name HN )(resid 34 and name HG ) 5 5 0
!I35              
assign (resid 35 and name HN )(resid 34 and name HA ) 2.7 2.7 0
assign (resid 35 and name HN )(resid 36 and name HN ) 2.7 2.7 0
assign (resid 35 and name HN )(resid 48 and name HA ) 3.3 3.3 0
!V36, stereo gamma            
assign (resid 36 and name HA )(resid 21 and name HA ) 3.3 3.3 0
assign (resid 36 and name HA )(resid 36 and name HB ) 2.7 2.7 0
assign (resid 36 and name HA )(resid 36 and name HG1* ) 3.3 3.3 1.1
assign (resid 36 and name HA )(resid 36 and name HG2* ) 2.7 2.7 1.1
assign (resid 36 and name HN )(resid 22 and name HE1 ) 5 5 0
assign (resid 36 and name HN )(resid 34 and name HA ) 5 5 0
assign (resid 36 and name HN )(resid 35 and name HA ) 5 5 0
assign (resid 36 and name HN )(resid 35 and name HB ) 2.7 2.7 0
assign (resid 36 and name HN )(resid 36 and name HB ) 5 5 0
assign (resid 36 and name HN )(resid 36 and name HG1* ) 3.3 3.3 1.5
assign (resid 36 and name HN )(resid 36 and name HG2* ) 5 5 1.5
assign (resid 36 and name HN )(resid 46 and name HB* ) 5 5 1
assign (resid 36 and name HN )(resid 47 and name HB ) 2.7 2.7 0
!D37, stereo beta            
assign (resid 37 and name HA )(resid 36 and name HG2* ) 5 5 1.5
assign (resid 37 and name HA )(resid 46 and name HA ) 2.7 2.7 0
assign (resid 37 and name HB2 )(resid 19 and name HB* ) 5 5 1.5
assign (resid 37 and name HB1 )(resid 19 and name HB* ) 5 5 1.5
assign (resid 37 and name HN )(resid 20 and name HN ) 5 5 0
assign (resid 37 and name HN )(resid 22 and name HE1 ) 5 5 0
assign (resid 37 and name HN )(resid 36 and name HA ) 2.7 2.7 0
assign (resid 37 and name HN )(resid 36 and name HG1* ) 5 5 1.5
assign (resid 37 and name HN )(resid 36 and name HG2* ) 3.3 3.3 1.5
!I38              
assign (resid 38 and name HA )(resid 18 and name HA ) 3.3 3.3 0
assign (resid 38 and name HN )(resid 37 and name HA ) 2.7 2.7 0
assign (resid 38 and name HN )(resid 37 and name HB2 ) 5 5 0
assign (resid 38 and name HN )(resid 37 and name HB1 ) 5 5 0
assign (resid 38 and name HN )(resid 38 and name HB ) 3.3 3.3 0
assign (resid 38 and name HN )(resid 46 and name HA ) 5 5 0
!E39              
assign (resid 39 and name HN )(resid 17 and name HN ) 3.3 3.3 0
assign (resid 39 and name HN )(resid 18 and name HA ) 3.3 3.3 0
assign (resid 39 and name HN )(resid 19 and name HB* ) 5 5 1.5
assign (resid 39 and name HN )(resid 38 and name HA ) 2.7 2.7 0
assign (resid 39 and name HN )(resid 39 and name HB* ) 5 5 0.6
assign (resid 39 and name HN )(resid 39 and name HG* ) 5 5 1
!T40              
assign (resid 40 and name HN )(resid 39 and name HA ) 3.3 3.3 0
assign (resid 40 and name HN )(resid 39 and name HG* ) 5 5 1
assign (resid 40 and name HN )(resid 40 and name HG2* ) 5 5 1.5
assign (resid 40 and name HN )(resid 43 and name HN ) 3.3 3.3 0
assign (resid 40 and name HN )(resid 44 and name HA ) 3.3 3.3 0
!D41              
assign (resid 41 and name HN )(resid 40 and name HA ) 3.3 3.3 0
assign (resid 41 and name HN )(resid 41 and name HA ) 2.7 2.7 0
assign (resid 41 and name HN )(resid 41 and name HB1 ) 3.3 3.3 0
assign (resid 41 and name HN )(resid 41 and name HB2 ) 3.3 3.3 0
assign (resid 41 and name HN )(resid 42 and name HN ) 3.3 3.3 0
!K42, stereo beta            
assign (resid 42 and name HN )(resid 41 and name HA ) 5 5 0
assign (resid 42 and name HN )(resid 41 and name HB1 ) 5 5 0
assign (resid 42 and name HN )(resid 41 and name HB2 ) 5 5 0
assign (resid 42 and name HN )(resid 42 and name HB2 ) 3.3 3.3 0
assign (resid 42 and name HN )(resid 43 and name HN ) 2.7 2.7 0
!V43, stereo gamma            
assign (resid 43 and name HN )(resid 42 and name HA ) 5 5 0
assign (resid 43 and name HN )(resid 42 and name HB2 ) 5 5 0
assign (resid 43 and name HN )(resid 43 and name HB ) 3.3 3.3 0
assign (resid 43 and name HN )(resid 43 and name HG2* ) 3.3 3.3 1.5
!V44              
assign (resid 44 and name HA )(resid 44 and name HG* ) 2.7 2.7 1.6
assign (resid 44 and name HN )(resid 43 and name HA ) 2.7 2.7 0
assign (resid 44 and name HN )(resid 44 and name HB ) 3.3 3.3 0
assign (resid 44 and name HN )(resid 44 and name HG* ) 5 5 2.7
!M45, stereo beta            
assign (resid 45 and name HN )(resid 38 and name HN ) 3.3 3.3 0
assign (resid 45 and name HN )(resid 44 and name HG1* ) 5 5 1.5
assign (resid 45 and name HN )(resid 44 and name HG2* ) 5 5 1.5
assign (resid 45 and name HN )(resid 44 and name HG* ) 5.2 5.2 0!!
assign (resid 45 and name HN )(resid 45 and name HB1 ) 5 5 0
assign (resid 45 and name HN )(resid 45 and name HB2 ) 2.7 2.7 0
assign (resid 45 and name HN )(resid 45 and name HG* ) 3.3 3.3 1
!E46              
assign (resid 46 and name HN )(resid 45 and name HA ) 5 5 0
assign (resid 46 and name HN )(resid 46 and name HB* ) 3.3 3.3 0.6
!V47              
assign (resid 47 and name HB )(resid 36 and name HG1* ) 2.7 2.7 1.5
assign (resid 47 and name HB )(resid 36 and name HG2* ) 3.3 3.3 1.5
assign (resid 47 and name HN )(resid 36 and name HN ) 3.3 3.3 0
assign (resid 47 and name HN )(resid 37 and name HA ) 3.3 3.3 0
assign (resid 47 and name HN )(resid 46 and name HA ) 5 5 0
assign (resid 47 and name HN )(resid 47 and name HG* ) 3.3 3.3 2.7
!L48              
assign (resid 48 and name HN )(resid 47 and name HA ) 2.7 2.7 0
assign (resid 48 and name HN )(resid 47 and name HG* ) 3.3 3.3 3.4
assign (resid 48 and name HN )(resid 48 and name HB1 ) 3.3 3.3 0
assign (resid 48 and name HN )(resid 48 and name HB2 ) 3.3 3.3 0
!A49              
assign (resid 49 and name HN )(resid 33 and name HN ) 3.3 3.3 0
assign (resid 49 and name HN )(resid 48 and name HA ) 2.7 2.7 0
assign (resid 49 and name HN )(resid 48 and name HB* ) 3.3 3.3 1
assign (resid 49 and name HN )(resid 49 and name HB* ) 2.7 2.7 1.1
!E50              
assign (resid 50 and name HN )(resid 49 and name HA ) 2.7 2.7 0
assign (resid 50 and name HN )(resid 49 and name HB* ) 3.3 3.3 1.5
assign (resid 50 and name HN )(resid 50 and name HB1 ) 3.3 3.3 0
assign (resid 50 and name HN )(resid 50 and name HB2 ) 3.3 3.3 0
assign (resid 50 and name HN )(resid 50 and name HB* ) 2.9 2.9 0!!
assign (resid 50 and name HN )(resid 50 and name HG1 ) 5 5 0
assign (resid 50 and name HN )(resid 50 and name HG2 ) 5 5 0
assign (resid 50 and name HN )(resid 50 and name HG* ) 4.1 4.1 0!!
assign (resid 50 and name HN )(resid 51 and name HN ) 2.7 2.7 0
!A51              
assign (resid 51 and name HA )(resid 31 and name HA ) 5 5 0
assign (resid 51 and name HN )(resid 31 and name HA ) 5 5 0
assign (resid 51 and name HN )(resid 49 and name HB* ) 2.7 2.7 1.5
assign (resid 51 and name HN )(resid 50 and name HA ) 3.3 3.3 0
assign (resid 51 and name HN )(resid 50 and name HB1 ) 5 5 0
assign (resid 51 and name HN )(resid 50 and name HB2 ) 5 5 0
assign (resid 51 and name HN )(resid 50 and name HB* ) 4.1 4.1 0!!
assign (resid 51 and name HN )(resid 51 and name HB* ) 2.7 2.7 1.1
assign (resid 51 and name HN )(resid 75 and name HD* ) 5 5 3.4
!D52, stereo beta            
assign (resid 52 and name HN )(resid 31 and name HA ) 5 5 0
assign (resid 52 and name HN )(resid 31 and name HB1 ) 5 5 0
assign (resid 52 and name HN )(resid 31 and name HB2 ) 5 5 0
assign (resid 52 and name HN )(resid 31 and name HB* ) 4.1 4.1 0!!
assign (resid 52 and name HN )(resid 51 and name HA ) 2.7 2.7 0
assign (resid 52 and name HN )(resid 51 and name HB* ) 2.7 2.7 1.5
assign (resid 52 and name HN )(resid 51 and name HN ) 5 5 0
assign (resid 52 and name HN )(resid 52 and name HB2 ) 3.3 3.3 0
assign (resid 52 and name HN )(resid 52 and name HB1 ) 2.7 2.7 0
!G53              
assign (resid 53 and name HN )(resid 29 and name HG* ) 3.3 3.3 3.4
assign (resid 53 and name HN )(resid 52 and name HA ) 2.7 2.7 0
assign (resid 53 and name HN )(resid 52 and name HB2 ) 3.3 3.3 0
assign (resid 53 and name HN )(resid 52 and name HB1 ) 5 5 0
!V54, stereo gamma            
assign (resid 54 and name HA )(resid 54 and name HG2* ) 2.7 2.7 1.1
assign (resid 54 and name HA )(resid 54 and name HG1* ) 2.7 2.7 1.1
assign (resid 54 and name HN )(resid 54 and name HB ) 2.7 2.7 0
assign (resid 54 and name HN )(resid 54 and name HG2* ) 3.3 3.3 1.5
assign (resid 54 and name HN )(resid 54 and name HG1* ) 3.3 3.3 1.5
!I55              
assign (resid 55 and name HA )(resid 55 and name HD1* ) 2.7 2.7 1.5
assign (resid 55 and name HA )(resid 55 and name HG11 ) 5 5 0
assign (resid 55 and name HA )(resid 55 and name HG12 ) 5 5 0
assign (resid 55 and name HA )(resid 55 and name HG1* ) 4.1 4.1 0!!
assign (resid 55 and name HA )(resid 55 and name HG2* ) 2.7 2.7 1.1
assign (resid 55 and name HN )(resid 54 and name HA ) 2.7 2.7 0
assign (resid 55 and name HN )(resid 54 and name HB ) 5 5 0
assign (resid 55 and name HN )(resid 54 and name HG2* ) 3.3 3.3 1.5
assign (resid 55 and name HN )(resid 55 and name HB ) 3.3 3.3 0
assign (resid 55 and name HN )(resid 55 and name HG11 ) 3.3 3.3 0
assign (resid 55 and name HN )(resid 55 and name HG12 ) 3.3 3.3 0
assign (resid 55 and name HN )(resid 55 and name HG2* ) 5 5 1.5
!A56              
assign (resid 56 and name HN )(resid 55 and name HA ) 2.7 2.7 0
assign (resid 56 and name HN )(resid 55 and name HG2* ) 3.3 3.3 1.5
assign (resid 56 and name HN )(resid 56 and name HB* ) 2.7 2.7 1.1
assign (resid 56 and name HN )(resid 57 and name HN ) 2.7 2.7 0
assign (resid 56 and name HN )(resid 75 and name HA ) 3.3 3.3 0
!E57              
assign (resid 57 and name HN )(resid 55 and name HA ) 5 5 0
assign (resid 57 and name HN )(resid 55 and name HG2* ) 3.3 3.3 1.5
assign (resid 57 and name HN )(resid 56 and name HA ) 5 5 0
assign (resid 57 and name HN )(resid 56 and name HB* ) 2.7 2.7 1.5
assign (resid 57 and name HN )(resid 57 and name HB* ) 3.3 3.3 1.1
assign (resid 57 and name HN )(resid 74 and name HB* ) 5 5 1
!I58              
assign (resid 58 and name HA )(resid 58 and name HG11 ) 5 5 0
assign (resid 58 and name HA )(resid 58 and name HG12 ) 5 5 0
assign (resid 58 and name HA )(resid 58 and name HG1* ) 4.1 4.1 0!!
assign (resid 58 and name HA )(resid 58 and name HG2* ) 2.7 2.7 1.1
assign (resid 58 and name HD1* )(resid 58 and name HG1* ) 2.7 2.7 2.5
assign (resid 58 and name HG2* )(resid 58 and name HG11 ) 3.3 3.3 1.5
assign (resid 58 and name HG2* )(resid 58 and name HG12 ) 3.3 3.3 1.5
assign (resid 58 and name HN )(resid 57 and name HA ) 2.7 2.7 0
assign (resid 58 and name HN )(resid 57 and name HN ) 5 5 0
assign (resid 58 and name HN )(resid 58 and name HB ) 2.7 2.7 0
assign (resid 58 and name HN )(resid 58 and name HG11 ) 5 5 0
assign (resid 58 and name HN )(resid 58 and name HG12 ) 5 5 0
!V59, stereo gamma            
assign (resid 59 and name HN )(resid 58 and name HA ) 2.7 2.7 0
assign (resid 59 and name HN )(resid 58 and name HG2* ) 3.3 3.3 1.5
assign (resid 59 and name HN )(resid 59 and name HB ) 2.7 2.7 0
assign (resid 59 and name HN )(resid 59 and name HG2* ) 3.3 3.3 1.5
assign (resid 59 and name HN )(resid 60 and name HN ) 2.7 2.7 0
assign (resid 59 and name HN )(resid 73 and name HA1 ) 5 5 0
assign (resid 59 and name HN )(resid 73 and name HA2 ) 5 5 0
assign (resid 59 and name HN )(resid 73 and name HA* ) 3.9 3.9 0!!
!K60              
assign (resid 60 and name HN )(resid 58 and name HA ) 5 5 0
assign (resid 60 and name HN )(resid 58 and name HG2* ) 3.3 3.3 1.5
assign (resid 60 and name HN )(resid 59 and name HA ) 5 5 0
assign (resid 60 and name HN )(resid 59 and name HB ) 3.3 3.3 0
assign (resid 60 and name HN )(resid 59 and name HG1* ) 5 5 1.5
assign (resid 60 and name HN )(resid 59 and name HG2* ) 5 5 1.5
assign (resid 60 and name HN )(resid 60 and name HB1 ) 3.3 3.3 0
assign (resid 60 and name HN )(resid 60 and name HB2 ) 3.3 3.3 0
!N61, stereo beta            
assign (resid 61 and name HD2* )(resid 61 and name HB1 ) 5 5 1
assign (resid 61 and name HD21 )(resid 61 and name HB2 ) 5 5 0
assign (resid 61 and name HD22 )(resid 61 and name HB2 ) 5 5 0
assign (resid 61 and name HD2* )(resid 61 and name HB2 ) 3.9 3.9 0!!
assign (resid 61 and name HD2* )(resid 58 and name HG2* ) 5 5 2.5
assign (resid 61 and name HN )(resid 58 and name HG2* ) 5 5 1.5
assign (resid 61 and name HN )(resid 60 and name HA ) 2.7 2.7 0
assign (resid 61 and name HN )(resid 60 and name HB* ) 3.3 3.3 1
assign (resid 61 and name HN )(resid 61 and name HB1 ) 5 5 0
assign (resid 61 and name HN )(resid 61 and name HB2 ) 2.7 2.7 0
assign (resid 61 and name HN )(resid 61 and name HD21 ) 5 5 0
assign (resid 61 and name HN )(resid 61 and name HD22 ) 5 5 0
assign (resid 61 and name HN )(resid 61 and name HD2* ) 4.1 4.1 0!!
assign (resid 61 and name HN )(resid 64 and name HB1 ) 3.3 3.3 0
assign (resid 61 and name HN )(resid 64 and name HB2 ) 5 5 0
!E62              
assign (resid 62 and name HA )(resid 18 and name HG1* ) 2.7 2.7 1.5
assign (resid 62 and name HA )(resid 62 and name HG* ) 3.3 3.3 0.6
assign (resid 62 and name HN )(resid 21 and name HD1 ) 3.3 3.3 0
assign (resid 62 and name HN )(resid 58 and name HG2* ) 5 5 1.5
assign (resid 62 and name HN )(resid 61 and name HA ) 2.7 2.7 0
assign (resid 62 and name HN )(resid 61 and name HB1 ) 2.7 2.7 0
assign (resid 62 and name HN )(resid 61 and name HB2 ) 5 5 0
assign (resid 62 and name HN )(resid 62 and name HB* ) 2.7 2.7 0.6
assign (resid 62 and name HN )(resid 62 and name HG1 ) 3.3 3.3 0
assign (resid 62 and name HN )(resid 62 and name HG2 ) 3.3 3.3 0
assign (resid 62 and name HN )(resid 62 and name HG* ) 2.9 2.9 0!!
!G63              
assign (resid 63 and name HA* )(resid 62 and name HG* ) 5 5 2
assign (resid 63 and name HA* )(resid 17 and name HG2* ) 2.7 2.7 2.5
assign (resid 63 and name HN )(resid 17 and name HG2* ) 3.3 3.3 1.5
assign (resid 63 and name HN )(resid 18 and name HB ) 5 5 0
assign (resid 63 and name HN )(resid 18 and name HG2* ) 5 5 1.5
assign (resid 63 and name HN )(resid 18 and name HG1* ) 3.3 3.3 1.5
assign (resid 63 and name HN )(resid 18 and name HN ) 5 5 0
assign (resid 63 and name HN )(resid 62 and name HA ) 2.7 2.7 0
assign (resid 63 and name HN )(resid 64 and name HN ) 2.7 2.7 0
!D64, stereo beta            
assign (resid 64 and name HN )(resid 17 and name HG2* ) 5 5 1.5
assign (resid 64 and name HN )(resid 18 and name HB ) 3.3 3.3 0
assign (resid 64 and name HN )(resid 62 and name HA ) 3.3 3.3 0
assign (resid 64 and name HN )(resid 63 and name HA1 ) 5 5 0
assign (resid 64 and name HN )(resid 63 and name HA2 ) 5 5 0
assign (resid 64 and name HN )(resid 64 and name HB1 ) 2.7 2.7 0
assign (resid 64 and name HN )(resid 64 and name HB2 ) 3.3 3.3 0
!T65              
assign (resid 65 and name HA )(resid 65 and name HG2* ) 2.7 2.7 1.1
assign (resid 65 and name HN )(resid 64 and name HA ) 2.7 2.7 0
assign (resid 65 and name HN )(resid 64 and name HB1 ) 5 5 0
assign (resid 65 and name HN )(resid 64 and name HB2 ) 3.3 3.3 0
assign (resid 65 and name HN )(resid 65 and name HB ) 2.7 2.7 0
assign (resid 65 and name HN )(resid 65 and name HG2* ) 3.3 3.3 1.5
!V66              
assign (resid 66 and name HN )(resid 16 and name HN ) 3.3 3.3 0
assign (resid 66 and name HN )(resid 17 and name HA ) 3.3 3.3 0
assign (resid 66 and name HN )(resid 65 and name HA ) 2.7 2.7 0
assign (resid 66 and name HN )(resid 65 and name HG2* ) 2.7 2.7 1.5
assign (resid 66 and name HN )(resid 66 and name HB ) 5 5 0
assign (resid 66 and name HN )(resid 66 and name HG* ) 2.7 2.7 2.7
!L67              
assign (resid 67 and name HN )(resid 66 and name HA ) 3.3 3.3 0
assign (resid 67 and name HN )(resid 66 and name HB ) 3.3 3.3 0
assign (resid 67 and name HN )(resid 70 and name HB1 ) 3.3 3.3 0
!S68              
assign (resid 68 and name HA )(resid 6 and name HB* ) 3.3 3.3 1.5
assign (resid 68 and name HN )(resid 67 and name HA ) 3.3 3.3 0
assign (resid 68 and name HN )(resid 67 and name HB* ) 5 5 1
assign (resid 68 and name HN )(resid 68 and name HB1 ) 3.3 3.3 0
assign (resid 68 and name HN )(resid 68 and name HB2 ) 3.3 3.3 0
assign (resid 68 and name HN )(resid 68 and name HB* ) 2.9 2.9 0!!
assign (resid 68 and name HN )(resid 69 and name HN ) 5 5 0
assign (resid 68 and name HN )(resid 9 and name HD* ) 3.3 3.3 2
!G69              
assign (resid 69 and name HA* )(resid 6 and name HB* ) 5 5 2.5
assign (resid 69 and name HA* )(resid 68 and name HA ) 5 5 1
assign (resid 69 and name HN )(resid 6 and name HB* ) 3.3 3.3 1.5
assign (resid 69 and name HN )(resid 68 and name HA ) 2.7 2.7 0
assign (resid 69 and name HN )(resid 8 and name HA ) 5 5 0
!E70, stereo beta            
assign (resid 70 and name HA )(resid 70 and name HG* ) 3.3 3.3 0.6
assign (resid 70 and name HN )(resid 6 and name HB* ) 2.7 2.7 1.5
assign (resid 70 and name HN )(resid 68 and name HA ) 5 5 0
assign (resid 70 and name HN )(resid 69 and name HA* ) 3.3 3.3 1
assign (resid 70 and name HN )(resid 69 and name HN ) 5 5 0
assign (resid 70 and name HN )(resid 70 and name HB1 ) 2.7 2.7 0
assign (resid 70 and name HN )(resid 70 and name HB2 ) 3.3 3.3 0
assign (resid 70 and name HN )(resid 70 and name HG* ) 5 5 1
!L71              
assign (resid 71 and name HN )(resid 70 and name HA ) 2.7 2.7 0
assign (resid 71 and name HN )(resid 70 and name HN ) 5 5 0
assign (resid 71 and name HN )(resid 71 and name HB1 ) 2.7 2.7 0
assign (resid 71 and name HN )(resid 71 and name HB2 ) 2.7 2.7 0
assign (resid 71 and name HN )(resid 71 and name HD* ) 5 5 3.4
assign (resid 71 and name HN )(resid 71 and name HG ) 5 5 0
!L72, stereo beta            
assign (resid 72 and name HN )(resid 5 and name HA ) 2.7 2.7 0
assign (resid 72 and name HN )(resid 6 and name HN ) 5 5 0
assign (resid 72 and name HN )(resid 71 and name HA ) 2.7 2.7 0
assign (resid 72 and name HN )(resid 72 and name HB1 ) 5 5 0
assign (resid 72 and name HN )(resid 72 and name HB2 ) 3.3 3.3 0
assign (resid 72 and name HN )(resid 72 and name HD1* ) 5 5 1.5
assign (resid 72 and name HN )(resid 72 and name HD2* ) 5 5 1.5
assign (resid 72 and name HN )(resid 72 and name HG ) 2.7 2.7 0
assign (resid 72 and name HN )(resid 73 and name HN ) 2.7 2.7 0
!G73              
assign (resid 73 and name HA* )(resid 58 and name HA ) 3.3 3.3 1
assign (resid 73 and name HN )(resid 4 and name HB ) 3.3 3.3 0
assign (resid 73 and name HN )(resid 5 and name HA ) 5 5 0
assign (resid 73 and name HN )(resid 71 and name HA ) 5 5 0
assign (resid 73 and name HN )(resid 72 and name HA ) 5 5 0
assign (resid 73 and name HN )(resid 72 and name HB1 ) 5 5 0
assign (resid 73 and name HN )(resid 72 and name HB2 ) 3.3 3.3 0
assign (resid 73 and name HN )(resid 72 and name HG ) 5 5 0
!K74              
assign (resid 74 and name HA )(resid 74 and name HG1 ) 5 5 0
assign (resid 74 and name HA )(resid 74 and name HG2 ) 5 5 0
assign (resid 74 and name HA )(resid 74 and name HG* ) 4.1 4.1 0!!
assign (resid 74 and name HN )(resid 57 and name HN ) 2.7 2.7 0
assign (resid 74 and name HN )(resid 58 and name HA ) 5 5 0
assign (resid 74 and name HN )(resid 73 and name HA1 ) 3.3 3.3 0
assign (resid 74 and name HN )(resid 73 and name HA2 ) 3.3 3.3 0
assign (resid 74 and name HN )(resid 73 and name HA* ) 2.9 2.9 0!!
assign (resid 74 and name HN )(resid 73 and name HN ) 5 5 0
!L75              
assign (resid 75 and name HA )(resid 55 and name HA ) 2.7 2.7 0
assign (resid 75 and name HN )(resid 2 and name HN ) 3.3 3.3 0
assign (resid 75 and name HN )(resid 74 and name HA ) 2.7 2.7 0
assign (resid 75 and name HN )(resid 75 and name HB1 ) 2.7 2.7 0
assign (resid 75 and name HN )(resid 75 and name HB2 ) 2.7 2.7 0
assign (resid 75 and name HN )(resid 75 and name HD* ) 5 5 3.4
!T76              
assign (resid 76 and name HA )(resid 76 and name HG2* ) 2.7 2.7 1.1
assign (resid 76 and name HN )(resid 54 and name HN ) 3.3 3.3 0
assign (resid 76 and name HN )(resid 55 and name HA ) 3.3 3.3 0
assign (resid 76 and name HN )(resid 56 and name HB* ) 5 5 1.5
assign (resid 76 and name HN )(resid 75 and name HA ) 2.7 2.7 0
assign (resid 76 and name HN )(resid 75 and name HB* ) 3.3 3.3 1
assign (resid 76 and name HN )(resid 76 and name HB ) 2.7 2.7 0
assign (resid 76 and name HN )(resid 76 and name HG2* ) 3.3 3.3 1.5
!E77, stereo beta            
assign (resid 77 and name HA )(resid 77 and name HB1 ) 2.7 2.7 0
assign (resid 77 and name HA )(resid 77 and name HG* ) 2.7 2.7 0.6
assign (resid 77 and name HN )(resid 75 and name HD* ) 5 5 3.4
assign (resid 77 and name HN )(resid 76 and name HA ) 2.7 2.7 0
assign (resid 77 and name HN )(resid 76 and name HB ) 3.3 3.3 0
assign (resid 77 and name HN )(resid 76 and name HG2* ) 3.3 3.3 1.5
assign (resid 77 and name HN )(resid 77 and name HB1 ) 5 5 0
assign (resid 77 and name HN )(resid 77 and name HB2 ) 3.3 3.3 0
assign (resid 77 and name HN )(resid 77 and name HG* ) 3.3 3.3 1
assign (resid 77 and name HN )(resid 78 and name HN ) 5 5 0
!G78              
assign (resid 78 and name HN )(resid 77 and name HB1 ) 3.3 3.3 0
assign (resid 78 and name HN )(resid 77 and name HB2 ) 5 5 0
 
             
!!H-BOND CONSTRAINTS

!!H-bond between 72 HN and 4 CO
assign (resid 72 and name N )(resid 4 and name O ) 2.9 0.4 0.4
assign (resid 72 and name HN )(resid 4 and name O ) 1.9 0.4 0.4

!!H-bond between 66 HN and 16 CO
assign (resid 66 and name N )(resid 16 and name O ) 2.9 0.4 0.4
assign (resid 66 and name HN )(resid 16 and name O ) 1.9 0.4 0.4

!!H-bond between 19 HN and 37 CO
assign (resid 19 and name N )(resid 37 and name O ) 2.9 0.4 0.4
assign (resid 19 and name HN )(resid 37 and name O ) 1.9 0.4 0.4

!!H-bond between 35 HN and 47 CO
assign (resid 35 and name N )(resid 47 and name O ) 2.9 0.4 0.4
assign (resid 35 and name HN )(resid 47 and name O ) 1.9 0.4 0.4

!!H-bond between 36 HN and 47 CO
assign (resid 36 and name N )(resid 47 and name O ) 2.9 0.4 0.4
assign (resid 36 and name HN )(resid 47 and name O ) 1.9 0.4 0.4

!!H-bond between 47 HN and 36 CO
assign (resid 47 and name N )(resid 36 and name O ) 2.9 0.4 0.4
assign (resid 47 and name HN )(resid 36 and name O ) 1.9 0.4 0.4

!!H-bond between 39 HN and 17 CO
assign (resid 39 and name N )(resid 17 and name O ) 2.9 0.4 0.4
assign (resid 39 and name HN )(resid 17 and name O ) 1.9 0.4 0.4

!!H-bond between 38 HN and 45 CO
assign (resid 38 and name N )(resid 45 and name O ) 2.9 0.4 0.4
assign (resid 38 and name HN )(resid 45 and name O ) 1.9 0.4 0.4

!!H-bond between 76 HN and 54 CO
assign (resid 76 and name N )(resid 54 and name O ) 2.9 0.4 0.4
assign (resid 76 and name HN )(resid 54 and name O ) 1.9 0.4 0.4

!!H-bond between 45 HN and 38 CO
assign (resid 45 and name N )(resid 38 and name O ) 2.9 0.4 0.4
assign (resid 45 and name HN )(resid 38 and name O ) 1.9 0.4 0.4

!!H-bond between 4 HN and 73 CO
assign (resid 4 and name N )(resid 73 and name O ) 2.9 0.4 0.4
assign (resid 4 and name HN )(resid 73 and name O ) 1.9 0.4 0.4

!!H-bond between 6 HN and 70 CO
assign (resid 6 and name N )(resid 70 and name O ) 2.9 0.4 0.4
assign (resid 6 and name HN )(resid 70 and name O ) 1.9 0.4 0.4

!!H-bond between 59 HN and 72 CO
assign (resid 59 and name N )(resid 72 and name O ) 2.9 0.4 0.4
assign (resid 59 and name HN )(resid 72 and name O ) 1.9 0.4 0.4

!!H-bond between 18 HN and 64 CO
assign (resid 18 and name N )(resid 64 and name O ) 2.9 0.4 0.4
assign (resid 18 and name HN )(resid 64 and name O ) 1.9 0.4 0.4

!!H-bond between 75 HN and 2 CO
assign (resid 75 and name N )(resid 2 and name O ) 2.9 0.4 0.4
assign (resid 75 and name HN )(resid 2 and name O ) 1.9 0.4 0.4



restraints dihedral reset


!! Phi constraints AND Chi constraints

!! Phi restraints: minimum deviation = 30 degrees
!! 3J values from HMQC-J experiment, after fitting and/or spectral simulations
!! for 3J values > 9 Hz, phi = -120 +- 30
!! for 3J values > 8 Hz, phi = -120 +- 40
!! for 3J values < 6 Hz, phi = -55 +- 30

!!    ILE2
 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -120.0 30.0 2
!!    ILE4
 assign (resid   3 and name c )   (resid   4 and name n) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -120.0 30.0 2
!!    LYS5
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -120.0 30.0 2
!!    ALA6
 assign (resid   5 and name c )   (resid   6 and name n) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -55.0 30.0 2
!!    GLU11
 assign (resid   10 and name c )   (resid   11 and name n ) 
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -55.0 30.0 2
!!    ILE13 
 assign (resid   12 and name c )   (resid   13 and name n) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -120.0 30.0 2
!!    THR17
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -120.0 30.0 2
!!    VAL18 
 assign (resid   17 and name c )   (resid   18 and name n) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -55.0 30.0 2
!!    ALA19
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -120.0 40.0 2
!!    THR20
 assign (resid   19 and name c )   (resid   20 and name n ) 
        (resid   20 and name ca)   (resid   20 and name c )  1.0 -120.0 40.0 2
!!    TRP21 
 assign (resid   20 and name c )   (resid   21 and name n) 
        (resid   21 and name ca)   (resid   21 and name c )  1.0 -120.0 30.0 2
!!    LYS23
 assign (resid   22 and name c )   (resid   23 and name n ) 
        (resid   23 and name ca)   (resid   23 and name c )  1.0 -120.0 40.0 2
!!    LYS24
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -120.0 40.0 2
!!    VAL29 
 assign (resid   28 and name c )   (resid   29 and name n) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -120.0 30.0 2
!!    LYS30
 assign (resid   29 and name c )   (resid   30 and name n ) 
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -120.0 40.0 2
!!    ARG31
 assign (resid   30 and name c )   (resid   31 and name n ) 
        (resid   31 and name ca)   (resid   31 and name c )  1.0 -55.0 30.0 2
!!    LEU34 
 assign (resid   33 and name c )   (resid   34 and name n) 
        (resid   34 and name ca)   (resid   34 and name c )  1.0 -55.0 30.0 2
!!    ILE35
 assign (resid   34 and name c )   (resid   35 and name n ) 
        (resid   35 and name ca)   (resid   35 and name c )  1.0 -120.0 30.0 2
!!    ASP37 
 assign (resid   36 and name c )   (resid   37 and name n) 
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -120.0 30.0 2
!!    ILE38
 assign (resid   37 and name c )   (resid   38 and name n ) 
        (resid   38 and name ca)   (resid   38 and name c )  1.0 -120.0 30.0 2
!!    GLU39 
 assign (resid   38 and name c )   (resid   39 and name n) 
        (resid   39 and name ca)   (resid   39 and name c )  1.0 -120.0 40.0 2
!!    THR40
 assign (resid   39 and name c )   (resid   40 and name n ) 
        (resid   40 and name ca)   (resid   40 and name c )  1.0 -120.0 40.0 2
!!    ASP41 
 assign (resid   40 and name c )   (resid   41 and name n) 
        (resid   41 and name ca)   (resid   41 and name c )  1.0 -55.0 30.0 2
!!    LYS42
 assign (resid   41 and name c )   (resid   42 and name n ) 
        (resid   42 and name ca)   (resid   42 and name c )  1.0 -120.0 40.0 2
!!    VAL43 
 assign (resid   42 and name c )   (resid   43 and name n) 
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -120.0 40.0 2
!!    VAL44
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -120.0 30.0 2
!!    MET45 
 assign (resid   44 and name c )   (resid   45 and name n) 
        (resid   45 and name ca)   (resid   45 and name c )  1.0 -120.0 40.0 2
!!    VAL47
 assign (resid   46 and name c )   (resid   47 and name n ) 
        (resid   47 and name ca)   (resid   47 and name c )  1.0 -120.0 30.0 2
!!    LEU48 
 assign (resid   47 and name c )   (resid   48 and name n) 
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -120.0 30.0 2
!!    ALA49
 assign (resid   48 and name c )   (resid   49 and name n ) 
        (resid   49 and name ca)   (resid   49 and name c )  1.0 -55.0 30.0 2
!!    VAL54
 assign (resid   53 and name c )   (resid   54 and name n ) 
        (resid   54 and name ca)   (resid   54 and name c )  1.0 -120.0 30.0 2
!!    ILE55
 assign (resid   54 and name c )   (resid   55 and name n ) 
        (resid   55 and name ca)   (resid   55 and name c )  1.0 -55.0 30.0 2
!!    ILE58 
 assign (resid   57 and name c )   (resid   58 and name n) 
        (resid   58 and name ca)   (resid   58 and name c )  1.0 -120.0 30.0 2
!!    VAL59
 assign (resid   58 and name c )   (resid   59 and name n ) 
        (resid   59 and name ca)   (resid   59 and name c )  1.0 -120.0 30.0 2
!!    LYS60 
 assign (resid   59 and name c )   (resid   60 and name n) 
        (resid   60 and name ca)   (resid   60 and name c )  1.0 -120.0 30.0 2
!!    ASN61
 assign (resid   60 and name c )   (resid   61 and name n ) 
        (resid   61 and name ca)   (resid   61 and name c )  1.0 -120.0 40.0 2
!!    GLU62 
 assign (resid   61 and name c )   (resid   62 and name n) 
        (resid   62 and name ca)   (resid   62 and name c )  1.0 -55.0 30.0 2
!!    VAL66
 assign (resid   65 and name c )   (resid   66 and name n )
        (resid   66 and name ca)   (resid   66 and name c )  1.0 -120.0 30.0 2
!!    LEU67 
 assign (resid   66 and name c )   (resid   67 and name n) 
        (resid   67 and name ca)   (resid   67 and name c )  1.0 -120.0 30.0 2
!!    SER68
 assign (resid   67 and name c )   (resid   68 and name n ) 
        (resid   68 and name ca)   (resid   68 and name c )  1.0 -55.0 30.0 2
!!    GLU70 
 assign (resid   69 and name c )   (resid   70 and name n) 
        (resid   70 and name ca)   (resid   70 and name c )  1.0 -55.0 30.0 2
!!    LEU71
 assign (resid   70 and name c )   (resid   71 and name n ) 
        (resid   71 and name ca)   (resid   71 and name c )  1.0 -55.0 30.0 2
!!    LEU72
 assign (resid   71 and name c )   (resid   72 and name n ) 
        (resid   72 and name ca)   (resid   72 and name c )  1.0 -120.0 40.0 2
!!    LYS74 
 assign (resid   73 and name c )   (resid   74 and name n) 
        (resid   74 and name ca)   (resid   74 and name c )  1.0 -120.0 30.0 2
!!    LEU75
 assign (resid   74 and name c )   (resid   75 and name n ) 
        (resid   75 and name ca)   (resid   75 and name c )  1.0 -120.0 30.0 2
!!    THR76 
 assign (resid   75 and name c )   (resid   76 and name n) 
        (resid   76 and name ca)   (resid   76 and name c )  1.0 -120.0 40.0 2
!!    GLU77
 assign (resid   76 and name c )   (resid   77 and name n ) 
        (resid   77 and name ca)   (resid   77 and name c )  1.0 -55.0 30.0 2


!! Chi constraints: minimum deviation = 30 degrees
!! beta-methylene protons


!!    D3, g2t3
 assign (resid   3 and name n )   (resid   3 and name ca ) 
        (resid   3 and name cb)   (resid   3 and name cg )  1.0 180.0 30.0 2
!!    W21, t2g3 
 assign (resid   21 and name n )   (resid   21 and name ca) 
        (resid   21 and name cb)   (resid   21 and name cg )  1.0 -60.0 30.0 2
!!    H22, t2g3
 assign (resid   22 and name n )   (resid   22 and name ca ) 
        (resid   22 and name cb)   (resid   22 and name cg )  1.0 -60.0 30.0 2
!!    D32, g2t3
 assign (resid   32 and name n )   (resid   32 and name ca ) 
        (resid   32 and name cb)   (resid   32 and name cg )  1.0 180.0 30.0 2
!!    D37, t2g3
 assign (resid   37 and name n )   (resid   37 and name ca) 
        (resid   37 and name cb)   (resid   37 and name cg )  1.0 -60.0 30.0 2
!!    K42, t2g3
 assign (resid   42 and name n )   (resid   42 and name ca ) 
        (resid   42 and name cb)   (resid   42 and name cg )  1.0 -60.0 30.0 2
!!    M45, t2g3
 assign (resid   45 and name n )   (resid   45 and name ca ) 
        (resid   45 and name cb)   (resid   45 and name cg )  1.0 -60.0 30.0 2
!!    D52, g2t3 
 assign (resid   52 and name n )   (resid   52 and name ca) 
        (resid   52 and name cb)   (resid   52 and name cg )  1.0 180.0 30.0 2
!!    N61, t2g3
 assign (resid   61 and name n )   (resid   61 and name ca ) 
        (resid   61 and name cb)   (resid   61 and name cg )  1.0 -60.0 30.0 2
!!    D64, g2t3
 assign (resid   64 and name n )   (resid   64 and name ca ) 
        (resid   64 and name cb)   (resid   64 and name cg )  1.0 180.0 30.0 2
!!    E70, g2t3
 assign (resid   70 and name n )   (resid   70 and name ca) 
        (resid   70 and name cb)   (resid   70 and name cg )  1.0 180.0 30.0 2
!!    L72, t2g3
 assign (resid   72 and name n )   (resid   72 and name ca ) 
        (resid   72 and name cb)   (resid   72 and name cg )  1.0 -60.0 30.0 2
!!    E77, t2g3
 assign (resid   77 and name n )   (resid   77 and name ca ) 
        (resid   77 and name cb)   (resid   77 and name cg )  1.0 -60.0 30.0 2
  

!!    Valines 

!!   V18, g+ 
 assign (resid   18 and name n )   (resid   18 and name ca) 
        (resid   18 and name cb)   (resid   18 and name cg1)  1.0 180.0 30.0 2
!!   V36, t
 assign (resid   36 and name n )   (resid   36 and name ca ) 
        (resid   36 and name cb)   (resid   36 and name cg1)  1.0 60.0 30.0 2
!!   V43, g+ 
 assign (resid   43 and name n )   (resid   43 and name ca) 
        (resid   43 and name cb)   (resid   43 and name cg1)  1.0 180.0 30.0 2
!!   V54, g+ 
 assign (resid   54 and name n )   (resid   54 and name ca) 
        (resid   54 and name cb)   (resid   54 and name cg1)  1.0 180.0 30.0 2
!!   V59, g+ 
 assign (resid   59 and name n )   (resid   59 and name ca) 
        (resid   59 and name cb)   (resid   59 and name cg1)  1.0 180.0 30.0 2


end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          3H        ALA   1 -10.144  11.346   1.921
    2   2H    ALA   1          2H        ALA   1  -9.584  11.928   0.427
    3   3H    ALA   1          1H        ALA   1 -11.232  11.577   0.641
    4    HA   ALA   1           HA       ALA   1 -10.794   9.248   0.832
    5   1HB   ALA   1          1HB       ALA   1 -10.802  10.533  -1.462
    6   2HB   ALA   1          3HB       ALA   1  -9.089  10.116  -1.485
    7   3HB   ALA   1          2HB       ALA   1 -10.306   8.842  -1.417
    8    H    ILE   2           H        ILE   2  -8.502   8.086  -0.530
    9    HA   ILE   2           HA       ILE   2  -6.304   8.658   1.407
   10    HB   ILE   2           HB       ILE   2  -7.278   5.895   0.618
   11   1HG1  ILE   2          2HG1      ILE   2  -7.606   5.961   3.269
   12   2HG1  ILE   2          1HG1      ILE   2  -7.800   7.686   2.957
   13   1HG2  ILE   2          1HG2      ILE   2  -4.747   6.579   1.278
   14   2HG2  ILE   2          3HG2      ILE   2  -5.423   6.363   2.893
   15   3HG2  ILE   2          2HG2      ILE   2  -5.469   5.035   1.733
   16   1HD1  ILE   2          2HD1      ILE   2  -9.344   6.642   0.970
   17   2HD1  ILE   2          1HD1      ILE   2  -9.568   5.428   2.229
   18   3HD1  ILE   2          3HD1      ILE   2  -9.969   7.116   2.549
   19    H    ASP   3           H        ASP   3  -4.582   9.246   0.183
   20    HA   ASP   3           HA       ASP   3  -4.370   8.294  -2.604
   21   1HB   ASP   3          2HB       ASP   3  -3.896  10.643  -2.216
   22   2HB   ASP   3          1HB       ASP   3  -2.704  10.237  -0.976
   23    H    ILE   4           H        ILE   4  -2.976   6.699  -3.245
   24    HA   ILE   4           HA       ILE   4  -1.290   5.452  -1.133
   25    HB   ILE   4           HB       ILE   4  -2.107   4.417  -3.866
   26   1HG1  ILE   4          2HG1      ILE   4  -3.043   3.503  -1.134
   27   2HG1  ILE   4          1HG1      ILE   4  -3.924   4.694  -2.093
   28   1HG2  ILE   4          3HG2      ILE   4   0.089   3.652  -2.508
   29   2HG2  ILE   4          2HG2      ILE   4  -1.107   2.646  -1.691
   30   3HG2  ILE   4          1HG2      ILE   4  -0.890   2.516  -3.436
   31   1HD1  ILE   4          3HD1      ILE   4  -3.274   2.490  -3.796
   32   2HD1  ILE   4          2HD1      ILE   4  -4.002   1.849  -2.323
   33   3HD1  ILE   4          1HD1      ILE   4  -4.870   3.042  -3.289
   34    H    LYS   5           H        LYS   5   0.870   5.826  -1.172
   35    HA   LYS   5           HA       LYS   5   2.094   6.648  -3.777
   36   1HB   LYS   5          2HB       LYS   5   3.161   7.514  -1.093
   37   2HB   LYS   5          1HB       LYS   5   3.443   8.238  -2.677
   38   1HG   LYS   5          2HG       LYS   5   0.836   8.607  -2.651
   39   2HG   LYS   5          1HG       LYS   5   1.029   8.447  -0.905
   40   1HD   LYS   5          2HD       LYS   5   1.903  10.516  -0.742
   41   2HD   LYS   5          1HD       LYS   5   3.082  10.172  -2.009
   42   1HE   LYS   5          2HE       LYS   5   0.770  10.390  -3.465
   43   2HE   LYS   5          1HE       LYS   5   0.491  11.569  -2.184
   44   1HZ   LYS   5          2HZ       LYS   5   3.004  11.453  -3.750
   45   2HZ   LYS   5          1HZ       LYS   5   1.682  12.422  -4.198
   46   3HZ   LYS   5          3HZ       LYS   5   2.473  12.698  -2.723
   47    H    ALA   6           H        ALA   6   4.625   6.328  -3.569
   48    HA   ALA   6           HA       ALA   6   5.023   3.495  -2.963
   49   1HB   ALA   6          3HB       ALA   6   6.768   5.683  -4.094
   50   2HB   ALA   6          2HB       ALA   6   7.436   4.105  -3.674
   51   3HB   ALA   6          1HB       ALA   6   6.171   4.230  -4.897
   52    HA   PRO   7           HA       PRO   7   6.828   3.958   1.008
   53   1HB   PRO   7          2HB       PRO   7   8.636   1.888   0.964
   54   2HB   PRO   7          1HB       PRO   7   6.886   1.656   1.122
   55   1HG   PRO   7          2HG       PRO   7   8.635   1.182  -1.247
   56   2HG   PRO   7          1HG       PRO   7   7.095   0.419  -0.819
   57   1HD   PRO   7          2HD       PRO   7   7.453   2.467  -2.741
   58   2HD   PRO   7          1HD       PRO   7   5.899   1.927  -2.064
   59    H    THR   8           H        THR   8   9.094   4.104   2.113
   60    HA   THR   8           HA       THR   8  10.780   5.867   0.437
   61    HB   THR   8           HB       THR   8  11.203   5.216   3.357
   62    HG1  THR   8           HG1      THR   8   9.349   6.126   3.666
   63   1HG2  THR   8          3HG2      THR   8  12.961   6.451   2.063
   64   2HG2  THR   8          2HG2      THR   8  11.770   7.709   1.733
   65   3HG2  THR   8          1HG2      THR   8  12.278   7.389   3.391
   66    H    PHE   9           H        PHE   9  12.794   5.275  -0.285
   67    HA   PHE   9           HA       PHE   9  13.682   2.508   0.359
   68   1HB   PHE   9          2HB       PHE   9  14.805   4.333  -1.779
   69   2HB   PHE   9          1HB       PHE   9  14.942   2.574  -1.669
   70    HD1  PHE   9           HD1      PHE   9  12.628   1.278  -1.570
   71    HD2  PHE   9           HD2      PHE   9  13.153   5.237  -3.157
   72    HE1  PHE   9           HE1      PHE   9  10.534   1.031  -2.879
   73    HE2  PHE   9           HE2      PHE   9  11.059   4.991  -4.465
   74    HZ   PHE   9           HZ       PHE   9   9.750   2.888  -4.327
   75    HA   PRO  10           HA       PRO  10  17.094   3.996   2.686
   76   1HB   PRO  10          2HB       PRO  10  18.832   1.902   2.295
   77   2HB   PRO  10          1HB       PRO  10  17.416   1.814   3.357
   78   1HG   PRO  10          2HG       PRO  10  17.812   0.617   0.654
   79   2HG   PRO  10          1HG       PRO  10  16.760   0.081   1.975
   80   1HD   PRO  10          2HD       PRO  10  15.934   1.501  -0.332
   81   2HD   PRO  10          1HD       PRO  10  14.971   1.249   1.142
   82    H    GLU  11           H        GLU  11  19.829   3.499   2.157
   83    HA   GLU  11           HA       GLU  11  20.318   5.450   0.040
   84   1HB   GLU  11          2HB       GLU  11  21.991   3.981   2.045
   85   2HB   GLU  11          1HB       GLU  11  22.789   4.703   0.648
   86   1HG   GLU  11          2HG       GLU  11  22.351   6.847   1.331
   87   2HG   GLU  11          1HG       GLU  11  20.806   6.408   2.062
   88    H    SER  12           H        SER  12  21.478   2.096   0.561
   89    HA   SER  12           HA       SER  12  22.691   1.596  -1.857
   90   1HB   SER  12          2HB       SER  12  22.574  -0.128  -0.156
   91   2HB   SER  12          1HB       SER  12  20.820  -0.229  -0.321
   92    HG   SER  12           HG       SER  12  21.077  -1.445  -2.016
   93    H    ILE  13           H        ILE  13  19.179   1.455  -1.236
   94    HA   ILE  13           HA       ILE  13  18.750   1.257  -4.181
   95    HB   ILE  13           HB       ILE  13  16.826   0.809  -1.877
   96   1HG1  ILE  13          2HG1      ILE  13  18.648  -0.904  -2.172
   97   2HG1  ILE  13          1HG1      ILE  13  17.026  -1.546  -2.432
   98   1HG2  ILE  13          1HG2      ILE  13  16.496   1.061  -4.804
   99   2HG2  ILE  13          3HG2      ILE  13  15.726  -0.357  -4.092
  100   3HG2  ILE  13          2HG2      ILE  13  15.307   1.257  -3.516
  101   1HD1  ILE  13          2HD1      ILE  13  17.333  -1.166  -4.893
  102   2HD1  ILE  13          1HD1      ILE  13  19.004  -0.703  -4.568
  103   3HD1  ILE  13          3HD1      ILE  13  18.460  -2.345  -4.221
  104    H    ALA  14           H        ALA  14  17.752   2.928  -5.270
  105    HA   ALA  14           HA       ALA  14  16.874   5.261  -3.612
  106   1HB   ALA  14          3HB       ALA  14  18.707   5.063  -5.889
  107   2HB   ALA  14          2HB       ALA  14  17.438   6.262  -6.139
  108   3HB   ALA  14          1HB       ALA  14  18.495   6.377  -4.732
  109    H    ASP  15           H        ASP  15  15.476   2.832  -4.993
  110    HA   ASP  15           HA       ASP  15  13.081   4.280  -5.719
  111   1HB   ASP  15          2HB       ASP  15  13.151   3.169  -8.116
  112   2HB   ASP  15          1HB       ASP  15  13.929   4.728  -7.841
  113    H    GLY  16           H        GLY  16  11.697   2.412  -7.134
  114   1HA   GLY  16          2HA       GLY  16  12.188  -0.239  -5.915
  115   2HA   GLY  16          1HA       GLY  16  10.676   0.562  -5.483
  116    H    THR  17           H        THR  17   9.876  -1.518  -6.609
  117    HA   THR  17           HA       THR  17   9.197  -0.794  -9.391
  118    HB   THR  17           HB       THR  17  10.130  -3.606  -8.909
  119    HG1  THR  17           HG1      THR  17  11.903  -1.702  -9.920
  120   1HG2  THR  17          1HG2      THR  17   8.916  -2.814 -10.997
  121   2HG2  THR  17          3HG2      THR  17  10.336  -1.827 -11.346
  122   3HG2  THR  17          2HG2      THR  17  10.478  -3.584 -11.279
  123    H    VAL  18           H        VAL  18   7.059  -1.221  -9.703
  124    HA   VAL  18           HA       VAL  18   5.380  -2.250  -7.672
  125    HB   VAL  18           HB       VAL  18   4.877  -2.252 -10.665
  126   1HG1  VAL  18          1HG1      VAL  18   3.245  -2.885  -8.278
  127   2HG1  VAL  18          3HG1      VAL  18   2.481  -1.805  -9.444
  128   3HG1  VAL  18          2HG1      VAL  18   3.038  -3.400  -9.952
  129   1HG2  VAL  18          1HG2      VAL  18   5.537  -0.033  -9.705
  130   2HG2  VAL  18          3HG2      VAL  18   3.878  -0.058 -10.303
  131   3HG2  VAL  18          2HG2      VAL  18   4.192  -0.165  -8.571
  132    H    ALA  19           H        ALA  19   4.273  -4.310  -7.529
  133    HA   ALA  19           HA       ALA  19   5.947  -6.544  -8.541
  134   1HB   ALA  19          1HB       ALA  19   4.721  -6.056  -6.081
  135   2HB   ALA  19          3HB       ALA  19   3.708  -7.292  -6.828
  136   3HB   ALA  19          2HB       ALA  19   5.433  -7.583  -6.602
  137    H    THR  20           H        THR  20   2.430  -6.315  -7.940
  138    HA   THR  20           HA       THR  20   1.821  -6.803 -10.759
  139    HB   THR  20           HB       THR  20   1.446  -8.971  -8.678
  140    HG1  THR  20           HG1      THR  20   3.293  -9.378  -9.651
  141   1HG2  THR  20          1HG2      THR  20  -0.196  -8.269 -10.975
  142   2HG2  THR  20          3HG2      THR  20   0.484  -9.889 -11.133
  143   3HG2  THR  20          2HG2      THR  20  -0.487  -9.473  -9.720
  144    H    TRP  21           H        TRP  21  -0.183  -5.950 -11.181
  145    HA   TRP  21           HA       TRP  21  -1.763  -4.969  -8.901
  146   1HB   TRP  21          2HB       TRP  21  -1.598  -4.435 -11.832
  147   2HB   TRP  21          1HB       TRP  21  -3.140  -4.138 -11.034
  148    HD1  TRP  21           HD1      TRP  21   0.343  -2.776 -11.393
  149    HE1  TRP  21           HE1      TRP  21   0.561  -0.596 -10.023
  150    HE3  TRP  21           HE3      TRP  21  -4.040  -2.915  -8.772
  151    HZ2  TRP  21           HZ2      TRP  21  -0.897   0.875  -8.103
  152    HZ3  TRP  21           HZ3      TRP  21  -4.602  -1.102  -7.171
  153    HH2  TRP  21           HH2      TRP  21  -3.036   0.795  -6.833
  154    H    HIS  22           H        HIS  22  -2.501  -7.109  -8.200
  155    HA   HIS  22           HA       HIS  22  -3.782  -9.091  -9.658
  156   1HB   HIS  22          2HB       HIS  22  -5.215  -8.173  -7.190
  157   2HB   HIS  22          1HB       HIS  22  -4.791  -9.811  -7.696
  158    HD1  HIS  22           HD1      HIS  22  -3.292  -6.708  -6.172
  159    HD2  HIS  22           HD2      HIS  22  -2.250 -10.688  -6.833
  160    HE1  HIS  22           HE1      HIS  22  -1.088  -7.068  -5.011
  161    H    LYS  23           H        LYS  23  -5.649  -6.428  -8.147
  162    HA   LYS  23           HA       LYS  23  -7.734  -6.835 -10.221
  163   1HB   LYS  23          2HB       LYS  23  -7.702  -5.945  -7.456
  164   2HB   LYS  23          1HB       LYS  23  -8.543  -4.784  -8.483
  165   1HG   LYS  23          2HG       LYS  23 -10.167  -6.412  -7.744
  166   2HG   LYS  23          1HG       LYS  23  -9.849  -6.714  -9.452
  167   1HD   LYS  23          2HD       LYS  23  -7.960  -8.165  -7.808
  168   2HD   LYS  23          1HD       LYS  23  -9.614  -8.560  -7.338
  169   1HE   LYS  23          2HE       LYS  23 -10.029  -9.651  -9.284
  170   2HE   LYS  23          1HE       LYS  23  -9.213  -8.421 -10.249
  171   1HZ   LYS  23          2HZ       LYS  23  -7.383  -9.881  -8.623
  172   2HZ   LYS  23          1HZ       LYS  23  -8.259 -10.915  -9.648
  173   3HZ   LYS  23          3HZ       LYS  23  -7.369  -9.628 -10.303
  174    H    LYS  24           H        LYS  24  -8.823  -4.513 -10.742
  175    HA   LYS  24           HA       LYS  24  -6.593  -2.669 -11.505
  176   1HB   LYS  24          2HB       LYS  24  -8.552  -4.048 -13.176
  177   2HB   LYS  24          1HB       LYS  24  -8.593  -2.300 -13.407
  178   1HG   LYS  24          2HG       LYS  24  -6.550  -2.264 -14.396
  179   2HG   LYS  24          1HG       LYS  24  -5.874  -3.418 -13.245
  180   1HD   LYS  24          2HD       LYS  24  -7.860  -4.682 -14.950
  181   2HD   LYS  24          1HD       LYS  24  -6.576  -3.941 -15.907
  182   1HE   LYS  24          2HE       LYS  24  -4.899  -5.090 -14.430
  183   2HE   LYS  24          1HE       LYS  24  -6.237  -5.935 -13.650
  184   1HZ   LYS  24          3HZ       LYS  24  -6.871  -6.617 -16.011
  185   2HZ   LYS  24          2HZ       LYS  24  -5.295  -6.150 -16.440
  186   3HZ   LYS  24          1HZ       LYS  24  -5.537  -7.387 -15.301
  187    HA   PRO  25           HA       PRO  25  -9.034   0.598  -9.894
  188   1HB   PRO  25          2HB       PRO  25  -8.563   2.601 -11.719
  189   2HB   PRO  25          1HB       PRO  25  -7.366   2.056 -10.532
  190   1HG   PRO  25          2HG       PRO  25  -7.485   1.514 -13.466
  191   2HG   PRO  25          1HG       PRO  25  -6.076   1.586 -12.395
  192   1HD   PRO  25          2HD       PRO  25  -7.298  -0.777 -13.332
  193   2HD   PRO  25          1HD       PRO  25  -6.154  -0.669 -11.979
  194    H    GLY  26           H        GLY  26 -11.243   0.761  -9.949
  195   1HA   GLY  26          2HA       GLY  26 -13.183   1.767 -11.166
  196   2HA   GLY  26          1HA       GLY  26 -12.563   0.986 -12.626
  197    H    GLU  27           H        GLU  27 -12.191  -0.943  -9.852
  198    HA   GLU  27           HA       GLU  27 -14.652  -2.481 -10.586
  199   1HB   GLU  27          2HB       GLU  27 -12.119  -3.639  -9.399
  200   2HB   GLU  27          1HB       GLU  27 -13.471  -4.515 -10.116
  201   1HG   GLU  27          2HG       GLU  27 -12.480  -2.592 -12.013
  202   2HG   GLU  27          1HG       GLU  27 -11.138  -3.574 -11.425
  203    H    ALA  28           H        ALA  28 -14.860  -4.204  -8.516
  204    HA   ALA  28           HA       ALA  28 -15.340  -2.376  -6.221
  205   1HB   ALA  28          2HB       ALA  28 -16.656  -4.762  -7.308
  206   2HB   ALA  28          1HB       ALA  28 -16.442  -4.828  -5.559
  207   3HB   ALA  28          3HB       ALA  28 -17.316  -3.482  -6.290
  208    H    VAL  29           H        VAL  29 -14.672  -3.024  -4.075
  209    HA   VAL  29           HA       VAL  29 -12.653  -5.212  -3.970
  210    HB   VAL  29           HB       VAL  29 -11.316  -3.227  -4.271
  211   1HG1  VAL  29          1HG1      VAL  29 -12.986  -2.040  -2.033
  212   2HG1  VAL  29          3HG1      VAL  29 -11.593  -1.262  -2.784
  213   3HG1  VAL  29          2HG1      VAL  29 -13.049  -1.569  -3.731
  214   1HG2  VAL  29          3HG2      VAL  29 -10.628  -4.842  -2.474
  215   2HG2  VAL  29          2HG2      VAL  29 -10.059  -3.198  -2.187
  216   3HG2  VAL  29          1HG2      VAL  29 -11.450  -3.818  -1.297
  217    H    LYS  30           H        LYS  30 -12.182  -5.849  -1.684
  218    HA   LYS  30           HA       LYS  30 -14.356  -5.069   0.205
  219   1HB   LYS  30          2HB       LYS  30 -14.553  -7.394  -1.094
  220   2HB   LYS  30          1HB       LYS  30 -13.437  -7.912   0.171
  221   1HG   LYS  30          2HG       LYS  30 -15.150  -8.053   1.619
  222   2HG   LYS  30          1HG       LYS  30 -15.465  -6.330   1.404
  223   1HD   LYS  30          2HD       LYS  30 -17.427  -6.931   0.464
  224   2HD   LYS  30          1HD       LYS  30 -16.482  -7.487  -0.918
  225   1HE   LYS  30          2HE       LYS  30 -16.544  -9.393   1.323
  226   2HE   LYS  30          1HE       LYS  30 -18.123  -9.090   0.600
  227   1HZ   LYS  30          1HZ       LYS  30 -15.777  -9.609  -1.106
  228   2HZ   LYS  30          3HZ       LYS  30 -16.622 -10.901  -0.403
  229   3HZ   LYS  30          2HZ       LYS  30 -17.425  -9.834  -1.454
  230    H    ARG  31           H        ARG  31 -13.501  -4.480   2.139
  231    HA   ARG  31           HA       ARG  31 -10.834  -4.246   2.769
  232   1HB   ARG  31          2HB       ARG  31 -12.663  -3.352   4.178
  233   2HB   ARG  31          1HB       ARG  31 -13.024  -4.988   4.731
  234   1HG   ARG  31          2HG       ARG  31 -10.801  -5.187   5.720
  235   2HG   ARG  31          1HG       ARG  31 -10.350  -3.603   5.088
  236   1HD   ARG  31          2HD       ARG  31 -10.967  -3.301   7.399
  237   2HD   ARG  31          1HD       ARG  31 -12.267  -2.627   6.415
  238    HE   ARG  31           HE       ARG  31 -13.495  -4.804   6.843
  239   1HH1  ARG  31          2HH1      ARG  31 -11.725  -6.583   8.130
  240   2HH1  ARG  31          1HH1      ARG  31 -11.882  -6.251   9.823
  241   1HH2  ARG  31          1HH2      ARG  31 -13.352  -3.146   9.347
  242   2HH2  ARG  31          2HH2      ARG  31 -12.803  -4.305  10.512
  243    H    ASP  32           H        ASP  32  -9.256  -5.559   3.783
  244    HA   ASP  32           HA       ASP  32  -8.248  -7.562   4.517
  245   1HB   ASP  32          2HB       ASP  32 -10.662  -7.844   5.568
  246   2HB   ASP  32          1HB       ASP  32 -10.847  -9.040   4.284
  247    H    GLU  33           H        GLU  33  -8.562  -6.769   1.719
  248    HA   GLU  33           HA       GLU  33  -8.209  -9.465   0.505
  249   1HB   GLU  33          2HB       GLU  33 -10.509  -8.089   0.072
  250   2HB   GLU  33          1HB       GLU  33  -9.503  -7.423  -1.214
  251   1HG   GLU  33          2HG       GLU  33  -8.893  -9.863  -1.764
  252   2HG   GLU  33          1HG       GLU  33 -10.259 -10.307  -0.741
  253    H    LEU  34           H        LEU  34  -6.256  -9.518  -0.491
  254    HA   LEU  34           HA       LEU  34  -4.387  -7.502  -0.629
  255   1HB   LEU  34          2HB       LEU  34  -3.957  -9.871  -1.259
  256   2HB   LEU  34          1HB       LEU  34  -4.812  -9.599  -2.778
  257    HG   LEU  34           HG       LEU  34  -3.189  -7.843  -3.383
  258   1HD1  LEU  34          2HD1      LEU  34  -2.445  -8.214  -0.572
  259   2HD1  LEU  34          1HD1      LEU  34  -1.053  -8.223  -1.655
  260   3HD1  LEU  34          3HD1      LEU  34  -2.149  -6.841  -1.638
  261   1HD2  LEU  34          3HD2      LEU  34  -2.092 -10.551  -2.592
  262   2HD2  LEU  34          2HD2      LEU  34  -2.627 -10.023  -4.187
  263   3HD2  LEU  34          1HD2      LEU  34  -1.139  -9.376  -3.498
  264    H    ILE  35           H        ILE  35  -3.684  -6.070  -2.387
  265    HA   ILE  35           HA       ILE  35  -5.787  -5.453  -4.402
  266    HB   ILE  35           HB       ILE  35  -4.501  -3.461  -2.512
  267   1HG1  ILE  35          2HG1      ILE  35  -6.439  -4.736  -1.616
  268   2HG1  ILE  35          1HG1      ILE  35  -6.826  -3.028  -1.837
  269   1HG2  ILE  35          2HG2      ILE  35  -6.249  -3.057  -4.956
  270   2HG2  ILE  35          1HG2      ILE  35  -5.918  -1.800  -3.765
  271   3HG2  ILE  35          3HG2      ILE  35  -4.600  -2.475  -4.724
  272   1HD1  ILE  35          2HD1      ILE  35  -7.824  -3.593  -4.062
  273   2HD1  ILE  35          1HD1      ILE  35  -7.548  -5.299  -3.711
  274   3HD1  ILE  35          3HD1      ILE  35  -8.661  -4.363  -2.714
  275    H    VAL  36           H        VAL  36  -2.447  -4.994  -3.293
  276    HA   VAL  36           HA       VAL  36  -1.449  -5.283  -6.003
  277    HB   VAL  36           HB       VAL  36  -2.196  -2.939  -6.123
  278   1HG1  VAL  36          1HG1      VAL  36  -0.342  -2.553  -3.752
  279   2HG1  VAL  36          3HG1      VAL  36  -1.158  -1.259  -4.629
  280   3HG1  VAL  36          2HG1      VAL  36  -2.101  -2.435  -3.714
  281   1HG2  VAL  36          2HG2      VAL  36   0.454  -3.904  -6.558
  282   2HG2  VAL  36          1HG2      VAL  36  -0.374  -2.595  -7.401
  283   3HG2  VAL  36          3HG2      VAL  36   0.582  -2.250  -5.960
  284    H    ASP  37           H        ASP  37   0.700  -5.907  -5.936
  285    HA   ASP  37           HA       ASP  37   1.925  -6.046  -3.230
  286   1HB   ASP  37          2HB       ASP  37   2.198  -7.605  -5.766
  287   2HB   ASP  37          1HB       ASP  37   3.603  -7.512  -4.703
  288    H    ILE  38           H        ILE  38   4.237  -5.501  -3.023
  289    HA   ILE  38           HA       ILE  38   5.123  -3.496  -5.061
  290    HB   ILE  38           HB       ILE  38   5.598  -3.346  -2.070
  291   1HG1  ILE  38          2HG1      ILE  38   3.782  -1.554  -3.685
  292   2HG1  ILE  38          1HG1      ILE  38   3.177  -3.035  -2.943
  293   1HG2  ILE  38          3HG2      ILE  38   6.102  -1.415  -4.354
  294   2HG2  ILE  38          2HG2      ILE  38   6.297  -1.018  -2.647
  295   3HG2  ILE  38          1HG2      ILE  38   7.327  -2.240  -3.392
  296   1HD1  ILE  38          2HD1      ILE  38   4.802  -1.382  -1.132
  297   2HD1  ILE  38          1HD1      ILE  38   3.321  -0.596  -1.677
  298   3HD1  ILE  38          3HD1      ILE  38   3.241  -2.154  -0.853
  299    H    GLU  39           H        GLU  39   7.441  -3.349  -5.338
  300    HA   GLU  39           HA       GLU  39   8.855  -5.829  -4.450
  301   1HB   GLU  39          2HB       GLU  39   8.480  -5.112  -6.988
  302   2HB   GLU  39          1HB       GLU  39   9.898  -4.112  -6.668
  303   1HG   GLU  39          2HG       GLU  39  11.198  -6.038  -6.014
  304   2HG   GLU  39          1HG       GLU  39   9.774  -7.079  -6.068
  305    H    THR  40           H        THR  40  10.434  -5.526  -2.959
  306    HA   THR  40           HA       THR  40  11.531  -2.767  -2.632
  307    HB   THR  40           HB       THR  40  11.851  -3.232  -0.353
  308    HG1  THR  40           HG1      THR  40  12.894  -5.084  -0.216
  309   1HG2  THR  40          1HG2      THR  40   9.369  -3.561  -1.392
  310   2HG2  THR  40          3HG2      THR  40   9.574  -5.114  -0.582
  311   3HG2  THR  40          2HG2      THR  40   9.709  -3.616   0.338
  312    H    ASP  41           H        ASP  41  13.832  -3.489  -1.166
  313    HA   ASP  41           HA       ASP  41  15.809  -3.789  -3.055
  314   1HB   ASP  41          2HB       ASP  41  15.913  -3.530  -0.419
  315   2HB   ASP  41          1HB       ASP  41  16.179  -5.273  -0.481
  316    H    LYS  42           H        LYS  42  14.797  -6.574  -1.040
  317    HA   LYS  42           HA       LYS  42  14.889  -8.280  -3.470
  318   1HB   LYS  42          2HB       LYS  42  16.619  -8.555  -1.023
  319   2HB   LYS  42          1HB       LYS  42  16.144  -9.991  -1.932
  320   1HG   LYS  42          2HG       LYS  42  17.512  -9.488  -3.671
  321   2HG   LYS  42          1HG       LYS  42  17.092  -7.776  -3.621
  322   1HD   LYS  42          2HD       LYS  42  19.326  -7.713  -2.961
  323   2HD   LYS  42          1HD       LYS  42  18.507  -7.791  -1.401
  324   1HE   LYS  42          2HE       LYS  42  19.052 -10.036  -1.073
  325   2HE   LYS  42          1HE       LYS  42  19.261 -10.340  -2.798
  326   1HZ   LYS  42          1HZ       LYS  42  21.049  -8.622  -1.166
  327   2HZ   LYS  42          3HZ       LYS  42  21.373 -10.239  -1.561
  328   3HZ   LYS  42          2HZ       LYS  42  21.274  -9.070  -2.790
  329    H    VAL  43           H        VAL  43  12.806  -7.244  -1.548
  330    HA   VAL  43           HA       VAL  43  11.646  -9.910  -0.885
  331    HB   VAL  43           HB       VAL  43  11.534  -7.482   0.930
  332   1HG1  VAL  43          1HG1      VAL  43   9.793  -9.633   0.715
  333   2HG1  VAL  43          3HG1      VAL  43  10.882 -10.123   2.013
  334   3HG1  VAL  43          2HG1      VAL  43   9.987  -8.609   2.137
  335   1HG2  VAL  43          1HG2      VAL  43  13.485  -9.640   0.639
  336   2HG2  VAL  43          3HG2      VAL  43  13.587  -8.162   1.597
  337   3HG2  VAL  43          2HG2      VAL  43  12.788  -9.589   2.258
  338    H    VAL  44           H        VAL  44   9.494 -10.072  -1.438
  339    HA   VAL  44           HA       VAL  44   8.279  -7.689  -2.724
  340    HB   VAL  44           HB       VAL  44   7.543 -10.629  -2.737
  341   1HG1  VAL  44          2HG1      VAL  44   5.932  -8.270  -3.290
  342   2HG1  VAL  44          1HG1      VAL  44   6.094  -9.285  -4.723
  343   3HG1  VAL  44          3HG1      VAL  44   5.444  -9.964  -3.231
  344   1HG2  VAL  44          3HG2      VAL  44   9.497  -9.915  -4.116
  345   2HG2  VAL  44          2HG2      VAL  44   8.149 -10.477  -5.105
  346   3HG2  VAL  44          1HG2      VAL  44   8.459  -8.749  -4.938
  347    H    MET  45           H        MET  45   6.913  -6.472  -1.520
  348    HA   MET  45           HA       MET  45   5.706  -7.649   0.918
  349   1HB   MET  45          2HB       MET  45   5.857  -4.811  -0.134
  350   2HB   MET  45          1HB       MET  45   4.996  -5.261   1.339
  351   1HG   MET  45          2HG       MET  45   7.407  -6.480   1.751
  352   2HG   MET  45          1HG       MET  45   7.901  -5.049   0.847
  353   1HE   MET  45          1HE       MET  45   9.280  -4.778   2.768
  354   2HE   MET  45          3HE       MET  45   8.834  -3.072   2.620
  355   3HE   MET  45          2HE       MET  45   8.859  -3.845   4.203
  356    H    GLU  46           H        GLU  46   3.342  -6.611   1.280
  357    HA   GLU  46           HA       GLU  46   1.803  -6.937  -1.259
  358   1HB   GLU  46          2HB       GLU  46   0.049  -8.042   0.372
  359   2HB   GLU  46          1HB       GLU  46   1.369  -9.011  -0.285
  360   1HG   GLU  46          2HG       GLU  46   2.462  -9.138   1.729
  361   2HG   GLU  46          1HG       GLU  46   1.931  -7.533   2.236
  362    H    VAL  47           H        VAL  47  -0.139  -5.703  -1.346
  363    HA   VAL  47           HA       VAL  47  -0.441  -3.715   0.871
  364    HB   VAL  47           HB       VAL  47  -1.019  -3.230  -2.064
  365   1HG1  VAL  47          2HG1      VAL  47  -1.657  -1.838   0.353
  366   2HG1  VAL  47          1HG1      VAL  47  -0.471  -0.881  -0.535
  367   3HG1  VAL  47          3HG1      VAL  47  -1.986  -1.345  -1.308
  368   1HG2  VAL  47          2HG2      VAL  47   1.487  -3.566  -0.997
  369   2HG2  VAL  47          1HG2      VAL  47   1.128  -2.541  -2.387
  370   3HG2  VAL  47          3HG2      VAL  47   1.241  -1.834  -0.775
  371    H    LEU  48           H        LEU  48  -2.263  -4.366   1.940
  372    HA   LEU  48           HA       LEU  48  -4.549  -5.420   0.358
  373   1HB   LEU  48          2HB       LEU  48  -3.471  -5.982   2.951
  374   2HB   LEU  48          1HB       LEU  48  -5.116  -5.377   3.155
  375    HG   LEU  48           HG       LEU  48  -5.445  -7.056   1.028
  376   1HD1  LEU  48          3HD1      LEU  48  -3.037  -7.771   1.299
  377   2HD1  LEU  48          2HD1      LEU  48  -3.473  -8.426   2.877
  378   3HD1  LEU  48          1HD1      LEU  48  -4.201  -9.090   1.415
  379   1HD2  LEU  48          3HD2      LEU  48  -6.648  -6.856   3.308
  380   2HD2  LEU  48          2HD2      LEU  48  -6.616  -8.448   2.550
  381   3HD2  LEU  48          1HD2      LEU  48  -5.507  -8.078   3.870
  382    H    ALA  49           H        ALA  49  -6.674  -4.493   0.638
  383    HA   ALA  49           HA       ALA  49  -6.625  -1.593   0.915
  384   1HB   ALA  49          1HB       ALA  49  -8.739  -3.643   0.296
  385   2HB   ALA  49          3HB       ALA  49  -9.203  -1.984   0.674
  386   3HB   ALA  49          2HB       ALA  49  -8.157  -2.315  -0.707
  387    H    GLU  50           H        GLU  50  -7.521  -0.371   2.602
  388    HA   GLU  50           HA       GLU  50  -7.936  -1.866   5.133
  389   1HB   GLU  50          2HB       GLU  50  -6.764   0.662   4.434
  390   2HB   GLU  50          1HB       GLU  50  -8.105   0.944   5.545
  391   1HG   GLU  50          2HG       GLU  50  -6.095  -1.231   6.094
  392   2HG   GLU  50          1HG       GLU  50  -5.759   0.438   6.553
  393    H    ALA  51           H        ALA  51  -9.909  -1.321   2.752
  394    HA   ALA  51           HA       ALA  51 -12.321  -1.453   4.132
  395   1HB   ALA  51          1HB       ALA  51 -11.206   1.274   4.082
  396   2HB   ALA  51          3HB       ALA  51 -12.868   1.167   3.503
  397   3HB   ALA  51          2HB       ALA  51 -12.458   0.590   5.118
  398    H    ASP  52           H        ASP  52 -14.102  -1.480   2.681
  399    HA   ASP  52           HA       ASP  52 -13.406  -1.835  -0.099
  400   1HB   ASP  52          2HB       ASP  52 -15.213  -3.155   0.430
  401   2HB   ASP  52          1HB       ASP  52 -15.900  -1.975   1.540
  402    H    GLY  53           H        GLY  53 -14.738  -0.629  -1.824
  403   1HA   GLY  53          2HA       GLY  53 -15.914   1.835  -1.689
  404   2HA   GLY  53          1HA       GLY  53 -14.206   2.239  -1.480
  405    H    VAL  54           H        VAL  54 -13.985   3.289  -3.495
  406    HA   VAL  54           HA       VAL  54 -14.003   1.439  -5.834
  407    HB   VAL  54           HB       VAL  54 -15.176   4.226  -5.688
  408   1HG1  VAL  54          3HG1      VAL  54 -13.978   2.736  -7.953
  409   2HG1  VAL  54          2HG1      VAL  54 -15.563   3.443  -8.263
  410   3HG1  VAL  54          1HG1      VAL  54 -14.224   4.470  -7.751
  411   1HG2  VAL  54          2HG2      VAL  54 -16.603   2.243  -5.091
  412   2HG2  VAL  54          1HG2      VAL  54 -17.183   3.124  -6.505
  413   3HG2  VAL  54          3HG2      VAL  54 -16.312   1.605  -6.709
  414    H    ILE  55           H        ILE  55 -12.026   1.444  -6.783
  415    HA   ILE  55           HA       ILE  55  -9.951   3.264  -5.934
  416    HB   ILE  55           HB       ILE  55  -9.943   1.480  -8.383
  417   1HG1  ILE  55          2HG1      ILE  55 -10.637   0.350  -6.192
  418   2HG1  ILE  55          1HG1      ILE  55  -9.217  -0.322  -6.990
  419   1HG2  ILE  55          3HG2      ILE  55  -7.839   2.803  -6.672
  420   2HG2  ILE  55          2HG2      ILE  55  -7.460   1.382  -7.646
  421   3HG2  ILE  55          1HG2      ILE  55  -8.026   2.860  -8.425
  422   1HD1  ILE  55          2HD1      ILE  55  -8.932   1.835  -4.906
  423   2HD1  ILE  55          1HD1      ILE  55  -9.078   0.141  -4.437
  424   3HD1  ILE  55          3HD1      ILE  55  -7.732   0.663  -5.450
  425    H    ALA  56           H        ALA  56  -8.788   4.759  -7.385
  426    HA   ALA  56           HA       ALA  56 -10.693   6.187  -9.155
  427   1HB   ALA  56          2HB       ALA  56  -8.822   7.072  -7.301
  428   2HB   ALA  56          1HB       ALA  56  -8.031   7.367  -8.850
  429   3HB   ALA  56          3HB       ALA  56  -9.614   8.072  -8.520
  430    H    GLU  57           H        GLU  57  -7.187   5.444  -9.321
  431    HA   GLU  57           HA       GLU  57  -7.326   4.021 -11.785
  432   1HB   GLU  57          2HB       GLU  57  -6.484   5.754 -13.337
  433   2HB   GLU  57          1HB       GLU  57  -8.078   6.178 -12.710
  434   1HG   GLU  57          2HG       GLU  57  -6.666   7.401 -10.837
  435   2HG   GLU  57          1HG       GLU  57  -5.410   7.387 -12.075
  436    H    ILE  58           H        ILE  58  -5.253   3.271 -12.381
  437    HA   ILE  58           HA       ILE  58  -3.113   3.936 -10.425
  438    HB   ILE  58           HB       ILE  58  -3.244   1.677 -12.446
  439   1HG1  ILE  58          2HG1      ILE  58  -5.036   1.382 -10.854
  440   2HG1  ILE  58          1HG1      ILE  58  -3.724   0.301 -10.371
  441   1HG2  ILE  58          1HG2      ILE  58  -1.449   2.207 -10.058
  442   2HG2  ILE  58          3HG2      ILE  58  -1.458   0.714 -10.997
  443   3HG2  ILE  58          2HG2      ILE  58  -0.964   2.228 -11.754
  444   1HD1  ILE  58          2HD1      ILE  58  -2.931   2.101  -8.792
  445   2HD1  ILE  58          1HD1      ILE  58  -4.397   3.004  -9.176
  446   3HD1  ILE  58          3HD1      ILE  58  -4.511   1.432  -8.385
  447    H    VAL  59           H        VAL  59  -1.409   5.171 -11.062
  448    HA   VAL  59           HA       VAL  59  -1.220   5.947 -13.907
  449    HB   VAL  59           HB       VAL  59   0.500   6.897 -11.603
  450   1HG1  VAL  59          3HG1      VAL  59  -0.163   7.930 -14.368
  451   2HG1  VAL  59          2HG1      VAL  59   0.553   8.955 -13.124
  452   3HG1  VAL  59          1HG1      VAL  59   1.426   7.538 -13.708
  453   1HG2  VAL  59          2HG2      VAL  59  -1.920   7.208 -11.101
  454   2HG2  VAL  59          1HG2      VAL  59  -1.093   8.745 -11.354
  455   3HG2  VAL  59          3HG2      VAL  59  -2.106   8.068 -12.629
  456    H    LYS  60           H        LYS  60   0.522   4.054 -11.515
  457    HA   LYS  60           HA       LYS  60   2.824   3.706 -13.337
  458   1HB   LYS  60          2HB       LYS  60   2.558   3.688 -10.570
  459   2HB   LYS  60          1HB       LYS  60   2.745   1.981 -10.975
  460   1HG   LYS  60          2HG       LYS  60   4.972   2.595 -10.840
  461   2HG   LYS  60          1HG       LYS  60   4.672   2.928 -12.547
  462   1HD   LYS  60          2HD       LYS  60   3.972   5.149 -10.738
  463   2HD   LYS  60          1HD       LYS  60   5.691   4.754 -10.773
  464   1HE   LYS  60          2HE       LYS  60   5.933   5.626 -12.839
  465   2HE   LYS  60          1HE       LYS  60   4.540   4.731 -13.447
  466   1HZ   LYS  60          1HZ       LYS  60   3.381   6.588 -11.895
  467   2HZ   LYS  60          3HZ       LYS  60   4.712   7.451 -12.494
  468   3HZ   LYS  60          2HZ       LYS  60   3.606   6.743 -13.572
  469    H    ASN  61           H        ASN  61   3.364   1.680 -14.274
  470    HA   ASN  61           HA       ASN  61   1.082  -0.249 -14.376
  471   1HB   ASN  61          2HB       ASN  61   3.201   0.515 -16.385
  472   2HB   ASN  61          1HB       ASN  61   2.299  -0.993 -16.534
  473   1HD2  ASN  61          2HD2      ASN  61   0.249   2.557 -16.958
  474   2HD2  ASN  61          1HD2      ASN  61   1.681   2.531 -16.032
  475    H    GLU  62           H        GLU  62   1.648  -2.541 -14.421
  476    HA   GLU  62           HA       GLU  62   3.589  -3.287 -12.474
  477   1HB   GLU  62          2HB       GLU  62   2.713  -5.199 -14.623
  478   2HB   GLU  62          1HB       GLU  62   2.953  -5.496 -12.900
  479   1HG   GLU  62          2HG       GLU  62   0.726  -5.242 -12.655
  480   2HG   GLU  62          1HG       GLU  62   0.968  -3.527 -12.992
  481    H    GLY  63           H        GLY  63   5.727  -3.931 -12.665
  482   1HA   GLY  63          2HA       GLY  63   7.707  -4.628 -13.817
  483   2HA   GLY  63          1HA       GLY  63   6.888  -4.328 -15.354
  484    H    ASP  64           H        ASP  64   6.318  -1.725 -13.336
  485    HA   ASP  64           HA       ASP  64   8.509  -0.199 -14.662
  486   1HB   ASP  64          2HB       ASP  64   6.605   0.921 -15.298
  487   2HB   ASP  64          1HB       ASP  64   5.707   0.454 -13.855
  488    H    THR  65           H        THR  65   9.248   1.734 -13.284
  489    HA   THR  65           HA       THR  65   9.840   0.706 -10.550
  490    HB   THR  65           HB       THR  65  11.705   1.335 -12.186
  491    HG1  THR  65           HG1      THR  65  12.891   2.268 -10.518
  492   1HG2  THR  65          2HG2      THR  65  10.190   3.637 -12.474
  493   2HG2  THR  65          1HG2      THR  65  11.517   4.156 -11.435
  494   3HG2  THR  65          3HG2      THR  65  11.859   3.433 -13.007
  495    H    VAL  66           H        VAL  66   9.686   2.188  -8.737
  496    HA   VAL  66           HA       VAL  66   7.979   4.585  -9.260
  497    HB   VAL  66           HB       VAL  66   6.766   4.057  -7.137
  498   1HG1  VAL  66          2HG1      VAL  66   5.966   3.353  -9.442
  499   2HG1  VAL  66          1HG1      VAL  66   6.643   1.759  -9.107
  500   3HG1  VAL  66          3HG1      VAL  66   5.332   2.389  -8.108
  501   1HG2  VAL  66          2HG2      VAL  66   8.877   2.147  -6.911
  502   2HG2  VAL  66          1HG2      VAL  66   7.580   2.470  -5.761
  503   3HG2  VAL  66          3HG2      VAL  66   7.359   1.256  -7.021
  504    H    LEU  67           H        LEU  67   8.686   6.407  -8.216
  505    HA   LEU  67           HA       LEU  67  11.107   6.145  -6.532
  506   1HB   LEU  67          2HB       LEU  67  10.081   8.107  -8.365
  507   2HB   LEU  67          1HB       LEU  67  10.325   8.864  -6.791
  508    HG   LEU  67           HG       LEU  67  12.551   7.147  -7.285
  509   1HD1  LEU  67          1HD1      LEU  67  11.509   7.855  -9.715
  510   2HD1  LEU  67          3HD1      LEU  67  12.614   9.196  -9.413
  511   3HD1  LEU  67          2HD1      LEU  67  13.221   7.540  -9.426
  512   1HD2  LEU  67          3HD2      LEU  67  12.148   9.478  -6.054
  513   2HD2  LEU  67          2HD2      LEU  67  13.741   9.038  -6.670
  514   3HD2  LEU  67          1HD2      LEU  67  12.704  10.120  -7.599
  515    H    SER  68           H        SER  68  11.173   7.691  -4.573
  516    HA   SER  68           HA       SER  68   9.161   6.946  -2.708
  517   1HB   SER  68          2HB       SER  68  11.607   8.299  -2.607
  518   2HB   SER  68          1HB       SER  68  10.431   9.480  -2.035
  519    HG   SER  68           HG       SER  68   9.683   7.873  -0.573
  520    H    GLY  69           H        GLY  69   7.314   8.027  -1.968
  521   1HA   GLY  69          2HA       GLY  69   5.526   9.551  -2.015
  522   2HA   GLY  69          1HA       GLY  69   6.643  10.728  -2.707
  523    H    GLU  70           H        GLU  70   6.586   7.820  -4.459
  524    HA   GLU  70           HA       GLU  70   5.456   9.111  -6.785
  525   1HB   GLU  70          2HB       GLU  70   7.089   7.369  -7.119
  526   2HB   GLU  70          1HB       GLU  70   6.132   6.219  -6.184
  527   1HG   GLU  70          2HG       GLU  70   5.794   5.772  -8.552
  528   2HG   GLU  70          1HG       GLU  70   4.304   6.437  -7.882
  529    H    LEU  71           H        LEU  71   3.317   9.418  -7.144
  530    HA   LEU  71           HA       LEU  71   1.315   8.074  -5.499
  531   1HB   LEU  71          2HB       LEU  71   1.029  10.422  -6.239
  532   2HB   LEU  71          1HB       LEU  71   0.969   9.876  -7.916
  533    HG   LEU  71           HG       LEU  71  -0.897   8.593  -5.966
  534   1HD1  LEU  71          1HD1      LEU  71  -1.303  11.351  -7.165
  535   2HD1  LEU  71          3HD1      LEU  71  -2.538  10.417  -6.322
  536   3HD1  LEU  71          2HD1      LEU  71  -1.116  10.988  -5.450
  537   1HD2  LEU  71          3HD2      LEU  71  -0.809   9.284  -8.896
  538   2HD2  LEU  71          2HD2      LEU  71  -1.076   7.715  -8.135
  539   3HD2  LEU  71          1HD2      LEU  71  -2.352   8.932  -8.117
  540    H    LEU  72           H        LEU  72   0.802   5.983  -5.948
  541    HA   LEU  72           HA       LEU  72   1.030   4.968  -8.709
  542   1HB   LEU  72          2HB       LEU  72   0.039   3.462  -6.279
  543   2HB   LEU  72          1HB       LEU  72   0.721   2.794  -7.763
  544    HG   LEU  72           HG       LEU  72   2.438   4.718  -6.290
  545   1HD1  LEU  72          2HD1      LEU  72   1.439   2.153  -5.139
  546   2HD1  LEU  72          1HD1      LEU  72   3.159   2.501  -4.964
  547   3HD1  LEU  72          3HD1      LEU  72   1.963   3.624  -4.319
  548   1HD2  LEU  72          2HD2      LEU  72   2.668   2.296  -8.014
  549   2HD2  LEU  72          1HD2      LEU  72   3.595   3.796  -8.055
  550   3HD2  LEU  72          3HD2      LEU  72   3.960   2.568  -6.844
  551    H    GLY  73           H        GLY  73  -1.404   6.145  -6.547
  552   1HA   GLY  73          2HA       GLY  73  -3.422   6.351  -8.494
  553   2HA   GLY  73          1HA       GLY  73  -3.674   4.796  -7.693
  554    H    LYS  74           H        LYS  74  -5.740   6.261  -7.221
  555    HA   LYS  74           HA       LYS  74  -5.336   7.313  -4.466
  556   1HB   LYS  74          2HB       LYS  74  -7.144   8.727  -6.428
  557   2HB   LYS  74          1HB       LYS  74  -6.534   9.314  -4.880
  558   1HG   LYS  74          2HG       LYS  74  -5.080  10.422  -6.288
  559   2HG   LYS  74          1HG       LYS  74  -4.181   8.918  -6.080
  560   1HD   LYS  74          2HD       LYS  74  -4.217   8.786  -8.342
  561   2HD   LYS  74          1HD       LYS  74  -5.902   8.301  -8.150
  562   1HE   LYS  74          2HE       LYS  74  -6.482  10.787  -8.167
  563   2HE   LYS  74          1HE       LYS  74  -4.825  11.073  -8.700
  564   1HZ   LYS  74          3HZ       LYS  74  -5.731   9.059 -10.309
  565   2HZ   LYS  74          2HZ       LYS  74  -7.063  10.105 -10.182
  566   3HZ   LYS  74          1HZ       LYS  74  -5.570  10.691 -10.742
  567    H    LEU  75           H        LEU  75  -7.275   7.183  -3.160
  568    HA   LEU  75           HA       LEU  75  -9.124   5.072  -4.120
  569   1HB   LEU  75          2HB       LEU  75  -7.945   5.027  -1.830
  570   2HB   LEU  75          1HB       LEU  75  -9.075   6.297  -1.358
  571    HG   LEU  75           HG       LEU  75 -10.573   4.251  -2.665
  572   1HD1  LEU  75          1HD1      LEU  75  -8.434   3.294  -0.800
  573   2HD1  LEU  75          3HD1      LEU  75 -10.021   2.527  -0.721
  574   3HD1  LEU  75          2HD1      LEU  75  -9.106   2.509  -2.229
  575   1HD2  LEU  75          2HD2      LEU  75 -10.919   5.966  -0.611
  576   2HD2  LEU  75          1HD2      LEU  75 -11.928   4.536  -0.828
  577   3HD2  LEU  75          3HD2      LEU  75 -10.577   4.497   0.304
  578    H    THR  76           H        THR  76 -11.451   5.365  -3.892
  579    HA   THR  76           HA       THR  76 -12.237   8.231  -4.179
  580    HB   THR  76           HB       THR  76 -13.880   5.817  -4.971
  581    HG1  THR  76           HG1      THR  76 -12.070   7.334  -6.541
  582   1HG2  THR  76          3HG2      THR  76 -14.061   8.763  -5.252
  583   2HG2  THR  76          2HG2      THR  76 -14.507   7.825  -6.677
  584   3HG2  THR  76          1HG2      THR  76 -15.346   7.560  -5.148
  585    H    GLU  77           H        GLU  77 -14.595   8.612  -3.389
  586    HA   GLU  77           HA       GLU  77 -14.696   7.824  -0.578
  587   1HB   GLU  77          2HB       GLU  77 -16.462   9.529  -2.343
  588   2HB   GLU  77          1HB       GLU  77 -16.883   9.165  -0.669
  589   1HG   GLU  77          2HG       GLU  77 -14.307   9.939  -0.342
  590   2HG   GLU  77          1HG       GLU  77 -14.745  10.920  -1.742
  591    H    GLY  78           H        GLY  78 -16.212   6.435   0.376
  592   1HA   GLY  78          2HA       GLY  78 -17.654   4.665  -1.540
  593   2HA   GLY  78          1HA       GLY  78 -17.208   4.222   0.108
  594    H    GLY  79           HN       GLY  79 -19.711   3.669  -0.231
  595   1HA   GLY  79          2HA       GLY  79 -21.817   4.097   0.738
  596   2HA   GLY  79          1HA       GLY  79 -21.150   5.585   1.411
   
  No H/Q in entry =         596
  Start of MODEL    2
    1   1H    ALA   1          3H        ALA   1 -11.287   8.403   1.349
    2   2H    ALA   1          2H        ALA   1 -12.522   9.558   1.186
    3   3H    ALA   1          1H        ALA   1 -12.350   8.325   0.030
    4    HA   ALA   1           HA       ALA   1 -10.910   9.503  -1.146
    5   1HB   ALA   1          2HB       ALA   1 -12.265  11.345   0.606
    6   2HB   ALA   1          1HB       ALA   1 -10.620  11.914   0.318
    7   3HB   ALA   1          3HB       ALA   1 -11.699  11.608  -1.044
    8    H    ILE   2           H        ILE   2  -8.979   8.344  -0.837
    9    HA   ILE   2           HA       ILE   2  -7.051   9.636   1.032
   10    HB   ILE   2           HB       ILE   2  -6.189   7.426   1.699
   11   1HG1  ILE   2          2HG1      ILE   2  -8.524   5.945   0.687
   12   2HG1  ILE   2          1HG1      ILE   2  -7.453   6.533  -0.585
   13   1HG2  ILE   2          1HG2      ILE   2  -9.091   8.090   2.128
   14   2HG2  ILE   2          3HG2      ILE   2  -8.417   6.620   2.830
   15   3HG2  ILE   2          2HG2      ILE   2  -7.748   8.192   3.267
   16   1HD1  ILE   2          1HD1      ILE   2  -6.102   5.326   1.760
   17   2HD1  ILE   2          3HD1      ILE   2  -7.036   4.210   0.762
   18   3HD1  ILE   2          2HD1      ILE   2  -5.737   5.162   0.042
   19    H    ASP   3           H        ASP   3  -4.743   8.746   0.473
   20    HA   ASP   3           HA       ASP   3  -4.554   8.477  -2.502
   21   1HB   ASP   3          2HB       ASP   3  -3.792  10.697  -1.618
   22   2HB   ASP   3          1HB       ASP   3  -2.570   9.849  -0.662
   23    H    ILE   4           H        ILE   4  -3.256   6.827  -3.251
   24    HA   ILE   4           HA       ILE   4  -1.893   5.172  -1.167
   25    HB   ILE   4           HB       ILE   4  -2.946   4.386  -3.903
   26   1HG1  ILE   4          2HG1      ILE   4  -3.888   3.396  -1.211
   27   2HG1  ILE   4          1HG1      ILE   4  -4.567   4.855  -1.931
   28   1HG2  ILE   4          1HG2      ILE   4  -1.466   2.868  -1.746
   29   2HG2  ILE   4          3HG2      ILE   4  -2.447   2.052  -2.964
   30   3HG2  ILE   4          2HG2      ILE   4  -1.051   3.012  -3.455
   31   1HD1  ILE   4          2HD1      ILE   4  -4.442   2.190  -3.365
   32   2HD1  ILE   4          1HD1      ILE   4  -5.851   2.745  -2.461
   33   3HD1  ILE   4          3HD1      ILE   4  -5.306   3.638  -3.880
   34    H    LYS   5           H        LYS   5   0.289   5.367  -1.198
   35    HA   LYS   5           HA       LYS   5   1.634   5.683  -3.844
   36   1HB   LYS   5          2HB       LYS   5   3.092   7.388  -2.994
   37   2HB   LYS   5          1HB       LYS   5   1.452   7.883  -2.573
   38   1HG   LYS   5          2HG       LYS   5   2.002   6.457  -0.374
   39   2HG   LYS   5          1HG       LYS   5   3.651   6.911  -0.807
   40   1HD   LYS   5          2HD       LYS   5   2.946   8.691   0.566
   41   2HD   LYS   5          1HD       LYS   5   2.687   9.312  -1.066
   42   1HE   LYS   5          2HE       LYS   5   0.355   7.846  -0.268
   43   2HE   LYS   5          1HE       LYS   5   0.760   8.998   1.006
   44   1HZ   LYS   5          2HZ       LYS   5   0.992  10.683  -0.828
   45   2HZ   LYS   5          1HZ       LYS   5   0.254   9.551  -1.859
   46   3HZ   LYS   5          3HZ       LYS   5  -0.590  10.148  -0.514
   47    H    ALA   6           H        ALA   6   3.866   4.899  -3.831
   48    HA   ALA   6           HA       ALA   6   4.219   2.446  -2.447
   49   1HB   ALA   6          3HB       ALA   6   5.548   3.776  -4.471
   50   2HB   ALA   6          2HB       ALA   6   6.723   3.806  -3.157
   51   3HB   ALA   6          1HB       ALA   6   6.080   2.267  -3.729
   52    HA   PRO   7           HA       PRO   7   5.817   3.631   1.462
   53   1HB   PRO   7          2HB       PRO   7   7.603   1.591   1.919
   54   2HB   PRO   7          1HB       PRO   7   5.845   1.391   2.008
   55   1HG   PRO   7          2HG       PRO   7   7.730   0.483  -0.116
   56   2HG   PRO   7          1HG       PRO   7   6.159  -0.188   0.351
   57   1HD   PRO   7          2HD       PRO   7   6.655   1.462  -1.895
   58   2HD   PRO   7          1HD       PRO   7   5.057   1.058  -1.227
   59    H    THR   8           H        THR   8   8.085   3.851   2.658
   60    HA   THR   8           HA       THR   8   9.737   5.577   0.991
   61    HB   THR   8           HB       THR   8  10.959   4.847   3.519
   62    HG1  THR   8           HG1      THR   8   9.313   5.029   4.828
   63   1HG2  THR   8          1HG2      THR   8  11.055   6.992   2.034
   64   2HG2  THR   8          3HG2      THR   8   9.578   7.441   2.887
   65   3HG2  THR   8          2HG2      THR   8  11.069   7.171   3.789
   66    H    PHE   9           H        PHE   9  12.264   5.201   1.270
   67    HA   PHE   9           HA       PHE   9  12.895   2.305   0.973
   68   1HB   PHE   9          2HB       PHE   9  13.613   4.501  -0.993
   69   2HB   PHE   9          1HB       PHE   9  14.330   2.887  -1.011
   70    HD1  PHE   9           HD2      PHE   9  12.075   1.147  -0.345
   71    HD2  PHE   9           HD1      PHE   9  12.202   4.621  -2.871
   72    HE1  PHE   9           HE2      PHE   9  10.124   0.292  -1.618
   73    HE2  PHE   9           HE1      PHE   9  10.252   3.767  -4.144
   74    HZ   PHE   9           HZ       PHE   9   9.214   1.602  -3.519
   75    HA   PRO  10           HA       PRO  10  15.953   4.645   3.539
   76   1HB   PRO  10          2HB       PRO  10  15.662   3.071   5.774
   77   2HB   PRO  10          1HB       PRO  10  14.692   4.522   5.465
   78   1HG   PRO  10          2HG       PRO  10  13.902   1.654   5.243
   79   2HG   PRO  10          1HG       PRO  10  12.894   3.074   5.564
   80   1HD   PRO  10          2HD       PRO  10  13.127   1.735   3.081
   81   2HD   PRO  10          1HD       PRO  10  12.395   3.335   3.342
   82    H    GLU  11           H        GLU  11  15.623   1.658   2.113
   83    HA   GLU  11           HA       GLU  11  17.998   0.396   3.304
   84   1HB   GLU  11          2HB       GLU  11  16.397  -0.428   0.862
   85   2HB   GLU  11          1HB       GLU  11  17.559  -1.423   1.739
   86   1HG   GLU  11          2HG       GLU  11  14.972  -0.309   2.866
   87   2HG   GLU  11          1HG       GLU  11  15.268  -1.991   2.422
   88    H    SER  12           H        SER  12  18.678   2.884   2.294
   89    HA   SER  12           HA       SER  12  19.971   4.000   0.666
   90   1HB   SER  12          2HB       SER  12  21.731   2.947   1.815
   91   2HB   SER  12          1HB       SER  12  21.284   1.349   1.215
   92    HG   SER  12           HG       SER  12  22.575   1.715  -0.393
   93    H    ILE  13           H        ILE  13  17.691   2.744  -0.530
   94    HA   ILE  13           HA       ILE  13  18.772   1.535  -3.022
   95    HB   ILE  13           HB       ILE  13  15.854   1.919  -2.338
   96   1HG1  ILE  13          2HG1      ILE  13  16.998   0.763  -0.451
   97   2HG1  ILE  13          1HG1      ILE  13  15.890  -0.308  -1.310
   98   1HG2  ILE  13          1HG2      ILE  13  16.696   1.225  -4.661
   99   2HG2  ILE  13          3HG2      ILE  13  17.212  -0.282  -3.904
  100   3HG2  ILE  13          2HG2      ILE  13  15.505   0.163  -3.909
  101   1HD1  ILE  13          2HD1      ILE  13  18.821  -0.155  -2.021
  102   2HD1  ILE  13          1HD1      ILE  13  18.224  -1.249  -0.773
  103   3HD1  ILE  13          3HD1      ILE  13  17.661  -1.418  -2.436
  104    H    ALA  14           H        ALA  14  18.071   2.417  -5.102
  105    HA   ALA  14           HA       ALA  14  17.808   5.366  -4.985
  106   1HB   ALA  14          3HB       ALA  14  19.391   3.809  -6.535
  107   2HB   ALA  14          2HB       ALA  14  17.997   3.978  -7.603
  108   3HB   ALA  14          1HB       ALA  14  18.845   5.414  -7.026
  109    H    ASP  15           H        ASP  15  15.741   2.778  -5.097
  110    HA   ASP  15           HA       ASP  15  13.380   4.163  -5.482
  111   1HB   ASP  15          2HB       ASP  15  12.935   3.438  -7.969
  112   2HB   ASP  15          1HB       ASP  15  13.831   4.923  -7.648
  113    H    GLY  16           H        GLY  16  11.734   2.486  -6.879
  114   1HA   GLY  16          2HA       GLY  16  12.395  -0.265  -5.944
  115   2HA   GLY  16          1HA       GLY  16  10.861   0.464  -5.469
  116    H    THR  17           H        THR  17  10.103  -1.560  -6.703
  117    HA   THR  17           HA       THR  17   9.419  -0.714  -9.450
  118    HB   THR  17           HB       THR  17  10.772  -3.361  -8.843
  119    HG1  THR  17           HG1      THR  17  11.543  -0.959 -10.061
  120   1HG2  THR  17          1HG2      THR  17   8.816  -3.164 -10.602
  121   2HG2  THR  17          3HG2      THR  17  10.056  -2.388 -11.588
  122   3HG2  THR  17          2HG2      THR  17  10.292  -4.039 -11.014
  123    H    VAL  18           H        VAL  18   7.262  -1.046  -9.658
  124    HA   VAL  18           HA       VAL  18   5.608  -2.250  -7.742
  125    HB   VAL  18           HB       VAL  18   5.064  -2.194 -10.725
  126   1HG1  VAL  18          2HG1      VAL  18   3.355  -2.374  -8.242
  127   2HG1  VAL  18          1HG1      VAL  18   2.696  -1.807  -9.776
  128   3HG1  VAL  18          3HG1      VAL  18   3.356  -3.437  -9.648
  129   1HG2  VAL  18          1HG2      VAL  18   4.799  -0.056  -8.594
  130   2HG2  VAL  18          3HG2      VAL  18   5.747   0.024 -10.079
  131   3HG2  VAL  18          2HG2      VAL  18   3.985   0.033 -10.155
  132    H    ALA  19           H        ALA  19   4.237  -4.293  -8.152
  133    HA   ALA  19           HA       ALA  19   6.061  -6.467  -9.097
  134   1HB   ALA  19          1HB       ALA  19   5.015  -6.177  -6.598
  135   2HB   ALA  19          3HB       ALA  19   3.773  -7.173  -7.356
  136   3HB   ALA  19          2HB       ALA  19   5.443  -7.735  -7.303
  137    H    THR  20           H        THR  20   2.542  -6.315  -8.479
  138    HA   THR  20           HA       THR  20   1.934  -6.645 -11.323
  139    HB   THR  20           HB       THR  20   1.615  -8.938  -9.371
  140    HG1  THR  20           HG1      THR  20   2.818  -8.622 -11.917
  141   1HG2  THR  20          2HG2      THR  20  -0.496  -8.494 -10.657
  142   2HG2  THR  20          1HG2      THR  20   0.425  -8.702 -12.147
  143   3HG2  THR  20          3HG2      THR  20   0.241 -10.052 -11.026
  144    H    TRP  21           H        TRP  21  -0.148  -5.932 -11.719
  145    HA   TRP  21           HA       TRP  21  -1.691  -4.981  -9.401
  146   1HB   TRP  21          2HB       TRP  21  -1.633  -4.477 -12.341
  147   2HB   TRP  21          1HB       TRP  21  -3.159  -4.222 -11.501
  148    HD1  TRP  21           HD1      TRP  21   0.309  -2.801 -11.911
  149    HE1  TRP  21           HE1      TRP  21   0.483  -0.577 -10.605
  150    HE3  TRP  21           HE3      TRP  21  -4.094  -2.927  -9.316
  151    HZ2  TRP  21           HZ2      TRP  21  -1.011   0.927  -8.742
  152    HZ3  TRP  21           HZ3      TRP  21  -4.693  -1.076  -7.776
  153    HH2  TRP  21           HH2      TRP  21  -3.157   0.853  -7.484
  154    H    HIS  22           H        HIS  22  -2.351  -7.120  -8.644
  155    HA   HIS  22           HA       HIS  22  -3.591  -9.175 -10.034
  156   1HB   HIS  22          2HB       HIS  22  -5.000  -8.245  -7.555
  157   2HB   HIS  22          1HB       HIS  22  -4.547  -9.882  -8.037
  158    HD1  HIS  22           HD1      HIS  22  -3.095  -6.713  -6.607
  159    HD2  HIS  22           HD2      HIS  22  -1.962 -10.676  -7.221
  160    HE1  HIS  22           HE1      HIS  22  -0.855  -6.994  -5.493
  161    H    LYS  23           H        LYS  23  -5.609  -6.669  -8.461
  162    HA   LYS  23           HA       LYS  23  -7.624  -7.098 -10.603
  163   1HB   LYS  23          2HB       LYS  23  -7.810  -5.610  -7.966
  164   2HB   LYS  23          1HB       LYS  23  -9.143  -5.842  -9.098
  165   1HG   LYS  23          2HG       LYS  23  -8.103  -8.407  -8.740
  166   2HG   LYS  23          1HG       LYS  23  -8.054  -7.694  -7.128
  167   1HD   LYS  23          2HD       LYS  23 -10.242  -8.294  -7.019
  168   2HD   LYS  23          1HD       LYS  23 -10.514  -6.868  -8.023
  169   1HE   LYS  23          2HE       LYS  23  -9.694  -9.023  -9.721
  170   2HE   LYS  23          1HE       LYS  23 -11.006  -9.595  -8.691
  171   1HZ   LYS  23          2HZ       LYS  23 -11.353  -6.941  -9.806
  172   2HZ   LYS  23          1HZ       LYS  23 -11.382  -8.210 -10.934
  173   3HZ   LYS  23          3HZ       LYS  23 -12.474  -8.207  -9.637
  174    H    LYS  24           H        LYS  24  -8.919  -4.728 -10.735
  175    HA   LYS  24           HA       LYS  24  -6.815  -2.727 -11.458
  176   1HB   LYS  24          2HB       LYS  24  -8.773  -4.050 -13.165
  177   2HB   LYS  24          1HB       LYS  24  -8.948  -2.296 -13.210
  178   1HG   LYS  24          2HG       LYS  24  -6.298  -2.381 -13.401
  179   2HG   LYS  24          1HG       LYS  24  -6.629  -3.990 -14.044
  180   1HD   LYS  24          2HD       LYS  24  -7.990  -3.113 -15.802
  181   2HD   LYS  24          1HD       LYS  24  -8.042  -1.515 -15.056
  182   1HE   LYS  24          2HE       LYS  24  -5.331  -1.957 -15.312
  183   2HE   LYS  24          1HE       LYS  24  -5.977  -2.711 -16.770
  184   1HZ   LYS  24          3HZ       LYS  24  -7.272  -0.618 -17.107
  185   2HZ   LYS  24          2HZ       LYS  24  -6.367   0.080 -15.850
  186   3HZ   LYS  24          1HZ       LYS  24  -5.593  -0.447 -17.268
  187    HA   PRO  25           HA       PRO  25  -9.312   0.272  -9.460
  188   1HB   PRO  25          2HB       PRO  25  -9.144   2.415 -11.177
  189   2HB   PRO  25          1HB       PRO  25  -7.812   1.887 -10.134
  190   1HG   PRO  25          2HG       PRO  25  -8.159   1.509 -13.078
  191   2HG   PRO  25          1HG       PRO  25  -6.667   1.637 -12.132
  192   1HD   PRO  25          2HD       PRO  25  -7.770  -0.764 -13.106
  193   2HD   PRO  25          1HD       PRO  25  -6.541  -0.637 -11.830
  194    H    GLY  26           H        GLY  26 -11.516   0.493  -9.307
  195   1HA   GLY  26          2HA       GLY  26 -13.557   1.457 -10.447
  196   2HA   GLY  26          1HA       GLY  26 -13.093   0.488 -11.852
  197    H    GLU  27           H        GLU  27 -12.220  -1.540  -9.573
  198    HA   GLU  27           HA       GLU  27 -14.846  -2.923  -9.578
  199   1HB   GLU  27          2HB       GLU  27 -12.041  -3.855  -8.905
  200   2HB   GLU  27          1HB       GLU  27 -13.474  -4.872  -8.745
  201   1HG   GLU  27          2HG       GLU  27 -13.084  -3.470 -11.348
  202   2HG   GLU  27          1HG       GLU  27 -12.016  -4.829 -10.995
  203    H    ALA  28           H        ALA  28 -15.421  -4.095  -7.490
  204    HA   ALA  28           HA       ALA  28 -15.297  -2.176  -5.280
  205   1HB   ALA  28          3HB       ALA  28 -17.203  -3.937  -6.072
  206   2HB   ALA  28          2HB       ALA  28 -16.412  -4.888  -4.815
  207   3HB   ALA  28          1HB       ALA  28 -17.094  -3.310  -4.428
  208    H    VAL  29           H        VAL  29 -13.963  -2.322  -3.515
  209    HA   VAL  29           HA       VAL  29 -12.491  -4.879  -3.079
  210    HB   VAL  29           HB       VAL  29 -10.402  -3.638  -2.723
  211   1HG1  VAL  29          1HG1      VAL  29 -11.443  -4.294  -5.108
  212   2HG1  VAL  29          3HG1      VAL  29 -11.332  -2.550  -5.339
  213   3HG1  VAL  29          2HG1      VAL  29  -9.884  -3.484  -4.961
  214   1HG2  VAL  29          3HG2      VAL  29 -12.216  -1.417  -2.603
  215   2HG2  VAL  29          2HG2      VAL  29 -10.486  -1.435  -2.261
  216   3HG2  VAL  29          1HG2      VAL  29 -11.058  -1.125  -3.900
  217    H    LYS  30           H        LYS  30 -12.333  -5.418  -0.928
  218    HA   LYS  30           HA       LYS  30 -13.246  -3.354   1.039
  219   1HB   LYS  30          2HB       LYS  30 -14.163  -5.183   2.377
  220   2HB   LYS  30          1HB       LYS  30 -14.822  -5.270   0.743
  221   1HG   LYS  30          2HG       LYS  30 -13.269  -7.022   0.139
  222   2HG   LYS  30          1HG       LYS  30 -12.403  -6.846   1.665
  223   1HD   LYS  30          2HD       LYS  30 -14.004  -7.969   2.863
  224   2HD   LYS  30          1HD       LYS  30 -15.324  -7.376   1.854
  225   1HE   LYS  30          2HE       LYS  30 -15.270  -9.589   1.174
  226   2HE   LYS  30          1HE       LYS  30 -14.141  -8.887   0.016
  227   1HZ   LYS  30          2HZ       LYS  30 -12.579  -9.419   2.163
  228   2HZ   LYS  30          1HZ       LYS  30 -13.652 -10.736   2.157
  229   3HZ   LYS  30          3HZ       LYS  30 -12.717 -10.400   0.782
  230    H    ARG  31           H        ARG  31 -12.067  -3.202   2.990
  231    HA   ARG  31           HA       ARG  31  -9.332  -3.497   3.000
  232   1HB   ARG  31          2HB       ARG  31 -10.774  -2.408   4.791
  233   2HB   ARG  31          1HB       ARG  31 -10.999  -4.020   5.471
  234   1HG   ARG  31          2HG       ARG  31  -8.531  -4.263   5.651
  235   2HG   ARG  31          1HG       ARG  31  -8.344  -2.614   5.052
  236   1HD   ARG  31          2HD       ARG  31  -8.800  -1.742   7.081
  237   2HD   ARG  31          1HD       ARG  31 -10.251  -2.731   7.246
  238    HE   ARG  31           HE       ARG  31  -8.225  -4.529   7.733
  239   1HH1  ARG  31          1HH2      ARG  31  -9.430  -1.593   9.045
  240   2HH1  ARG  31          2HH2      ARG  31  -8.578  -1.751  10.544
  241   1HH2  ARG  31          2HH1      ARG  31  -6.939  -4.660   9.614
  242   2HH2  ARG  31          1HH1      ARG  31  -7.168  -3.487  10.867
  243    H    ASP  32           H        ASP  32  -7.880  -5.104   3.949
  244    HA   ASP  32           HA       ASP  32  -7.172  -7.298   4.430
  245   1HB   ASP  32          2HB       ASP  32  -9.376  -7.291   5.794
  246   2HB   ASP  32          1HB       ASP  32 -10.059  -8.170   4.426
  247    H    GLU  33           H        GLU  33  -7.764  -6.222   1.714
  248    HA   GLU  33           HA       GLU  33  -7.887  -8.855   0.325
  249   1HB   GLU  33          2HB       GLU  33 -10.097  -7.480   0.250
  250   2HB   GLU  33          1HB       GLU  33  -9.218  -6.424  -0.859
  251   1HG   GLU  33          2HG       GLU  33  -8.649  -8.486  -2.215
  252   2HG   GLU  33          1HG       GLU  33  -9.774  -9.382  -1.194
  253    H    LEU  34           H        LEU  34  -5.886  -9.003  -0.577
  254    HA   LEU  34           HA       LEU  34  -3.996  -7.052  -1.014
  255   1HB   LEU  34          2HB       LEU  34  -3.624  -9.473  -1.424
  256   2HB   LEU  34          1HB       LEU  34  -4.568  -9.349  -2.908
  257    HG   LEU  34           HG       LEU  34  -2.954  -7.575  -3.692
  258   1HD1  LEU  34          3HD1      LEU  34  -1.680  -8.360  -1.083
  259   2HD1  LEU  34          2HD1      LEU  34  -0.670  -7.821  -2.425
  260   3HD1  LEU  34          1HD1      LEU  34  -1.908  -6.751  -1.767
  261   1HD2  LEU  34          2HD2      LEU  34  -2.100 -10.408  -3.111
  262   2HD2  LEU  34          1HD2      LEU  34  -2.599  -9.701  -4.647
  263   3HD2  LEU  34          3HD2      LEU  34  -1.022  -9.302  -3.964
  264    H    ILE  35           H        ILE  35  -3.399  -5.740  -2.857
  265    HA   ILE  35           HA       ILE  35  -5.536  -5.336  -4.891
  266    HB   ILE  35           HB       ILE  35  -4.189  -3.016  -3.496
  267   1HG1  ILE  35          2HG1      ILE  35  -5.566  -4.463  -1.921
  268   2HG1  ILE  35          1HG1      ILE  35  -6.120  -2.795  -2.078
  269   1HG2  ILE  35          2HG2      ILE  35  -6.453  -3.390  -5.444
  270   2HG2  ILE  35          1HG2      ILE  35  -6.407  -1.968  -4.402
  271   3HG2  ILE  35          3HG2      ILE  35  -5.089  -2.277  -5.533
  272   1HD1  ILE  35          2HD1      ILE  35  -7.238  -4.897  -3.909
  273   2HD1  ILE  35          1HD1      ILE  35  -7.857  -4.762  -2.262
  274   3HD1  ILE  35          3HD1      ILE  35  -7.974  -3.389  -3.363
  275    H    VAL  36           H        VAL  36  -2.201  -4.703  -3.856
  276    HA   VAL  36           HA       VAL  36  -1.264  -5.126  -6.593
  277    HB   VAL  36           HB       VAL  36  -1.967  -2.710  -6.569
  278   1HG1  VAL  36          3HG1      VAL  36   0.262  -2.507  -4.520
  279   2HG1  VAL  36          2HG1      VAL  36  -0.583  -1.142  -5.250
  280   3HG1  VAL  36          1HG1      VAL  36  -1.455  -2.258  -4.200
  281   1HG2  VAL  36          1HG2      VAL  36   0.415  -3.890  -7.499
  282   2HG2  VAL  36          3HG2      VAL  36  -0.316  -2.391  -8.073
  283   3HG2  VAL  36          2HG2      VAL  36   0.901  -2.346  -6.798
  284    H    ASP  37           H        ASP  37   0.737  -6.054  -6.476
  285    HA   ASP  37           HA       ASP  37   2.048  -6.151  -3.824
  286   1HB   ASP  37          2HB       ASP  37   2.208  -7.747  -6.350
  287   2HB   ASP  37          1HB       ASP  37   3.613  -7.734  -5.282
  288    H    ILE  38           H        ILE  38   4.366  -5.701  -3.638
  289    HA   ILE  38           HA       ILE  38   5.379  -3.849  -5.757
  290    HB   ILE  38           HB       ILE  38   4.567  -2.641  -3.699
  291   1HG1  ILE  38          2HG1      ILE  38   7.576  -2.513  -4.064
  292   2HG1  ILE  38          1HG1      ILE  38   6.428  -1.815  -5.207
  293   1HG2  ILE  38          1HG2      ILE  38   6.140  -4.719  -2.455
  294   2HG2  ILE  38          3HG2      ILE  38   6.758  -3.136  -1.981
  295   3HG2  ILE  38          2HG2      ILE  38   5.065  -3.543  -1.698
  296   1HD1  ILE  38          3HD1      ILE  38   6.512  -1.125  -2.257
  297   2HD1  ILE  38          2HD1      ILE  38   7.284  -0.164  -3.519
  298   3HD1  ILE  38          1HD1      ILE  38   5.530  -0.346  -3.498
  299    H    GLU  39           H        GLU  39   7.795  -3.654  -5.704
  300    HA   GLU  39           HA       GLU  39   9.207  -5.863  -4.334
  301   1HB   GLU  39          2HB       GLU  39   8.372  -6.694  -6.598
  302   2HB   GLU  39          1HB       GLU  39   9.461  -5.516  -7.330
  303   1HG   GLU  39          2HG       GLU  39  11.017  -6.831  -5.401
  304   2HG   GLU  39          1HG       GLU  39  10.079  -8.108  -6.177
  305    H    THR  40           H        THR  40  10.783  -4.701  -3.328
  306    HA   THR  40           HA       THR  40  11.862  -2.256  -4.524
  307    HB   THR  40           HB       THR  40  13.428  -3.222  -2.303
  308    HG1  THR  40           HG1      THR  40  11.834  -3.550  -0.830
  309   1HG2  THR  40          2HG2      THR  40  12.560  -0.839  -3.242
  310   2HG2  THR  40          1HG2      THR  40  11.395  -1.091  -1.943
  311   3HG2  THR  40          3HG2      THR  40  13.122  -1.072  -1.587
  312    H    ASP  41           H        ASP  41  14.583  -2.514  -3.740
  313    HA   ASP  41           HA       ASP  41  15.865  -3.433  -5.995
  314   1HB   ASP  41          2HB       ASP  41  16.912  -2.276  -3.984
  315   2HB   ASP  41          1HB       ASP  41  17.008  -3.868  -3.227
  316    H    LYS  42           H        LYS  42  15.833  -5.425  -3.016
  317    HA   LYS  42           HA       LYS  42  15.434  -7.815  -4.762
  318   1HB   LYS  42          2HB       LYS  42  17.412  -7.528  -2.479
  319   2HB   LYS  42          1HB       LYS  42  17.041  -9.046  -3.297
  320   1HG   LYS  42          2HG       LYS  42  17.741  -8.001  -5.458
  321   2HG   LYS  42          1HG       LYS  42  18.225  -6.559  -4.565
  322   1HD   LYS  42          2HD       LYS  42  20.047  -7.597  -3.600
  323   2HD   LYS  42          1HD       LYS  42  19.288  -9.190  -3.630
  324   1HE   LYS  42          2HE       LYS  42  19.724  -9.468  -5.955
  325   2HE   LYS  42          1HE       LYS  42  20.123  -7.763  -6.160
  326   1HZ   LYS  42          3HZ       LYS  42  21.764  -8.894  -4.166
  327   2HZ   LYS  42          2HZ       LYS  42  21.855  -9.848  -5.569
  328   3HZ   LYS  42          1HZ       LYS  42  22.217  -8.188  -5.641
  329    H    VAL  43           H        VAL  43  13.709  -6.147  -2.877
  330    HA   VAL  43           HA       VAL  43  12.928  -8.379  -1.042
  331    HB   VAL  43           HB       VAL  43  12.109  -5.531  -0.559
  332   1HG1  VAL  43          1HG1      VAL  43  12.785  -7.877   1.243
  333   2HG1  VAL  43          3HG1      VAL  43  12.187  -6.310   1.785
  334   3HG1  VAL  43          2HG1      VAL  43  11.158  -7.354   0.805
  335   1HG2  VAL  43          3HG2      VAL  43  14.583  -5.542  -0.966
  336   2HG2  VAL  43          2HG2      VAL  43  14.159  -5.122   0.694
  337   3HG2  VAL  43          1HG2      VAL  43  14.750  -6.741   0.317
  338    H    VAL  44           H        VAL  44  10.549  -8.487  -0.624
  339    HA   VAL  44           HA       VAL  44   8.913  -7.309  -2.819
  340    HB   VAL  44           HB       VAL  44   8.630 -10.192  -1.947
  341   1HG1  VAL  44          2HG1      VAL  44   7.057  -8.424  -3.499
  342   2HG1  VAL  44          1HG1      VAL  44   7.816  -9.537  -4.637
  343   3HG1  VAL  44          3HG1      VAL  44   6.839 -10.164  -3.311
  344   1HG2  VAL  44          1HG2      VAL  44  10.612  -8.948  -3.710
  345   2HG2  VAL  44          3HG2      VAL  44  10.559 -10.590  -3.069
  346   3HG2  VAL  44          2HG2      VAL  44   9.658 -10.185  -4.531
  347    H    MET  45           H        MET  45   7.108  -6.376  -1.983
  348    HA   MET  45           HA       MET  45   6.137  -7.364   0.670
  349   1HB   MET  45          2HB       MET  45   6.632  -4.586  -0.335
  350   2HB   MET  45          1HB       MET  45   5.291  -4.849   0.780
  351   1HG   MET  45          2HG       MET  45   7.273  -6.289   1.993
  352   2HG   MET  45          1HG       MET  45   8.200  -4.973   1.272
  353   1HE   MET  45          1HE       MET  45   8.816  -4.709   3.800
  354   2HE   MET  45          3HE       MET  45   7.750  -4.044   5.046
  355   3HE   MET  45          2HE       MET  45   7.555  -5.711   4.512
  356    H    GLU  46           H        GLU  46   3.775  -6.036   0.868
  357    HA   GLU  46           HA       GLU  46   2.313  -6.536  -1.679
  358   1HB   GLU  46          2HB       GLU  46   0.497  -7.637  -0.270
  359   2HB   GLU  46          1HB       GLU  46   1.973  -8.581  -0.474
  360   1HG   GLU  46          2HG       GLU  46   2.243  -6.836   1.807
  361   2HG   GLU  46          1HG       GLU  46   0.771  -7.793   1.961
  362    H    VAL  47           H        VAL  47   0.319  -5.339  -1.829
  363    HA   VAL  47           HA       VAL  47   0.047  -3.194   0.239
  364    HB   VAL  47           HB       VAL  47  -0.509  -2.936  -2.731
  365   1HG1  VAL  47          2HG1      VAL  47  -1.776  -1.485  -1.045
  366   2HG1  VAL  47          1HG1      VAL  47  -0.216  -0.765  -0.646
  367   3HG1  VAL  47          3HG1      VAL  47  -0.861  -0.620  -2.281
  368   1HG2  VAL  47          3HG2      VAL  47   1.924  -2.456  -1.063
  369   2HG2  VAL  47          2HG2      VAL  47   1.803  -2.977  -2.743
  370   3HG2  VAL  47          1HG2      VAL  47   1.556  -1.281  -2.326
  371    H    LEU  48           H        LEU  48  -1.800  -3.650   1.348
  372    HA   LEU  48           HA       LEU  48  -4.093  -4.833  -0.140
  373   1HB   LEU  48          2HB       LEU  48  -3.007  -5.201   2.501
  374   2HB   LEU  48          1HB       LEU  48  -4.675  -4.642   2.630
  375    HG   LEU  48           HG       LEU  48  -4.940  -6.460   0.635
  376   1HD1  LEU  48          1HD1      LEU  48  -2.613  -7.308   2.364
  377   2HD1  LEU  48          3HD1      LEU  48  -3.629  -8.490   1.539
  378   3HD1  LEU  48          2HD1      LEU  48  -2.722  -7.302   0.603
  379   1HD2  LEU  48          1HD2      LEU  48  -6.223  -6.269   2.787
  380   2HD2  LEU  48          3HD2      LEU  48  -5.878  -7.936   2.327
  381   3HD2  LEU  48          2HD2      LEU  48  -4.926  -7.155   3.589
  382    H    ALA  49           H        ALA  49  -6.291  -3.965   0.520
  383    HA   ALA  49           HA       ALA  49  -6.286  -1.065   0.253
  384   1HB   ALA  49          1HB       ALA  49  -8.402  -3.194   0.437
  385   2HB   ALA  49          3HB       ALA  49  -8.849  -1.498   0.624
  386   3HB   ALA  49          2HB       ALA  49  -8.087  -2.050  -0.868
  387    H    GLU  50           H        GLU  50  -6.916   0.452   1.828
  388    HA   GLU  50           HA       GLU  50  -6.945  -0.602   4.623
  389   1HB   GLU  50          2HB       GLU  50  -5.531   1.558   3.364
  390   2HB   GLU  50          1HB       GLU  50  -6.604   2.222   4.597
  391   1HG   GLU  50          2HG       GLU  50  -5.364  -0.166   5.614
  392   2HG   GLU  50          1HG       GLU  50  -4.116   0.917   4.995
  393    H    ALA  51           H        ALA  51  -9.115   0.199   2.376
  394    HA   ALA  51           HA       ALA  51 -11.220   0.723   4.248
  395   1HB   ALA  51          2HB       ALA  51 -10.122   3.094   2.719
  396   2HB   ALA  51          1HB       ALA  51 -11.748   3.066   3.400
  397   3HB   ALA  51          3HB       ALA  51 -10.345   2.946   4.462
  398    H    ASP  52           H        ASP  52 -12.934  -0.206   3.245
  399    HA   ASP  52           HA       ASP  52 -12.960  -1.014   0.541
  400   1HB   ASP  52          2HB       ASP  52 -14.550  -2.148   1.754
  401   2HB   ASP  52          1HB       ASP  52 -15.018  -0.732   2.688
  402    H    GLY  53           H        GLY  53 -14.688  -0.225  -1.069
  403   1HA   GLY  53          2HA       GLY  53 -16.000   2.035  -1.449
  404   2HA   GLY  53          1HA       GLY  53 -14.381   2.728  -1.310
  405    H    VAL  54           H        VAL  54 -14.028   3.385  -3.421
  406    HA   VAL  54           HA       VAL  54 -13.847   1.201  -5.436
  407    HB   VAL  54           HB       VAL  54 -15.286   3.845  -5.766
  408   1HG1  VAL  54          2HG1      VAL  54 -13.714   2.347  -7.692
  409   2HG1  VAL  54          1HG1      VAL  54 -15.412   2.390  -8.169
  410   3HG1  VAL  54          3HG1      VAL  54 -14.536   3.895  -7.892
  411   1HG2  VAL  54          3HG2      VAL  54 -16.022   1.004  -5.532
  412   2HG2  VAL  54          2HG2      VAL  54 -17.005   2.444  -5.268
  413   3HG2  VAL  54          1HG2      VAL  54 -16.776   1.821  -6.902
  414    H    ILE  55           H        ILE  55 -11.837   1.237  -6.301
  415    HA   ILE  55           HA       ILE  55  -9.943   3.310  -5.717
  416    HB   ILE  55           HB       ILE  55  -9.803   1.258  -7.945
  417   1HG1  ILE  55          2HG1      ILE  55 -10.340   0.364  -5.607
  418   2HG1  ILE  55          1HG1      ILE  55  -8.880  -0.275  -6.361
  419   1HG2  ILE  55          1HG2      ILE  55  -7.743   2.879  -6.430
  420   2HG2  ILE  55          3HG2      ILE  55  -7.326   1.475  -7.412
  421   3HG2  ILE  55          2HG2      ILE  55  -8.058   2.892  -8.164
  422   1HD1  ILE  55          3HD1      ILE  55  -8.842   2.110  -4.499
  423   2HD1  ILE  55          2HD1      ILE  55  -8.633   0.453  -3.929
  424   3HD1  ILE  55          1HD1      ILE  55  -7.470   1.151  -5.054
  425    H    ALA  56           H        ALA  56  -8.765   4.532  -7.516
  426    HA   ALA  56           HA       ALA  56 -10.813   5.725  -9.320
  427   1HB   ALA  56          1HB       ALA  56  -9.289   7.062  -7.633
  428   2HB   ALA  56          3HB       ALA  56  -8.077   6.892  -8.903
  429   3HB   ALA  56          2HB       ALA  56  -9.600   7.715  -9.242
  430    H    GLU  57           H        GLU  57  -7.276   5.164  -9.509
  431    HA   GLU  57           HA       GLU  57  -7.476   3.507 -11.858
  432   1HB   GLU  57          2HB       GLU  57  -7.617   6.347 -12.280
  433   2HB   GLU  57          1HB       GLU  57  -6.094   5.745 -12.935
  434   1HG   GLU  57          2HG       GLU  57  -7.518   3.866 -13.998
  435   2HG   GLU  57          1HG       GLU  57  -8.902   4.901 -13.645
  436    H    ILE  58           H        ILE  58  -5.307   2.943 -12.681
  437    HA   ILE  58           HA       ILE  58  -3.294   3.151 -10.529
  438    HB   ILE  58           HB       ILE  58  -3.221   1.605 -13.139
  439   1HG1  ILE  58          2HG1      ILE  58  -3.756   0.570 -10.340
  440   2HG1  ILE  58          1HG1      ILE  58  -5.047   0.987 -11.472
  441   1HG2  ILE  58          3HG2      ILE  58  -1.474   1.601 -10.666
  442   2HG2  ILE  58          2HG2      ILE  58  -1.453   0.303 -11.859
  443   3HG2  ILE  58          1HG2      ILE  58  -0.985   1.938 -12.326
  444   1HD1  ILE  58          1HD1      ILE  58  -2.849  -0.846 -12.376
  445   2HD1  ILE  58          3HD1      ILE  58  -4.143  -1.489 -11.363
  446   3HD1  ILE  58          2HD1      ILE  58  -4.524  -0.758 -12.922
  447    H    VAL  59           H        VAL  59  -1.547   4.495 -10.656
  448    HA   VAL  59           HA       VAL  59  -1.270   6.178 -13.068
  449    HB   VAL  59           HB       VAL  59   0.010   6.255 -10.325
  450   1HG1  VAL  59          3HG1      VAL  59   0.710   7.649 -12.870
  451   2HG1  VAL  59          2HG1      VAL  59   0.741   8.601 -11.386
  452   3HG1  VAL  59          1HG1      VAL  59   1.753   7.163 -11.533
  453   1HG2  VAL  59          2HG2      VAL  59  -2.402   7.277 -11.413
  454   2HG2  VAL  59          1HG2      VAL  59  -1.708   7.628  -9.831
  455   3HG2  VAL  59          3HG2      VAL  59  -1.319   8.654 -11.212
  456    H    LYS  60           H        LYS  60   0.570   3.763 -11.237
  457    HA   LYS  60           HA       LYS  60   2.590   3.771 -13.443
  458   1HB   LYS  60          2HB       LYS  60   2.992   4.019 -10.698
  459   2HB   LYS  60          1HB       LYS  60   3.356   2.324 -11.024
  460   1HG   LYS  60          2HG       LYS  60   5.370   2.986 -11.784
  461   2HG   LYS  60          1HG       LYS  60   4.535   3.741 -13.141
  462   1HD   LYS  60          2HD       LYS  60   4.142   5.611 -11.191
  463   2HD   LYS  60          1HD       LYS  60   5.726   4.981 -10.738
  464   1HE   LYS  60          2HE       LYS  60   6.522   5.358 -13.057
  465   2HE   LYS  60          1HE       LYS  60   4.948   6.036 -13.473
  466   1HZ   LYS  60          3HZ       LYS  60   6.361   7.135 -11.158
  467   2HZ   LYS  60          2HZ       LYS  60   6.919   7.556 -12.706
  468   3HZ   LYS  60          1HZ       LYS  60   5.319   7.903 -12.253
  469    H    ASN  61           H        ASN  61   2.924   1.855 -14.543
  470    HA   ASN  61           HA       ASN  61   0.965  -0.280 -14.132
  471   1HB   ASN  61          2HB       ASN  61   3.329  -0.154 -16.032
  472   2HB   ASN  61          1HB       ASN  61   1.989  -1.298 -16.112
  473   1HD2  ASN  61          2HD2      ASN  61  -0.136   1.893 -16.641
  474   2HD2  ASN  61          1HD2      ASN  61   0.118   0.997 -15.211
  475    H    GLU  62           H        GLU  62   1.578  -2.527 -13.740
  476    HA   GLU  62           HA       GLU  62   3.536  -2.790 -11.630
  477   1HB   GLU  62          2HB       GLU  62   3.051  -5.296 -11.994
  478   2HB   GLU  62          1HB       GLU  62   1.692  -4.280 -11.512
  479   1HG   GLU  62          2HG       GLU  62   0.587  -4.780 -13.406
  480   2HG   GLU  62          1HG       GLU  62   1.958  -4.244 -14.384
  481    H    GLY  63           H        GLY  63   5.606  -3.697 -11.722
  482   1HA   GLY  63          2HA       GLY  63   7.435  -4.845 -12.790
  483   2HA   GLY  63          1HA       GLY  63   6.594  -4.690 -14.336
  484    H    ASP  64           H        ASP  64   6.097  -1.746 -13.383
  485    HA   ASP  64           HA       ASP  64   8.482  -0.699 -14.740
  486   1HB   ASP  64          2HB       ASP  64   6.667   0.511 -15.467
  487   2HB   ASP  64          1HB       ASP  64   5.809   0.370 -13.934
  488    H    THR  65           H        THR  65   9.485   1.337 -13.717
  489    HA   THR  65           HA       THR  65  10.211   0.644 -10.919
  490    HB   THR  65           HB       THR  65  11.485   2.568 -12.890
  491    HG1  THR  65           HG1      THR  65  12.909   0.973 -13.225
  492   1HG2  THR  65          3HG2      THR  65  11.767   3.197 -10.484
  493   2HG2  THR  65          2HG2      THR  65  12.486   1.612 -10.195
  494   3HG2  THR  65          1HG2      THR  65  13.285   2.759 -11.269
  495    H    VAL  66           H        VAL  66   9.622   1.939  -9.220
  496    HA   VAL  66           HA       VAL  66   8.259   4.516  -9.897
  497    HB   VAL  66           HB       VAL  66   6.827   4.187  -7.987
  498   1HG1  VAL  66          1HG1      VAL  66   6.300   2.909 -10.089
  499   2HG1  VAL  66          3HG1      VAL  66   7.105   1.510  -9.383
  500   3HG1  VAL  66          2HG1      VAL  66   5.652   2.164  -8.628
  501   1HG2  VAL  66          3HG2      VAL  66   8.871   2.104  -7.325
  502   2HG2  VAL  66          2HG2      VAL  66   8.070   3.264  -6.264
  503   3HG2  VAL  66          1HG2      VAL  66   7.209   1.823  -6.805
  504    H    LEU  67           H        LEU  67   8.132   5.286  -7.085
  505    HA   LEU  67           HA       LEU  67  10.958   5.461  -6.239
  506   1HB   LEU  67          2HB       LEU  67   9.332   7.769  -7.268
  507   2HB   LEU  67          1HB       LEU  67  10.528   8.043  -6.002
  508    HG   LEU  67           HG       LEU  67  12.020   6.553  -7.675
  509   1HD1  LEU  67          1HD1      LEU  67   9.729   6.886  -9.174
  510   2HD1  LEU  67          3HD1      LEU  67  10.757   8.194  -9.762
  511   3HD1  LEU  67          2HD1      LEU  67  11.325   6.526  -9.833
  512   1HD2  LEU  67          1HD2      LEU  67  12.180   9.036  -6.768
  513   2HD2  LEU  67          3HD2      LEU  67  13.148   8.533  -8.154
  514   3HD2  LEU  67          2HD2      LEU  67  11.658   9.443  -8.402
  515    H    SER  68           H        SER  68  10.976   6.945  -4.138
  516    HA   SER  68           HA       SER  68   9.152   5.718  -2.269
  517   1HB   SER  68          2HB       SER  68  11.106   6.290  -1.186
  518   2HB   SER  68          1HB       SER  68  11.330   7.752  -2.142
  519    HG   SER  68           HG       SER  68  10.686   8.050   0.115
  520    H    GLY  69           H        GLY  69   7.013   6.259  -2.321
  521   1HA   GLY  69          2HA       GLY  69   5.243   7.779  -1.713
  522   2HA   GLY  69          1HA       GLY  69   6.318   9.131  -2.070
  523    H    GLU  70           H        GLU  70   6.205   6.536  -4.358
  524    HA   GLU  70           HA       GLU  70   5.260   8.328  -6.438
  525   1HB   GLU  70          2HB       GLU  70   6.822   6.625  -7.085
  526   2HB   GLU  70          1HB       GLU  70   5.825   5.354  -6.375
  527   1HG   GLU  70          2HG       GLU  70   5.656   5.560  -8.900
  528   2HG   GLU  70          1HG       GLU  70   4.118   5.647  -8.040
  529    H    LEU  71           H        LEU  71   3.151   8.792  -6.808
  530    HA   LEU  71           HA       LEU  71   1.000   7.484  -5.437
  531   1HB   LEU  71          2HB       LEU  71   0.726   9.767  -6.199
  532   2HB   LEU  71          1HB       LEU  71   1.014   9.289  -7.872
  533    HG   LEU  71           HG       LEU  71  -1.010   7.750  -7.640
  534   1HD1  LEU  71          2HD1      LEU  71  -1.024   7.818  -5.137
  535   2HD1  LEU  71          1HD1      LEU  71  -1.516   9.510  -5.223
  536   3HD1  LEU  71          3HD1      LEU  71  -2.580   8.250  -5.847
  537   1HD2  LEU  71          3HD2      LEU  71  -0.792  10.387  -8.396
  538   2HD2  LEU  71          2HD2      LEU  71  -2.242   9.405  -8.602
  539   3HD2  LEU  71          1HD2      LEU  71  -2.084  10.460  -7.198
  540    H    LEU  72           H        LEU  72   0.456   5.391  -5.846
  541    HA   LEU  72           HA       LEU  72   0.760   4.330  -8.600
  542   1HB   LEU  72          2HB       LEU  72  -0.144   2.788  -6.162
  543   2HB   LEU  72          1HB       LEU  72   0.597   2.162  -7.636
  544    HG   LEU  72           HG       LEU  72   2.068   4.131  -5.892
  545   1HD1  LEU  72          3HD1      LEU  72   1.209   1.984  -4.664
  546   2HD1  LEU  72          2HD1      LEU  72   2.434   1.156  -5.625
  547   3HD1  LEU  72          1HD1      LEU  72   2.907   2.436  -4.508
  548   1HD2  LEU  72          1HD2      LEU  72   2.608   3.067  -8.356
  549   2HD2  LEU  72          3HD2      LEU  72   3.847   3.621  -7.228
  550   3HD2  LEU  72          2HD2      LEU  72   3.423   1.911  -7.303
  551    H    GLY  73           H        GLY  73  -1.626   5.702  -6.621
  552   1HA   GLY  73          2HA       GLY  73  -3.695   5.633  -8.484
  553   2HA   GLY  73          1HA       GLY  73  -3.903   4.157  -7.535
  554    H    LYS  74           H        LYS  74  -5.836   6.196  -7.484
  555    HA   LYS  74           HA       LYS  74  -5.497   7.222  -4.694
  556   1HB   LYS  74          2HB       LYS  74  -6.480   8.584  -7.172
  557   2HB   LYS  74          1HB       LYS  74  -7.226   9.012  -5.632
  558   1HG   LYS  74          2HG       LYS  74  -4.659   9.107  -4.866
  559   2HG   LYS  74          1HG       LYS  74  -4.437   9.470  -6.577
  560   1HD   LYS  74          2HD       LYS  74  -6.253  11.230  -6.325
  561   2HD   LYS  74          1HD       LYS  74  -6.148  10.972  -4.583
  562   1HE   LYS  74          2HE       LYS  74  -3.604  11.371  -4.887
  563   2HE   LYS  74          1HE       LYS  74  -4.046  12.063  -6.448
  564   1HZ   LYS  74          1HZ       LYS  74  -5.693  13.449  -5.146
  565   2HZ   LYS  74          3HZ       LYS  74  -4.859  12.964  -3.752
  566   3HZ   LYS  74          2HZ       LYS  74  -4.052  13.845  -4.960
  567    H    LEU  75           H        LEU  75  -7.323   7.020  -3.353
  568    HA   LEU  75           HA       LEU  75  -9.353   5.101  -4.315
  569   1HB   LEU  75          2HB       LEU  75  -8.210   4.875  -2.066
  570   2HB   LEU  75          1HB       LEU  75  -9.082   6.320  -1.554
  571    HG   LEU  75           HG       LEU  75 -11.200   5.045  -2.388
  572   1HD1  LEU  75          2HD1      LEU  75  -9.179   3.142  -2.953
  573   2HD1  LEU  75          1HD1      LEU  75 -10.095   2.506  -1.587
  574   3HD1  LEU  75          3HD1      LEU  75 -10.923   2.924  -3.087
  575   1HD2  LEU  75          1HD2      LEU  75 -10.565   5.585  -0.002
  576   2HD2  LEU  75          3HD2      LEU  75 -11.507   4.105  -0.179
  577   3HD2  LEU  75          2HD2      LEU  75  -9.764   4.016   0.078
  578    H    THR  76           H        THR  76 -11.642   5.553  -4.136
  579    HA   THR  76           HA       THR  76 -12.247   8.481  -4.220
  580    HB   THR  76           HB       THR  76 -13.889   6.265  -5.468
  581    HG1  THR  76           HG1      THR  76 -11.911   7.920  -6.647
  582   1HG2  THR  76          3HG2      THR  76 -13.857   9.271  -5.571
  583   2HG2  THR  76          2HG2      THR  76 -14.520   8.342  -6.915
  584   3HG2  THR  76          1HG2      THR  76 -15.222   8.187  -5.304
  585    H    GLU  77           H        GLU  77 -14.659   8.882  -3.608
  586    HA   GLU  77           HA       GLU  77 -15.065   7.708  -0.951
  587   1HB   GLU  77          2HB       GLU  77 -16.551   9.806  -2.551
  588   2HB   GLU  77          1HB       GLU  77 -17.089   9.258  -0.963
  589   1HG   GLU  77          2HG       GLU  77 -15.751  10.957  -0.225
  590   2HG   GLU  77          1HG       GLU  77 -14.477   9.754  -0.429
  591    H    GLY  78           H        GLY  78 -16.911   6.470  -0.339
  592   1HA   GLY  78          2HA       GLY  78 -18.324   5.196  -2.649
  593   2HA   GLY  78          1HA       GLY  78 -17.950   4.351  -1.146
  594    H    GLY  79           HN       GLY  79 -20.440   5.755  -2.772
  595   1HA   GLY  79          2HA       GLY  79 -22.606   6.372  -2.113
  596   2HA   GLY  79          1HA       GLY  79 -22.234   5.653  -0.545
   
  No H/Q in entry =         596
  Start of MODEL    3
    1   1H    ALA   1          3H        ALA   1 -10.659   6.485   2.644
    2   2H    ALA   1          2H        ALA   1 -11.636   7.872   2.558
    3   3H    ALA   1          1H        ALA   1 -11.761   6.668   1.367
    4    HA   ALA   1           HA       ALA   1 -10.236   7.674   0.146
    5   1HB   ALA   1          3HB       ALA   1 -10.160   9.536   2.532
    6   2HB   ALA   1          2HB       ALA   1  -9.234   9.834   1.060
    7   3HB   ALA   1          1HB       ALA   1 -10.996   9.780   0.999
    8    H    ILE   2           H        ILE   2  -8.344   6.642  -0.249
    9    HA   ILE   2           HA       ILE   2  -6.204   6.740   1.797
   10    HB   ILE   2           HB       ILE   2  -5.782   4.327   1.634
   11   1HG1  ILE   2          2HG1      ILE   2  -8.109   3.272   0.524
   12   2HG1  ILE   2          1HG1      ILE   2  -7.692   4.597  -0.563
   13   1HG2  ILE   2          3HG2      ILE   2  -8.624   5.099   2.348
   14   2HG2  ILE   2          2HG2      ILE   2  -7.914   3.532   2.735
   15   3HG2  ILE   2          1HG2      ILE   2  -7.240   5.003   3.436
   16   1HD1  ILE   2          3HD1      ILE   2  -5.408   2.928   0.294
   17   2HD1  ILE   2          2HD1      ILE   2  -6.593   2.104  -0.717
   18   3HD1  ILE   2          1HD1      ILE   2  -5.800   3.566  -1.302
   19    H    ASP   3           H        ASP   3  -4.335   7.281   0.779
   20    HA   ASP   3           HA       ASP   3  -4.235   7.139  -2.170
   21   1HB   ASP   3          2HB       ASP   3  -3.507   9.204  -0.985
   22   2HB   ASP   3          1HB       ASP   3  -2.222   8.275  -0.202
   23    H    ILE   4           H        ILE   4  -3.124   5.570  -3.244
   24    HA   ILE   4           HA       ILE   4  -1.558   3.635  -1.621
   25    HB   ILE   4           HB       ILE   4  -2.555   3.498  -4.485
   26   1HG1  ILE   4          2HG1      ILE   4  -3.456   2.022  -1.990
   27   2HG1  ILE   4          1HG1      ILE   4  -4.308   3.393  -2.701
   28   1HG2  ILE   4          3HG2      ILE   4  -1.037   1.539  -2.747
   29   2HG2  ILE   4          2HG2      ILE   4  -1.930   1.046  -4.186
   30   3HG2  ILE   4          1HG2      ILE   4  -0.572   2.162  -4.330
   31   1HD1  ILE   4          1HD1      ILE   4  -4.182   1.937  -4.900
   32   2HD1  ILE   4          3HD1      ILE   4  -3.989   0.605  -3.760
   33   3HD1  ILE   4          2HD1      ILE   4  -5.432   1.618  -3.698
   34    H    LYS   5           H        LYS   5   0.205   5.305  -1.445
   35    HA   LYS   5           HA       LYS   5   1.773   5.594  -3.964
   36   1HB   LYS   5          2HB       LYS   5   3.044   7.320  -2.709
   37   2HB   LYS   5          1HB       LYS   5   1.319   7.685  -2.758
   38   1HG   LYS   5          2HG       LYS   5   1.895   6.007  -0.482
   39   2HG   LYS   5          1HG       LYS   5   2.945   7.424  -0.460
   40   1HD   LYS   5          2HD       LYS   5   0.939   8.870  -0.798
   41   2HD   LYS   5          1HD       LYS   5  -0.079   7.433  -0.692
   42   1HE   LYS   5          2HE       LYS   5   0.181   7.254   1.567
   43   2HE   LYS   5          1HE       LYS   5   1.866   7.772   1.515
   44   1HZ   LYS   5          1HZ       LYS   5  -0.441   9.595   1.115
   45   2HZ   LYS   5          3HZ       LYS   5   0.344   9.377   2.602
   46   3HZ   LYS   5          2HZ       LYS   5   1.194  10.029   1.284
   47    H    ALA   6           H        ALA   6   4.154   5.262  -3.767
   48    HA   ALA   6           HA       ALA   6   4.724   2.763  -2.401
   49   1HB   ALA   6          2HB       ALA   6   5.768   3.995  -4.601
   50   2HB   ALA   6          1HB       ALA   6   7.002   4.367  -3.397
   51   3HB   ALA   6          3HB       ALA   6   6.575   2.689  -3.732
   52    HA   PRO   7           HA       PRO   7   6.443   4.324   1.321
   53   1HB   PRO   7          2HB       PRO   7   8.421   2.469   1.778
   54   2HB   PRO   7          1HB       PRO   7   6.694   2.133   1.994
   55   1HG   PRO   7          2HG       PRO   7   8.517   1.247  -0.193
   56   2HG   PRO   7          1HG       PRO   7   7.040   0.482   0.415
   57   1HD   PRO   7          2HD       PRO   7   7.258   2.022  -1.952
   58   2HD   PRO   7          1HD       PRO   7   5.743   1.531  -1.159
   59    H    THR   8           H        THR   8   8.788   4.744   2.350
   60    HA   THR   8           HA       THR   8  10.270   6.318   0.321
   61    HB   THR   8           HB       THR   8  10.898   6.245   3.269
   62    HG1  THR   8           HG1      THR   8   9.247   7.574   3.665
   63   1HG2  THR   8          3HG2      THR   8  11.805   7.699   0.998
   64   2HG2  THR   8          2HG2      THR   8  10.920   8.827   2.025
   65   3HG2  THR   8          1HG2      THR   8  12.278   7.916   2.683
   66    H    PHE   9           H        PHE   9  11.759   5.074  -0.744
   67    HA   PHE   9           HA       PHE   9  13.010   2.737   0.311
   68   1HB   PHE   9          2HB       PHE   9  13.994   4.618  -1.860
   69   2HB   PHE   9          1HB       PHE   9  14.594   2.981  -1.575
   70    HD1  PHE   9           HD2      PHE   9  12.823   1.068  -1.582
   71    HD2  PHE   9           HD1      PHE   9  12.157   4.958  -3.282
   72    HE1  PHE   9           HE2      PHE   9  10.978   0.149  -2.962
   73    HE2  PHE   9           HE1      PHE   9  10.311   4.039  -4.662
   74    HZ   PHE   9           HZ       PHE   9   9.722   1.634  -4.503
   75    HA   PRO  10           HA       PRO  10  16.199   4.392   2.830
   76   1HB   PRO  10          2HB       PRO  10  18.072   2.398   2.556
   77   2HB   PRO  10          1HB       PRO  10  16.597   2.229   3.524
   78   1HG   PRO  10          2HG       PRO  10  17.234   1.063   0.853
   79   2HG   PRO  10          1HG       PRO  10  16.129   0.467   2.105
   80   1HD   PRO  10          2HD       PRO  10  15.378   1.844  -0.253
   81   2HD   PRO  10          1HD       PRO  10  14.336   1.536   1.156
   82    H    GLU  11           H        GLU  11  18.963   4.143   2.527
   83    HA   GLU  11           HA       GLU  11  19.462   6.037   0.352
   84   1HB   GLU  11          2HB       GLU  11  20.831   5.140   2.768
   85   2HB   GLU  11          1HB       GLU  11  21.932   5.260   1.394
   86   1HG   GLU  11          2HG       GLU  11  21.778   7.408   2.615
   87   2HG   GLU  11          1HG       GLU  11  21.168   7.560   0.967
   88    H    SER  12           H        SER  12  20.914   2.874   1.221
   89    HA   SER  12           HA       SER  12  22.416   2.372  -1.028
   90   1HB   SER  12          2HB       SER  12  22.286   0.763   0.800
   91   2HB   SER  12          1HB       SER  12  20.597   0.421   0.415
   92    HG   SER  12           HG       SER  12  21.294  -0.939  -1.015
   93    H    ILE  13           H        ILE  13  18.907   2.340  -0.794
   94    HA   ILE  13           HA       ILE  13  18.787   1.663  -3.706
   95    HB   ILE  13           HB       ILE  13  16.530   1.455  -1.696
   96   1HG1  ILE  13          2HG1      ILE  13  18.446  -0.682  -2.686
   97   2HG1  ILE  13          1HG1      ILE  13  18.351  -0.060  -1.038
   98   1HG2  ILE  13          1HG2      ILE  13  16.842   1.057  -4.582
   99   2HG2  ILE  13          3HG2      ILE  13  16.157  -0.350  -3.769
  100   3HG2  ILE  13          2HG2      ILE  13  15.369   1.221  -3.625
  101   1HD1  ILE  13          1HD1      ILE  13  15.752  -0.757  -1.458
  102   2HD1  ILE  13          3HD1      ILE  13  16.575  -1.969  -2.440
  103   3HD1  ILE  13          2HD1      ILE  13  16.944  -1.827  -0.721
  104    H    ALA  14           H        ALA  14  17.695   3.086  -5.070
  105    HA   ALA  14           HA       ALA  14  16.549   5.532  -3.784
  106   1HB   ALA  14          2HB       ALA  14  18.597   5.251  -5.933
  107   2HB   ALA  14          1HB       ALA  14  17.405   6.537  -6.125
  108   3HB   ALA  14          3HB       ALA  14  18.434   6.495  -4.693
  109    H    ASP  15           H        ASP  15  15.217   3.080  -4.771
  110    HA   ASP  15           HA       ASP  15  13.001   4.220  -6.092
  111   1HB   ASP  15          2HB       ASP  15  13.487   2.981  -8.376
  112   2HB   ASP  15          1HB       ASP  15  14.111   4.609  -8.101
  113    H    GLY  16           H        GLY  16  11.942   2.186  -7.541
  114   1HA   GLY  16          2HA       GLY  16  12.475  -0.392  -6.242
  115   2HA   GLY  16          1HA       GLY  16  10.927   0.338  -5.812
  116    H    THR  17           H        THR  17  10.079  -1.667  -6.913
  117    HA   THR  17           HA       THR  17   9.513  -1.031  -9.741
  118    HB   THR  17           HB       THR  17  10.716  -3.676  -8.868
  119    HG1  THR  17           HG1      THR  17  12.354  -3.036 -10.314
  120   1HG2  THR  17          3HG2      THR  17   9.186  -2.812 -11.263
  121   2HG2  THR  17          2HG2      THR  17  10.625  -3.786 -11.563
  122   3HG2  THR  17          1HG2      THR  17   9.334  -4.413 -10.539
  123    H    VAL  18           H        VAL  18   7.337  -1.216  -9.927
  124    HA   VAL  18           HA       VAL  18   5.542  -2.107  -8.021
  125    HB   VAL  18           HB       VAL  18   5.230  -2.449 -11.020
  126   1HG1  VAL  18          2HG1      VAL  18   3.188  -2.219  -8.787
  127   2HG1  VAL  18          1HG1      VAL  18   2.812  -2.268 -10.509
  128   3HG1  VAL  18          3HG1      VAL  18   3.534  -3.672  -9.724
  129   1HG2  VAL  18          2HG2      VAL  18   5.362  -0.113  -9.277
  130   2HG2  VAL  18          1HG2      VAL  18   5.344  -0.190 -11.039
  131   3HG2  VAL  18          3HG2      VAL  18   3.826  -0.198 -10.140
  132    H    ALA  19           H        ALA  19   4.208  -4.132  -7.966
  133    HA   ALA  19           HA       ALA  19   5.943  -6.496  -8.535
  134   1HB   ALA  19          2HB       ALA  19   5.310  -6.067  -6.144
  135   2HB   ALA  19          1HB       ALA  19   3.619  -6.292  -6.596
  136   3HB   ALA  19          3HB       ALA  19   4.758  -7.631  -6.744
  137    H    THR  20           H        THR  20   2.420  -6.192  -8.021
  138    HA   THR  20           HA       THR  20   1.848  -6.932 -10.793
  139    HB   THR  20           HB       THR  20   1.422  -8.904  -8.533
  140    HG1  THR  20           HG1      THR  20   2.532  -9.484 -11.028
  141   1HG2  THR  20          1HG2      THR  20  -0.594  -8.678  -9.992
  142   2HG2  THR  20          3HG2      THR  20   0.416  -9.059 -11.387
  143   3HG2  THR  20          2HG2      THR  20   0.173 -10.261 -10.120
  144    H    TRP  21           H        TRP  21  -0.139  -6.100 -11.311
  145    HA   TRP  21           HA       TRP  21  -1.764  -4.957  -9.140
  146   1HB   TRP  21          2HB       TRP  21  -1.540  -4.639 -12.098
  147   2HB   TRP  21          1HB       TRP  21  -3.099  -4.287 -11.357
  148    HD1  TRP  21           HD1      TRP  21   0.419  -2.982 -11.687
  149    HE1  TRP  21           HE1      TRP  21   0.601  -0.695 -10.497
  150    HE3  TRP  21           HE3      TRP  21  -4.087  -2.856  -9.277
  151    HZ2  TRP  21           HZ2      TRP  21  -0.928   0.946  -8.782
  152    HZ3  TRP  21           HZ3      TRP  21  -4.699  -0.909  -7.866
  153    HH2  TRP  21           HH2      TRP  21  -3.125   0.995  -7.614
  154    H    HIS  22           H        HIS  22  -2.576  -6.972  -8.268
  155    HA   HIS  22           HA       HIS  22  -3.774  -9.114  -9.551
  156   1HB   HIS  22          2HB       HIS  22  -5.337  -7.906  -7.292
  157   2HB   HIS  22          1HB       HIS  22  -4.913  -9.596  -7.583
  158    HD1  HIS  22           HD1      HIS  22  -3.448  -6.352  -6.346
  159    HD2  HIS  22           HD2      HIS  22  -2.430 -10.389  -6.494
  160    HE1  HIS  22           HE1      HIS  22  -1.311  -6.596  -5.038
  161    H    LYS  23           H        LYS  23  -5.832  -6.419  -8.396
  162    HA   LYS  23           HA       LYS  23  -7.614  -6.962 -10.725
  163   1HB   LYS  23          2HB       LYS  23  -8.095  -6.417  -7.949
  164   2HB   LYS  23          1HB       LYS  23  -8.807  -5.121  -8.911
  165   1HG   LYS  23          2HG       LYS  23 -10.454  -6.473  -9.645
  166   2HG   LYS  23          1HG       LYS  23  -9.293  -7.707 -10.139
  167   1HD   LYS  23          2HD       LYS  23  -9.560  -7.529  -7.232
  168   2HD   LYS  23          1HD       LYS  23 -11.085  -7.922  -8.026
  169   1HE   LYS  23          2HE       LYS  23  -8.967  -9.419  -9.267
  170   2HE   LYS  23          1HE       LYS  23  -8.901  -9.662  -7.521
  171   1HZ   LYS  23          3HZ       LYS  23 -11.442  -9.953  -7.768
  172   2HZ   LYS  23          2HZ       LYS  23 -11.085 -10.265  -9.399
  173   3HZ   LYS  23          1HZ       LYS  23 -10.416 -11.241  -8.179
  174    H    LYS  24           H        LYS  24  -8.926  -4.661 -11.092
  175    HA   LYS  24           HA       LYS  24  -6.771  -2.668 -11.677
  176   1HB   LYS  24          2HB       LYS  24  -9.327  -2.672 -13.227
  177   2HB   LYS  24          1HB       LYS  24  -7.699  -2.256 -13.755
  178   1HG   LYS  24          2HG       LYS  24  -7.370  -4.895 -13.163
  179   2HG   LYS  24          1HG       LYS  24  -9.047  -4.887 -13.711
  180   1HD   LYS  24          2HD       LYS  24  -8.372  -4.719 -15.847
  181   2HD   LYS  24          1HD       LYS  24  -7.506  -3.230 -15.470
  182   1HE   LYS  24          2HE       LYS  24  -5.491  -4.326 -15.122
  183   2HE   LYS  24          1HE       LYS  24  -6.274  -5.842 -14.677
  184   1HZ   LYS  24          3HZ       LYS  24  -7.040  -5.954 -17.051
  185   2HZ   LYS  24          2HZ       LYS  24  -5.967  -4.678 -17.383
  186   3HZ   LYS  24          1HZ       LYS  24  -5.374  -6.164 -16.811
  187    HA   PRO  25           HA       PRO  25  -9.094   0.322  -9.464
  188   1HB   PRO  25          2HB       PRO  25  -8.646   2.577 -10.972
  189   2HB   PRO  25          1HB       PRO  25  -7.421   1.838  -9.927
  190   1HG   PRO  25          2HG       PRO  25  -7.641   1.769 -12.902
  191   2HG   PRO  25          1HG       PRO  25  -6.200   1.638 -11.879
  192   1HD   PRO  25          2HD       PRO  25  -7.525  -0.514 -13.141
  193   2HD   PRO  25          1HD       PRO  25  -6.318  -0.653 -11.846
  194    H    GLY  26           H        GLY  26 -11.168   1.276  -9.418
  195   1HA   GLY  26          2HA       GLY  26 -13.120   2.270 -10.466
  196   2HA   GLY  26          1HA       GLY  26 -12.627   1.540 -11.999
  197    H    GLU  27           H        GLU  27 -12.063  -0.902  -9.995
  198    HA   GLU  27           HA       GLU  27 -14.727  -2.098 -10.502
  199   1HB   GLU  27          2HB       GLU  27 -13.674  -4.219 -10.152
  200   2HB   GLU  27          1HB       GLU  27 -12.537  -3.266 -11.106
  201   1HG   GLU  27          2HG       GLU  27 -10.983  -3.554  -9.508
  202   2HG   GLU  27          1HG       GLU  27 -12.018  -2.691  -8.370
  203    H    ALA  28           H        ALA  28 -15.355  -3.733  -8.614
  204    HA   ALA  28           HA       ALA  28 -15.549  -2.063  -6.179
  205   1HB   ALA  28          3HB       ALA  28 -17.553  -3.229  -7.224
  206   2HB   ALA  28          2HB       ALA  28 -16.841  -4.753  -6.697
  207   3HB   ALA  28          1HB       ALA  28 -17.316  -3.545  -5.505
  208    H    VAL  29           H        VAL  29 -15.100  -3.034  -4.051
  209    HA   VAL  29           HA       VAL  29 -13.253  -5.369  -4.129
  210    HB   VAL  29           HB       VAL  29 -11.698  -4.177  -2.599
  211   1HG1  VAL  29          1HG1      VAL  29 -11.609  -4.120  -5.209
  212   2HG1  VAL  29          3HG1      VAL  29 -12.087  -2.433  -5.022
  213   3HG1  VAL  29          2HG1      VAL  29 -10.583  -3.008  -4.302
  214   1HG2  VAL  29          1HG2      VAL  29 -13.854  -2.431  -2.294
  215   2HG2  VAL  29          3HG2      VAL  29 -12.222  -2.180  -1.675
  216   3HG2  VAL  29          2HG2      VAL  29 -12.687  -1.504  -3.237
  217    H    LYS  30           H        LYS  30 -12.582  -5.448  -1.453
  218    HA   LYS  30           HA       LYS  30 -15.140  -5.285   0.051
  219   1HB   LYS  30          2HB       LYS  30 -14.604  -7.629  -1.069
  220   2HB   LYS  30          1HB       LYS  30 -13.511  -7.787   0.307
  221   1HG   LYS  30          2HG       LYS  30 -15.530  -8.695   1.112
  222   2HG   LYS  30          1HG       LYS  30 -15.547  -7.045   1.735
  223   1HD   LYS  30          2HD       LYS  30 -17.275  -6.410   0.385
  224   2HD   LYS  30          1HD       LYS  30 -16.712  -7.395  -0.966
  225   1HE   LYS  30          2HE       LYS  30 -17.893  -8.639   1.519
  226   2HE   LYS  30          1HE       LYS  30 -18.903  -8.128   0.166
  227   1HZ   LYS  30          1HZ       LYS  30 -16.922  -9.508  -1.043
  228   2HZ   LYS  30          3HZ       LYS  30 -17.139 -10.390   0.389
  229   3HZ   LYS  30          2HZ       LYS  30 -18.453 -10.135  -0.657
  230    H    ARG  31           H        ARG  31 -14.820  -4.858   2.236
  231    HA   ARG  31           HA       ARG  31 -12.570  -3.588   3.182
  232   1HB   ARG  31          2HB       ARG  31 -14.363  -5.430   4.792
  233   2HB   ARG  31          1HB       ARG  31 -13.303  -4.190   5.465
  234   1HG   ARG  31          2HG       ARG  31 -14.604  -2.439   4.647
  235   2HG   ARG  31          1HG       ARG  31 -15.302  -3.424   3.362
  236   1HD   ARG  31          2HD       ARG  31 -17.063  -3.910   4.671
  237   2HD   ARG  31          1HD       ARG  31 -15.984  -4.614   5.875
  238    HE   ARG  31           HE       ARG  31 -17.322  -2.124   6.170
  239   1HH1  ARG  31          1HH2      ARG  31 -14.771  -4.014   7.298
  240   2HH1  ARG  31          2HH2      ARG  31 -13.992  -2.742   8.178
  241   1HH2  ARG  31          2HH1      ARG  31 -16.078  -0.259   6.951
  242   2HH2  ARG  31          1HH1      ARG  31 -14.732  -0.616   7.982
  243    H    ASP  32           H        ASP  32 -10.489  -4.222   3.465
  244    HA   ASP  32           HA       ASP  32  -8.669  -5.600   4.065
  245   1HB   ASP  32          2HB       ASP  32 -10.465  -6.543   5.724
  246   2HB   ASP  32          1HB       ASP  32 -10.557  -7.884   4.581
  247    H    GLU  33           H        GLU  33  -9.037  -5.302   1.463
  248    HA   GLU  33           HA       GLU  33  -8.732  -8.065   0.367
  249   1HB   GLU  33          2HB       GLU  33 -10.948  -7.130  -0.273
  250   2HB   GLU  33          1HB       GLU  33 -10.131  -5.752  -1.012
  251   1HG   GLU  33          2HG       GLU  33  -9.693  -6.929  -2.881
  252   2HG   GLU  33          1HG       GLU  33  -8.973  -8.239  -1.945
  253    H    LEU  34           H        LEU  34  -6.725  -8.266  -0.489
  254    HA   LEU  34           HA       LEU  34  -4.751  -6.358  -0.660
  255   1HB   LEU  34          2HB       LEU  34  -4.403  -8.774  -1.119
  256   2HB   LEU  34          1HB       LEU  34  -5.186  -8.571  -2.686
  257    HG   LEU  34           HG       LEU  34  -3.463  -6.941  -3.349
  258   1HD1  LEU  34          1HD1      LEU  34  -2.292  -7.570  -0.622
  259   2HD1  LEU  34          3HD1      LEU  34  -1.479  -6.634  -1.876
  260   3HD1  LEU  34          2HD1      LEU  34  -2.957  -6.021  -1.137
  261   1HD2  LEU  34          2HD2      LEU  34  -2.511  -9.617  -2.304
  262   2HD2  LEU  34          1HD2      LEU  34  -2.959  -9.198  -3.957
  263   3HD2  LEU  34          3HD2      LEU  34  -1.475  -8.554  -3.256
  264    H    ILE  35           H        ILE  35  -3.838  -5.207  -2.585
  265    HA   ILE  35           HA       ILE  35  -5.859  -4.540  -4.661
  266    HB   ILE  35           HB       ILE  35  -4.382  -2.487  -2.982
  267   1HG1  ILE  35          2HG1      ILE  35  -7.356  -3.042  -3.216
  268   2HG1  ILE  35          1HG1      ILE  35  -6.350  -3.629  -1.893
  269   1HG2  ILE  35          1HG2      ILE  35  -5.938  -2.368  -5.527
  270   2HG2  ILE  35          3HG2      ILE  35  -6.179  -1.062  -4.366
  271   3HG2  ILE  35          2HG2      ILE  35  -4.567  -1.391  -5.002
  272   1HD1  ILE  35          3HD1      ILE  35  -5.933  -0.787  -2.352
  273   2HD1  ILE  35          2HD1      ILE  35  -7.630  -1.143  -2.026
  274   3HD1  ILE  35          1HD1      ILE  35  -6.389  -1.622  -0.867
  275    H    VAL  36           H        VAL  36  -2.527  -3.900  -3.519
  276    HA   VAL  36           HA       VAL  36  -1.522  -4.599  -6.202
  277    HB   VAL  36           HB       VAL  36  -2.064  -2.122  -6.236
  278   1HG1  VAL  36          2HG1      VAL  36   0.091  -2.147  -4.108
  279   2HG1  VAL  36          1HG1      VAL  36  -0.364  -0.697  -5.002
  280   3HG1  VAL  36          3HG1      VAL  36  -1.546  -1.505  -3.971
  281   1HG2  VAL  36          1HG2      VAL  36   0.670  -3.280  -6.671
  282   2HG2  VAL  36          3HG2      VAL  36  -0.498  -2.699  -7.858
  283   3HG2  VAL  36          2HG2      VAL  36   0.433  -1.547  -6.900
  284    H    ASP  37           H        ASP  37   0.754  -5.081  -6.165
  285    HA   ASP  37           HA       ASP  37   1.868  -5.319  -3.398
  286   1HB   ASP  37          2HB       ASP  37   1.957  -7.171  -5.768
  287   2HB   ASP  37          1HB       ASP  37   3.238  -7.229  -4.556
  288    H    ILE  38           H        ILE  38   4.144  -4.923  -3.171
  289    HA   ILE  38           HA       ILE  38   5.271  -3.287  -5.403
  290    HB   ILE  38           HB       ILE  38   6.369  -3.268  -2.606
  291   1HG1  ILE  38          2HG1      ILE  38   4.013  -2.962  -2.206
  292   2HG1  ILE  38          1HG1      ILE  38   4.752  -1.361  -2.161
  293   1HG2  ILE  38          3HG2      ILE  38   6.454  -1.611  -5.060
  294   2HG2  ILE  38          2HG2      ILE  38   6.344  -0.712  -3.547
  295   3HG2  ILE  38          1HG2      ILE  38   7.678  -1.835  -3.810
  296   1HD1  ILE  38          3HD1      ILE  38   4.118  -1.805  -4.863
  297   2HD1  ILE  38          2HD1      ILE  38   2.717  -2.376  -3.957
  298   3HD1  ILE  38          1HD1      ILE  38   3.287  -0.721  -3.747
  299    H    GLU  39           H        GLU  39   7.577  -3.554  -5.855
  300    HA   GLU  39           HA       GLU  39   8.734  -6.117  -4.859
  301   1HB   GLU  39          2HB       GLU  39   7.675  -5.796  -7.417
  302   2HB   GLU  39          1HB       GLU  39   9.409  -5.563  -7.646
  303   1HG   GLU  39          2HG       GLU  39   9.613  -7.691  -6.117
  304   2HG   GLU  39          1HG       GLU  39   7.945  -7.976  -6.619
  305    H    THR  40           H        THR  40  10.648  -5.598  -3.925
  306    HA   THR  40           HA       THR  40  12.209  -3.335  -5.108
  307    HB   THR  40           HB       THR  40  12.849  -4.220  -2.355
  308    HG1  THR  40           HG1      THR  40  11.034  -3.266  -1.488
  309   1HG2  THR  40          1HG2      THR  40  12.678  -1.708  -3.963
  310   2HG2  THR  40          3HG2      THR  40  12.536  -1.579  -2.209
  311   3HG2  THR  40          2HG2      THR  40  13.981  -2.291  -2.927
  312    H    ASP  41           H        ASP  41  14.645  -3.803  -3.898
  313    HA   ASP  41           HA       ASP  41  15.982  -5.565  -5.531
  314   1HB   ASP  41          2HB       ASP  41  17.116  -4.057  -3.937
  315   2HB   ASP  41          1HB       ASP  41  16.599  -5.085  -2.600
  316    H    LYS  42           H        LYS  42  15.213  -6.488  -2.156
  317    HA   LYS  42           HA       LYS  42  14.444  -9.184  -3.158
  318   1HB   LYS  42          2HB       LYS  42  16.256  -8.817  -0.764
  319   2HB   LYS  42          1HB       LYS  42  15.868 -10.315  -1.611
  320   1HG   LYS  42          2HG       LYS  42  17.005  -9.439  -3.640
  321   2HG   LYS  42          1HG       LYS  42  17.445  -7.984  -2.743
  322   1HD   LYS  42          2HD       LYS  42  19.321  -9.102  -2.156
  323   2HD   LYS  42          1HD       LYS  42  18.283 -10.022  -1.066
  324   1HE   LYS  42          2HE       LYS  42  19.071 -11.811  -2.244
  325   2HE   LYS  42          1HE       LYS  42  17.824 -11.339  -3.398
  326   1HZ   LYS  42          3HZ       LYS  42  20.083  -9.759  -3.857
  327   2HZ   LYS  42          2HZ       LYS  42  20.598 -11.376  -3.762
  328   3HZ   LYS  42          1HZ       LYS  42  19.397 -10.928  -4.877
  329    H    VAL  43           H        VAL  43  12.859  -6.946  -2.147
  330    HA   VAL  43           HA       VAL  43  11.665  -8.330   0.211
  331    HB   VAL  43           HB       VAL  43  12.061  -5.333  -0.051
  332   1HG1  VAL  43          2HG1      VAL  43  10.718  -7.093   2.011
  333   2HG1  VAL  43          1HG1      VAL  43  11.251  -5.452   2.377
  334   3HG1  VAL  43          3HG1      VAL  43  10.029  -5.725   1.136
  335   1HG2  VAL  43          2HG2      VAL  43  13.472  -7.495   1.506
  336   2HG2  VAL  43          1HG2      VAL  43  14.171  -6.186   0.553
  337   3HG2  VAL  43          3HG2      VAL  43  13.426  -5.840   2.113
  338    H    VAL  44           H        VAL  44   9.760  -9.030  -0.667
  339    HA   VAL  44           HA       VAL  44   8.324  -7.325  -2.608
  340    HB   VAL  44           HB       VAL  44   7.827 -10.114  -1.535
  341   1HG1  VAL  44          1HG1      VAL  44   6.204  -8.473  -3.503
  342   2HG1  VAL  44          3HG1      VAL  44   5.986 -10.199  -3.220
  343   3HG1  VAL  44          2HG1      VAL  44   5.666  -9.046  -1.924
  344   1HG2  VAL  44          1HG2      VAL  44   9.420  -9.067  -3.632
  345   2HG2  VAL  44          3HG2      VAL  44   9.050 -10.762  -3.314
  346   3HG2  VAL  44          2HG2      VAL  44   8.024  -9.824  -4.399
  347    H    MET  45           H        MET  45   6.980  -5.788  -1.806
  348    HA   MET  45           HA       MET  45   5.770  -6.208   0.878
  349   1HB   MET  45          2HB       MET  45   6.391  -3.822  -0.817
  350   2HB   MET  45          1HB       MET  45   5.037  -3.709   0.308
  351   1HG   MET  45          2HG       MET  45   6.432  -4.183   2.188
  352   2HG   MET  45          1HG       MET  45   7.768  -4.693   1.155
  353   1HE   MET  45          3HE       MET  45   7.064  -2.520   3.548
  354   2HE   MET  45          2HE       MET  45   7.301  -0.836   3.089
  355   3HE   MET  45          1HE       MET  45   5.789  -1.647   2.688
  356    H    GLU  46           H        GLU  46   3.445  -5.067   0.937
  357    HA   GLU  46           HA       GLU  46   1.906  -5.841  -1.492
  358   1HB   GLU  46          2HB       GLU  46   1.110  -6.628   1.326
  359   2HB   GLU  46          1HB       GLU  46   0.272  -7.052  -0.167
  360   1HG   GLU  46          2HG       GLU  46   2.174  -8.372  -0.918
  361   2HG   GLU  46          1HG       GLU  46   3.120  -7.864   0.483
  362    H    VAL  47           H        VAL  47  -0.432  -5.003  -1.259
  363    HA   VAL  47           HA       VAL  47  -0.598  -2.595   0.477
  364    HB   VAL  47           HB       VAL  47  -1.063  -2.590  -2.522
  365   1HG1  VAL  47          2HG1      VAL  47  -2.616  -1.191  -1.010
  366   2HG1  VAL  47          1HG1      VAL  47  -1.184  -0.229  -0.642
  367   3HG1  VAL  47          3HG1      VAL  47  -1.771  -0.337  -2.301
  368   1HG2  VAL  47          1HG2      VAL  47   1.039  -1.316  -0.744
  369   2HG2  VAL  47          3HG2      VAL  47   1.302  -2.499  -2.027
  370   3HG2  VAL  47          2HG2      VAL  47   0.782  -0.863  -2.430
  371    H    LEU  48           H        LEU  48  -2.343  -3.300   1.672
  372    HA   LEU  48           HA       LEU  48  -4.696  -4.378   0.190
  373   1HB   LEU  48          2HB       LEU  48  -3.472  -5.362   2.422
  374   2HB   LEU  48          1HB       LEU  48  -4.733  -4.364   3.148
  375    HG   LEU  48           HG       LEU  48  -5.857  -5.801   0.933
  376   1HD1  LEU  48          3HD1      LEU  48  -3.959  -7.376   1.356
  377   2HD1  LEU  48          2HD1      LEU  48  -4.518  -7.549   3.019
  378   3HD1  LEU  48          1HD1      LEU  48  -5.533  -8.098   1.686
  379   1HD2  LEU  48          3HD2      LEU  48  -6.263  -5.433   3.853
  380   2HD2  LEU  48          2HD2      LEU  48  -7.421  -5.292   2.530
  381   3HD2  LEU  48          1HD2      LEU  48  -6.981  -6.883   3.151
  382    H    ALA  49           H        ALA  49  -6.820  -3.514   0.723
  383    HA   ALA  49           HA       ALA  49  -6.732  -0.615   1.207
  384   1HB   ALA  49          3HB       ALA  49  -8.484  -2.446  -0.136
  385   2HB   ALA  49          2HB       ALA  49  -9.415  -1.566   1.075
  386   3HB   ALA  49          1HB       ALA  49  -8.518  -0.683  -0.160
  387    H    GLU  50           H        GLU  50  -8.335   0.346   2.787
  388    HA   GLU  50           HA       GLU  50  -8.299  -1.261   5.299
  389   1HB   GLU  50          2HB       GLU  50  -7.741   1.489   4.690
  390   2HB   GLU  50          1HB       GLU  50  -9.113   1.419   5.795
  391   1HG   GLU  50          2HG       GLU  50  -7.580  -0.388   7.013
  392   2HG   GLU  50          1HG       GLU  50  -6.294   0.516   6.212
  393    H    ALA  51           H        ALA  51 -10.343  -1.036   2.895
  394    HA   ALA  51           HA       ALA  51 -12.657  -1.838   4.190
  395   1HB   ALA  51          2HB       ALA  51 -12.201   1.061   4.460
  396   2HB   ALA  51          1HB       ALA  51 -13.796   0.641   3.834
  397   3HB   ALA  51          3HB       ALA  51 -13.260  -0.002   5.386
  398    H    ASP  52           H        ASP  52 -14.630  -1.625   2.772
  399    HA   ASP  52           HA       ASP  52 -13.999  -2.115   0.050
  400   1HB   ASP  52          2HB       ASP  52 -16.064  -2.978   0.581
  401   2HB   ASP  52          1HB       ASP  52 -16.503  -1.614   1.602
  402    H    GLY  53           H        GLY  53 -14.992  -0.753  -1.782
  403   1HA   GLY  53          2HA       GLY  53 -15.644   1.856  -1.929
  404   2HA   GLY  53          1HA       GLY  53 -13.937   1.995  -1.488
  405    H    VAL  54           H        VAL  54 -14.157   3.116  -3.764
  406    HA   VAL  54           HA       VAL  54 -13.527   1.037  -5.824
  407    HB   VAL  54           HB       VAL  54 -15.008   3.662  -6.152
  408   1HG1  VAL  54          2HG1      VAL  54 -13.399   2.089  -8.033
  409   2HG1  VAL  54          1HG1      VAL  54 -15.057   2.335  -8.583
  410   3HG1  VAL  54          3HG1      VAL  54 -14.039   3.724  -8.198
  411   1HG2  VAL  54          3HG2      VAL  54 -15.981   1.204  -5.475
  412   2HG2  VAL  54          2HG2      VAL  54 -16.897   2.399  -6.396
  413   3HG2  VAL  54          1HG2      VAL  54 -16.040   1.106  -7.235
  414    H    ILE  55           H        ILE  55 -11.547   1.287  -6.768
  415    HA   ILE  55           HA       ILE  55  -9.755   3.354  -5.830
  416    HB   ILE  55           HB       ILE  55  -9.149   1.790  -8.307
  417   1HG1  ILE  55          2HG1      ILE  55 -10.218   0.054  -7.070
  418   2HG1  ILE  55          1HG1      ILE  55  -8.502  -0.131  -6.727
  419   1HG2  ILE  55          3HG2      ILE  55  -7.735   2.949  -5.956
  420   2HG2  ILE  55          2HG2      ILE  55  -7.056   1.477  -6.651
  421   3HG2  ILE  55          1HG2      ILE  55  -7.256   2.916  -7.652
  422   1HD1  ILE  55          2HD1      ILE  55  -9.319   1.663  -4.786
  423   2HD1  ILE  55          1HD1      ILE  55 -10.692   0.564  -4.912
  424   3HD1  ILE  55          3HD1      ILE  55  -9.087  -0.067  -4.544
  425    H    ALA  56           H        ALA  56  -8.382   4.416  -7.833
  426    HA   ALA  56           HA       ALA  56 -10.438   5.839  -9.475
  427   1HB   ALA  56          2HB       ALA  56  -8.821   6.998  -7.658
  428   2HB   ALA  56          1HB       ALA  56  -7.748   7.045  -9.058
  429   3HB   ALA  56          3HB       ALA  56  -9.330   7.822  -9.133
  430    H    GLU  57           H        GLU  57  -6.928   5.094  -9.569
  431    HA   GLU  57           HA       GLU  57  -7.048   3.652 -12.027
  432   1HB   GLU  57          2HB       GLU  57  -5.990   5.432 -13.495
  433   2HB   GLU  57          1HB       GLU  57  -7.688   5.706 -13.105
  434   1HG   GLU  57          2HG       GLU  57  -6.945   7.170 -11.200
  435   2HG   GLU  57          1HG       GLU  57  -5.290   7.004 -11.786
  436    H    ILE  58           H        ILE  58  -4.872   3.120 -12.811
  437    HA   ILE  58           HA       ILE  58  -2.886   3.302 -10.631
  438    HB   ILE  58           HB       ILE  58  -2.573   1.867 -13.276
  439   1HG1  ILE  58          2HG1      ILE  58  -3.292   0.060 -11.201
  440   2HG1  ILE  58          1HG1      ILE  58  -4.487   1.362 -11.186
  441   1HG2  ILE  58          2HG2      ILE  58  -1.271   1.765 -10.563
  442   2HG2  ILE  58          1HG2      ILE  58  -1.227   0.358 -11.625
  443   3HG2  ILE  58          3HG2      ILE  58  -0.511   1.882 -12.150
  444   1HD1  ILE  58          1HD1      ILE  58  -3.690   0.261 -13.843
  445   2HD1  ILE  58          3HD1      ILE  58  -4.721  -0.744 -12.825
  446   3HD1  ILE  58          2HD1      ILE  58  -5.255   0.868 -13.302
  447    H    VAL  59           H        VAL  59  -0.932   4.404 -10.817
  448    HA   VAL  59           HA       VAL  59  -0.721   6.238 -13.153
  449    HB   VAL  59           HB       VAL  59   0.875   6.341 -10.582
  450   1HG1  VAL  59          2HG1      VAL  59   0.786   7.863 -13.043
  451   2HG1  VAL  59          1HG1      VAL  59   0.358   8.890 -11.674
  452   3HG1  VAL  59          3HG1      VAL  59   1.894   8.024 -11.680
  453   1HG2  VAL  59          1HG2      VAL  59  -1.934   6.761 -10.946
  454   2HG2  VAL  59          3HG2      VAL  59  -0.971   7.032  -9.494
  455   3HG2  VAL  59          2HG2      VAL  59  -1.175   8.329 -10.671
  456    H    LYS  60           H        LYS  60   0.664   3.406 -11.825
  457    HA   LYS  60           HA       LYS  60   2.986   3.692 -13.690
  458   1HB   LYS  60          2HB       LYS  60   3.049   3.361 -10.872
  459   2HB   LYS  60          1HB       LYS  60   3.550   1.822 -11.576
  460   1HG   LYS  60          2HG       LYS  60   5.576   2.976 -11.509
  461   2HG   LYS  60          1HG       LYS  60   5.018   3.345 -13.142
  462   1HD   LYS  60          2HD       LYS  60   3.800   5.314 -11.638
  463   2HD   LYS  60          1HD       LYS  60   5.362   5.135 -10.840
  464   1HE   LYS  60          2HE       LYS  60   6.101   6.534 -12.477
  465   2HE   LYS  60          1HE       LYS  60   6.109   5.074 -13.468
  466   1HZ   LYS  60          1HZ       LYS  60   3.653   6.680 -13.194
  467   2HZ   LYS  60          3HZ       LYS  60   4.851   7.136 -14.304
  468   3HZ   LYS  60          2HZ       LYS  60   4.102   5.617 -14.440
  469    H    ASN  61           H        ASN  61   3.956   1.173 -13.717
  470    HA   ASN  61           HA       ASN  61   1.616  -0.592 -14.287
  471   1HB   ASN  61          2HB       ASN  61   3.947   0.088 -16.075
  472   2HB   ASN  61          1HB       ASN  61   3.084  -1.441 -16.256
  473   1HD2  ASN  61          2HD2      ASN  61   1.221   2.062 -17.297
  474   2HD2  ASN  61          1HD2      ASN  61   2.657   2.106 -16.378
  475    H    GLU  62           H        GLU  62   2.294  -2.931 -14.404
  476    HA   GLU  62           HA       GLU  62   3.930  -3.608 -12.131
  477   1HB   GLU  62          2HB       GLU  62   3.340  -5.617 -14.276
  478   2HB   GLU  62          1HB       GLU  62   3.281  -5.804 -12.523
  479   1HG   GLU  62          2HG       GLU  62   1.046  -5.538 -12.692
  480   2HG   GLU  62          1HG       GLU  62   1.370  -3.841 -13.053
  481    H    GLY  63           H        GLY  63   6.094  -4.068 -12.042
  482   1HA   GLY  63          2HA       GLY  63   8.227  -4.755 -12.863
  483   2HA   GLY  63          1HA       GLY  63   7.562  -4.770 -14.500
  484    H    ASP  64           H        ASP  64   6.485  -1.930 -13.396
  485    HA   ASP  64           HA       ASP  64   8.594  -0.444 -14.770
  486   1HB   ASP  64          2HB       ASP  64   6.575   0.549 -15.242
  487   2HB   ASP  64          1HB       ASP  64   5.886   0.167 -13.664
  488    H    THR  65           H        THR  65   9.403   1.624 -13.651
  489    HA   THR  65           HA       THR  65  10.434   0.831 -10.974
  490    HB   THR  65           HB       THR  65  11.343   3.104 -12.765
  491    HG1  THR  65           HG1      THR  65  12.733   0.700 -12.409
  492   1HG2  THR  65          3HG2      THR  65  11.847   2.650 -10.096
  493   2HG2  THR  65          2HG2      THR  65  13.209   1.848 -10.875
  494   3HG2  THR  65          1HG2      THR  65  12.899   3.556 -11.183
  495    H    VAL  66           H        VAL  66   9.995   2.053  -9.149
  496    HA   VAL  66           HA       VAL  66   8.259   4.458  -9.550
  497    HB   VAL  66           HB       VAL  66   7.015   3.857  -7.576
  498   1HG1  VAL  66          3HG1      VAL  66   7.496   1.611  -9.528
  499   2HG1  VAL  66          2HG1      VAL  66   6.335   1.432  -8.212
  500   3HG1  VAL  66          1HG1      VAL  66   6.112   2.699  -9.420
  501   1HG2  VAL  66          1HG2      VAL  66   9.266   1.897  -7.225
  502   2HG2  VAL  66          3HG2      VAL  66   8.553   2.993  -6.042
  503   3HG2  VAL  66          2HG2      VAL  66   7.688   1.535  -6.528
  504    H    LEU  67           H        LEU  67   8.326   5.894  -7.498
  505    HA   LEU  67           HA       LEU  67  11.051   5.836  -6.276
  506   1HB   LEU  67          2HB       LEU  67  10.829   8.444  -6.439
  507   2HB   LEU  67          1HB       LEU  67  11.352   7.538  -7.858
  508    HG   LEU  67           HG       LEU  67   8.424   7.792  -7.577
  509   1HD1  LEU  67          3HD1      LEU  67  10.039  10.103  -7.164
  510   2HD1  LEU  67          2HD1      LEU  67   9.350  10.225  -8.782
  511   3HD1  LEU  67          1HD1      LEU  67   8.291  10.029  -7.386
  512   1HD2  LEU  67          2HD2      LEU  67  10.400   8.322  -9.821
  513   2HD2  LEU  67          1HD2      LEU  67   9.534   6.809  -9.550
  514   3HD2  LEU  67          3HD2      LEU  67   8.646   8.266  -9.998
  515    H    SER  68           H        SER  68  11.031   7.637  -4.424
  516    HA   SER  68           HA       SER  68   9.112   6.792  -2.481
  517   1HB   SER  68          2HB       SER  68  11.398   7.844  -2.049
  518   2HB   SER  68          1HB       SER  68  10.649   9.398  -2.405
  519    HG   SER  68           HG       SER  68   9.374   7.683  -0.602
  520    H    GLY  69           H        GLY  69   7.246   7.849  -1.689
  521   1HA   GLY  69          2HA       GLY  69   5.291   9.133  -1.875
  522   2HA   GLY  69          1HA       GLY  69   6.342  10.426  -2.452
  523    H    GLU  70           H        GLU  70   6.159   7.347  -4.114
  524    HA   GLU  70           HA       GLU  70   5.266   8.735  -6.545
  525   1HB   GLU  70          2HB       GLU  70   7.031   6.950  -6.579
  526   2HB   GLU  70          1HB       GLU  70   5.793   5.779  -6.117
  527   1HG   GLU  70          2HG       GLU  70   6.233   5.905  -8.604
  528   2HG   GLU  70          1HG       GLU  70   4.552   6.183  -8.146
  529    H    LEU  71           H        LEU  71   3.119   9.063  -6.852
  530    HA   LEU  71           HA       LEU  71   1.101   7.574  -5.396
  531   1HB   LEU  71          2HB       LEU  71   0.693   9.896  -6.041
  532   2HB   LEU  71          1HB       LEU  71   0.871   9.479  -7.746
  533    HG   LEU  71           HG       LEU  71  -1.038   7.783  -7.326
  534   1HD1  LEU  71          3HD1      LEU  71  -1.369   9.626  -4.938
  535   2HD1  LEU  71          2HD1      LEU  71  -2.557   8.439  -5.478
  536   3HD1  LEU  71          1HD1      LEU  71  -0.990   7.904  -4.872
  537   1HD2  LEU  71          3HD2      LEU  71  -0.993  10.365  -8.254
  538   2HD2  LEU  71          2HD2      LEU  71  -2.416   9.324  -8.285
  539   3HD2  LEU  71          1HD2      LEU  71  -2.196  10.477  -6.969
  540    H    LEU  72           H        LEU  72   0.876   5.431  -5.918
  541    HA   LEU  72           HA       LEU  72   1.098   4.573  -8.734
  542   1HB   LEU  72          2HB       LEU  72   0.354   2.822  -6.389
  543   2HB   LEU  72          1HB       LEU  72   1.132   2.352  -7.901
  544    HG   LEU  72           HG       LEU  72   2.382   4.183  -5.833
  545   1HD1  LEU  72          3HD1      LEU  72   1.969   1.549  -5.437
  546   2HD1  LEU  72          2HD1      LEU  72   3.450   1.461  -6.389
  547   3HD1  LEU  72          1HD1      LEU  72   3.426   2.372  -4.880
  548   1HD2  LEU  72          1HD2      LEU  72   2.946   3.904  -8.524
  549   2HD2  LEU  72          3HD2      LEU  72   4.093   4.457  -7.303
  550   3HD2  LEU  72          2HD2      LEU  72   4.063   2.760  -7.782
  551    H    GLY  73           H        GLY  73  -1.324   5.658  -6.628
  552   1HA   GLY  73          2HA       GLY  73  -3.433   5.548  -8.444
  553   2HA   GLY  73          1HA       GLY  73  -3.512   4.010  -7.577
  554    H    LYS  74           H        LYS  74  -5.588   5.875  -7.353
  555    HA   LYS  74           HA       LYS  74  -5.317   6.621  -4.477
  556   1HB   LYS  74          2HB       LYS  74  -6.789   8.660  -5.111
  557   2HB   LYS  74          1HB       LYS  74  -5.071   8.737  -5.500
  558   1HG   LYS  74          2HG       LYS  74  -6.622   7.459  -7.619
  559   2HG   LYS  74          1HG       LYS  74  -7.166   9.106  -7.296
  560   1HD   LYS  74          2HD       LYS  74  -4.230   8.740  -7.378
  561   2HD   LYS  74          1HD       LYS  74  -5.061   8.508  -8.916
  562   1HE   LYS  74          2HE       LYS  74  -6.175  10.808  -7.618
  563   2HE   LYS  74          1HE       LYS  74  -4.419  10.968  -7.633
  564   1HZ   LYS  74          2HZ       LYS  74  -4.653  10.211 -10.068
  565   2HZ   LYS  74          1HZ       LYS  74  -6.273  10.697  -9.903
  566   3HZ   LYS  74          3HZ       LYS  74  -5.025  11.820  -9.671
  567    H    LEU  75           H        LEU  75  -7.203   6.283  -3.276
  568    HA   LEU  75           HA       LEU  75  -9.338   4.783  -4.696
  569   1HB   LEU  75          2HB       LEU  75  -8.166   3.922  -2.571
  570   2HB   LEU  75          1HB       LEU  75  -9.092   5.152  -1.708
  571    HG   LEU  75           HG       LEU  75 -10.723   3.581  -3.574
  572   1HD1  LEU  75          2HD1      LEU  75  -8.794   2.106  -2.228
  573   2HD1  LEU  75          1HD1      LEU  75 -10.202   1.988  -1.172
  574   3HD1  LEU  75          3HD1      LEU  75 -10.317   1.474  -2.855
  575   1HD2  LEU  75          3HD2      LEU  75 -10.898   4.957  -1.032
  576   2HD2  LEU  75          2HD2      LEU  75 -12.199   4.468  -2.116
  577   3HD2  LEU  75          1HD2      LEU  75 -11.596   3.343  -0.899
  578    H    THR  76           H        THR  76 -11.628   5.235  -3.867
  579    HA   THR  76           HA       THR  76 -12.075   8.147  -3.988
  580    HB   THR  76           HB       THR  76 -14.209   6.024  -3.744
  581    HG1  THR  76           HG1      THR  76 -13.781   5.391  -5.688
  582   1HG2  THR  76          3HG2      THR  76 -14.018   8.877  -4.594
  583   2HG2  THR  76          2HG2      THR  76 -15.174   7.849  -5.441
  584   3HG2  THR  76          1HG2      THR  76 -15.293   8.056  -3.694
  585    H    GLU  77           H        GLU  77 -13.824   9.031  -2.451
  586    HA   GLU  77           HA       GLU  77 -12.945   8.875   0.227
  587   1HB   GLU  77          2HB       GLU  77 -15.579   9.732  -0.984
  588   2HB   GLU  77          1HB       GLU  77 -15.273   9.834   0.750
  589   1HG   GLU  77          2HG       GLU  77 -13.382  11.302   0.397
  590   2HG   GLU  77          1HG       GLU  77 -13.483  11.083  -1.351
  591    H    GLY  78           H        GLY  78 -15.874   7.365  -1.189
  592   1HA   GLY  78          2HA       GLY  78 -15.513   5.082   0.660
  593   2HA   GLY  78          1HA       GLY  78 -17.022   5.986   0.802
  594    H    GLY  79           HN       GLY  79 -18.513   5.938  -0.978
  595   1HA   GLY  79          2HA       GLY  79 -18.007   4.563  -3.438
  596   2HA   GLY  79          1HA       GLY  79 -18.779   3.455  -2.302
   
  No H/Q in entry =         596
  Start of MODEL    4
    1   1H    ALA   1          3H        ALA   1 -10.180   8.930   2.613
    2   2H    ALA   1          2H        ALA   1 -10.761  10.305   1.802
    3   3H    ALA   1          1H        ALA   1 -11.563   8.817   1.639
    4    HA   ALA   1           HA       ALA   1 -10.309   8.260  -0.078
    5   1HB   ALA   1          3HB       ALA   1  -9.011  10.945   0.473
    6   2HB   ALA   1          2HB       ALA   1  -8.757  10.000  -0.993
    7   3HB   ALA   1          1HB       ALA   1 -10.359  10.634  -0.620
    8    H    ILE   2           H        ILE   2  -8.609   6.856  -0.316
    9    HA   ILE   2           HA       ILE   2  -6.468   6.978   1.767
   10    HB   ILE   2           HB       ILE   2  -7.316   4.571   0.133
   11   1HG1  ILE   2          2HG1      ILE   2  -9.200   5.241   1.508
   12   2HG1  ILE   2          1HG1      ILE   2  -8.429   3.853   2.276
   13   1HG2  ILE   2          1HG2      ILE   2  -5.092   5.122   1.819
   14   2HG2  ILE   2          3HG2      ILE   2  -6.145   4.008   2.693
   15   3HG2  ILE   2          2HG2      ILE   2  -5.541   3.579   1.093
   16   1HD1  ILE   2          3HD1      ILE   2  -7.049   5.638   3.581
   17   2HD1  ILE   2          2HD1      ILE   2  -8.324   6.752   3.085
   18   3HD1  ILE   2          1HD1      ILE   2  -8.718   5.343   4.070
   19    H    ASP   3           H        ASP   3  -4.985   8.288   0.640
   20    HA   ASP   3           HA       ASP   3  -4.330   7.941  -2.136
   21   1HB   ASP   3          2HB       ASP   3  -3.772  10.033  -1.098
   22   2HB   ASP   3          1HB       ASP   3  -2.839   9.223   0.167
   23    H    ILE   4           H        ILE   4  -3.073   6.399  -3.074
   24    HA   ILE   4           HA       ILE   4  -1.541   4.586  -1.273
   25    HB   ILE   4           HB       ILE   4  -2.563   4.264  -4.107
   26   1HG1  ILE   4          2HG1      ILE   4  -3.116   2.375  -1.858
   27   2HG1  ILE   4          1HG1      ILE   4  -3.935   3.937  -1.831
   28   1HG2  ILE   4          3HG2      ILE   4  -0.486   2.777  -2.567
   29   2HG2  ILE   4          2HG2      ILE   4  -1.641   1.816  -3.491
   30   3HG2  ILE   4          1HG2      ILE   4  -0.639   3.016  -4.308
   31   1HD1  ILE   4          2HD1      ILE   4  -4.456   3.385  -4.350
   32   2HD1  ILE   4          1HD1      ILE   4  -4.152   1.723  -3.846
   33   3HD1  ILE   4          3HD1      ILE   4  -5.435   2.657  -3.077
   34    H    LYS   5           H        LYS   5   0.433   5.652  -1.028
   35    HA   LYS   5           HA       LYS   5   1.921   6.229  -3.560
   36   1HB   LYS   5          2HB       LYS   5   1.315   8.015  -1.536
   37   2HB   LYS   5          1HB       LYS   5   2.951   7.500  -1.123
   38   1HG   LYS   5          2HG       LYS   5   3.666   8.001  -3.456
   39   2HG   LYS   5          1HG       LYS   5   2.043   8.603  -3.797
   40   1HD   LYS   5          2HD       LYS   5   2.946   9.848  -1.392
   41   2HD   LYS   5          1HD       LYS   5   4.226  10.004  -2.596
   42   1HE   LYS   5          2HE       LYS   5   3.030  11.758  -3.386
   43   2HE   LYS   5          1HE       LYS   5   1.959  10.538  -4.075
   44   1HZ   LYS   5          3HZ       LYS   5   1.363  10.945  -1.340
   45   2HZ   LYS   5          2HZ       LYS   5   1.331  12.431  -2.162
   46   3HZ   LYS   5          1HZ       LYS   5   0.357  11.143  -2.692
   47    H    ALA   6           H        ALA   6   4.089   5.504  -3.658
   48    HA   ALA   6           HA       ALA   6   4.704   3.099  -2.255
   49   1HB   ALA   6          2HB       ALA   6   6.284   5.004  -3.958
   50   2HB   ALA   6          1HB       ALA   6   7.119   3.711  -3.096
   51   3HB   ALA   6          3HB       ALA   6   5.864   3.321  -4.272
   52    HA   PRO   7           HA       PRO   7   6.449   4.574   1.491
   53   1HB   PRO   7          2HB       PRO   7   8.212   2.527   2.003
   54   2HB   PRO   7          1HB       PRO   7   6.457   2.381   2.202
   55   1HG   PRO   7          2HG       PRO   7   8.202   1.269   0.054
   56   2HG   PRO   7          1HG       PRO   7   6.644   0.677   0.653
   57   1HD   PRO   7          2HD       PRO   7   7.054   2.144  -1.734
   58   2HD   PRO   7          1HD       PRO   7   5.486   1.831  -0.954
   59    H    THR   8           H        THR   8   7.932   6.212   1.690
   60    HA   THR   8           HA       THR   8   9.949   6.911  -0.069
   61    HB   THR   8           HB       THR   8   9.856   7.242   2.939
   62    HG1  THR   8           HG1      THR   8   8.724   8.931   2.446
   63   1HG2  THR   8          3HG2      THR   8  12.047   7.695   1.110
   64   2HG2  THR   8          2HG2      THR   8  11.491   9.226   1.785
   65   3HG2  THR   8          1HG2      THR   8  11.998   7.921   2.858
   66    H    PHE   9           H        PHE   9  11.450   5.493  -0.859
   67    HA   PHE   9           HA       PHE   9  12.541   3.317   0.703
   68   1HB   PHE   9          2HB       PHE   9  13.763   4.487  -1.806
   69   2HB   PHE   9          1HB       PHE   9  13.867   2.823  -1.218
   70    HD1  PHE   9           HD2      PHE   9  11.495   1.654  -0.824
   71    HD2  PHE   9           HD1      PHE   9  12.211   4.955  -3.481
   72    HE1  PHE   9           HE2      PHE   9   9.447   1.073  -2.099
   73    HE2  PHE   9           HE1      PHE   9  10.163   4.375  -4.755
   74    HZ   PHE   9           HZ       PHE   9   8.781   2.434  -4.064
   75    HA   PRO  10           HA       PRO  10  15.798   5.495   2.702
   76   1HB   PRO  10          2HB       PRO  10  17.378   3.326   3.301
   77   2HB   PRO  10          1HB       PRO  10  15.884   3.718   4.171
   78   1HG   PRO  10          2HG       PRO  10  16.379   1.564   2.167
   79   2HG   PRO  10          1HG       PRO  10  15.189   1.626   3.479
   80   1HD   PRO  10          2HD       PRO  10  14.662   2.101   0.737
   81   2HD   PRO  10          1HD       PRO  10  13.573   2.476   2.091
   82    H    GLU  11           H        GLU  11  18.514   4.679   2.674
   83    HA   GLU  11           HA       GLU  11  19.342   5.697   0.075
   84   1HB   GLU  11          2HB       GLU  11  20.526   5.320   2.675
   85   2HB   GLU  11          1HB       GLU  11  21.578   4.621   1.444
   86   1HG   GLU  11          2HG       GLU  11  20.391   7.286   0.843
   87   2HG   GLU  11          1HG       GLU  11  21.654   7.233   2.074
   88    H    SER  12           H        SER  12  19.876   2.597   1.791
   89    HA   SER  12           HA       SER  12  21.264   1.164  -0.102
   90   1HB   SER  12          2HB       SER  12  20.152   0.421   2.173
   91   2HB   SER  12          1HB       SER  12  18.856  -0.148   1.118
   92    HG   SER  12           HG       SER  12  21.517  -0.988   1.341
   93    H    ILE  13           H        ILE  13  17.684   1.359  -0.020
   94    HA   ILE  13           HA       ILE  13  17.591   0.353  -2.796
   95    HB   ILE  13           HB       ILE  13  15.310   1.200  -0.986
   96   1HG1  ILE  13          2HG1      ILE  13  15.416  -1.606  -1.248
   97   2HG1  ILE  13          1HG1      ILE  13  17.069  -1.102  -0.893
   98   1HG2  ILE  13          2HG2      ILE  13  15.544  -0.153  -3.654
   99   2HG2  ILE  13          1HG2      ILE  13  14.209  -0.589  -2.587
  100   3HG2  ILE  13          3HG2      ILE  13  14.399   1.079  -3.125
  101   1HD1  ILE  13          2HD1      ILE  13  15.572   0.460   0.831
  102   2HD1  ILE  13          1HD1      ILE  13  14.702  -1.075   0.837
  103   3HD1  ILE  13          3HD1      ILE  13  16.411  -1.029   1.271
  104    H    ALA  14           H        ALA  14  17.963   1.868  -4.351
  105    HA   ALA  14           HA       ALA  14  17.233   4.686  -3.868
  106   1HB   ALA  14          2HB       ALA  14  18.803   3.211  -5.960
  107   2HB   ALA  14          1HB       ALA  14  18.190   4.825  -6.317
  108   3HB   ALA  14          3HB       ALA  14  19.292   4.581  -4.962
  109    H    ASP  15           H        ASP  15  15.406   2.172  -4.600
  110    HA   ASP  15           HA       ASP  15  13.215   3.532  -5.637
  111   1HB   ASP  15          2HB       ASP  15  13.442   2.608  -8.105
  112   2HB   ASP  15          1HB       ASP  15  14.171   4.154  -7.665
  113    H    GLY  16           H        GLY  16  11.909   1.786  -7.230
  114   1HA   GLY  16          2HA       GLY  16  12.404  -0.974  -6.331
  115   2HA   GLY  16          1HA       GLY  16  10.922  -0.239  -5.721
  116    H    THR  17           H        THR  17   9.996  -2.112  -7.041
  117    HA   THR  17           HA       THR  17   9.260  -1.063  -9.709
  118    HB   THR  17           HB       THR  17  10.379  -3.854  -9.301
  119    HG1  THR  17           HG1      THR  17  11.901  -2.921 -10.907
  120   1HG2  THR  17          1HG2      THR  17   8.540  -3.736 -10.952
  121   2HG2  THR  17          3HG2      THR  17   9.394  -2.445 -11.798
  122   3HG2  THR  17          2HG2      THR  17  10.087  -4.066 -11.731
  123    H    VAL  18           H        VAL  18   7.106  -1.408 -10.068
  124    HA   VAL  18           HA       VAL  18   5.365  -2.392  -8.094
  125    HB   VAL  18           HB       VAL  18   4.869  -2.489 -11.084
  126   1HG1  VAL  18          3HG1      VAL  18   3.179  -2.653  -8.621
  127   2HG1  VAL  18          2HG1      VAL  18   2.517  -1.823 -10.029
  128   3HG1  VAL  18          1HG1      VAL  18   3.012  -3.512 -10.153
  129   1HG2  VAL  18          3HG2      VAL  18   5.418  -0.259  -9.347
  130   2HG2  VAL  18          2HG2      VAL  18   5.037  -0.243 -11.068
  131   3HG2  VAL  18          1HG2      VAL  18   3.737  -0.180  -9.878
  132    H    ALA  19           H        ALA  19   3.986  -4.394  -8.229
  133    HA   ALA  19           HA       ALA  19   5.664  -6.708  -9.102
  134   1HB   ALA  19          3HB       ALA  19   5.170  -6.586  -6.671
  135   2HB   ALA  19          2HB       ALA  19   3.445  -6.616  -7.034
  136   3HB   ALA  19          1HB       ALA  19   4.451  -8.015  -7.414
  137    H    THR  20           H        THR  20   2.176  -6.447  -8.402
  138    HA   THR  20           HA       THR  20   1.466  -6.841 -11.212
  139    HB   THR  20           HB       THR  20   1.124  -9.075  -9.194
  140    HG1  THR  20           HG1      THR  20   2.184  -9.199 -11.801
  141   1HG2  THR  20          1HG2      THR  20  -0.272  -8.470 -11.778
  142   2HG2  THR  20          3HG2      THR  20   0.048 -10.149 -11.345
  143   3HG2  THR  20          2HG2      THR  20  -0.931  -9.137 -10.283
  144    H    TRP  21           H        TRP  21  -0.539  -5.951 -11.528
  145    HA   TRP  21           HA       TRP  21  -2.039  -5.064  -9.158
  146   1HB   TRP  21          2HB       TRP  21  -1.961  -4.403 -12.064
  147   2HB   TRP  21          1HB       TRP  21  -3.477  -4.135 -11.210
  148    HD1  TRP  21           HD1      TRP  21   0.044  -2.830 -11.543
  149    HE1  TRP  21           HE1      TRP  21   0.304  -0.691 -10.117
  150    HE3  TRP  21           HE3      TRP  21  -4.365  -2.928  -8.958
  151    HZ2  TRP  21           HZ2      TRP  21  -1.135   0.765  -8.172
  152    HZ3  TRP  21           HZ3      TRP  21  -4.894  -1.142  -7.317
  153    HH2  TRP  21           HH2      TRP  21  -3.284   0.707  -6.920
  154    H    HIS  22           H        HIS  22  -2.821  -7.175  -8.491
  155    HA   HIS  22           HA       HIS  22  -4.126  -9.127  -9.967
  156   1HB   HIS  22          2HB       HIS  22  -5.542  -8.222  -7.484
  157   2HB   HIS  22          1HB       HIS  22  -5.137  -9.860  -8.010
  158    HD1  HIS  22           HD1      HIS  22  -3.597  -6.788  -6.459
  159    HD2  HIS  22           HD2      HIS  22  -2.605 -10.774  -7.162
  160    HE1  HIS  22           HE1      HIS  22  -1.394  -7.186  -5.308
  161    H    LYS  23           H        LYS  23  -5.836  -6.317  -8.538
  162    HA   LYS  23           HA       LYS  23  -7.992  -6.742 -10.548
  163   1HB   LYS  23          2HB       LYS  23  -7.870  -5.190  -7.952
  164   2HB   LYS  23          1HB       LYS  23  -9.215  -5.042  -9.085
  165   1HG   LYS  23          2HG       LYS  23  -9.148  -7.705  -8.949
  166   2HG   LYS  23          1HG       LYS  23  -8.420  -7.363  -7.379
  167   1HD   LYS  23          2HD       LYS  23 -10.377  -6.619  -6.508
  168   2HD   LYS  23          1HD       LYS  23 -10.773  -5.702  -7.962
  169   1HE   LYS  23          2HE       LYS  23 -10.913  -8.696  -8.058
  170   2HE   LYS  23          1HE       LYS  23 -12.224  -7.804  -7.285
  171   1HZ   LYS  23          1HZ       LYS  23 -12.120  -6.385  -9.422
  172   2HZ   LYS  23          3HZ       LYS  23 -11.332  -7.731 -10.088
  173   3HZ   LYS  23          2HZ       LYS  23 -12.905  -7.892  -9.465
  174    H    LYS  24           H        LYS  24  -9.042  -4.324 -10.952
  175    HA   LYS  24           HA       LYS  24  -6.764  -2.607 -11.859
  176   1HB   LYS  24          2HB       LYS  24  -8.897  -3.859 -13.399
  177   2HB   LYS  24          1HB       LYS  24  -8.898  -2.107 -13.595
  178   1HG   LYS  24          2HG       LYS  24  -6.903  -2.097 -14.694
  179   2HG   LYS  24          1HG       LYS  24  -6.224  -3.366 -13.673
  180   1HD   LYS  24          2HD       LYS  24  -6.465  -4.649 -15.543
  181   2HD   LYS  24          1HD       LYS  24  -8.141  -4.769 -15.006
  182   1HE   LYS  24          2HE       LYS  24  -8.206  -2.399 -16.353
  183   2HE   LYS  24          1HE       LYS  24  -6.996  -3.279 -17.288
  184   1HZ   LYS  24          1HZ       LYS  24  -9.609  -4.458 -16.545
  185   2HZ   LYS  24          3HZ       LYS  24  -9.376  -3.593 -17.986
  186   3HZ   LYS  24          2HZ       LYS  24  -8.498  -5.019 -17.702
  187    HA   PRO  25           HA       PRO  25  -8.880   0.772 -10.033
  188   1HB   PRO  25          2HB       PRO  25  -8.385   2.779 -11.847
  189   2HB   PRO  25          1HB       PRO  25  -7.157   2.129 -10.746
  190   1HG   PRO  25          2HG       PRO  25  -7.485   1.664 -13.676
  191   2HG   PRO  25          1HG       PRO  25  -6.015   1.612 -12.689
  192   1HD   PRO  25          2HD       PRO  25  -7.460  -0.637 -13.599
  193   2HD   PRO  25          1HD       PRO  25  -6.226  -0.642 -12.322
  194    H    GLY  26           H        GLY  26 -11.094   0.904  -9.963
  195   1HA   GLY  26          2HA       GLY  26 -12.997   2.167 -11.092
  196   2HA   GLY  26          1HA       GLY  26 -12.554   1.272 -12.550
  197    H    GLU  27           H        GLU  27 -12.102  -0.669  -9.843
  198    HA   GLU  27           HA       GLU  27 -14.764  -1.955 -10.294
  199   1HB   GLU  27          2HB       GLU  27 -12.255  -3.288  -9.242
  200   2HB   GLU  27          1HB       GLU  27 -13.737  -4.073  -9.791
  201   1HG   GLU  27          2HG       GLU  27 -12.475  -2.268 -11.765
  202   2HG   GLU  27          1HG       GLU  27 -11.541  -3.711 -11.368
  203    H    ALA  28           H        ALA  28 -14.978  -3.575  -8.141
  204    HA   ALA  28           HA       ALA  28 -15.028  -1.634  -5.875
  205   1HB   ALA  28          1HB       ALA  28 -16.834  -3.756  -6.821
  206   2HB   ALA  28          3HB       ALA  28 -16.545  -3.793  -5.081
  207   3HB   ALA  28          2HB       ALA  28 -17.188  -2.335  -5.838
  208    H    VAL  29           H        VAL  29 -14.474  -2.479  -3.724
  209    HA   VAL  29           HA       VAL  29 -12.869  -4.979  -3.722
  210    HB   VAL  29           HB       VAL  29 -11.189  -3.565  -2.258
  211   1HG1  VAL  29          1HG1      VAL  29 -10.882  -4.687  -4.564
  212   2HG1  VAL  29          3HG1      VAL  29 -11.157  -3.082  -5.239
  213   3HG1  VAL  29          2HG1      VAL  29  -9.791  -3.362  -4.160
  214   1HG2  VAL  29          2HG2      VAL  29 -12.549  -1.489  -4.004
  215   2HG2  VAL  29          1HG2      VAL  29 -12.463  -1.494  -2.243
  216   3HG2  VAL  29          3HG2      VAL  29 -11.001  -1.238  -3.196
  217    H    LYS  30           H        LYS  30 -11.973  -5.060  -1.198
  218    HA   LYS  30           HA       LYS  30 -14.136  -4.200   0.630
  219   1HB   LYS  30          2HB       LYS  30 -13.501  -7.047  -0.091
  220   2HB   LYS  30          1HB       LYS  30 -14.051  -6.667   1.542
  221   1HG   LYS  30          2HG       LYS  30 -15.803  -5.228  -0.047
  222   2HG   LYS  30          1HG       LYS  30 -15.563  -6.714  -0.970
  223   1HD   LYS  30          2HD       LYS  30 -16.283  -8.079   0.844
  224   2HD   LYS  30          1HD       LYS  30 -16.171  -6.743   1.991
  225   1HE   LYS  30          2HE       LYS  30 -18.381  -6.436   1.620
  226   2HE   LYS  30          1HE       LYS  30 -17.903  -5.765   0.061
  227   1HZ   LYS  30          3HZ       LYS  30 -17.975  -8.636   0.099
  228   2HZ   LYS  30          2HZ       LYS  30 -19.486  -7.929   0.415
  229   3HZ   LYS  30          1HZ       LYS  30 -18.651  -7.550  -1.015
  230    H    ARG  31           H        ARG  31 -13.338  -3.786   2.673
  231    HA   ARG  31           HA       ARG  31 -10.680  -3.323   3.205
  232   1HB   ARG  31          2HB       ARG  31 -12.763  -2.894   4.691
  233   2HB   ARG  31          1HB       ARG  31 -12.433  -4.495   5.358
  234   1HG   ARG  31          2HG       ARG  31  -9.946  -3.151   5.275
  235   2HG   ARG  31          1HG       ARG  31 -11.108  -1.996   5.930
  236   1HD   ARG  31          2HD       ARG  31 -11.518  -4.652   7.043
  237   2HD   ARG  31          1HD       ARG  31  -9.875  -4.083   7.330
  238    HE   ARG  31           HE       ARG  31 -12.315  -2.942   8.478
  239   1HH1  ARG  31          2HH1      ARG  31 -11.390  -0.444   7.718
  240   2HH1  ARG  31          1HH1      ARG  31 -10.084  -0.054   8.787
  241   1HH2  ARG  31          1HH2      ARG  31  -9.598  -3.328   9.819
  242   2HH2  ARG  31          2HH2      ARG  31  -9.069  -1.687   9.976
  243    H    ASP  32           H        ASP  32  -8.889  -4.545   3.741
  244    HA   ASP  32           HA       ASP  32  -7.590  -6.453   4.187
  245   1HB   ASP  32          2HB       ASP  32  -9.481  -6.809   5.924
  246   2HB   ASP  32          1HB       ASP  32 -10.136  -7.966   4.765
  247    H    GLU  33           H        GLU  33  -8.103  -5.946   1.570
  248    HA   GLU  33           HA       GLU  33  -8.398  -8.689   0.458
  249   1HB   GLU  33          2HB       GLU  33 -10.574  -7.425   0.215
  250   2HB   GLU  33          1HB       GLU  33  -9.713  -6.263  -0.794
  251   1HG   GLU  33          2HG       GLU  33  -9.072  -8.895  -1.718
  252   2HG   GLU  33          1HG       GLU  33 -10.826  -8.771  -1.572
  253    H    LEU  34           H        LEU  34  -6.578  -9.089  -0.694
  254    HA   LEU  34           HA       LEU  34  -4.480  -7.386  -1.216
  255   1HB   LEU  34          2HB       LEU  34  -4.456  -9.830  -1.677
  256   2HB   LEU  34          1HB       LEU  34  -5.450  -9.549  -3.108
  257    HG   LEU  34           HG       LEU  34  -3.711  -8.174  -4.108
  258   1HD1  LEU  34          1HD1      LEU  34  -2.689  -8.228  -1.344
  259   2HD1  LEU  34          3HD1      LEU  34  -1.446  -8.452  -2.575
  260   3HD1  LEU  34          2HD1      LEU  34  -2.465  -7.013  -2.602
  261   1HD2  LEU  34          1HD2      LEU  34  -2.944 -10.877  -3.034
  262   2HD2  LEU  34          3HD2      LEU  34  -3.317 -10.405  -4.691
  263   3HD2  LEU  34          2HD2      LEU  34  -1.773  -9.950  -3.971
  264    H    ILE  35           H        ILE  35  -3.942  -5.880  -2.821
  265    HA   ILE  35           HA       ILE  35  -6.019  -5.319  -4.888
  266    HB   ILE  35           HB       ILE  35  -4.721  -3.335  -3.004
  267   1HG1  ILE  35          2HG1      ILE  35  -7.574  -4.150  -3.622
  268   2HG1  ILE  35          1HG1      ILE  35  -6.719  -4.328  -2.090
  269   1HG2  ILE  35          3HG2      ILE  35  -4.695  -2.544  -5.385
  270   2HG2  ILE  35          2HG2      ILE  35  -6.446  -2.754  -5.429
  271   3HG2  ILE  35          1HG2      ILE  35  -5.727  -1.570  -4.338
  272   1HD1  ILE  35          3HD1      ILE  35  -6.543  -1.862  -1.916
  273   2HD1  ILE  35          2HD1      ILE  35  -7.445  -1.703  -3.422
  274   3HD1  ILE  35          1HD1      ILE  35  -8.224  -2.390  -1.997
  275    H    VAL  36           H        VAL  36  -2.680  -4.727  -3.789
  276    HA   VAL  36           HA       VAL  36  -1.713  -5.143  -6.524
  277    HB   VAL  36           HB       VAL  36  -2.372  -2.741  -6.536
  278   1HG1  VAL  36          2HG1      VAL  36  -1.985  -2.404  -4.077
  279   2HG1  VAL  36          1HG1      VAL  36  -0.250  -2.448  -4.390
  280   3HG1  VAL  36          3HG1      VAL  36  -1.237  -1.162  -5.082
  281   1HG2  VAL  36          1HG2      VAL  36   0.595  -3.369  -6.586
  282   2HG2  VAL  36          3HG2      VAL  36  -0.520  -3.394  -7.953
  283   3HG2  VAL  36          2HG2      VAL  36  -0.094  -1.863  -7.191
  284    H    ASP  37           H        ASP  37   0.456  -5.774  -6.513
  285    HA   ASP  37           HA       ASP  37   1.691  -5.998  -3.806
  286   1HB   ASP  37          2HB       ASP  37   1.873  -7.630  -6.322
  287   2HB   ASP  37          1HB       ASP  37   3.203  -7.670  -5.163
  288    H    ILE  38           H        ILE  38   3.948  -5.465  -3.574
  289    HA   ILE  38           HA       ILE  38   5.055  -3.807  -5.803
  290    HB   ILE  38           HB       ILE  38   5.442  -3.154  -2.877
  291   1HG1  ILE  38          2HG1      ILE  38   3.333  -2.110  -4.796
  292   2HG1  ILE  38          1HG1      ILE  38   3.039  -3.046  -3.330
  293   1HG2  ILE  38          3HG2      ILE  38   6.187  -1.991  -5.499
  294   2HG2  ILE  38          2HG2      ILE  38   5.613  -0.838  -4.295
  295   3HG2  ILE  38          1HG2      ILE  38   7.000  -1.866  -3.940
  296   1HD1  ILE  38          2HD1      ILE  38   4.453  -1.089  -2.214
  297   2HD1  ILE  38          1HD1      ILE  38   3.879  -0.191  -3.619
  298   3HD1  ILE  38          3HD1      ILE  38   2.722  -0.910  -2.499
  299    H    GLU  39           H        GLU  39   7.394  -3.775  -5.891
  300    HA   GLU  39           HA       GLU  39   8.667  -5.994  -4.338
  301   1HB   GLU  39          2HB       GLU  39   8.280  -6.067  -7.010
  302   2HB   GLU  39          1HB       GLU  39   9.822  -5.212  -6.965
  303   1HG   GLU  39          2HG       GLU  39  10.913  -6.991  -5.859
  304   2HG   GLU  39          1HG       GLU  39   9.390  -7.727  -5.359
  305    H    THR  40           H        THR  40  10.863  -5.629  -3.691
  306    HA   THR  40           HA       THR  40  11.849  -2.834  -4.056
  307    HB   THR  40           HB       THR  40  12.618  -2.930  -1.647
  308    HG1  THR  40           HG1      THR  40  12.452  -4.855  -0.840
  309   1HG2  THR  40          3HG2      THR  40  10.372  -1.940  -2.620
  310   2HG2  THR  40          2HG2      THR  40   9.638  -3.253  -1.697
  311   3HG2  THR  40          1HG2      THR  40  10.617  -2.036  -0.875
  312    H    ASP  41           H        ASP  41  14.215  -3.034  -2.666
  313    HA   ASP  41           HA       ASP  41  16.030  -4.167  -4.394
  314   1HB   ASP  41          2HB       ASP  41  16.559  -2.781  -2.346
  315   2HB   ASP  41          1HB       ASP  41  16.378  -4.250  -1.387
  316    H    LYS  42           H        LYS  42  15.254  -5.830  -1.320
  317    HA   LYS  42           HA       LYS  42  15.166  -8.394  -2.838
  318   1HB   LYS  42          2HB       LYS  42  16.843  -7.769  -0.397
  319   2HB   LYS  42          1HB       LYS  42  16.458  -9.418  -0.889
  320   1HG   LYS  42          2HG       LYS  42  17.309  -8.384  -3.259
  321   2HG   LYS  42          1HG       LYS  42  18.303  -7.463  -2.129
  322   1HD   LYS  42          2HD       LYS  42  18.220 -10.221  -1.302
  323   2HD   LYS  42          1HD       LYS  42  18.710 -10.128  -2.993
  324   1HE   LYS  42          2HE       LYS  42  20.711  -9.210  -2.471
  325   2HE   LYS  42          1HE       LYS  42  19.982  -8.079  -1.330
  326   1HZ   LYS  42          3HZ       LYS  42  19.937 -10.818  -0.447
  327   2HZ   LYS  42          2HZ       LYS  42  21.506 -10.200  -0.654
  328   3HZ   LYS  42          1HZ       LYS  42  20.412  -9.418   0.385
  329    H    VAL  43           H        VAL  43  13.132  -6.606  -1.531
  330    HA   VAL  43           HA       VAL  43  11.943  -8.704   0.223
  331    HB   VAL  43           HB       VAL  43  11.519  -5.803   0.870
  332   1HG1  VAL  43          3HG1      VAL  43  10.178  -7.591   1.958
  333   2HG1  VAL  43          2HG1      VAL  43  11.669  -8.325   2.551
  334   3HG1  VAL  43          1HG1      VAL  43  11.187  -6.727   3.118
  335   1HG2  VAL  43          2HG2      VAL  43  13.943  -7.485   1.540
  336   2HG2  VAL  43          1HG2      VAL  43  13.904  -5.862   0.852
  337   3HG2  VAL  43          3HG2      VAL  43  13.449  -6.116   2.538
  338    H    VAL  44           H        VAL  44   9.544  -8.451   0.389
  339    HA   VAL  44           HA       VAL  44   8.431  -7.060  -2.016
  340    HB   VAL  44           HB       VAL  44   8.421  -9.521  -2.286
  341   1HG1  VAL  44          2HG1      VAL  44   7.965  -9.566   0.424
  342   2HG1  VAL  44          1HG1      VAL  44   6.365  -9.937  -0.217
  343   3HG1  VAL  44          3HG1      VAL  44   7.745 -10.946  -0.651
  344   1HG2  VAL  44          3HG2      VAL  44   5.894  -7.940  -2.013
  345   2HG2  VAL  44          2HG2      VAL  44   6.619  -8.652  -3.455
  346   3HG2  VAL  44          1HG2      VAL  44   5.757  -9.674  -2.305
  347    H    MET  45           H        MET  45   6.604  -5.816  -1.661
  348    HA   MET  45           HA       MET  45   5.441  -5.894   1.094
  349   1HB   MET  45          2HB       MET  45   6.289  -3.530  -0.579
  350   2HB   MET  45          1HB       MET  45   5.072  -3.361   0.686
  351   1HG   MET  45          2HG       MET  45   6.788  -3.108   2.131
  352   2HG   MET  45          1HG       MET  45   7.100  -4.829   1.907
  353   1HE   MET  45          2HE       MET  45   7.264  -1.502   0.490
  354   2HE   MET  45          1HE       MET  45   8.861  -1.166   1.152
  355   3HE   MET  45          3HE       MET  45   8.655  -1.411  -0.588
  356    H    GLU  46           H        GLU  46   3.507  -6.912   0.626
  357    HA   GLU  46           HA       GLU  46   2.014  -6.383  -1.807
  358   1HB   GLU  46          2HB       GLU  46   1.211  -7.748   0.781
  359   2HB   GLU  46          1HB       GLU  46   0.230  -7.725  -0.685
  360   1HG   GLU  46          2HG       GLU  46   1.611  -9.186  -1.801
  361   2HG   GLU  46          1HG       GLU  46   3.059  -8.614  -0.970
  362    H    VAL  47           H        VAL  47  -0.251  -5.498  -1.737
  363    HA   VAL  47           HA       VAL  47  -0.573  -3.423   0.390
  364    HB   VAL  47           HB       VAL  47  -0.938  -3.081  -2.601
  365   1HG1  VAL  47          3HG1      VAL  47  -2.304  -1.823  -0.413
  366   2HG1  VAL  47          2HG1      VAL  47  -1.237  -0.638  -1.167
  367   3HG1  VAL  47          1HG1      VAL  47  -2.447  -1.478  -2.137
  368   1HG2  VAL  47          3HG2      VAL  47   1.012  -2.077  -0.540
  369   2HG2  VAL  47          2HG2      VAL  47   1.333  -2.719  -2.151
  370   3HG2  VAL  47          1HG2      VAL  47   0.664  -1.098  -1.965
  371    H    LEU  48           H        LEU  48  -2.350  -4.169   1.475
  372    HA   LEU  48           HA       LEU  48  -4.550  -5.447  -0.036
  373   1HB   LEU  48          2HB       LEU  48  -3.530  -5.592   2.660
  374   2HB   LEU  48          1HB       LEU  48  -5.245  -5.178   2.694
  375    HG   LEU  48           HG       LEU  48  -5.715  -7.085   1.174
  376   1HD1  LEU  48          3HD1      LEU  48  -3.330  -7.028   0.222
  377   2HD1  LEU  48          2HD1      LEU  48  -2.854  -7.932   1.660
  378   3HD1  LEU  48          1HD1      LEU  48  -4.018  -8.624   0.529
  379   1HD2  LEU  48          2HD2      LEU  48  -4.944  -7.173   3.911
  380   2HD2  LEU  48          1HD2      LEU  48  -6.036  -8.269   3.064
  381   3HD2  LEU  48          3HD2      LEU  48  -4.312  -8.633   3.150
  382    H    ALA  49           H        ALA  49  -6.837  -4.726   0.670
  383    HA   ALA  49           HA       ALA  49  -7.106  -1.903   0.081
  384   1HB   ALA  49          1HB       ALA  49  -8.748  -3.988  -0.297
  385   2HB   ALA  49          3HB       ALA  49  -9.389  -3.430   1.248
  386   3HB   ALA  49          2HB       ALA  49  -9.359  -2.342  -0.139
  387    H    GLU  50           H        GLU  50  -7.025  -0.259   1.532
  388    HA   GLU  50           HA       GLU  50  -6.882  -0.863   4.398
  389   1HB   GLU  50          2HB       GLU  50  -5.978   1.226   2.689
  390   2HB   GLU  50          1HB       GLU  50  -7.061   1.954   3.874
  391   1HG   GLU  50          2HG       GLU  50  -5.421   0.047   5.233
  392   2HG   GLU  50          1HG       GLU  50  -4.370   1.076   4.258
  393    H    ALA  51           H        ALA  51  -9.434  -0.737   2.418
  394    HA   ALA  51           HA       ALA  51 -11.442  -0.567   4.313
  395   1HB   ALA  51          2HB       ALA  51 -10.432   2.125   3.509
  396   2HB   ALA  51          1HB       ALA  51 -12.176   1.928   3.678
  397   3HB   ALA  51          3HB       ALA  51 -11.114   1.596   5.046
  398    H    ASP  52           H        ASP  52 -13.437  -0.900   3.322
  399    HA   ASP  52           HA       ASP  52 -13.578  -1.707   0.652
  400   1HB   ASP  52          2HB       ASP  52 -15.448  -2.366   1.816
  401   2HB   ASP  52          1HB       ASP  52 -15.593  -0.841   2.681
  402    H    GLY  53           H        GLY  53 -14.989  -0.589  -1.068
  403   1HA   GLY  53          2HA       GLY  53 -15.714   1.853  -1.652
  404   2HA   GLY  53          1HA       GLY  53 -14.016   2.222  -1.329
  405    H    VAL  54           H        VAL  54 -13.809   2.915  -3.571
  406    HA   VAL  54           HA       VAL  54 -13.369   0.598  -5.391
  407    HB   VAL  54           HB       VAL  54 -14.951   3.105  -6.009
  408   1HG1  VAL  54          2HG1      VAL  54 -13.184   1.574  -7.719
  409   2HG1  VAL  54          1HG1      VAL  54 -14.853   1.427  -8.273
  410   3HG1  VAL  54          3HG1      VAL  54 -14.117   3.021  -8.101
  411   1HG2  VAL  54          2HG2      VAL  54 -15.810   0.704  -5.082
  412   2HG2  VAL  54          1HG2      VAL  54 -16.767   1.716  -6.166
  413   3HG2  VAL  54          3HG2      VAL  54 -15.816   0.381  -6.816
  414    H    ILE  55           H        ILE  55 -11.337   0.714  -6.205
  415    HA   ILE  55           HA       ILE  55  -9.438   2.654  -5.612
  416    HB   ILE  55           HB       ILE  55  -9.444   1.323  -8.318
  417   1HG1  ILE  55          2HG1      ILE  55 -10.132  -0.478  -6.914
  418   2HG1  ILE  55          1HG1      ILE  55  -8.386  -0.645  -7.051
  419   1HG2  ILE  55          3HG2      ILE  55  -7.459   2.405  -6.373
  420   2HG2  ILE  55          2HG2      ILE  55  -6.982   0.987  -7.306
  421   3HG2  ILE  55          1HG2      ILE  55  -7.456   2.468  -8.135
  422   1HD1  ILE  55          3HD1      ILE  55  -8.375   0.890  -4.901
  423   2HD1  ILE  55          2HD1      ILE  55 -10.017   0.274  -4.711
  424   3HD1  ILE  55          1HD1      ILE  55  -8.654  -0.845  -4.751
  425    H    ALA  56           H        ALA  56  -8.363   4.154  -7.331
  426    HA   ALA  56           HA       ALA  56 -10.549   5.723  -8.633
  427   1HB   ALA  56          3HB       ALA  56  -7.827   6.632  -7.649
  428   2HB   ALA  56          2HB       ALA  56  -9.028   7.667  -8.420
  429   3HB   ALA  56          1HB       ALA  56  -9.367   6.941  -6.850
  430    H    GLU  57           H        GLU  57  -7.009   5.336  -9.058
  431    HA   GLU  57           HA       GLU  57  -7.271   4.281 -11.733
  432   1HB   GLU  57          2HB       GLU  57  -7.738   6.982 -11.646
  433   2HB   GLU  57          1HB       GLU  57  -5.999   6.936 -11.938
  434   1HG   GLU  57          2HG       GLU  57  -6.977   4.972 -13.637
  435   2HG   GLU  57          1HG       GLU  57  -8.202   6.238 -13.734
  436    H    ILE  58           H        ILE  58  -5.312   3.395 -12.354
  437    HA   ILE  58           HA       ILE  58  -3.037   3.840 -10.486
  438    HB   ILE  58           HB       ILE  58  -3.366   1.654 -12.559
  439   1HG1  ILE  58          2HG1      ILE  58  -5.194   1.407 -11.019
  440   2HG1  ILE  58          1HG1      ILE  58  -3.953   0.257 -10.510
  441   1HG2  ILE  58          3HG2      ILE  58  -1.064   2.265 -11.589
  442   2HG2  ILE  58          2HG2      ILE  58  -1.681   1.665 -10.050
  443   3HG2  ILE  58          1HG2      ILE  58  -1.565   0.582 -11.436
  444   1HD1  ILE  58          2HD1      ILE  58  -3.118   2.010  -8.894
  445   2HD1  ILE  58          1HD1      ILE  58  -4.537   2.973  -9.302
  446   3HD1  ILE  58          3HD1      ILE  58  -4.731   1.398  -8.532
  447    H    VAL  59           H        VAL  59  -1.264   4.937 -11.194
  448    HA   VAL  59           HA       VAL  59  -1.153   5.671 -14.072
  449    HB   VAL  59           HB       VAL  59   0.602   6.747 -11.857
  450   1HG1  VAL  59          2HG1      VAL  59   0.146   7.288 -14.703
  451   2HG1  VAL  59          1HG1      VAL  59   0.026   8.734 -13.701
  452   3HG1  VAL  59          3HG1      VAL  59   1.497   7.763 -13.673
  453   1HG2  VAL  59          3HG2      VAL  59  -1.957   6.913 -11.448
  454   2HG2  VAL  59          2HG2      VAL  59  -1.013   8.399 -11.350
  455   3HG2  VAL  59          1HG2      VAL  59  -1.955   8.047 -12.798
  456    H    LYS  60           H        LYS  60   0.625   3.939 -11.580
  457    HA   LYS  60           HA       LYS  60   2.911   3.499 -13.405
  458   1HB   LYS  60          2HB       LYS  60   2.491   3.426 -10.551
  459   2HB   LYS  60          1HB       LYS  60   3.155   1.884 -11.091
  460   1HG   LYS  60          2HG       LYS  60   5.132   3.038 -10.875
  461   2HG   LYS  60          1HG       LYS  60   4.727   3.527 -12.521
  462   1HD   LYS  60          2HD       LYS  60   3.593   5.141 -10.279
  463   2HD   LYS  60          1HD       LYS  60   5.309   5.330 -10.639
  464   1HE   LYS  60          2HE       LYS  60   3.560   5.316 -13.015
  465   2HE   LYS  60          1HE       LYS  60   3.308   6.683 -11.931
  466   1HZ   LYS  60          3HZ       LYS  60   5.944   5.826 -12.992
  467   2HZ   LYS  60          2HZ       LYS  60   5.022   7.112 -13.610
  468   3HZ   LYS  60          1HZ       LYS  60   5.643   7.190 -12.030
  469    H    ASN  61           H        ASN  61   2.774   1.860 -14.852
  470    HA   ASN  61           HA       ASN  61   0.804  -0.287 -14.481
  471   1HB   ASN  61          2HB       ASN  61   2.751   0.434 -16.674
  472   2HB   ASN  61          1HB       ASN  61   1.844  -1.079 -16.703
  473   1HD2  ASN  61          1HD2      ASN  61   1.661   2.295 -17.399
  474   2HD2  ASN  61          2HD2      ASN  61  -0.010   2.359 -17.733
  475    H    GLU  62           H        GLU  62   1.431  -2.572 -14.526
  476    HA   GLU  62           HA       GLU  62   3.471  -3.243 -12.679
  477   1HB   GLU  62          2HB       GLU  62   2.619  -5.166 -14.831
  478   2HB   GLU  62          1HB       GLU  62   2.952  -5.484 -13.128
  479   1HG   GLU  62          2HG       GLU  62   0.731  -5.351 -12.775
  480   2HG   GLU  62          1HG       GLU  62   0.867  -3.620 -13.091
  481    H    GLY  63           H        GLY  63   5.621  -3.885 -12.943
  482   1HA   GLY  63          2HA       GLY  63   7.605  -4.438 -14.153
  483   2HA   GLY  63          1HA       GLY  63   6.736  -4.138 -15.662
  484    H    ASP  64           H        ASP  64   6.231  -1.664 -13.398
  485    HA   ASP  64           HA       ASP  64   8.168   0.054 -14.874
  486   1HB   ASP  64          2HB       ASP  64   6.156   1.133 -15.147
  487   2HB   ASP  64          1HB       ASP  64   5.486   0.513 -13.638
  488    H    THR  65           H        THR  65   9.022   1.911 -13.452
  489    HA   THR  65           HA       THR  65   9.955   0.720 -10.873
  490    HB   THR  65           HB       THR  65  11.204   2.963 -12.490
  491    HG1  THR  65           HG1      THR  65  12.400   1.466 -13.419
  492   1HG2  THR  65          1HG2      THR  65  11.541   2.459  -9.853
  493   2HG2  THR  65          3HG2      THR  65  12.736   1.351 -10.527
  494   3HG2  THR  65          2HG2      THR  65  12.830   3.075 -10.888
  495    H    VAL  66           H        VAL  66   9.861   1.991  -8.973
  496    HA   VAL  66           HA       VAL  66   8.287   4.525  -9.221
  497    HB   VAL  66           HB       VAL  66   7.374   3.891  -6.917
  498   1HG1  VAL  66          2HG1      VAL  66   6.750   2.395  -9.459
  499   2HG1  VAL  66          1HG1      VAL  66   5.825   2.099  -7.986
  500   3HG1  VAL  66          3HG1      VAL  66   5.848   3.710  -8.704
  501   1HG2  VAL  66          3HG2      VAL  66   9.277   1.888  -7.107
  502   2HG2  VAL  66          2HG2      VAL  66   7.934   1.909  -5.964
  503   3HG2  VAL  66          1HG2      VAL  66   7.780   1.040  -7.492
  504    H    LEU  67           H        LEU  67   9.045   6.251  -8.001
  505    HA   LEU  67           HA       LEU  67  11.638   5.800  -6.608
  506   1HB   LEU  67          2HB       LEU  67  10.462   7.996  -8.173
  507   2HB   LEU  67          1HB       LEU  67  11.254   8.530  -6.690
  508    HG   LEU  67           HG       LEU  67  13.119   6.797  -7.540
  509   1HD1  LEU  67          1HD1      LEU  67  11.464   7.531  -9.925
  510   2HD1  LEU  67          3HD1      LEU  67  13.213   7.423 -10.121
  511   3HD1  LEU  67          2HD1      LEU  67  12.299   6.020  -9.566
  512   1HD2  LEU  67          2HD2      LEU  67  12.675   9.656  -7.691
  513   2HD2  LEU  67          1HD2      LEU  67  14.181   8.783  -7.404
  514   3HD2  LEU  67          3HD2      LEU  67  13.656   9.117  -9.054
  515    H    SER  68           H        SER  68  11.807   7.747  -4.798
  516    HA   SER  68           HA       SER  68  10.095   6.892  -2.665
  517   1HB   SER  68          2HB       SER  68  12.442   8.124  -2.654
  518   2HB   SER  68          1HB       SER  68  11.439   9.570  -2.587
  519    HG   SER  68           HG       SER  68  12.006   8.652  -0.509
  520    H    GLY  69           H        GLY  69   8.005   7.456  -2.327
  521   1HA   GLY  69          2HA       GLY  69   6.118   8.873  -2.143
  522   2HA   GLY  69          1HA       GLY  69   7.101  10.203  -2.756
  523    H    GLU  70           H        GLU  70   6.825   7.117  -4.418
  524    HA   GLU  70           HA       GLU  70   5.840   8.515  -6.806
  525   1HB   GLU  70          2HB       GLU  70   7.570   6.613  -6.782
  526   2HB   GLU  70          1HB       GLU  70   6.206   5.531  -6.494
  527   1HG   GLU  70          2HG       GLU  70   6.684   5.669  -8.899
  528   2HG   GLU  70          1HG       GLU  70   5.111   6.384  -8.547
  529    H    LEU  71           H        LEU  71   3.682   9.033  -6.672
  530    HA   LEU  71           HA       LEU  71   1.729   7.462  -5.265
  531   1HB   LEU  71          2HB       LEU  71   1.489   9.899  -5.855
  532   2HB   LEU  71          1HB       LEU  71   1.233   9.415  -7.531
  533    HG   LEU  71           HG       LEU  71  -0.458   7.845  -5.801
  534   1HD1  LEU  71          3HD1      LEU  71  -0.171   9.903  -4.342
  535   2HD1  LEU  71          2HD1      LEU  71  -0.922  10.833  -5.639
  536   3HD1  LEU  71          1HD1      LEU  71  -1.832   9.560  -4.825
  537   1HD2  LEU  71          2HD2      LEU  71  -0.493   8.967  -8.339
  538   2HD2  LEU  71          1HD2      LEU  71  -1.847   8.141  -7.568
  539   3HD2  LEU  71          3HD2      LEU  71  -1.717   9.898  -7.476
  540    H    LEU  72           H        LEU  72   0.943   5.516  -5.891
  541    HA   LEU  72           HA       LEU  72   1.221   4.710  -8.735
  542   1HB   LEU  72          2HB       LEU  72   0.345   3.059  -6.344
  543   2HB   LEU  72          1HB       LEU  72   0.777   2.449  -7.942
  544    HG   LEU  72           HG       LEU  72   2.904   4.123  -6.970
  545   1HD1  LEU  72          1HD1      LEU  72   1.550   2.629  -4.915
  546   2HD1  LEU  72          3HD1      LEU  72   3.149   1.933  -5.181
  547   3HD1  LEU  72          2HD1      LEU  72   2.988   3.641  -4.774
  548   1HD2  LEU  72          2HD2      LEU  72   2.477   1.666  -8.334
  549   2HD2  LEU  72          1HD2      LEU  72   4.000   2.533  -8.130
  550   3HD2  LEU  72          3HD2      LEU  72   3.517   1.310  -6.954
  551    H    GLY  73           H        GLY  73  -1.156   5.775  -6.476
  552   1HA   GLY  73          2HA       GLY  73  -3.206   6.177  -8.320
  553   2HA   GLY  73          1HA       GLY  73  -3.454   4.530  -7.728
  554    H    LYS  74           H        LYS  74  -5.500   6.004  -7.074
  555    HA   LYS  74           HA       LYS  74  -5.092   6.599  -4.188
  556   1HB   LYS  74          2HB       LYS  74  -6.099   8.468  -6.297
  557   2HB   LYS  74          1HB       LYS  74  -6.847   8.534  -4.700
  558   1HG   LYS  74          2HG       LYS  74  -4.137   8.395  -4.122
  559   2HG   LYS  74          1HG       LYS  74  -4.193   9.433  -5.547
  560   1HD   LYS  74          2HD       LYS  74  -6.338  10.160  -3.777
  561   2HD   LYS  74          1HD       LYS  74  -4.826  10.135  -2.869
  562   1HE   LYS  74          2HE       LYS  74  -3.911  11.859  -4.075
  563   2HE   LYS  74          1HE       LYS  74  -4.739  11.397  -5.562
  564   1HZ   LYS  74          2HZ       LYS  74  -6.639  12.147  -3.626
  565   2HZ   LYS  74          1HZ       LYS  74  -5.470  13.375  -3.752
  566   3HZ   LYS  74          3HZ       LYS  74  -6.316  12.866  -5.132
  567    H    LEU  75           H        LEU  75  -7.033   6.317  -2.931
  568    HA   LEU  75           HA       LEU  75  -8.967   4.488  -4.227
  569   1HB   LEU  75          2HB       LEU  75  -7.856   4.022  -1.965
  570   2HB   LEU  75          1HB       LEU  75  -8.893   5.292  -1.312
  571    HG   LEU  75           HG       LEU  75 -10.609   3.685  -2.839
  572   1HD1  LEU  75          2HD1      LEU  75  -8.660   2.028  -1.210
  573   2HD1  LEU  75          1HD1      LEU  75 -10.208   1.431  -1.808
  574   3HD1  LEU  75          3HD1      LEU  75  -8.950   1.912  -2.946
  575   1HD2  LEU  75          2HD2      LEU  75 -10.412   4.740  -0.262
  576   2HD2  LEU  75          1HD2      LEU  75 -11.785   3.846  -0.914
  577   3HD2  LEU  75          3HD2      LEU  75 -10.535   3.000  -0.001
  578    H    THR  76           H        THR  76 -11.252   4.881  -4.138
  579    HA   THR  76           HA       THR  76 -11.916   7.777  -4.011
  580    HB   THR  76           HB       THR  76 -13.694   5.546  -5.017
  581    HG1  THR  76           HG1      THR  76 -12.182   7.134  -6.740
  582   1HG2  THR  76          1HG2      THR  76 -13.679   8.523  -5.062
  583   2HG2  THR  76          3HG2      THR  76 -14.266   7.704  -6.509
  584   3HG2  THR  76          2HG2      THR  76 -15.039   7.406  -4.952
  585    H    GLU  77           H        GLU  77 -14.260   8.175  -3.165
  586    HA   GLU  77           HA       GLU  77 -14.357   7.203  -0.428
  587   1HB   GLU  77          2HB       GLU  77 -16.095   9.008  -2.104
  588   2HB   GLU  77          1HB       GLU  77 -16.628   8.477  -0.507
  589   1HG   GLU  77          2HG       GLU  77 -14.122   9.239   0.117
  590   2HG   GLU  77          1HG       GLU  77 -14.411  10.319  -1.247
  591    H    GLY  78           H        GLY  78 -17.001   6.743   0.119
  592   1HA   GLY  78          2HA       GLY  78 -18.762   5.296  -1.248
  593   2HA   GLY  78          1HA       GLY  78 -17.431   4.138  -1.236
  594    H    GLY  79           HN       GLY  79 -19.807   5.786   0.757
  595   1HA   GLY  79          2HA       GLY  79 -18.926   4.694   3.278
  596   2HA   GLY  79          1HA       GLY  79 -20.526   5.366   2.956
   
  No H/Q in entry =         596
  Start of MODEL    5
    1   1H    ALA   1          2H        ALA   1  -9.567   4.897   1.652
    2   2H    ALA   1          1H        ALA   1 -11.184   5.265   2.023
    3   3H    ALA   1          3H        ALA   1 -10.702   5.108   0.405
    4    HA   ALA   1           HA       ALA   1 -10.265   7.260   0.308
    5   1HB   ALA   1          2HB       ALA   1 -11.997   7.307   2.188
    6   2HB   ALA   1          1HB       ALA   1 -10.639   7.428   3.306
    7   3HB   ALA   1          3HB       ALA   1 -10.912   8.695   2.109
    8    H    ILE   2           H        ILE   2  -8.006   5.831   0.266
    9    HA   ILE   2           HA       ILE   2  -6.142   7.436   1.962
   10    HB   ILE   2           HB       ILE   2  -4.676   5.341   1.992
   11   1HG1  ILE   2          2HG1      ILE   2  -7.203   3.788   1.576
   12   2HG1  ILE   2          1HG1      ILE   2  -6.326   4.346   0.151
   13   1HG2  ILE   2          2HG2      ILE   2  -7.357   5.393   3.406
   14   2HG2  ILE   2          1HG2      ILE   2  -6.048   4.292   3.837
   15   3HG2  ILE   2          3HG2      ILE   2  -5.825   6.034   4.000
   16   1HD1  ILE   2          3HD1      ILE   2  -4.233   3.361   1.395
   17   2HD1  ILE   2          2HD1      ILE   2  -5.437   2.431   2.287
   18   3HD1  ILE   2          1HD1      ILE   2  -5.321   2.274   0.534
   19    H    ASP   3           H        ASP   3  -3.791   7.081   0.986
   20    HA   ASP   3           HA       ASP   3  -4.052   7.299  -1.988
   21   1HB   ASP   3          2HB       ASP   3  -3.464   9.449  -0.960
   22   2HB   ASP   3          1HB       ASP   3  -2.101   8.692  -0.126
   23    H    ILE   4           H        ILE   4  -2.708   6.005  -3.202
   24    HA   ILE   4           HA       ILE   4  -0.938   4.152  -1.692
   25    HB   ILE   4           HB       ILE   4  -1.993   4.036  -4.534
   26   1HG1  ILE   4          2HG1      ILE   4  -2.646   2.342  -2.101
   27   2HG1  ILE   4          1HG1      ILE   4  -3.660   3.657  -2.698
   28   1HG2  ILE   4          3HG2      ILE   4   0.283   2.803  -3.410
   29   2HG2  ILE   4          2HG2      ILE   4  -0.964   1.557  -3.458
   30   3HG2  ILE   4          1HG2      ILE   4  -0.500   2.399  -4.937
   31   1HD1  ILE   4          2HD1      ILE   4  -3.258   2.213  -4.989
   32   2HD1  ILE   4          1HD1      ILE   4  -3.286   0.934  -3.775
   33   3HD1  ILE   4          3HD1      ILE   4  -4.659   2.029  -3.933
   34    H    LYS   5           H        LYS   5   0.596   6.072  -1.499
   35    HA   LYS   5           HA       LYS   5   2.117   6.530  -4.025
   36   1HB   LYS   5          2HB       LYS   5   3.029   8.497  -2.967
   37   2HB   LYS   5          1HB       LYS   5   1.287   8.516  -2.692
   38   1HG   LYS   5          2HG       LYS   5   1.588   7.606  -0.449
   39   2HG   LYS   5          1HG       LYS   5   3.325   7.448  -0.718
   40   1HD   LYS   5          2HD       LYS   5   3.707   9.664  -0.372
   41   2HD   LYS   5          1HD       LYS   5   2.243  10.148  -1.230
   42   1HE   LYS   5          2HE       LYS   5   1.262   8.865   1.027
   43   2HE   LYS   5          1HE       LYS   5   2.665   9.742   1.637
   44   1HZ   LYS   5          1HZ       LYS   5   0.691  11.044  -0.131
   45   2HZ   LYS   5          3HZ       LYS   5   0.446  10.962   1.545
   46   3HZ   LYS   5          2HZ       LYS   5   1.810  11.765   0.925
   47    H    ALA   6           H        ALA   6   4.500   6.460  -3.860
   48    HA   ALA   6           HA       ALA   6   5.374   4.136  -2.331
   49   1HB   ALA   6          3HB       ALA   6   6.790   6.075  -4.171
   50   2HB   ALA   6          2HB       ALA   6   7.639   4.772  -3.338
   51   3HB   ALA   6          1HB       ALA   6   6.360   4.395  -4.492
   52    HA   PRO   7           HA       PRO   7   6.834   6.335   1.188
   53   1HB   PRO   7          2HB       PRO   7   8.539   4.403   2.146
   54   2HB   PRO   7          1HB       PRO   7   6.776   4.311   2.292
   55   1HG   PRO   7          2HG       PRO   7   8.589   2.804   0.465
   56   2HG   PRO   7          1HG       PRO   7   6.997   2.347   1.094
   57   1HD   PRO   7          2HD       PRO   7   7.531   3.344  -1.502
   58   2HD   PRO   7          1HD       PRO   7   5.927   3.193  -0.748
   59    H    THR   8           H        THR   8   8.866   7.250   2.078
   60    HA   THR   8           HA       THR   8  10.720   8.036  -0.001
   61    HB   THR   8           HB       THR   8  11.046   8.365   2.995
   62    HG1  THR   8           HG1      THR   8   9.578   9.812   1.067
   63   1HG2  THR   8          1HG2      THR   8  12.744   8.975   0.872
   64   2HG2  THR   8          3HG2      THR   8  11.942  10.504   1.231
   65   3HG2  THR   8          2HG2      THR   8  12.827   9.653   2.498
   66    H    PHE   9           H        PHE   9  11.659   6.054  -0.745
   67    HA   PHE   9           HA       PHE   9  12.752   3.962   0.696
   68   1HB   PHE   9          2HB       PHE   9  14.108   5.313  -1.661
   69   2HB   PHE   9          1HB       PHE   9  14.337   3.640  -1.135
   70    HD1  PHE   9           HD1      PHE   9  11.805   2.520  -0.639
   71    HD2  PHE   9           HD2      PHE   9  12.835   5.456  -3.603
   72    HE1  PHE   9           HE1      PHE   9   9.857   1.821  -2.008
   73    HE2  PHE   9           HE2      PHE   9  10.887   4.757  -4.973
   74    HZ   PHE   9           HZ       PHE   9   9.398   2.940  -4.175
   75    HA   PRO  10           HA       PRO  10  15.964   5.722   3.131
   76   1HB   PRO  10          2HB       PRO  10  17.346   3.403   3.651
   77   2HB   PRO  10          1HB       PRO  10  15.813   3.825   4.434
   78   1HG   PRO  10          2HG       PRO  10  16.334   1.822   2.287
   79   2HG   PRO  10          1HG       PRO  10  15.045   1.855   3.503
   80   1HD   PRO  10          2HD       PRO  10  14.780   2.598   0.783
   81   2HD   PRO  10          1HD       PRO  10  13.608   2.933   2.078
   82    H    GLU  11           H        GLU  11  18.614   4.737   3.244
   83    HA   GLU  11           HA       GLU  11  19.709   5.887   0.797
   84   1HB   GLU  11          2HB       GLU  11  20.771   6.226   3.023
   85   2HB   GLU  11          1HB       GLU  11  21.134   4.502   3.090
   86   1HG   GLU  11          2HG       GLU  11  22.405   4.758   0.932
   87   2HG   GLU  11          1HG       GLU  11  22.170   6.502   1.064
   88    H    SER  12           H        SER  12  20.144   2.692   2.371
   89    HA   SER  12           HA       SER  12  21.531   1.346   0.414
   90   1HB   SER  12          2HB       SER  12  21.046  -0.004   2.239
   91   2HB   SER  12          1HB       SER  12  19.355   0.497   2.289
   92    HG   SER  12           HG       SER  12  19.158  -1.409   1.352
   93    H    ILE  13           H        ILE  13  17.953   1.550   0.505
   94    HA   ILE  13           HA       ILE  13  17.866   0.681  -2.321
   95    HB   ILE  13           HB       ILE  13  15.636   1.328  -0.367
   96   1HG1  ILE  13          2HG1      ILE  13  15.839  -1.423  -1.237
   97   2HG1  ILE  13          1HG1      ILE  13  17.368  -0.900  -0.532
   98   1HG2  ILE  13          1HG2      ILE  13  15.677   0.271  -3.197
   99   2HG2  ILE  13          3HG2      ILE  13  14.318  -0.032  -2.115
  100   3HG2  ILE  13          2HG2      ILE  13  14.747   1.623  -2.548
  101   1HD1  ILE  13          1HD1      ILE  13  15.404   0.171   1.156
  102   2HD1  ILE  13          3HD1      ILE  13  14.839  -1.457   0.786
  103   3HD1  ILE  13          2HD1      ILE  13  16.435  -1.219   1.495
  104    H    ALA  14           H        ALA  14  17.479   2.076  -4.001
  105    HA   ALA  14           HA       ALA  14  16.924   4.926  -3.280
  106   1HB   ALA  14          2HB       ALA  14  18.979   3.740  -4.898
  107   2HB   ALA  14          1HB       ALA  14  17.953   4.743  -5.926
  108   3HB   ALA  14          3HB       ALA  14  18.736   5.443  -4.508
  109    H    ASP  15           H        ASP  15  15.263   2.376  -4.218
  110    HA   ASP  15           HA       ASP  15  13.084   3.735  -5.343
  111   1HB   ASP  15          2HB       ASP  15  13.432   2.768  -7.775
  112   2HB   ASP  15          1HB       ASP  15  14.150   4.317  -7.332
  113    H    GLY  16           H        GLY  16  11.893   1.932  -6.989
  114   1HA   GLY  16          2HA       GLY  16  12.349  -0.802  -6.019
  115   2HA   GLY  16          1HA       GLY  16  10.849  -0.065  -5.454
  116    H    THR  17           H        THR  17   9.949  -1.946  -6.774
  117    HA   THR  17           HA       THR  17   9.263  -0.928  -9.461
  118    HB   THR  17           HB       THR  17  10.450  -3.687  -9.026
  119    HG1  THR  17           HG1      THR  17  12.028  -2.803 -10.503
  120   1HG2  THR  17          2HG2      THR  17   8.617  -2.731 -10.969
  121   2HG2  THR  17          1HG2      THR  17  10.180  -2.886 -11.770
  122   3HG2  THR  17          3HG2      THR  17   9.465  -4.277 -10.956
  123    H    VAL  18           H        VAL  18   7.096  -1.182  -9.707
  124    HA   VAL  18           HA       VAL  18   5.344  -2.240  -7.836
  125    HB   VAL  18           HB       VAL  18   4.959  -2.362 -10.843
  126   1HG1  VAL  18          3HG1      VAL  18   3.196  -2.733  -8.469
  127   2HG1  VAL  18          2HG1      VAL  18   2.529  -1.831  -9.829
  128   3HG1  VAL  18          1HG1      VAL  18   3.105  -3.480 -10.064
  129   1HG2  VAL  18          1HG2      VAL  18   4.867  -0.144  -8.837
  130   2HG2  VAL  18          3HG2      VAL  18   5.383  -0.108 -10.523
  131   3HG2  VAL  18          2HG2      VAL  18   3.665  -0.140 -10.127
  132    H    ALA  19           H        ALA  19   4.083  -4.280  -7.848
  133    HA   ALA  19           HA       ALA  19   5.805  -6.565  -8.696
  134   1HB   ALA  19          2HB       ALA  19   5.214  -6.307  -6.249
  135   2HB   ALA  19          1HB       ALA  19   3.533  -6.598  -6.693
  136   3HB   ALA  19          3HB       ALA  19   4.743  -7.853  -6.954
  137    H    THR  20           H        THR  20   2.298  -6.278  -8.065
  138    HA   THR  20           HA       THR  20   1.651  -6.842 -10.861
  139    HB   THR  20           HB       THR  20   1.225  -8.940  -8.716
  140    HG1  THR  20           HG1      THR  20   3.163  -9.245  -9.641
  141   1HG2  THR  20          1HG2      THR  20  -0.148  -8.415 -11.303
  142   2HG2  THR  20          3HG2      THR  20   0.267 -10.091 -10.945
  143   3HG2  THR  20          2HG2      THR  20  -0.762  -9.182  -9.839
  144    H    TRP  21           H        TRP  21  -0.337  -5.958 -11.282
  145    HA   TRP  21           HA       TRP  21  -1.883  -4.908  -9.010
  146   1HB   TRP  21          2HB       TRP  21  -1.734  -4.434 -11.952
  147   2HB   TRP  21          1HB       TRP  21  -3.264  -4.097 -11.148
  148    HD1  TRP  21           HD1      TRP  21   0.225  -2.785 -11.578
  149    HE1  TRP  21           HE1      TRP  21   0.492  -0.587 -10.246
  150    HE3  TRP  21           HE3      TRP  21  -4.113  -2.835  -8.881
  151    HZ2  TRP  21           HZ2      TRP  21  -0.918   0.929  -8.325
  152    HZ3  TRP  21           HZ3      TRP  21  -4.628  -0.992  -7.299
  153    HH2  TRP  21           HH2      TRP  21  -3.035   0.893  -7.016
  154    H    HIS  22           H        HIS  22  -2.709  -6.963  -8.230
  155    HA   HIS  22           HA       HIS  22  -3.998  -8.991  -9.621
  156   1HB   HIS  22          2HB       HIS  22  -5.462  -7.932  -7.229
  157   2HB   HIS  22          1HB       HIS  22  -5.056  -9.600  -7.648
  158    HD1  HIS  22           HD1      HIS  22  -3.536  -6.452  -6.240
  159    HD2  HIS  22           HD2      HIS  22  -2.547 -10.475  -6.690
  160    HE1  HIS  22           HE1      HIS  22  -1.364  -6.792  -5.016
  161    H    LYS  23           H        LYS  23  -5.787  -6.168  -8.318
  162    HA   LYS  23           HA       LYS  23  -7.841  -6.637 -10.421
  163   1HB   LYS  23          2HB       LYS  23  -7.906  -4.878  -7.949
  164   2HB   LYS  23          1HB       LYS  23  -9.250  -5.116  -9.066
  165   1HG   LYS  23          2HG       LYS  23  -9.840  -7.000  -7.994
  166   2HG   LYS  23          1HG       LYS  23  -8.242  -7.685  -8.287
  167   1HD   LYS  23          2HD       LYS  23  -7.372  -6.813  -6.260
  168   2HD   LYS  23          1HD       LYS  23  -8.730  -5.703  -6.062
  169   1HE   LYS  23          2HE       LYS  23  -9.873  -7.260  -4.910
  170   2HE   LYS  23          1HE       LYS  23  -9.739  -8.387  -6.260
  171   1HZ   LYS  23          3HZ       LYS  23  -7.374  -7.985  -4.594
  172   2HZ   LYS  23          2HZ       LYS  23  -8.655  -8.880  -3.927
  173   3HZ   LYS  23          1HZ       LYS  23  -7.925  -9.387  -5.374
  174    H    LYS  24           H        LYS  24  -8.865  -4.393 -11.141
  175    HA   LYS  24           HA       LYS  24  -6.585  -2.593 -11.867
  176   1HB   LYS  24          2HB       LYS  24  -8.677  -3.871 -13.482
  177   2HB   LYS  24          1HB       LYS  24  -8.556  -2.132 -13.753
  178   1HG   LYS  24          2HG       LYS  24  -5.976  -2.603 -13.856
  179   2HG   LYS  24          1HG       LYS  24  -6.480  -4.260 -14.187
  180   1HD   LYS  24          2HD       LYS  24  -8.100  -2.570 -15.795
  181   2HD   LYS  24          1HD       LYS  24  -6.436  -2.015 -15.980
  182   1HE   LYS  24          2HE       LYS  24  -6.070  -3.744 -17.374
  183   2HE   LYS  24          1HE       LYS  24  -6.319  -4.837 -16.012
  184   1HZ   LYS  24          1HZ       LYS  24  -8.736  -3.772 -17.192
  185   2HZ   LYS  24          3HZ       LYS  24  -7.846  -4.800 -18.205
  186   3HZ   LYS  24          2HZ       LYS  24  -8.375  -5.354 -16.688
  187    HA   PRO  25           HA       PRO  25  -8.855   0.783 -10.231
  188   1HB   PRO  25          2HB       PRO  25  -8.281   2.763 -12.051
  189   2HB   PRO  25          1HB       PRO  25  -7.113   2.153 -10.866
  190   1HG   PRO  25          2HG       PRO  25  -7.259   1.629 -13.801
  191   2HG   PRO  25          1HG       PRO  25  -5.850   1.618 -12.729
  192   1HD   PRO  25          2HD       PRO  25  -7.207  -0.668 -13.679
  193   2HD   PRO  25          1HD       PRO  25  -6.050  -0.632 -12.332
  194    H    GLY  26           H        GLY  26 -11.086   0.573 -10.350
  195   1HA   GLY  26          2HA       GLY  26 -12.895   1.945 -11.675
  196   2HA   GLY  26          1HA       GLY  26 -12.399   0.892 -13.004
  197    H    GLU  27           H        GLU  27 -11.948  -1.108 -10.559
  198    HA   GLU  27           HA       GLU  27 -14.683  -2.243 -10.798
  199   1HB   GLU  27          2HB       GLU  27 -12.141  -3.478  -9.695
  200   2HB   GLU  27          1HB       GLU  27 -13.670  -4.319  -9.961
  201   1HG   GLU  27          2HG       GLU  27 -13.026  -2.994 -12.389
  202   2HG   GLU  27          1HG       GLU  27 -11.560  -3.810 -11.845
  203    H    ALA  28           H        ALA  28 -14.983  -3.688  -8.534
  204    HA   ALA  28           HA       ALA  28 -15.019  -1.584  -6.418
  205   1HB   ALA  28          3HB       ALA  28 -16.885  -3.725  -7.239
  206   2HB   ALA  28          2HB       ALA  28 -16.673  -3.557  -5.495
  207   3HB   ALA  28          1HB       ALA  28 -17.219  -2.180  -6.455
  208    H    VAL  29           H        VAL  29 -14.477  -2.238  -4.228
  209    HA   VAL  29           HA       VAL  29 -13.035  -4.832  -3.993
  210    HB   VAL  29           HB       VAL  29 -11.405  -2.980  -4.535
  211   1HG1  VAL  29          1HG1      VAL  29 -12.963  -1.529  -2.762
  212   2HG1  VAL  29          3HG1      VAL  29 -11.524  -1.899  -1.811
  213   3HG1  VAL  29          2HG1      VAL  29 -11.370  -1.051  -3.349
  214   1HG2  VAL  29          2HG2      VAL  29 -11.362  -4.872  -2.327
  215   2HG2  VAL  29          1HG2      VAL  29 -10.067  -4.433  -3.441
  216   3HG2  VAL  29          3HG2      VAL  29 -10.339  -3.477  -1.984
  217    H    LYS  30           H        LYS  30 -12.996  -5.648  -1.839
  218    HA   LYS  30           HA       LYS  30 -14.804  -4.182   0.042
  219   1HB   LYS  30          2HB       LYS  30 -14.270  -7.165  -0.117
  220   2HB   LYS  30          1HB       LYS  30 -15.420  -6.366   0.957
  221   1HG   LYS  30          2HG       LYS  30 -16.810  -7.025  -0.797
  222   2HG   LYS  30          1HG       LYS  30 -16.391  -5.382  -1.281
  223   1HD   LYS  30          2HD       LYS  30 -15.095  -6.083  -3.029
  224   2HD   LYS  30          1HD       LYS  30 -14.512  -7.503  -2.159
  225   1HE   LYS  30          2HE       LYS  30 -15.965  -8.748  -3.343
  226   2HE   LYS  30          1HE       LYS  30 -17.278  -7.913  -2.513
  227   1HZ   LYS  30          1HZ       LYS  30 -16.994  -6.119  -4.236
  228   2HZ   LYS  30          3HZ       LYS  30 -16.011  -7.203  -5.094
  229   3HZ   LYS  30          2HZ       LYS  30 -17.639  -7.588  -4.796
  230    H    ARG  31           H        ARG  31 -14.039  -3.785   2.101
  231    HA   ARG  31           HA       ARG  31 -11.367  -3.577   2.719
  232   1HB   ARG  31          2HB       ARG  31 -13.015  -2.657   4.219
  233   2HB   ARG  31          1HB       ARG  31 -13.660  -4.261   4.574
  234   1HG   ARG  31          2HG       ARG  31 -11.640  -4.907   5.714
  235   2HG   ARG  31          1HG       ARG  31 -10.804  -3.451   5.174
  236   1HD   ARG  31          2HD       ARG  31 -12.206  -2.046   6.536
  237   2HD   ARG  31          1HD       ARG  31 -13.282  -3.391   6.914
  238    HE   ARG  31           HE       ARG  31 -11.493  -4.342   8.307
  239   1HH1  ARG  31          1HH2      ARG  31  -8.969  -3.793   8.102
  240   2HH1  ARG  31          2HH2      ARG  31  -8.629  -2.232   8.771
  241   1HH2  ARG  31          2HH1      ARG  31 -11.935  -1.192   8.714
  242   2HH2  ARG  31          1HH1      ARG  31 -10.308  -0.760   9.119
  243    H    ASP  32           H        ASP  32  -9.814  -4.915   3.789
  244    HA   ASP  32           HA       ASP  32  -8.799  -6.943   4.423
  245   1HB   ASP  32          2HB       ASP  32 -11.085  -7.285   5.572
  246   2HB   ASP  32          1HB       ASP  32 -11.497  -8.275   4.171
  247    H    GLU  33           H        GLU  33  -8.875  -6.108   1.709
  248    HA   GLU  33           HA       GLU  33  -8.688  -8.765   0.390
  249   1HB   GLU  33          2HB       GLU  33 -10.921  -7.539  -0.102
  250   2HB   GLU  33          1HB       GLU  33  -9.935  -6.432  -1.058
  251   1HG   GLU  33          2HG       GLU  33 -10.188  -7.921  -2.744
  252   2HG   GLU  33          1HG       GLU  33  -9.023  -8.915  -1.869
  253    H    LEU  34           H        LEU  34  -6.715  -8.904  -0.559
  254    HA   LEU  34           HA       LEU  34  -4.716  -7.013  -0.544
  255   1HB   LEU  34          2HB       LEU  34  -4.424  -9.378  -1.270
  256   2HB   LEU  34          1HB       LEU  34  -5.200  -8.978  -2.803
  257    HG   LEU  34           HG       LEU  34  -3.443  -7.336  -3.290
  258   1HD1  LEU  34          1HD1      LEU  34  -2.952  -7.639  -0.468
  259   2HD1  LEU  34          3HD1      LEU  34  -1.474  -8.001  -1.359
  260   3HD1  LEU  34          2HD1      LEU  34  -2.278  -6.447  -1.581
  261   1HD2  LEU  34          3HD2      LEU  34  -2.490 -10.097  -2.479
  262   2HD2  LEU  34          2HD2      LEU  34  -2.997  -9.566  -4.083
  263   3HD2  LEU  34          1HD2      LEU  34  -1.491  -8.962  -3.389
  264    H    ILE  35           H        ILE  35  -3.793  -5.722  -2.408
  265    HA   ILE  35           HA       ILE  35  -5.882  -4.754  -4.295
  266    HB   ILE  35           HB       ILE  35  -4.195  -3.000  -2.483
  267   1HG1  ILE  35          2HG1      ILE  35  -6.280  -4.074  -1.526
  268   2HG1  ILE  35          1HG1      ILE  35  -6.308  -2.309  -1.538
  269   1HG2  ILE  35          2HG2      ILE  35  -5.193  -2.504  -5.103
  270   2HG2  ILE  35          1HG2      ILE  35  -6.193  -1.585  -3.979
  271   3HG2  ILE  35          3HG2      ILE  35  -4.445  -1.354  -3.996
  272   1HD1  ILE  35          2HD1      ILE  35  -7.321  -3.379  -4.040
  273   2HD1  ILE  35          1HD1      ILE  35  -8.225  -4.017  -2.667
  274   3HD1  ILE  35          3HD1      ILE  35  -8.098  -2.274  -2.905
  275    H    VAL  36           H        VAL  36  -2.446  -4.557  -3.338
  276    HA   VAL  36           HA       VAL  36  -1.590  -5.155  -6.046
  277    HB   VAL  36           HB       VAL  36  -2.162  -2.796  -6.377
  278   1HG1  VAL  36          1HG1      VAL  36  -0.307  -2.342  -4.019
  279   2HG1  VAL  36          3HG1      VAL  36  -0.960  -1.061  -5.042
  280   3HG1  VAL  36          2HG1      VAL  36  -2.045  -2.043  -4.057
  281   1HG2  VAL  36          1HG2      VAL  36   0.690  -3.688  -6.339
  282   2HG2  VAL  36          3HG2      VAL  36  -0.317  -3.212  -7.706
  283   3HG2  VAL  36          2HG2      VAL  36   0.375  -1.981  -6.649
  284    H    ASP  37           H        ASP  37   0.483  -5.976  -5.978
  285    HA   ASP  37           HA       ASP  37   1.826  -5.933  -3.327
  286   1HB   ASP  37          2HB       ASP  37   1.986  -7.720  -5.744
  287   2HB   ASP  37          1HB       ASP  37   3.295  -7.709  -4.562
  288    H    ILE  38           H        ILE  38   4.091  -5.402  -3.182
  289    HA   ILE  38           HA       ILE  38   5.076  -3.765  -5.486
  290    HB   ILE  38           HB       ILE  38   5.949  -3.289  -2.646
  291   1HG1  ILE  38          2HG1      ILE  38   3.472  -3.278  -2.628
  292   2HG1  ILE  38          1HG1      ILE  38   4.118  -1.652  -2.407
  293   1HG2  ILE  38          1HG2      ILE  38   6.091  -1.950  -5.279
  294   2HG2  ILE  38          3HG2      ILE  38   5.727  -0.884  -3.922
  295   3HG2  ILE  38          2HG2      ILE  38   7.197  -1.858  -3.908
  296   1HD1  ILE  38          1HD1      ILE  38   3.623  -2.505  -5.212
  297   2HD1  ILE  38          3HD1      ILE  38   2.197  -2.217  -4.215
  298   3HD1  ILE  38          2HD1      ILE  38   3.380  -0.931  -4.455
  299    H    GLU  39           H        GLU  39   7.418  -3.785  -5.787
  300    HA   GLU  39           HA       GLU  39   8.695  -6.230  -4.624
  301   1HB   GLU  39          2HB       GLU  39   8.300  -5.445  -7.356
  302   2HB   GLU  39          1HB       GLU  39  10.031  -5.442  -7.013
  303   1HG   GLU  39          2HG       GLU  39   8.294  -7.742  -6.132
  304   2HG   GLU  39          1HG       GLU  39   8.939  -7.676  -7.772
  305    H    THR  40           H        THR  40  10.531  -5.855  -3.469
  306    HA   THR  40           HA       THR  40  11.761  -3.141  -3.693
  307    HB   THR  40           HB       THR  40  12.647  -4.631  -1.384
  308    HG1  THR  40           HG1      THR  40  10.640  -4.837  -0.382
  309   1HG2  THR  40          2HG2      THR  40  12.489  -2.096  -1.881
  310   2HG2  THR  40          1HG2      THR  40  10.797  -2.253  -1.408
  311   3HG2  THR  40          3HG2      THR  40  12.074  -2.640  -0.256
  312    H    ASP  41           H        ASP  41  14.181  -3.801  -2.368
  313    HA   ASP  41           HA       ASP  41  15.915  -4.488  -4.390
  314   1HB   ASP  41          2HB       ASP  41  16.739  -3.740  -2.227
  315   2HB   ASP  41          1HB       ASP  41  16.154  -5.215  -1.457
  316    H    LYS  42           H        LYS  42  15.143  -6.918  -1.880
  317    HA   LYS  42           HA       LYS  42  14.836  -8.937  -4.052
  318   1HB   LYS  42          2HB       LYS  42  16.597  -9.216  -1.597
  319   2HB   LYS  42          1HB       LYS  42  16.211 -10.530  -2.708
  320   1HG   LYS  42          2HG       LYS  42  17.174  -8.118  -4.071
  321   2HG   LYS  42          1HG       LYS  42  18.361  -8.809  -2.963
  322   1HD   LYS  42          2HD       LYS  42  18.386 -10.881  -4.086
  323   2HD   LYS  42          1HD       LYS  42  16.853 -10.561  -4.897
  324   1HE   LYS  42          2HE       LYS  42  19.208  -8.764  -5.407
  325   2HE   LYS  42          1HE       LYS  42  19.091 -10.313  -6.244
  326   1HZ   LYS  42          1HZ       LYS  42  16.753  -8.537  -6.184
  327   2HZ   LYS  42          3HZ       LYS  42  18.019  -8.190  -7.259
  328   3HZ   LYS  42          2HZ       LYS  42  17.210  -9.682  -7.354
  329    H    VAL  43           H        VAL  43  12.963  -7.528  -2.190
  330    HA   VAL  43           HA       VAL  43  11.843  -9.976  -0.887
  331    HB   VAL  43           HB       VAL  43  11.645  -7.151   0.197
  332   1HG1  VAL  43          2HG1      VAL  43  10.740  -9.874   1.134
  333   2HG1  VAL  43          1HG1      VAL  43  10.979  -8.547   2.272
  334   3HG1  VAL  43          3HG1      VAL  43   9.791  -8.396   0.978
  335   1HG2  VAL  43          1HG2      VAL  43  13.548  -9.419   0.763
  336   2HG2  VAL  43          3HG2      VAL  43  13.905  -7.706   0.540
  337   3HG2  VAL  43          2HG2      VAL  43  13.140  -8.260   2.030
  338    H    VAL  44           H        VAL  44   9.408  -9.659  -0.471
  339    HA   VAL  44           HA       VAL  44   8.196  -7.992  -2.636
  340    HB   VAL  44           HB       VAL  44   8.219 -10.331  -3.374
  341   1HG1  VAL  44          1HG1      VAL  44   8.366 -11.320  -1.087
  342   2HG1  VAL  44          3HG1      VAL  44   6.674 -10.897  -0.825
  343   3HG1  VAL  44          2HG1      VAL  44   7.108 -12.072  -2.068
  344   1HG2  VAL  44          1HG2      VAL  44   5.543  -9.242  -2.464
  345   2HG2  VAL  44          3HG2      VAL  44   6.274  -9.110  -4.063
  346   3HG2  VAL  44          2HG2      VAL  44   5.690 -10.671  -3.487
  347    H    MET  45           H        MET  45   6.749  -6.591  -1.774
  348    HA   MET  45           HA       MET  45   5.608  -7.224   0.907
  349   1HB   MET  45          2HB       MET  45   5.705  -4.576  -0.573
  350   2HB   MET  45          1HB       MET  45   5.157  -4.822   1.085
  351   1HG   MET  45          2HG       MET  45   7.944  -5.498   0.105
  352   2HG   MET  45          1HG       MET  45   7.524  -3.995   0.926
  353   1HE   MET  45          1HE       MET  45   6.948  -3.600   3.012
  354   2HE   MET  45          3HE       MET  45   5.616  -4.685   3.431
  355   3HE   MET  45          2HE       MET  45   7.062  -4.631   4.436
  356    H    GLU  46           H        GLU  46   3.301  -6.108   1.123
  357    HA   GLU  46           HA       GLU  46   1.729  -6.597  -1.364
  358   1HB   GLU  46          2HB       GLU  46   0.000  -7.748   0.066
  359   2HB   GLU  46          1HB       GLU  46   1.512  -8.644  -0.089
  360   1HG   GLU  46          2HG       GLU  46   2.177  -7.307   2.086
  361   2HG   GLU  46          1HG       GLU  46   0.430  -7.152   2.278
  362    H    VAL  47           H        VAL  47  -0.294  -5.431  -1.410
  363    HA   VAL  47           HA       VAL  47  -0.505  -3.297   0.678
  364    HB   VAL  47           HB       VAL  47  -1.083  -3.008  -2.286
  365   1HG1  VAL  47          3HG1      VAL  47  -1.429  -1.274   0.122
  366   2HG1  VAL  47          2HG1      VAL  47  -0.916  -0.502  -1.378
  367   3HG1  VAL  47          1HG1      VAL  47  -2.433  -1.400  -1.322
  368   1HG2  VAL  47          2HG2      VAL  47   1.398  -3.138  -1.129
  369   2HG2  VAL  47          1HG2      VAL  47   1.031  -2.209  -2.584
  370   3HG2  VAL  47          3HG2      VAL  47   1.052  -1.412  -1.011
  371    H    LEU  48           H        LEU  48  -2.255  -4.061   1.835
  372    HA   LEU  48           HA       LEU  48  -4.616  -5.068   0.342
  373   1HB   LEU  48          2HB       LEU  48  -3.640  -6.255   2.398
  374   2HB   LEU  48          1HB       LEU  48  -4.295  -4.920   3.346
  375    HG   LEU  48           HG       LEU  48  -6.316  -5.839   1.525
  376   1HD1  LEU  48          1HD1      LEU  48  -4.819  -7.945   1.748
  377   2HD1  LEU  48          3HD1      LEU  48  -5.409  -8.013   3.409
  378   3HD1  LEU  48          2HD1      LEU  48  -6.545  -8.125   2.064
  379   1HD2  LEU  48          2HD2      LEU  48  -6.248  -4.742   3.969
  380   2HD2  LEU  48          1HD2      LEU  48  -7.626  -5.698   3.424
  381   3HD2  LEU  48          3HD2      LEU  48  -6.396  -6.430   4.453
  382    H    ALA  49           H        ALA  49  -6.695  -4.099   0.623
  383    HA   ALA  49           HA       ALA  49  -6.602  -1.208   1.032
  384   1HB   ALA  49          2HB       ALA  49  -8.344  -3.083  -0.255
  385   2HB   ALA  49          1HB       ALA  49  -9.294  -2.141   0.895
  386   3HB   ALA  49          3HB       ALA  49  -8.365  -1.322  -0.361
  387    H    GLU  50           H        GLU  50  -7.332  -0.088   2.822
  388    HA   GLU  50           HA       GLU  50  -8.096  -1.745   5.175
  389   1HB   GLU  50          2HB       GLU  50  -6.433   0.576   4.802
  390   2HB   GLU  50          1HB       GLU  50  -7.738   0.968   5.923
  391   1HG   GLU  50          2HG       GLU  50  -7.188  -1.136   7.188
  392   2HG   GLU  50          1HG       GLU  50  -5.781  -1.337   6.142
  393    H    ALA  51           H        ALA  51  -9.850  -0.708   2.853
  394    HA   ALA  51           HA       ALA  51 -12.206  -0.221   4.401
  395   1HB   ALA  51          1HB       ALA  51 -10.671   2.032   4.333
  396   2HB   ALA  51          3HB       ALA  51 -11.656   2.263   2.889
  397   3HB   ALA  51          2HB       ALA  51 -12.430   2.049   4.459
  398    H    ASP  52           H        ASP  52 -13.947  -0.674   3.100
  399    HA   ASP  52           HA       ASP  52 -13.537  -1.548   0.411
  400   1HB   ASP  52          2HB       ASP  52 -15.405  -2.544   1.307
  401   2HB   ASP  52          1HB       ASP  52 -15.898  -1.101   2.186
  402    H    GLY  53           H        GLY  53 -14.887  -0.585  -1.446
  403   1HA   GLY  53          2HA       GLY  53 -15.889   1.853  -1.900
  404   2HA   GLY  53          1HA       GLY  53 -14.202   2.297  -1.614
  405    H    VAL  54           H        VAL  54 -13.957   3.016  -3.808
  406    HA   VAL  54           HA       VAL  54 -13.654   0.756  -5.733
  407    HB   VAL  54           HB       VAL  54 -14.948   3.447  -6.258
  408   1HG1  VAL  54          2HG1      VAL  54 -13.826   1.351  -8.107
  409   2HG1  VAL  54          1HG1      VAL  54 -15.191   2.346  -8.613
  410   3HG1  VAL  54          3HG1      VAL  54 -13.656   3.104  -8.190
  411   1HG2  VAL  54          3HG2      VAL  54 -15.925   0.586  -6.541
  412   2HG2  VAL  54          2HG2      VAL  54 -16.430   1.730  -5.299
  413   3HG2  VAL  54          1HG2      VAL  54 -16.844   2.023  -6.987
  414    H    ILE  55           H        ILE  55 -11.675   0.775  -6.708
  415    HA   ILE  55           HA       ILE  55  -9.584   2.478  -5.935
  416    HB   ILE  55           HB       ILE  55  -9.988   0.878  -8.466
  417   1HG1  ILE  55          2HG1      ILE  55  -8.548   0.501  -5.835
  418   2HG1  ILE  55          1HG1      ILE  55  -9.755  -0.547  -6.581
  419   1HG2  ILE  55          1HG2      ILE  55  -7.537   2.390  -7.504
  420   2HG2  ILE  55          3HG2      ILE  55  -7.528   1.201  -8.807
  421   3HG2  ILE  55          2HG2      ILE  55  -8.444   2.697  -8.986
  422   1HD1  ILE  55          3HD1      ILE  55  -7.990  -0.736  -8.515
  423   2HD1  ILE  55          2HD1      ILE  55  -6.853  -0.216  -7.271
  424   3HD1  ILE  55          1HD1      ILE  55  -7.784  -1.699  -7.051
  425    H    ALA  56           H        ALA  56  -8.465   4.165  -7.226
  426    HA   ALA  56           HA       ALA  56 -10.455   5.930  -8.549
  427   1HB   ALA  56          1HB       ALA  56  -8.987   6.779  -6.665
  428   2HB   ALA  56          3HB       ALA  56  -7.610   6.594  -7.749
  429   3HB   ALA  56          2HB       ALA  56  -8.900   7.726  -8.149
  430    H    GLU  57           H        GLU  57  -6.964   5.338  -9.086
  431    HA   GLU  57           HA       GLU  57  -7.283   4.320 -11.744
  432   1HB   GLU  57          2HB       GLU  57  -7.587   7.156 -11.495
  433   2HB   GLU  57          1HB       GLU  57  -6.067   6.834 -12.329
  434   1HG   GLU  57          2HG       GLU  57  -7.136   5.614 -14.051
  435   2HG   GLU  57          1HG       GLU  57  -8.611   5.411 -13.106
  436    H    ILE  58           H        ILE  58  -5.357   3.378 -12.295
  437    HA   ILE  58           HA       ILE  58  -3.016   3.986 -10.575
  438    HB   ILE  58           HB       ILE  58  -3.328   1.774 -12.624
  439   1HG1  ILE  58          2HG1      ILE  58  -5.092   1.455 -11.026
  440   2HG1  ILE  58          1HG1      ILE  58  -3.785   0.368 -10.544
  441   1HG2  ILE  58          3HG2      ILE  58  -1.467   2.194 -10.265
  442   2HG2  ILE  58          2HG2      ILE  58  -1.549   0.717 -11.225
  443   3HG2  ILE  58          1HG2      ILE  58  -1.020   2.224 -11.971
  444   1HD1  ILE  58          3HD1      ILE  58  -2.993   2.093  -8.928
  445   2HD1  ILE  58          2HD1      ILE  58  -4.373   3.100  -9.364
  446   3HD1  ILE  58          1HD1      ILE  58  -4.632   1.544  -8.575
  447    H    VAL  59           H        VAL  59  -1.387   5.237 -11.349
  448    HA   VAL  59           HA       VAL  59  -1.410   5.996 -14.203
  449    HB   VAL  59           HB       VAL  59   0.391   6.946 -11.956
  450   1HG1  VAL  59          2HG1      VAL  59   0.742   7.222 -14.662
  451   2HG1  VAL  59          1HG1      VAL  59  -0.189   8.669 -14.279
  452   3HG1  VAL  59          3HG1      VAL  59   1.342   8.364 -13.459
  453   1HG2  VAL  59          2HG2      VAL  59  -2.304   7.320 -12.079
  454   2HG2  VAL  59          1HG2      VAL  59  -1.190   8.498 -11.387
  455   3HG2  VAL  59          3HG2      VAL  59  -1.749   8.682 -13.050
  456    H    LYS  60           H        LYS  60   0.492   4.103 -11.941
  457    HA   LYS  60           HA       LYS  60   2.659   3.737 -13.914
  458   1HB   LYS  60          2HB       LYS  60   2.372   3.445 -11.055
  459   2HB   LYS  60          1HB       LYS  60   2.987   1.945 -11.752
  460   1HG   LYS  60          2HG       LYS  60   4.941   3.207 -11.359
  461   2HG   LYS  60          1HG       LYS  60   4.615   3.476 -13.072
  462   1HD   LYS  60          2HD       LYS  60   3.138   5.405 -11.550
  463   2HD   LYS  60          1HD       LYS  60   4.817   5.428 -11.011
  464   1HE   LYS  60          2HE       LYS  60   4.239   5.351 -13.952
  465   2HE   LYS  60          1HE       LYS  60   4.076   6.880 -13.088
  466   1HZ   LYS  60          1HZ       LYS  60   6.406   6.045 -12.143
  467   2HZ   LYS  60          3HZ       LYS  60   6.461   5.326 -13.679
  468   3HZ   LYS  60          2HZ       LYS  60   6.264   7.008 -13.535
  469    H    ASN  61           H        ASN  61   3.303   1.473 -14.496
  470    HA   ASN  61           HA       ASN  61   0.887  -0.276 -14.730
  471   1HB   ASN  61          2HB       ASN  61   3.076   0.412 -16.659
  472   2HB   ASN  61          1HB       ASN  61   2.330  -1.183 -16.758
  473   1HD2  ASN  61          2HD2      ASN  61   0.176   2.123 -17.834
  474   2HD2  ASN  61          1HD2      ASN  61   1.684   2.299 -17.057
  475    H    GLU  62           H        GLU  62   1.332  -2.607 -14.691
  476    HA   GLU  62           HA       GLU  62   3.095  -3.383 -12.590
  477   1HB   GLU  62          2HB       GLU  62   2.265  -5.328 -14.724
  478   2HB   GLU  62          1HB       GLU  62   2.359  -5.565 -12.978
  479   1HG   GLU  62          2HG       GLU  62   0.136  -5.193 -12.923
  480   2HG   GLU  62          1HG       GLU  62   0.500  -3.504 -13.284
  481    H    GLY  63           H        GLY  63   5.232  -3.988 -12.609
  482   1HA   GLY  63          2HA       GLY  63   7.235  -4.881 -13.606
  483   2HA   GLY  63          1HA       GLY  63   6.529  -4.608 -15.203
  484    H    ASP  64           H        ASP  64   5.795  -1.843 -13.708
  485    HA   ASP  64           HA       ASP  64   8.104  -0.455 -14.892
  486   1HB   ASP  64          2HB       ASP  64   6.223   0.763 -15.403
  487   2HB   ASP  64          1HB       ASP  64   5.388   0.321 -13.916
  488    H    THR  65           H        THR  65   9.013   1.425 -13.540
  489    HA   THR  65           HA       THR  65   9.754   0.320 -10.876
  490    HB   THR  65           HB       THR  65  11.517   0.983 -12.601
  491    HG1  THR  65           HG1      THR  65  11.603   2.423 -10.165
  492   1HG2  THR  65          1HG2      THR  65  10.027   3.233 -12.892
  493   2HG2  THR  65          3HG2      THR  65  11.234   3.803 -11.741
  494   3HG2  THR  65          2HG2      THR  65  11.742   3.144 -13.296
  495    H    VAL  66           H        VAL  66   9.966   1.932  -9.075
  496    HA   VAL  66           HA       VAL  66   7.988   4.159  -9.354
  497    HB   VAL  66           HB       VAL  66   7.130   3.687  -7.155
  498   1HG1  VAL  66          2HG1      VAL  66   6.384   2.233  -9.109
  499   2HG1  VAL  66          1HG1      VAL  66   7.473   0.992  -8.489
  500   3HG1  VAL  66          3HG1      VAL  66   6.116   1.544  -7.508
  501   1HG2  VAL  66          3HG2      VAL  66   9.356   1.630  -7.021
  502   2HG2  VAL  66          2HG2      VAL  66   9.204   3.084  -6.034
  503   3HG2  VAL  66          1HG2      VAL  66   8.057   1.758  -5.836
  504    H    LEU  67           H        LEU  67   8.551   6.086  -8.292
  505    HA   LEU  67           HA       LEU  67  11.346   6.158  -7.246
  506   1HB   LEU  67          2HB       LEU  67   9.989   7.770  -9.135
  507   2HB   LEU  67          1HB       LEU  67  10.210   8.771  -7.700
  508    HG   LEU  67           HG       LEU  67  12.627   7.331  -8.067
  509   1HD1  LEU  67          1HD1      LEU  67  11.340   7.491 -10.522
  510   2HD1  LEU  67          3HD1      LEU  67  12.404   8.897 -10.531
  511   3HD1  LEU  67          2HD1      LEU  67  13.075   7.285 -10.285
  512   1HD2  LEU  67          1HD2      LEU  67  11.675  10.168  -8.240
  513   2HD2  LEU  67          3HD2      LEU  67  12.830   9.443  -7.122
  514   3HD2  LEU  67          2HD2      LEU  67  13.312   9.797  -8.780
  515    H    SER  68           H        SER  68  11.668   7.868  -5.486
  516    HA   SER  68           HA       SER  68   9.897   7.307  -3.289
  517   1HB   SER  68          2HB       SER  68  12.028   7.835  -2.541
  518   2HB   SER  68          1HB       SER  68  12.249   9.103  -3.743
  519    HG   SER  68           HG       SER  68  11.085  10.471  -2.530
  520    H    GLY  69           H        GLY  69   7.796   8.021  -3.559
  521   1HA   GLY  69          2HA       GLY  69   6.322   9.921  -3.028
  522   2HA   GLY  69          1HA       GLY  69   7.451  10.970  -3.887
  523    H    GLU  70           H        GLU  70   6.965   7.981  -5.442
  524    HA   GLU  70           HA       GLU  70   5.579   9.313  -7.652
  525   1HB   GLU  70          2HB       GLU  70   7.296   7.675  -8.187
  526   2HB   GLU  70          1HB       GLU  70   6.463   6.440  -7.242
  527   1HG   GLU  70          2HG       GLU  70   5.901   6.056  -9.551
  528   2HG   GLU  70          1HG       GLU  70   4.473   6.746  -8.780
  529    H    LEU  71           H        LEU  71   3.396   9.411  -7.825
  530    HA   LEU  71           HA       LEU  71   1.715   7.913  -5.948
  531   1HB   LEU  71          2HB       LEU  71   1.296  10.314  -6.713
  532   2HB   LEU  71          1HB       LEU  71   0.785   9.633  -8.258
  533    HG   LEU  71           HG       LEU  71  -0.421   8.356  -5.882
  534   1HD1  LEU  71          1HD1      LEU  71  -0.252  11.104  -5.769
  535   2HD1  LEU  71          3HD1      LEU  71  -1.794  10.861  -6.589
  536   3HD1  LEU  71          2HD1      LEU  71  -1.516  10.141  -5.004
  537   1HD2  LEU  71          1HD2      LEU  71  -0.921   8.056  -8.416
  538   2HD2  LEU  71          3HD2      LEU  71  -2.291   8.186  -7.313
  539   3HD2  LEU  71          2HD2      LEU  71  -1.797   9.580  -8.272
  540    H    LEU  72           H        LEU  72   1.211   5.825  -6.403
  541    HA   LEU  72           HA       LEU  72   1.197   4.894  -9.205
  542   1HB   LEU  72          2HB       LEU  72   0.548   3.260  -6.745
  543   2HB   LEU  72          1HB       LEU  72   1.133   2.687  -8.307
  544    HG   LEU  72           HG       LEU  72   2.700   4.465  -6.415
  545   1HD1  LEU  72          3HD1      LEU  72   2.272   1.617  -6.452
  546   2HD1  LEU  72          2HD1      LEU  72   3.956   1.959  -6.851
  547   3HD1  LEU  72          1HD1      LEU  72   3.265   2.567  -5.346
  548   1HD2  LEU  72          2HD2      LEU  72   2.995   4.379  -9.080
  549   2HD2  LEU  72          1HD2      LEU  72   4.382   4.495  -7.996
  550   3HD2  LEU  72          3HD2      LEU  72   3.918   2.932  -8.670
  551    H    GLY  73           H        GLY  73  -1.039   5.910  -6.774
  552   1HA   GLY  73          2HA       GLY  73  -3.273   6.182  -8.359
  553   2HA   GLY  73          1HA       GLY  73  -3.337   4.483  -7.876
  554    H    LYS  74           H        LYS  74  -5.427   5.741  -6.950
  555    HA   LYS  74           HA       LYS  74  -4.885   6.009  -4.057
  556   1HB   LYS  74          2HB       LYS  74  -6.007   8.139  -3.841
  557   2HB   LYS  74          1HB       LYS  74  -4.741   8.323  -5.057
  558   1HG   LYS  74          2HG       LYS  74  -6.519   7.799  -6.806
  559   2HG   LYS  74          1HG       LYS  74  -7.711   7.981  -5.519
  560   1HD   LYS  74          2HD       LYS  74  -5.708  10.090  -6.382
  561   2HD   LYS  74          1HD       LYS  74  -7.435  10.098  -6.746
  562   1HE   LYS  74          2HE       LYS  74  -7.899  11.016  -4.746
  563   2HE   LYS  74          1HE       LYS  74  -7.045   9.715  -3.914
  564   1HZ   LYS  74          3HZ       LYS  74  -4.955  10.896  -4.384
  565   2HZ   LYS  74          2HZ       LYS  74  -5.845  12.180  -5.051
  566   3HZ   LYS  74          1HZ       LYS  74  -6.006  11.796  -3.404
  567    H    LEU  75           H        LEU  75  -6.813   5.674  -2.782
  568    HA   LEU  75           HA       LEU  75  -8.862   4.117  -4.233
  569   1HB   LEU  75          2HB       LEU  75  -7.813   3.291  -2.092
  570   2HB   LEU  75          1HB       LEU  75  -8.622   4.614  -1.253
  571    HG   LEU  75           HG       LEU  75 -10.793   3.728  -2.320
  572   1HD1  LEU  75          2HD1      LEU  75  -9.012   2.065  -3.640
  573   2HD1  LEU  75          1HD1      LEU  75  -9.672   1.021  -2.381
  574   3HD1  LEU  75          3HD1      LEU  75 -10.754   1.812  -3.526
  575   1HD2  LEU  75          1HD2      LEU  75  -9.272   2.847  -0.006
  576   2HD2  LEU  75          3HD2      LEU  75 -11.006   3.129  -0.154
  577   3HD2  LEU  75          2HD2      LEU  75 -10.327   1.562  -0.594
  578    H    THR  76           H        THR  76 -11.139   4.595  -4.017
  579    HA   THR  76           HA       THR  76 -11.654   7.498  -3.772
  580    HB   THR  76           HB       THR  76 -13.674   5.375  -4.507
  581    HG1  THR  76           HG1      THR  76 -11.541   6.449  -5.965
  582   1HG2  THR  76          3HG2      THR  76 -13.406   8.340  -4.737
  583   2HG2  THR  76          2HG2      THR  76 -14.267   7.488  -6.019
  584   3HG2  THR  76          1HG2      THR  76 -14.826   7.368  -4.350
  585    H    GLU  77           H        GLU  77 -13.823   8.063  -2.650
  586    HA   GLU  77           HA       GLU  77 -13.664   7.188   0.095
  587   1HB   GLU  77          2HB       GLU  77 -16.110   8.530  -1.016
  588   2HB   GLU  77          1HB       GLU  77 -15.299   8.790   0.530
  589   1HG   GLU  77          2HG       GLU  77 -13.303   9.610  -0.959
  590   2HG   GLU  77          1HG       GLU  77 -14.547   9.815  -2.193
  591    H    GLY  78           H        GLY  78 -15.947   6.530   1.144
  592   1HA   GLY  78          2HA       GLY  78 -18.004   5.149   0.162
  593   2HA   GLY  78          1HA       GLY  78 -16.709   4.019  -0.237
  594    H    GLY  79           HN       GLY  79 -15.079   4.267   2.012
  595   1HA   GLY  79          2HA       GLY  79 -14.884   3.572   4.248
  596   2HA   GLY  79          1HA       GLY  79 -16.553   4.095   4.485
   
  No H/Q in entry =         596
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1 -10.757   9.210   1.924
    2   2H    ALA   1          3H        ALA   1 -11.412  10.350   0.853
    3   3H    ALA   1          2H        ALA   1 -12.141   8.824   1.017
    4    HA   ALA   1           HA       ALA   1 -10.899   8.021  -0.606
    5   1HB   ALA   1          3HB       ALA   1 -10.953  10.375  -1.430
    6   2HB   ALA   1          2HB       ALA   1  -9.453  10.687  -0.554
    7   3HB   ALA   1          1HB       ALA   1  -9.472   9.535  -1.890
    8    H    ILE   2           H        ILE   2  -8.876   6.938  -0.965
    9    HA   ILE   2           HA       ILE   2  -6.904   7.254   1.262
   10    HB   ILE   2           HB       ILE   2  -7.988   4.723   0.004
   11   1HG1  ILE   2          2HG1      ILE   2  -8.025   4.358   2.683
   12   2HG1  ILE   2          1HG1      ILE   2  -8.191   6.114   2.627
   13   1HG2  ILE   2          3HG2      ILE   2  -5.373   5.292   1.247
   14   2HG2  ILE   2          2HG2      ILE   2  -6.223   3.910   1.938
   15   3HG2  ILE   2          1HG2      ILE   2  -5.859   3.950   0.212
   16   1HD1  ILE   2          1HD1      ILE   2 -10.022   5.690   0.851
   17   2HD1  ILE   2          3HD1      ILE   2 -10.002   4.022   1.425
   18   3HD1  ILE   2          2HD1      ILE   2 -10.420   5.330   2.532
   19    H    ASP   3           H        ASP   3  -5.490   8.508  -0.043
   20    HA   ASP   3           HA       ASP   3  -4.737   7.874  -2.716
   21   1HB   ASP   3          2HB       ASP   3  -4.257  10.047  -1.563
   22   2HB   ASP   3          1HB       ASP   3  -3.026   9.220  -0.602
   23    H    ILE   4           H        ILE   4  -3.397   6.312  -3.510
   24    HA   ILE   4           HA       ILE   4  -2.002   4.576  -1.536
   25    HB   ILE   4           HB       ILE   4  -2.422   4.060  -4.491
   26   1HG1  ILE   4          2HG1      ILE   4  -4.188   2.451  -3.065
   27   2HG1  ILE   4          1HG1      ILE   4  -4.317   4.015  -2.258
   28   1HG2  ILE   4          1HG2      ILE   4  -1.239   2.620  -2.212
   29   2HG2  ILE   4          3HG2      ILE   4  -2.401   1.665  -3.133
   30   3HG2  ILE   4          2HG2      ILE   4  -1.003   2.373  -3.943
   31   1HD1  ILE   4          2HD1      ILE   4  -4.251   4.628  -4.992
   32   2HD1  ILE   4          1HD1      ILE   4  -5.301   3.216  -4.873
   33   3HD1  ILE   4          3HD1      ILE   4  -5.667   4.667  -3.941
   34    H    LYS   5           H        LYS   5   0.070   5.237  -1.183
   35    HA   LYS   5           HA       LYS   5   1.669   6.083  -3.567
   36   1HB   LYS   5          2HB       LYS   5   3.022   7.448  -1.986
   37   2HB   LYS   5          1HB       LYS   5   1.334   7.960  -2.025
   38   1HG   LYS   5          2HG       LYS   5   0.853   6.931   0.051
   39   2HG   LYS   5          1HG       LYS   5   2.315   5.945  -0.003
   40   1HD   LYS   5          2HD       LYS   5   3.694   7.988   0.217
   41   2HD   LYS   5          1HD       LYS   5   2.226   8.962   0.302
   42   1HE   LYS   5          2HE       LYS   5   2.189   8.611   2.525
   43   2HE   LYS   5          1HE       LYS   5   1.892   6.902   2.202
   44   1HZ   LYS   5          1HZ       LYS   5   4.573   7.247   1.763
   45   2HZ   LYS   5          3HZ       LYS   5   4.260   8.178   3.146
   46   3HZ   LYS   5          2HZ       LYS   5   3.859   6.528   3.126
   47    H    ALA   6           H        ALA   6   4.071   5.635  -3.243
   48    HA   ALA   6           HA       ALA   6   4.373   2.868  -2.294
   49   1HB   ALA   6          1HB       ALA   6   5.587   4.453  -4.289
   50   2HB   ALA   6          3HB       ALA   6   6.853   4.116  -3.108
   51   3HB   ALA   6          2HB       ALA   6   5.981   2.786  -3.870
   52    HA   PRO   7           HA       PRO   7   6.349   3.821   1.503
   53   1HB   PRO   7          2HB       PRO   7   8.192   1.787   1.650
   54   2HB   PRO   7          1HB       PRO   7   6.453   1.552   1.898
   55   1HG   PRO   7          2HG       PRO   7   8.131   0.812  -0.455
   56   2HG   PRO   7          1HG       PRO   7   6.620   0.087   0.118
   57   1HD   PRO   7          2HD       PRO   7   6.876   1.886  -2.054
   58   2HD   PRO   7          1HD       PRO   7   5.355   1.413  -1.261
   59    H    THR   8           H        THR   8   8.298   4.731   2.422
   60    HA   THR   8           HA       THR   8  10.046   6.012   0.480
   61    HB   THR   8           HB       THR   8  10.314   5.908   3.499
   62    HG1  THR   8           HG1      THR   8   8.969   7.594   3.550
   63   1HG2  THR   8          3HG2      THR   8  11.379   7.815   1.398
   64   2HG2  THR   8          2HG2      THR   8  11.527   8.052   3.140
   65   3HG2  THR   8          1HG2      THR   8  12.332   6.688   2.364
   66    H    PHE   9           H        PHE   9  11.601   4.799  -0.501
   67    HA   PHE   9           HA       PHE   9  12.720   2.410   0.675
   68   1HB   PHE   9          2HB       PHE   9  13.802   4.082  -1.615
   69   2HB   PHE   9          1HB       PHE   9  14.216   2.402  -1.256
   70    HD1  PHE   9           HD2      PHE   9  11.450   1.458  -0.431
   71    HD2  PHE   9           HD1      PHE   9  12.789   3.811  -3.770
   72    HE1  PHE   9           HE2      PHE   9   9.494   0.693  -1.755
   73    HE2  PHE   9           HE1      PHE   9  10.834   3.046  -5.092
   74    HZ   PHE   9           HZ       PHE   9   9.187   1.488  -4.084
   75    HA   PRO  10           HA       PRO  10  15.957   4.181   3.056
   76   1HB   PRO  10          2HB       PRO  10  17.678   2.038   3.070
   77   2HB   PRO  10          1HB       PRO  10  16.189   2.104   4.028
   78   1HG   PRO  10          2HG       PRO  10  16.753   0.557   1.541
   79   2HG   PRO  10          1HG       PRO  10  15.599   0.210   2.841
   80   1HD   PRO  10          2HD       PRO  10  14.968   1.321   0.313
   81   2HD   PRO  10          1HD       PRO  10  13.896   1.274   1.733
   82    H    GLU  11           H        GLU  11  18.504   4.355   2.947
   83    HA   GLU  11           HA       GLU  11  19.201   5.605   0.461
   84   1HB   GLU  11          2HB       GLU  11  21.403   5.885   1.419
   85   2HB   GLU  11          1HB       GLU  11  20.225   6.118   2.712
   86   1HG   GLU  11          2HG       GLU  11  20.533   3.713   3.350
   87   2HG   GLU  11          1HG       GLU  11  21.820   3.602   2.149
   88    H    SER  12           H        SER  12  20.116   2.461   1.882
   89    HA   SER  12           HA       SER  12  21.932   1.498   0.055
   90   1HB   SER  12          2HB       SER  12  21.428  -0.074   1.680
   91   2HB   SER  12          1HB       SER  12  19.691   0.201   1.554
   92    HG   SER  12           HG       SER  12  21.260  -0.971  -0.499
   93    H    ILE  13           H        ILE  13  18.417   1.731  -0.417
   94    HA   ILE  13           HA       ILE  13  18.829   0.927  -3.264
   95    HB   ILE  13           HB       ILE  13  16.203   1.119  -1.768
   96   1HG1  ILE  13          2HG1      ILE  13  17.732  -0.521  -0.690
   97   2HG1  ILE  13          1HG1      ILE  13  16.365  -1.314  -1.473
   98   1HG2  ILE  13          1HG2      ILE  13  17.078   0.366  -4.487
   99   2HG2  ILE  13          3HG2      ILE  13  15.957  -0.770  -3.736
  100   3HG2  ILE  13          2HG2      ILE  13  15.501   0.922  -3.925
  101   1HD1  ILE  13          1HD1      ILE  13  18.053  -1.343  -3.545
  102   2HD1  ILE  13          3HD1      ILE  13  19.248  -1.299  -2.249
  103   3HD1  ILE  13          2HD1      ILE  13  18.074  -2.613  -2.322
  104    H    ALA  14           H        ALA  14  17.795   2.232  -4.913
  105    HA   ALA  14           HA       ALA  14  17.237   5.028  -4.003
  106   1HB   ALA  14          3HB       ALA  14  19.329   4.373  -5.529
  107   2HB   ALA  14          2HB       ALA  14  18.115   4.471  -6.804
  108   3HB   ALA  14          1HB       ALA  14  18.438   5.873  -5.785
  109    H    ASP  15           H        ASP  15  15.766   2.309  -5.159
  110    HA   ASP  15           HA       ASP  15  13.311   3.602  -5.777
  111   1HB   ASP  15          2HB       ASP  15  13.429   2.855  -8.319
  112   2HB   ASP  15          1HB       ASP  15  14.034   4.435  -7.821
  113    H    GLY  16           H        GLY  16  11.992   1.880  -7.342
  114   1HA   GLY  16          2HA       GLY  16  12.785  -0.889  -6.689
  115   2HA   GLY  16          1HA       GLY  16  11.286  -0.319  -5.952
  116    H    THR  17           H        THR  17  10.242  -2.037  -7.262
  117    HA   THR  17           HA       THR  17   9.427  -0.953  -9.887
  118    HB   THR  17           HB       THR  17  10.746  -3.653  -9.515
  119    HG1  THR  17           HG1      THR  17  11.834  -2.736 -11.454
  120   1HG2  THR  17          2HG2      THR  17   8.598  -2.846 -11.315
  121   2HG2  THR  17          1HG2      THR  17  10.029  -3.386 -12.192
  122   3HG2  THR  17          3HG2      THR  17   9.262  -4.452 -11.015
  123    H    VAL  18           H        VAL  18   7.253  -1.223 -10.096
  124    HA   VAL  18           HA       VAL  18   5.549  -2.192  -8.141
  125    HB   VAL  18           HB       VAL  18   5.107  -2.397 -11.137
  126   1HG1  VAL  18          2HG1      VAL  18   3.197  -2.383  -8.780
  127   2HG1  VAL  18          1HG1      VAL  18   2.696  -2.204 -10.461
  128   3HG1  VAL  18          3HG1      VAL  18   3.455  -3.702  -9.922
  129   1HG2  VAL  18          1HG2      VAL  18   5.732  -0.126  -9.945
  130   2HG2  VAL  18          3HG2      VAL  18   4.399  -0.173 -11.099
  131   3HG2  VAL  18          2HG2      VAL  18   4.067  -0.203  -9.366
  132    H    ALA  19           H        ALA  19   4.254  -4.222  -8.059
  133    HA   ALA  19           HA       ALA  19   5.950  -6.555  -8.831
  134   1HB   ALA  19          1HB       ALA  19   4.857  -5.874  -6.377
  135   2HB   ALA  19          3HB       ALA  19   3.725  -7.077  -6.995
  136   3HB   ALA  19          2HB       ALA  19   5.434  -7.479  -6.829
  137    H    THR  20           H        THR  20   2.461  -6.280  -8.125
  138    HA   THR  20           HA       THR  20   1.746  -6.904 -10.893
  139    HB   THR  20           HB       THR  20   1.447  -8.971  -8.698
  140    HG1  THR  20           HG1      THR  20   2.582 -10.226 -10.193
  141   1HG2  THR  20          2HG2      THR  20  -0.660  -8.695  -9.998
  142   2HG2  THR  20          1HG2      THR  20   0.248  -8.985 -11.481
  143   3HG2  THR  20          3HG2      THR  20   0.102 -10.261 -10.273
  144    H    TRP  21           H        TRP  21  -0.261  -6.047 -11.272
  145    HA   TRP  21           HA       TRP  21  -1.770  -5.000  -8.973
  146   1HB   TRP  21          2HB       TRP  21  -1.697  -4.549 -11.920
  147   2HB   TRP  21          1HB       TRP  21  -3.215  -4.233 -11.084
  148    HD1  TRP  21           HD1      TRP  21   0.244  -2.866 -11.598
  149    HE1  TRP  21           HE1      TRP  21   0.499  -0.650 -10.292
  150    HE3  TRP  21           HE3      TRP  21  -4.038  -2.963  -8.816
  151    HZ2  TRP  21           HZ2      TRP  21  -0.898   0.860  -8.358
  152    HZ3  TRP  21           HZ3      TRP  21  -4.554  -1.113  -7.242
  153    HH2  TRP  21           HH2      TRP  21  -2.988   0.800  -7.009
  154    H    HIS  22           H        HIS  22  -2.546  -7.051  -8.150
  155    HA   HIS  22           HA       HIS  22  -3.818  -9.131  -9.461
  156   1HB   HIS  22          2HB       HIS  22  -5.261  -8.009  -7.080
  157   2HB   HIS  22          1HB       HIS  22  -4.869  -9.689  -7.461
  158    HD1  HIS  22           HD1      HIS  22  -3.310  -6.512  -6.166
  159    HD2  HIS  22           HD2      HIS  22  -2.349 -10.550  -6.526
  160    HE1  HIS  22           HE1      HIS  22  -1.116  -6.830  -4.976
  161    H    LYS  23           H        LYS  23  -5.782  -6.459  -8.110
  162    HA   LYS  23           HA       LYS  23  -7.765  -6.961 -10.263
  163   1HB   LYS  23          2HB       LYS  23  -7.838  -5.678  -7.562
  164   2HB   LYS  23          1HB       LYS  23  -8.997  -5.127  -8.772
  165   1HG   LYS  23          2HG       LYS  23  -8.675  -8.069  -8.523
  166   2HG   LYS  23          1HG       LYS  23  -9.453  -7.256  -7.165
  167   1HD   LYS  23          2HD       LYS  23 -11.206  -6.429  -8.506
  168   2HD   LYS  23          1HD       LYS  23 -10.304  -6.685 -10.000
  169   1HE   LYS  23          2HE       LYS  23 -10.614  -9.171  -8.531
  170   2HE   LYS  23          1HE       LYS  23 -12.180  -8.432  -8.865
  171   1HZ   LYS  23          3HZ       LYS  23 -11.417  -8.169 -11.203
  172   2HZ   LYS  23          2HZ       LYS  23 -10.053  -9.107 -10.819
  173   3HZ   LYS  23          1HZ       LYS  23 -11.608  -9.782 -10.712
  174    H    LYS  24           H        LYS  24  -8.926  -4.648 -10.787
  175    HA   LYS  24           HA       LYS  24  -6.713  -2.786 -11.560
  176   1HB   LYS  24          2HB       LYS  24  -8.678  -4.165 -13.195
  177   2HB   LYS  24          1HB       LYS  24  -8.824  -2.416 -13.375
  178   1HG   LYS  24          2HG       LYS  24  -6.295  -2.362 -13.688
  179   2HG   LYS  24          1HG       LYS  24  -6.365  -4.120 -13.820
  180   1HD   LYS  24          2HD       LYS  24  -8.037  -3.860 -15.671
  181   2HD   LYS  24          1HD       LYS  24  -7.783  -2.115 -15.596
  182   1HE   LYS  24          2HE       LYS  24  -6.185  -2.560 -17.170
  183   2HE   LYS  24          1HE       LYS  24  -5.210  -2.958 -15.755
  184   1HZ   LYS  24          1HZ       LYS  24  -6.827  -5.159 -16.514
  185   2HZ   LYS  24          3HZ       LYS  24  -5.891  -4.640 -17.829
  186   3HZ   LYS  24          2HZ       LYS  24  -5.137  -5.068 -16.369
  187    HA   PRO  25           HA       PRO  25  -9.074   0.488  -9.851
  188   1HB   PRO  25          2HB       PRO  25  -8.697   2.490 -11.700
  189   2HB   PRO  25          1HB       PRO  25  -7.441   1.948 -10.572
  190   1HG   PRO  25          2HG       PRO  25  -7.706   1.397 -13.496
  191   2HG   PRO  25          1HG       PRO  25  -6.245   1.482 -12.498
  192   1HD   PRO  25          2HD       PRO  25  -7.493  -0.893 -13.362
  193   2HD   PRO  25          1HD       PRO  25  -6.293  -0.771 -12.059
  194    H    GLY  26           H        GLY  26 -11.231   1.097  -9.839
  195   1HA   GLY  26          2HA       GLY  26 -13.256   1.906 -10.911
  196   2HA   GLY  26          1HA       GLY  26 -12.696   1.193 -12.428
  197    H    GLU  27           H        GLU  27 -12.210  -0.821  -9.719
  198    HA   GLU  27           HA       GLU  27 -14.610  -2.425 -10.506
  199   1HB   GLU  27          2HB       GLU  27 -11.997  -3.356  -9.274
  200   2HB   GLU  27          1HB       GLU  27 -13.349  -4.395  -9.726
  201   1HG   GLU  27          2HG       GLU  27 -12.558  -2.652 -11.921
  202   2HG   GLU  27          1HG       GLU  27 -11.218  -3.661 -11.374
  203    H    ALA  28           H        ALA  28 -14.872  -4.114  -8.414
  204    HA   ALA  28           HA       ALA  28 -15.755  -2.304  -6.265
  205   1HB   ALA  28          1HB       ALA  28 -16.597  -4.828  -7.292
  206   2HB   ALA  28          3HB       ALA  28 -16.153  -5.061  -5.601
  207   3HB   ALA  28          2HB       ALA  28 -17.365  -3.858  -6.036
  208    H    VAL  29           H        VAL  29 -14.833  -2.211  -4.225
  209    HA   VAL  29           HA       VAL  29 -12.419  -3.925  -3.792
  210    HB   VAL  29           HB       VAL  29 -12.962  -1.057  -2.982
  211   1HG1  VAL  29          1HG1      VAL  29 -11.410  -3.077  -1.634
  212   2HG1  VAL  29          3HG1      VAL  29 -10.329  -1.849  -2.290
  213   3HG1  VAL  29          2HG1      VAL  29 -11.630  -1.383  -1.197
  214   1HG2  VAL  29          3HG2      VAL  29 -11.784  -2.177  -5.250
  215   2HG2  VAL  29          2HG2      VAL  29 -11.586  -0.515  -4.695
  216   3HG2  VAL  29          1HG2      VAL  29 -10.411  -1.745  -4.231
  217    H    LYS  30           H        LYS  30 -12.235  -4.929  -1.780
  218    HA   LYS  30           HA       LYS  30 -14.409  -4.382   0.193
  219   1HB   LYS  30          2HB       LYS  30 -14.774  -6.488  -1.224
  220   2HB   LYS  30          1HB       LYS  30 -13.367  -7.158  -0.399
  221   1HG   LYS  30          2HG       LYS  30 -14.507  -6.642   1.792
  222   2HG   LYS  30          1HG       LYS  30 -15.949  -6.213   0.871
  223   1HD   LYS  30          2HD       LYS  30 -16.480  -8.413   1.092
  224   2HD   LYS  30          1HD       LYS  30 -15.320  -8.647  -0.218
  225   1HE   LYS  30          2HE       LYS  30 -13.741  -9.548   1.163
  226   2HE   LYS  30          1HE       LYS  30 -14.150  -8.471   2.497
  227   1HZ   LYS  30          3HZ       LYS  30 -16.350 -10.105   2.079
  228   2HZ   LYS  30          2HZ       LYS  30 -14.991 -11.125   2.049
  229   3HZ   LYS  30          1HZ       LYS  30 -15.281 -10.130   3.395
  230    H    ARG  31           H        ARG  31 -13.582  -3.992   2.191
  231    HA   ARG  31           HA       ARG  31 -10.926  -3.724   2.852
  232   1HB   ARG  31          2HB       ARG  31 -13.291  -3.584   4.257
  233   2HB   ARG  31          1HB       ARG  31 -12.463  -4.924   5.053
  234   1HG   ARG  31          2HG       ARG  31 -10.894  -2.448   4.446
  235   2HG   ARG  31          1HG       ARG  31 -12.018  -2.415   5.805
  236   1HD   ARG  31          2HD       ARG  31  -9.973  -4.613   5.442
  237   2HD   ARG  31          1HD       ARG  31  -9.635  -3.145   6.358
  238    HE   ARG  31           HE       ARG  31 -11.861  -5.011   7.086
  239   1HH1  ARG  31          2HH1      ARG  31 -11.655  -2.328   8.445
  240   2HH1  ARG  31          1HH1      ARG  31 -10.765  -2.725   9.877
  241   1HH2  ARG  31          1HH2      ARG  31  -9.666  -5.782   8.668
  242   2HH2  ARG  31          2HH2      ARG  31  -9.640  -4.680  10.004
  243    H    ASP  32           H        ASP  32  -9.299  -5.080   3.732
  244    HA   ASP  32           HA       ASP  32  -8.198  -7.106   4.211
  245   1HB   ASP  32          2HB       ASP  32 -10.546  -7.591   5.298
  246   2HB   ASP  32          1HB       ASP  32 -10.773  -8.620   3.883
  247    H    GLU  33           H        GLU  33  -8.857  -6.039   1.470
  248    HA   GLU  33           HA       GLU  33  -8.420  -8.602  -0.012
  249   1HB   GLU  33          2HB       GLU  33 -10.698  -7.468  -0.372
  250   2HB   GLU  33          1HB       GLU  33  -9.804  -6.185  -1.188
  251   1HG   GLU  33          2HG       GLU  33  -9.345  -9.053  -1.964
  252   2HG   GLU  33          1HG       GLU  33 -10.738  -8.180  -2.605
  253    H    LEU  34           H        LEU  34  -6.292  -8.547  -0.577
  254    HA   LEU  34           HA       LEU  34  -4.537  -6.430  -0.672
  255   1HB   LEU  34          2HB       LEU  34  -3.908  -8.803  -1.075
  256   2HB   LEU  34          1HB       LEU  34  -4.609  -8.690  -2.690
  257    HG   LEU  34           HG       LEU  34  -3.029  -6.902  -3.272
  258   1HD1  LEU  34          1HD1      LEU  34  -2.721  -6.807  -0.413
  259   2HD1  LEU  34          3HD1      LEU  34  -1.147  -7.096  -1.155
  260   3HD1  LEU  34          2HD1      LEU  34  -2.097  -5.687  -1.624
  261   1HD2  LEU  34          3HD2      LEU  34  -2.386  -9.301  -3.581
  262   2HD2  LEU  34          2HD2      LEU  34  -0.995  -8.250  -3.313
  263   3HD2  LEU  34          1HD2      LEU  34  -1.602  -9.260  -2.001
  264    H    ILE  35           H        ILE  35  -3.631  -5.244  -2.604
  265    HA   ILE  35           HA       ILE  35  -5.668  -4.767  -4.726
  266    HB   ILE  35           HB       ILE  35  -4.364  -2.676  -2.967
  267   1HG1  ILE  35          2HG1      ILE  35  -7.240  -3.371  -3.643
  268   2HG1  ILE  35          1HG1      ILE  35  -6.440  -3.619  -2.091
  269   1HG2  ILE  35          2HG2      ILE  35  -5.924  -2.307  -5.543
  270   2HG2  ILE  35          1HG2      ILE  35  -5.398  -1.008  -4.472
  271   3HG2  ILE  35          3HG2      ILE  35  -4.204  -1.983  -5.327
  272   1HD1  ILE  35          3HD1      ILE  35  -5.966  -1.040  -2.235
  273   2HD1  ILE  35          2HD1      ILE  35  -7.307  -1.048  -3.381
  274   3HD1  ILE  35          1HD1      ILE  35  -7.559  -1.602  -1.725
  275    H    VAL  36           H        VAL  36  -2.354  -4.010  -3.613
  276    HA   VAL  36           HA       VAL  36  -1.359  -4.675  -6.313
  277    HB   VAL  36           HB       VAL  36  -1.896  -2.229  -6.366
  278   1HG1  VAL  36          3HG1      VAL  36   0.189  -2.150  -4.164
  279   2HG1  VAL  36          2HG1      VAL  36  -0.433  -0.731  -5.005
  280   3HG1  VAL  36          1HG1      VAL  36  -1.512  -1.710  -4.011
  281   1HG2  VAL  36          3HG2      VAL  36   0.152  -3.442  -7.499
  282   2HG2  VAL  36          2HG2      VAL  36   0.060  -1.682  -7.520
  283   3HG2  VAL  36          1HG2      VAL  36   1.097  -2.496  -6.350
  284    H    ASP  37           H        ASP  37   0.931  -5.116  -6.304
  285    HA   ASP  37           HA       ASP  37   2.037  -5.479  -3.549
  286   1HB   ASP  37          2HB       ASP  37   2.125  -7.157  -6.022
  287   2HB   ASP  37          1HB       ASP  37   3.535  -7.181  -4.961
  288    H    ILE  38           H        ILE  38   4.277  -4.976  -3.242
  289    HA   ILE  38           HA       ILE  38   5.411  -3.222  -5.387
  290    HB   ILE  38           HB       ILE  38   6.008  -3.090  -2.418
  291   1HG1  ILE  38          2HG1      ILE  38   4.468  -0.888  -3.560
  292   2HG1  ILE  38          1HG1      ILE  38   3.599  -2.419  -3.659
  293   1HG2  ILE  38          2HG2      ILE  38   7.044  -1.801  -4.818
  294   2HG2  ILE  38          1HG2      ILE  38   6.418  -0.621  -3.665
  295   3HG2  ILE  38          3HG2      ILE  38   7.670  -1.759  -3.169
  296   1HD1  ILE  38          2HD1      ILE  38   4.953  -2.015  -1.086
  297   2HD1  ILE  38          1HD1      ILE  38   3.712  -0.808  -1.422
  298   3HD1  ILE  38          3HD1      ILE  38   3.297  -2.522  -1.417
  299    H    GLU  39           H        GLU  39   7.604  -3.512  -5.921
  300    HA   GLU  39           HA       GLU  39   8.892  -5.923  -4.702
  301   1HB   GLU  39          2HB       GLU  39   8.164  -5.551  -7.356
  302   2HB   GLU  39          1HB       GLU  39   9.882  -5.151  -7.346
  303   1HG   GLU  39          2HG       GLU  39   9.377  -7.497  -5.722
  304   2HG   GLU  39          1HG       GLU  39   8.752  -7.728  -7.355
  305    H    THR  40           H        THR  40  11.084  -5.742  -4.152
  306    HA   THR  40           HA       THR  40  12.382  -3.104  -4.662
  307    HB   THR  40           HB       THR  40  12.394  -4.557  -1.998
  308    HG1  THR  40           HG1      THR  40  11.100  -2.164  -2.800
  309   1HG2  THR  40          3HG2      THR  40  13.597  -1.968  -2.991
  310   2HG2  THR  40          2HG2      THR  40  13.371  -2.311  -1.276
  311   3HG2  THR  40          1HG2      THR  40  14.427  -3.336  -2.248
  312    H    ASP  41           H        ASP  41  14.792  -3.246  -4.248
  313    HA   ASP  41           HA       ASP  41  16.073  -5.157  -5.757
  314   1HB   ASP  41          2HB       ASP  41  17.100  -3.107  -4.636
  315   2HB   ASP  41          1HB       ASP  41  17.280  -4.102  -3.190
  316    H    LYS  42           H        LYS  42  15.101  -5.457  -2.368
  317    HA   LYS  42           HA       LYS  42  15.246  -8.374  -2.586
  318   1HB   LYS  42          2HB       LYS  42  17.180  -6.788  -0.906
  319   2HB   LYS  42          1HB       LYS  42  16.688  -8.409  -0.413
  320   1HG   LYS  42          2HG       LYS  42  17.257  -8.946  -2.971
  321   2HG   LYS  42          1HG       LYS  42  18.321  -7.554  -2.760
  322   1HD   LYS  42          2HD       LYS  42  19.643  -8.625  -1.195
  323   2HD   LYS  42          1HD       LYS  42  18.325  -9.654  -0.632
  324   1HE   LYS  42          2HE       LYS  42  19.714 -11.139  -1.830
  325   2HE   LYS  42          1HE       LYS  42  18.440 -10.739  -2.982
  326   1HZ   LYS  42          2HZ       LYS  42  20.093  -8.817  -3.573
  327   2HZ   LYS  42          1HZ       LYS  42  21.244  -9.893  -2.937
  328   3HZ   LYS  42          3HZ       LYS  42  20.278 -10.365  -4.250
  329    H    VAL  43           H        VAL  43  13.266  -6.217  -2.000
  330    HA   VAL  43           HA       VAL  43  12.237  -7.395   0.528
  331    HB   VAL  43           HB       VAL  43  12.162  -4.413   0.021
  332   1HG1  VAL  43          3HG1      VAL  43  10.468  -5.383   1.553
  333   2HG1  VAL  43          2HG1      VAL  43  11.763  -6.096   2.514
  334   3HG1  VAL  43          1HG1      VAL  43  11.603  -4.342   2.413
  335   1HG2  VAL  43          1HG2      VAL  43  14.327  -6.128   1.072
  336   2HG2  VAL  43          3HG2      VAL  43  14.401  -4.482   0.444
  337   3HG2  VAL  43          2HG2      VAL  43  13.902  -4.767   2.111
  338    H    VAL  44           H        VAL  44  10.255  -8.174   0.014
  339    HA   VAL  44           HA       VAL  44   8.700  -6.773  -2.116
  340    HB   VAL  44           HB       VAL  44   8.370  -9.583  -1.018
  341   1HG1  VAL  44          2HG1      VAL  44   6.978  -7.974  -3.154
  342   2HG1  VAL  44          1HG1      VAL  44   7.032  -9.735  -3.246
  343   3HG1  VAL  44          3HG1      VAL  44   6.267  -8.947  -1.866
  344   1HG2  VAL  44          2HG2      VAL  44   9.658  -8.520  -3.551
  345   2HG2  VAL  44          1HG2      VAL  44  10.450  -9.418  -2.255
  346   3HG2  VAL  44          3HG2      VAL  44   9.264 -10.219  -3.287
  347    H    MET  45           H        MET  45   6.953  -5.618  -1.456
  348    HA   MET  45           HA       MET  45   5.801  -6.262   1.229
  349   1HB   MET  45          2HB       MET  45   6.288  -3.649  -0.179
  350   2HB   MET  45          1HB       MET  45   5.002  -3.775   1.022
  351   1HG   MET  45          2HG       MET  45   6.474  -4.090   2.768
  352   2HG   MET  45          1HG       MET  45   7.674  -4.887   1.750
  353   1HE   MET  45          3HE       MET  45   5.891  -1.714   2.742
  354   2HE   MET  45          2HE       MET  45   7.219  -1.941   3.878
  355   3HE   MET  45          1HE       MET  45   7.202  -0.528   2.825
  356    H    GLU  46           H        GLU  46   3.442  -5.002   1.188
  357    HA   GLU  46           HA       GLU  46   2.071  -5.716  -1.354
  358   1HB   GLU  46          2HB       GLU  46   0.249  -6.803   0.059
  359   2HB   GLU  46          1HB       GLU  46   1.760  -7.707  -0.053
  360   1HG   GLU  46          2HG       GLU  46   2.153  -6.004   2.122
  361   2HG   GLU  46          1HG       GLU  46   0.481  -6.540   2.292
  362    H    VAL  47           H        VAL  47  -0.273  -4.895  -1.262
  363    HA   VAL  47           HA       VAL  47  -0.597  -2.579   0.573
  364    HB   VAL  47           HB       VAL  47  -0.686  -2.458  -2.454
  365   1HG1  VAL  47          1HG1      VAL  47  -1.667  -0.491  -0.368
  366   2HG1  VAL  47          3HG1      VAL  47  -1.380  -0.061  -2.053
  367   3HG1  VAL  47          2HG1      VAL  47  -2.615  -1.253  -1.645
  368   1HG2  VAL  47          1HG2      VAL  47   1.400  -2.036  -0.713
  369   2HG2  VAL  47          3HG2      VAL  47   1.260  -1.286  -2.303
  370   3HG2  VAL  47          2HG2      VAL  47   0.728  -0.413  -0.866
  371    H    LEU  48           H        LEU  48  -2.433  -3.353   1.585
  372    HA   LEU  48           HA       LEU  48  -4.632  -4.388  -0.119
  373   1HB   LEU  48          2HB       LEU  48  -5.481  -4.735   2.448
  374   2HB   LEU  48          1HB       LEU  48  -4.592  -5.946   1.536
  375    HG   LEU  48           HG       LEU  48  -3.206  -3.843   3.205
  376   1HD1  LEU  48          2HD1      LEU  48  -4.550  -6.374   4.010
  377   2HD1  LEU  48          1HD1      LEU  48  -2.951  -6.076   4.693
  378   3HD1  LEU  48          3HD1      LEU  48  -4.251  -4.912   4.948
  379   1HD2  LEU  48          1HD2      LEU  48  -2.242  -5.565   1.309
  380   2HD2  LEU  48          3HD2      LEU  48  -1.290  -4.962   2.666
  381   3HD2  LEU  48          2HD2      LEU  48  -2.069  -6.540   2.768
  382    H    ALA  49           H        ALA  49  -6.875  -3.678   0.607
  383    HA   ALA  49           HA       ALA  49  -6.894  -0.750   0.820
  384   1HB   ALA  49          3HB       ALA  49  -8.529  -2.573  -0.439
  385   2HB   ALA  49          2HB       ALA  49  -9.475  -2.155   0.990
  386   3HB   ALA  49          1HB       ALA  49  -8.955  -0.891  -0.125
  387    H    GLU  50           H        GLU  50  -8.166   0.370   2.483
  388    HA   GLU  50           HA       GLU  50  -8.060  -1.091   5.080
  389   1HB   GLU  50          2HB       GLU  50  -7.333   1.570   4.253
  390   2HB   GLU  50          1HB       GLU  50  -8.583   1.664   5.495
  391   1HG   GLU  50          2HG       GLU  50  -6.199  -0.157   5.813
  392   2HG   GLU  50          1HG       GLU  50  -6.125   1.540   6.289
  393    H    ALA  51           H        ALA  51 -10.272  -0.605   2.777
  394    HA   ALA  51           HA       ALA  51 -12.532  -1.159   4.358
  395   1HB   ALA  51          1HB       ALA  51 -11.938   1.766   4.021
  396   2HB   ALA  51          3HB       ALA  51 -13.614   1.220   4.059
  397   3HB   ALA  51          2HB       ALA  51 -12.556   0.912   5.435
  398    H    ASP  52           H        ASP  52 -14.570  -0.970   3.081
  399    HA   ASP  52           HA       ASP  52 -14.189  -1.704   0.360
  400   1HB   ASP  52          2HB       ASP  52 -16.219  -2.459   1.129
  401   2HB   ASP  52          1HB       ASP  52 -16.531  -1.010   2.079
  402    H    GLY  53           H        GLY  53 -15.304  -0.449  -1.479
  403   1HA   GLY  53          2HA       GLY  53 -15.911   2.146  -1.793
  404   2HA   GLY  53          1HA       GLY  53 -14.180   2.292  -1.465
  405    H    VAL  54           H        VAL  54 -14.164   3.202  -3.722
  406    HA   VAL  54           HA       VAL  54 -13.845   0.973  -5.679
  407    HB   VAL  54           HB       VAL  54 -15.309   3.591  -6.072
  408   1HG1  VAL  54          1HG1      VAL  54 -13.826   1.894  -8.014
  409   2HG1  VAL  54          3HG1      VAL  54 -15.434   2.428  -8.506
  410   3HG1  VAL  54          2HG1      VAL  54 -14.201   3.615  -8.082
  411   1HG2  VAL  54          3HG2      VAL  54 -16.147   1.003  -5.458
  412   2HG2  VAL  54          2HG2      VAL  54 -17.161   2.292  -6.105
  413   3HG2  VAL  54          1HG2      VAL  54 -16.408   1.130  -7.198
  414    H    ILE  55           H        ILE  55 -11.775   0.987  -6.366
  415    HA   ILE  55           HA       ILE  55  -9.809   2.848  -5.769
  416    HB   ILE  55           HB       ILE  55  -9.845   1.424  -8.424
  417   1HG1  ILE  55          2HG1      ILE  55  -8.661  -0.323  -6.678
  418   2HG1  ILE  55          1HG1      ILE  55  -9.964   0.325  -5.687
  419   1HG2  ILE  55          2HG2      ILE  55  -7.859   2.674  -6.632
  420   2HG2  ILE  55          1HG2      ILE  55  -7.391   1.089  -7.249
  421   3HG2  ILE  55          3HG2      ILE  55  -7.784   2.392  -8.371
  422   1HD1  ILE  55          3HD1      ILE  55 -10.945  -0.190  -8.340
  423   2HD1  ILE  55          2HD1      ILE  55 -10.161  -1.639  -7.712
  424   3HD1  ILE  55          1HD1      ILE  55 -11.479  -0.888  -6.812
  425    H    ALA  56           H        ALA  56  -8.612   4.218  -7.554
  426    HA   ALA  56           HA       ALA  56 -10.696   5.882  -8.907
  427   1HB   ALA  56          2HB       ALA  56  -9.312   6.954  -7.067
  428   2HB   ALA  56          1HB       ALA  56  -7.906   6.753  -8.114
  429   3HB   ALA  56          3HB       ALA  56  -9.246   7.779  -8.624
  430    H    GLU  57           H        GLU  57  -7.203   5.141  -9.270
  431    HA   GLU  57           HA       GLU  57  -7.409   3.992 -11.852
  432   1HB   GLU  57          2HB       GLU  57  -7.846   6.797 -11.880
  433   2HB   GLU  57          1HB       GLU  57  -6.238   6.526 -12.553
  434   1HG   GLU  57          2HG       GLU  57  -7.564   4.548 -13.812
  435   2HG   GLU  57          1HG       GLU  57  -8.895   5.686 -13.598
  436    H    ILE  58           H        ILE  58  -5.411   3.156 -12.400
  437    HA   ILE  58           HA       ILE  58  -3.164   3.842 -10.588
  438    HB   ILE  58           HB       ILE  58  -3.357   1.622 -12.646
  439   1HG1  ILE  58          2HG1      ILE  58  -5.102   1.243 -11.041
  440   2HG1  ILE  58          1HG1      ILE  58  -3.754   0.206 -10.561
  441   1HG2  ILE  58          3HG2      ILE  58  -1.070   2.353 -11.845
  442   2HG2  ILE  58          2HG2      ILE  58  -1.567   1.892 -10.216
  443   3HG2  ILE  58          1HG2      ILE  58  -1.468   0.672 -11.487
  444   1HD1  ILE  58          3HD1      ILE  58  -3.016   2.076  -9.009
  445   2HD1  ILE  58          2HD1      ILE  58  -4.553   2.867  -9.356
  446   3HD1  ILE  58          1HD1      ILE  58  -4.530   1.291  -8.564
  447    H    VAL  59           H        VAL  59  -1.483   5.074 -11.294
  448    HA   VAL  59           HA       VAL  59  -1.463   5.927 -14.122
  449    HB   VAL  59           HB       VAL  59   0.237   6.803 -11.766
  450   1HG1  VAL  59          3HG1      VAL  59   0.253   7.427 -14.662
  451   2HG1  VAL  59          2HG1      VAL  59   0.317   8.826 -13.589
  452   3HG1  VAL  59          1HG1      VAL  59   1.548   7.568 -13.473
  453   1HG2  VAL  59          1HG2      VAL  59  -2.166   7.359 -11.541
  454   2HG2  VAL  59          3HG2      VAL  59  -1.199   8.810 -11.810
  455   3HG2  VAL  59          2HG2      VAL  59  -2.136   8.117 -13.134
  456    H    LYS  60           H        LYS  60   0.490   4.049 -11.860
  457    HA   LYS  60           HA       LYS  60   2.540   3.621 -13.968
  458   1HB   LYS  60          2HB       LYS  60   2.559   3.684 -11.085
  459   2HB   LYS  60          1HB       LYS  60   3.168   2.128 -11.647
  460   1HG   LYS  60          2HG       LYS  60   4.827   3.195 -13.037
  461   2HG   LYS  60          1HG       LYS  60   4.129   4.786 -12.735
  462   1HD   LYS  60          2HD       LYS  60   5.333   2.997 -10.602
  463   2HD   LYS  60          1HD       LYS  60   6.157   4.366 -11.350
  464   1HE   LYS  60          2HE       LYS  60   5.114   5.813  -9.978
  465   2HE   LYS  60          1HE       LYS  60   3.537   5.172 -10.439
  466   1HZ   LYS  60          3HZ       LYS  60   3.875   3.359  -8.852
  467   2HZ   LYS  60          2HZ       LYS  60   5.354   4.046  -8.378
  468   3HZ   LYS  60          1HZ       LYS  60   3.899   4.874  -8.090
  469    H    ASN  61           H        ASN  61   2.963   1.540 -14.801
  470    HA   ASN  61           HA       ASN  61   0.813  -0.464 -14.258
  471   1HB   ASN  61          2HB       ASN  61   2.614  -0.204 -16.686
  472   2HB   ASN  61          1HB       ASN  61   1.286  -1.349 -16.494
  473   1HD2  ASN  61          2HD2      ASN  61   0.423   2.609 -17.192
  474   2HD2  ASN  61          1HD2      ASN  61   1.971   2.176 -16.621
  475    H    GLU  62           H        GLU  62   1.622  -2.797 -14.598
  476    HA   GLU  62           HA       GLU  62   3.752  -3.324 -12.756
  477   1HB   GLU  62          2HB       GLU  62   2.647  -5.201 -14.867
  478   2HB   GLU  62          1HB       GLU  62   3.475  -5.654 -13.377
  479   1HG   GLU  62          2HG       GLU  62   1.675  -4.856 -12.019
  480   2HG   GLU  62          1HG       GLU  62   0.916  -4.039 -13.389
  481    H    GLY  63           H        GLY  63   5.879  -4.132 -13.182
  482   1HA   GLY  63          2HA       GLY  63   7.802  -4.569 -14.514
  483   2HA   GLY  63          1HA       GLY  63   6.856  -4.180 -15.956
  484    H    ASP  64           H        ASP  64   6.355  -1.785 -13.672
  485    HA   ASP  64           HA       ASP  64   8.360  -0.050 -15.036
  486   1HB   ASP  64          2HB       ASP  64   6.364   1.037 -15.389
  487   2HB   ASP  64          1HB       ASP  64   5.623   0.400 -13.921
  488    H    THR  65           H        THR  65   9.151   1.784 -13.554
  489    HA   THR  65           HA       THR  65  10.081   0.530 -11.019
  490    HB   THR  65           HB       THR  65  11.715   1.500 -12.724
  491    HG1  THR  65           HG1      THR  65  12.944   2.473 -11.057
  492   1HG2  THR  65          1HG2      THR  65  10.361   3.501 -13.270
  493   2HG2  THR  65          3HG2      THR  65  10.606   4.099 -11.629
  494   3HG2  THR  65          2HG2      THR  65  11.980   3.937 -12.723
  495    H    VAL  66           H        VAL  66   9.993   1.765  -9.031
  496    HA   VAL  66           HA       VAL  66   7.985   3.984  -9.088
  497    HB   VAL  66           HB       VAL  66   7.241   3.161  -6.839
  498   1HG1  VAL  66          1HG1      VAL  66   6.716   2.064  -9.419
  499   2HG1  VAL  66          3HG1      VAL  66   6.706   0.732  -8.263
  500   3HG1  VAL  66          2HG1      VAL  66   5.640   2.116  -8.023
  501   1HG2  VAL  66          3HG2      VAL  66   9.006   0.797  -7.560
  502   2HG2  VAL  66          2HG2      VAL  66   9.310   1.945  -6.256
  503   3HG2  VAL  66          1HG2      VAL  66   7.912   0.874  -6.178
  504    H    LEU  67           H        LEU  67   8.558   5.805  -7.938
  505    HA   LEU  67           HA       LEU  67  11.275   5.822  -6.760
  506   1HB   LEU  67          2HB       LEU  67   9.910   7.645  -8.320
  507   2HB   LEU  67          1HB       LEU  67   9.739   8.327  -6.702
  508    HG   LEU  67           HG       LEU  67  12.418   7.414  -6.932
  509   1HD1  LEU  67          2HD1      LEU  67  11.547   7.800  -9.478
  510   2HD1  LEU  67          1HD1      LEU  67  12.064   9.437  -9.070
  511   3HD1  LEU  67          3HD1      LEU  67  13.208   8.098  -8.965
  512   1HD2  LEU  67          3HD2      LEU  67  11.167  10.178  -6.976
  513   2HD2  LEU  67          2HD2      LEU  67  11.692   9.285  -5.548
  514   3HD2  LEU  67          1HD2      LEU  67  12.882   9.868  -6.711
  515    H    SER  68           H        SER  68  11.564   6.976  -4.643
  516    HA   SER  68           HA       SER  68  10.014   5.825  -2.580
  517   1HB   SER  68          2HB       SER  68  12.273   6.826  -2.258
  518   2HB   SER  68          1HB       SER  68  11.570   8.428  -2.461
  519    HG   SER  68           HG       SER  68  11.046   8.323  -0.439
  520    H    GLY  69           H        GLY  69   7.959   6.257  -1.954
  521   1HA   GLY  69          2HA       GLY  69   5.981   7.455  -1.535
  522   2HA   GLY  69          1HA       GLY  69   6.940   8.932  -1.642
  523    H    GLU  70           H        GLU  70   6.651   6.500  -4.195
  524    HA   GLU  70           HA       GLU  70   5.865   8.582  -6.094
  525   1HB   GLU  70          2HB       GLU  70   7.374   6.553  -6.576
  526   2HB   GLU  70          1HB       GLU  70   5.886   5.607  -6.621
  527   1HG   GLU  70          2HG       GLU  70   6.530   6.373  -8.883
  528   2HG   GLU  70          1HG       GLU  70   4.991   7.074  -8.383
  529    H    LEU  71           H        LEU  71   3.811   8.941  -6.886
  530    HA   LEU  71           HA       LEU  71   1.576   7.745  -5.441
  531   1HB   LEU  71          2HB       LEU  71   1.504  10.105  -6.131
  532   2HB   LEU  71          1HB       LEU  71   1.618   9.623  -7.823
  533    HG   LEU  71           HG       LEU  71  -0.557   8.414  -6.167
  534   1HD1  LEU  71          1HD1      LEU  71  -0.487  10.930  -5.718
  535   2HD1  LEU  71          3HD1      LEU  71  -0.842  11.147  -7.433
  536   3HD1  LEU  71          2HD1      LEU  71  -1.995  10.309  -6.393
  537   1HD2  LEU  71          2HD2      LEU  71   0.218   8.469  -8.877
  538   2HD2  LEU  71          1HD2      LEU  71  -1.269   7.789  -8.215
  539   3HD2  LEU  71          3HD2      LEU  71  -1.240   9.458  -8.784
  540    H    LEU  72           H        LEU  72   0.755   5.790  -5.994
  541    HA   LEU  72           HA       LEU  72   1.140   4.819  -8.780
  542   1HB   LEU  72          2HB       LEU  72   0.003   3.184  -6.519
  543   2HB   LEU  72          1HB       LEU  72   0.887   2.635  -7.942
  544    HG   LEU  72           HG       LEU  72   2.593   4.439  -6.570
  545   1HD1  LEU  72          2HD1      LEU  72   1.137   2.485  -4.783
  546   2HD1  LEU  72          1HD1      LEU  72   2.759   3.061  -4.400
  547   3HD1  LEU  72          3HD1      LEU  72   1.421   4.204  -4.516
  548   1HD2  LEU  72          2HD2      LEU  72   2.676   1.935  -7.797
  549   2HD2  LEU  72          1HD2      LEU  72   4.045   2.779  -7.073
  550   3HD2  LEU  72          3HD2      LEU  72   3.134   1.602  -6.127
  551    H    GLY  73           H        GLY  73  -1.244   6.150  -6.724
  552   1HA   GLY  73          2HA       GLY  73  -3.245   6.518  -8.568
  553   2HA   GLY  73          1HA       GLY  73  -3.536   4.867  -8.010
  554    H    LYS  74           H        LYS  74  -5.612   6.032  -7.276
  555    HA   LYS  74           HA       LYS  74  -5.273   6.711  -4.420
  556   1HB   LYS  74          2HB       LYS  74  -6.969   8.671  -4.890
  557   2HB   LYS  74          1HB       LYS  74  -5.241   8.931  -5.138
  558   1HG   LYS  74          2HG       LYS  74  -5.592   8.244  -7.555
  559   2HG   LYS  74          1HG       LYS  74  -7.326   8.307  -7.241
  560   1HD   LYS  74          2HD       LYS  74  -5.740  10.677  -6.395
  561   2HD   LYS  74          1HD       LYS  74  -5.941  10.441  -8.132
  562   1HE   LYS  74          2HE       LYS  74  -8.359  10.374  -7.896
  563   2HE   LYS  74          1HE       LYS  74  -8.225  10.440  -6.139
  564   1HZ   LYS  74          1HZ       LYS  74  -6.815  12.561  -7.455
  565   2HZ   LYS  74          3HZ       LYS  74  -8.477  12.580  -7.792
  566   3HZ   LYS  74          2HZ       LYS  74  -7.937  12.632  -6.182
  567    H    LEU  75           H        LEU  75  -7.256   6.425  -3.224
  568    HA   LEU  75           HA       LEU  75  -9.246   4.764  -4.697
  569   1HB   LEU  75          2HB       LEU  75  -8.000   3.889  -2.622
  570   2HB   LEU  75          1HB       LEU  75  -8.994   5.015  -1.697
  571    HG   LEU  75           HG       LEU  75 -10.694   3.599  -3.515
  572   1HD1  LEU  75          3HD1      LEU  75  -8.823   1.908  -3.445
  573   2HD1  LEU  75          2HD1      LEU  75  -9.074   1.787  -1.703
  574   3HD1  LEU  75          1HD1      LEU  75 -10.357   1.308  -2.815
  575   1HD2  LEU  75          3HD2      LEU  75 -11.020   4.674  -1.142
  576   2HD2  LEU  75          2HD2      LEU  75 -11.960   3.247  -1.576
  577   3HD2  LEU  75          1HD2      LEU  75 -10.531   3.084  -0.555
  578    H    THR  76           H        THR  76 -11.534   5.124  -4.220
  579    HA   THR  76           HA       THR  76 -12.098   7.997  -3.758
  580    HB   THR  76           HB       THR  76 -14.106   5.874  -4.520
  581    HG1  THR  76           HG1      THR  76 -13.468   6.981  -6.689
  582   1HG2  THR  76          3HG2      THR  76 -13.910   8.870  -4.667
  583   2HG2  THR  76          2HG2      THR  76 -14.962   7.996  -5.779
  584   3HG2  THR  76          1HG2      THR  76 -15.224   7.874  -4.040
  585    H    GLU  77           H        GLU  77 -14.169   8.436  -2.440
  586    HA   GLU  77           HA       GLU  77 -13.826   7.596   0.230
  587   1HB   GLU  77          2HB       GLU  77 -16.204   8.724  -1.253
  588   2HB   GLU  77          1HB       GLU  77 -16.291   8.335   0.466
  589   1HG   GLU  77          2HG       GLU  77 -14.262   9.778   0.824
  590   2HG   GLU  77          1HG       GLU  77 -14.376  10.271  -0.865
  591    H    GLY  78           H        GLY  78 -14.500   5.808   1.360
  592   1HA   GLY  78          2HA       GLY  78 -15.680   3.596  -0.167
  593   2HA   GLY  78          1HA       GLY  78 -15.129   3.522   1.508
  594    H    GLY  79           HN       GLY  79 -17.811   3.015  -0.111
  595   1HA   GLY  79          2HA       GLY  79 -19.517   3.997   2.110
  596   2HA   GLY  79          1HA       GLY  79 -19.976   4.447   0.466
   
  No H/Q in entry =         596
  Start of MODEL    7
    1   1H    ALA   1          2H        ALA   1 -10.474   9.145   2.556
    2   2H    ALA   1          1H        ALA   1 -11.789   9.624   1.594
    3   3H    ALA   1          3H        ALA   1 -11.449   7.976   1.801
    4    HA   ALA   1           HA       ALA   1 -10.386   8.129  -0.142
    5   1HB   ALA   1          3HB       ALA   1 -11.236  10.762   0.126
    6   2HB   ALA   1          2HB       ALA   1  -9.492  10.914  -0.082
    7   3HB   ALA   1          1HB       ALA   1 -10.454  10.073  -1.297
    8    H    ILE   2           H        ILE   2  -8.345   7.323  -0.280
    9    HA   ILE   2           HA       ILE   2  -6.229   8.581   1.417
   10    HB   ILE   2           HB       ILE   2  -6.214   5.632   0.853
   11   1HG1  ILE   2          2HG1      ILE   2  -8.471   6.188   1.775
   12   2HG1  ILE   2          1HG1      ILE   2  -7.505   5.219   2.888
   13   1HG2  ILE   2          1HG2      ILE   2  -4.802   7.570   2.522
   14   2HG2  ILE   2          3HG2      ILE   2  -5.377   6.183   3.450
   15   3HG2  ILE   2          2HG2      ILE   2  -4.324   5.938   2.055
   16   1HD1  ILE   2          1HD1      ILE   2  -6.869   7.932   3.415
   17   2HD1  ILE   2          3HD1      ILE   2  -8.627   7.837   3.300
   18   3HD1  ILE   2          2HD1      ILE   2  -7.762   6.816   4.449
   19    H    ASP   3           H        ASP   3  -3.981   7.856   0.599
   20    HA   ASP   3           HA       ASP   3  -4.046   7.799  -2.392
   21   1HB   ASP   3          2HB       ASP   3  -3.137   9.896  -1.318
   22   2HB   ASP   3          1HB       ASP   3  -1.844   8.909  -0.629
   23    H    ILE   4           H        ILE   4  -2.838   6.222  -3.414
   24    HA   ILE   4           HA       ILE   4  -1.460   4.269  -1.626
   25    HB   ILE   4           HB       ILE   4  -2.322   3.841  -4.498
   26   1HG1  ILE   4          2HG1      ILE   4  -3.941   2.532  -2.459
   27   2HG1  ILE   4          1HG1      ILE   4  -4.013   4.288  -2.310
   28   1HG2  ILE   4          1HG2      ILE   4  -1.391   2.086  -2.226
   29   2HG2  ILE   4          3HG2      ILE   4  -2.324   1.424  -3.568
   30   3HG2  ILE   4          2HG2      ILE   4  -0.760   2.179  -3.871
   31   1HD1  ILE   4          1HD1      ILE   4  -4.462   2.766  -4.894
   32   2HD1  ILE   4          3HD1      ILE   4  -5.751   3.381  -3.860
   33   3HD1  ILE   4          2HD1      ILE   4  -4.647   4.503  -4.655
   34    H    LYS   5           H        LYS   5   0.367   5.930  -1.679
   35    HA   LYS   5           HA       LYS   5   1.913   5.808  -4.225
   36   1HB   LYS   5          2HB       LYS   5   3.218   7.663  -3.325
   37   2HB   LYS   5          1HB       LYS   5   1.501   8.050  -3.196
   38   1HG   LYS   5          2HG       LYS   5   1.802   6.866  -0.818
   39   2HG   LYS   5          1HG       LYS   5   3.466   7.407  -1.043
   40   1HD   LYS   5          2HD       LYS   5   1.314   9.377  -1.642
   41   2HD   LYS   5          1HD       LYS   5   1.593   8.987   0.054
   42   1HE   LYS   5          2HE       LYS   5   4.159   9.288  -0.894
   43   2HE   LYS   5          1HE       LYS   5   3.278  10.503  -1.821
   44   1HZ   LYS   5          3HZ       LYS   5   2.661  10.340   1.017
   45   2HZ   LYS   5          2HZ       LYS   5   4.201  10.937   0.621
   46   3HZ   LYS   5          1HZ       LYS   5   2.809  11.700   0.014
   47    H    ALA   6           H        ALA   6   4.103   5.081  -4.188
   48    HA   ALA   6           HA       ALA   6   4.651   2.878  -2.462
   49   1HB   ALA   6          2HB       ALA   6   6.005   4.294  -4.625
   50   2HB   ALA   6          1HB       ALA   6   7.135   3.753  -3.384
   51   3HB   ALA   6          3HB       ALA   6   6.083   2.588  -4.186
   52    HA   PRO   7           HA       PRO   7   6.389   4.812   1.073
   53   1HB   PRO   7          2HB       PRO   7   8.140   2.843   1.860
   54   2HB   PRO   7          1HB       PRO   7   6.384   2.728   2.062
   55   1HG   PRO   7          2HG       PRO   7   8.140   1.344   0.088
   56   2HG   PRO   7          1HG       PRO   7   6.576   0.837   0.747
   57   1HD   PRO   7          2HD       PRO   7   7.007   1.982  -1.807
   58   2HD   PRO   7          1HD       PRO   7   5.433   1.779  -1.003
   59    H    THR   8           H        THR   8   8.760   5.099   2.116
   60    HA   THR   8           HA       THR   8  10.428   6.235  -0.051
   61    HB   THR   8           HB       THR   8  10.615   6.466   2.969
   62    HG1  THR   8           HG1      THR   8   9.860   8.553   2.547
   63   1HG2  THR   8          2HG2      THR   8  12.563   6.966   0.935
   64   2HG2  THR   8          1HG2      THR   8  12.029   8.517   1.583
   65   3HG2  THR   8          3HG2      THR   8  12.683   7.287   2.665
   66    H    PHE   9           H        PHE   9  12.279   5.250  -0.725
   67    HA   PHE   9           HA       PHE   9  13.053   2.699   0.487
   68   1HB   PHE   9          2HB       PHE   9  14.458   4.237  -1.716
   69   2HB   PHE   9          1HB       PHE   9  14.612   2.515  -1.351
   70    HD1  PHE   9           HD1      PHE   9  12.111   1.358  -1.111
   71    HD2  PHE   9           HD2      PHE   9  13.165   4.707  -3.589
   72    HE1  PHE   9           HE1      PHE   9  10.180   0.870  -2.590
   73    HE2  PHE   9           HE2      PHE   9  11.233   4.221  -5.068
   74    HZ   PHE   9           HZ       PHE   9   9.741   2.302  -4.569
   75    HA   PRO  10           HA       PRO  10  16.194   4.346   3.084
   76   1HB   PRO  10          2HB       PRO  10  17.661   2.043   3.406
   77   2HB   PRO  10          1HB       PRO  10  16.110   2.337   4.212
   78   1HG   PRO  10          2HG       PRO  10  16.716   0.553   1.899
   79   2HG   PRO  10          1HG       PRO  10  15.423   0.430   3.103
   80   1HD   PRO  10          2HD       PRO  10  15.140   1.402   0.459
   81   2HD   PRO  10          1HD       PRO  10  13.950   1.576   1.770
   82    H    GLU  11           H        GLU  11  18.863   3.660   3.174
   83    HA   GLU  11           HA       GLU  11  19.913   4.958   0.800
   84   1HB   GLU  11          2HB       GLU  11  22.088   4.702   1.869
   85   2HB   GLU  11          1HB       GLU  11  20.913   5.212   3.082
   86   1HG   GLU  11          2HG       GLU  11  20.605   2.791   3.698
   87   2HG   GLU  11          1HG       GLU  11  21.939   2.400   2.610
   88    H    SER  12           H        SER  12  19.975   1.636   2.075
   89    HA   SER  12           HA       SER  12  21.707   0.359   0.361
   90   1HB   SER  12          2HB       SER  12  20.440  -0.867   2.050
   91   2HB   SER  12          1HB       SER  12  18.939  -0.579   1.170
   92    HG   SER  12           HG       SER  12  20.750  -2.518   0.832
   93    H    ILE  13           H        ILE  13  18.224   0.335  -0.435
   94    HA   ILE  13           HA       ILE  13  18.945   0.251  -3.301
   95    HB   ILE  13           HB       ILE  13  16.151   0.228  -2.149
   96   1HG1  ILE  13          2HG1      ILE  13  16.880  -2.415  -2.644
   97   2HG1  ILE  13          1HG1      ILE  13  18.290  -1.740  -1.829
   98   1HG2  ILE  13          3HG2      ILE  13  17.004   0.313  -4.724
   99   2HG2  ILE  13          2HG2      ILE  13  16.985  -1.430  -4.463
  100   3HG2  ILE  13          1HG2      ILE  13  15.513  -0.489  -4.226
  101   1HD1  ILE  13          3HD1      ILE  13  15.461  -1.410  -0.802
  102   2HD1  ILE  13          2HD1      ILE  13  16.539  -2.702  -0.274
  103   3HD1  ILE  13          1HD1      ILE  13  16.958  -1.019   0.043
  104    H    ALA  14           H        ALA  14  18.159   1.820  -4.811
  105    HA   ALA  14           HA       ALA  14  17.288   4.392  -3.549
  106   1HB   ALA  14          3HB       ALA  14  19.630   4.442  -4.434
  107   2HB   ALA  14          2HB       ALA  14  18.996   4.059  -6.035
  108   3HB   ALA  14          1HB       ALA  14  18.561   5.580  -5.255
  109    H    ASP  15           H        ASP  15  15.620   2.217  -4.656
  110    HA   ASP  15           HA       ASP  15  13.789   3.794  -6.180
  111   1HB   ASP  15          2HB       ASP  15  14.081   2.238  -8.298
  112   2HB   ASP  15          1HB       ASP  15  15.076   3.682  -8.117
  113    H    GLY  16           H        GLY  16  12.328   1.951  -7.523
  114   1HA   GLY  16          2HA       GLY  16  12.109  -0.518  -5.937
  115   2HA   GLY  16          1HA       GLY  16  10.762   0.608  -5.758
  116    H    THR  17           H        THR  17  10.016  -1.734  -6.776
  117    HA   THR  17           HA       THR  17   9.370  -1.059  -9.579
  118    HB   THR  17           HB       THR  17  10.681  -3.681  -8.797
  119    HG1  THR  17           HG1      THR  17  12.414  -2.909  -9.772
  120   1HG2  THR  17          3HG2      THR  17   9.054  -2.820 -11.100
  121   2HG2  THR  17          2HG2      THR  17  10.579  -3.595 -11.530
  122   3HG2  THR  17          1HG2      THR  17   9.411  -4.446 -10.519
  123    H    VAL  18           H        VAL  18   7.180  -1.206  -9.568
  124    HA   VAL  18           HA       VAL  18   5.542  -2.385  -7.661
  125    HB   VAL  18           HB       VAL  18   4.968  -2.335 -10.639
  126   1HG1  VAL  18          1HG1      VAL  18   3.318  -2.667  -8.152
  127   2HG1  VAL  18          3HG1      VAL  18   2.608  -1.878  -9.560
  128   3HG1  VAL  18          2HG1      VAL  18   3.208  -3.532  -9.686
  129   1HG2  VAL  18          3HG2      VAL  18   5.496  -0.198  -8.809
  130   2HG2  VAL  18          2HG2      VAL  18   4.983  -0.088 -10.493
  131   3HG2  VAL  18          1HG2      VAL  18   3.779  -0.167  -9.206
  132    H    ALA  19           H        ALA  19   4.128  -4.404  -7.989
  133    HA   ALA  19           HA       ALA  19   5.874  -6.633  -8.954
  134   1HB   ALA  19          3HB       ALA  19   5.029  -6.320  -6.427
  135   2HB   ALA  19          2HB       ALA  19   3.619  -7.158  -7.074
  136   3HB   ALA  19          1HB       ALA  19   5.210  -7.914  -7.158
  137    H    THR  20           H        THR  20   2.381  -6.328  -8.234
  138    HA   THR  20           HA       THR  20   1.678  -6.753 -11.043
  139    HB   THR  20           HB       THR  20   1.278  -8.936  -8.981
  140    HG1  THR  20           HG1      THR  20   2.861  -9.784 -10.034
  141   1HG2  THR  20          3HG2      THR  20  -0.369  -8.154 -11.254
  142   2HG2  THR  20          2HG2      THR  20   0.245  -9.799 -11.424
  143   3HG2  THR  20          1HG2      THR  20  -0.691  -9.350  -9.998
  144    H    TRP  21           H        TRP  21  -0.345  -5.894 -11.406
  145    HA   TRP  21           HA       TRP  21  -1.802  -4.843  -9.076
  146   1HB   TRP  21          2HB       TRP  21  -1.758  -4.359 -12.020
  147   2HB   TRP  21          1HB       TRP  21  -3.254  -4.017 -11.158
  148    HD1  TRP  21           HD1      TRP  21   0.232  -2.732 -11.700
  149    HE1  TRP  21           HE1      TRP  21   0.559  -0.538 -10.374
  150    HE3  TRP  21           HE3      TRP  21  -4.021  -2.749  -8.870
  151    HZ2  TRP  21           HZ2      TRP  21  -0.776   0.987  -8.407
  152    HZ3  TRP  21           HZ3      TRP  21  -4.470  -0.903  -7.269
  153    HH2  TRP  21           HH2      TRP  21  -2.852   0.966  -7.034
  154    H    HIS  22           H        HIS  22  -2.571  -6.930  -8.293
  155    HA   HIS  22           HA       HIS  22  -3.935  -8.932  -9.642
  156   1HB   HIS  22          2HB       HIS  22  -5.287  -7.910  -7.170
  157   2HB   HIS  22          1HB       HIS  22  -4.888  -9.569  -7.627
  158    HD1  HIS  22           HD1      HIS  22  -3.317  -6.422  -6.269
  159    HD2  HIS  22           HD2      HIS  22  -2.343 -10.442  -6.778
  160    HE1  HIS  22           HE1      HIS  22  -1.091  -6.762  -5.145
  161    H    LYS  23           H        LYS  23  -5.807  -6.310  -8.077
  162    HA   LYS  23           HA       LYS  23  -7.935  -6.710 -10.085
  163   1HB   LYS  23          2HB       LYS  23  -7.700  -5.197  -7.497
  164   2HB   LYS  23          1HB       LYS  23  -8.998  -4.810  -8.626
  165   1HG   LYS  23          2HG       LYS  23  -8.546  -7.693  -8.028
  166   2HG   LYS  23          1HG       LYS  23  -9.265  -6.713  -6.750
  167   1HD   LYS  23          2HD       LYS  23 -11.218  -6.435  -7.887
  168   2HD   LYS  23          1HD       LYS  23 -10.400  -6.266  -9.441
  169   1HE   LYS  23          2HE       LYS  23  -9.890  -8.834  -9.110
  170   2HE   LYS  23          1HE       LYS  23 -11.276  -8.761  -8.023
  171   1HZ   LYS  23          1HZ       LYS  23 -11.530  -7.507 -10.652
  172   2HZ   LYS  23          3HZ       LYS  23 -11.558  -9.201 -10.584
  173   3HZ   LYS  23          2HZ       LYS  23 -12.701  -8.298  -9.709
  174    H    LYS  24           H        LYS  24  -8.997  -4.261 -10.484
  175    HA   LYS  24           HA       LYS  24  -6.781  -2.523 -11.465
  176   1HB   LYS  24          2HB       LYS  24  -9.199  -2.864 -13.193
  177   2HB   LYS  24          1HB       LYS  24  -7.538  -2.490 -13.653
  178   1HG   LYS  24          2HG       LYS  24  -6.862  -4.802 -13.146
  179   2HG   LYS  24          1HG       LYS  24  -8.514  -5.185 -12.661
  180   1HD   LYS  24          2HD       LYS  24  -9.316  -5.129 -14.832
  181   2HD   LYS  24          1HD       LYS  24  -8.076  -3.997 -15.372
  182   1HE   LYS  24          2HE       LYS  24  -7.748  -6.312 -16.272
  183   2HE   LYS  24          1HE       LYS  24  -6.383  -5.741 -15.312
  184   1HZ   LYS  24          3HZ       LYS  24  -8.576  -7.301 -14.095
  185   2HZ   LYS  24          2HZ       LYS  24  -7.260  -8.068 -14.848
  186   3HZ   LYS  24          1HZ       LYS  24  -7.003  -7.053 -13.510
  187    HA   PRO  25           HA       PRO  25  -9.301   0.760 -10.007
  188   1HB   PRO  25          2HB       PRO  25  -8.721   2.731 -11.835
  189   2HB   PRO  25          1HB       PRO  25  -7.594   2.201 -10.574
  190   1HG   PRO  25          2HG       PRO  25  -7.545   1.619 -13.500
  191   2HG   PRO  25          1HG       PRO  25  -6.201   1.693 -12.348
  192   1HD   PRO  25          2HD       PRO  25  -7.400  -0.667 -13.331
  193   2HD   PRO  25          1HD       PRO  25  -6.317  -0.560 -11.927
  194    H    GLY  26           H        GLY  26 -11.513   0.623 -10.211
  195   1HA   GLY  26          2HA       GLY  26 -13.290   1.818 -11.698
  196   2HA   GLY  26          1HA       GLY  26 -12.691   0.724 -12.951
  197    H    GLU  27           H        GLU  27 -12.309  -1.141 -10.384
  198    HA   GLU  27           HA       GLU  27 -15.009  -2.355 -10.692
  199   1HB   GLU  27          2HB       GLU  27 -12.448  -3.502  -9.533
  200   2HB   GLU  27          1HB       GLU  27 -13.960  -4.385  -9.748
  201   1HG   GLU  27          2HG       GLU  27 -12.705  -2.984 -12.093
  202   2HG   GLU  27          1HG       GLU  27 -12.106  -4.566 -11.592
  203    H    ALA  28           H        ALA  28 -15.337  -3.753  -8.403
  204    HA   ALA  28           HA       ALA  28 -15.798  -1.613  -6.432
  205   1HB   ALA  28          2HB       ALA  28 -17.560  -3.302  -6.925
  206   2HB   ALA  28          1HB       ALA  28 -16.495  -4.563  -6.305
  207   3HB   ALA  28          3HB       ALA  28 -17.094  -3.304  -5.224
  208    H    VAL  29           H        VAL  29 -15.313  -2.230  -4.055
  209    HA   VAL  29           HA       VAL  29 -12.821  -3.830  -3.803
  210    HB   VAL  29           HB       VAL  29 -13.152  -0.929  -2.998
  211   1HG1  VAL  29          2HG1      VAL  29 -12.164  -2.239  -1.137
  212   2HG1  VAL  29          1HG1      VAL  29 -10.944  -2.870  -2.243
  213   3HG1  VAL  29          3HG1      VAL  29 -10.983  -1.148  -1.861
  214   1HG2  VAL  29          3HG2      VAL  29 -12.167  -2.049  -5.304
  215   2HG2  VAL  29          2HG2      VAL  29 -11.675  -0.477  -4.673
  216   3HG2  VAL  29          1HG2      VAL  29 -10.704  -1.908  -4.328
  217    H    LYS  30           H        LYS  30 -12.524  -4.682  -1.688
  218    HA   LYS  30           HA       LYS  30 -14.684  -4.079   0.279
  219   1HB   LYS  30          2HB       LYS  30 -14.549  -6.434  -1.233
  220   2HB   LYS  30          1HB       LYS  30 -13.884  -6.876   0.339
  221   1HG   LYS  30          2HG       LYS  30 -15.937  -5.594   1.307
  222   2HG   LYS  30          1HG       LYS  30 -16.614  -5.784  -0.311
  223   1HD   LYS  30          2HD       LYS  30 -16.940  -8.021  -0.050
  224   2HD   LYS  30          1HD       LYS  30 -15.419  -8.237   0.816
  225   1HE   LYS  30          2HE       LYS  30 -16.429  -8.075   2.832
  226   2HE   LYS  30          1HE       LYS  30 -17.355  -6.659   2.337
  227   1HZ   LYS  30          1HZ       LYS  30 -18.048  -9.370   1.388
  228   2HZ   LYS  30          3HZ       LYS  30 -18.636  -8.773   2.863
  229   3HZ   LYS  30          2HZ       LYS  30 -19.019  -7.976   1.413
  230    H    ARG  31           H        ARG  31 -13.931  -3.928   2.367
  231    HA   ARG  31           HA       ARG  31 -11.297  -3.490   3.029
  232   1HB   ARG  31          2HB       ARG  31 -13.303  -3.212   4.545
  233   2HB   ARG  31          1HB       ARG  31 -13.213  -4.944   4.868
  234   1HG   ARG  31          2HG       ARG  31 -10.921  -4.687   5.713
  235   2HG   ARG  31          1HG       ARG  31 -10.971  -2.960   5.356
  236   1HD   ARG  31          2HD       ARG  31 -11.650  -2.801   7.530
  237   2HD   ARG  31          1HD       ARG  31 -13.226  -3.212   6.853
  238    HE   ARG  31           HE       ARG  31 -12.059  -5.674   7.359
  239   1HH1  ARG  31          1HH2      ARG  31 -10.590  -4.247   9.561
  240   2HH1  ARG  31          2HH2      ARG  31 -11.683  -4.423  10.892
  241   1HH2  ARG  31          2HH1      ARG  31 -14.388  -5.285   8.901
  242   2HH2  ARG  31          1HH1      ARG  31 -13.834  -5.010  10.519
  243    H    ASP  32           H        ASP  32  -9.532  -4.764   3.710
  244    HA   ASP  32           HA       ASP  32  -8.210  -6.695   3.898
  245   1HB   ASP  32          2HB       ASP  32 -10.139  -7.440   5.371
  246   2HB   ASP  32          1HB       ASP  32 -10.821  -8.230   3.950
  247    H    GLU  33           H        GLU  33  -8.561  -5.681   1.363
  248    HA   GLU  33           HA       GLU  33  -8.595  -8.178  -0.262
  249   1HB   GLU  33          2HB       GLU  33 -10.765  -7.108  -0.628
  250   2HB   GLU  33          1HB       GLU  33  -9.971  -5.574  -0.987
  251   1HG   GLU  33          2HG       GLU  33  -9.772  -6.191  -3.139
  252   2HG   GLU  33          1HG       GLU  33  -8.781  -7.563  -2.646
  253    H    LEU  34           H        LEU  34  -6.444  -8.262  -0.799
  254    HA   LEU  34           HA       LEU  34  -4.566  -6.258  -0.971
  255   1HB   LEU  34          2HB       LEU  34  -4.103  -8.680  -1.336
  256   2HB   LEU  34          1HB       LEU  34  -4.812  -8.546  -2.945
  257    HG   LEU  34           HG       LEU  34  -3.124  -6.889  -3.581
  258   1HD1  LEU  34          2HD1      LEU  34  -2.113  -7.304  -0.751
  259   2HD1  LEU  34          1HD1      LEU  34  -1.247  -6.414  -2.004
  260   3HD1  LEU  34          3HD1      LEU  34  -2.797  -5.819  -1.410
  261   1HD2  LEU  34          2HD2      LEU  34  -2.015  -9.402  -2.292
  262   2HD2  LEU  34          1HD2      LEU  34  -2.527  -9.208  -3.968
  263   3HD2  LEU  34          3HD2      LEU  34  -1.091  -8.368  -3.383
  264    H    ILE  35           H        ILE  35  -3.626  -5.186  -2.966
  265    HA   ILE  35           HA       ILE  35  -5.642  -4.666  -5.084
  266    HB   ILE  35           HB       ILE  35  -4.307  -2.536  -3.389
  267   1HG1  ILE  35          2HG1      ILE  35  -7.210  -3.275  -3.887
  268   2HG1  ILE  35          1HG1      ILE  35  -6.318  -3.519  -2.384
  269   1HG2  ILE  35          2HG2      ILE  35  -4.975  -2.449  -6.134
  270   2HG2  ILE  35          1HG2      ILE  35  -6.249  -1.565  -5.294
  271   3HG2  ILE  35          3HG2      ILE  35  -4.562  -1.086  -5.093
  272   1HD1  ILE  35          1HD1      ILE  35  -5.912  -1.015  -2.340
  273   2HD1  ILE  35          3HD1      ILE  35  -7.058  -0.882  -3.675
  274   3HD1  ILE  35          2HD1      ILE  35  -7.593  -1.499  -2.111
  275    H    VAL  36           H        VAL  36  -2.338  -3.927  -3.928
  276    HA   VAL  36           HA       VAL  36  -1.305  -4.642  -6.596
  277    HB   VAL  36           HB       VAL  36  -1.828  -2.209  -6.749
  278   1HG1  VAL  36          1HG1      VAL  36   0.153  -2.040  -4.457
  279   2HG1  VAL  36          3HG1      VAL  36  -0.451  -0.654  -5.367
  280   3HG1  VAL  36          2HG1      VAL  36  -1.559  -1.620  -4.392
  281   1HG2  VAL  36          1HG2      VAL  36   1.115  -2.946  -6.663
  282   2HG2  VAL  36          3HG2      VAL  36   0.039  -3.103  -8.050
  283   3HG2  VAL  36          2HG2      VAL  36   0.467  -1.504  -7.444
  284    H    ASP  37           H        ASP  37   0.687  -5.598  -6.405
  285    HA   ASP  37           HA       ASP  37   1.859  -5.710  -3.680
  286   1HB   ASP  37          2HB       ASP  37   2.013  -7.410  -6.140
  287   2HB   ASP  37          1HB       ASP  37   3.374  -7.443  -5.018
  288    H    ILE  38           H        ILE  38   4.285  -5.572  -3.535
  289    HA   ILE  38           HA       ILE  38   5.448  -3.797  -5.634
  290    HB   ILE  38           HB       ILE  38   5.876  -3.378  -2.666
  291   1HG1  ILE  38          2HG1      ILE  38   4.098  -1.709  -4.455
  292   2HG1  ILE  38          1HG1      ILE  38   3.462  -3.041  -3.490
  293   1HG2  ILE  38          1HG2      ILE  38   7.015  -2.314  -5.103
  294   2HG2  ILE  38          3HG2      ILE  38   6.231  -1.028  -4.185
  295   3HG2  ILE  38          2HG2      ILE  38   7.490  -2.007  -3.433
  296   1HD1  ILE  38          3HD1      ILE  38   5.002  -0.665  -2.402
  297   2HD1  ILE  38          2HD1      ILE  38   3.256  -0.894  -2.284
  298   3HD1  ILE  38          1HD1      ILE  38   4.349  -1.995  -1.444
  299    H    GLU  39           H        GLU  39   7.773  -3.951  -5.791
  300    HA   GLU  39           HA       GLU  39   9.091  -6.032  -4.143
  301   1HB   GLU  39          2HB       GLU  39   9.916  -7.236  -6.111
  302   2HB   GLU  39          1HB       GLU  39   8.152  -7.217  -6.121
  303   1HG   GLU  39          2HG       GLU  39   8.047  -5.629  -7.840
  304   2HG   GLU  39          1HG       GLU  39   9.690  -5.056  -7.542
  305    H    THR  40           H        THR  40  11.333  -5.706  -3.984
  306    HA   THR  40           HA       THR  40  12.520  -3.534  -5.635
  307    HB   THR  40           HB       THR  40  13.187  -3.563  -2.724
  308    HG1  THR  40           HG1      THR  40  11.030  -2.004  -3.509
  309   1HG2  THR  40          2HG2      THR  40  13.738  -1.961  -4.958
  310   2HG2  THR  40          1HG2      THR  40  12.603  -1.019  -3.992
  311   3HG2  THR  40          3HG2      THR  40  14.111  -1.587  -3.276
  312    H    ASP  41           H        ASP  41  15.020  -3.426  -4.606
  313    HA   ASP  41           HA       ASP  41  16.416  -5.561  -5.636
  314   1HB   ASP  41          2HB       ASP  41  17.185  -3.321  -4.375
  315   2HB   ASP  41          1HB       ASP  41  17.480  -4.473  -3.073
  316    H    LYS  42           H        LYS  42  15.841  -5.252  -2.110
  317    HA   LYS  42           HA       LYS  42  15.377  -8.191  -2.021
  318   1HB   LYS  42          2HB       LYS  42  17.553  -6.652  -0.669
  319   2HB   LYS  42          1HB       LYS  42  16.791  -7.963   0.234
  320   1HG   LYS  42          2HG       LYS  42  17.305  -8.833  -2.464
  321   2HG   LYS  42          1HG       LYS  42  18.788  -8.185  -1.762
  322   1HD   LYS  42          2HD       LYS  42  18.088  -9.606   0.334
  323   2HD   LYS  42          1HD       LYS  42  17.111 -10.498  -0.834
  324   1HE   LYS  42          2HE       LYS  42  18.930 -11.575  -1.602
  325   2HE   LYS  42          1HE       LYS  42  19.744 -10.043  -1.920
  326   1HZ   LYS  42          2HZ       LYS  42  19.572 -10.835   0.867
  327   2HZ   LYS  42          1HZ       LYS  42  20.575 -11.798  -0.108
  328   3HZ   LYS  42          3HZ       LYS  42  20.860 -10.131   0.013
  329    H    VAL  43           H        VAL  43  13.405  -6.205  -1.866
  330    HA   VAL  43           HA       VAL  43  12.443  -6.661   0.895
  331    HB   VAL  43           HB       VAL  43  12.274  -3.883  -0.267
  332   1HG1  VAL  43          2HG1      VAL  43  11.110  -5.108   1.921
  333   2HG1  VAL  43          1HG1      VAL  43  12.509  -4.304   2.629
  334   3HG1  VAL  43          3HG1      VAL  43  11.319  -3.369   1.722
  335   1HG2  VAL  43          3HG2      VAL  43  14.681  -4.590  -0.112
  336   2HG2  VAL  43          2HG2      VAL  43  14.269  -3.268   0.981
  337   3HG2  VAL  43          1HG2      VAL  43  14.431  -4.909   1.605
  338    H    VAL  44           H        VAL  44  10.643  -7.818   0.288
  339    HA   VAL  44           HA       VAL  44   8.972  -6.780  -1.941
  340    HB   VAL  44           HB       VAL  44   8.787  -9.375  -0.380
  341   1HG1  VAL  44          3HG1      VAL  44   7.238  -8.203  -2.684
  342   2HG1  VAL  44          2HG1      VAL  44   7.376  -9.951  -2.491
  343   3HG1  VAL  44          1HG1      VAL  44   6.625  -8.980  -1.224
  344   1HG2  VAL  44          3HG2      VAL  44  10.634  -8.585  -2.333
  345   2HG2  VAL  44          2HG2      VAL  44  10.285 -10.240  -1.834
  346   3HG2  VAL  44          1HG2      VAL  44   9.440  -9.538  -3.213
  347    H    MET  45           H        MET  45   6.833  -6.114  -1.601
  348    HA   MET  45           HA       MET  45   5.762  -6.235   1.166
  349   1HB   MET  45          2HB       MET  45   6.367  -3.734  -0.403
  350   2HB   MET  45          1HB       MET  45   5.072  -3.750   0.795
  351   1HG   MET  45          2HG       MET  45   7.610  -4.951   1.712
  352   2HG   MET  45          1HG       MET  45   7.690  -3.220   1.380
  353   1HE   MET  45          2HE       MET  45   8.271  -2.568   3.433
  354   2HE   MET  45          1HE       MET  45   7.286  -2.450   4.890
  355   3HE   MET  45          3HE       MET  45   8.147  -3.950   4.519
  356    H    GLU  46           H        GLU  46   3.433  -5.037   0.998
  357    HA   GLU  46           HA       GLU  46   2.159  -5.743  -1.594
  358   1HB   GLU  46          2HB       GLU  46   0.283  -6.834  -0.239
  359   2HB   GLU  46          1HB       GLU  46   1.791  -7.744  -0.340
  360   1HG   GLU  46          2HG       GLU  46   2.040  -5.994   1.880
  361   2HG   GLU  46          1HG       GLU  46   0.455  -6.757   2.006
  362    H    VAL  47           H        VAL  47  -0.134  -4.873  -1.660
  363    HA   VAL  47           HA       VAL  47  -0.530  -2.574   0.195
  364    HB   VAL  47           HB       VAL  47  -0.890  -2.378  -2.807
  365   1HG1  VAL  47          2HG1      VAL  47  -1.001  -0.418  -0.504
  366   2HG1  VAL  47          1HG1      VAL  47  -0.854   0.099  -2.183
  367   3HG1  VAL  47          3HG1      VAL  47  -2.277  -0.802  -1.660
  368   1HG2  VAL  47          2HG2      VAL  47   1.451  -1.767  -1.018
  369   2HG2  VAL  47          1HG2      VAL  47   1.440  -2.517  -2.614
  370   3HG2  VAL  47          3HG2      VAL  47   1.166  -0.783  -2.455
  371    H    LEU  48           H        LEU  48  -2.332  -3.500   1.193
  372    HA   LEU  48           HA       LEU  48  -4.545  -4.414  -0.562
  373   1HB   LEU  48          2HB       LEU  48  -5.366  -4.969   1.975
  374   2HB   LEU  48          1HB       LEU  48  -4.473  -6.098   0.968
  375    HG   LEU  48           HG       LEU  48  -3.091  -4.115   2.781
  376   1HD1  LEU  48          2HD1      LEU  48  -4.757  -6.100   3.708
  377   2HD1  LEU  48          1HD1      LEU  48  -3.201  -6.926   3.646
  378   3HD1  LEU  48          3HD1      LEU  48  -3.378  -5.450   4.594
  379   1HD2  LEU  48          1HD2      LEU  48  -2.266  -6.038   0.819
  380   2HD2  LEU  48          3HD2      LEU  48  -1.253  -4.993   1.817
  381   3HD2  LEU  48          2HD2      LEU  48  -1.719  -6.590   2.402
  382    H    ALA  49           H        ALA  49  -6.752  -3.691   0.053
  383    HA   ALA  49           HA       ALA  49  -6.782  -0.820   0.573
  384   1HB   ALA  49          2HB       ALA  49  -8.485  -2.668  -0.701
  385   2HB   ALA  49          1HB       ALA  49  -9.398  -2.057   0.679
  386   3HB   ALA  49          3HB       ALA  49  -8.751  -0.934  -0.516
  387    H    GLU  50           H        GLU  50  -7.206   0.164   2.509
  388    HA   GLU  50           HA       GLU  50  -7.514  -1.552   4.883
  389   1HB   GLU  50          2HB       GLU  50  -6.426   1.040   4.333
  390   2HB   GLU  50          1HB       GLU  50  -7.691   1.217   5.549
  391   1HG   GLU  50          2HG       GLU  50  -5.632  -0.969   5.783
  392   2HG   GLU  50          1HG       GLU  50  -5.286   0.662   6.363
  393    H    ALA  51           H        ALA  51  -9.687  -0.736   2.721
  394    HA   ALA  51           HA       ALA  51 -11.945  -1.000   4.423
  395   1HB   ALA  51          1HB       ALA  51 -11.160   1.832   3.719
  396   2HB   ALA  51          3HB       ALA  51 -12.832   1.395   4.074
  397   3HB   ALA  51          2HB       ALA  51 -11.585   1.177   5.301
  398    H    ASP  52           H        ASP  52 -13.948  -0.928   3.191
  399    HA   ASP  52           HA       ASP  52 -13.615  -1.678   0.439
  400   1HB   ASP  52          2HB       ASP  52 -15.523  -2.630   1.299
  401   2HB   ASP  52          1HB       ASP  52 -15.919  -1.229   2.287
  402    H    GLY  53           H        GLY  53 -14.937  -0.512  -1.319
  403   1HA   GLY  53          2HA       GLY  53 -15.788   2.032  -1.536
  404   2HA   GLY  53          1HA       GLY  53 -14.055   2.312  -1.335
  405    H    VAL  54           H        VAL  54 -13.953   3.178  -3.507
  406    HA   VAL  54           HA       VAL  54 -13.888   1.025  -5.571
  407    HB   VAL  54           HB       VAL  54 -15.155   3.765  -5.811
  408   1HG1  VAL  54          2HG1      VAL  54 -13.672   3.265  -7.760
  409   2HG1  VAL  54          1HG1      VAL  54 -14.574   1.772  -8.023
  410   3HG1  VAL  54          3HG1      VAL  54 -15.379   3.332  -8.200
  411   1HG2  VAL  54          2HG2      VAL  54 -16.079   0.915  -5.861
  412   2HG2  VAL  54          1HG2      VAL  54 -16.839   2.324  -5.120
  413   3HG2  VAL  54          3HG2      VAL  54 -16.931   2.089  -6.866
  414    H    ILE  55           H        ILE  55 -11.926   0.986  -6.558
  415    HA   ILE  55           HA       ILE  55  -9.804   2.732  -5.900
  416    HB   ILE  55           HB       ILE  55 -10.247   0.942  -8.294
  417   1HG1  ILE  55          2HG1      ILE  55  -8.757   0.771  -5.671
  418   2HG1  ILE  55          1HG1      ILE  55  -9.975  -0.332  -6.309
  419   1HG2  ILE  55          2HG2      ILE  55  -7.780   2.522  -7.497
  420   2HG2  ILE  55          1HG2      ILE  55  -7.800   1.244  -8.712
  421   3HG2  ILE  55          3HG2      ILE  55  -8.721   2.726  -8.975
  422   1HD1  ILE  55          3HD1      ILE  55  -8.188  -0.578  -8.274
  423   2HD1  ILE  55          2HD1      ILE  55  -7.077  -0.106  -6.989
  424   3HD1  ILE  55          1HD1      ILE  55  -8.077  -1.547  -6.804
  425    H    ALA  56           H        ALA  56  -8.673   4.246  -7.443
  426    HA   ALA  56           HA       ALA  56 -10.709   5.895  -8.871
  427   1HB   ALA  56          3HB       ALA  56  -9.391   6.978  -7.035
  428   2HB   ALA  56          2HB       ALA  56  -7.923   6.680  -7.966
  429   3HB   ALA  56          1HB       ALA  56  -9.166   7.758  -8.601
  430    H    GLU  57           H        GLU  57  -7.204   5.217  -9.232
  431    HA   GLU  57           HA       GLU  57  -7.414   4.080 -11.836
  432   1HB   GLU  57          2HB       GLU  57  -6.351   6.186 -12.995
  433   2HB   GLU  57          1HB       GLU  57  -8.103   6.093 -12.805
  434   1HG   GLU  57          2HG       GLU  57  -8.127   7.627 -11.042
  435   2HG   GLU  57          1HG       GLU  57  -6.434   7.341 -10.639
  436    H    ILE  58           H        ILE  58  -5.375   3.366 -12.530
  437    HA   ILE  58           HA       ILE  58  -3.138   3.987 -10.654
  438    HB   ILE  58           HB       ILE  58  -3.442   1.666 -12.584
  439   1HG1  ILE  58          2HG1      ILE  58  -5.101   1.417 -10.867
  440   2HG1  ILE  58          1HG1      ILE  58  -3.748   0.382 -10.400
  441   1HG2  ILE  58          1HG2      ILE  58  -1.108   2.550 -11.763
  442   2HG2  ILE  58          3HG2      ILE  58  -1.568   1.793 -10.238
  443   3HG2  ILE  58          2HG2      ILE  58  -1.449   0.820 -11.705
  444   1HD1  ILE  58          1HD1      ILE  58  -2.892   2.302  -8.991
  445   2HD1  ILE  58          3HD1      ILE  58  -4.410   3.135  -9.323
  446   3HD1  ILE  58          2HD1      ILE  58  -4.416   1.611  -8.436
  447    H    VAL  59           H        VAL  59  -1.528   5.260 -11.427
  448    HA   VAL  59           HA       VAL  59  -1.441   5.856 -14.319
  449    HB   VAL  59           HB       VAL  59   0.103   7.000 -11.971
  450   1HG1  VAL  59          3HG1      VAL  59   0.009   7.854 -14.882
  451   2HG1  VAL  59          2HG1      VAL  59   0.823   8.731 -13.586
  452   3HG1  VAL  59          1HG1      VAL  59   1.396   7.134 -14.064
  453   1HG2  VAL  59          1HG2      VAL  59  -2.475   7.598 -13.279
  454   2HG2  VAL  59          3HG2      VAL  59  -1.901   8.041 -11.671
  455   3HG2  VAL  59          2HG2      VAL  59  -1.426   9.000 -13.072
  456    H    LYS  60           H        LYS  60   0.211   3.908 -11.994
  457    HA   LYS  60           HA       LYS  60   2.402   3.432 -13.977
  458   1HB   LYS  60          2HB       LYS  60   2.511   4.020 -11.186
  459   2HB   LYS  60          1HB       LYS  60   3.047   2.353 -11.404
  460   1HG   LYS  60          2HG       LYS  60   4.962   3.855 -11.619
  461   2HG   LYS  60          1HG       LYS  60   4.611   3.123 -13.185
  462   1HD   LYS  60          2HD       LYS  60   3.894   5.098 -14.105
  463   2HD   LYS  60          1HD       LYS  60   3.227   5.686 -12.580
  464   1HE   LYS  60          2HE       LYS  60   5.190   6.662 -11.949
  465   2HE   LYS  60          1HE       LYS  60   6.169   5.363 -12.630
  466   1HZ   LYS  60          2HZ       LYS  60   4.709   7.190 -14.415
  467   2HZ   LYS  60          1HZ       LYS  60   6.188   7.679 -13.735
  468   3HZ   LYS  60          3HZ       LYS  60   6.123   6.297 -14.715
  469    H    ASN  61           H        ASN  61   2.486   1.407 -14.841
  470    HA   ASN  61           HA       ASN  61   0.526  -0.588 -13.910
  471   1HB   ASN  61          2HB       ASN  61   2.322  -0.306 -16.302
  472   2HB   ASN  61          1HB       ASN  61   1.658  -1.890 -15.897
  473   1HD2  ASN  61          2HD2      ASN  61  -0.836   1.050 -17.288
  474   2HD2  ASN  61          1HD2      ASN  61   0.756   1.437 -16.811
  475    H    GLU  62           H        GLU  62   1.193  -2.802 -13.398
  476    HA   GLU  62           HA       GLU  62   3.345  -2.940 -11.538
  477   1HB   GLU  62          2HB       GLU  62   3.031  -5.484 -11.877
  478   2HB   GLU  62          1HB       GLU  62   1.645  -4.568 -11.282
  479   1HG   GLU  62          2HG       GLU  62   0.439  -5.218 -13.063
  480   2HG   GLU  62          1HG       GLU  62   1.621  -4.468 -14.142
  481    H    GLY  63           H        GLY  63   5.408  -3.994 -11.732
  482   1HA   GLY  63          2HA       GLY  63   7.253  -4.928 -12.926
  483   2HA   GLY  63          1HA       GLY  63   6.322  -4.785 -14.422
  484    H    ASP  64           H        ASP  64   5.796  -1.883 -13.205
  485    HA   ASP  64           HA       ASP  64   8.014  -0.684 -14.735
  486   1HB   ASP  64          2HB       ASP  64   6.102   0.460 -15.304
  487   2HB   ASP  64          1HB       ASP  64   5.355   0.230 -13.723
  488    H    THR  65           H        THR  65   8.987   1.366 -13.709
  489    HA   THR  65           HA       THR  65  10.006   0.598 -11.037
  490    HB   THR  65           HB       THR  65  10.847   2.825 -12.918
  491    HG1  THR  65           HG1      THR  65  11.987   1.333 -13.818
  492   1HG2  THR  65          3HG2      THR  65  11.433   2.307 -10.146
  493   2HG2  THR  65          2HG2      THR  65  12.896   2.103 -11.108
  494   3HG2  THR  65          1HG2      THR  65  12.007   3.625 -11.168
  495    H    VAL  66           H        VAL  66   9.822   1.965  -9.209
  496    HA   VAL  66           HA       VAL  66   7.827   4.179  -9.503
  497    HB   VAL  66           HB       VAL  66   7.213   3.651  -7.110
  498   1HG1  VAL  66          3HG1      VAL  66   6.848   1.625  -9.321
  499   2HG1  VAL  66          2HG1      VAL  66   6.051   1.444  -7.759
  500   3HG1  VAL  66          1HG1      VAL  66   5.710   2.851  -8.766
  501   1HG2  VAL  66          3HG2      VAL  66   9.430   2.395  -6.753
  502   2HG2  VAL  66          2HG2      VAL  66   7.981   1.637  -6.094
  503   3HG2  VAL  66          1HG2      VAL  66   8.674   1.049  -7.605
  504    H    LEU  67           H        LEU  67   8.035   5.628  -7.358
  505    HA   LEU  67           HA       LEU  67  10.945   6.067  -6.831
  506   1HB   LEU  67          2HB       LEU  67   9.532   7.701  -8.466
  507   2HB   LEU  67          1HB       LEU  67   9.179   8.454  -6.911
  508    HG   LEU  67           HG       LEU  67  11.994   7.726  -7.160
  509   1HD1  LEU  67          1HD1      LEU  67  11.476   8.205  -9.560
  510   2HD1  LEU  67          3HD1      LEU  67  10.895   9.799  -9.081
  511   3HD1  LEU  67          2HD1      LEU  67  12.592   9.374  -8.854
  512   1HD2  LEU  67          3HD2      LEU  67  10.413  10.245  -6.588
  513   2HD2  LEU  67          2HD2      LEU  67  11.262   9.220  -5.431
  514   3HD2  LEU  67          1HD2      LEU  67  12.176  10.201  -6.576
  515    H    SER  68           H        SER  68  11.303   7.349  -4.808
  516    HA   SER  68           HA       SER  68   9.763   6.294  -2.630
  517   1HB   SER  68          2HB       SER  68  11.863   6.869  -1.885
  518   2HB   SER  68          1HB       SER  68  11.971   8.269  -2.948
  519    HG   SER  68           HG       SER  68  11.250   9.440  -1.369
  520    H    GLY  69           H        GLY  69   7.577   6.859  -2.773
  521   1HA   GLY  69          2HA       GLY  69   5.910   8.388  -1.885
  522   2HA   GLY  69          1HA       GLY  69   6.989   9.732  -2.263
  523    H    GLU  70           H        GLU  70   6.449   7.155  -4.568
  524    HA   GLU  70           HA       GLU  70   5.402   9.116  -6.489
  525   1HB   GLU  70          2HB       GLU  70   7.032   7.404  -7.214
  526   2HB   GLU  70          1HB       GLU  70   5.888   6.134  -6.776
  527   1HG   GLU  70          2HG       GLU  70   5.002   6.303  -8.838
  528   2HG   GLU  70          1HG       GLU  70   4.448   7.923  -8.411
  529    H    LEU  71           H        LEU  71   3.266   9.355  -7.006
  530    HA   LEU  71           HA       LEU  71   1.277   7.878  -5.457
  531   1HB   LEU  71          2HB       LEU  71   0.972  10.275  -5.985
  532   2HB   LEU  71          1HB       LEU  71   0.923   9.887  -7.705
  533    HG   LEU  71           HG       LEU  71  -0.937   8.355  -5.970
  534   1HD1  LEU  71          3HD1      LEU  71  -0.976  10.769  -5.131
  535   2HD1  LEU  71          2HD1      LEU  71  -1.570  11.214  -6.731
  536   3HD1  LEU  71          1HD1      LEU  71  -2.516  10.132  -5.709
  537   1HD2  LEU  71          2HD2      LEU  71  -0.664   9.291  -8.746
  538   2HD2  LEU  71          1HD2      LEU  71  -1.495   7.867  -8.118
  539   3HD2  LEU  71          3HD2      LEU  71  -2.304   9.434  -8.113
  540    H    LEU  72           H        LEU  72   0.664   5.865  -6.080
  541    HA   LEU  72           HA       LEU  72   0.917   5.076  -8.919
  542   1HB   LEU  72          2HB       LEU  72  -0.166   3.282  -6.765
  543   2HB   LEU  72          1HB       LEU  72   0.802   2.863  -8.179
  544    HG   LEU  72           HG       LEU  72   1.775   4.371  -5.735
  545   1HD1  LEU  72          2HD1      LEU  72   1.672   1.553  -6.480
  546   2HD1  LEU  72          1HD1      LEU  72   3.324   2.091  -6.177
  547   3HD1  LEU  72          3HD1      LEU  72   2.092   2.284  -4.931
  548   1HD2  LEU  72          1HD2      LEU  72   2.732   4.327  -8.437
  549   2HD2  LEU  72          3HD2      LEU  72   3.454   5.119  -7.037
  550   3HD2  LEU  72          2HD2      LEU  72   3.881   3.452  -7.426
  551    H    GLY  73           H        GLY  73  -1.511   6.036  -6.637
  552   1HA   GLY  73          2HA       GLY  73  -3.537   6.459  -8.528
  553   2HA   GLY  73          1HA       GLY  73  -3.776   4.809  -7.936
  554    H    LYS  74           H        LYS  74  -5.825   6.374  -7.343
  555    HA   LYS  74           HA       LYS  74  -5.386   7.135  -4.482
  556   1HB   LYS  74          2HB       LYS  74  -7.189   8.449  -6.536
  557   2HB   LYS  74          1HB       LYS  74  -7.209   8.825  -4.813
  558   1HG   LYS  74          2HG       LYS  74  -4.570   9.090  -5.270
  559   2HG   LYS  74          1HG       LYS  74  -5.172   9.499  -6.877
  560   1HD   LYS  74          2HD       LYS  74  -6.824  11.063  -5.651
  561   2HD   LYS  74          1HD       LYS  74  -5.770  10.860  -4.251
  562   1HE   LYS  74          2HE       LYS  74  -4.085  11.379  -6.477
  563   2HE   LYS  74          1HE       LYS  74  -5.394  12.560  -6.539
  564   1HZ   LYS  74          3HZ       LYS  74  -4.877  12.682  -3.982
  565   2HZ   LYS  74          2HZ       LYS  74  -3.345  12.154  -4.492
  566   3HZ   LYS  74          1HZ       LYS  74  -3.996  13.600  -5.104
  567    H    LEU  75           H        LEU  75  -6.866   6.289  -3.034
  568    HA   LEU  75           HA       LEU  75  -8.800   4.331  -4.143
  569   1HB   LEU  75          2HB       LEU  75  -7.179   3.750  -2.264
  570   2HB   LEU  75          1HB       LEU  75  -8.128   4.819  -1.231
  571    HG   LEU  75           HG       LEU  75 -10.050   3.239  -2.476
  572   1HD1  LEU  75          2HD1      LEU  75  -7.729   1.885  -2.938
  573   2HD1  LEU  75          1HD1      LEU  75  -8.193   1.215  -1.374
  574   3HD1  LEU  75          3HD1      LEU  75  -9.297   1.102  -2.745
  575   1HD2  LEU  75          2HD2      LEU  75  -8.715   3.283   0.215
  576   2HD2  LEU  75          1HD2      LEU  75 -10.363   3.736  -0.217
  577   3HD2  LEU  75          3HD2      LEU  75  -9.910   2.034  -0.133
  578    H    THR  76           H        THR  76 -11.030   4.485  -3.751
  579    HA   THR  76           HA       THR  76 -11.935   7.141  -2.726
  580    HB   THR  76           HB       THR  76 -13.552   5.197  -4.387
  581    HG1  THR  76           HG1      THR  76 -11.687   7.174  -5.121
  582   1HG2  THR  76          2HG2      THR  76 -13.793   8.072  -3.542
  583   2HG2  THR  76          1HG2      THR  76 -14.588   7.509  -5.013
  584   3HG2  THR  76          3HG2      THR  76 -14.999   6.788  -3.456
  585    H    GLU  77           H        GLU  77 -14.228   6.978  -1.703
  586    HA   GLU  77           HA       GLU  77 -14.065   4.965   0.433
  587   1HB   GLU  77          2HB       GLU  77 -16.305   6.952   0.044
  588   2HB   GLU  77          1HB       GLU  77 -15.717   6.241   1.548
  589   1HG   GLU  77          2HG       GLU  77 -13.505   7.540   0.324
  590   2HG   GLU  77          1HG       GLU  77 -14.861   8.666   0.271
  591    H    GLY  78           H        GLY  78 -16.693   4.395   0.992
  592   1HA   GLY  78          2HA       GLY  78 -18.090   3.480  -1.407
  593   2HA   GLY  78          1HA       GLY  78 -17.353   2.172  -0.480
  594    H    GLY  79           HN       GLY  79 -19.564   4.949  -0.126
  595   1HA   GLY  79          2HA       GLY  79 -21.422   5.231   1.279
  596   2HA   GLY  79          1HA       GLY  79 -21.576   3.474   1.226
   
  No H/Q in entry =         596
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1  -9.793   8.163   2.941
    2   2H    ALA   1          3H        ALA   1 -10.817   9.270   2.165
    3   3H    ALA   1          2H        ALA   1 -11.050   7.602   1.944
    4    HA   ALA   1           HA       ALA   1  -9.867   7.828   0.086
    5   1HB   ALA   1          1HB       ALA   1  -8.855  10.405   1.325
    6   2HB   ALA   1          3HB       ALA   1  -8.427   9.854  -0.296
    7   3HB   ALA   1          2HB       ALA   1 -10.104  10.243   0.089
    8    H    ILE   2           H        ILE   2  -8.161   6.486  -0.258
    9    HA   ILE   2           HA       ILE   2  -5.903   6.580   1.705
   10    HB   ILE   2           HB       ILE   2  -7.164   4.183   0.341
   11   1HG1  ILE   2          2HG1      ILE   2  -6.771   4.017   3.201
   12   2HG1  ILE   2          1HG1      ILE   2  -7.665   5.485   2.802
   13   1HG2  ILE   2          3HG2      ILE   2  -4.458   4.566   1.006
   14   2HG2  ILE   2          2HG2      ILE   2  -5.124   3.593   2.317
   15   3HG2  ILE   2          1HG2      ILE   2  -5.251   3.032   0.651
   16   1HD1  ILE   2          2HD1      ILE   2  -8.842   3.611   1.153
   17   2HD1  ILE   2          1HD1      ILE   2  -8.506   2.678   2.612
   18   3HD1  ILE   2          3HD1      ILE   2  -9.487   4.141   2.707
   19    H    ASP   3           H        ASP   3  -4.384   7.699   0.506
   20    HA   ASP   3           HA       ASP   3  -4.060   7.329  -2.351
   21   1HB   ASP   3          2HB       ASP   3  -3.423   9.417  -1.094
   22   2HB   ASP   3          1HB       ASP   3  -2.077   8.515  -0.387
   23    H    ILE   4           H        ILE   4  -2.916   5.744  -3.359
   24    HA   ILE   4           HA       ILE   4  -1.327   3.889  -1.673
   25    HB   ILE   4           HB       ILE   4  -2.383   3.718  -4.506
   26   1HG1  ILE   4          2HG1      ILE   4  -2.910   2.060  -2.018
   27   2HG1  ILE   4          1HG1      ILE   4  -3.977   3.326  -2.628
   28   1HG2  ILE   4          1HG2      ILE   4  -0.105   2.400  -3.321
   29   2HG2  ILE   4          3HG2      ILE   4  -1.370   1.217  -3.656
   30   3HG2  ILE   4          2HG2      ILE   4  -0.748   2.236  -4.955
   31   1HD1  ILE   4          3HD1      ILE   4  -3.121   1.017  -4.373
   32   2HD1  ILE   4          2HD1      ILE   4  -4.523   0.898  -3.310
   33   3HD1  ILE   4          1HD1      ILE   4  -4.489   2.108  -4.592
   34    H    LYS   5           H        LYS   5   0.446   5.479  -1.437
   35    HA   LYS   5           HA       LYS   5   2.006   5.953  -3.927
   36   1HB   LYS   5          2HB       LYS   5   3.320   7.524  -2.530
   37   2HB   LYS   5          1HB       LYS   5   1.600   7.915  -2.501
   38   1HG   LYS   5          2HG       LYS   5   1.353   7.288  -0.305
   39   2HG   LYS   5          1HG       LYS   5   2.579   6.025  -0.419
   40   1HD   LYS   5          2HD       LYS   5   4.268   7.977  -0.673
   41   2HD   LYS   5          1HD       LYS   5   2.970   8.991  -0.042
   42   1HE   LYS   5          2HE       LYS   5   3.356   8.274   2.056
   43   2HE   LYS   5          1HE       LYS   5   3.211   6.591   1.550
   44   1HZ   LYS   5          1HZ       LYS   5   5.585   7.127   0.563
   45   2HZ   LYS   5          3HZ       LYS   5   5.595   8.250   1.834
   46   3HZ   LYS   5          2HZ       LYS   5   5.374   6.597   2.163
   47    H    ALA   6           H        ALA   6   4.149   5.193  -4.119
   48    HA   ALA   6           HA       ALA   6   4.794   2.691  -3.019
   49   1HB   ALA   6          1HB       ALA   6   6.278   4.824  -4.437
   50   2HB   ALA   6          3HB       ALA   6   7.274   3.727  -3.481
   51   3HB   ALA   6          2HB       ALA   6   6.228   3.089  -4.750
   52    HA   PRO   7           HA       PRO   7   6.284   3.501   1.026
   53   1HB   PRO   7          2HB       PRO   7   8.244   1.583   1.231
   54   2HB   PRO   7          1HB       PRO   7   6.509   1.221   1.280
   55   1HG   PRO   7          2HG       PRO   7   8.460   0.762  -0.928
   56   2HG   PRO   7          1HG       PRO   7   6.955  -0.098  -0.564
   57   1HD   PRO   7          2HD       PRO   7   7.298   1.865  -2.576
   58   2HD   PRO   7          1HD       PRO   7   5.744   1.240  -1.978
   59    H    THR   8           H        THR   8   8.236   4.204   2.265
   60    HA   THR   8           HA       THR   8   9.993   5.860   0.596
   61    HB   THR   8           HB       THR   8   9.186   6.844   2.651
   62    HG1  THR   8           HG1      THR   8  11.130   7.638   2.590
   63   1HG2  THR   8          2HG2      THR   8   9.831   4.180   3.695
   64   2HG2  THR   8          1HG2      THR   8  10.361   5.490   4.750
   65   3HG2  THR   8          3HG2      THR   8   8.665   5.365   4.283
   66    H    PHE   9           H        PHE   9  11.604   4.717  -0.413
   67    HA   PHE   9           HA       PHE   9  12.838   2.371   0.757
   68   1HB   PHE   9          2HB       PHE   9  14.052   4.038  -1.449
   69   2HB   PHE   9          1HB       PHE   9  14.167   2.292  -1.199
   70    HD1  PHE   9           HD1      PHE   9  12.058   0.882  -1.445
   71    HD2  PHE   9           HD2      PHE   9  12.293   4.975  -2.732
   72    HE1  PHE   9           HE1      PHE   9  10.063   0.545  -2.879
   73    HE2  PHE   9           HE2      PHE   9  10.296   4.638  -4.166
   74    HZ   PHE   9           HZ       PHE   9   9.181   2.423  -4.240
   75    HA   PRO  10           HA       PRO  10  15.916   4.364   3.178
   76   1HB   PRO  10          2HB       PRO  10  17.717   2.290   3.305
   77   2HB   PRO  10          1HB       PRO  10  16.204   2.331   4.226
   78   1HG   PRO  10          2HG       PRO  10  16.886   0.726   1.806
   79   2HG   PRO  10          1HG       PRO  10  15.716   0.378   3.090
   80   1HD   PRO  10          2HD       PRO  10  15.103   1.379   0.512
   81   2HD   PRO  10          1HD       PRO  10  14.001   1.338   1.909
   82    H    GLU  11           H        GLU  11  18.454   4.643   3.120
   83    HA   GLU  11           HA       GLU  11  19.194   5.929   0.711
   84   1HB   GLU  11          2HB       GLU  11  20.408   5.361   3.250
   85   2HB   GLU  11          1HB       GLU  11  21.569   5.003   1.971
   86   1HG   GLU  11          2HG       GLU  11  21.427   7.206   1.081
   87   2HG   GLU  11          1HG       GLU  11  19.975   7.569   2.013
   88    H    SER  12           H        SER  12  20.187   2.704   1.909
   89    HA   SER  12           HA       SER  12  21.825   1.843  -0.127
   90   1HB   SER  12          2HB       SER  12  20.950   0.522   1.903
   91   2HB   SER  12          1HB       SER  12  19.582   0.085   0.877
   92    HG   SER  12           HG       SER  12  22.215  -0.208  -0.069
   93    H    ILE  13           H        ILE  13  18.254   1.812  -0.205
   94    HA   ILE  13           HA       ILE  13  18.336   1.073  -3.071
   95    HB   ILE  13           HB       ILE  13  15.969   1.555  -1.234
   96   1HG1  ILE  13          2HG1      ILE  13  17.026  -1.095  -2.234
   97   2HG1  ILE  13          1HG1      ILE  13  17.567  -0.394  -0.708
   98   1HG2  ILE  13          3HG2      ILE  13  16.262   1.030  -4.107
   99   2HG2  ILE  13          2HG2      ILE  13  15.198  -0.119  -3.296
  100   3HG2  ILE  13          1HG2      ILE  13  14.859   1.609  -3.209
  101   1HD1  ILE  13          3HD1      ILE  13  14.628  -0.479  -1.158
  102   2HD1  ILE  13          2HD1      ILE  13  15.426  -2.027  -0.877
  103   3HD1  ILE  13          1HD1      ILE  13  15.548  -0.740   0.324
  104    H    ALA  14           H        ALA  14  17.426   2.437  -4.701
  105    HA   ALA  14           HA       ALA  14  17.002   5.275  -3.857
  106   1HB   ALA  14          3HB       ALA  14  18.644   4.161  -6.130
  107   2HB   ALA  14          2HB       ALA  14  18.014   5.808  -6.182
  108   3HB   ALA  14          1HB       ALA  14  19.124   5.329  -4.898
  109    H    ASP  15           H        ASP  15  15.268   2.825  -4.707
  110    HA   ASP  15           HA       ASP  15  13.171   4.288  -5.941
  111   1HB   ASP  15          2HB       ASP  15  13.353   2.946  -8.201
  112   2HB   ASP  15          1HB       ASP  15  14.265   4.443  -7.998
  113    H    GLY  16           H        GLY  16  11.801   2.360  -7.327
  114   1HA   GLY  16          2HA       GLY  16  11.930  -0.147  -5.758
  115   2HA   GLY  16          1HA       GLY  16  10.444   0.796  -5.630
  116    H    THR  17           H        THR  17   9.796  -1.486  -6.605
  117    HA   THR  17           HA       THR  17   9.368  -1.006  -9.489
  118    HB   THR  17           HB       THR  17  10.658  -3.534  -8.416
  119    HG1  THR  17           HG1      THR  17  12.421  -2.661  -9.108
  120   1HG2  THR  17          2HG2      THR  17   9.052  -2.995 -10.792
  121   2HG2  THR  17          1HG2      THR  17  10.661  -3.594 -11.197
  122   3HG2  THR  17          3HG2      THR  17   9.608  -4.537 -10.142
  123    H    VAL  18           H        VAL  18   7.187  -1.180  -9.650
  124    HA   VAL  18           HA       VAL  18   5.430  -2.284  -7.779
  125    HB   VAL  18           HB       VAL  18   5.013  -2.320 -10.782
  126   1HG1  VAL  18          2HG1      VAL  18   3.220  -2.459  -8.366
  127   2HG1  VAL  18          1HG1      VAL  18   2.614  -1.808  -9.889
  128   3HG1  VAL  18          3HG1      VAL  18   3.207  -3.467  -9.814
  129   1HG2  VAL  18          3HG2      VAL  18   5.207  -0.120  -8.816
  130   2HG2  VAL  18          2HG2      VAL  18   5.389  -0.080 -10.570
  131   3HG2  VAL  18          1HG2      VAL  18   3.779  -0.063  -9.849
  132    H    ALA  19           H        ALA  19   4.025  -4.306  -8.161
  133    HA   ALA  19           HA       ALA  19   5.811  -6.558  -8.992
  134   1HB   ALA  19          2HB       ALA  19   5.274  -6.519  -6.569
  135   2HB   ALA  19          1HB       ALA  19   3.556  -6.575  -6.962
  136   3HB   ALA  19          3HB       ALA  19   4.598  -7.940  -7.363
  137    H    THR  20           H        THR  20   2.299  -6.324  -8.377
  138    HA   THR  20           HA       THR  20   1.675  -6.723 -11.207
  139    HB   THR  20           HB       THR  20   1.276  -8.951  -9.192
  140    HG1  THR  20           HG1      THR  20   2.430  -9.005 -11.772
  141   1HG2  THR  20          3HG2      THR  20   0.115  -8.584 -11.966
  142   2HG2  THR  20          2HG2      THR  20   0.090 -10.105 -11.073
  143   3HG2  THR  20          1HG2      THR  20  -0.783  -8.703 -10.452
  144    H    TRP  21           H        TRP  21  -0.346  -5.886 -11.599
  145    HA   TRP  21           HA       TRP  21  -1.897  -4.940  -9.284
  146   1HB   TRP  21          2HB       TRP  21  -1.772  -4.365 -12.209
  147   2HB   TRP  21          1HB       TRP  21  -3.305  -4.082 -11.388
  148    HD1  TRP  21           HD1      TRP  21   0.181  -2.723 -11.754
  149    HE1  TRP  21           HE1      TRP  21   0.411  -0.557 -10.364
  150    HE3  TRP  21           HE3      TRP  21  -4.193  -2.876  -9.118
  151    HZ2  TRP  21           HZ2      TRP  21  -1.036   0.899  -8.424
  152    HZ3  TRP  21           HZ3      TRP  21  -4.743  -1.076  -7.498
  153    HH2  TRP  21           HH2      TRP  21  -3.170   0.812  -7.147
  154    H    HIS  22           H        HIS  22  -2.856  -6.861  -8.489
  155    HA   HIS  22           HA       HIS  22  -4.090  -8.895 -10.036
  156   1HB   HIS  22          2HB       HIS  22  -5.432  -8.095  -7.482
  157   2HB   HIS  22          1HB       HIS  22  -4.989  -9.704  -8.063
  158    HD1  HIS  22           HD1      HIS  22  -3.534  -6.643  -6.430
  159    HD2  HIS  22           HD2      HIS  22  -2.376 -10.537  -7.358
  160    HE1  HIS  22           HE1      HIS  22  -1.279  -6.985  -5.369
  161    H    LYS  23           H        LYS  23  -6.005  -6.475  -8.228
  162    HA   LYS  23           HA       LYS  23  -8.165  -6.744 -10.200
  163   1HB   LYS  23          2HB       LYS  23  -7.879  -5.758  -7.474
  164   2HB   LYS  23          1HB       LYS  23  -8.801  -4.636  -8.476
  165   1HG   LYS  23          2HG       LYS  23 -10.401  -6.172  -7.589
  166   2HG   LYS  23          1HG       LYS  23 -10.145  -6.661  -9.265
  167   1HD   LYS  23          2HD       LYS  23  -8.692  -8.455  -8.611
  168   2HD   LYS  23          1HD       LYS  23  -8.620  -7.870  -6.947
  169   1HE   LYS  23          2HE       LYS  23 -10.318  -9.305  -6.527
  170   2HE   LYS  23          1HE       LYS  23 -11.341  -8.160  -7.393
  171   1HZ   LYS  23          1HZ       LYS  23  -9.876  -9.870  -9.156
  172   2HZ   LYS  23          3HZ       LYS  23 -10.875 -10.749  -8.105
  173   3HZ   LYS  23          2HZ       LYS  23 -11.543  -9.545  -9.101
  174    H    LYS  24           H        LYS  24  -9.220  -4.286 -10.509
  175    HA   LYS  24           HA       LYS  24  -7.025  -2.532 -11.508
  176   1HB   LYS  24          2HB       LYS  24  -9.001  -3.985 -13.091
  177   2HB   LYS  24          1HB       LYS  24  -9.071  -2.246 -13.378
  178   1HG   LYS  24          2HG       LYS  24  -6.448  -2.455 -13.496
  179   2HG   LYS  24          1HG       LYS  24  -6.796  -4.151 -13.838
  180   1HD   LYS  24          2HD       LYS  24  -8.515  -3.148 -15.564
  181   2HD   LYS  24          1HD       LYS  24  -7.493  -1.714 -15.448
  182   1HE   LYS  24          2HE       LYS  24  -6.823  -3.306 -17.286
  183   2HE   LYS  24          1HE       LYS  24  -5.540  -2.968 -16.124
  184   1HZ   LYS  24          3HZ       LYS  24  -7.278  -5.211 -15.499
  185   2HZ   LYS  24          2HZ       LYS  24  -6.252  -5.420 -16.837
  186   3HZ   LYS  24          1HZ       LYS  24  -5.600  -5.052 -15.312
  187    HA   PRO  25           HA       PRO  25  -9.472   0.747  -9.926
  188   1HB   PRO  25          2HB       PRO  25  -8.994   2.725 -11.775
  189   2HB   PRO  25          1HB       PRO  25  -7.799   2.195 -10.578
  190   1HG   PRO  25          2HG       PRO  25  -7.908   1.619 -13.505
  191   2HG   PRO  25          1HG       PRO  25  -6.504   1.697 -12.427
  192   1HD   PRO  25          2HD       PRO  25  -7.738  -0.671 -13.347
  193   2HD   PRO  25          1HD       PRO  25  -6.588  -0.556 -11.997
  194    H    GLY  26           H        GLY  26 -11.609   1.442 -10.054
  195   1HA   GLY  26          2HA       GLY  26 -13.508   2.297 -11.363
  196   2HA   GLY  26          1HA       GLY  26 -12.950   1.311 -12.720
  197    H    GLU  27           H        GLU  27 -12.428  -0.735 -10.319
  198    HA   GLU  27           HA       GLU  27 -15.137  -1.947 -10.578
  199   1HB   GLU  27          2HB       GLU  27 -12.729  -3.359  -9.451
  200   2HB   GLU  27          1HB       GLU  27 -14.129  -4.045 -10.276
  201   1HG   GLU  27          2HG       GLU  27 -11.892  -2.420 -11.514
  202   2HG   GLU  27          1HG       GLU  27 -12.274  -4.114 -11.820
  203    H    ALA  28           H        ALA  28 -15.368  -3.528  -8.430
  204    HA   ALA  28           HA       ALA  28 -15.323  -1.591  -6.160
  205   1HB   ALA  28          1HB       ALA  28 -17.245  -3.560  -7.122
  206   2HB   ALA  28          3HB       ALA  28 -16.875  -3.793  -5.414
  207   3HB   ALA  28          2HB       ALA  28 -17.480  -2.236  -5.980
  208    H    VAL  29           H        VAL  29 -14.491  -2.258  -4.130
  209    HA   VAL  29           HA       VAL  29 -13.029  -4.866  -4.136
  210    HB   VAL  29           HB       VAL  29 -11.163  -3.776  -2.960
  211   1HG1  VAL  29          1HG1      VAL  29 -11.992  -2.404  -5.536
  212   2HG1  VAL  29          3HG1      VAL  29 -10.370  -2.337  -4.847
  213   3HG1  VAL  29          2HG1      VAL  29 -11.034  -3.878  -5.392
  214   1HG2  VAL  29          2HG2      VAL  29 -12.765  -1.962  -2.018
  215   2HG2  VAL  29          1HG2      VAL  29 -11.129  -1.465  -2.455
  216   3HG2  VAL  29          3HG2      VAL  29 -12.475  -1.119  -3.540
  217    H    LYS  30           H        LYS  30 -12.082  -4.863  -1.568
  218    HA   LYS  30           HA       LYS  30 -14.204  -4.059   0.291
  219   1HB   LYS  30          2HB       LYS  30 -15.168  -6.126  -0.561
  220   2HB   LYS  30          1HB       LYS  30 -13.648  -6.981  -0.297
  221   1HG   LYS  30          2HG       LYS  30 -15.072  -7.512   1.566
  222   2HG   LYS  30          1HG       LYS  30 -13.859  -6.378   2.160
  223   1HD   LYS  30          2HD       LYS  30 -15.508  -4.516   1.721
  224   2HD   LYS  30          1HD       LYS  30 -16.719  -5.752   1.381
  225   1HE   LYS  30          2HE       LYS  30 -15.238  -6.169   3.895
  226   2HE   LYS  30          1HE       LYS  30 -16.231  -4.713   3.871
  227   1HZ   LYS  30          1HZ       LYS  30 -17.696  -6.789   2.708
  228   2HZ   LYS  30          3HZ       LYS  30 -17.056  -7.373   4.166
  229   3HZ   LYS  30          2HZ       LYS  30 -18.011  -5.968   4.162
  230    H    ARG  31           H        ARG  31 -13.381  -3.870   2.369
  231    HA   ARG  31           HA       ARG  31 -10.695  -3.593   2.894
  232   1HB   ARG  31          2HB       ARG  31 -12.878  -3.333   4.424
  233   2HB   ARG  31          1HB       ARG  31 -12.293  -4.868   5.067
  234   1HG   ARG  31          2HG       ARG  31  -9.971  -3.431   4.957
  235   2HG   ARG  31          1HG       ARG  31 -11.139  -2.161   5.322
  236   1HD   ARG  31          2HD       ARG  31 -10.680  -2.888   7.468
  237   2HD   ARG  31          1HD       ARG  31 -12.021  -3.963   7.071
  238    HE   ARG  31           HE       ARG  31  -9.641  -5.246   6.229
  239   1HH1  ARG  31          2HH1      ARG  31  -9.284  -3.715   9.021
  240   2HH1  ARG  31          1HH1      ARG  31  -9.399  -5.083  10.075
  241   1HH2  ARG  31          1HH2      ARG  31 -10.611  -7.210   7.618
  242   2HH2  ARG  31          2HH2      ARG  31 -10.150  -7.063   9.281
  243    H    ASP  32           H        ASP  32  -9.083  -4.975   3.906
  244    HA   ASP  32           HA       ASP  32  -7.880  -6.981   4.091
  245   1HB   ASP  32          2HB       ASP  32 -10.136  -7.426   5.445
  246   2HB   ASP  32          1HB       ASP  32 -10.413  -8.570   4.130
  247    H    GLU  33           H        GLU  33  -8.665  -5.982   1.449
  248    HA   GLU  33           HA       GLU  33  -8.646  -8.587  -0.021
  249   1HB   GLU  33          2HB       GLU  33 -10.812  -7.349  -0.276
  250   2HB   GLU  33          1HB       GLU  33  -9.913  -6.003  -0.977
  251   1HG   GLU  33          2HG       GLU  33  -8.985  -7.682  -2.666
  252   2HG   GLU  33          1HG       GLU  33 -10.210  -8.805  -2.076
  253    H    LEU  34           H        LEU  34  -6.636  -8.806  -0.874
  254    HA   LEU  34           HA       LEU  34  -4.611  -6.956  -1.091
  255   1HB   LEU  34          2HB       LEU  34  -4.368  -9.364  -1.647
  256   2HB   LEU  34          1HB       LEU  34  -5.228  -9.084  -3.162
  257    HG   LEU  34           HG       LEU  34  -3.487  -7.458  -3.839
  258   1HD1  LEU  34          1HD1      LEU  34  -2.731  -7.813  -1.042
  259   2HD1  LEU  34          3HD1      LEU  34  -1.359  -8.033  -2.129
  260   3HD1  LEU  34          2HD1      LEU  34  -2.283  -6.531  -2.168
  261   1HD2  LEU  34          2HD2      LEU  34  -2.759 -10.285  -3.111
  262   2HD2  LEU  34          1HD2      LEU  34  -3.021  -9.581  -4.708
  263   3HD2  LEU  34          3HD2      LEU  34  -1.539  -9.226  -3.820
  264    H    ILE  35           H        ILE  35  -3.779  -5.720  -2.976
  265    HA   ILE  35           HA       ILE  35  -5.845  -4.971  -4.975
  266    HB   ILE  35           HB       ILE  35  -4.287  -2.814  -3.562
  267   1HG1  ILE  35          2HG1      ILE  35  -6.935  -4.034  -2.722
  268   2HG1  ILE  35          1HG1      ILE  35  -5.448  -3.986  -1.774
  269   1HG2  ILE  35          2HG2      ILE  35  -6.341  -3.016  -5.609
  270   2HG2  ILE  35          1HG2      ILE  35  -6.873  -1.993  -4.275
  271   3HG2  ILE  35          3HG2      ILE  35  -5.378  -1.618  -5.133
  272   1HD1  ILE  35          3HD1      ILE  35  -6.157  -1.326  -2.671
  273   2HD1  ILE  35          2HD1      ILE  35  -7.502  -2.059  -1.796
  274   3HD1  ILE  35          1HD1      ILE  35  -5.922  -1.916  -1.025
  275    H    VAL  36           H        VAL  36  -2.484  -4.537  -3.859
  276    HA   VAL  36           HA       VAL  36  -1.503  -5.076  -6.559
  277    HB   VAL  36           HB       VAL  36  -2.098  -2.664  -6.701
  278   1HG1  VAL  36          1HG1      VAL  36  -0.186  -2.500  -4.357
  279   2HG1  VAL  36          3HG1      VAL  36  -0.642  -1.098  -5.326
  280   3HG1  VAL  36          2HG1      VAL  36  -1.869  -1.974  -4.411
  281   1HG2  VAL  36          1HG2      VAL  36  -0.029  -3.748  -7.811
  282   2HG2  VAL  36          3HG2      VAL  36  -0.057  -1.988  -7.703
  283   3HG2  VAL  36          2HG2      VAL  36   0.909  -2.925  -6.564
  284    H    ASP  37           H        ASP  37   0.584  -5.873  -6.453
  285    HA   ASP  37           HA       ASP  37   1.784  -6.017  -3.739
  286   1HB   ASP  37          2HB       ASP  37   1.959  -7.661  -6.230
  287   2HB   ASP  37          1HB       ASP  37   3.358  -7.644  -5.155
  288    H    ILE  38           H        ILE  38   3.980  -5.401  -3.392
  289    HA   ILE  38           HA       ILE  38   5.141  -3.704  -5.568
  290    HB   ILE  38           HB       ILE  38   5.306  -3.252  -2.571
  291   1HG1  ILE  38          2HG1      ILE  38   3.981  -1.408  -4.540
  292   2HG1  ILE  38          1HG1      ILE  38   3.092  -2.806  -3.932
  293   1HG2  ILE  38          3HG2      ILE  38   6.582  -1.985  -4.965
  294   2HG2  ILE  38          2HG2      ILE  38   6.135  -0.950  -3.609
  295   3HG2  ILE  38          1HG2      ILE  38   7.259  -2.287  -3.365
  296   1HD1  ILE  38          1HD1      ILE  38   3.708  -2.039  -1.590
  297   2HD1  ILE  38          3HD1      ILE  38   4.291  -0.543  -2.320
  298   3HD1  ILE  38          2HD1      ILE  38   2.590  -0.984  -2.454
  299    H    GLU  39           H        GLU  39   7.503  -3.637  -5.596
  300    HA   GLU  39           HA       GLU  39   8.815  -5.833  -4.062
  301   1HB   GLU  39          2HB       GLU  39   8.209  -6.515  -6.450
  302   2HB   GLU  39          1HB       GLU  39   9.379  -5.309  -6.987
  303   1HG   GLU  39          2HG       GLU  39  10.522  -6.952  -4.897
  304   2HG   GLU  39          1HG       GLU  39   9.920  -7.963  -6.212
  305    H    THR  40           H        THR  40  11.105  -5.490  -3.744
  306    HA   THR  40           HA       THR  40  12.138  -2.822  -4.561
  307    HB   THR  40           HB       THR  40  13.040  -3.318  -1.905
  308    HG1  THR  40           HG1      THR  40  10.237  -3.161  -1.983
  309   1HG2  THR  40          2HG2      THR  40  11.381  -1.290  -3.352
  310   2HG2  THR  40          1HG2      THR  40  11.447  -1.224  -1.590
  311   3HG2  THR  40          3HG2      THR  40  12.931  -1.091  -2.534
  312    H    ASP  41           H        ASP  41  14.585  -2.772  -3.617
  313    HA   ASP  41           HA       ASP  41  16.153  -4.486  -5.090
  314   1HB   ASP  41          2HB       ASP  41  16.832  -2.498  -3.544
  315   2HB   ASP  41          1HB       ASP  41  17.037  -3.742  -2.310
  316    H    LYS  42           H        LYS  42  15.839  -5.003  -1.563
  317    HA   LYS  42           HA       LYS  42  15.660  -7.933  -2.131
  318   1HB   LYS  42          2HB       LYS  42  17.257  -6.623   0.092
  319   2HB   LYS  42          1HB       LYS  42  17.112  -8.356  -0.196
  320   1HG   LYS  42          2HG       LYS  42  17.897  -7.344  -2.667
  321   2HG   LYS  42          1HG       LYS  42  18.839  -6.404  -1.510
  322   1HD   LYS  42          2HD       LYS  42  19.260  -8.749  -0.387
  323   2HD   LYS  42          1HD       LYS  42  18.840  -9.368  -1.984
  324   1HE   LYS  42          2HE       LYS  42  20.547  -7.434  -2.732
  325   2HE   LYS  42          1HE       LYS  42  21.207  -7.774  -1.132
  326   1HZ   LYS  42          3HZ       LYS  42  21.283 -10.133  -1.741
  327   2HZ   LYS  42          2HZ       LYS  42  20.738  -9.746  -3.303
  328   3HZ   LYS  42          1HZ       LYS  42  22.246  -9.182  -2.762
  329    H    VAL  43           H        VAL  43  13.514  -6.043  -1.573
  330    HA   VAL  43           HA       VAL  43  12.452  -7.357   0.866
  331    HB   VAL  43           HB       VAL  43  12.192  -4.372   0.450
  332   1HG1  VAL  43          1HG1      VAL  43  11.561  -6.316   2.675
  333   2HG1  VAL  43          3HG1      VAL  43  11.698  -4.582   2.965
  334   3HG1  VAL  43          2HG1      VAL  43  10.467  -5.196   1.862
  335   1HG2  VAL  43          1HG2      VAL  43  14.339  -5.997   1.754
  336   2HG2  VAL  43          3HG2      VAL  43  14.458  -4.449   0.913
  337   3HG2  VAL  43          2HG2      VAL  43  13.827  -4.513   2.560
  338    H    VAL  44           H        VAL  44  10.119  -7.393   0.906
  339    HA   VAL  44           HA       VAL  44   8.825  -6.506  -1.637
  340    HB   VAL  44           HB       VAL  44   8.310  -9.126  -0.195
  341   1HG1  VAL  44          3HG1      VAL  44   6.975  -7.634  -2.377
  342   2HG1  VAL  44          2HG1      VAL  44   7.243  -9.348  -2.692
  343   3HG1  VAL  44          1HG1      VAL  44   6.319  -8.846  -1.276
  344   1HG2  VAL  44          2HG2      VAL  44   9.996  -8.364  -2.566
  345   2HG2  VAL  44          1HG2      VAL  44  10.361  -9.489  -1.258
  346   3HG2  VAL  44          3HG2      VAL  44   9.224  -9.948  -2.526
  347    H    MET  45           H        MET  45   6.548  -6.011  -1.412
  348    HA   MET  45           HA       MET  45   5.499  -5.915   1.366
  349   1HB   MET  45          2HB       MET  45   6.061  -3.560  -0.413
  350   2HB   MET  45          1HB       MET  45   4.694  -3.498   0.702
  351   1HG   MET  45          2HG       MET  45   7.540  -4.161   1.512
  352   2HG   MET  45          1HG       MET  45   6.790  -2.575   1.698
  353   1HE   MET  45          3HE       MET  45   6.993  -2.119   3.706
  354   2HE   MET  45          2HE       MET  45   6.011  -2.654   5.068
  355   3HE   MET  45          1HE       MET  45   7.557  -3.435   4.745
  356    H    GLU  46           H        GLU  46   3.118  -5.257   1.315
  357    HA   GLU  46           HA       GLU  46   1.853  -6.069  -1.269
  358   1HB   GLU  46          2HB       GLU  46   0.719  -6.804   1.432
  359   2HB   GLU  46          1HB       GLU  46   0.306  -7.475  -0.146
  360   1HG   GLU  46          2HG       GLU  46   1.905  -9.041   0.059
  361   2HG   GLU  46          1HG       GLU  46   3.130  -7.798   0.317
  362    H    VAL  47           H        VAL  47  -0.310  -5.172  -1.580
  363    HA   VAL  47           HA       VAL  47  -0.874  -2.816   0.174
  364    HB   VAL  47           HB       VAL  47  -1.301  -2.921  -2.825
  365   1HG1  VAL  47          1HG1      VAL  47  -1.355  -0.650  -0.813
  366   2HG1  VAL  47          3HG1      VAL  47  -1.597  -0.484  -2.552
  367   3HG1  VAL  47          2HG1      VAL  47  -2.768  -1.376  -1.580
  368   1HG2  VAL  47          2HG2      VAL  47   0.936  -1.669  -1.200
  369   2HG2  VAL  47          1HG2      VAL  47   1.098  -2.995  -2.352
  370   3HG2  VAL  47          3HG2      VAL  47   0.665  -1.381  -2.918
  371    H    LEU  48           H        LEU  48  -2.615  -3.692   1.297
  372    HA   LEU  48           HA       LEU  48  -4.794  -4.932  -0.292
  373   1HB   LEU  48          2HB       LEU  48  -5.546  -5.216   2.314
  374   2HB   LEU  48          1HB       LEU  48  -4.614  -6.412   1.426
  375    HG   LEU  48           HG       LEU  48  -3.309  -4.160   2.962
  376   1HD1  LEU  48          1HD1      LEU  48  -4.123  -6.924   3.890
  377   2HD1  LEU  48          3HD1      LEU  48  -2.895  -5.959   4.709
  378   3HD1  LEU  48          2HD1      LEU  48  -4.556  -5.376   4.615
  379   1HD2  LEU  48          3HD2      LEU  48  -2.400  -6.196   1.188
  380   2HD2  LEU  48          2HD2      LEU  48  -1.423  -5.055   2.112
  381   3HD2  LEU  48          1HD2      LEU  48  -1.840  -6.623   2.804
  382    H    ALA  49           H        ALA  49  -7.050  -4.311   0.420
  383    HA   ALA  49           HA       ALA  49  -7.231  -1.383   0.550
  384   1HB   ALA  49          2HB       ALA  49  -8.788  -3.367  -0.600
  385   2HB   ALA  49          1HB       ALA  49  -9.742  -2.876   0.801
  386   3HB   ALA  49          3HB       ALA  49  -9.263  -1.680  -0.404
  387    H    GLU  50           H        GLU  50  -7.602  -0.240   2.398
  388    HA   GLU  50           HA       GLU  50  -7.989  -1.750   4.912
  389   1HB   GLU  50          2HB       GLU  50  -6.597   0.603   4.206
  390   2HB   GLU  50          1HB       GLU  50  -7.925   1.122   5.246
  391   1HG   GLU  50          2HG       GLU  50  -6.489  -1.314   6.133
  392   2HG   GLU  50          1HG       GLU  50  -5.559   0.184   6.199
  393    H    ALA  51           H        ALA  51 -10.067  -0.874   2.660
  394    HA   ALA  51           HA       ALA  51 -12.382  -0.928   4.243
  395   1HB   ALA  51          2HB       ALA  51 -11.041   1.591   4.434
  396   2HB   ALA  51          1HB       ALA  51 -12.536   1.836   3.531
  397   3HB   ALA  51          3HB       ALA  51 -12.587   1.124   5.143
  398    H    ASP  52           H        ASP  52 -14.054  -1.299   2.843
  399    HA   ASP  52           HA       ASP  52 -13.737  -1.554   0.090
  400   1HB   ASP  52          2HB       ASP  52 -15.699  -2.528   0.790
  401   2HB   ASP  52          1HB       ASP  52 -16.098  -1.211   1.887
  402    H    GLY  53           H        GLY  53 -14.963  -0.199  -1.601
  403   1HA   GLY  53          2HA       GLY  53 -15.720   2.407  -1.554
  404   2HA   GLY  53          1HA       GLY  53 -13.969   2.567  -1.379
  405    H    VAL  54           H        VAL  54 -14.091   3.683  -3.504
  406    HA   VAL  54           HA       VAL  54 -14.177   1.699  -5.741
  407    HB   VAL  54           HB       VAL  54 -15.116   4.577  -5.678
  408   1HG1  VAL  54          3HG1      VAL  54 -14.526   2.761  -8.030
  409   2HG1  VAL  54          2HG1      VAL  54 -15.555   4.189  -8.150
  410   3HG1  VAL  54          1HG1      VAL  54 -13.854   4.361  -7.714
  411   1HG2  VAL  54          1HG2      VAL  54 -16.512   2.355  -5.109
  412   2HG2  VAL  54          3HG2      VAL  54 -17.233   3.710  -5.977
  413   3HG2  VAL  54          2HG2      VAL  54 -16.646   2.305  -6.866
  414    H    ILE  55           H        ILE  55 -12.227   1.492  -6.716
  415    HA   ILE  55           HA       ILE  55  -9.945   3.036  -5.983
  416    HB   ILE  55           HB       ILE  55 -10.489   1.246  -8.357
  417   1HG1  ILE  55          2HG1      ILE  55  -9.134   0.974  -5.671
  418   2HG1  ILE  55          1HG1      ILE  55 -10.410  -0.027  -6.360
  419   1HG2  ILE  55          2HG2      ILE  55  -7.905   2.580  -7.487
  420   2HG2  ILE  55          1HG2      ILE  55  -8.018   1.307  -8.702
  421   3HG2  ILE  55          3HG2      ILE  55  -8.773   2.874  -8.993
  422   1HD1  ILE  55          3HD1      ILE  55  -8.648  -0.568  -8.209
  423   2HD1  ILE  55          2HD1      ILE  55  -7.478   0.011  -7.022
  424   3HD1  ILE  55          1HD1      ILE  55  -8.510  -1.368  -6.643
  425    H    ALA  56           H        ALA  56  -8.659   4.417  -7.519
  426    HA   ALA  56           HA       ALA  56 -10.510   6.207  -9.023
  427   1HB   ALA  56          3HB       ALA  56  -9.104   7.206  -7.208
  428   2HB   ALA  56          2HB       ALA  56  -7.665   6.733  -8.112
  429   3HB   ALA  56          1HB       ALA  56  -8.785   7.913  -8.793
  430    H    GLU  57           H        GLU  57  -7.074   5.235  -9.348
  431    HA   GLU  57           HA       GLU  57  -7.275   3.935 -11.832
  432   1HB   GLU  57          2HB       GLU  57  -7.938   6.611 -12.161
  433   2HB   GLU  57          1HB       GLU  57  -6.238   6.555 -12.629
  434   1HG   GLU  57          2HG       GLU  57  -6.907   5.746 -14.623
  435   2HG   GLU  57          1HG       GLU  57  -7.372   4.266 -13.784
  436    H    ILE  58           H        ILE  58  -5.237   3.186 -12.438
  437    HA   ILE  58           HA       ILE  58  -3.018   3.933 -10.636
  438    HB   ILE  58           HB       ILE  58  -2.927   1.877 -12.850
  439   1HG1  ILE  58          2HG1      ILE  58  -4.886   1.285 -11.592
  440   2HG1  ILE  58          1HG1      ILE  58  -3.582   0.251 -10.997
  441   1HG2  ILE  58          3HG2      ILE  58  -0.831   2.590 -11.638
  442   2HG2  ILE  58          2HG2      ILE  58  -1.560   1.992 -10.147
  443   3HG2  ILE  58          1HG2      ILE  58  -1.213   0.875 -11.467
  444   1HD1  ILE  58          1HD1      ILE  58  -3.191   1.992  -9.184
  445   2HD1  ILE  58          3HD1      ILE  58  -4.700   2.746  -9.698
  446   3HD1  ILE  58          2HD1      ILE  58  -4.709   1.103  -9.058
  447    H    VAL  59           H        VAL  59  -1.152   4.977 -11.328
  448    HA   VAL  59           HA       VAL  59  -1.317   6.295 -13.967
  449    HB   VAL  59           HB       VAL  59   0.639   6.617 -11.670
  450   1HG1  VAL  59          2HG1      VAL  59   0.538   7.702 -14.435
  451   2HG1  VAL  59          1HG1      VAL  59   0.886   8.866 -13.156
  452   3HG1  VAL  59          3HG1      VAL  59   1.923   7.457 -13.372
  453   1HG2  VAL  59          2HG2      VAL  59  -1.911   7.949 -12.496
  454   2HG2  VAL  59          1HG2      VAL  59  -1.302   7.601 -10.877
  455   3HG2  VAL  59          3HG2      VAL  59  -0.642   8.954 -11.796
  456    H    LYS  60           H        LYS  60   1.109   4.384 -12.147
  457    HA   LYS  60           HA       LYS  60   2.509   3.829 -14.702
  458   1HB   LYS  60          2HB       LYS  60   3.288   4.039 -11.931
  459   2HB   LYS  60          1HB       LYS  60   3.762   2.462 -12.565
  460   1HG   LYS  60          2HG       LYS  60   4.328   5.059 -14.014
  461   2HG   LYS  60          1HG       LYS  60   5.472   4.310 -12.901
  462   1HD   LYS  60          2HD       LYS  60   6.201   3.282 -14.814
  463   2HD   LYS  60          1HD       LYS  60   4.886   2.168 -14.437
  464   1HE   LYS  60          2HE       LYS  60   3.737   2.781 -16.278
  465   2HE   LYS  60          1HE       LYS  60   3.908   4.491 -15.883
  466   1HZ   LYS  60          1HZ       LYS  60   6.370   3.345 -16.749
  467   2HZ   LYS  60          3HZ       LYS  60   5.158   3.163 -17.920
  468   3HZ   LYS  60          2HZ       LYS  60   5.549   4.711 -17.338
  469    H    ASN  61           H        ASN  61   3.225   1.487 -15.018
  470    HA   ASN  61           HA       ASN  61   0.916  -0.294 -14.393
  471   1HB   ASN  61          2HB       ASN  61   2.981  -0.282 -16.596
  472   2HB   ASN  61          1HB       ASN  61   2.005  -1.712 -16.258
  473   1HD2  ASN  61          2HD2      ASN  61   0.322   1.476 -18.144
  474   2HD2  ASN  61          1HD2      ASN  61   1.947   1.517 -17.625
  475    H    GLU  62           H        GLU  62   1.394  -2.515 -13.751
  476    HA   GLU  62           HA       GLU  62   3.455  -2.703 -11.766
  477   1HB   GLU  62          2HB       GLU  62   2.859  -5.147 -11.752
  478   2HB   GLU  62          1HB       GLU  62   1.465  -4.078 -11.578
  479   1HG   GLU  62          2HG       GLU  62   0.600  -5.341 -13.268
  480   2HG   GLU  62          1HG       GLU  62   1.592  -4.297 -14.291
  481    H    GLY  63           H        GLY  63   5.352  -4.098 -11.810
  482   1HA   GLY  63          2HA       GLY  63   7.126  -5.271 -12.875
  483   2HA   GLY  63          1HA       GLY  63   6.256  -5.135 -14.407
  484    H    ASP  64           H        ASP  64   6.240  -2.120 -13.015
  485    HA   ASP  64           HA       ASP  64   8.590  -1.310 -14.661
  486   1HB   ASP  64          2HB       ASP  64   6.869  -0.044 -15.507
  487   2HB   ASP  64          1HB       ASP  64   5.972  -0.033 -13.989
  488    H    THR  65           H        THR  65   9.695   0.725 -13.742
  489    HA   THR  65           HA       THR  65  10.289   0.185 -10.876
  490    HB   THR  65           HB       THR  65  11.794   1.846 -12.921
  491    HG1  THR  65           HG1      THR  65  12.149  -0.759 -11.872
  492   1HG2  THR  65          1HG2      THR  65  11.889   2.012 -10.157
  493   2HG2  THR  65          3HG2      THR  65  13.208   0.904 -10.538
  494   3HG2  THR  65          2HG2      THR  65  13.172   2.514 -11.259
  495    H    VAL  66           H        VAL  66   9.431   1.531  -9.373
  496    HA   VAL  66           HA       VAL  66   8.429   4.189 -10.284
  497    HB   VAL  66           HB       VAL  66   6.948   4.141  -8.388
  498   1HG1  VAL  66          3HG1      VAL  66   7.167   1.464  -9.784
  499   2HG1  VAL  66          2HG1      VAL  66   5.823   1.881  -8.722
  500   3HG1  VAL  66          1HG1      VAL  66   6.104   2.808 -10.195
  501   1HG2  VAL  66          2HG2      VAL  66   8.663   1.803  -7.520
  502   2HG2  VAL  66          1HG2      VAL  66   8.364   3.309  -6.650
  503   3HG2  VAL  66          3HG2      VAL  66   7.074   2.117  -6.821
  504    H    LEU  67           H        LEU  67   8.399   5.642  -8.008
  505    HA   LEU  67           HA       LEU  67  11.184   5.537  -6.936
  506   1HB   LEU  67          2HB       LEU  67   9.752   8.057  -7.833
  507   2HB   LEU  67          1HB       LEU  67  11.390   7.955  -7.187
  508    HG   LEU  67           HG       LEU  67  11.107   6.105  -9.378
  509   1HD1  LEU  67          1HD1      LEU  67   9.797   8.720  -9.695
  510   2HD1  LEU  67          3HD1      LEU  67  11.012   8.382 -10.928
  511   3HD1  LEU  67          2HD1      LEU  67   9.665   7.269 -10.689
  512   1HD2  LEU  67          1HD2      LEU  67  12.997   7.845  -8.257
  513   2HD2  LEU  67          3HD2      LEU  67  13.235   6.810  -9.665
  514   3HD2  LEU  67          2HD2      LEU  67  12.716   8.481  -9.878
  515    H    SER  68           H        SER  68  11.290   7.250  -5.026
  516    HA   SER  68           HA       SER  68   9.424   6.391  -3.032
  517   1HB   SER  68          2HB       SER  68  11.524   7.139  -2.230
  518   2HB   SER  68          1HB       SER  68  11.443   8.632  -3.162
  519    HG   SER  68           HG       SER  68  10.452   8.048  -0.694
  520    H    GLY  69           H        GLY  69   7.593   7.424  -2.185
  521   1HA   GLY  69          2HA       GLY  69   5.700   8.808  -2.217
  522   2HA   GLY  69          1HA       GLY  69   6.781  10.090  -2.764
  523    H    GLU  70           H        GLU  70   6.502   7.140  -4.605
  524    HA   GLU  70           HA       GLU  70   5.539   8.679  -6.911
  525   1HB   GLU  70          2HB       GLU  70   7.267   6.890  -7.141
  526   2HB   GLU  70          1HB       GLU  70   6.057   5.701  -6.657
  527   1HG   GLU  70          2HG       GLU  70   6.106   5.696  -9.059
  528   2HG   GLU  70          1HG       GLU  70   4.626   6.528  -8.582
  529    H    LEU  71           H        LEU  71   3.382   9.123  -6.970
  530    HA   LEU  71           HA       LEU  71   1.396   7.535  -5.606
  531   1HB   LEU  71          2HB       LEU  71   1.105   9.954  -6.124
  532   2HB   LEU  71          1HB       LEU  71   1.013   9.553  -7.840
  533    HG   LEU  71           HG       LEU  71  -0.799   8.047  -6.021
  534   1HD1  LEU  71          3HD1      LEU  71  -0.670  10.878  -5.891
  535   2HD1  LEU  71          2HD1      LEU  71  -2.099  10.481  -6.843
  536   3HD1  LEU  71          1HD1      LEU  71  -1.914   9.827  -5.216
  537   1HD2  LEU  71          2HD2      LEU  71  -0.876   9.234  -8.799
  538   2HD2  LEU  71          1HD2      LEU  71  -0.980   7.537  -8.331
  539   3HD2  LEU  71          3HD2      LEU  71  -2.335   8.621  -8.021
  540    H    LEU  72           H        LEU  72   0.980   5.476  -6.277
  541    HA   LEU  72           HA       LEU  72   1.109   4.841  -9.169
  542   1HB   LEU  72          2HB       LEU  72   0.548   2.959  -6.863
  543   2HB   LEU  72          1HB       LEU  72   1.055   2.528  -8.497
  544    HG   LEU  72           HG       LEU  72   2.688   4.084  -6.470
  545   1HD1  LEU  72          1HD1      LEU  72   2.725   1.255  -7.501
  546   2HD1  LEU  72          3HD1      LEU  72   4.209   2.010  -6.921
  547   3HD1  LEU  72          2HD1      LEU  72   2.830   1.828  -5.837
  548   1HD2  LEU  72          3HD2      LEU  72   3.073   3.441  -9.388
  549   2HD2  LEU  72          2HD2      LEU  72   3.341   4.969  -8.548
  550   3HD2  LEU  72          1HD2      LEU  72   4.471   3.634  -8.331
  551    H    GLY  73           H        GLY  73  -1.186   5.729  -6.829
  552   1HA   GLY  73          2HA       GLY  73  -3.385   5.725  -8.584
  553   2HA   GLY  73          1HA       GLY  73  -3.444   4.186  -7.717
  554    H    LYS  74           H        LYS  74  -5.557   5.664  -7.178
  555    HA   LYS  74           HA       LYS  74  -5.070   6.584  -4.407
  556   1HB   LYS  74          2HB       LYS  74  -6.472   8.287  -6.491
  557   2HB   LYS  74          1HB       LYS  74  -6.357   8.664  -4.771
  558   1HG   LYS  74          2HG       LYS  74  -3.756   8.315  -5.239
  559   2HG   LYS  74          1HG       LYS  74  -4.240   8.752  -6.879
  560   1HD   LYS  74          2HD       LYS  74  -3.663  10.801  -5.767
  561   2HD   LYS  74          1HD       LYS  74  -5.423  10.764  -5.873
  562   1HE   LYS  74          2HE       LYS  74  -5.427   9.742  -3.545
  563   2HE   LYS  74          1HE       LYS  74  -3.708  10.128  -3.462
  564   1HZ   LYS  74          3HZ       LYS  74  -5.124  12.377  -4.382
  565   2HZ   LYS  74          2HZ       LYS  74  -5.861  11.814  -2.959
  566   3HZ   LYS  74          1HZ       LYS  74  -4.209  12.210  -2.964
  567    H    LEU  75           H        LEU  75  -6.666   5.795  -3.111
  568    HA   LEU  75           HA       LEU  75  -9.043   4.596  -4.424
  569   1HB   LEU  75          2HB       LEU  75  -7.628   3.302  -2.756
  570   2HB   LEU  75          1HB       LEU  75  -8.232   4.399  -1.513
  571    HG   LEU  75           HG       LEU  75 -10.417   3.406  -3.134
  572   1HD1  LEU  75          2HD1      LEU  75  -8.798   1.483  -3.395
  573   2HD1  LEU  75          1HD1      LEU  75  -8.831   1.299  -1.641
  574   3HD1  LEU  75          3HD1      LEU  75 -10.304   1.057  -2.581
  575   1HD2  LEU  75          1HD2      LEU  75 -10.000   4.278  -0.571
  576   2HD2  LEU  75          3HD2      LEU  75 -11.444   3.415  -1.098
  577   3HD2  LEU  75          2HD2      LEU  75 -10.125   2.536  -0.324
  578    H    THR  76           H        THR  76 -11.172   5.181  -3.802
  579    HA   THR  76           HA       THR  76 -11.381   7.909  -2.675
  580    HB   THR  76           HB       THR  76 -13.661   6.208  -3.691
  581    HG1  THR  76           HG1      THR  76 -11.690   7.653  -5.089
  582   1HG2  THR  76          3HG2      THR  76 -13.136   9.124  -3.202
  583   2HG2  THR  76          2HG2      THR  76 -14.326   8.640  -4.410
  584   3HG2  THR  76          1HG2      THR  76 -14.527   8.150  -2.727
  585    H    GLU  77           H        GLU  77 -13.307   8.248  -1.127
  586    HA   GLU  77           HA       GLU  77 -12.894   6.770   1.256
  587   1HB   GLU  77          2HB       GLU  77 -15.037   8.634   0.287
  588   2HB   GLU  77          1HB       GLU  77 -15.291   7.744   1.788
  589   1HG   GLU  77          2HG       GLU  77 -13.647   8.884   2.906
  590   2HG   GLU  77          1HG       GLU  77 -12.643   9.055   1.466
  591    H    GLY  78           H        GLY  78 -15.890   6.701  -0.713
  592   1HA   GLY  78          2HA       GLY  78 -16.707   4.494  -1.544
  593   2HA   GLY  78          1HA       GLY  78 -16.094   3.791  -0.047
  594    H    GLY  79           HN       GLY  79 -18.452   6.200  -1.225
  595   1HA   GLY  79          2HA       GLY  79 -20.821   5.671  -0.405
  596   2HA   GLY  79          1HA       GLY  79 -20.095   5.597   1.201
   
  No H/Q in entry =         596
  Start of MODEL    9
    1   1H    ALA   1          3H        ALA   1 -10.501   6.719   2.793
    2   2H    ALA   1          2H        ALA   1 -11.874   6.966   1.823
    3   3H    ALA   1          1H        ALA   1 -10.550   6.090   1.219
    4    HA   ALA   1           HA       ALA   1 -10.306   8.158   0.224
    5   1HB   ALA   1          2HB       ALA   1 -12.050   9.085   1.981
    6   2HB   ALA   1          1HB       ALA   1 -10.598   9.613   2.830
    7   3HB   ALA   1          3HB       ALA   1 -10.918  10.184   1.192
    8    H    ILE   2           H        ILE   2  -8.187   7.109   0.200
    9    HA   ILE   2           HA       ILE   2  -6.273   8.497   2.009
   10    HB   ILE   2           HB       ILE   2  -5.001   6.365   2.265
   11   1HG1  ILE   2          2HG1      ILE   2  -7.489   5.103   1.071
   12   2HG1  ILE   2          1HG1      ILE   2  -5.961   5.291   0.209
   13   1HG2  ILE   2          1HG2      ILE   2  -7.054   7.248   3.752
   14   2HG2  ILE   2          3HG2      ILE   2  -7.746   5.712   3.231
   15   3HG2  ILE   2          2HG2      ILE   2  -6.219   5.736   4.115
   16   1HD1  ILE   2          1HD1      ILE   2  -5.488   4.104   2.798
   17   2HD1  ILE   2          3HD1      ILE   2  -6.700   3.171   1.921
   18   3HD1  ILE   2          2HD1      ILE   2  -5.116   3.458   1.200
   19    H    ASP   3           H        ASP   3  -3.920   7.879   1.120
   20    HA   ASP   3           HA       ASP   3  -4.064   8.178  -1.854
   21   1HB   ASP   3          2HB       ASP   3  -3.165  10.188  -0.887
   22   2HB   ASP   3          1HB       ASP   3  -2.083   9.265   0.165
   23    H    ILE   4           H        ILE   4  -2.970   6.682  -3.069
   24    HA   ILE   4           HA       ILE   4  -1.395   4.633  -1.576
   25    HB   ILE   4           HB       ILE   4  -2.346   4.327  -4.416
   26   1HG1  ILE   4          2HG1      ILE   4  -3.947   3.922  -1.872
   27   2HG1  ILE   4          1HG1      ILE   4  -4.344   4.993  -3.215
   28   1HG2  ILE   4          2HG2      ILE   4  -0.756   2.698  -3.319
   29   2HG2  ILE   4          1HG2      ILE   4  -2.032   2.329  -2.159
   30   3HG2  ILE   4          3HG2      ILE   4  -2.266   1.975  -3.870
   31   1HD1  ILE   4          3HD1      ILE   4  -4.442   2.963  -4.706
   32   2HD1  ILE   4          2HD1      ILE   4  -4.261   1.965  -3.263
   33   3HD1  ILE   4          1HD1      ILE   4  -5.681   2.994  -3.452
   34    H    LYS   5           H        LYS   5   0.677   5.529  -1.568
   35    HA   LYS   5           HA       LYS   5   1.880   5.990  -4.266
   36   1HB   LYS   5          2HB       LYS   5   3.360   7.688  -3.159
   37   2HB   LYS   5          1HB       LYS   5   1.657   8.149  -3.168
   38   1HG   LYS   5          2HG       LYS   5   1.439   7.224  -0.857
   39   2HG   LYS   5          1HG       LYS   5   3.175   6.910  -0.854
   40   1HD   LYS   5          2HD       LYS   5   2.367   9.657  -1.626
   41   2HD   LYS   5          1HD       LYS   5   2.083   9.220   0.059
   42   1HE   LYS   5          2HE       LYS   5   4.677   8.266  -0.772
   43   2HE   LYS   5          1HE       LYS   5   4.536   9.990  -1.115
   44   1HZ   LYS   5          1HZ       LYS   5   3.430   9.322   1.425
   45   2HZ   LYS   5          3HZ       LYS   5   5.057   8.852   1.320
   46   3HZ   LYS   5          2HZ       LYS   5   4.621  10.469   1.034
   47    H    ALA   6           H        ALA   6   4.349   5.746  -4.147
   48    HA   ALA   6           HA       ALA   6   4.959   3.177  -2.954
   49   1HB   ALA   6          2HB       ALA   6   6.070   4.815  -4.963
   50   2HB   ALA   6          1HB       ALA   6   7.319   4.666  -3.727
   51   3HB   ALA   6          3HB       ALA   6   6.631   3.219  -4.465
   52    HA   PRO   7           HA       PRO   7   6.517   4.544   0.918
   53   1HB   PRO   7          2HB       PRO   7   8.219   2.450   1.445
   54   2HB   PRO   7          1HB       PRO   7   6.455   2.333   1.568
   55   1HG   PRO   7          2HG       PRO   7   8.265   1.245  -0.537
   56   2HG   PRO   7          1HG       PRO   7   6.673   0.666  -0.018
   57   1HD   PRO   7          2HD       PRO   7   7.208   2.189  -2.346
   58   2HD   PRO   7          1HD       PRO   7   5.604   1.887  -1.639
   59    H    THR   8           H        THR   8   8.248   5.789   1.663
   60    HA   THR   8           HA       THR   8  10.277   6.629  -0.163
   61    HB   THR   8           HB       THR   8   9.529   8.014   1.741
   62    HG1  THR   8           HG1      THR   8  11.477   8.670   1.161
   63   1HG2  THR   8          1HG2      THR   8   9.837   5.651   3.186
   64   2HG2  THR   8          3HG2      THR   8  11.149   6.680   3.763
   65   3HG2  THR   8          2HG2      THR   8   9.480   7.241   3.859
   66    H    PHE   9           H        PHE   9  12.226   5.722  -0.646
   67    HA   PHE   9           HA       PHE   9  13.039   3.309   0.883
   68   1HB   PHE   9          2HB       PHE   9  14.283   4.368  -1.664
   69   2HB   PHE   9          1HB       PHE   9  14.381   2.731  -1.008
   70    HD1  PHE   9           HD1      PHE   9  12.412   1.231  -1.062
   71    HD2  PHE   9           HD2      PHE   9  12.329   5.128  -2.870
   72    HE1  PHE   9           HE1      PHE   9  10.364   0.605  -2.316
   73    HE2  PHE   9           HE2      PHE   9  10.281   4.504  -4.123
   74    HZ   PHE   9           HZ       PHE   9   9.299   2.242  -3.846
   75    HA   PRO  10           HA       PRO  10  16.360   5.447   2.806
   76   1HB   PRO  10          2HB       PRO  10  17.977   3.285   3.329
   77   2HB   PRO  10          1HB       PRO  10  16.501   3.646   4.240
   78   1HG   PRO  10          2HG       PRO  10  16.970   1.535   2.188
   79   2HG   PRO  10          1HG       PRO  10  15.812   1.559   3.528
   80   1HD   PRO  10          2HD       PRO  10  15.213   2.076   0.808
   81   2HD   PRO  10          1HD       PRO  10  14.153   2.415   2.196
   82    H    GLU  11           H        GLU  11  18.846   5.633   2.622
   83    HA   GLU  11           HA       GLU  11  19.681   6.351   0.075
   84   1HB   GLU  11          2HB       GLU  11  21.025   5.675   2.598
   85   2HB   GLU  11          1HB       GLU  11  22.026   5.392   1.174
   86   1HG   GLU  11          2HG       GLU  11  21.440   7.710   0.389
   87   2HG   GLU  11          1HG       GLU  11  20.636   7.974   1.937
   88    H    SER  12           H        SER  12  20.379   3.196   1.630
   89    HA   SER  12           HA       SER  12  21.690   1.885  -0.403
   90   1HB   SER  12          2HB       SER  12  20.335   1.101   1.913
   91   2HB   SER  12          1HB       SER  12  19.563   0.181   0.620
   92    HG   SER  12           HG       SER  12  21.835  -0.249  -0.056
   93    H    ILE  13           H        ILE  13  18.122   1.741  -0.067
   94    HA   ILE  13           HA       ILE  13  17.942   1.061  -2.943
   95    HB   ILE  13           HB       ILE  13  15.723   1.285  -0.888
   96   1HG1  ILE  13          2HG1      ILE  13  17.277  -0.404  -0.127
   97   2HG1  ILE  13          1HG1      ILE  13  15.912  -1.239  -0.871
   98   1HG2  ILE  13          2HG2      ILE  13  15.784   0.855  -3.731
   99   2HG2  ILE  13          1HG2      ILE  13  15.210  -0.613  -2.939
  100   3HG2  ILE  13          3HG2      ILE  13  14.385   0.922  -2.660
  101   1HD1  ILE  13          3HD1      ILE  13  17.278  -1.232  -3.037
  102   2HD1  ILE  13          2HD1      ILE  13  18.655  -0.754  -2.044
  103   3HD1  ILE  13          1HD1      ILE  13  17.855  -2.298  -1.755
  104    H    ALA  14           H        ALA  14  17.704   2.696  -4.383
  105    HA   ALA  14           HA       ALA  14  16.694   5.316  -3.420
  106   1HB   ALA  14          3HB       ALA  14  18.498   4.407  -5.550
  107   2HB   ALA  14          2HB       ALA  14  17.343   5.625  -6.092
  108   3HB   ALA  14          1HB       ALA  14  18.419   5.971  -4.738
  109    H    ASP  15           H        ASP  15  15.170   2.681  -4.273
  110    HA   ASP  15           HA       ASP  15  12.734   3.811  -5.003
  111   1HB   ASP  15          2HB       ASP  15  12.855   3.107  -7.552
  112   2HB   ASP  15          1HB       ASP  15  13.412   4.702  -7.043
  113    H    GLY  16           H        GLY  16  11.532   2.021  -6.644
  114   1HA   GLY  16          2HA       GLY  16  12.442  -0.696  -5.905
  115   2HA   GLY  16          1HA       GLY  16  10.864  -0.196  -5.294
  116    H    THR  17           H        THR  17   9.981  -1.966  -6.629
  117    HA   THR  17           HA       THR  17   9.348  -0.992  -9.347
  118    HB   THR  17           HB       THR  17  10.619  -3.690  -8.802
  119    HG1  THR  17           HG1      THR  17  11.859  -2.599 -10.701
  120   1HG2  THR  17          2HG2      THR  17   8.651  -3.685 -10.418
  121   2HG2  THR  17          1HG2      THR  17   9.616  -2.625 -11.447
  122   3HG2  THR  17          3HG2      THR  17  10.182  -4.255 -11.083
  123    H    VAL  18           H        VAL  18   7.178  -1.206  -9.569
  124    HA   VAL  18           HA       VAL  18   5.433  -2.339  -7.713
  125    HB   VAL  18           HB       VAL  18   4.986  -2.287 -10.714
  126   1HG1  VAL  18          1HG1      VAL  18   3.193  -2.471  -8.294
  127   2HG1  VAL  18          3HG1      VAL  18   2.591  -1.839  -9.826
  128   3HG1  VAL  18          2HG1      VAL  18   3.205  -3.489  -9.733
  129   1HG2  VAL  18          1HG2      VAL  18   5.501  -0.151  -8.890
  130   2HG2  VAL  18          3HG2      VAL  18   5.015  -0.038 -10.582
  131   3HG2  VAL  18          2HG2      VAL  18   3.790  -0.090  -9.313
  132    H    ALA  19           H        ALA  19   4.004  -4.334  -8.096
  133    HA   ALA  19           HA       ALA  19   5.748  -6.593  -8.992
  134   1HB   ALA  19          3HB       ALA  19   5.179  -6.558  -6.557
  135   2HB   ALA  19          2HB       ALA  19   3.471  -6.659  -6.988
  136   3HB   ALA  19          1HB       ALA  19   4.561  -7.989  -7.381
  137    H    THR  20           H        THR  20   2.242  -6.352  -8.366
  138    HA   THR  20           HA       THR  20   1.606  -6.651 -11.205
  139    HB   THR  20           HB       THR  20   1.257  -8.951  -9.267
  140    HG1  THR  20           HG1      THR  20   2.982  -9.487 -10.324
  141   1HG2  THR  20          3HG2      THR  20  -0.855  -8.476 -10.522
  142   2HG2  THR  20          2HG2      THR  20   0.045  -8.653 -12.027
  143   3HG2  THR  20          1HG2      THR  20  -0.135 -10.030 -10.941
  144    H    TRP  21           H        TRP  21  -0.430  -5.826 -11.566
  145    HA   TRP  21           HA       TRP  21  -1.955  -4.925  -9.216
  146   1HB   TRP  21          2HB       TRP  21  -1.867  -4.297 -12.130
  147   2HB   TRP  21          1HB       TRP  21  -3.390  -4.034 -11.286
  148    HD1  TRP  21           HD1      TRP  21   0.091  -2.661 -11.663
  149    HE1  TRP  21           HE1      TRP  21   0.330  -0.518 -10.240
  150    HE3  TRP  21           HE3      TRP  21  -4.259  -2.865  -8.990
  151    HZ2  TRP  21           HZ2      TRP  21  -1.103   0.904  -8.265
  152    HZ3  TRP  21           HZ3      TRP  21  -4.797  -1.094  -7.336
  153    HH2  TRP  21           HH2      TRP  21  -3.224   0.792  -6.969
  154    H    HIS  22           H        HIS  22  -2.711  -7.045  -8.533
  155    HA   HIS  22           HA       HIS  22  -3.989  -9.025  -9.990
  156   1HB   HIS  22          2HB       HIS  22  -5.409  -8.090  -7.516
  157   2HB   HIS  22          1HB       HIS  22  -5.022  -9.735  -8.030
  158    HD1  HIS  22           HD1      HIS  22  -3.451  -6.670  -6.504
  159    HD2  HIS  22           HD2      HIS  22  -2.488 -10.663  -7.196
  160    HE1  HIS  22           HE1      HIS  22  -1.245  -7.076  -5.365
  161    H    LYS  23           H        LYS  23  -5.781  -6.264  -8.563
  162    HA   LYS  23           HA       LYS  23  -7.900  -6.720 -10.601
  163   1HB   LYS  23          2HB       LYS  23  -7.895  -4.960  -8.128
  164   2HB   LYS  23          1HB       LYS  23  -9.277  -5.234  -9.190
  165   1HG   LYS  23          2HG       LYS  23  -8.155  -7.770  -8.411
  166   2HG   LYS  23          1HG       LYS  23  -8.478  -6.803  -6.971
  167   1HD   LYS  23          2HD       LYS  23 -10.735  -6.871  -7.274
  168   2HD   LYS  23          1HD       LYS  23 -10.601  -6.727  -9.027
  169   1HE   LYS  23          2HE       LYS  23  -9.881  -9.101  -9.147
  170   2HE   LYS  23          1HE       LYS  23 -10.092  -9.236  -7.401
  171   1HZ   LYS  23          2HZ       LYS  23 -12.436  -8.158  -8.263
  172   2HZ   LYS  23          1HZ       LYS  23 -12.057  -9.278  -9.483
  173   3HZ   LYS  23          3HZ       LYS  23 -12.179  -9.791  -7.870
  174    H    LYS  24           H        LYS  24  -8.986  -4.269 -10.943
  175    HA   LYS  24           HA       LYS  24  -6.732  -2.525 -11.850
  176   1HB   LYS  24          2HB       LYS  24  -8.815  -3.830 -13.435
  177   2HB   LYS  24          1HB       LYS  24  -8.789  -2.083 -13.669
  178   1HG   LYS  24          2HG       LYS  24  -6.982  -2.301 -14.988
  179   2HG   LYS  24          1HG       LYS  24  -6.085  -2.966 -13.623
  180   1HD   LYS  24          2HD       LYS  24  -6.083  -4.544 -15.516
  181   2HD   LYS  24          1HD       LYS  24  -6.962  -5.216 -14.143
  182   1HE   LYS  24          2HE       LYS  24  -9.025  -4.986 -15.171
  183   2HE   LYS  24          1HE       LYS  24  -8.493  -3.632 -16.168
  184   1HZ   LYS  24          2HZ       LYS  24  -7.103  -5.196 -17.425
  185   2HZ   LYS  24          1HZ       LYS  24  -7.733  -6.482 -16.510
  186   3HZ   LYS  24          3HZ       LYS  24  -8.755  -5.583 -17.522
  187    HA   PRO  25           HA       PRO  25  -8.999   0.815 -10.137
  188   1HB   PRO  25          2HB       PRO  25  -8.552   2.803 -11.984
  189   2HB   PRO  25          1HB       PRO  25  -7.318   2.223 -10.851
  190   1HG   PRO  25          2HG       PRO  25  -7.587   1.683 -13.777
  191   2HG   PRO  25          1HG       PRO  25  -6.130   1.716 -12.770
  192   1HD   PRO  25          2HD       PRO  25  -7.459  -0.612 -13.647
  193   2HD   PRO  25          1HD       PRO  25  -6.254  -0.536 -12.344
  194    H    GLY  26           H        GLY  26 -11.222   0.781 -10.112
  195   1HA   GLY  26          2HA       GLY  26 -13.122   2.018 -11.359
  196   2HA   GLY  26          1HA       GLY  26 -12.663   0.988 -12.721
  197    H    GLU  27           H        GLU  27 -12.047  -1.048 -10.366
  198    HA   GLU  27           HA       GLU  27 -14.764  -2.238 -10.474
  199   1HB   GLU  27          2HB       GLU  27 -13.663  -4.292  -9.692
  200   2HB   GLU  27          1HB       GLU  27 -12.821  -3.647 -11.102
  201   1HG   GLU  27          2HG       GLU  27 -10.945  -3.775  -9.842
  202   2HG   GLU  27          1HG       GLU  27 -11.570  -2.359  -8.994
  203    H    ALA  28           H        ALA  28 -14.952  -3.695  -8.214
  204    HA   ALA  28           HA       ALA  28 -15.031  -1.596  -6.102
  205   1HB   ALA  28          2HB       ALA  28 -16.464  -4.257  -6.359
  206   2HB   ALA  28          1HB       ALA  28 -16.606  -3.186  -4.965
  207   3HB   ALA  28          3HB       ALA  28 -17.174  -2.653  -6.548
  208    H    VAL  29           H        VAL  29 -14.217  -2.076  -3.984
  209    HA   VAL  29           HA       VAL  29 -12.247  -4.328  -3.952
  210    HB   VAL  29           HB       VAL  29 -10.913  -2.981  -2.405
  211   1HG1  VAL  29          3HG1      VAL  29 -11.546  -2.240  -5.116
  212   2HG1  VAL  29          2HG1      VAL  29 -11.162  -0.791  -4.189
  213   3HG1  VAL  29          1HG1      VAL  29 -10.003  -2.116  -4.272
  214   1HG2  VAL  29          1HG2      VAL  29 -13.221  -1.812  -1.658
  215   2HG2  VAL  29          3HG2      VAL  29 -11.655  -1.042  -1.409
  216   3HG2  VAL  29          2HG2      VAL  29 -12.650  -0.588  -2.793
  217    H    LYS  30           H        LYS  30 -11.824  -5.160  -1.673
  218    HA   LYS  30           HA       LYS  30 -14.361  -5.108  -0.084
  219   1HB   LYS  30          2HB       LYS  30 -12.582  -7.372  -0.916
  220   2HB   LYS  30          1HB       LYS  30 -13.412  -7.477   0.637
  221   1HG   LYS  30          2HG       LYS  30 -15.571  -7.044  -0.499
  222   2HG   LYS  30          1HG       LYS  30 -14.732  -6.990  -2.049
  223   1HD   LYS  30          2HD       LYS  30 -13.871  -9.375  -0.856
  224   2HD   LYS  30          1HD       LYS  30 -15.600  -9.302  -0.519
  225   1HE   LYS  30          2HE       LYS  30 -16.172  -9.520  -2.717
  226   2HE   LYS  30          1HE       LYS  30 -14.814  -8.540  -3.270
  227   1HZ   LYS  30          2HZ       LYS  30 -13.688 -10.797  -2.184
  228   2HZ   LYS  30          1HZ       LYS  30 -15.023 -11.367  -3.067
  229   3HZ   LYS  30          3HZ       LYS  30 -13.837 -10.431  -3.837
  230    H    ARG  31           H        ARG  31 -14.126  -4.636   2.071
  231    HA   ARG  31           HA       ARG  31 -11.943  -3.369   3.163
  232   1HB   ARG  31          2HB       ARG  31 -14.146  -3.599   4.294
  233   2HB   ARG  31          1HB       ARG  31 -13.751  -5.276   4.675
  234   1HG   ARG  31          2HG       ARG  31 -11.516  -3.921   5.566
  235   2HG   ARG  31          1HG       ARG  31 -12.824  -2.806   5.960
  236   1HD   ARG  31          2HD       ARG  31 -13.619  -4.153   7.594
  237   2HD   ARG  31          1HD       ARG  31 -13.484  -5.591   6.582
  238    HE   ARG  31           HE       ARG  31 -10.879  -5.146   7.216
  239   1HH1  ARG  31          1HH1      ARG  31 -11.369  -4.882  10.812
  240   2HH1  ARG  31          2HH1      ARG  31 -10.864  -3.789   9.568
  241   1HH2  ARG  31          1HH2      ARG  31 -12.790  -7.151   8.609
  242   2HH2  ARG  31          2HH2      ARG  31 -12.459  -6.787  10.270
  243    H    ASP  32           H        ASP  32  -9.855  -4.057   3.202
  244    HA   ASP  32           HA       ASP  32  -8.021  -5.404   3.826
  245   1HB   ASP  32          2HB       ASP  32  -9.736  -6.139   5.675
  246   2HB   ASP  32          1HB       ASP  32  -9.886  -7.596   4.692
  247    H    GLU  33           H        GLU  33  -8.575  -5.366   1.232
  248    HA   GLU  33           HA       GLU  33  -8.367  -8.232   0.414
  249   1HB   GLU  33          2HB       GLU  33 -10.608  -6.971  -0.123
  250   2HB   GLU  33          1HB       GLU  33  -9.652  -6.197  -1.387
  251   1HG   GLU  33          2HG       GLU  33  -8.925  -8.581  -2.047
  252   2HG   GLU  33          1HG       GLU  33 -10.265  -9.132  -1.040
  253    H    LEU  34           H        LEU  34  -6.471  -8.582  -0.631
  254    HA   LEU  34           HA       LEU  34  -4.449  -6.773  -1.084
  255   1HB   LEU  34          2HB       LEU  34  -4.223  -9.220  -1.417
  256   2HB   LEU  34          1HB       LEU  34  -5.139  -9.087  -2.919
  257    HG   LEU  34           HG       LEU  34  -3.413  -7.475  -3.762
  258   1HD1  LEU  34          3HD1      LEU  34  -2.286  -8.089  -1.054
  259   2HD1  LEU  34          2HD1      LEU  34  -1.168  -7.800  -2.388
  260   3HD1  LEU  34          1HD1      LEU  34  -2.331  -6.556  -1.924
  261   1HD2  LEU  34          2HD2      LEU  34  -2.714 -10.301  -2.984
  262   2HD2  LEU  34          1HD2      LEU  34  -3.119  -9.662  -4.577
  263   3HD2  LEU  34          3HD2      LEU  34  -1.550  -9.304  -3.855
  264    H    ILE  35           H        ILE  35  -3.753  -5.511  -2.910
  265    HA   ILE  35           HA       ILE  35  -5.807  -5.053  -5.019
  266    HB   ILE  35           HB       ILE  35  -4.448  -2.903  -3.365
  267   1HG1  ILE  35          2HG1      ILE  35  -7.395  -3.511  -3.737
  268   2HG1  ILE  35          1HG1      ILE  35  -6.447  -4.106  -2.373
  269   1HG2  ILE  35          2HG2      ILE  35  -4.658  -2.374  -5.817
  270   2HG2  ILE  35          1HG2      ILE  35  -6.401  -2.599  -5.664
  271   3HG2  ILE  35          3HG2      ILE  35  -5.598  -1.303  -4.777
  272   1HD1  ILE  35          3HD1      ILE  35  -6.130  -1.223  -2.869
  273   2HD1  ILE  35          2HD1      ILE  35  -7.770  -1.694  -2.424
  274   3HD1  ILE  35          1HD1      ILE  35  -6.421  -2.079  -1.355
  275    H    VAL  36           H        VAL  36  -2.472  -4.491  -3.913
  276    HA   VAL  36           HA       VAL  36  -1.485  -5.086  -6.608
  277    HB   VAL  36           HB       VAL  36  -2.057  -2.653  -6.722
  278   1HG1  VAL  36          1HG1      VAL  36   0.016  -2.475  -4.513
  279   2HG1  VAL  36          3HG1      VAL  36  -0.648  -1.093  -5.383
  280   3HG1  VAL  36          2HG1      VAL  36  -1.697  -2.084  -4.369
  281   1HG2  VAL  36          3HG2      VAL  36   0.884  -3.400  -6.768
  282   2HG2  VAL  36          2HG2      VAL  36  -0.249  -3.490  -8.117
  283   3HG2  VAL  36          1HG2      VAL  36   0.229  -1.920  -7.471
  284    H    ASP  37           H        ASP  37   0.526  -6.014  -6.450
  285    HA   ASP  37           HA       ASP  37   1.727  -6.152  -3.746
  286   1HB   ASP  37          2HB       ASP  37   1.931  -7.757  -6.263
  287   2HB   ASP  37          1HB       ASP  37   3.301  -7.779  -5.151
  288    H    ILE  38           H        ILE  38   3.998  -5.678  -3.424
  289    HA   ILE  38           HA       ILE  38   5.128  -3.847  -5.505
  290    HB   ILE  38           HB       ILE  38   5.798  -3.592  -2.584
  291   1HG1  ILE  38          2HG1      ILE  38   3.350  -2.500  -4.004
  292   2HG1  ILE  38          1HG1      ILE  38   3.378  -3.546  -2.583
  293   1HG2  ILE  38          3HG2      ILE  38   6.879  -2.372  -4.665
  294   2HG2  ILE  38          2HG2      ILE  38   5.436  -1.364  -4.562
  295   3HG2  ILE  38          1HG2      ILE  38   6.539  -1.469  -3.189
  296   1HD1  ILE  38          2HD1      ILE  38   4.995  -1.215  -2.087
  297   2HD1  ILE  38          1HD1      ILE  38   3.396  -0.714  -2.633
  298   3HD1  ILE  38          3HD1      ILE  38   3.558  -1.763  -1.224
  299    H    GLU  39           H        GLU  39   7.482  -3.853  -5.646
  300    HA   GLU  39           HA       GLU  39   8.734  -6.295  -4.455
  301   1HB   GLU  39          2HB       GLU  39   8.293  -5.697  -7.216
  302   2HB   GLU  39          1HB       GLU  39  10.029  -5.622  -6.911
  303   1HG   GLU  39          2HG       GLU  39   9.177  -7.868  -5.483
  304   2HG   GLU  39          1HG       GLU  39   8.276  -7.945  -6.998
  305    H    THR  40           H        THR  40  10.889  -6.038  -3.771
  306    HA   THR  40           HA       THR  40  12.040  -3.297  -4.067
  307    HB   THR  40           HB       THR  40  12.544  -4.804  -1.542
  308    HG1  THR  40           HG1      THR  40  10.603  -4.051  -0.685
  309   1HG2  THR  40          1HG2      THR  40  13.112  -2.273  -2.549
  310   2HG2  THR  40          3HG2      THR  40  11.787  -1.990  -1.422
  311   3HG2  THR  40          2HG2      THR  40  13.264  -2.777  -0.867
  312    H    ASP  41           H        ASP  41  14.468  -3.538  -3.043
  313    HA   ASP  41           HA       ASP  41  16.056  -4.861  -4.858
  314   1HB   ASP  41          2HB       ASP  41  16.944  -3.351  -3.115
  315   2HB   ASP  41          1HB       ASP  41  16.644  -4.589  -1.895
  316    H    LYS  42           H        LYS  42  15.101  -6.240  -1.689
  317    HA   LYS  42           HA       LYS  42  15.026  -8.918  -2.950
  318   1HB   LYS  42          2HB       LYS  42  16.578  -8.526  -0.390
  319   2HB   LYS  42          1HB       LYS  42  16.581  -9.920  -1.471
  320   1HG   LYS  42          2HG       LYS  42  17.678  -8.582  -3.219
  321   2HG   LYS  42          1HG       LYS  42  17.654  -7.169  -2.163
  322   1HD   LYS  42          2HD       LYS  42  19.291  -8.019  -0.754
  323   2HD   LYS  42          1HD       LYS  42  18.903  -9.695  -1.146
  324   1HE   LYS  42          2HE       LYS  42  20.137  -7.773  -3.133
  325   2HE   LYS  42          1HE       LYS  42  21.088  -8.862  -2.121
  326   1HZ   LYS  42          2HZ       LYS  42  18.871 -10.049  -3.585
  327   2HZ   LYS  42          1HZ       LYS  42  20.194  -9.534  -4.518
  328   3HZ   LYS  42          3HZ       LYS  42  20.424 -10.664  -3.275
  329    H    VAL  43           H        VAL  43  13.138  -6.937  -1.658
  330    HA   VAL  43           HA       VAL  43  11.974  -8.858   0.307
  331    HB   VAL  43           HB       VAL  43  11.680  -5.894   0.712
  332   1HG1  VAL  43          2HG1      VAL  43  11.667  -8.342   2.504
  333   2HG1  VAL  43          1HG1      VAL  43  11.523  -6.685   3.093
  334   3HG1  VAL  43          3HG1      VAL  43  10.276  -7.360   2.044
  335   1HG2  VAL  43          2HG2      VAL  43  14.129  -7.527   1.065
  336   2HG2  VAL  43          1HG2      VAL  43  13.957  -5.781   0.888
  337   3HG2  VAL  43          3HG2      VAL  43  13.674  -6.541   2.454
  338    H    VAL  44           H        VAL  44   9.853  -9.291  -0.127
  339    HA   VAL  44           HA       VAL  44   8.495  -7.550  -2.139
  340    HB   VAL  44           HB       VAL  44   7.529 -10.298  -1.407
  341   1HG1  VAL  44          1HG1      VAL  44   7.571  -8.654  -3.956
  342   2HG1  VAL  44          3HG1      VAL  44   6.862 -10.261  -3.802
  343   3HG1  VAL  44          2HG1      VAL  44   6.177  -8.905  -2.906
  344   1HG2  VAL  44          2HG2      VAL  44  10.113  -9.623  -2.618
  345   2HG2  VAL  44          1HG2      VAL  44   9.534 -11.171  -2.004
  346   3HG2  VAL  44          3HG2      VAL  44   9.128 -10.665  -3.643
  347    H    MET  45           H        MET  45   6.502  -6.654  -1.631
  348    HA   MET  45           HA       MET  45   5.338  -7.362   1.029
  349   1HB   MET  45          2HB       MET  45   5.944  -4.622  -0.096
  350   2HB   MET  45          1HB       MET  45   4.748  -4.861   1.179
  351   1HG   MET  45          2HG       MET  45   6.348  -5.588   2.725
  352   2HG   MET  45          1HG       MET  45   7.498  -6.043   1.468
  353   1HE   MET  45          1HE       MET  45   6.575  -3.916   4.073
  354   2HE   MET  45          3HE       MET  45   7.162  -2.271   3.791
  355   3HE   MET  45          2HE       MET  45   5.648  -2.806   3.067
  356    H    GLU  46           H        GLU  46   3.027  -6.273   1.141
  357    HA   GLU  46           HA       GLU  46   1.728  -6.592  -1.537
  358   1HB   GLU  46          2HB       GLU  46   0.309  -7.287   1.022
  359   2HB   GLU  46          1HB       GLU  46   0.002  -7.874  -0.613
  360   1HG   GLU  46          2HG       GLU  46   2.152  -9.108  -0.559
  361   2HG   GLU  46          1HG       GLU  46   2.415  -8.554   1.094
  362    H    VAL  47           H        VAL  47  -0.329  -5.378  -1.735
  363    HA   VAL  47           HA       VAL  47  -0.500  -3.076   0.163
  364    HB   VAL  47           HB       VAL  47  -0.957  -2.826  -2.815
  365   1HG1  VAL  47          3HG1      VAL  47  -1.015  -1.064  -0.449
  366   2HG1  VAL  47          2HG1      VAL  47  -0.127  -0.408  -1.825
  367   3HG1  VAL  47          1HG1      VAL  47  -1.816  -0.880  -2.010
  368   1HG2  VAL  47          2HG2      VAL  47   1.404  -3.567  -2.249
  369   2HG2  VAL  47          1HG2      VAL  47   1.295  -2.000  -3.051
  370   3HG2  VAL  47          3HG2      VAL  47   1.567  -2.083  -1.310
  371    H    LEU  48           H        LEU  48  -2.328  -4.087   1.173
  372    HA   LEU  48           HA       LEU  48  -4.700  -4.508  -0.561
  373   1HB   LEU  48          2HB       LEU  48  -5.469  -5.310   1.931
  374   2HB   LEU  48          1HB       LEU  48  -4.768  -6.381   0.727
  375    HG   LEU  48           HG       LEU  48  -3.079  -4.839   2.703
  376   1HD1  LEU  48          1HD1      LEU  48  -4.560  -7.432   2.998
  377   2HD1  LEU  48          3HD1      LEU  48  -2.976  -7.260   3.755
  378   3HD1  LEU  48          2HD1      LEU  48  -4.286  -6.162   4.191
  379   1HD2  LEU  48          2HD2      LEU  48  -2.433  -6.245   0.418
  380   2HD2  LEU  48          1HD2      LEU  48  -1.331  -5.950   1.763
  381   3HD2  LEU  48          3HD2      LEU  48  -2.230  -7.464   1.675
  382    H    ALA  49           H        ALA  49  -6.756  -3.578   0.155
  383    HA   ALA  49           HA       ALA  49  -6.423  -0.855   1.147
  384   1HB   ALA  49          1HB       ALA  49  -8.637  -2.494   0.018
  385   2HB   ALA  49          3HB       ALA  49  -9.101  -1.159   1.074
  386   3HB   ALA  49          2HB       ALA  49  -8.144  -0.847  -0.375
  387    H    GLU  50           H        GLU  50  -7.292  -0.025   3.113
  388    HA   GLU  50           HA       GLU  50  -7.483  -2.053   5.262
  389   1HB   GLU  50          2HB       GLU  50  -6.552   0.665   5.069
  390   2HB   GLU  50          1HB       GLU  50  -7.807   0.567   6.304
  391   1HG   GLU  50          2HG       GLU  50  -6.530  -1.554   7.110
  392   2HG   GLU  50          1HG       GLU  50  -5.187  -0.910   6.164
  393    H    ALA  51           H        ALA  51  -9.643  -1.057   3.157
  394    HA   ALA  51           HA       ALA  51 -11.924  -1.643   4.745
  395   1HB   ALA  51          1HB       ALA  51 -11.233   0.642   5.697
  396   2HB   ALA  51          3HB       ALA  51 -11.730   1.314   4.145
  397   3HB   ALA  51          2HB       ALA  51 -12.907   0.485   5.164
  398    H    ASP  52           H        ASP  52 -13.839  -1.668   3.451
  399    HA   ASP  52           HA       ASP  52 -13.480  -2.065   0.679
  400   1HB   ASP  52          2HB       ASP  52 -15.452  -3.004   1.396
  401   2HB   ASP  52          1HB       ASP  52 -15.834  -1.668   2.476
  402    H    GLY  53           H        GLY  53 -14.692  -0.714  -1.026
  403   1HA   GLY  53          2HA       GLY  53 -15.411   1.907  -0.999
  404   2HA   GLY  53          1HA       GLY  53 -13.654   2.036  -0.849
  405    H    VAL  54           H        VAL  54 -13.555   3.051  -2.954
  406    HA   VAL  54           HA       VAL  54 -13.674   1.056  -5.162
  407    HB   VAL  54           HB       VAL  54 -14.889   3.830  -5.170
  408   1HG1  VAL  54          2HG1      VAL  54 -14.371   1.961  -7.504
  409   2HG1  VAL  54          1HG1      VAL  54 -15.280   3.469  -7.583
  410   3HG1  VAL  54          3HG1      VAL  54 -13.555   3.498  -7.220
  411   1HG2  VAL  54          3HG2      VAL  54 -16.314   1.985  -4.346
  412   2HG2  VAL  54          2HG2      VAL  54 -16.899   2.590  -5.896
  413   3HG2  VAL  54          1HG2      VAL  54 -15.993   1.078  -5.825
  414    H    ILE  55           H        ILE  55 -11.769   1.058  -6.258
  415    HA   ILE  55           HA       ILE  55  -9.615   2.803  -5.576
  416    HB   ILE  55           HB       ILE  55  -9.946   1.199  -8.128
  417   1HG1  ILE  55          2HG1      ILE  55 -10.309  -0.056  -5.925
  418   2HG1  ILE  55          1HG1      ILE  55  -9.022  -0.672  -6.959
  419   1HG2  ILE  55          1HG2      ILE  55  -7.561   2.327  -6.641
  420   2HG2  ILE  55          3HG2      ILE  55  -7.416   1.097  -7.896
  421   3HG2  ILE  55          2HG2      ILE  55  -8.069   2.687  -8.291
  422   1HD1  ILE  55          1HD1      ILE  55  -8.542   1.302  -4.713
  423   2HD1  ILE  55          3HD1      ILE  55  -8.395  -0.445  -4.515
  424   3HD1  ILE  55          2HD1      ILE  55  -7.329   0.410  -5.631
  425    H    ALA  56           H        ALA  56  -8.576   4.410  -6.989
  426    HA   ALA  56           HA       ALA  56 -10.613   5.990  -8.467
  427   1HB   ALA  56          1HB       ALA  56  -7.815   6.717  -7.544
  428   2HB   ALA  56          3HB       ALA  56  -8.939   7.817  -8.340
  429   3HB   ALA  56          2HB       ALA  56  -9.318   7.173  -6.742
  430    H    GLU  57           H        GLU  57  -7.102   5.477  -8.955
  431    HA   GLU  57           HA       GLU  57  -7.394   4.211 -11.512
  432   1HB   GLU  57          2HB       GLU  57  -6.677   6.101 -12.950
  433   2HB   GLU  57          1HB       GLU  57  -8.243   6.413 -12.200
  434   1HG   GLU  57          2HG       GLU  57  -7.421   8.071 -10.844
  435   2HG   GLU  57          1HG       GLU  57  -5.844   7.299 -10.681
  436    H    ILE  58           H        ILE  58  -5.381   3.467 -12.220
  437    HA   ILE  58           HA       ILE  58  -3.119   4.024 -10.388
  438    HB   ILE  58           HB       ILE  58  -3.220   2.022 -12.657
  439   1HG1  ILE  58          2HG1      ILE  58  -5.081   1.470 -11.244
  440   2HG1  ILE  58          1HG1      ILE  58  -3.766   0.388 -10.775
  441   1HG2  ILE  58          2HG2      ILE  58  -1.007   2.658 -11.607
  442   2HG2  ILE  58          1HG2      ILE  58  -1.625   2.028 -10.081
  443   3HG2  ILE  58          3HG2      ILE  58  -1.421   0.950 -11.461
  444   1HD1  ILE  58          2HD1      ILE  58  -3.165   2.056  -8.969
  445   2HD1  ILE  58          1HD1      ILE  58  -4.657   2.912  -9.358
  446   3HD1  ILE  58          3HD1      ILE  58  -4.722   1.259  -8.743
  447    H    VAL  59           H        VAL  59  -1.262   5.076 -11.055
  448    HA   VAL  59           HA       VAL  59  -1.391   6.421 -13.683
  449    HB   VAL  59           HB       VAL  59   0.690   6.715 -11.500
  450   1HG1  VAL  59          1HG1      VAL  59   0.225   7.911 -14.138
  451   2HG1  VAL  59          3HG1      VAL  59   0.391   9.110 -12.856
  452   3HG1  VAL  59          2HG1      VAL  59   1.676   7.934 -13.134
  453   1HG2  VAL  59          2HG2      VAL  59  -2.006   8.001 -11.915
  454   2HG2  VAL  59          1HG2      VAL  59  -1.320   7.336 -10.433
  455   3HG2  VAL  59          3HG2      VAL  59  -0.717   8.863 -11.075
  456    H    LYS  60           H        LYS  60   1.102   4.599 -11.853
  457    HA   LYS  60           HA       LYS  60   2.494   4.018 -14.392
  458   1HB   LYS  60          2HB       LYS  60   3.216   4.160 -11.595
  459   2HB   LYS  60          1HB       LYS  60   3.719   2.613 -12.276
  460   1HG   LYS  60          2HG       LYS  60   4.297   5.291 -13.572
  461   2HG   LYS  60          1HG       LYS  60   5.435   4.440 -12.527
  462   1HD   LYS  60          2HD       LYS  60   6.146   3.505 -14.481
  463   2HD   LYS  60          1HD       LYS  60   4.754   2.445 -14.253
  464   1HE   LYS  60          2HE       LYS  60   3.847   3.234 -16.153
  465   2HE   LYS  60          1HE       LYS  60   3.819   4.856 -15.459
  466   1HZ   LYS  60          1HZ       LYS  60   6.210   3.651 -16.736
  467   2HZ   LYS  60          3HZ       LYS  60   5.111   4.651 -17.556
  468   3HZ   LYS  60          2HZ       LYS  60   6.005   5.266 -16.248
  469    H    ASN  61           H        ASN  61   3.131   1.717 -14.840
  470    HA   ASN  61           HA       ASN  61   0.840  -0.082 -14.210
  471   1HB   ASN  61          2HB       ASN  61   2.974  -0.342 -16.352
  472   2HB   ASN  61          1HB       ASN  61   1.553  -1.371 -16.169
  473   1HD2  ASN  61          2HD2      ASN  61   1.088   2.429 -17.661
  474   2HD2  ASN  61          1HD2      ASN  61   2.515   2.027 -16.816
  475    H    GLU  62           H        GLU  62   1.322  -2.329 -13.656
  476    HA   GLU  62           HA       GLU  62   3.423  -2.578 -11.710
  477   1HB   GLU  62          2HB       GLU  62   2.795  -5.047 -11.807
  478   2HB   GLU  62          1HB       GLU  62   1.471  -3.944 -11.432
  479   1HG   GLU  62          2HG       GLU  62   0.344  -4.797 -13.183
  480   2HG   GLU  62          1HG       GLU  62   1.566  -4.090 -14.247
  481    H    GLY  63           H        GLY  63   5.229  -4.151 -11.836
  482   1HA   GLY  63          2HA       GLY  63   6.955  -5.306 -12.984
  483   2HA   GLY  63          1HA       GLY  63   6.072  -5.059 -14.494
  484    H    ASP  64           H        ASP  64   6.026  -2.084 -13.249
  485    HA   ASP  64           HA       ASP  64   8.507  -1.320 -14.702
  486   1HB   ASP  64          2HB       ASP  64   6.853  -0.038 -15.656
  487   2HB   ASP  64          1HB       ASP  64   5.869  -0.010 -14.192
  488    H    THR  65           H        THR  65   9.580   0.710 -13.733
  489    HA   THR  65           HA       THR  65  10.097   0.133 -10.872
  490    HB   THR  65           HB       THR  65  11.957   0.449 -12.589
  491    HG1  THR  65           HG1      THR  65  12.113   0.757 -10.244
  492   1HG2  THR  65          1HG2      THR  65  10.861   2.379 -13.735
  493   2HG2  THR  65          3HG2      THR  65  11.156   3.356 -12.296
  494   3HG2  THR  65          2HG2      THR  65  12.514   2.728 -13.230
  495    H    VAL  66           H        VAL  66  10.034   1.844  -9.275
  496    HA   VAL  66           HA       VAL  66   8.396   4.209 -10.087
  497    HB   VAL  66           HB       VAL  66   7.145   4.037  -7.997
  498   1HG1  VAL  66          1HG1      VAL  66   6.841   2.397 -10.160
  499   2HG1  VAL  66          3HG1      VAL  66   6.974   1.212  -8.859
  500   3HG1  VAL  66          2HG1      VAL  66   5.719   2.451  -8.801
  501   1HG2  VAL  66          3HG2      VAL  66   9.126   1.827  -7.483
  502   2HG2  VAL  66          2HG2      VAL  66   8.632   3.142  -6.416
  503   3HG2  VAL  66          1HG2      VAL  66   7.541   1.787  -6.711
  504    H    LEU  67           H        LEU  67   8.418   5.706  -7.872
  505    HA   LEU  67           HA       LEU  67  11.283   5.878  -7.035
  506   1HB   LEU  67          2HB       LEU  67   9.726   7.779  -8.561
  507   2HB   LEU  67          1HB       LEU  67  10.223   8.493  -7.027
  508    HG   LEU  67           HG       LEU  67  12.266   6.930  -8.538
  509   1HD1  LEU  67          1HD1      LEU  67  11.149   8.337 -10.266
  510   2HD1  LEU  67          3HD1      LEU  67  11.462   9.761  -9.274
  511   3HD1  LEU  67          2HD1      LEU  67  12.808   8.848  -9.956
  512   1HD2  LEU  67          2HD2      LEU  67  12.730   7.956  -6.328
  513   2HD2  LEU  67          1HD2      LEU  67  13.729   8.673  -7.593
  514   3HD2  LEU  67          3HD2      LEU  67  12.319   9.540  -6.986
  515    H    SER  68           H        SER  68  11.458   7.393  -5.045
  516    HA   SER  68           HA       SER  68   9.667   6.382  -3.004
  517   1HB   SER  68          2HB       SER  68  11.839   6.816  -2.217
  518   2HB   SER  68          1HB       SER  68  11.935   8.364  -3.052
  519    HG   SER  68           HG       SER  68  10.442   9.192  -1.585
  520    H    GLY  69           H        GLY  69   7.556   7.099  -3.285
  521   1HA   GLY  69          2HA       GLY  69   6.032   8.862  -2.458
  522   2HA   GLY  69          1HA       GLY  69   7.163  10.055  -3.098
  523    H    GLU  70           H        GLU  70   6.734   7.334  -5.119
  524    HA   GLU  70           HA       GLU  70   5.509   8.977  -7.184
  525   1HB   GLU  70          2HB       GLU  70   7.158   7.056  -7.551
  526   2HB   GLU  70          1HB       GLU  70   5.811   5.966  -7.221
  527   1HG   GLU  70          2HG       GLU  70   4.626   7.591  -9.020
  528   2HG   GLU  70          1HG       GLU  70   6.296   7.717  -9.574
  529    H    LEU  71           H        LEU  71   3.357   9.375  -7.283
  530    HA   LEU  71           HA       LEU  71   1.447   7.958  -5.646
  531   1HB   LEU  71          2HB       LEU  71   1.088  10.299  -6.293
  532   2HB   LEU  71          1HB       LEU  71   1.018   9.833  -7.993
  533    HG   LEU  71           HG       LEU  71  -0.947   8.400  -7.506
  534   1HD1  LEU  71          1HD1      LEU  71  -0.106   8.958  -4.788
  535   2HD1  LEU  71          3HD1      LEU  71  -1.798   9.402  -5.019
  536   3HD1  LEU  71          2HD1      LEU  71  -1.261   7.758  -5.369
  537   1HD2  LEU  71          3HD2      LEU  71  -0.821  11.241  -7.520
  538   2HD2  LEU  71          2HD2      LEU  71  -2.179  10.222  -7.997
  539   3HD2  LEU  71          1HD2      LEU  71  -2.043  10.789  -6.331
  540    H    LEU  72           H        LEU  72   0.998   5.845  -6.103
  541    HA   LEU  72           HA       LEU  72   0.972   4.913  -8.902
  542   1HB   LEU  72          2HB       LEU  72   0.246   3.289  -6.459
  543   2HB   LEU  72          1HB       LEU  72   0.864   2.713  -8.007
  544    HG   LEU  72           HG       LEU  72   2.433   4.512  -6.143
  545   1HD1  LEU  72          2HD1      LEU  72   1.856   1.705  -5.935
  546   2HD1  LEU  72          1HD1      LEU  72   3.562   1.911  -6.329
  547   3HD1  LEU  72          3HD1      LEU  72   2.887   2.693  -4.900
  548   1HD2  LEU  72          2HD2      LEU  72   2.753   3.807  -8.856
  549   2HD2  LEU  72          1HD2      LEU  72   3.941   4.595  -7.818
  550   3HD2  LEU  72          3HD2      LEU  72   3.931   2.838  -7.970
  551    H    GLY  73           H        GLY  73  -1.241   6.153  -6.620
  552   1HA   GLY  73          2HA       GLY  73  -3.453   6.334  -8.251
  553   2HA   GLY  73          1HA       GLY  73  -3.584   4.701  -7.586
  554    H    LYS  74           H        LYS  74  -5.627   6.177  -6.845
  555    HA   LYS  74           HA       LYS  74  -5.015   6.882  -4.015
  556   1HB   LYS  74          2HB       LYS  74  -6.502   8.563  -6.039
  557   2HB   LYS  74          1HB       LYS  74  -6.752   8.763  -4.304
  558   1HG   LYS  74          2HG       LYS  74  -4.616   9.580  -3.947
  559   2HG   LYS  74          1HG       LYS  74  -3.941   8.712  -5.326
  560   1HD   LYS  74          2HD       LYS  74  -4.101  11.199  -5.675
  561   2HD   LYS  74          1HD       LYS  74  -4.975  10.254  -6.881
  562   1HE   LYS  74          2HE       LYS  74  -6.910  11.247  -6.314
  563   2HE   LYS  74          1HE       LYS  74  -6.700  10.758  -4.632
  564   1HZ   LYS  74          1HZ       LYS  74  -5.029  12.707  -4.587
  565   2HZ   LYS  74          3HZ       LYS  74  -5.868  13.249  -5.958
  566   3HZ   LYS  74          2HZ       LYS  74  -6.692  13.038  -4.487
  567    H    LEU  75           H        LEU  75  -6.676   6.324  -2.572
  568    HA   LEU  75           HA       LEU  75  -8.754   4.543  -3.706
  569   1HB   LEU  75          2HB       LEU  75  -7.267   3.947  -1.688
  570   2HB   LEU  75          1HB       LEU  75  -8.260   5.083  -0.775
  571    HG   LEU  75           HG       LEU  75 -10.292   3.810  -1.537
  572   1HD1  LEU  75          3HD1      LEU  75  -8.447   2.644  -3.296
  573   2HD1  LEU  75          2HD1      LEU  75  -8.826   1.370  -2.137
  574   3HD1  LEU  75          1HD1      LEU  75 -10.120   2.145  -3.050
  575   1HD2  LEU  75          3HD2      LEU  75  -8.120   2.595   0.150
  576   2HD2  LEU  75          2HD2      LEU  75  -9.670   3.270   0.652
  577   3HD2  LEU  75          1HD2      LEU  75  -9.608   1.690  -0.133
  578    H    THR  76           H        THR  76 -10.953   4.990  -3.558
  579    HA   THR  76           HA       THR  76 -11.649   7.702  -2.504
  580    HB   THR  76           HB       THR  76 -13.211   6.104  -4.547
  581    HG1  THR  76           HG1      THR  76 -11.594   6.566  -5.797
  582   1HG2  THR  76          1HG2      THR  76 -13.311   8.871  -3.403
  583   2HG2  THR  76          3HG2      THR  76 -13.826   8.620  -5.071
  584   3HG2  THR  76          2HG2      THR  76 -14.633   7.760  -3.760
  585    H    GLU  77           H        GLU  77 -14.077   7.771  -1.831
  586    HA   GLU  77           HA       GLU  77 -14.458   5.762   0.232
  587   1HB   GLU  77          2HB       GLU  77 -16.155   8.061  -0.765
  588   2HB   GLU  77          1HB       GLU  77 -16.675   6.993   0.539
  589   1HG   GLU  77          2HG       GLU  77 -14.057   7.679   1.225
  590   2HG   GLU  77          1HG       GLU  77 -14.750   9.180   0.606
  591    H    GLY  78           H        GLY  78 -16.825   6.766  -2.253
  592   1HA   GLY  78          2HA       GLY  78 -17.268   3.890  -2.888
  593   2HA   GLY  78          1HA       GLY  78 -18.648   4.877  -2.398
  594    H    GLY  79           HN       GLY  79 -19.638   4.577  -4.486
  595   1HA   GLY  79          2HA       GLY  79 -18.270   5.349  -6.925
  596   2HA   GLY  79          1HA       GLY  79 -20.002   5.053  -6.765
   
  No H/Q in entry =         596
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1 -10.058   9.196   3.164
    2   2H    ALA   1          3H        ALA   1 -10.645  10.560   2.342
    3   3H    ALA   1          2H        ALA   1 -11.563   9.131   2.377
    4    HA   ALA   1           HA       ALA   1 -10.618   8.463   0.510
    5   1HB   ALA   1          2HB       ALA   1  -9.814  11.175   0.757
    6   2HB   ALA   1          1HB       ALA   1  -8.409  10.275   0.186
    7   3HB   ALA   1          3HB       ALA   1  -9.921  10.215  -0.718
    8    H    ILE   2           H        ILE   2  -8.433   7.661  -0.436
    9    HA   ILE   2           HA       ILE   2  -6.416   7.107   1.666
   10    HB   ILE   2           HB       ILE   2  -7.780   4.913   0.072
   11   1HG1  ILE   2          2HG1      ILE   2  -9.169   5.915   1.914
   12   2HG1  ILE   2          1HG1      ILE   2  -8.755   4.223   2.190
   13   1HG2  ILE   2          1HG2      ILE   2  -5.367   4.542   0.578
   14   2HG2  ILE   2          3HG2      ILE   2  -5.716   4.778   2.291
   15   3HG2  ILE   2          2HG2      ILE   2  -6.414   3.406   1.429
   16   1HD1  ILE   2          3HD1      ILE   2  -6.762   6.121   3.233
   17   2HD1  ILE   2          2HD1      ILE   2  -8.343   6.248   4.005
   18   3HD1  ILE   2          1HD1      ILE   2  -7.482   4.708   4.005
   19    H    ASP   3           H        ASP   3  -4.805   8.173   0.514
   20    HA   ASP   3           HA       ASP   3  -4.458   7.723  -2.358
   21   1HB   ASP   3          2HB       ASP   3  -3.897   9.897  -1.241
   22   2HB   ASP   3          1HB       ASP   3  -2.580   9.075  -0.395
   23    H    ILE   4           H        ILE   4  -3.142   6.201  -3.275
   24    HA   ILE   4           HA       ILE   4  -1.552   4.492  -1.418
   25    HB   ILE   4           HB       ILE   4  -2.389   3.916  -4.275
   26   1HG1  ILE   4          2HG1      ILE   4  -3.612   2.758  -1.765
   27   2HG1  ILE   4          1HG1      ILE   4  -4.259   4.213  -2.523
   28   1HG2  ILE   4          2HG2      ILE   4  -0.619   2.634  -2.387
   29   2HG2  ILE   4          1HG2      ILE   4  -1.985   1.577  -2.741
   30   3HG2  ILE   4          3HG2      ILE   4  -0.974   2.180  -4.054
   31   1HD1  ILE   4          1HD1      ILE   4  -3.756   2.052  -4.439
   32   2HD1  ILE   4          3HD1      ILE   4  -4.940   1.619  -3.206
   33   3HD1  ILE   4          2HD1      ILE   4  -5.199   3.042  -4.217
   34    H    LYS   5           H        LYS   5   0.430   5.550  -1.300
   35    HA   LYS   5           HA       LYS   5   1.757   6.231  -3.886
   36   1HB   LYS   5          2HB       LYS   5   2.823   7.032  -1.192
   37   2HB   LYS   5          1HB       LYS   5   3.014   7.841  -2.747
   38   1HG   LYS   5          2HG       LYS   5   0.355   8.017  -2.557
   39   2HG   LYS   5          1HG       LYS   5   0.724   7.926  -0.833
   40   1HD   LYS   5          2HD       LYS   5   2.527   9.744  -1.392
   41   2HD   LYS   5          1HD       LYS   5   1.546  10.015  -2.833
   42   1HE   LYS   5          2HE       LYS   5   0.256  11.351  -1.548
   43   2HE   LYS   5          1HE       LYS   5  -0.328   9.875  -0.781
   44   1HZ   LYS   5          2HZ       LYS   5   2.154  11.221   0.099
   45   2HZ   LYS   5          1HZ       LYS   5   0.633  11.647   0.725
   46   3HZ   LYS   5          3HZ       LYS   5   1.225  10.071   0.936
   47    H    ALA   6           H        ALA   6   4.301   5.957  -3.597
   48    HA   ALA   6           HA       ALA   6   4.733   3.110  -3.130
   49   1HB   ALA   6          1HB       ALA   6   6.164   5.325  -4.394
   50   2HB   ALA   6          3HB       ALA   6   7.235   4.272  -3.468
   51   3HB   ALA   6          2HB       ALA   6   6.231   3.600  -4.752
   52    HA   PRO   7           HA       PRO   7   6.367   3.309   0.934
   53   1HB   PRO   7          2HB       PRO   7   8.373   1.434   0.792
   54   2HB   PRO   7          1HB       PRO   7   6.649   1.024   0.830
   55   1HG   PRO   7          2HG       PRO   7   8.543   0.963  -1.474
   56   2HG   PRO   7          1HG       PRO   7   7.073   0.012  -1.205
   57   1HD   PRO   7          2HD       PRO   7   7.297   2.264  -2.904
   58   2HD   PRO   7          1HD       PRO   7   5.779   1.517  -2.354
   59    H    THR   8           H        THR   8   8.225   4.028   2.211
   60    HA   THR   8           HA       THR   8   9.819   6.041   0.956
   61    HB   THR   8           HB       THR   8   9.308   6.095   3.358
   62    HG1  THR   8           HG1      THR   8  11.099   7.209   3.123
   63   1HG2  THR   8          2HG2      THR   8   9.650   3.467   3.418
   64   2HG2  THR   8          1HG2      THR   8  11.294   3.917   3.872
   65   3HG2  THR   8          3HG2      THR   8   9.930   4.444   4.858
   66    H    PHE   9           H        PHE   9  12.024   6.023   0.355
   67    HA   PHE   9           HA       PHE   9  13.326   3.333   0.289
   68   1HB   PHE   9          2HB       PHE   9  13.176   5.387  -1.937
   69   2HB   PHE   9          1HB       PHE   9  14.251   3.985  -1.961
   70    HD1  PHE   9           HD1      PHE   9  12.629   1.866  -0.778
   71    HD2  PHE   9           HD2      PHE   9  11.490   4.973  -3.520
   72    HE1  PHE   9           HE1      PHE   9  10.768   0.451  -1.609
   73    HE2  PHE   9           HE2      PHE   9   9.629   3.558  -4.351
   74    HZ   PHE   9           HZ       PHE   9   9.268   1.297  -3.396
   75    HA   PRO  10           HA       PRO  10  16.222   6.279   2.200
   76   1HB   PRO  10          2HB       PRO  10  17.185   4.442   4.005
   77   2HB   PRO  10          1HB       PRO  10  15.743   5.432   4.291
   78   1HG   PRO  10          2HG       PRO  10  15.926   2.536   3.600
   79   2HG   PRO  10          1HG       PRO  10  14.656   3.401   4.481
   80   1HD   PRO  10          2HD       PRO  10  14.535   2.585   1.772
   81   2HD   PRO  10          1HD       PRO  10  13.430   3.729   2.571
   82    H    GLU  11           H        GLU  11  18.680   5.246   3.032
   83    HA   GLU  11           HA       GLU  11  20.158   4.983   0.661
   84   1HB   GLU  11          2HB       GLU  11  21.101   5.443   2.950
   85   2HB   GLU  11          1HB       GLU  11  20.898   3.730   3.321
   86   1HG   GLU  11          2HG       GLU  11  22.209   3.873   0.808
   87   2HG   GLU  11          1HG       GLU  11  23.034   5.007   1.880
   88    H    SER  12           H        SER  12  19.206   2.326   2.870
   89    HA   SER  12           HA       SER  12  20.159   0.137   1.502
   90   1HB   SER  12          2HB       SER  12  18.834   0.006   3.601
   91   2HB   SER  12          1HB       SER  12  17.370   0.356   2.679
   92    HG   SER  12           HG       SER  12  19.022  -1.923   2.658
   93    H    ILE  13           H        ILE  13  16.884   1.483   0.914
   94    HA   ILE  13           HA       ILE  13  16.980   0.237  -1.791
   95    HB   ILE  13           HB       ILE  13  14.605   1.463  -0.361
   96   1HG1  ILE  13          2HG1      ILE  13  15.154  -1.490  -0.649
   97   2HG1  ILE  13          1HG1      ILE  13  15.781  -0.588   0.730
   98   1HG2  ILE  13          1HG2      ILE  13  14.905  -0.326  -2.789
   99   2HG2  ILE  13          3HG2      ILE  13  13.362   0.025  -2.012
  100   3HG2  ILE  13          2HG2      ILE  13  14.290   1.326  -2.758
  101   1HD1  ILE  13          2HD1      ILE  13  13.390   0.261   1.076
  102   2HD1  ILE  13          1HD1      ILE  13  12.894  -0.984  -0.071
  103   3HD1  ILE  13          3HD1      ILE  13  13.673  -1.441   1.443
  104    H    ALA  14           H        ALA  14  17.543   1.576  -3.430
  105    HA   ALA  14           HA       ALA  14  17.237   4.506  -3.052
  106   1HB   ALA  14          1HB       ALA  14  19.342   3.110  -4.009
  107   2HB   ALA  14          3HB       ALA  14  18.484   3.413  -5.521
  108   3HB   ALA  14          2HB       ALA  14  18.991   4.765  -4.508
  109    H    ASP  15           H        ASP  15  15.405   2.034  -4.248
  110    HA   ASP  15           HA       ASP  15  13.599   3.789  -5.631
  111   1HB   ASP  15          2HB       ASP  15  13.934   2.411  -7.870
  112   2HB   ASP  15          1HB       ASP  15  14.916   3.839  -7.545
  113    H    GLY  16           H        GLY  16  12.120   2.125  -7.137
  114   1HA   GLY  16          2HA       GLY  16  11.857  -0.495  -5.823
  115   2HA   GLY  16          1HA       GLY  16  10.528   0.626  -5.529
  116    H    THR  17           H        THR  17   9.884  -1.673  -6.826
  117    HA   THR  17           HA       THR  17   9.126  -0.655  -9.494
  118    HB   THR  17           HB       THR  17  10.715  -3.200  -9.059
  119    HG1  THR  17           HG1      THR  17  11.776  -2.018 -10.954
  120   1HG2  THR  17          3HG2      THR  17   8.591  -2.728 -10.892
  121   2HG2  THR  17          2HG2      THR  17  10.097  -2.696 -11.810
  122   3HG2  THR  17          1HG2      THR  17   9.687  -4.108 -10.836
  123    H    VAL  18           H        VAL  18   6.962  -0.991  -9.571
  124    HA   VAL  18           HA       VAL  18   5.399  -2.426  -7.785
  125    HB   VAL  18           HB       VAL  18   4.853  -2.194 -10.761
  126   1HG1  VAL  18          1HG1      VAL  18   3.189  -2.819  -8.333
  127   2HG1  VAL  18          3HG1      VAL  18   2.451  -2.028  -9.726
  128   3HG1  VAL  18          2HG1      VAL  18   3.199  -3.615  -9.907
  129   1HG2  VAL  18          1HG2      VAL  18   5.249  -0.160  -8.828
  130   2HG2  VAL  18          3HG2      VAL  18   4.593   0.025 -10.455
  131   3HG2  VAL  18          2HG2      VAL  18   3.508  -0.258  -9.093
  132    H    ALA  19           H        ALA  19   4.145  -4.512  -8.263
  133    HA   ALA  19           HA       ALA  19   6.044  -6.535  -9.379
  134   1HB   ALA  19          2HB       ALA  19   5.119  -6.434  -6.828
  135   2HB   ALA  19          1HB       ALA  19   3.866  -7.427  -7.573
  136   3HB   ALA  19          3HB       ALA  19   5.554  -7.938  -7.640
  137    H    THR  20           H        THR  20   2.542  -6.522  -8.635
  138    HA   THR  20           HA       THR  20   1.869  -6.833 -11.469
  139    HB   THR  20           HB       THR  20   1.607  -9.130  -9.514
  140    HG1  THR  20           HG1      THR  20   2.593  -9.077 -12.161
  141   1HG2  THR  20          3HG2      THR  20  -0.532  -8.748 -10.728
  142   2HG2  THR  20          2HG2      THR  20   0.345  -8.851 -12.255
  143   3HG2  THR  20          1HG2      THR  20   0.246 -10.258 -11.197
  144    H    TRP  21           H        TRP  21  -0.193  -6.068 -11.807
  145    HA   TRP  21           HA       TRP  21  -1.713  -5.195  -9.444
  146   1HB   TRP  21          2HB       TRP  21  -1.677  -4.584 -12.362
  147   2HB   TRP  21          1HB       TRP  21  -3.196  -4.359 -11.504
  148    HD1  TRP  21           HD1      TRP  21   0.278  -2.936 -11.873
  149    HE1  TRP  21           HE1      TRP  21   0.462  -0.759 -10.494
  150    HE3  TRP  21           HE3      TRP  21  -4.128  -3.129  -9.284
  151    HZ2  TRP  21           HZ2      TRP  21  -1.027   0.689  -8.582
  152    HZ3  TRP  21           HZ3      TRP  21  -4.718  -1.327  -7.684
  153    HH2  TRP  21           HH2      TRP  21  -3.174   0.585  -7.328
  154    H    HIS  22           H        HIS  22  -2.399  -7.337  -8.743
  155    HA   HIS  22           HA       HIS  22  -3.644  -9.353 -10.184
  156   1HB   HIS  22          2HB       HIS  22  -5.049  -8.462  -7.686
  157   2HB   HIS  22          1HB       HIS  22  -4.623 -10.095  -8.209
  158    HD1  HIS  22           HD1      HIS  22  -3.116  -6.987  -6.706
  159    HD2  HIS  22           HD2      HIS  22  -2.054 -10.952  -7.411
  160    HE1  HIS  22           HE1      HIS  22  -0.883  -7.331  -5.598
  161    H    LYS  23           H        LYS  23  -5.665  -6.889  -8.556
  162    HA   LYS  23           HA       LYS  23  -7.633  -7.213 -10.767
  163   1HB   LYS  23          2HB       LYS  23  -7.834  -6.817  -7.909
  164   2HB   LYS  23          1HB       LYS  23  -8.697  -5.536  -8.762
  165   1HG   LYS  23          2HG       LYS  23 -10.024  -7.127  -9.979
  166   2HG   LYS  23          1HG       LYS  23  -9.031  -8.473  -9.418
  167   1HD   LYS  23          2HD       LYS  23  -9.775  -7.401  -7.036
  168   2HD   LYS  23          1HD       LYS  23 -11.187  -7.003  -8.013
  169   1HE   LYS  23          2HE       LYS  23 -10.248  -9.728  -8.488
  170   2HE   LYS  23          1HE       LYS  23 -10.690  -9.457  -6.803
  171   1HZ   LYS  23          2HZ       LYS  23 -12.661  -8.214  -8.208
  172   2HZ   LYS  23          1HZ       LYS  23 -12.362  -9.617  -9.120
  173   3HZ   LYS  23          3HZ       LYS  23 -12.775  -9.744  -7.479
  174    H    LYS  24           H        LYS  24  -8.960  -4.858 -10.769
  175    HA   LYS  24           HA       LYS  24  -6.852  -2.799 -11.296
  176   1HB   LYS  24          2HB       LYS  24  -8.965  -3.886 -13.054
  177   2HB   LYS  24          1HB       LYS  24  -8.856  -2.126 -13.032
  178   1HG   LYS  24          2HG       LYS  24  -6.454  -2.252 -13.544
  179   2HG   LYS  24          1HG       LYS  24  -6.537  -4.014 -13.536
  180   1HD   LYS  24          2HD       LYS  24  -8.568  -3.347 -15.275
  181   2HD   LYS  24          1HD       LYS  24  -7.357  -2.113 -15.624
  182   1HE   LYS  24          2HE       LYS  24  -5.952  -4.556 -15.342
  183   2HE   LYS  24          1HE       LYS  24  -7.347  -4.895 -16.366
  184   1HZ   LYS  24          2HZ       LYS  24  -5.425  -2.669 -16.777
  185   2HZ   LYS  24          1HZ       LYS  24  -5.430  -4.131 -17.645
  186   3HZ   LYS  24          3HZ       LYS  24  -6.737  -3.059 -17.783
  187    HA   PRO  25           HA       PRO  25  -9.329  -0.011  -8.989
  188   1HB   PRO  25          2HB       PRO  25  -8.992   2.322 -10.407
  189   2HB   PRO  25          1HB       PRO  25  -7.732   1.604  -9.388
  190   1HG   PRO  25          2HG       PRO  25  -7.947   1.637 -12.366
  191   2HG   PRO  25          1HG       PRO  25  -6.502   1.546 -11.346
  192   1HD   PRO  25          2HD       PRO  25  -7.703  -0.628 -12.689
  193   2HD   PRO  25          1HD       PRO  25  -6.501  -0.747 -11.388
  194    H    GLY  26           H        GLY  26 -11.522   0.350  -8.898
  195   1HA   GLY  26          2HA       GLY  26 -13.490   1.488  -9.943
  196   2HA   GLY  26          1HA       GLY  26 -12.967   0.792 -11.483
  197    H    GLU  27           H        GLU  27 -12.255  -1.666  -9.616
  198    HA   GLU  27           HA       GLU  27 -14.856  -2.985 -10.083
  199   1HB   GLU  27          2HB       GLU  27 -12.331  -4.215  -8.951
  200   2HB   GLU  27          1HB       GLU  27 -13.687  -5.048  -9.711
  201   1HG   GLU  27          2HG       GLU  27 -12.568  -2.987 -11.446
  202   2HG   GLU  27          1HG       GLU  27 -11.363  -4.194 -10.995
  203    H    ALA  28           H        ALA  28 -15.142  -4.790  -8.124
  204    HA   ALA  28           HA       ALA  28 -15.945  -3.169  -5.846
  205   1HB   ALA  28          3HB       ALA  28 -16.061  -6.113  -6.493
  206   2HB   ALA  28          2HB       ALA  28 -16.491  -5.517  -4.890
  207   3HB   ALA  28          1HB       ALA  28 -17.396  -4.976  -6.303
  208    H    VAL  29           H        VAL  29 -14.955  -3.051  -3.832
  209    HA   VAL  29           HA       VAL  29 -12.417  -4.595  -3.498
  210    HB   VAL  29           HB       VAL  29 -12.894  -1.715  -2.674
  211   1HG1  VAL  29          3HG1      VAL  29 -10.724  -3.713  -2.223
  212   2HG1  VAL  29          2HG1      VAL  29 -10.237  -2.049  -2.550
  213   3HG1  VAL  29          1HG1      VAL  29 -11.284  -2.408  -1.177
  214   1HG2  VAL  29          3HG2      VAL  29 -11.540  -2.994  -5.040
  215   2HG2  VAL  29          2HG2      VAL  29 -12.633  -1.611  -5.006
  216   3HG2  VAL  29          1HG2      VAL  29 -10.975  -1.438  -4.432
  217    H    LYS  30           H        LYS  30 -11.797  -4.841  -1.181
  218    HA   LYS  30           HA       LYS  30 -13.916  -4.343   0.805
  219   1HB   LYS  30          2HB       LYS  30 -14.309  -6.609  -0.452
  220   2HB   LYS  30          1HB       LYS  30 -12.955  -7.179   0.526
  221   1HG   LYS  30          2HG       LYS  30 -14.797  -7.679   1.887
  222   2HG   LYS  30          1HG       LYS  30 -14.273  -6.117   2.519
  223   1HD   LYS  30          2HD       LYS  30 -16.219  -5.147   1.934
  224   2HD   LYS  30          1HD       LYS  30 -16.093  -5.766   0.287
  225   1HE   LYS  30          2HE       LYS  30 -17.097  -7.860   0.908
  226   2HE   LYS  30          1HE       LYS  30 -17.003  -7.461   2.623
  227   1HZ   LYS  30          1HZ       LYS  30 -18.440  -5.604   0.890
  228   2HZ   LYS  30          3HZ       LYS  30 -19.189  -7.091   1.217
  229   3HZ   LYS  30          2HZ       LYS  30 -18.758  -6.059   2.496
  230    H    ARG  31           H        ARG  31 -13.026  -4.097   2.836
  231    HA   ARG  31           HA       ARG  31 -10.363  -3.571   3.280
  232   1HB   ARG  31          2HB       ARG  31 -12.200  -3.227   4.945
  233   2HB   ARG  31          1HB       ARG  31 -12.161  -4.956   5.290
  234   1HG   ARG  31          2HG       ARG  31  -9.481  -3.917   5.399
  235   2HG   ARG  31          1HG       ARG  31 -10.527  -2.929   6.420
  236   1HD   ARG  31          2HD       ARG  31 -10.155  -5.932   6.546
  237   2HD   ARG  31          1HD       ARG  31  -9.715  -4.750   7.777
  238    HE   ARG  31           HE       ARG  31 -12.250  -4.296   7.913
  239   1HH1  ARG  31          2HH1      ARG  31 -10.704  -7.222   8.247
  240   2HH1  ARG  31          1HH1      ARG  31 -12.124  -8.205   8.112
  241   1HH2  ARG  31          1HH2      ARG  31 -14.172  -5.580   7.142
  242   2HH2  ARG  31          2HH2      ARG  31 -14.086  -7.275   7.488
  243    H    ASP  32           H        ASP  32  -8.502  -4.762   3.681
  244    HA   ASP  32           HA       ASP  32  -7.106  -6.646   3.840
  245   1HB   ASP  32          2HB       ASP  32  -8.870  -7.265   5.620
  246   2HB   ASP  32          1HB       ASP  32  -9.576  -8.299   4.377
  247    H    GLU  33           H        GLU  33  -7.839  -5.875   1.313
  248    HA   GLU  33           HA       GLU  33  -8.129  -8.509  -0.061
  249   1HB   GLU  33          2HB       GLU  33 -10.260  -7.103  -0.126
  250   2HB   GLU  33          1HB       GLU  33  -9.356  -5.947  -1.105
  251   1HG   GLU  33          2HG       GLU  33  -8.802  -8.410  -2.292
  252   2HG   GLU  33          1HG       GLU  33 -10.515  -8.510  -1.876
  253    H    LEU  34           H        LEU  34  -6.036  -8.728  -0.786
  254    HA   LEU  34           HA       LEU  34  -4.136  -6.834  -1.388
  255   1HB   LEU  34          2HB       LEU  34  -3.734  -9.269  -1.534
  256   2HB   LEU  34          1HB       LEU  34  -4.685  -9.331  -3.019
  257    HG   LEU  34           HG       LEU  34  -3.084  -7.626  -3.996
  258   1HD1  LEU  34          1HD1      LEU  34  -2.106  -7.746  -1.277
  259   2HD1  LEU  34          3HD1      LEU  34  -0.823  -8.194  -2.401
  260   3HD1  LEU  34          2HD1      LEU  34  -1.642  -6.642  -2.572
  261   1HD2  LEU  34          3HD2      LEU  34  -2.268 -10.407  -3.173
  262   2HD2  LEU  34          2HD2      LEU  34  -2.740  -9.818  -4.768
  263   3HD2  LEU  34          1HD2      LEU  34  -1.161  -9.397  -4.103
  264    H    ILE  35           H        ILE  35  -3.526  -5.672  -3.309
  265    HA   ILE  35           HA       ILE  35  -5.559  -5.548  -5.474
  266    HB   ILE  35           HB       ILE  35  -4.457  -2.996  -4.317
  267   1HG1  ILE  35          2HG1      ILE  35  -6.966  -4.460  -3.430
  268   2HG1  ILE  35          1HG1      ILE  35  -5.526  -4.192  -2.445
  269   1HG2  ILE  35          3HG2      ILE  35  -6.721  -3.844  -6.103
  270   2HG2  ILE  35          2HG2      ILE  35  -6.837  -2.328  -5.209
  271   3HG2  ILE  35          1HG2      ILE  35  -5.520  -2.577  -6.356
  272   1HD1  ILE  35          2HD1      ILE  35  -6.086  -1.647  -3.299
  273   2HD1  ILE  35          1HD1      ILE  35  -7.705  -2.328  -3.133
  274   3HD1  ILE  35          3HD1      ILE  35  -6.606  -2.316  -1.752
  275    H    VAL  36           H        VAL  36  -2.357  -4.552  -4.293
  276    HA   VAL  36           HA       VAL  36  -1.266  -5.056  -6.986
  277    HB   VAL  36           HB       VAL  36  -1.967  -2.649  -6.985
  278   1HG1  VAL  36          1HG1      VAL  36  -1.596  -2.272  -4.552
  279   2HG1  VAL  36          3HG1      VAL  36   0.143  -2.410  -4.817
  280   3HG1  VAL  36          2HG1      VAL  36  -0.758  -1.079  -5.544
  281   1HG2  VAL  36          3HG2      VAL  36   0.907  -3.505  -7.203
  282   2HG2  VAL  36          2HG2      VAL  36  -0.216  -3.044  -8.483
  283   3HG2  VAL  36          1HG2      VAL  36   0.489  -1.809  -7.440
  284    H    ASP  37           H        ASP  37   0.669  -6.072  -6.738
  285    HA   ASP  37           HA       ASP  37   1.878  -6.146  -4.044
  286   1HB   ASP  37          2HB       ASP  37   2.131  -7.753  -6.556
  287   2HB   ASP  37          1HB       ASP  37   3.489  -7.750  -5.430
  288    H    ILE  38           H        ILE  38   4.299  -5.893  -3.891
  289    HA   ILE  38           HA       ILE  38   5.388  -4.016  -5.934
  290    HB   ILE  38           HB       ILE  38   5.395  -3.602  -2.929
  291   1HG1  ILE  38          2HG1      ILE  38   4.388  -1.747  -5.095
  292   2HG1  ILE  38          1HG1      ILE  38   3.348  -2.967  -4.360
  293   1HG2  ILE  38          3HG2      ILE  38   6.898  -2.243  -5.171
  294   2HG2  ILE  38          2HG2      ILE  38   6.587  -1.435  -3.635
  295   3HG2  ILE  38          1HG2      ILE  38   7.546  -2.914  -3.675
  296   1HD1  ILE  38          2HD1      ILE  38   4.913  -0.991  -2.695
  297   2HD1  ILE  38          1HD1      ILE  38   3.296  -0.630  -3.298
  298   3HD1  ILE  38          3HD1      ILE  38   3.545  -1.989  -2.202
  299    H    GLU  39           H        GLU  39   7.710  -4.040  -6.054
  300    HA   GLU  39           HA       GLU  39   9.084  -6.096  -4.400
  301   1HB   GLU  39          2HB       GLU  39  10.259  -6.770  -6.632
  302   2HB   GLU  39          1HB       GLU  39   8.652  -7.415  -6.296
  303   1HG   GLU  39          2HG       GLU  39   7.700  -5.460  -7.593
  304   2HG   GLU  39          1HG       GLU  39   9.351  -5.069  -8.079
  305    H    THR  40           H        THR  40  11.130  -5.449  -3.825
  306    HA   THR  40           HA       THR  40  12.292  -3.119  -5.293
  307    HB   THR  40           HB       THR  40  11.246  -2.607  -2.989
  308    HG1  THR  40           HG1      THR  40  13.102  -1.531  -4.219
  309   1HG2  THR  40          3HG2      THR  40  12.201  -4.699  -1.944
  310   2HG2  THR  40          2HG2      THR  40  13.790  -3.937  -2.030
  311   3HG2  THR  40          1HG2      THR  40  12.519  -3.218  -1.040
  312    H    ASP  41           H        ASP  41  14.699  -3.023  -3.805
  313    HA   ASP  41           HA       ASP  41  16.403  -4.737  -5.109
  314   1HB   ASP  41          2HB       ASP  41  17.149  -2.911  -3.604
  315   2HB   ASP  41          1HB       ASP  41  16.696  -3.894  -2.212
  316    H    LYS  42           H        LYS  42  15.266  -5.398  -1.772
  317    HA   LYS  42           HA       LYS  42  14.962  -8.252  -2.480
  318   1HB   LYS  42          2HB       LYS  42  16.936  -7.207  -0.438
  319   2HB   LYS  42          1HB       LYS  42  16.331  -8.863  -0.405
  320   1HG   LYS  42          2HG       LYS  42  17.235  -9.330  -2.580
  321   2HG   LYS  42          1HG       LYS  42  17.611  -7.628  -2.854
  322   1HD   LYS  42          2HD       LYS  42  19.639  -7.949  -1.941
  323   2HD   LYS  42          1HD       LYS  42  18.864  -8.371  -0.413
  324   1HE   LYS  42          2HE       LYS  42  19.559 -10.254  -2.685
  325   2HE   LYS  42          1HE       LYS  42  20.267 -10.231  -1.069
  326   1HZ   LYS  42          3HZ       LYS  42  17.551 -10.409  -0.682
  327   2HZ   LYS  42          2HZ       LYS  42  17.875 -11.476  -1.964
  328   3HZ   LYS  42          1HZ       LYS  42  18.688 -11.650  -0.482
  329    H    VAL  43           H        VAL  43  12.957  -6.413  -1.862
  330    HA   VAL  43           HA       VAL  43  11.853  -7.646   0.570
  331    HB   VAL  43           HB       VAL  43  12.181  -4.637   0.365
  332   1HG1  VAL  43          3HG1      VAL  43  10.081  -5.422   1.462
  333   2HG1  VAL  43          2HG1      VAL  43  11.056  -6.365   2.589
  334   3HG1  VAL  43          1HG1      VAL  43  11.167  -4.605   2.587
  335   1HG2  VAL  43          1HG2      VAL  43  13.583  -6.767   1.989
  336   2HG2  VAL  43          3HG2      VAL  43  14.305  -5.518   0.974
  337   3HG2  VAL  43          2HG2      VAL  43  13.545  -5.082   2.505
  338    H    VAL  44           H        VAL  44   9.977  -8.362  -0.351
  339    HA   VAL  44           HA       VAL  44   8.547  -6.593  -2.260
  340    HB   VAL  44           HB       VAL  44   8.805  -8.892  -2.987
  341   1HG1  VAL  44          2HG1      VAL  44   7.960  -9.427  -0.182
  342   2HG1  VAL  44          1HG1      VAL  44   7.405 -10.565  -1.411
  343   3HG1  VAL  44          3HG1      VAL  44   9.131 -10.282  -1.187
  344   1HG2  VAL  44          3HG2      VAL  44   6.246  -7.652  -2.496
  345   2HG2  VAL  44          2HG2      VAL  44   6.736  -8.668  -3.852
  346   3HG2  VAL  44          1HG2      VAL  44   6.084  -9.405  -2.388
  347    H    MET  45           H        MET  45   6.537  -5.712  -1.786
  348    HA   MET  45           HA       MET  45   5.360  -6.381   0.877
  349   1HB   MET  45          2HB       MET  45   6.052  -3.685  -0.269
  350   2HB   MET  45          1HB       MET  45   4.719  -3.844   0.876
  351   1HG   MET  45          2HG       MET  45   6.801  -5.343   2.001
  352   2HG   MET  45          1HG       MET  45   7.581  -3.888   1.378
  353   1HE   MET  45          2HE       MET  45   7.223  -5.151   4.107
  354   2HE   MET  45          1HE       MET  45   7.910  -3.578   4.498
  355   3HE   MET  45          3HE       MET  45   6.441  -4.133   5.313
  356    H    GLU  46           H        GLU  46   3.164  -6.693   0.807
  357    HA   GLU  46           HA       GLU  46   1.849  -6.448  -1.826
  358   1HB   GLU  46          2HB       GLU  46   0.781  -7.555   0.790
  359   2HB   GLU  46          1HB       GLU  46   0.031  -7.726  -0.798
  360   1HG   GLU  46          2HG       GLU  46   1.699  -9.179  -1.576
  361   2HG   GLU  46          1HG       GLU  46   2.858  -8.655  -0.353
  362    H    VAL  47           H        VAL  47  -0.113  -5.236  -2.116
  363    HA   VAL  47           HA       VAL  47  -0.576  -3.158  -0.012
  364    HB   VAL  47           HB       VAL  47  -0.673  -2.860  -3.030
  365   1HG1  VAL  47          1HG1      VAL  47  -1.910  -1.343  -0.854
  366   2HG1  VAL  47          3HG1      VAL  47  -0.862  -0.347  -1.864
  367   3HG1  VAL  47          2HG1      VAL  47  -2.193  -1.244  -2.592
  368   1HG2  VAL  47          3HG2      VAL  47   1.537  -2.821  -1.510
  369   2HG2  VAL  47          2HG2      VAL  47   1.326  -1.715  -2.868
  370   3HG2  VAL  47          1HG2      VAL  47   0.998  -1.167  -1.225
  371    H    LEU  48           H        LEU  48  -2.463  -3.899   0.917
  372    HA   LEU  48           HA       LEU  48  -4.652  -4.786  -0.881
  373   1HB   LEU  48          2HB       LEU  48  -5.578  -5.219   1.644
  374   2HB   LEU  48          1HB       LEU  48  -4.699  -6.416   0.705
  375    HG   LEU  48           HG       LEU  48  -2.574  -5.572   1.730
  376   1HD1  LEU  48          1HD1      LEU  48  -4.224  -3.433   2.494
  377   2HD1  LEU  48          3HD1      LEU  48  -3.868  -4.289   3.994
  378   3HD1  LEU  48          2HD1      LEU  48  -2.550  -3.695   2.983
  379   1HD2  LEU  48          1HD2      LEU  48  -4.789  -6.580   3.536
  380   2HD2  LEU  48          3HD2      LEU  48  -3.559  -7.536   2.706
  381   3HD2  LEU  48          2HD2      LEU  48  -3.103  -6.483   4.047
  382    H    ALA  49           H        ALA  49  -6.904  -4.077  -0.023
  383    HA   ALA  49           HA       ALA  49  -6.845  -1.146   0.209
  384   1HB   ALA  49          2HB       ALA  49  -8.780  -3.192  -0.603
  385   2HB   ALA  49          1HB       ALA  49  -9.498  -1.928   0.394
  386   3HB   ALA  49          3HB       ALA  49  -8.659  -1.504  -1.099
  387    H    GLU  50           H        GLU  50  -7.282  -0.014   2.069
  388    HA   GLU  50           HA       GLU  50  -7.501  -1.545   4.569
  389   1HB   GLU  50          2HB       GLU  50  -6.447   0.975   3.822
  390   2HB   GLU  50          1HB       GLU  50  -7.779   1.303   4.932
  391   1HG   GLU  50          2HG       GLU  50  -5.824  -0.871   5.603
  392   2HG   GLU  50          1HG       GLU  50  -5.369   0.810   5.883
  393    H    ALA  51           H        ALA  51  -9.738  -0.937   2.384
  394    HA   ALA  51           HA       ALA  51 -11.974  -1.250   4.063
  395   1HB   ALA  51          2HB       ALA  51 -11.321   1.636   3.424
  396   2HB   ALA  51          1HB       ALA  51 -12.939   1.102   3.880
  397   3HB   ALA  51          3HB       ALA  51 -11.597   0.920   5.011
  398    H    ASP  52           H        ASP  52 -13.975  -1.206   2.840
  399    HA   ASP  52           HA       ASP  52 -13.606  -1.773   0.036
  400   1HB   ASP  52          2HB       ASP  52 -15.415  -2.939   0.842
  401   2HB   ASP  52          1HB       ASP  52 -15.914  -1.649   1.930
  402    H    GLY  53           H        GLY  53 -15.046  -0.600  -1.624
  403   1HA   GLY  53          2HA       GLY  53 -16.118   1.859  -1.674
  404   2HA   GLY  53          1HA       GLY  53 -14.422   2.289  -1.425
  405    H    VAL  54           H        VAL  54 -14.124   3.246  -3.472
  406    HA   VAL  54           HA       VAL  54 -14.003   1.296  -5.719
  407    HB   VAL  54           HB       VAL  54 -15.328   4.018  -5.762
  408   1HG1  VAL  54          3HG1      VAL  54 -14.201   2.325  -7.979
  409   2HG1  VAL  54          2HG1      VAL  54 -15.612   3.341  -8.271
  410   3HG1  VAL  54          1HG1      VAL  54 -14.092   4.070  -7.754
  411   1HG2  VAL  54          1HG2      VAL  54 -16.605   1.899  -5.105
  412   2HG2  VAL  54          3HG2      VAL  54 -17.272   2.810  -6.459
  413   3HG2  VAL  54          2HG2      VAL  54 -16.338   1.344  -6.758
  414    H    ILE  55           H        ILE  55 -12.027   1.393  -6.671
  415    HA   ILE  55           HA       ILE  55 -10.096   3.400  -5.840
  416    HB   ILE  55           HB       ILE  55  -9.576   1.689  -8.231
  417   1HG1  ILE  55          2HG1      ILE  55 -10.777   0.067  -6.958
  418   2HG1  ILE  55          1HG1      ILE  55  -9.081  -0.219  -6.585
  419   1HG2  ILE  55          1HG2      ILE  55  -8.061   3.241  -6.526
  420   2HG2  ILE  55          3HG2      ILE  55  -7.800   1.616  -5.891
  421   3HG2  ILE  55          2HG2      ILE  55  -7.425   1.975  -7.577
  422   1HD1  ILE  55          3HD1      ILE  55  -9.809   1.687  -4.713
  423   2HD1  ILE  55          2HD1      ILE  55 -11.243   0.667  -4.822
  424   3HD1  ILE  55          1HD1      ILE  55  -9.682  -0.045  -4.412
  425    H    ALA  56           H        ALA  56  -8.781   4.547  -7.660
  426    HA   ALA  56           HA       ALA  56 -10.763   5.842  -9.476
  427   1HB   ALA  56          3HB       ALA  56  -9.414   7.221  -7.795
  428   2HB   ALA  56          2HB       ALA  56  -7.999   6.860  -8.784
  429   3HB   ALA  56          1HB       ALA  56  -9.346   7.766  -9.471
  430    H    GLU  57           H        GLU  57  -7.246   5.139  -9.561
  431    HA   GLU  57           HA       GLU  57  -7.355   3.482 -11.876
  432   1HB   GLU  57          2HB       GLU  57  -7.841   6.172 -12.493
  433   2HB   GLU  57          1HB       GLU  57  -6.144   5.918 -12.907
  434   1HG   GLU  57          2HG       GLU  57  -7.570   3.624 -13.792
  435   2HG   GLU  57          1HG       GLU  57  -8.476   5.038 -14.331
  436    H    ILE  58           H        ILE  58  -5.168   2.993 -12.681
  437    HA   ILE  58           HA       ILE  58  -3.142   3.484 -10.573
  438    HB   ILE  58           HB       ILE  58  -2.820   1.725 -13.010
  439   1HG1  ILE  58          2HG1      ILE  58  -3.508   0.144 -10.772
  440   2HG1  ILE  58          1HG1      ILE  58  -4.705   1.442 -10.830
  441   1HG2  ILE  58          3HG2      ILE  58  -1.623   1.764 -10.224
  442   2HG2  ILE  58          2HG2      ILE  58  -1.338   0.485 -11.405
  443   3HG2  ILE  58          1HG2      ILE  58  -0.792   2.130 -11.736
  444   1HD1  ILE  58          1HD1      ILE  58  -4.038   0.230 -13.446
  445   2HD1  ILE  58          3HD1      ILE  58  -4.874  -0.836 -12.317
  446   3HD1  ILE  58          2HD1      ILE  58  -5.606   0.698 -12.788
  447    H    VAL  59           H        VAL  59  -1.131   4.467 -11.026
  448    HA   VAL  59           HA       VAL  59  -1.149   6.239 -13.389
  449    HB   VAL  59           HB       VAL  59   0.632   6.052 -10.947
  450   1HG1  VAL  59          1HG1      VAL  59   0.916   7.627 -13.494
  451   2HG1  VAL  59          3HG1      VAL  59   1.489   8.307 -11.972
  452   3HG1  VAL  59          2HG1      VAL  59   2.157   6.786 -12.566
  453   1HG2  VAL  59          1HG2      VAL  59  -1.835   7.283 -11.407
  454   2HG2  VAL  59          3HG2      VAL  59  -0.720   7.650 -10.091
  455   3HG2  VAL  59          2HG2      VAL  59  -0.664   8.590 -11.582
  456    H    LYS  60           H        LYS  60   1.109   3.898 -11.886
  457    HA   LYS  60           HA       LYS  60   2.408   3.615 -14.562
  458   1HB   LYS  60          2HB       LYS  60   3.518   4.018 -12.023
  459   2HB   LYS  60          1HB       LYS  60   3.791   2.308 -12.362
  460   1HG   LYS  60          2HG       LYS  60   5.666   3.583 -13.241
  461   2HG   LYS  60          1HG       LYS  60   4.725   2.952 -14.594
  462   1HD   LYS  60          2HD       LYS  60   3.463   5.208 -14.517
  463   2HD   LYS  60          1HD       LYS  60   4.808   5.772 -13.525
  464   1HE   LYS  60          2HE       LYS  60   5.603   6.325 -15.630
  465   2HE   LYS  60          1HE       LYS  60   6.256   4.694 -15.473
  466   1HZ   LYS  60          3HZ       LYS  60   3.563   5.048 -16.584
  467   2HZ   LYS  60          2HZ       LYS  60   4.905   5.378 -17.573
  468   3HZ   LYS  60          1HZ       LYS  60   4.704   3.834 -16.893
  469    H    ASN  61           H        ASN  61   2.971   1.410 -15.234
  470    HA   ASN  61           HA       ASN  61   0.870  -0.507 -14.446
  471   1HB   ASN  61          2HB       ASN  61   2.934  -0.418 -16.647
  472   2HB   ASN  61          1HB       ASN  61   2.028  -1.891 -16.303
  473   1HD2  ASN  61          2HD2      ASN  61   0.206   1.176 -18.239
  474   2HD2  ASN  61          1HD2      ASN  61   1.839   1.277 -17.752
  475    H    GLU  62           H        GLU  62   1.420  -2.712 -13.801
  476    HA   GLU  62           HA       GLU  62   3.421  -2.850 -11.775
  477   1HB   GLU  62          2HB       GLU  62   3.003  -5.330 -11.878
  478   2HB   GLU  62          1HB       GLU  62   1.532  -4.369 -11.725
  479   1HG   GLU  62          2HG       GLU  62   0.855  -5.672 -13.484
  480   2HG   GLU  62          1HG       GLU  62   1.729  -4.454 -14.419
  481    H    GLY  63           H        GLY  63   5.501  -3.785 -11.787
  482   1HA   GLY  63          2HA       GLY  63   7.361  -4.928 -12.813
  483   2HA   GLY  63          1HA       GLY  63   6.564  -4.758 -14.381
  484    H    ASP  64           H        ASP  64   6.062  -1.822 -13.289
  485    HA   ASP  64           HA       ASP  64   8.484  -0.756 -14.593
  486   1HB   ASP  64          2HB       ASP  64   6.698   0.443 -15.405
  487   2HB   ASP  64          1HB       ASP  64   5.768   0.289 -13.914
  488    H    THR  65           H        THR  65   9.421   1.284 -13.516
  489    HA   THR  65           HA       THR  65   9.789   0.702 -10.604
  490    HB   THR  65           HB       THR  65  11.680   2.127 -12.501
  491    HG1  THR  65           HG1      THR  65  11.361  -0.177 -12.824
  492   1HG2  THR  65          1HG2      THR  65  11.547   2.372  -9.795
  493   2HG2  THR  65          3HG2      THR  65  12.608   0.971  -9.942
  494   3HG2  THR  65          2HG2      THR  65  13.047   2.494 -10.716
  495    H    VAL  66           H        VAL  66   9.726   2.465  -9.145
  496    HA   VAL  66           HA       VAL  66   8.853   5.074 -10.313
  497    HB   VAL  66           HB       VAL  66   7.295   5.307  -8.379
  498   1HG1  VAL  66          1HG1      VAL  66   6.707   4.250 -10.675
  499   2HG1  VAL  66          3HG1      VAL  66   6.692   2.717  -9.804
  500   3HG1  VAL  66          2HG1      VAL  66   5.578   4.004  -9.342
  501   1HG2  VAL  66          2HG2      VAL  66   8.750   2.999  -7.492
  502   2HG2  VAL  66          1HG2      VAL  66   7.508   3.906  -6.627
  503   3HG2  VAL  66          3HG2      VAL  66   7.052   2.554  -7.664
  504    H    LEU  67           H        LEU  67   8.823   6.693  -8.208
  505    HA   LEU  67           HA       LEU  67  11.517   6.347  -6.954
  506   1HB   LEU  67          2HB       LEU  67  10.093   8.764  -8.042
  507   2HB   LEU  67          1HB       LEU  67  11.312   8.951  -6.780
  508    HG   LEU  67           HG       LEU  67  12.727   7.372  -8.371
  509   1HD1  LEU  67          3HD1      LEU  67  10.762   7.105  -9.937
  510   2HD1  LEU  67          2HD1      LEU  67  10.928   8.814 -10.339
  511   3HD1  LEU  67          1HD1      LEU  67  12.234   7.689 -10.716
  512   1HD2  LEU  67          2HD2      LEU  67  12.227  10.318  -8.915
  513   2HD2  LEU  67          1HD2      LEU  67  13.350   9.663  -7.723
  514   3HD2  LEU  67          3HD2      LEU  67  13.647   9.414  -9.444
  515    H    SER  68           H        SER  68  11.636   7.782  -4.861
  516    HA   SER  68           HA       SER  68   9.718   6.760  -2.997
  517   1HB   SER  68          2HB       SER  68  12.168   7.810  -2.701
  518   2HB   SER  68          1HB       SER  68  11.224   9.250  -2.332
  519    HG   SER  68           HG       SER  68   9.994   7.695  -0.922
  520    H    GLY  69           H        GLY  69   7.695   7.494  -2.561
  521   1HA   GLY  69          2HA       GLY  69   6.007   9.126  -2.141
  522   2HA   GLY  69          1HA       GLY  69   7.082  10.368  -2.785
  523    H    GLU  70           H        GLU  70   6.733   7.499  -4.671
  524    HA   GLU  70           HA       GLU  70   5.484   9.052  -6.821
  525   1HB   GLU  70          2HB       GLU  70   7.266   7.398  -7.305
  526   2HB   GLU  70          1HB       GLU  70   6.222   6.111  -6.701
  527   1HG   GLU  70          2HG       GLU  70   5.553   5.937  -8.868
  528   2HG   GLU  70          1HG       GLU  70   4.564   7.349  -8.495
  529    H    LEU  71           H        LEU  71   3.306   9.349  -6.757
  530    HA   LEU  71           HA       LEU  71   1.557   7.512  -5.312
  531   1HB   LEU  71          2HB       LEU  71   1.146   9.980  -5.455
  532   2HB   LEU  71          1HB       LEU  71   0.810   9.785  -7.175
  533    HG   LEU  71           HG       LEU  71  -0.657   8.153  -5.106
  534   1HD1  LEU  71          3HD1      LEU  71  -0.796  10.750  -4.808
  535   2HD1  LEU  71          2HD1      LEU  71  -1.775  10.691  -6.275
  536   3HD1  LEU  71          1HD1      LEU  71  -2.290   9.813  -4.835
  537   1HD2  LEU  71          3HD2      LEU  71  -0.700   8.532  -8.002
  538   2HD2  LEU  71          2HD2      LEU  71  -1.442   7.260  -7.031
  539   3HD2  LEU  71          1HD2      LEU  71  -2.289   8.787  -7.281
  540    H    LEU  72           H        LEU  72   0.546   5.759  -6.176
  541    HA   LEU  72           HA       LEU  72   0.806   5.313  -9.101
  542   1HB   LEU  72          2HB       LEU  72  -0.161   3.387  -6.967
  543   2HB   LEU  72          1HB       LEU  72   0.313   2.989  -8.619
  544    HG   LEU  72           HG       LEU  72   2.248   4.364  -6.765
  545   1HD1  LEU  72          1HD1      LEU  72   1.296   2.240  -5.715
  546   2HD1  LEU  72          3HD1      LEU  72   2.011   1.363  -7.067
  547   3HD1  LEU  72          2HD1      LEU  72   3.044   2.259  -5.952
  548   1HD2  LEU  72          2HD2      LEU  72   2.307   2.856  -9.351
  549   2HD2  LEU  72          1HD2      LEU  72   3.171   4.323  -8.891
  550   3HD2  LEU  72          3HD2      LEU  72   3.721   2.755  -8.300
  551    H    GLY  73           H        GLY  73  -1.748   4.451  -6.746
  552   1HA   GLY  73          2HA       GLY  73  -3.725   5.648  -8.645
  553   2HA   GLY  73          1HA       GLY  73  -4.008   4.070  -7.900
  554    H    LYS  74           H        LYS  74  -5.822   6.181  -7.533
  555    HA   LYS  74           HA       LYS  74  -5.394   6.787  -4.635
  556   1HB   LYS  74          2HB       LYS  74  -6.545   8.916  -4.947
  557   2HB   LYS  74          1HB       LYS  74  -5.188   8.825  -6.071
  558   1HG   LYS  74          2HG       LYS  74  -6.616   8.317  -7.912
  559   2HG   LYS  74          1HG       LYS  74  -7.985   7.983  -6.851
  560   1HD   LYS  74          2HD       LYS  74  -6.959  10.649  -6.369
  561   2HD   LYS  74          1HD       LYS  74  -7.361  10.440  -8.074
  562   1HE   LYS  74          2HE       LYS  74  -9.608  10.002  -7.630
  563   2HE   LYS  74          1HE       LYS  74  -9.282   9.467  -5.980
  564   1HZ   LYS  74          3HZ       LYS  74  -8.839  12.261  -6.849
  565   2HZ   LYS  74          2HZ       LYS  74 -10.337  11.728  -6.250
  566   3HZ   LYS  74          1HZ       LYS  74  -8.953  11.659  -5.267
  567    H    LEU  75           H        LEU  75  -7.267   6.620  -3.319
  568    HA   LEU  75           HA       LEU  75  -9.390   4.920  -4.478
  569   1HB   LEU  75          2HB       LEU  75  -8.269   4.432  -2.245
  570   2HB   LEU  75          1HB       LEU  75  -9.114   5.843  -1.607
  571    HG   LEU  75           HG       LEU  75 -10.822   3.963  -3.113
  572   1HD1  LEU  75          2HD1      LEU  75  -9.221   3.130  -0.729
  573   2HD1  LEU  75          1HD1      LEU  75 -10.904   2.611  -0.817
  574   3HD1  LEU  75          3HD1      LEU  75  -9.775   2.167  -2.098
  575   1HD2  LEU  75          1HD2      LEU  75 -11.017   5.989  -1.101
  576   2HD2  LEU  75          3HD2      LEU  75 -12.327   5.145  -1.926
  577   3HD2  LEU  75          2HD2      LEU  75 -11.661   4.491  -0.430
  578    H    THR  76           H        THR  76 -11.700   5.459  -3.825
  579    HA   THR  76           HA       THR  76 -12.192   8.313  -4.411
  580    HB   THR  76           HB       THR  76 -13.423   6.291  -5.478
  581    HG1  THR  76           HG1      THR  76 -15.223   7.574  -5.720
  582   1HG2  THR  76          1HG2      THR  76 -13.933   5.483  -3.012
  583   2HG2  THR  76          3HG2      THR  76 -15.306   6.576  -3.177
  584   3HG2  THR  76          2HG2      THR  76 -15.111   5.232  -4.301
  585    H    GLU  77           H        GLU  77 -14.704   8.463  -3.131
  586    HA   GLU  77           HA       GLU  77 -13.821   9.241  -0.452
  587   1HB   GLU  77          2HB       GLU  77 -16.426   9.429  -1.961
  588   2HB   GLU  77          1HB       GLU  77 -16.344   9.809  -0.239
  589   1HG   GLU  77          2HG       GLU  77 -14.221  11.045  -1.881
  590   2HG   GLU  77          1HG       GLU  77 -15.852  11.619  -2.227
  591    H    GLY  78           H        GLY  78 -15.057   8.511   1.505
  592   1HA   GLY  78          2HA       GLY  78 -16.169   5.759   1.215
  593   2HA   GLY  78          1HA       GLY  78 -14.891   6.058   2.395
  594    H    GLY  79           HN       GLY  79 -15.534   6.662   4.412
  595   1HA   GLY  79          2HA       GLY  79 -16.892   8.023   5.912
  596   2HA   GLY  79          1HA       GLY  79 -18.190   7.977   4.717
   
  No H/Q in entry =         596
  Start of MODEL   11
    1   1H    ALA   1          3H        ALA   1 -10.633  11.082   1.410
    2   2H    ALA   1          2H        ALA   1 -11.009  11.796  -0.085
    3   3H    ALA   1          1H        ALA   1 -12.157  10.826   0.709
    4    HA   ALA   1           HA       ALA   1 -11.344   8.958  -0.140
    5   1HB   ALA   1          2HB       ALA   1 -10.607  11.133  -1.838
    6   2HB   ALA   1          1HB       ALA   1  -9.297   9.953  -1.874
    7   3HB   ALA   1          3HB       ALA   1 -10.939   9.463  -2.295
    8    H    ILE   2           H        ILE   2  -8.839   8.145  -1.069
    9    HA   ILE   2           HA       ILE   2  -6.951   8.686   1.162
   10    HB   ILE   2           HB       ILE   2  -7.563   5.858   0.290
   11   1HG1  ILE   2          2HG1      ILE   2  -8.681   7.254   2.737
   12   2HG1  ILE   2          1HG1      ILE   2  -9.601   7.031   1.249
   13   1HG2  ILE   2          2HG2      ILE   2  -5.409   6.602   1.531
   14   2HG2  ILE   2          1HG2      ILE   2  -6.463   6.833   2.926
   15   3HG2  ILE   2          3HG2      ILE   2  -6.308   5.237   2.192
   16   1HD1  ILE   2          2HD1      ILE   2  -8.737   4.505   1.592
   17   2HD1  ILE   2          1HD1      ILE   2  -8.765   5.021   3.278
   18   3HD1  ILE   2          3HD1      ILE   2 -10.237   5.096   2.309
   19    H    ASP   3           H        ASP   3  -5.302   9.516  -0.076
   20    HA   ASP   3           HA       ASP   3  -4.697   8.628  -2.746
   21   1HB   ASP   3          2HB       ASP   3  -4.063  10.864  -1.689
   22   2HB   ASP   3          1HB       ASP   3  -2.773   9.995  -0.850
   23    H    ILE   4           H        ILE   4  -3.608   6.820  -3.352
   24    HA   ILE   4           HA       ILE   4  -2.116   5.327  -1.244
   25    HB   ILE   4           HB       ILE   4  -2.791   4.182  -3.938
   26   1HG1  ILE   4          2HG1      ILE   4  -4.879   5.224  -3.151
   27   2HG1  ILE   4          1HG1      ILE   4  -4.986   3.468  -3.028
   28   1HG2  ILE   4          2HG2      ILE   4  -2.261   3.201  -1.147
   29   2HG2  ILE   4          1HG2      ILE   4  -3.191   2.196  -2.259
   30   3HG2  ILE   4          3HG2      ILE   4  -1.542   2.670  -2.668
   31   1HD1  ILE   4          3HD1      ILE   4  -3.981   3.989  -0.591
   32   2HD1  ILE   4          2HD1      ILE   4  -4.824   5.513  -0.868
   33   3HD1  ILE   4          1HD1      ILE   4  -5.715   3.992  -0.912
   34    H    LYS   5           H        LYS   5   0.066   5.495  -1.329
   35    HA   LYS   5           HA       LYS   5   1.362   5.732  -4.004
   36   1HB   LYS   5          2HB       LYS   5   3.028   7.306  -2.718
   37   2HB   LYS   5          1HB       LYS   5   1.519   7.970  -3.344
   38   1HG   LYS   5          2HG       LYS   5   0.576   8.172  -1.251
   39   2HG   LYS   5          1HG       LYS   5   1.465   6.793  -0.602
   40   1HD   LYS   5          2HD       LYS   5   2.626   8.488   0.444
   41   2HD   LYS   5          1HD       LYS   5   3.547   8.411  -1.059
   42   1HE   LYS   5          2HE       LYS   5   2.967  10.736  -0.583
   43   2HE   LYS   5          1HE       LYS   5   2.086  10.190  -2.011
   44   1HZ   LYS   5          2HZ       LYS   5   0.720   9.704   0.481
   45   2HZ   LYS   5          1HZ       LYS   5   0.960  11.352   0.139
   46   3HZ   LYS   5          3HZ       LYS   5   0.134  10.369  -0.969
   47    H    ALA   6           H        ALA   6   3.884   5.466  -3.606
   48    HA   ALA   6           HA       ALA   6   4.194   2.911  -2.212
   49   1HB   ALA   6          1HB       ALA   6   5.343   3.802  -4.432
   50   2HB   ALA   6          3HB       ALA   6   6.525   4.451  -3.295
   51   3HB   ALA   6          2HB       ALA   6   6.210   2.716  -3.346
   52    HA   PRO   7           HA       PRO   7   5.839   4.499   1.534
   53   1HB   PRO   7          2HB       PRO   7   7.475   2.402   2.233
   54   2HB   PRO   7          1HB       PRO   7   5.707   2.347   2.354
   55   1HG   PRO   7          2HG       PRO   7   7.493   1.045   0.351
   56   2HG   PRO   7          1HG       PRO   7   5.883   0.557   0.903
   57   1HD   PRO   7          2HD       PRO   7   6.471   1.877  -1.532
   58   2HD   PRO   7          1HD       PRO   7   4.857   1.678  -0.813
   59    H    THR   8           H        THR   8   7.821   5.349   2.491
   60    HA   THR   8           HA       THR   8   9.750   6.284   0.563
   61    HB   THR   8           HB       THR   8   9.837   6.291   3.597
   62    HG1  THR   8           HG1      THR   8   8.147   7.460   2.323
   63   1HG2  THR   8          2HG2      THR   8  11.824   6.967   1.625
   64   2HG2  THR   8          1HG2      THR   8  11.313   8.428   2.471
   65   3HG2  THR   8          3HG2      THR   8  11.939   7.054   3.383
   66    H    PHE   9           H        PHE   9  11.387   5.087  -0.265
   67    HA   PHE   9           HA       PHE   9  12.147   2.536   0.896
   68   1HB   PHE   9          2HB       PHE   9  13.586   4.128  -1.249
   69   2HB   PHE   9          1HB       PHE   9  13.730   2.395  -0.938
   70    HD1  PHE   9           HD1      PHE   9  11.173   1.296  -0.686
   71    HD2  PHE   9           HD2      PHE   9  12.346   4.612  -3.156
   72    HE1  PHE   9           HE1      PHE   9   9.241   0.866  -2.181
   73    HE2  PHE   9           HE2      PHE   9  10.414   4.182  -4.651
   74    HZ   PHE   9           HZ       PHE   9   8.860   2.309  -4.163
   75    HA   PRO  10           HA       PRO  10  15.378   3.916   3.529
   76   1HB   PRO  10          2HB       PRO  10  16.909   1.633   3.553
   77   2HB   PRO  10          1HB       PRO  10  15.372   1.791   4.422
   78   1HG   PRO  10          2HG       PRO  10  15.962   0.298   1.908
   79   2HG   PRO  10          1HG       PRO  10  14.703   0.003   3.120
   80   1HD   PRO  10          2HD       PRO  10  14.327   1.260   0.611
   81   2HD   PRO  10          1HD       PRO  10  13.169   1.252   1.961
   82    H    GLU  11           H        GLU  11  18.017   3.562   3.543
   83    HA   GLU  11           HA       GLU  11  18.949   4.974   1.187
   84   1HB   GLU  11          2HB       GLU  11  20.088   4.079   3.771
   85   2HB   GLU  11          1HB       GLU  11  21.240   4.201   2.440
   86   1HG   GLU  11          2HG       GLU  11  21.324   6.396   3.064
   87   2HG   GLU  11          1HG       GLU  11  19.856   6.513   2.093
   88    H    SER  12           H        SER  12  19.580   1.708   2.503
   89    HA   SER  12           HA       SER  12  21.331   0.684   0.644
   90   1HB   SER  12          2HB       SER  12  19.728  -0.422   2.576
   91   2HB   SER  12          1HB       SER  12  19.036  -1.110   1.106
   92    HG   SER  12           HG       SER  12  20.944  -2.044   0.637
   93    H    ILE  13           H        ILE  13  17.967   1.521   0.118
   94    HA   ILE  13           HA       ILE  13  18.289   0.681  -2.737
   95    HB   ILE  13           HB       ILE  13  15.752   0.784  -1.074
   96   1HG1  ILE  13          2HG1      ILE  13  16.460  -1.749  -2.325
   97   2HG1  ILE  13          1HG1      ILE  13  17.734  -1.194  -1.238
   98   1HG2  ILE  13          2HG2      ILE  13  16.315   0.439  -3.993
   99   2HG2  ILE  13          1HG2      ILE  13  15.018  -0.520  -3.280
  100   3HG2  ILE  13          3HG2      ILE  13  14.958   1.241  -3.200
  101   1HD1  ILE  13          1HD1      ILE  13  14.919  -0.975  -0.273
  102   2HD1  ILE  13          3HD1      ILE  13  15.630  -2.588  -0.342
  103   3HD1  ILE  13          2HD1      ILE  13  16.392  -1.329   0.631
  104    H    ALA  14           H        ALA  14  17.580   2.175  -4.310
  105    HA   ALA  14           HA       ALA  14  16.956   4.898  -3.240
  106   1HB   ALA  14          3HB       ALA  14  18.864   3.947  -5.233
  107   2HB   ALA  14          2HB       ALA  14  17.811   5.206  -5.878
  108   3HB   ALA  14          1HB       ALA  14  18.773   5.516  -4.433
  109    H    ASP  15           H        ASP  15  15.492   2.314  -4.640
  110    HA   ASP  15           HA       ASP  15  13.143   3.752  -5.387
  111   1HB   ASP  15          2HB       ASP  15  13.392   3.042  -7.920
  112   2HB   ASP  15          1HB       ASP  15  14.082   4.565  -7.357
  113    H    GLY  16           H        GLY  16  11.912   2.087  -7.142
  114   1HA   GLY  16          2HA       GLY  16  12.496  -0.715  -6.478
  115   2HA   GLY  16          1HA       GLY  16  11.004  -0.087  -5.774
  116    H    THR  17           H        THR  17  10.098  -1.860  -7.234
  117    HA   THR  17           HA       THR  17   9.278  -0.606  -9.786
  118    HB   THR  17           HB       THR  17  10.379  -3.430  -9.693
  119    HG1  THR  17           HG1      THR  17  11.508  -0.957 -10.441
  120   1HG2  THR  17          3HG2      THR  17   8.567  -2.489 -11.414
  121   2HG2  THR  17          2HG2      THR  17  10.010  -1.833 -12.187
  122   3HG2  THR  17          1HG2      THR  17   9.858  -3.572 -11.933
  123    H    VAL  18           H        VAL  18   7.122  -0.957 -10.105
  124    HA   VAL  18           HA       VAL  18   5.395  -2.058  -8.241
  125    HB   VAL  18           HB       VAL  18   5.018  -2.200 -11.249
  126   1HG1  VAL  18          2HG1      VAL  18   3.072  -2.173  -8.922
  127   2HG1  VAL  18          1HG1      VAL  18   2.602  -2.012 -10.614
  128   3HG1  VAL  18          3HG1      VAL  18   3.350  -3.504 -10.044
  129   1HG2  VAL  18          2HG2      VAL  18   5.554   0.057  -9.792
  130   2HG2  VAL  18          1HG2      VAL  18   4.575   0.037 -11.259
  131   3HG2  VAL  18          3HG2      VAL  18   3.795  -0.014  -9.678
  132    H    ALA  19           H        ALA  19   4.099  -4.127  -8.399
  133    HA   ALA  19           HA       ALA  19   5.893  -6.374  -9.228
  134   1HB   ALA  19          2HB       ALA  19   5.440  -6.149  -6.761
  135   2HB   ALA  19          1HB       ALA  19   3.732  -6.424  -7.103
  136   3HB   ALA  19          3HB       ALA  19   4.912  -7.688  -7.443
  137    H    THR  20           H        THR  20   2.417  -6.169  -8.424
  138    HA   THR  20           HA       THR  20   1.644  -6.752 -11.185
  139    HB   THR  20           HB       THR  20   1.361  -8.856  -9.019
  140    HG1  THR  20           HG1      THR  20   2.904  -9.803 -10.070
  141   1HG2  THR  20          3HG2      THR  20   0.143  -8.697 -11.789
  142   2HG2  THR  20          2HG2      THR  20   0.147 -10.145 -10.782
  143   3HG2  THR  20          1HG2      THR  20  -0.728  -8.707 -10.255
  144    H    TRP  21           H        TRP  21  -0.389  -5.925 -11.506
  145    HA   TRP  21           HA       TRP  21  -1.836  -4.894  -9.161
  146   1HB   TRP  21          2HB       TRP  21  -1.857  -4.443 -12.111
  147   2HB   TRP  21          1HB       TRP  21  -3.348  -4.133 -11.225
  148    HD1  TRP  21           HD1      TRP  21   0.079  -2.745 -11.863
  149    HE1  TRP  21           HE1      TRP  21   0.370  -0.530 -10.562
  150    HE3  TRP  21           HE3      TRP  21  -4.092  -2.875  -8.918
  151    HZ2  TRP  21           HZ2      TRP  21  -0.960   0.966  -8.571
  152    HZ3  TRP  21           HZ3      TRP  21  -4.558  -1.032  -7.320
  153    HH2  TRP  21           HH2      TRP  21  -2.996   0.891  -7.143
  154    H    HIS  22           H        HIS  22  -2.483  -7.047  -8.374
  155    HA   HIS  22           HA       HIS  22  -3.854  -9.058  -9.708
  156   1HB   HIS  22          2HB       HIS  22  -5.099  -8.115  -7.146
  157   2HB   HIS  22          1HB       HIS  22  -4.710  -9.759  -7.665
  158    HD1  HIS  22           HD1      HIS  22  -3.106  -6.635  -6.300
  159    HD2  HIS  22           HD2      HIS  22  -2.107 -10.620  -6.992
  160    HE1  HIS  22           HE1      HIS  22  -0.817  -6.976  -5.310
  161    H    LYS  23           H        LYS  23  -5.565  -6.314  -8.152
  162    HA   LYS  23           HA       LYS  23  -7.842  -6.805  -9.994
  163   1HB   LYS  23          2HB       LYS  23  -7.787  -4.744  -7.794
  164   2HB   LYS  23          1HB       LYS  23  -9.177  -5.587  -8.481
  165   1HG   LYS  23          2HG       LYS  23  -8.143  -7.740  -7.563
  166   2HG   LYS  23          1HG       LYS  23  -7.049  -6.703  -6.645
  167   1HD   LYS  23          2HD       LYS  23  -8.662  -6.605  -5.068
  168   2HD   LYS  23          1HD       LYS  23  -9.565  -5.589  -6.193
  169   1HE   LYS  23          2HE       LYS  23 -11.032  -7.247  -6.702
  170   2HE   LYS  23          1HE       LYS  23  -9.767  -8.476  -6.751
  171   1HZ   LYS  23          2HZ       LYS  23  -9.809  -7.924  -4.156
  172   2HZ   LYS  23          1HZ       LYS  23 -11.436  -7.615  -4.534
  173   3HZ   LYS  23          3HZ       LYS  23 -10.764  -9.138  -4.862
  174    H    LYS  24           H        LYS  24  -8.960  -4.462 -10.473
  175    HA   LYS  24           HA       LYS  24  -6.789  -2.767 -11.647
  176   1HB   LYS  24          2HB       LYS  24  -9.035  -4.088 -12.901
  177   2HB   LYS  24          1HB       LYS  24  -9.169  -2.341 -13.104
  178   1HG   LYS  24          2HG       LYS  24  -7.761  -2.704 -14.865
  179   2HG   LYS  24          1HG       LYS  24  -6.521  -2.684 -13.611
  180   1HD   LYS  24          2HD       LYS  24  -7.846  -5.293 -13.949
  181   2HD   LYS  24          1HD       LYS  24  -6.928  -4.763 -15.358
  182   1HE   LYS  24          2HE       LYS  24  -5.003  -4.265 -13.776
  183   2HE   LYS  24          1HE       LYS  24  -5.921  -5.104 -12.525
  184   1HZ   LYS  24          1HZ       LYS  24  -5.588  -6.461 -15.088
  185   2HZ   LYS  24          3HZ       LYS  24  -4.222  -6.353 -14.089
  186   3HZ   LYS  24          2HZ       LYS  24  -5.635  -7.103 -13.517
  187    HA   PRO  25           HA       PRO  25  -8.648   0.701  -9.710
  188   1HB   PRO  25          2HB       PRO  25  -8.354   2.635 -11.644
  189   2HB   PRO  25          1HB       PRO  25  -7.011   2.010 -10.670
  190   1HG   PRO  25          2HG       PRO  25  -7.687   1.444 -13.523
  191   2HG   PRO  25          1HG       PRO  25  -6.110   1.412 -12.716
  192   1HD   PRO  25          2HD       PRO  25  -7.670  -0.852 -13.364
  193   2HD   PRO  25          1HD       PRO  25  -6.294  -0.827 -12.241
  194    H    GLY  26           H        GLY  26 -10.883  -0.050  -9.667
  195   1HA   GLY  26          2HA       GLY  26 -12.969   1.405 -10.321
  196   2HA   GLY  26          1HA       GLY  26 -12.587   0.829 -11.948
  197    H    GLU  27           H        GLU  27 -12.469  -0.902  -8.828
  198    HA   GLU  27           HA       GLU  27 -14.680  -2.649  -9.789
  199   1HB   GLU  27          2HB       GLU  27 -13.419  -4.663  -9.203
  200   2HB   GLU  27          1HB       GLU  27 -12.516  -3.727 -10.393
  201   1HG   GLU  27          2HG       GLU  27 -10.817  -4.073  -8.882
  202   2HG   GLU  27          1HG       GLU  27 -11.513  -2.621  -8.160
  203    H    ALA  28           H        ALA  28 -14.887  -4.409  -7.764
  204    HA   ALA  28           HA       ALA  28 -15.542  -2.660  -5.472
  205   1HB   ALA  28          1HB       ALA  28 -16.593  -5.108  -6.589
  206   2HB   ALA  28          3HB       ALA  28 -16.212  -5.343  -4.883
  207   3HB   ALA  28          2HB       ALA  28 -17.310  -4.052  -5.372
  208    H    VAL  29           H        VAL  29 -14.298  -2.588  -3.658
  209    HA   VAL  29           HA       VAL  29 -12.333  -4.804  -3.232
  210    HB   VAL  29           HB       VAL  29 -11.247  -2.709  -4.079
  211   1HG1  VAL  29          3HG1      VAL  29 -13.045  -1.510  -2.257
  212   2HG1  VAL  29          2HG1      VAL  29 -11.430  -1.230  -1.605
  213   3HG1  VAL  29          1HG1      VAL  29 -11.826  -0.702  -3.241
  214   1HG2  VAL  29          3HG2      VAL  29 -10.690  -3.671  -1.264
  215   2HG2  VAL  29          2HG2      VAL  29  -9.866  -4.136  -2.753
  216   3HG2  VAL  29          1HG2      VAL  29  -9.639  -2.518  -2.086
  217    H    LYS  30           H        LYS  30 -11.804  -5.189  -0.972
  218    HA   LYS  30           HA       LYS  30 -13.683  -3.926   0.972
  219   1HB   LYS  30          2HB       LYS  30 -14.014  -6.500   0.016
  220   2HB   LYS  30          1HB       LYS  30 -13.112  -6.754   1.511
  221   1HG   LYS  30          2HG       LYS  30 -15.470  -6.768   2.056
  222   2HG   LYS  30          1HG       LYS  30 -14.776  -5.270   2.681
  223   1HD   LYS  30          2HD       LYS  30 -16.602  -4.377   1.598
  224   2HD   LYS  30          1HD       LYS  30 -15.473  -4.398   0.243
  225   1HE   LYS  30          2HE       LYS  30 -16.875  -6.948   0.622
  226   2HE   LYS  30          1HE       LYS  30 -17.958  -5.605   0.257
  227   1HZ   LYS  30          2HZ       LYS  30 -16.025  -5.143  -1.493
  228   2HZ   LYS  30          1HZ       LYS  30 -15.902  -6.835  -1.390
  229   3HZ   LYS  30          3HZ       LYS  30 -17.372  -6.119  -1.843
  230    H    ARG  31           H        ARG  31 -12.683  -3.357   2.867
  231    HA   ARG  31           HA       ARG  31  -9.960  -3.148   3.205
  232   1HB   ARG  31          2HB       ARG  31 -11.867  -2.317   4.742
  233   2HB   ARG  31          1HB       ARG  31 -11.711  -3.876   5.552
  234   1HG   ARG  31          2HG       ARG  31  -9.081  -3.016   5.311
  235   2HG   ARG  31          1HG       ARG  31  -9.963  -1.535   5.685
  236   1HD   ARG  31          2HD       ARG  31 -10.646  -3.974   7.263
  237   2HD   ARG  31          1HD       ARG  31  -9.108  -3.183   7.613
  238    HE   ARG  31           HE       ARG  31 -10.319  -1.411   8.588
  239   1HH1  ARG  31          1HH2      ARG  31 -11.985   0.048   7.220
  240   2HH1  ARG  31          2HH2      ARG  31 -13.586  -0.605   7.330
  241   1HH2  ARG  31          2HH1      ARG  31 -12.529  -3.716   8.436
  242   2HH2  ARG  31          1HH1      ARG  31 -13.894  -2.736   8.018
  243    H    ASP  32           H        ASP  32  -8.290  -4.466   3.990
  244    HA   ASP  32           HA       ASP  32  -7.226  -6.451   4.693
  245   1HB   ASP  32          2HB       ASP  32  -9.357  -6.607   6.180
  246   2HB   ASP  32          1HB       ASP  32  -9.924  -7.762   4.974
  247    H    GLU  33           H        GLU  33  -7.694  -5.866   1.960
  248    HA   GLU  33           HA       GLU  33  -7.771  -8.635   0.881
  249   1HB   GLU  33          2HB       GLU  33 -10.019  -7.333   0.619
  250   2HB   GLU  33          1HB       GLU  33  -9.151  -6.414  -0.612
  251   1HG   GLU  33          2HG       GLU  33  -9.113  -8.160  -2.071
  252   2HG   GLU  33          1HG       GLU  33  -8.823  -9.344  -0.796
  253    H    LEU  34           H        LEU  34  -5.923  -8.918  -0.260
  254    HA   LEU  34           HA       LEU  34  -3.934  -7.082  -0.752
  255   1HB   LEU  34          2HB       LEU  34  -3.694  -9.493  -1.216
  256   2HB   LEU  34          1HB       LEU  34  -4.751  -9.328  -2.619
  257    HG   LEU  34           HG       LEU  34  -3.156  -7.741  -3.635
  258   1HD1  LEU  34          3HD1      LEU  34  -2.154  -7.653  -0.963
  259   2HD1  LEU  34          2HD1      LEU  34  -0.862  -8.255  -2.003
  260   3HD1  LEU  34          1HD1      LEU  34  -1.626  -6.705  -2.353
  261   1HD2  LEU  34          3HD2      LEU  34  -2.319 -10.498  -2.817
  262   2HD2  LEU  34          2HD2      LEU  34  -2.678  -9.870  -4.425
  263   3HD2  LEU  34          1HD2      LEU  34  -1.143  -9.482  -3.649
  264    H    ILE  35           H        ILE  35  -3.314  -5.835  -2.662
  265    HA   ILE  35           HA       ILE  35  -5.474  -5.278  -4.614
  266    HB   ILE  35           HB       ILE  35  -4.122  -3.026  -3.111
  267   1HG1  ILE  35          2HG1      ILE  35  -5.533  -4.484  -1.608
  268   2HG1  ILE  35          1HG1      ILE  35  -6.121  -2.828  -1.760
  269   1HG2  ILE  35          1HG2      ILE  35  -6.499  -3.232  -4.979
  270   2HG2  ILE  35          3HG2      ILE  35  -6.121  -1.786  -4.044
  271   3HG2  ILE  35          2HG2      ILE  35  -4.989  -2.367  -5.264
  272   1HD1  ILE  35          1HD1      ILE  35  -7.139  -4.880  -3.688
  273   2HD1  ILE  35          3HD1      ILE  35  -7.777  -4.884  -2.044
  274   3HD1  ILE  35          2HD1      ILE  35  -7.944  -3.446  -3.051
  275    H    VAL  36           H        VAL  36  -2.138  -4.681  -3.549
  276    HA   VAL  36           HA       VAL  36  -1.199  -5.016  -6.300
  277    HB   VAL  36           HB       VAL  36  -1.904  -2.591  -6.155
  278   1HG1  VAL  36          3HG1      VAL  36   0.362  -2.538  -4.140
  279   2HG1  VAL  36          2HG1      VAL  36  -0.388  -1.105  -4.841
  280   3HG1  VAL  36          1HG1      VAL  36  -1.335  -2.184  -3.816
  281   1HG2  VAL  36          1HG2      VAL  36   0.748  -3.660  -6.884
  282   2HG2  VAL  36          3HG2      VAL  36  -0.368  -2.680  -7.834
  283   3HG2  VAL  36          2HG2      VAL  36   0.707  -1.911  -6.668
  284    H    ASP  37           H        ASP  37   0.964  -5.656  -6.320
  285    HA   ASP  37           HA       ASP  37   2.229  -5.924  -3.630
  286   1HB   ASP  37          2HB       ASP  37   2.338  -7.522  -6.163
  287   2HB   ASP  37          1HB       ASP  37   3.741  -7.542  -5.094
  288    H    ILE  38           H        ILE  38   4.382  -5.226  -3.326
  289    HA   ILE  38           HA       ILE  38   5.375  -3.368  -5.443
  290    HB   ILE  38           HB       ILE  38   6.032  -3.468  -2.482
  291   1HG1  ILE  38          2HG1      ILE  38   4.304  -1.564  -4.099
  292   2HG1  ILE  38          1HG1      ILE  38   3.718  -2.740  -2.922
  293   1HG2  ILE  38          1HG2      ILE  38   7.601  -2.465  -4.475
  294   2HG2  ILE  38          3HG2      ILE  38   6.593  -1.062  -4.114
  295   3HG2  ILE  38          2HG2      ILE  38   7.557  -1.808  -2.839
  296   1HD1  ILE  38          2HD1      ILE  38   5.338  -1.545  -1.269
  297   2HD1  ILE  38          1HD1      ILE  38   5.309  -0.229  -2.442
  298   3HD1  ILE  38          3HD1      ILE  38   3.814  -0.754  -1.670
  299    H    GLU  39           H        GLU  39   7.487  -3.598  -6.211
  300    HA   GLU  39           HA       GLU  39   8.853  -6.124  -5.405
  301   1HB   GLU  39          2HB       GLU  39   8.151  -5.353  -7.895
  302   2HB   GLU  39          1HB       GLU  39   9.752  -4.617  -7.807
  303   1HG   GLU  39          2HG       GLU  39  10.827  -6.637  -7.743
  304   2HG   GLU  39          1HG       GLU  39   9.541  -7.408  -6.813
  305    H    THR  40           H        THR  40  10.772  -5.977  -4.334
  306    HA   THR  40           HA       THR  40  12.107  -3.299  -4.273
  307    HB   THR  40           HB       THR  40  12.716  -5.266  -2.137
  308    HG1  THR  40           HG1      THR  40  10.780  -4.904  -1.098
  309   1HG2  THR  40          3HG2      THR  40  12.721  -2.397  -2.614
  310   2HG2  THR  40          2HG2      THR  40  11.929  -2.796  -1.090
  311   3HG2  THR  40          1HG2      THR  40  13.584  -3.327  -1.390
  312    H    ASP  41           H        ASP  41  14.546  -3.571  -3.724
  313    HA   ASP  41           HA       ASP  41  15.936  -4.760  -5.778
  314   1HB   ASP  41          2HB       ASP  41  17.071  -3.321  -4.192
  315   2HB   ASP  41          1HB       ASP  41  16.807  -4.481  -2.890
  316    H    LYS  42           H        LYS  42  15.294  -6.310  -2.615
  317    HA   LYS  42           HA       LYS  42  15.231  -8.932  -3.985
  318   1HB   LYS  42          2HB       LYS  42  17.279  -8.090  -1.955
  319   2HB   LYS  42          1HB       LYS  42  16.736  -9.767  -1.991
  320   1HG   LYS  42          2HG       LYS  42  17.241  -8.890  -4.681
  321   2HG   LYS  42          1HG       LYS  42  18.653  -8.535  -3.684
  322   1HD   LYS  42          2HD       LYS  42  18.783 -10.833  -2.936
  323   2HD   LYS  42          1HD       LYS  42  17.257 -11.225  -3.732
  324   1HE   LYS  42          2HE       LYS  42  18.417 -10.439  -5.906
  325   2HE   LYS  42          1HE       LYS  42  19.920 -10.584  -4.996
  326   1HZ   LYS  42          2HZ       LYS  42  18.983 -12.899  -4.395
  327   2HZ   LYS  42          1HZ       LYS  42  18.011 -12.683  -5.772
  328   3HZ   LYS  42          3HZ       LYS  42  19.700 -12.663  -5.918
  329    H    VAL  43           H        VAL  43  13.287  -7.185  -2.584
  330    HA   VAL  43           HA       VAL  43  12.377  -9.199  -0.590
  331    HB   VAL  43           HB       VAL  43  12.004  -6.278  -0.001
  332   1HG1  VAL  43          2HG1      VAL  43  11.036  -8.467   1.202
  333   2HG1  VAL  43          1HG1      VAL  43  12.595  -8.392   2.022
  334   3HG1  VAL  43          3HG1      VAL  43  11.483  -7.026   2.117
  335   1HG2  VAL  43          3HG2      VAL  43  14.454  -6.700  -0.456
  336   2HG2  VAL  43          2HG2      VAL  43  14.104  -6.193   1.197
  337   3HG2  VAL  43          1HG2      VAL  43  14.428  -7.890   0.846
  338    H    VAL  44           H        VAL  44  10.208  -9.628  -0.787
  339    HA   VAL  44           HA       VAL  44   8.709  -8.032  -2.800
  340    HB   VAL  44           HB       VAL  44   8.788 -10.475  -3.130
  341   1HG1  VAL  44          3HG1      VAL  44   7.475 -10.523  -0.397
  342   2HG1  VAL  44          2HG1      VAL  44   7.580 -11.918  -1.472
  343   3HG1  VAL  44          1HG1      VAL  44   9.050 -11.193  -0.822
  344   1HG2  VAL  44          1HG2      VAL  44   6.258  -9.009  -2.573
  345   2HG2  VAL  44          3HG2      VAL  44   6.803  -9.785  -4.060
  346   3HG2  VAL  44          2HG2      VAL  44   6.129 -10.758  -2.754
  347    H    MET  45           H        MET  45   6.910  -6.847  -2.229
  348    HA   MET  45           HA       MET  45   6.018  -7.039   0.622
  349   1HB   MET  45          2HB       MET  45   6.622  -4.627  -1.078
  350   2HB   MET  45          1HB       MET  45   5.463  -4.512   0.248
  351   1HG   MET  45          2HG       MET  45   7.941  -5.904   0.988
  352   2HG   MET  45          1HG       MET  45   8.198  -4.227   0.505
  353   1HE   MET  45          3HE       MET  45   8.465  -6.000   3.132
  354   2HE   MET  45          2HE       MET  45   9.025  -4.356   3.432
  355   3HE   MET  45          1HE       MET  45   7.847  -5.091   4.517
  356    H    GLU  46           H        GLU  46   3.743  -6.160   0.900
  357    HA   GLU  46           HA       GLU  46   2.117  -6.580  -1.574
  358   1HB   GLU  46          2HB       GLU  46   0.428  -7.738  -0.176
  359   2HB   GLU  46          1HB       GLU  46   1.971  -8.591  -0.164
  360   1HG   GLU  46          2HG       GLU  46   2.547  -7.650   1.992
  361   2HG   GLU  46          1HG       GLU  46   1.124  -6.606   1.963
  362    H    VAL  47           H        VAL  47  -0.059  -5.547  -1.411
  363    HA   VAL  47           HA       VAL  47  -0.216  -3.377   0.617
  364    HB   VAL  47           HB       VAL  47  -0.373  -3.001  -2.387
  365   1HG1  VAL  47          1HG1      VAL  47  -1.629  -1.545  -0.189
  366   2HG1  VAL  47          3HG1      VAL  47  -0.558  -0.514  -1.139
  367   3HG1  VAL  47          2HG1      VAL  47  -1.878  -1.380  -1.928
  368   1HG2  VAL  47          2HG2      VAL  47   1.421  -1.827  -0.237
  369   2HG2  VAL  47          1HG2      VAL  47   1.904  -2.995  -1.466
  370   3HG2  VAL  47          3HG2      VAL  47   1.443  -1.359  -1.937
  371    H    LEU  48           H        LEU  48  -2.128  -3.910   1.595
  372    HA   LEU  48           HA       LEU  48  -4.378  -4.825  -0.110
  373   1HB   LEU  48          2HB       LEU  48  -5.266  -5.086   2.452
  374   2HB   LEU  48          1HB       LEU  48  -4.445  -6.362   1.566
  375    HG   LEU  48           HG       LEU  48  -2.274  -5.531   2.500
  376   1HD1  LEU  48          1HD1      LEU  48  -3.947  -3.349   3.278
  377   2HD1  LEU  48          3HD1      LEU  48  -3.330  -4.108   4.746
  378   3HD1  LEU  48          2HD1      LEU  48  -2.208  -3.524   3.517
  379   1HD2  LEU  48          1HD2      LEU  48  -3.633  -7.380   3.551
  380   2HD2  LEU  48          3HD2      LEU  48  -2.597  -6.518   4.689
  381   3HD2  LEU  48          2HD2      LEU  48  -4.327  -6.177   4.637
  382    H    ALA  49           H        ALA  49  -6.494  -3.847   0.245
  383    HA   ALA  49           HA       ALA  49  -6.361  -0.971   0.518
  384   1HB   ALA  49          2HB       ALA  49  -8.026  -2.334  -0.885
  385   2HB   ALA  49          1HB       ALA  49  -8.885  -2.633   0.626
  386   3HB   ALA  49          3HB       ALA  49  -8.692  -0.983   0.032
  387    H    GLU  50           H        GLU  50  -7.090   0.320   2.241
  388    HA   GLU  50           HA       GLU  50  -7.362  -1.121   4.834
  389   1HB   GLU  50          2HB       GLU  50  -6.002   1.271   4.007
  390   2HB   GLU  50          1HB       GLU  50  -7.201   1.688   5.232
  391   1HG   GLU  50          2HG       GLU  50  -6.262  -0.396   6.500
  392   2HG   GLU  50          1HG       GLU  50  -4.864  -0.194   5.444
  393    H    ALA  51           H        ALA  51  -9.428  -0.247   2.573
  394    HA   ALA  51           HA       ALA  51 -11.686  -0.051   4.304
  395   1HB   ALA  51          2HB       ALA  51 -10.385   2.318   4.348
  396   2HB   ALA  51          1HB       ALA  51 -11.404   2.571   2.930
  397   3HB   ALA  51          3HB       ALA  51 -12.139   2.190   4.487
  398    H    ASP  52           H        ASP  52 -13.526  -0.463   3.101
  399    HA   ASP  52           HA       ASP  52 -13.288  -1.274   0.392
  400   1HB   ASP  52          2HB       ASP  52 -15.144  -2.217   1.368
  401   2HB   ASP  52          1HB       ASP  52 -15.552  -0.766   2.275
  402    H    GLY  53           H        GLY  53 -14.691  -0.258  -1.397
  403   1HA   GLY  53          2HA       GLY  53 -15.642   2.201  -1.807
  404   2HA   GLY  53          1HA       GLY  53 -13.939   2.609  -1.569
  405    H    VAL  54           H        VAL  54 -14.100   3.397  -3.849
  406    HA   VAL  54           HA       VAL  54 -13.676   1.129  -5.751
  407    HB   VAL  54           HB       VAL  54 -15.214   3.700  -6.183
  408   1HG1  VAL  54          3HG1      VAL  54 -13.889   1.836  -8.126
  409   2HG1  VAL  54          2HG1      VAL  54 -15.423   2.585  -8.566
  410   3HG1  VAL  54          1HG1      VAL  54 -14.026   3.592  -8.185
  411   1HG2  VAL  54          1HG2      VAL  54 -15.839   0.818  -5.905
  412   2HG2  VAL  54          3HG2      VAL  54 -16.845   2.225  -5.562
  413   3HG2  VAL  54          2HG2      VAL  54 -16.678   1.645  -7.218
  414    H    ILE  55           H        ILE  55 -11.682   1.227  -6.660
  415    HA   ILE  55           HA       ILE  55  -9.810   3.289  -6.101
  416    HB   ILE  55           HB       ILE  55  -9.886   1.175  -8.261
  417   1HG1  ILE  55          2HG1      ILE  55  -8.582   1.501  -5.554
  418   2HG1  ILE  55          1HG1      ILE  55  -9.605   0.184  -6.125
  419   1HG2  ILE  55          3HG2      ILE  55  -7.683   3.137  -7.541
  420   2HG2  ILE  55          2HG2      ILE  55  -7.460   1.722  -8.570
  421   3HG2  ILE  55          1HG2      ILE  55  -8.529   3.029  -9.085
  422   1HD1  ILE  55          1HD1      ILE  55  -7.713  -0.170  -7.898
  423   2HD1  ILE  55          3HD1      ILE  55  -6.724   0.752  -6.765
  424   3HD1  ILE  55          2HD1      ILE  55  -7.471  -0.762  -6.254
  425    H    ALA  56           H        ALA  56  -8.762   4.705  -7.802
  426    HA   ALA  56           HA       ALA  56 -10.895   5.926  -9.490
  427   1HB   ALA  56          1HB       ALA  56  -9.779   7.398  -7.829
  428   2HB   ALA  56          3HB       ALA  56  -8.229   7.073  -8.606
  429   3HB   ALA  56          2HB       ALA  56  -9.490   7.939  -9.484
  430    H    GLU  57           H        GLU  57  -7.331   5.626  -9.721
  431    HA   GLU  57           HA       GLU  57  -7.467   4.180 -12.228
  432   1HB   GLU  57          2HB       GLU  57  -8.016   6.786 -12.614
  433   2HB   GLU  57          1HB       GLU  57  -6.254   6.871 -12.636
  434   1HG   GLU  57          2HG       GLU  57  -6.609   6.380 -14.860
  435   2HG   GLU  57          1HG       GLU  57  -6.560   4.736 -14.224
  436    H    ILE  58           H        ILE  58  -5.473   3.243 -12.644
  437    HA   ILE  58           HA       ILE  58  -3.325   3.855 -10.691
  438    HB   ILE  58           HB       ILE  58  -3.583   1.592 -12.697
  439   1HG1  ILE  58          2HG1      ILE  58  -5.297   1.346 -11.033
  440   2HG1  ILE  58          1HG1      ILE  58  -3.983   0.266 -10.554
  441   1HG2  ILE  58          1HG2      ILE  58  -1.243   2.220 -12.006
  442   2HG2  ILE  58          3HG2      ILE  58  -1.706   1.892 -10.337
  443   3HG2  ILE  58          2HG2      ILE  58  -1.716   0.590 -11.526
  444   1HD1  ILE  58          3HD1      ILE  58  -3.120   2.113  -9.067
  445   2HD1  ILE  58          2HD1      ILE  58  -4.589   3.017  -9.434
  446   3HD1  ILE  58          1HD1      ILE  58  -4.691   1.475  -8.585
  447    H    VAL  59           H        VAL  59  -1.684   5.167 -11.309
  448    HA   VAL  59           HA       VAL  59  -1.333   5.784 -14.178
  449    HB   VAL  59           HB       VAL  59   0.061   6.909 -11.729
  450   1HG1  VAL  59          1HG1      VAL  59   0.855   7.019 -14.383
  451   2HG1  VAL  59          3HG1      VAL  59  -0.056   8.516 -14.177
  452   3HG1  VAL  59          2HG1      VAL  59   1.319   8.169 -13.128
  453   1HG2  VAL  59          2HG2      VAL  59  -2.387   7.360 -11.816
  454   2HG2  VAL  59          1HG2      VAL  59  -1.436   8.829 -12.039
  455   3HG2  VAL  59          3HG2      VAL  59  -2.184   8.042 -13.429
  456    H    LYS  60           H        LYS  60   0.255   4.024 -11.600
  457    HA   LYS  60           HA       LYS  60   2.703   3.661 -13.221
  458   1HB   LYS  60          2HB       LYS  60   2.025   3.489 -10.424
  459   2HB   LYS  60          1HB       LYS  60   2.741   1.965 -10.949
  460   1HG   LYS  60          2HG       LYS  60   4.609   3.275 -10.349
  461   2HG   LYS  60          1HG       LYS  60   4.532   3.442 -12.103
  462   1HD   LYS  60          2HD       LYS  60   2.950   5.407 -10.534
  463   2HD   LYS  60          1HD       LYS  60   4.705   5.565 -10.435
  464   1HE   LYS  60          2HE       LYS  60   4.275   5.124 -13.135
  465   2HE   LYS  60          1HE       LYS  60   2.907   6.139 -12.678
  466   1HZ   LYS  60          3HZ       LYS  60   4.627   7.570 -11.512
  467   2HZ   LYS  60          2HZ       LYS  60   5.793   6.715 -12.406
  468   3HZ   LYS  60          1HZ       LYS  60   4.605   7.625 -13.208
  469    H    ASN  61           H        ASN  61   3.109   1.827 -14.402
  470    HA   ASN  61           HA       ASN  61   0.970  -0.239 -14.443
  471   1HB   ASN  61          2HB       ASN  61   3.300   0.001 -16.356
  472   2HB   ASN  61          1HB       ASN  61   1.769  -0.837 -16.610
  473   1HD2  ASN  61          2HD2      ASN  61  -0.060   2.262 -17.135
  474   2HD2  ASN  61          1HD2      ASN  61  -0.240   0.733 -16.402
  475    H    GLU  62           H        GLU  62   1.757  -2.547 -14.706
  476    HA   GLU  62           HA       GLU  62   3.547  -3.216 -12.547
  477   1HB   GLU  62          2HB       GLU  62   2.643  -5.030 -14.800
  478   2HB   GLU  62          1HB       GLU  62   3.176  -5.513 -13.189
  479   1HG   GLU  62          2HG       GLU  62   1.234  -4.589 -12.159
  480   2HG   GLU  62          1HG       GLU  62   0.783  -3.716 -13.627
  481    H    GLY  63           H        GLY  63   5.707  -3.848 -12.625
  482   1HA   GLY  63          2HA       GLY  63   7.813  -4.339 -13.593
  483   2HA   GLY  63          1HA       GLY  63   7.050  -4.303 -15.188
  484    H    ASP  64           H        ASP  64   6.331  -1.584 -13.242
  485    HA   ASP  64           HA       ASP  64   8.176   0.047 -14.916
  486   1HB   ASP  64          2HB       ASP  64   6.111   1.012 -15.225
  487   2HB   ASP  64          1HB       ASP  64   5.516   0.523 -13.638
  488    H    THR  65           H        THR  65   8.993   2.070 -13.718
  489    HA   THR  65           HA       THR  65  10.203   1.146 -11.163
  490    HB   THR  65           HB       THR  65  10.907   3.606 -12.785
  491    HG1  THR  65           HG1      THR  65  11.113   1.546 -13.907
  492   1HG2  THR  65          2HG2      THR  65  12.200   2.074 -10.531
  493   2HG2  THR  65          1HG2      THR  65  13.137   3.136 -11.582
  494   3HG2  THR  65          3HG2      THR  65  11.821   3.795 -10.610
  495    H    VAL  66           H        VAL  66   9.898   2.274  -9.234
  496    HA   VAL  66           HA       VAL  66   8.035   4.611  -9.350
  497    HB   VAL  66           HB       VAL  66   7.267   3.693  -7.034
  498   1HG1  VAL  66          1HG1      VAL  66   6.371   3.330  -9.689
  499   2HG1  VAL  66          3HG1      VAL  66   6.195   1.763  -8.899
  500   3HG1  VAL  66          2HG1      VAL  66   5.416   3.190  -8.213
  501   1HG2  VAL  66          1HG2      VAL  66   8.483   1.225  -8.318
  502   2HG2  VAL  66          3HG2      VAL  66   9.004   1.980  -6.811
  503   3HG2  VAL  66          2HG2      VAL  66   7.423   1.207  -6.909
  504    H    LEU  67           H        LEU  67   8.604   6.336  -8.040
  505    HA   LEU  67           HA       LEU  67  11.219   6.090  -6.642
  506   1HB   LEU  67          2HB       LEU  67  10.240   8.027  -8.349
  507   2HB   LEU  67          1HB       LEU  67   9.971   8.750  -6.762
  508    HG   LEU  67           HG       LEU  67  12.466   7.792  -6.388
  509   1HD1  LEU  67          3HD1      LEU  67  12.035   8.047  -9.332
  510   2HD1  LEU  67          2HD1      LEU  67  13.567   8.627  -8.680
  511   3HD1  LEU  67          1HD1      LEU  67  13.088   6.947  -8.443
  512   1HD2  LEU  67          3HD2      LEU  67  11.304  10.241  -6.506
  513   2HD2  LEU  67          2HD2      LEU  67  13.041  10.008  -6.297
  514   3HD2  LEU  67          1HD2      LEU  67  12.382  10.349  -7.898
  515    H    SER  68           H        SER  68  11.370   7.383  -4.539
  516    HA   SER  68           HA       SER  68   9.544   6.377  -2.622
  517   1HB   SER  68          2HB       SER  68  11.760   7.173  -1.976
  518   2HB   SER  68          1HB       SER  68  11.351   8.811  -2.479
  519    HG   SER  68           HG       SER  68  10.632   9.028  -0.521
  520    H    GLY  69           H        GLY  69   7.522   7.034  -2.049
  521   1HA   GLY  69          2HA       GLY  69   5.655   8.444  -1.771
  522   2HA   GLY  69          1HA       GLY  69   6.691   9.813  -2.178
  523    H    GLU  70           H        GLU  70   6.578   7.109  -4.355
  524    HA   GLU  70           HA       GLU  70   5.540   8.833  -6.475
  525   1HB   GLU  70          2HB       GLU  70   7.279   7.176  -6.979
  526   2HB   GLU  70          1HB       GLU  70   6.210   5.873  -6.458
  527   1HG   GLU  70          2HG       GLU  70   6.238   6.155  -8.939
  528   2HG   GLU  70          1HG       GLU  70   4.634   6.398  -8.245
  529    H    LEU  71           H        LEU  71   3.393   9.142  -6.780
  530    HA   LEU  71           HA       LEU  71   1.386   7.596  -5.415
  531   1HB   LEU  71          2HB       LEU  71   1.048   9.954  -6.126
  532   2HB   LEU  71          1HB       LEU  71   1.073   9.433  -7.811
  533    HG   LEU  71           HG       LEU  71  -0.809   8.031  -5.968
  534   1HD1  LEU  71          1HD1      LEU  71  -0.791  10.896  -6.308
  535   2HD1  LEU  71          3HD1      LEU  71  -2.225  10.217  -7.079
  536   3HD1  LEU  71          2HD1      LEU  71  -1.908   9.903  -5.372
  537   1HD2  LEU  71          3HD2      LEU  71  -0.768   8.924  -8.859
  538   2HD2  LEU  71          2HD2      LEU  71  -0.763   7.276  -8.235
  539   3HD2  LEU  71          1HD2      LEU  71  -2.216   8.266  -8.099
  540    H    LEU  72           H        LEU  72   0.181   5.855  -6.134
  541    HA   LEU  72           HA       LEU  72   0.848   4.823  -8.864
  542   1HB   LEU  72          2HB       LEU  72  -0.021   3.114  -6.527
  543   2HB   LEU  72          1HB       LEU  72   0.746   2.596  -8.028
  544    HG   LEU  72           HG       LEU  72   2.395   4.568  -6.710
  545   1HD1  LEU  72          1HD1      LEU  72   1.170   2.461  -5.019
  546   2HD1  LEU  72          3HD1      LEU  72   2.922   2.627  -4.884
  547   3HD1  LEU  72          2HD1      LEU  72   1.875   4.009  -4.555
  548   1HD2  LEU  72          1HD2      LEU  72   2.584   1.770  -7.751
  549   2HD2  LEU  72          3HD2      LEU  72   3.537   3.191  -8.178
  550   3HD2  LEU  72          2HD2      LEU  72   3.860   2.333  -6.672
  551    H    GLY  73           H        GLY  73  -1.647   5.603  -6.559
  552   1HA   GLY  73          2HA       GLY  73  -3.687   5.691  -8.565
  553   2HA   GLY  73          1HA       GLY  73  -3.842   4.188  -7.648
  554    H    LYS  74           H        LYS  74  -5.801   6.266  -7.600
  555    HA   LYS  74           HA       LYS  74  -5.521   7.190  -4.767
  556   1HB   LYS  74          2HB       LYS  74  -6.094   8.685  -7.175
  557   2HB   LYS  74          1HB       LYS  74  -7.450   8.798  -6.053
  558   1HG   LYS  74          2HG       LYS  74  -5.792   9.372  -4.238
  559   2HG   LYS  74          1HG       LYS  74  -4.551   9.467  -5.488
  560   1HD   LYS  74          2HD       LYS  74  -5.547  11.694  -4.946
  561   2HD   LYS  74          1HD       LYS  74  -5.780  11.234  -6.634
  562   1HE   LYS  74          2HE       LYS  74  -8.056  10.613  -6.250
  563   2HE   LYS  74          1HE       LYS  74  -7.850  10.681  -4.499
  564   1HZ   LYS  74          3HZ       LYS  74  -7.349  13.079  -6.129
  565   2HZ   LYS  74          2HZ       LYS  74  -8.944  12.653  -5.726
  566   3HZ   LYS  74          1HZ       LYS  74  -7.810  12.967  -4.501
  567    H    LEU  75           H        LEU  75  -7.159   6.564  -3.413
  568    HA   LEU  75           HA       LEU  75  -9.319   4.907  -4.574
  569   1HB   LEU  75          2HB       LEU  75  -7.932   4.225  -2.529
  570   2HB   LEU  75          1HB       LEU  75  -8.827   5.460  -1.641
  571    HG   LEU  75           HG       LEU  75 -10.778   4.017  -3.058
  572   1HD1  LEU  75          1HD1      LEU  75  -8.473   2.383  -2.686
  573   2HD1  LEU  75          3HD1      LEU  75  -9.700   1.834  -1.544
  574   3HD1  LEU  75          2HD1      LEU  75 -10.064   1.895  -3.269
  575   1HD2  LEU  75          3HD2      LEU  75  -9.879   3.809  -0.166
  576   2HD2  LEU  75          2HD2      LEU  75 -11.006   5.003  -0.811
  577   3HD2  LEU  75          1HD2      LEU  75 -11.449   3.295  -0.784
  578    H    THR  76           H        THR  76 -11.538   5.393  -4.265
  579    HA   THR  76           HA       THR  76 -12.075   8.264  -3.717
  580    HB   THR  76           HB       THR  76 -12.893   6.987  -5.822
  581    HG1  THR  76           HG1      THR  76 -13.605   9.054  -5.204
  582   1HG2  THR  76          1HG2      THR  76 -14.012   5.332  -3.896
  583   2HG2  THR  76          3HG2      THR  76 -15.374   6.304  -4.453
  584   3HG2  THR  76          2HG2      THR  76 -14.436   5.356  -5.608
  585    H    GLU  77           H        GLU  77 -14.807   7.903  -3.109
  586    HA   GLU  77           HA       GLU  77 -14.576   7.320  -0.245
  587   1HB   GLU  77          2HB       GLU  77 -16.816   8.314  -2.013
  588   2HB   GLU  77          1HB       GLU  77 -17.080   7.914  -0.315
  589   1HG   GLU  77          2HG       GLU  77 -15.029   9.899  -1.341
  590   2HG   GLU  77          1HG       GLU  77 -16.579  10.323  -0.613
  591    H    GLY  78           H        GLY  78 -16.610   6.029   0.675
  592   1HA   GLY  78          2HA       GLY  78 -16.384   3.337  -0.437
  593   2HA   GLY  78          1HA       GLY  78 -17.323   3.795   0.985
  594    H    GLY  79           HN       GLY  79 -19.093   5.630   0.057
  595   1HA   GLY  79          2HA       GLY  79 -20.302   5.000  -2.470
  596   2HA   GLY  79          1HA       GLY  79 -21.115   4.109  -1.183
   
  No H/Q in entry =         596
  Start of MODEL   12
    1   1H    ALA   1          2H        ALA   1 -11.002   7.110   1.794
    2   2H    ALA   1          1H        ALA   1 -11.171   8.686   2.405
    3   3H    ALA   1          3H        ALA   1 -12.050   8.211   1.036
    4    HA   ALA   1           HA       ALA   1 -10.216   8.248  -0.349
    5   1HB   ALA   1          2HB       ALA   1 -10.291  10.447   1.672
    6   2HB   ALA   1          1HB       ALA   1  -8.916  10.399   0.568
    7   3HB   ALA   1          3HB       ALA   1 -10.556  10.515  -0.071
    8    H    ILE   2           H        ILE   2  -8.590   6.758  -0.412
    9    HA   ILE   2           HA       ILE   2  -6.437   7.004   1.641
   10    HB   ILE   2           HB       ILE   2  -7.654   4.429   0.595
   11   1HG1  ILE   2          2HG1      ILE   2  -7.416   5.308   3.470
   12   2HG1  ILE   2          1HG1      ILE   2  -8.782   5.830   2.481
   13   1HG2  ILE   2          1HG2      ILE   2  -5.291   4.919   2.433
   14   2HG2  ILE   2          3HG2      ILE   2  -6.016   3.342   2.125
   15   3HG2  ILE   2          2HG2      ILE   2  -5.225   4.220   0.816
   16   1HD1  ILE   2          3HD1      ILE   2  -8.488   3.061   2.004
   17   2HD1  ILE   2          2HD1      ILE   2  -8.342   3.273   3.748
   18   3HD1  ILE   2          1HD1      ILE   2  -9.776   3.857   2.906
   19    H    ASP   3           H        ASP   3  -5.087   8.090   0.146
   20    HA   ASP   3           HA       ASP   3  -4.637   7.037  -2.531
   21   1HB   ASP   3          2HB       ASP   3  -4.331   9.403  -2.203
   22   2HB   ASP   3          1HB       ASP   3  -3.202   9.128  -0.871
   23    H    ILE   4           H        ILE   4  -2.436   6.313  -3.244
   24    HA   ILE   4           HA       ILE   4  -0.892   4.986  -1.063
   25    HB   ILE   4           HB       ILE   4  -1.654   3.664  -3.684
   26   1HG1  ILE   4          2HG1      ILE   4  -2.661   2.322  -1.359
   27   2HG1  ILE   4          1HG1      ILE   4  -3.173   4.009  -1.292
   28   1HG2  ILE   4          3HG2      ILE   4  -0.130   2.769  -1.227
   29   2HG2  ILE   4          2HG2      ILE   4  -0.789   1.632  -2.404
   30   3HG2  ILE   4          1HG2      ILE   4   0.436   2.802  -2.898
   31   1HD1  ILE   4          2HD1      ILE   4  -3.430   2.987  -3.988
   32   2HD1  ILE   4          1HD1      ILE   4  -4.309   1.961  -2.856
   33   3HD1  ILE   4          3HD1      ILE   4  -4.668   3.684  -2.944
   34    H    LYS   5           H        LYS   5   1.232   5.505  -1.247
   35    HA   LYS   5           HA       LYS   5   2.312   6.074  -3.972
   36   1HB   LYS   5          2HB       LYS   5   3.620   7.945  -3.029
   37   2HB   LYS   5          1HB       LYS   5   1.889   8.221  -2.827
   38   1HG   LYS   5          2HG       LYS   5   2.009   7.408  -0.513
   39   2HG   LYS   5          1HG       LYS   5   3.730   7.076  -0.706
   40   1HD   LYS   5          2HD       LYS   5   4.273   9.372  -0.879
   41   2HD   LYS   5          1HD       LYS   5   2.600   9.830  -1.197
   42   1HE   LYS   5          2HE       LYS   5   2.710   8.435   1.307
   43   2HE   LYS   5          1HE       LYS   5   3.922   9.717   1.318
   44   1HZ   LYS   5          2HZ       LYS   5   2.204  11.271   0.586
   45   2HZ   LYS   5          1HZ       LYS   5   1.045  10.031   0.654
   46   3HZ   LYS   5          3HZ       LYS   5   1.806  10.556   2.075
   47    H    ALA   6           H        ALA   6   4.837   6.135  -3.806
   48    HA   ALA   6           HA       ALA   6   5.645   3.630  -2.517
   49   1HB   ALA   6          2HB       ALA   6   6.865   5.563  -4.440
   50   2HB   ALA   6          1HB       ALA   6   7.958   4.549  -3.497
   51   3HB   ALA   6          3HB       ALA   6   6.745   3.807  -4.540
   52    HA   PRO   7           HA       PRO   7   7.283   5.506   1.109
   53   1HB   PRO   7          2HB       PRO   7   8.947   3.451   1.866
   54   2HB   PRO   7          1HB       PRO   7   7.185   3.407   2.059
   55   1HG   PRO   7          2HG       PRO   7   8.890   1.984   0.069
   56   2HG   PRO   7          1HG       PRO   7   7.303   1.533   0.712
   57   1HD   PRO   7          2HD       PRO   7   7.796   2.704  -1.819
   58   2HD   PRO   7          1HD       PRO   7   6.211   2.552  -1.027
   59    H    THR   8           H        THR   8   9.284   6.441   1.913
   60    HA   THR   8           HA       THR   8  11.162   7.183  -0.158
   61    HB   THR   8           HB       THR   8  11.786   7.526   2.757
   62    HG1  THR   8           HG1      THR   8   9.673   8.697   1.300
   63   1HG2  THR   8          3HG2      THR   8  12.093   9.134   0.219
   64   2HG2  THR   8          2HG2      THR   8  12.348   9.843   1.814
   65   3HG2  THR   8          1HG2      THR   8  13.362   8.506   1.271
   66    H    PHE   9           H        PHE   9  13.083   6.219  -0.681
   67    HA   PHE   9           HA       PHE   9  13.857   3.808   0.881
   68   1HB   PHE   9          2HB       PHE   9  14.882   4.739  -1.819
   69   2HB   PHE   9          1HB       PHE   9  15.140   3.157  -1.076
   70    HD1  PHE   9           HD2      PHE   9  13.095   1.703  -0.576
   71    HD2  PHE   9           HD1      PHE   9  12.943   5.175  -3.103
   72    HE1  PHE   9           HE2      PHE   9  10.967   0.892  -1.561
   73    HE2  PHE   9           HE1      PHE   9  10.815   4.364  -4.088
   74    HZ   PHE   9           HZ       PHE   9   9.826   2.223  -3.318
   75    HA   PRO  10           HA       PRO  10  17.405   5.829   2.495
   76   1HB   PRO  10          2HB       PRO  10  18.982   3.619   2.927
   77   2HB   PRO  10          1HB       PRO  10  17.593   4.044   3.943
   78   1HG   PRO  10          2HG       PRO  10  17.830   1.890   1.894
   79   2HG   PRO  10          1HG       PRO  10  16.781   1.974   3.318
   80   1HD   PRO  10          2HD       PRO  10  15.992   2.474   0.646
   81   2HD   PRO  10          1HD       PRO  10  15.055   2.871   2.104
   82    H    GLU  11           H        GLU  11  20.084   4.954   2.197
   83    HA   GLU  11           HA       GLU  11  20.665   5.948  -0.481
   84   1HB   GLU  11          2HB       GLU  11  22.015   6.068   1.868
   85   2HB   GLU  11          1HB       GLU  11  22.835   4.700   1.113
   86   1HG   GLU  11          2HG       GLU  11  22.710   6.420  -0.991
   87   2HG   GLU  11          1HG       GLU  11  22.841   7.561   0.349
   88    H    SER  12           H        SER  12  21.436   2.884   1.214
   89    HA   SER  12           HA       SER  12  22.573   1.428  -0.824
   90   1HB   SER  12          2HB       SER  12  22.269   0.390   1.320
   91   2HB   SER  12          1HB       SER  12  20.513   0.535   1.206
   92    HG   SER  12           HG       SER  12  20.982  -1.523   0.601
   93    H    ILE  13           H        ILE  13  19.050   1.772  -0.301
   94    HA   ILE  13           HA       ILE  13  18.545   0.556  -2.945
   95    HB   ILE  13           HB       ILE  13  16.481   1.741  -1.083
   96   1HG1  ILE  13          2HG1      ILE  13  17.649  -1.062  -1.026
   97   2HG1  ILE  13          1HG1      ILE  13  17.925   0.180   0.197
   98   1HG2  ILE  13          1HG2      ILE  13  16.394   0.478  -3.607
   99   2HG2  ILE  13          3HG2      ILE  13  15.806  -0.715  -2.449
  100   3HG2  ILE  13          2HG2      ILE  13  15.027   0.863  -2.560
  101   1HD1  ILE  13          3HD1      ILE  13  15.171  -0.821  -0.568
  102   2HD1  ILE  13          2HD1      ILE  13  16.102  -1.471   0.781
  103   3HD1  ILE  13          1HD1      ILE  13  15.590   0.215   0.796
  104    H    ALA  14           H        ALA  14  17.716   1.710  -4.710
  105    HA   ALA  14           HA       ALA  14  17.723   4.685  -4.395
  106   1HB   ALA  14          3HB       ALA  14  19.329   3.193  -6.042
  107   2HB   ALA  14          2HB       ALA  14  17.989   3.586  -7.119
  108   3HB   ALA  14          1HB       ALA  14  18.898   4.877  -6.333
  109    H    ASP  15           H        ASP  15  15.690   2.094  -4.772
  110    HA   ASP  15           HA       ASP  15  13.329   3.486  -5.135
  111   1HB   ASP  15          2HB       ASP  15  12.980   2.937  -7.683
  112   2HB   ASP  15          1HB       ASP  15  13.844   4.404  -7.223
  113    H    GLY  16           H        GLY  16  11.758   1.895  -6.721
  114   1HA   GLY  16          2HA       GLY  16  12.432  -0.919  -6.049
  115   2HA   GLY  16          1HA       GLY  16  10.923  -0.256  -5.420
  116    H    THR  17           H        THR  17   9.942  -2.015  -6.768
  117    HA   THR  17           HA       THR  17   9.273  -0.939  -9.437
  118    HB   THR  17           HB       THR  17  10.537  -3.653  -8.980
  119    HG1  THR  17           HG1      THR  17  11.948  -1.955  -9.430
  120   1HG2  THR  17          3HG2      THR  17   8.466  -2.870 -10.852
  121   2HG2  THR  17          2HG2      THR  17   9.940  -3.333 -11.704
  122   3HG2  THR  17          1HG2      THR  17   9.179  -4.461 -10.582
  123    H    VAL  18           H        VAL  18   7.124  -1.283  -9.856
  124    HA   VAL  18           HA       VAL  18   5.312  -2.192  -7.934
  125    HB   VAL  18           HB       VAL  18   4.954  -2.454 -10.935
  126   1HG1  VAL  18          2HG1      VAL  18   3.228  -3.574  -9.564
  127   2HG1  VAL  18          1HG1      VAL  18   2.966  -2.073  -8.675
  128   3HG1  VAL  18          3HG1      VAL  18   2.570  -2.162 -10.391
  129   1HG2  VAL  18          1HG2      VAL  18   5.183  -0.126  -9.152
  130   2HG2  VAL  18          3HG2      VAL  18   5.281  -0.206 -10.912
  131   3HG2  VAL  18          2HG2      VAL  18   3.707  -0.129 -10.119
  132    H    ALA  19           H        ALA  19   4.017  -4.206  -7.878
  133    HA   ALA  19           HA       ALA  19   5.716  -6.556  -8.577
  134   1HB   ALA  19          3HB       ALA  19   5.103  -6.280  -6.186
  135   2HB   ALA  19          2HB       ALA  19   3.399  -6.356  -6.629
  136   3HB   ALA  19          1HB       ALA  19   4.434  -7.763  -6.867
  137    H    THR  20           H        THR  20   2.197  -6.303  -8.062
  138    HA   THR  20           HA       THR  20   1.630  -6.873 -10.875
  139    HB   THR  20           HB       THR  20   1.269  -8.992  -8.741
  140    HG1  THR  20           HG1      THR  20   2.851  -9.886  -9.769
  141   1HG2  THR  20          1HG2      THR  20  -0.043  -8.660 -11.438
  142   2HG2  THR  20          3HG2      THR  20   0.151 -10.246 -10.691
  143   3HG2  THR  20          2HG2      THR  20  -0.806  -9.002  -9.885
  144    H    TRP  21           H        TRP  21  -0.349  -5.996 -11.330
  145    HA   TRP  21           HA       TRP  21  -1.992  -5.036  -9.086
  146   1HB   TRP  21          2HB       TRP  21  -1.756  -4.484 -12.009
  147   2HB   TRP  21          1HB       TRP  21  -3.316  -4.194 -11.246
  148    HD1  TRP  21           HD1      TRP  21   0.170  -2.826 -11.515
  149    HE1  TRP  21           HE1      TRP  21   0.355  -0.654 -10.129
  150    HE3  TRP  21           HE3      TRP  21  -4.272  -2.987  -8.996
  151    HZ2  TRP  21           HZ2      TRP  21  -1.150   0.804  -8.235
  152    HZ3  TRP  21           HZ3      TRP  21  -4.872  -1.184  -7.398
  153    HH2  TRP  21           HH2      TRP  21  -3.316   0.714  -7.013
  154    H    HIS  22           H        HIS  22  -2.801  -7.130  -8.388
  155    HA   HIS  22           HA       HIS  22  -4.002  -9.144  -9.875
  156   1HB   HIS  22          2HB       HIS  22  -5.562  -8.174  -7.505
  157   2HB   HIS  22          1HB       HIS  22  -5.117  -9.823  -7.954
  158    HD1  HIS  22           HD1      HIS  22  -3.699  -6.695  -6.408
  159    HD2  HIS  22           HD2      HIS  22  -2.620 -10.683  -6.952
  160    HE1  HIS  22           HE1      HIS  22  -1.556  -7.033  -5.131
  161    H    LYS  23           H        LYS  23  -5.992  -6.510  -8.479
  162    HA   LYS  23           HA       LYS  23  -7.941  -6.929 -10.670
  163   1HB   LYS  23          2HB       LYS  23  -8.011  -5.383  -8.075
  164   2HB   LYS  23          1HB       LYS  23  -9.270  -5.210  -9.299
  165   1HG   LYS  23          2HG       LYS  23  -8.700  -8.009  -8.835
  166   2HG   LYS  23          1HG       LYS  23  -9.103  -7.204  -7.317
  167   1HD   LYS  23          2HD       LYS  23 -10.968  -6.136  -9.026
  168   2HD   LYS  23          1HD       LYS  23 -10.813  -7.780  -9.646
  169   1HE   LYS  23          2HE       LYS  23 -12.305  -8.284  -8.000
  170   2HE   LYS  23          1HE       LYS  23 -10.884  -8.248  -6.958
  171   1HZ   LYS  23          1HZ       LYS  23 -12.680  -5.947  -7.509
  172   2HZ   LYS  23          3HZ       LYS  23 -12.666  -6.868  -6.084
  173   3HZ   LYS  23          2HZ       LYS  23 -11.315  -5.923  -6.495
  174    H    LYS  24           H        LYS  24  -9.018  -4.488 -11.090
  175    HA   LYS  24           HA       LYS  24  -6.712  -2.782 -11.947
  176   1HB   LYS  24          2HB       LYS  24  -8.953  -3.919 -13.499
  177   2HB   LYS  24          1HB       LYS  24  -8.667  -2.200 -13.772
  178   1HG   LYS  24          2HG       LYS  24  -7.308  -3.441 -15.346
  179   2HG   LYS  24          1HG       LYS  24  -6.236  -2.733 -14.138
  180   1HD   LYS  24          2HD       LYS  24  -5.705  -4.764 -13.216
  181   2HD   LYS  24          1HD       LYS  24  -7.303  -5.442 -13.534
  182   1HE   LYS  24          2HE       LYS  24  -6.385  -6.529 -15.283
  183   2HE   LYS  24          1HE       LYS  24  -6.232  -4.959 -16.074
  184   1HZ   LYS  24          3HZ       LYS  24  -4.187  -5.672 -14.120
  185   2HZ   LYS  24          2HZ       LYS  24  -4.160  -6.508 -15.599
  186   3HZ   LYS  24          1HZ       LYS  24  -4.044  -4.814 -15.575
  187    HA   PRO  25           HA       PRO  25  -8.834   0.615 -10.162
  188   1HB   PRO  25          2HB       PRO  25  -8.317   2.613 -11.980
  189   2HB   PRO  25          1HB       PRO  25  -7.102   1.965 -10.865
  190   1HG   PRO  25          2HG       PRO  25  -7.408   1.483 -13.796
  191   2HG   PRO  25          1HG       PRO  25  -5.945   1.441 -12.800
  192   1HD   PRO  25          2HD       PRO  25  -7.375  -0.816 -13.704
  193   2HD   PRO  25          1HD       PRO  25  -6.159  -0.811 -12.410
  194    H    GLY  26           H        GLY  26 -11.003   1.088 -10.103
  195   1HA   GLY  26          2HA       GLY  26 -12.945   2.168 -11.175
  196   2HA   GLY  26          1HA       GLY  26 -12.439   1.432 -12.700
  197    H    GLU  27           H        GLU  27 -12.170  -0.546  -9.890
  198    HA   GLU  27           HA       GLU  27 -14.664  -1.986 -10.705
  199   1HB   GLU  27          2HB       GLU  27 -11.984  -3.051  -9.789
  200   2HB   GLU  27          1HB       GLU  27 -13.443  -4.042  -9.793
  201   1HG   GLU  27          2HG       GLU  27 -12.850  -2.533 -12.289
  202   2HG   GLU  27          1HG       GLU  27 -11.794  -3.897 -11.917
  203    H    ALA  28           H        ALA  28 -15.130  -3.645  -8.694
  204    HA   ALA  28           HA       ALA  28 -15.555  -1.829  -6.393
  205   1HB   ALA  28          3HB       ALA  28 -16.822  -4.308  -7.426
  206   2HB   ALA  28          2HB       ALA  28 -16.790  -4.131  -5.671
  207   3HB   ALA  28          1HB       ALA  28 -17.562  -2.898  -6.669
  208    H    VAL  29           H        VAL  29 -14.777  -2.302  -4.302
  209    HA   VAL  29           HA       VAL  29 -12.989  -4.667  -4.032
  210    HB   VAL  29           HB       VAL  29 -12.226  -1.822  -3.304
  211   1HG1  VAL  29          3HG1      VAL  29 -11.227  -4.470  -2.498
  212   2HG1  VAL  29          2HG1      VAL  29  -9.975  -3.401  -3.129
  213   3HG1  VAL  29          1HG1      VAL  29 -10.958  -2.893  -1.756
  214   1HG2  VAL  29          2HG2      VAL  29 -11.643  -3.623  -5.606
  215   2HG2  VAL  29          1HG2      VAL  29 -11.745  -1.863  -5.554
  216   3HG2  VAL  29          3HG2      VAL  29 -10.294  -2.679  -4.974
  217    H    LYS  30           H        LYS  30 -12.737  -5.363  -1.832
  218    HA   LYS  30           HA       LYS  30 -14.592  -4.029   0.101
  219   1HB   LYS  30          2HB       LYS  30 -14.284  -6.939  -0.605
  220   2HB   LYS  30          1HB       LYS  30 -14.828  -6.475   1.008
  221   1HG   LYS  30          2HG       LYS  30 -16.879  -6.553  -0.035
  222   2HG   LYS  30          1HG       LYS  30 -16.445  -4.889  -0.429
  223   1HD   LYS  30          2HD       LYS  30 -15.564  -5.595  -2.597
  224   2HD   LYS  30          1HD       LYS  30 -15.889  -7.284  -2.204
  225   1HE   LYS  30          2HE       LYS  30 -18.271  -6.882  -2.145
  226   2HE   LYS  30          1HE       LYS  30 -18.030  -5.143  -2.305
  227   1HZ   LYS  30          1HZ       LYS  30 -16.849  -5.727  -4.462
  228   2HZ   LYS  30          3HZ       LYS  30 -17.572  -7.255  -4.319
  229   3HZ   LYS  30          2HZ       LYS  30 -18.542  -5.866  -4.442
  230    H    ARG  31           H        ARG  31 -13.781  -3.792   2.182
  231    HA   ARG  31           HA       ARG  31 -11.090  -3.593   2.717
  232   1HB   ARG  31          2HB       ARG  31 -12.950  -2.911   4.262
  233   2HB   ARG  31          1HB       ARG  31 -13.111  -4.602   4.736
  234   1HG   ARG  31          2HG       ARG  31 -10.346  -3.608   4.841
  235   2HG   ARG  31          1HG       ARG  31 -11.439  -2.784   5.954
  236   1HD   ARG  31          2HD       ARG  31 -11.990  -5.606   6.009
  237   2HD   ARG  31          1HD       ARG  31 -10.266  -5.346   6.272
  238    HE   ARG  31           HE       ARG  31 -11.405  -3.502   7.955
  239   1HH1  ARG  31          2HH1      ARG  31 -13.187  -6.237   7.355
  240   2HH1  ARG  31          1HH1      ARG  31 -13.123  -6.868   8.966
  241   1HH2  ARG  31          1HH2      ARG  31 -10.759  -4.578  10.055
  242   2HH2  ARG  31          2HH2      ARG  31 -11.749  -5.929  10.495
  243    H    ASP  32           H        ASP  32  -9.516  -4.987   3.736
  244    HA   ASP  32           HA       ASP  32  -8.402  -7.028   4.052
  245   1HB   ASP  32          2HB       ASP  32 -10.543  -7.390   5.469
  246   2HB   ASP  32          1HB       ASP  32 -11.101  -8.374   4.115
  247    H    GLU  33           H        GLU  33  -8.805  -6.132   1.397
  248    HA   GLU  33           HA       GLU  33  -8.928  -8.762  -0.005
  249   1HB   GLU  33          2HB       GLU  33 -11.066  -7.636  -0.424
  250   2HB   GLU  33          1HB       GLU  33 -10.216  -6.181  -0.946
  251   1HG   GLU  33          2HG       GLU  33 -10.012  -7.010  -3.026
  252   2HG   GLU  33          1HG       GLU  33  -9.185  -8.437  -2.398
  253    H    LEU  34           H        LEU  34  -6.933  -9.046  -0.871
  254    HA   LEU  34           HA       LEU  34  -4.854  -7.255  -1.071
  255   1HB   LEU  34          2HB       LEU  34  -4.693  -9.681  -1.609
  256   2HB   LEU  34          1HB       LEU  34  -5.502  -9.369  -3.144
  257    HG   LEU  34           HG       LEU  34  -3.693  -7.894  -3.848
  258   1HD1  LEU  34          2HD1      LEU  34  -2.534  -8.499  -1.110
  259   2HD1  LEU  34          1HD1      LEU  34  -1.675  -7.652  -2.398
  260   3HD1  LEU  34          3HD1      LEU  34  -3.115  -6.933  -1.677
  261   1HD2  LEU  34          2HD2      LEU  34  -2.897 -10.601  -2.767
  262   2HD2  LEU  34          1HD2      LEU  34  -3.257 -10.152  -4.435
  263   3HD2  LEU  34          3HD2      LEU  34  -1.762  -9.603  -3.677
  264    H    ILE  35           H        ILE  35  -4.184  -5.671  -2.549
  265    HA   ILE  35           HA       ILE  35  -6.123  -5.022  -4.732
  266    HB   ILE  35           HB       ILE  35  -4.711  -3.162  -2.806
  267   1HG1  ILE  35          2HG1      ILE  35  -7.603  -3.735  -3.510
  268   2HG1  ILE  35          1HG1      ILE  35  -6.810  -3.981  -1.955
  269   1HG2  ILE  35          2HG2      ILE  35  -4.515  -2.305  -5.124
  270   2HG2  ILE  35          1HG2      ILE  35  -6.261  -2.463  -5.319
  271   3HG2  ILE  35          3HG2      ILE  35  -5.604  -1.312  -4.155
  272   1HD1  ILE  35          1HD1      ILE  35  -6.441  -1.537  -1.770
  273   2HD1  ILE  35          3HD1      ILE  35  -7.281  -1.306  -3.302
  274   3HD1  ILE  35          2HD1      ILE  35  -8.155  -1.927  -1.901
  275    H    VAL  36           H        VAL  36  -2.766  -4.595  -3.584
  276    HA   VAL  36           HA       VAL  36  -1.746  -5.202  -6.248
  277    HB   VAL  36           HB       VAL  36  -2.354  -2.847  -6.578
  278   1HG1  VAL  36          2HG1      VAL  36  -2.149  -2.367  -4.050
  279   2HG1  VAL  36          1HG1      VAL  36  -0.427  -2.147  -4.361
  280   3HG1  VAL  36          3HG1      VAL  36  -1.607  -1.103  -5.155
  281   1HG2  VAL  36          3HG2      VAL  36   0.223  -3.974  -6.895
  282   2HG2  VAL  36          2HG2      VAL  36  -0.465  -2.615  -7.786
  283   3HG2  VAL  36          1HG2      VAL  36   0.476  -2.324  -6.322
  284    H    ASP  37           H        ASP  37   0.492  -5.683  -6.177
  285    HA   ASP  37           HA       ASP  37   1.615  -5.800  -3.415
  286   1HB   ASP  37          2HB       ASP  37   1.920  -7.490  -5.870
  287   2HB   ASP  37          1HB       ASP  37   3.268  -7.408  -4.733
  288    H    ILE  38           H        ILE  38   3.968  -5.365  -3.216
  289    HA   ILE  38           HA       ILE  38   4.977  -3.525  -5.346
  290    HB   ILE  38           HB       ILE  38   4.169  -2.191  -3.443
  291   1HG1  ILE  38          2HG1      ILE  38   7.083  -2.045  -2.960
  292   2HG1  ILE  38          1HG1      ILE  38   6.615  -1.990  -4.660
  293   1HG2  ILE  38          1HG2      ILE  38   5.521  -4.327  -1.962
  294   2HG2  ILE  38          3HG2      ILE  38   5.951  -2.717  -1.383
  295   3HG2  ILE  38          2HG2      ILE  38   4.260  -3.216  -1.427
  296   1HD1  ILE  38          2HD1      ILE  38   4.993  -0.316  -2.826
  297   2HD1  ILE  38          1HD1      ILE  38   6.661   0.203  -3.063
  298   3HD1  ILE  38          3HD1      ILE  38   5.583   0.038  -4.449
  299    H    GLU  39           H        GLU  39   7.256  -3.570  -5.646
  300    HA   GLU  39           HA       GLU  39   8.582  -5.934  -4.392
  301   1HB   GLU  39          2HB       GLU  39   9.484  -4.449  -6.870
  302   2HB   GLU  39          1HB       GLU  39   9.979  -6.055  -6.332
  303   1HG   GLU  39          2HG       GLU  39   7.069  -5.756  -6.662
  304   2HG   GLU  39          1HG       GLU  39   7.982  -5.565  -8.159
  305    H    THR  40           H        THR  40  10.730  -5.685  -3.570
  306    HA   THR  40           HA       THR  40  11.694  -2.874  -3.309
  307    HB   THR  40           HB       THR  40  12.227  -4.462  -0.926
  308    HG1  THR  40           HG1      THR  40  10.154  -4.689  -0.240
  309   1HG2  THR  40          3HG2      THR  40  12.062  -1.826  -1.592
  310   2HG2  THR  40          2HG2      THR  40  10.498  -2.067  -0.815
  311   3HG2  THR  40          1HG2      THR  40  11.984  -2.426   0.064
  312    H    ASP  41           H        ASP  41  13.998  -3.175  -2.007
  313    HA   ASP  41           HA       ASP  41  15.869  -4.123  -3.786
  314   1HB   ASP  41          2HB       ASP  41  16.078  -3.010  -1.360
  315   2HB   ASP  41          1HB       ASP  41  16.451  -4.676  -0.913
  316    H    LYS  42           H        LYS  42  15.074  -6.041  -0.870
  317    HA   LYS  42           HA       LYS  42  15.110  -8.480  -2.587
  318   1HB   LYS  42          2HB       LYS  42  16.474  -8.283   0.113
  319   2HB   LYS  42          1HB       LYS  42  16.502  -9.656  -0.995
  320   1HG   LYS  42          2HG       LYS  42  17.448  -7.816  -2.677
  321   2HG   LYS  42          1HG       LYS  42  17.953  -7.049  -1.171
  322   1HD   LYS  42          2HD       LYS  42  18.497  -9.935  -1.251
  323   2HD   LYS  42          1HD       LYS  42  19.364  -9.019  -2.485
  324   1HE   LYS  42          2HE       LYS  42  19.297  -8.049   0.365
  325   2HE   LYS  42          1HE       LYS  42  20.459  -9.278  -0.132
  326   1HZ   LYS  42          3HZ       LYS  42  20.868  -7.596  -2.068
  327   2HZ   LYS  42          2HZ       LYS  42  20.249  -6.472  -0.955
  328   3HZ   LYS  42          1HZ       LYS  42  21.628  -7.385  -0.567
  329    H    VAL  43           H        VAL  43  12.858  -7.029  -1.497
  330    HA   VAL  43           HA       VAL  43  11.642  -9.240   0.030
  331    HB   VAL  43           HB       VAL  43  11.734  -6.404   1.107
  332   1HG1  VAL  43          3HG1      VAL  43  10.343  -8.920   2.070
  333   2HG1  VAL  43          2HG1      VAL  43  10.539  -7.470   3.055
  334   3HG1  VAL  43          1HG1      VAL  43   9.581  -7.408   1.575
  335   1HG2  VAL  43          2HG2      VAL  43  12.946  -9.003   2.102
  336   2HG2  VAL  43          1HG2      VAL  43  13.831  -7.606   1.491
  337   3HG2  VAL  43          3HG2      VAL  43  12.937  -7.490   3.007
  338    H    VAL  44           H        VAL  44   9.306  -9.140  -0.030
  339    HA   VAL  44           HA       VAL  44   8.243  -7.121  -1.968
  340    HB   VAL  44           HB       VAL  44   8.448  -9.428  -2.938
  341   1HG1  VAL  44          3HG1      VAL  44   7.797 -10.369  -0.533
  342   2HG1  VAL  44          2HG1      VAL  44   6.168 -10.289  -1.205
  343   3HG1  VAL  44          1HG1      VAL  44   7.402 -11.266  -1.999
  344   1HG2  VAL  44          2HG2      VAL  44   5.712  -8.205  -2.512
  345   2HG2  VAL  44          1HG2      VAL  44   6.778  -8.014  -3.903
  346   3HG2  VAL  44          3HG2      VAL  44   5.981  -9.559  -3.609
  347    H    MET  45           H        MET  45   6.491  -6.001  -1.228
  348    HA   MET  45           HA       MET  45   5.249  -6.949   1.319
  349   1HB   MET  45          2HB       MET  45   5.789  -4.243   0.151
  350   2HB   MET  45          1HB       MET  45   4.395  -4.435   1.216
  351   1HG   MET  45          2HG       MET  45   5.717  -4.513   3.038
  352   2HG   MET  45          1HG       MET  45   6.710  -5.782   2.322
  353   1HE   MET  45          2HE       MET  45   6.401  -2.788   3.783
  354   2HE   MET  45          1HE       MET  45   8.100  -3.060   4.164
  355   3HE   MET  45          3HE       MET  45   7.614  -1.631   3.241
  356    H    GLU  46           H        GLU  46   2.855  -6.002   1.448
  357    HA   GLU  46           HA       GLU  46   1.520  -6.471  -1.183
  358   1HB   GLU  46          2HB       GLU  46   0.408  -7.448   1.455
  359   2HB   GLU  46          1HB       GLU  46  -0.118  -7.881  -0.173
  360   1HG   GLU  46          2HG       GLU  46   1.235  -9.683   0.032
  361   2HG   GLU  46          1HG       GLU  46   2.571  -8.553  -0.187
  362    H    VAL  47           H        VAL  47  -0.485  -5.330  -1.445
  363    HA   VAL  47           HA       VAL  47  -0.944  -3.197   0.604
  364    HB   VAL  47           HB       VAL  47  -1.297  -2.960  -2.401
  365   1HG1  VAL  47          1HG1      VAL  47  -1.956  -1.258  -0.056
  366   2HG1  VAL  47          3HG1      VAL  47  -1.217  -0.433  -1.429
  367   3HG1  VAL  47          2HG1      VAL  47  -2.719  -1.332  -1.645
  368   1HG2  VAL  47          2HG2      VAL  47   0.949  -2.302  -0.530
  369   2HG2  VAL  47          1HG2      VAL  47   1.014  -2.902  -2.186
  370   3HG2  VAL  47          3HG2      VAL  47   0.634  -1.208  -1.877
  371    H    LEU  48           H        LEU  48  -2.715  -4.147   1.628
  372    HA   LEU  48           HA       LEU  48  -4.930  -5.204  -0.022
  373   1HB   LEU  48          2HB       LEU  48  -3.964  -5.613   2.666
  374   2HB   LEU  48          1HB       LEU  48  -5.664  -5.147   2.712
  375    HG   LEU  48           HG       LEU  48  -6.029  -6.885   0.861
  376   1HD1  LEU  48          3HD1      LEU  48  -3.465  -7.006   0.490
  377   2HD1  LEU  48          2HD1      LEU  48  -3.452  -8.055   1.908
  378   3HD1  LEU  48          1HD1      LEU  48  -4.369  -8.521   0.475
  379   1HD2  LEU  48          2HD2      LEU  48  -6.350  -7.064   3.494
  380   2HD2  LEU  48          1HD2      LEU  48  -6.548  -8.483   2.464
  381   3HD2  LEU  48          3HD2      LEU  48  -5.041  -8.237   3.347
  382    H    ALA  49           H        ALA  49  -7.201  -4.463   0.654
  383    HA   ALA  49           HA       ALA  49  -7.255  -1.524   0.548
  384   1HB   ALA  49          3HB       ALA  49  -8.787  -3.258  -0.723
  385   2HB   ALA  49          2HB       ALA  49  -9.723  -3.219   0.771
  386   3HB   ALA  49          1HB       ALA  49  -9.468  -1.736  -0.148
  387    H    GLU  50           H        GLU  50  -7.865  -0.199   2.234
  388    HA   GLU  50           HA       GLU  50  -8.278  -1.520   4.865
  389   1HB   GLU  50          2HB       GLU  50  -6.895   0.844   3.976
  390   2HB   GLU  50          1HB       GLU  50  -8.125   1.299   5.156
  391   1HG   GLU  50          2HG       GLU  50  -6.150  -0.957   5.588
  392   2HG   GLU  50          1HG       GLU  50  -5.893   0.689   6.169
  393    H    ALA  51           H        ALA  51 -10.291  -0.854   2.538
  394    HA   ALA  51           HA       ALA  51 -12.613  -0.599   4.109
  395   1HB   ALA  51          3HB       ALA  51 -11.524   2.045   3.109
  396   2HB   ALA  51          2HB       ALA  51 -13.204   1.813   3.592
  397   3HB   ALA  51          1HB       ALA  51 -11.909   1.608   4.773
  398    H    ASP  52           H        ASP  52 -14.334  -1.075   2.790
  399    HA   ASP  52           HA       ASP  52 -13.972  -1.770   0.083
  400   1HB   ASP  52          2HB       ASP  52 -15.894  -2.711   0.924
  401   2HB   ASP  52          1HB       ASP  52 -16.336  -1.276   1.841
  402    H    GLY  53           H        GLY  53 -15.255  -0.694  -1.761
  403   1HA   GLY  53          2HA       GLY  53 -16.161   1.758  -2.207
  404   2HA   GLY  53          1HA       GLY  53 -14.496   2.181  -1.792
  405    H    VAL  54           H        VAL  54 -14.172   2.994  -3.963
  406    HA   VAL  54           HA       VAL  54 -13.642   0.800  -5.910
  407    HB   VAL  54           HB       VAL  54 -15.100   3.400  -6.463
  408   1HG1  VAL  54          3HG1      VAL  54 -13.586   1.534  -8.234
  409   2HG1  VAL  54          2HG1      VAL  54 -15.121   2.159  -8.837
  410   3HG1  VAL  54          1HG1      VAL  54 -13.831   3.274  -8.385
  411   1HG2  VAL  54          3HG2      VAL  54 -15.807   0.467  -6.546
  412   2HG2  VAL  54          2HG2      VAL  54 -16.666   1.782  -5.743
  413   3HG2  VAL  54          1HG2      VAL  54 -16.708   1.643  -7.501
  414    H    ILE  55           H        ILE  55 -11.668   1.016  -6.904
  415    HA   ILE  55           HA       ILE  55  -9.774   2.928  -5.956
  416    HB   ILE  55           HB       ILE  55  -9.668   1.364  -8.551
  417   1HG1  ILE  55          2HG1      ILE  55 -10.162   0.028  -6.426
  418   2HG1  ILE  55          1HG1      ILE  55  -8.712  -0.444  -7.310
  419   1HG2  ILE  55          2HG2      ILE  55  -7.618   2.743  -6.814
  420   2HG2  ILE  55          1HG2      ILE  55  -7.164   1.464  -7.941
  421   3HG2  ILE  55          3HG2      ILE  55  -7.902   2.949  -8.542
  422   1HD1  ILE  55          1HD1      ILE  55  -8.404   1.659  -5.219
  423   2HD1  ILE  55          3HD1      ILE  55  -8.676   0.006  -4.666
  424   3HD1  ILE  55          2HD1      ILE  55  -7.292   0.375  -5.694
  425    H    ALA  56           H        ALA  56  -8.580   4.468  -7.500
  426    HA   ALA  56           HA       ALA  56 -10.633   6.042  -8.977
  427   1HB   ALA  56          3HB       ALA  56  -9.377   7.222  -7.204
  428   2HB   ALA  56          2HB       ALA  56  -7.863   6.837  -8.024
  429   3HB   ALA  56          1HB       ALA  56  -9.035   7.911  -8.791
  430    H    GLU  57           H        GLU  57  -7.128   5.372  -9.350
  431    HA   GLU  57           HA       GLU  57  -7.368   4.225 -11.954
  432   1HB   GLU  57          2HB       GLU  57  -7.549   7.109 -11.856
  433   2HB   GLU  57          1HB       GLU  57  -6.091   6.624 -12.722
  434   1HG   GLU  57          2HG       GLU  57  -7.699   4.911 -13.902
  435   2HG   GLU  57          1HG       GLU  57  -8.962   6.021 -13.367
  436    H    ILE  58           H        ILE  58  -5.454   3.188 -12.330
  437    HA   ILE  58           HA       ILE  58  -3.176   3.822 -10.557
  438    HB   ILE  58           HB       ILE  58  -3.421   1.611 -12.617
  439   1HG1  ILE  58          2HG1      ILE  58  -5.236   1.305 -11.077
  440   2HG1  ILE  58          1HG1      ILE  58  -3.951   0.214 -10.548
  441   1HG2  ILE  58          3HG2      ILE  58  -1.129   2.118 -11.841
  442   2HG2  ILE  58          2HG2      ILE  58  -1.661   1.947 -10.169
  443   3HG2  ILE  58          1HG2      ILE  58  -1.670   0.550 -11.243
  444   1HD1  ILE  58          2HD1      ILE  58  -3.196   2.017  -8.950
  445   2HD1  ILE  58          1HD1      ILE  58  -4.646   2.924  -9.382
  446   3HD1  ILE  58          3HD1      ILE  58  -4.790   1.354  -8.591
  447    H    VAL  59           H        VAL  59  -1.494   5.050 -11.247
  448    HA   VAL  59           HA       VAL  59  -1.373   5.824 -14.095
  449    HB   VAL  59           HB       VAL  59   0.339   6.740 -11.764
  450   1HG1  VAL  59          3HG1      VAL  59   0.749   7.046 -14.482
  451   2HG1  VAL  59          2HG1      VAL  59  -0.108   8.526 -14.050
  452   3HG1  VAL  59          1HG1      VAL  59   1.396   8.107 -13.230
  453   1HG2  VAL  59          1HG2      VAL  59  -2.397   7.194 -12.233
  454   2HG2  VAL  59          3HG2      VAL  59  -1.351   8.100 -11.140
  455   3HG2  VAL  59          2HG2      VAL  59  -1.584   8.654 -12.798
  456    H    LYS  60           H        LYS  60   0.473   3.978 -11.722
  457    HA   LYS  60           HA       LYS  60   2.623   3.502 -13.708
  458   1HB   LYS  60          2HB       LYS  60   2.475   3.556 -10.847
  459   2HB   LYS  60          1HB       LYS  60   2.998   1.947 -11.347
  460   1HG   LYS  60          2HG       LYS  60   4.992   3.252 -11.158
  461   2HG   LYS  60          1HG       LYS  60   4.667   3.113 -12.886
  462   1HD   LYS  60          2HD       LYS  60   3.283   5.346 -12.438
  463   2HD   LYS  60          1HD       LYS  60   4.416   5.493 -11.094
  464   1HE   LYS  60          2HE       LYS  60   6.250   5.720 -12.483
  465   2HE   LYS  60          1HE       LYS  60   5.515   4.783 -13.782
  466   1HZ   LYS  60          3HZ       LYS  60   4.041   7.157 -13.208
  467   2HZ   LYS  60          2HZ       LYS  60   5.650   7.507 -13.627
  468   3HZ   LYS  60          1HZ       LYS  60   4.670   6.609 -14.685
  469    H    ASN  61           H        ASN  61   3.002   1.458 -14.613
  470    HA   ASN  61           HA       ASN  61   0.808  -0.528 -14.192
  471   1HB   ASN  61          2HB       ASN  61   2.603  -0.042 -16.589
  472   2HB   ASN  61          1HB       ASN  61   1.448  -1.370 -16.466
  473   1HD2  ASN  61          2HD2      ASN  61   0.124   2.364 -17.362
  474   2HD2  ASN  61          1HD2      ASN  61   1.780   2.052 -17.093
  475    H    GLU  62           H        GLU  62   1.530  -2.846 -14.469
  476    HA   GLU  62           HA       GLU  62   3.641  -3.487 -12.681
  477   1HB   GLU  62          2HB       GLU  62   2.522  -5.236 -14.892
  478   2HB   GLU  62          1HB       GLU  62   3.365  -5.787 -13.444
  479   1HG   GLU  62          2HG       GLU  62   1.593  -5.051 -12.015
  480   2HG   GLU  62          1HG       GLU  62   0.823  -4.150 -13.326
  481    H    GLY  63           H        GLY  63   5.790  -4.166 -13.060
  482   1HA   GLY  63          2HA       GLY  63   7.742  -4.590 -14.362
  483   2HA   GLY  63          1HA       GLY  63   6.824  -4.190 -15.819
  484    H    ASP  64           H        ASP  64   6.292  -1.858 -13.453
  485    HA   ASP  64           HA       ASP  64   8.259  -0.059 -14.787
  486   1HB   ASP  64          2HB       ASP  64   6.248   1.012 -15.088
  487   2HB   ASP  64          1HB       ASP  64   5.530   0.325 -13.632
  488    H    THR  65           H        THR  65   9.044   1.740 -13.260
  489    HA   THR  65           HA       THR  65   9.887   0.453 -10.697
  490    HB   THR  65           HB       THR  65  11.202   2.817 -12.054
  491    HG1  THR  65           HG1      THR  65  12.156   1.476 -13.344
  492   1HG2  THR  65          2HG2      THR  65  11.593   2.209  -9.581
  493   2HG2  THR  65          1HG2      THR  65  12.412   0.771 -10.195
  494   3HG2  THR  65          3HG2      THR  65  13.021   2.376 -10.603
  495    H    VAL  66           H        VAL  66   9.679   1.628  -8.755
  496    HA   VAL  66           HA       VAL  66   7.994   4.093  -8.964
  497    HB   VAL  66           HB       VAL  66   7.312   3.438  -6.574
  498   1HG1  VAL  66          1HG1      VAL  66   6.573   2.043  -9.115
  499   2HG1  VAL  66          3HG1      VAL  66   5.901   1.427  -7.606
  500   3HG1  VAL  66          2HG1      VAL  66   5.597   3.095  -8.090
  501   1HG2  VAL  66          3HG2      VAL  66   9.305   1.734  -6.556
  502   2HG2  VAL  66          2HG2      VAL  66   7.785   1.277  -5.790
  503   3HG2  VAL  66          1HG2      VAL  66   8.176   0.674  -7.401
  504    H    LEU  67           H        LEU  67   8.719   5.921  -7.910
  505    HA   LEU  67           HA       LEU  67  11.359   5.682  -6.536
  506   1HB   LEU  67          2HB       LEU  67  10.278   7.539  -8.461
  507   2HB   LEU  67          1HB       LEU  67  10.726   8.403  -6.990
  508    HG   LEU  67           HG       LEU  67  12.771   6.484  -7.553
  509   1HD1  LEU  67          1HD1      LEU  67  11.514   7.519  -9.922
  510   2HD1  LEU  67          3HD1      LEU  67  13.131   8.209  -9.784
  511   3HD1  LEU  67          2HD1      LEU  67  12.918   6.459  -9.797
  512   1HD2  LEU  67          2HD2      LEU  67  12.498   9.108  -6.658
  513   2HD2  LEU  67          1HD2      LEU  67  14.022   8.251  -6.894
  514   3HD2  LEU  67          3HD2      LEU  67  13.378   9.276  -8.178
  515    H    SER  68           H        SER  68  11.605   7.541  -4.810
  516    HA   SER  68           HA       SER  68   9.743   7.024  -2.710
  517   1HB   SER  68          2HB       SER  68  11.772   7.772  -1.877
  518   2HB   SER  68          1HB       SER  68  11.972   8.971  -3.152
  519    HG   SER  68           HG       SER  68  10.487   9.082  -0.777
  520    H    GLY  69           H        GLY  69   7.781   7.931  -2.290
  521   1HA   GLY  69          2HA       GLY  69   6.047   9.535  -2.291
  522   2HA   GLY  69          1HA       GLY  69   7.154  10.669  -3.067
  523    H    GLU  70           H        GLU  70   6.797   7.537  -4.499
  524    HA   GLU  70           HA       GLU  70   5.726   8.748  -6.936
  525   1HB   GLU  70          2HB       GLU  70   7.406   6.897  -6.972
  526   2HB   GLU  70          1HB       GLU  70   6.187   5.820  -6.289
  527   1HG   GLU  70          2HG       GLU  70   5.842   5.383  -8.527
  528   2HG   GLU  70          1HG       GLU  70   4.755   6.760  -8.341
  529    H    LEU  71           H        LEU  71   3.584   9.328  -6.778
  530    HA   LEU  71           HA       LEU  71   1.665   7.717  -5.282
  531   1HB   LEU  71          2HB       LEU  71   1.536  10.236  -5.594
  532   2HB   LEU  71          1HB       LEU  71   1.065   9.925  -7.265
  533    HG   LEU  71           HG       LEU  71  -0.408   8.496  -5.086
  534   1HD1  LEU  71          1HD1      LEU  71  -0.226  10.959  -4.466
  535   2HD1  LEU  71          3HD1      LEU  71  -1.105  11.311  -5.953
  536   3HD1  LEU  71          2HD1      LEU  71  -1.868  10.354  -4.683
  537   1HD2  LEU  71          1HD2      LEU  71  -0.615   8.894  -7.909
  538   2HD2  LEU  71          3HD2      LEU  71  -1.670   7.939  -6.867
  539   3HD2  LEU  71          2HD2      LEU  71  -2.022   9.643  -7.154
  540    H    LEU  72           H        LEU  72   0.703   5.920  -6.085
  541    HA   LEU  72           HA       LEU  72   0.842   5.403  -8.998
  542   1HB   LEU  72          2HB       LEU  72  -0.209   3.604  -6.794
  543   2HB   LEU  72          1HB       LEU  72   0.215   3.129  -8.439
  544    HG   LEU  72           HG       LEU  72   2.496   4.432  -7.451
  545   1HD1  LEU  72          1HD1      LEU  72   1.093   3.832  -5.216
  546   2HD1  LEU  72          3HD1      LEU  72   1.936   2.301  -5.456
  547   3HD1  LEU  72          2HD1      LEU  72   2.856   3.796  -5.278
  548   1HD2  LEU  72          3HD2      LEU  72   1.758   1.512  -7.785
  549   2HD2  LEU  72          2HD2      LEU  72   2.601   2.544  -8.940
  550   3HD2  LEU  72          1HD2      LEU  72   3.401   2.055  -7.447
  551    H    GLY  73           H        GLY  73  -1.720   4.812  -6.567
  552   1HA   GLY  73          2HA       GLY  73  -3.639   6.210  -8.362
  553   2HA   GLY  73          1HA       GLY  73  -3.989   4.544  -7.885
  554    H    LYS  74           H        LYS  74  -5.941   5.971  -7.044
  555    HA   LYS  74           HA       LYS  74  -5.431   6.383  -4.148
  556   1HB   LYS  74          2HB       LYS  74  -5.264   8.619  -5.223
  557   2HB   LYS  74          1HB       LYS  74  -6.883   8.399  -5.891
  558   1HG   LYS  74          2HG       LYS  74  -7.538   7.926  -3.385
  559   2HG   LYS  74          1HG       LYS  74  -6.056   8.815  -3.035
  560   1HD   LYS  74          2HD       LYS  74  -8.332   9.829  -4.765
  561   2HD   LYS  74          1HD       LYS  74  -8.022  10.322  -3.099
  562   1HE   LYS  74          2HE       LYS  74  -6.575  11.874  -3.839
  563   2HE   LYS  74          1HE       LYS  74  -5.578  10.597  -4.535
  564   1HZ   LYS  74          2HZ       LYS  74  -7.834  11.001  -6.162
  565   2HZ   LYS  74          1HZ       LYS  74  -7.094  12.504  -5.880
  566   3HZ   LYS  74          3HZ       LYS  74  -6.195  11.230  -6.548
  567    H    LEU  75           H        LEU  75  -7.200   5.799  -2.876
  568    HA   LEU  75           HA       LEU  75  -9.383   4.408  -4.304
  569   1HB   LEU  75          2HB       LEU  75  -8.177   3.378  -2.336
  570   2HB   LEU  75          1HB       LEU  75  -8.917   4.614  -1.317
  571    HG   LEU  75           HG       LEU  75 -11.011   3.541  -2.878
  572   1HD1  LEU  75          2HD1      LEU  75  -8.907   1.583  -2.316
  573   2HD1  LEU  75          1HD1      LEU  75 -10.467   1.117  -1.639
  574   3HD1  LEU  75          3HD1      LEU  75 -10.318   1.442  -3.366
  575   1HD2  LEU  75          3HD2      LEU  75 -10.270   3.959  -0.124
  576   2HD2  LEU  75          2HD2      LEU  75 -11.885   3.832  -0.820
  577   3HD2  LEU  75          1HD2      LEU  75 -11.039   2.380  -0.288
  578    H    THR  76           H        THR  76 -11.566   5.013  -4.129
  579    HA   THR  76           HA       THR  76 -12.036   7.833  -3.478
  580    HB   THR  76           HB       THR  76 -13.087   6.461  -5.415
  581    HG1  THR  76           HG1      THR  76 -14.706   7.891  -5.439
  582   1HG2  THR  76          2HG2      THR  76 -13.952   4.830  -3.438
  583   2HG2  THR  76          1HG2      THR  76 -15.345   5.902  -3.585
  584   3HG2  THR  76          3HG2      THR  76 -14.780   4.993  -4.987
  585    H    GLU  77           H        GLU  77 -14.698   7.566  -2.576
  586    HA   GLU  77           HA       GLU  77 -14.338   7.520   0.238
  587   1HB   GLU  77          2HB       GLU  77 -16.836   7.161  -1.439
  588   2HB   GLU  77          1HB       GLU  77 -16.859   7.341   0.316
  589   1HG   GLU  77          2HG       GLU  77 -15.671   9.339  -1.633
  590   2HG   GLU  77          1HG       GLU  77 -17.223   9.513  -0.814
  591    H    GLY  78           H        GLY  78 -15.721   5.937   1.670
  592   1HA   GLY  78          2HA       GLY  78 -16.131   3.243   0.757
  593   2HA   GLY  78          1HA       GLY  78 -14.571   3.368   1.571
  594    H    GLY  79           HN       GLY  79 -14.805   4.746   3.734
  595   1HA   GLY  79          2HA       GLY  79 -17.199   3.665   5.168
  596   2HA   GLY  79          1HA       GLY  79 -15.609   3.812   5.916
   
  No H/Q in entry =         596
  Start of MODEL   13
    1   1H    ALA   1          3H        ALA   1  -9.847   6.098   0.495
    2   2H    ALA   1          2H        ALA   1 -10.890   5.834   1.811
    3   3H    ALA   1          1H        ALA   1 -10.906   7.325   0.996
    4    HA   ALA   1           HA       ALA   1  -8.929   8.028   1.909
    5   1HB   ALA   1          3HB       ALA   1 -10.337   6.260   3.927
    6   2HB   ALA   1          2HB       ALA   1  -9.064   7.402   4.358
    7   3HB   ALA   1          1HB       ALA   1 -10.579   7.987   3.669
    8    H    ILE   2           H        ILE   2  -7.891   6.139   0.302
    9    HA   ILE   2           HA       ILE   2  -5.826   4.905   2.025
   10    HB   ILE   2           HB       ILE   2  -7.600   3.362   0.116
   11   1HG1  ILE   2          2HG1      ILE   2  -7.334   1.901   2.406
   12   2HG1  ILE   2          1HG1      ILE   2  -7.215   3.540   3.047
   13   1HG2  ILE   2          3HG2      ILE   2  -4.818   2.854   1.084
   14   2HG2  ILE   2          2HG2      ILE   2  -5.922   1.481   1.004
   15   3HG2  ILE   2          1HG2      ILE   2  -5.569   2.416  -0.451
   16   1HD1  ILE   2          2HD1      ILE   2  -9.302   4.030   1.576
   17   2HD1  ILE   2          1HD1      ILE   2  -9.489   2.277   1.526
   18   3HD1  ILE   2          3HD1      ILE   2  -9.532   3.124   3.072
   19    H    ASP   3           H        ASP   3  -4.434   6.478   1.028
   20    HA   ASP   3           HA       ASP   3  -4.160   6.507  -1.892
   21   1HB   ASP   3          2HB       ASP   3  -3.797   8.585  -0.673
   22   2HB   ASP   3          1HB       ASP   3  -2.540   7.824   0.311
   23    H    ILE   4           H        ILE   4  -2.201   5.850  -3.000
   24    HA   ILE   4           HA       ILE   4  -0.498   3.944  -1.454
   25    HB   ILE   4           HB       ILE   4  -1.467   3.488  -4.289
   26   1HG1  ILE   4          2HG1      ILE   4  -2.395   1.869  -1.941
   27   2HG1  ILE   4          1HG1      ILE   4  -3.173   3.419  -2.258
   28   1HG2  ILE   4          3HG2      ILE   4   0.242   2.003  -2.321
   29   2HG2  ILE   4          2HG2      ILE   4  -0.734   1.085  -3.467
   30   3HG2  ILE   4          1HG2      ILE   4   0.475   2.226  -4.055
   31   1HD1  ILE   4          3HD1      ILE   4  -3.040   2.261  -4.773
   32   2HD1  ILE   4          2HD1      ILE   4  -3.399   0.893  -3.721
   33   3HD1  ILE   4          1HD1      ILE   4  -4.466   2.297  -3.735
   34    H    LYS   5           H        LYS   5   1.604   4.541  -1.618
   35    HA   LYS   5           HA       LYS   5   2.591   5.642  -4.190
   36   1HB   LYS   5          2HB       LYS   5   3.688   7.529  -3.088
   37   2HB   LYS   5          1HB       LYS   5   1.953   7.592  -2.773
   38   1HG   LYS   5          2HG       LYS   5   3.481   6.017  -0.804
   39   2HG   LYS   5          1HG       LYS   5   3.884   7.734  -0.829
   40   1HD   LYS   5          2HD       LYS   5   1.180   7.887  -0.961
   41   2HD   LYS   5          1HD       LYS   5   1.359   6.399  -0.031
   42   1HE   LYS   5          2HE       LYS   5   2.494   7.473   1.717
   43   2HE   LYS   5          1HE       LYS   5   2.961   8.838   0.702
   44   1HZ   LYS   5          2HZ       LYS   5   0.264   8.901   0.595
   45   2HZ   LYS   5          1HZ       LYS   5   0.542   8.406   2.196
   46   3HZ   LYS   5          3HZ       LYS   5   1.221   9.852   1.628
   47    H    ALA   6           H        ALA   6   5.034   5.711  -4.183
   48    HA   ALA   6           HA       ALA   6   6.092   3.228  -3.186
   49   1HB   ALA   6          3HB       ALA   6   6.963   4.356  -5.217
   50   2HB   ALA   6          2HB       ALA   6   7.579   5.668  -4.211
   51   3HB   ALA   6          1HB       ALA   6   8.246   4.043  -4.048
   52    HA   PRO   7           HA       PRO   7   7.337   4.500   0.836
   53   1HB   PRO   7          2HB       PRO   7   9.186   2.518   1.295
   54   2HB   PRO   7          1HB       PRO   7   7.434   2.255   1.354
   55   1HG   PRO   7          2HG       PRO   7   9.384   1.442  -0.752
   56   2HG   PRO   7          1HG       PRO   7   7.830   0.711  -0.319
   57   1HD   PRO   7          2HD       PRO   7   8.305   2.408  -2.535
   58   2HD   PRO   7          1HD       PRO   7   6.711   1.938  -1.899
   59    H    THR   8           H        THR   8   9.738   4.494   2.032
   60    HA   THR   8           HA       THR   8  11.373   6.270   0.298
   61    HB   THR   8           HB       THR   8  12.159   5.902   3.123
   62    HG1  THR   8           HG1      THR   8  10.335   7.286   3.721
   63   1HG2  THR   8          1HG2      THR   8  11.694   8.177   1.200
   64   2HG2  THR   8          3HG2      THR   8  11.970   8.471   2.918
   65   3HG2  THR   8          2HG2      THR   8  13.205   7.664   1.951
   66    H    PHE   9           H        PHE   9  12.605   4.818  -0.929
   67    HA   PHE   9           HA       PHE   9  13.799   2.425   0.038
   68   1HB   PHE   9          2HB       PHE   9  14.893   4.242  -2.130
   69   2HB   PHE   9          1HB       PHE   9  15.198   2.511  -1.942
   70    HD1  PHE   9           HD2      PHE   9  12.614   1.367  -1.339
   71    HD2  PHE   9           HD1      PHE   9  13.590   4.555  -4.050
   72    HE1  PHE   9           HE2      PHE   9  10.578   0.864  -2.665
   73    HE2  PHE   9           HE1      PHE   9  11.554   4.052  -5.376
   74    HZ   PHE   9           HZ       PHE   9  10.048   2.206  -4.683
   75    HA   PRO  10           HA       PRO  10  17.113   3.967   2.480
   76   1HB   PRO  10          2HB       PRO  10  18.704   1.726   2.418
   77   2HB   PRO  10          1HB       PRO  10  17.230   1.853   3.393
   78   1HG   PRO  10          2HG       PRO  10  17.680   0.345   0.859
   79   2HG   PRO  10          1HG       PRO  10  16.519   0.032   2.160
   80   1HD   PRO  10          2HD       PRO  10  15.933   1.249  -0.330
   81   2HD   PRO  10          1HD       PRO  10  14.874   1.226   1.099
   82    H    GLU  11           H        GLU  11  19.805   3.430   2.248
   83    HA   GLU  11           HA       GLU  11  20.560   5.019  -0.056
   84   1HB   GLU  11          2HB       GLU  11  21.816   5.162   2.049
   85   2HB   GLU  11          1HB       GLU  11  22.262   3.461   1.914
   86   1HG   GLU  11          2HG       GLU  11  23.077   4.371  -0.516
   87   2HG   GLU  11          1HG       GLU  11  23.334   5.813   0.468
   88    H    SER  12           H        SER  12  20.903   1.584   0.823
   89    HA   SER  12           HA       SER  12  22.487   0.601  -1.200
   90   1HB   SER  12          2HB       SER  12  21.674  -1.050   0.237
   91   2HB   SER  12          1HB       SER  12  20.009  -0.484   0.103
   92    HG   SER  12           HG       SER  12  19.834  -1.981  -1.358
   93    H    ILE  13           H        ILE  13  18.922   0.749  -1.553
   94    HA   ILE  13           HA       ILE  13  19.349   1.004  -4.495
   95    HB   ILE  13           HB       ILE  13  16.753   0.368  -3.076
   96   1HG1  ILE  13          2HG1      ILE  13  18.278  -1.364  -2.402
   97   2HG1  ILE  13          1HG1      ILE  13  17.324  -2.026  -3.730
   98   1HG2  ILE  13          3HG2      ILE  13  17.465   0.907  -5.767
   99   2HG2  ILE  13          2HG2      ILE  13  17.147  -0.825  -5.669
  100   3HG2  ILE  13          1HG2      ILE  13  15.913   0.329  -5.163
  101   1HD1  ILE  13          1HD1      ILE  13  19.186  -1.274  -5.290
  102   2HD1  ILE  13          3HD1      ILE  13  20.148  -0.946  -3.848
  103   3HD1  ILE  13          2HD1      ILE  13  19.608  -2.589  -4.193
  104    H    ALA  14           H        ALA  14  18.359   2.718  -5.629
  105    HA   ALA  14           HA       ALA  14  17.286   4.903  -3.890
  106   1HB   ALA  14          2HB       ALA  14  19.494   5.025  -5.488
  107   2HB   ALA  14          1HB       ALA  14  18.249   5.592  -6.601
  108   3HB   ALA  14          3HB       ALA  14  18.508   6.426  -5.069
  109    H    ASP  15           H        ASP  15  15.916   2.597  -5.381
  110    HA   ASP  15           HA       ASP  15  13.687   4.199  -6.376
  111   1HB   ASP  15          2HB       ASP  15  13.815   2.793  -8.614
  112   2HB   ASP  15          1HB       ASP  15  14.716   4.301  -8.460
  113    H    GLY  16           H        GLY  16  12.173   2.360  -7.630
  114   1HA   GLY  16          2HA       GLY  16  12.320  -0.203  -6.170
  115   2HA   GLY  16          1HA       GLY  16  10.911   0.802  -5.833
  116    H    THR  17           H        THR  17  10.048  -1.403  -6.831
  117    HA   THR  17           HA       THR  17   9.318  -0.755  -9.620
  118    HB   THR  17           HB       THR  17  10.431  -3.482  -8.902
  119    HG1  THR  17           HG1      THR  17  12.256  -2.458  -9.085
  120   1HG2  THR  17          1HG2      THR  17   8.697  -3.139 -10.788
  121   2HG2  THR  17          3HG2      THR  17   9.994  -2.300 -11.641
  122   3HG2  THR  17          2HG2      THR  17  10.186  -3.995 -11.192
  123    H    VAL  18           H        VAL  18   7.140  -0.983  -9.713
  124    HA   VAL  18           HA       VAL  18   5.468  -1.910  -7.699
  125    HB   VAL  18           HB       VAL  18   4.945  -2.240 -10.669
  126   1HG1  VAL  18          3HG1      VAL  18   3.259  -2.285  -8.188
  127   2HG1  VAL  18          2HG1      VAL  18   2.566  -1.651  -9.681
  128   3HG1  VAL  18          1HG1      VAL  18   3.164  -3.309  -9.621
  129   1HG2  VAL  18          3HG2      VAL  18   5.460   0.110  -9.137
  130   2HG2  VAL  18          2HG2      VAL  18   4.917   0.008 -10.812
  131   3HG2  VAL  18          1HG2      VAL  18   3.736   0.087  -9.506
  132    H    ALA  19           H        ALA  19   4.061  -3.960  -7.787
  133    HA   ALA  19           HA       ALA  19   5.836  -6.286  -8.401
  134   1HB   ALA  19          2HB       ALA  19   5.219  -5.924  -5.992
  135   2HB   ALA  19          1HB       ALA  19   3.530  -6.165  -6.437
  136   3HB   ALA  19          3HB       ALA  19   4.688  -7.482  -6.627
  137    H    THR  20           H        THR  20   2.316  -6.010  -7.850
  138    HA   THR  20           HA       THR  20   1.725  -6.705 -10.630
  139    HB   THR  20           HB       THR  20   1.378  -8.717  -8.395
  140    HG1  THR  20           HG1      THR  20   3.260  -9.041  -9.420
  141   1HG2  THR  20          1HG2      THR  20  -0.056  -8.420 -11.018
  142   2HG2  THR  20          3HG2      THR  20   0.249 -10.028 -10.363
  143   3HG2  THR  20          2HG2      THR  20  -0.707  -8.867  -9.442
  144    H    TRP  21           H        TRP  21  -0.208  -5.750 -11.101
  145    HA   TRP  21           HA       TRP  21  -1.861  -4.749  -8.883
  146   1HB   TRP  21          2HB       TRP  21  -1.577  -4.211 -11.804
  147   2HB   TRP  21          1HB       TRP  21  -3.143  -3.894 -11.062
  148    HD1  TRP  21           HD1      TRP  21   0.324  -2.523 -11.361
  149    HE1  TRP  21           HE1      TRP  21   0.533  -0.371  -9.945
  150    HE3  TRP  21           HE3      TRP  21  -4.048  -2.750  -8.736
  151    HZ2  TRP  21           HZ2      TRP  21  -0.932   1.047  -7.989
  152    HZ3  TRP  21           HZ3      TRP  21  -4.621  -0.977  -7.093
  153    HH2  TRP  21           HH2      TRP  21  -3.067   0.924  -6.716
  154    H    HIS  22           H        HIS  22  -2.666  -6.868  -8.210
  155    HA   HIS  22           HA       HIS  22  -3.907  -8.837  -9.720
  156   1HB   HIS  22          2HB       HIS  22  -5.447  -7.904  -7.326
  157   2HB   HIS  22          1HB       HIS  22  -4.998  -9.545  -7.801
  158    HD1  HIS  22           HD1      HIS  22  -3.578  -6.433  -6.221
  159    HD2  HIS  22           HD2      HIS  22  -2.501 -10.415  -6.810
  160    HE1  HIS  22           HE1      HIS  22  -1.434  -6.786  -4.950
  161    H    LYS  23           H        LYS  23  -5.907  -6.274  -8.221
  162    HA   LYS  23           HA       LYS  23  -7.836  -6.594 -10.447
  163   1HB   LYS  23          2HB       LYS  23  -7.926  -5.330  -7.720
  164   2HB   LYS  23          1HB       LYS  23  -9.111  -4.863  -8.940
  165   1HG   LYS  23          2HG       LYS  23 -10.257  -6.656  -8.100
  166   2HG   LYS  23          1HG       LYS  23  -9.220  -7.553  -9.209
  167   1HD   LYS  23          2HD       LYS  23  -7.683  -8.116  -7.467
  168   2HD   LYS  23          1HD       LYS  23  -8.418  -6.963  -6.352
  169   1HE   LYS  23          2HE       LYS  23  -9.120  -9.290  -5.853
  170   2HE   LYS  23          1HE       LYS  23 -10.489  -8.281  -6.321
  171   1HZ   LYS  23          1HZ       LYS  23  -9.043  -9.783  -8.388
  172   2HZ   LYS  23          3HZ       LYS  23 -10.146 -10.605  -7.398
  173   3HZ   LYS  23          2HZ       LYS  23 -10.670  -9.298  -8.347
  174    H    LYS  24           H        LYS  24  -8.902  -4.315 -11.028
  175    HA   LYS  24           HA       LYS  24  -6.656  -2.415 -11.581
  176   1HB   LYS  24          2HB       LYS  24  -8.578  -3.707 -13.369
  177   2HB   LYS  24          1HB       LYS  24  -8.571  -1.951 -13.537
  178   1HG   LYS  24          2HG       LYS  24  -5.901  -2.428 -13.413
  179   2HG   LYS  24          1HG       LYS  24  -6.450  -3.917 -14.182
  180   1HD   LYS  24          2HD       LYS  24  -7.597  -2.641 -15.921
  181   2HD   LYS  24          1HD       LYS  24  -7.158  -1.126 -15.131
  182   1HE   LYS  24          2HE       LYS  24  -5.525  -1.371 -16.820
  183   2HE   LYS  24          1HE       LYS  24  -4.714  -1.945 -15.364
  184   1HZ   LYS  24          1HZ       LYS  24  -6.164  -3.754 -17.205
  185   2HZ   LYS  24          3HZ       LYS  24  -4.515  -3.401 -17.385
  186   3HZ   LYS  24          2HZ       LYS  24  -5.069  -4.172 -15.975
  187    HA   PRO  25           HA       PRO  25  -9.144   0.799  -9.934
  188   1HB   PRO  25          2HB       PRO  25  -8.659   2.856 -11.694
  189   2HB   PRO  25          1HB       PRO  25  -7.477   2.287 -10.502
  190   1HG   PRO  25          2HG       PRO  25  -7.546   1.823 -13.452
  191   2HG   PRO  25          1HG       PRO  25  -6.154   1.883 -12.359
  192   1HD   PRO  25          2HD       PRO  25  -7.330  -0.470 -13.375
  193   2HD   PRO  25          1HD       PRO  25  -6.218  -0.383 -11.993
  194    H    GLY  26           H        GLY  26 -11.359   0.827 -10.030
  195   1HA   GLY  26          2HA       GLY  26 -13.259   1.935 -11.295
  196   2HA   GLY  26          1HA       GLY  26 -12.639   1.097 -12.722
  197    H    GLU  27           H        GLU  27 -12.293  -0.794  -9.939
  198    HA   GLU  27           HA       GLU  27 -14.758  -2.323 -10.668
  199   1HB   GLU  27          2HB       GLU  27 -13.585  -4.314  -9.816
  200   2HB   GLU  27          1HB       GLU  27 -12.634  -3.533 -11.080
  201   1HG   GLU  27          2HG       GLU  27 -10.942  -3.639  -9.563
  202   2HG   GLU  27          1HG       GLU  27 -11.729  -2.229  -8.850
  203    H    ALA  28           H        ALA  28 -15.495  -3.722  -8.678
  204    HA   ALA  28           HA       ALA  28 -15.991  -1.832  -6.490
  205   1HB   ALA  28          3HB       ALA  28 -17.154  -4.339  -7.471
  206   2HB   ALA  28          2HB       ALA  28 -17.052  -4.273  -5.711
  207   3HB   ALA  28          1HB       ALA  28 -17.920  -3.015  -6.592
  208    H    VAL  29           H        VAL  29 -15.241  -2.066  -4.359
  209    HA   VAL  29           HA       VAL  29 -13.037  -4.058  -4.019
  210    HB   VAL  29           HB       VAL  29 -13.407  -1.513  -2.427
  211   1HG1  VAL  29          3HG1      VAL  29 -11.562  -3.748  -2.416
  212   2HG1  VAL  29          2HG1      VAL  29 -10.704  -2.239  -2.729
  213   3HG1  VAL  29          1HG1      VAL  29 -11.689  -2.407  -1.276
  214   1HG2  VAL  29          2HG2      VAL  29 -12.695  -1.787  -5.196
  215   2HG2  VAL  29          1HG2      VAL  29 -12.742  -0.320  -4.219
  216   3HG2  VAL  29          3HG2      VAL  29 -11.266  -1.284  -4.293
  217    H    LYS  30           H        LYS  30 -12.843  -5.028  -1.868
  218    HA   LYS  30           HA       LYS  30 -15.250  -4.800  -0.142
  219   1HB   LYS  30          2HB       LYS  30 -14.542  -7.099  -1.820
  220   2HB   LYS  30          1HB       LYS  30 -14.748  -7.522  -0.120
  221   1HG   LYS  30          2HG       LYS  30 -16.830  -5.698  -0.858
  222   2HG   LYS  30          1HG       LYS  30 -16.780  -7.000  -2.045
  223   1HD   LYS  30          2HD       LYS  30 -16.713  -7.541   0.927
  224   2HD   LYS  30          1HD       LYS  30 -18.229  -7.409   0.033
  225   1HE   LYS  30          2HE       LYS  30 -16.748  -9.107  -1.562
  226   2HE   LYS  30          1HE       LYS  30 -16.260  -9.590   0.063
  227   1HZ   LYS  30          1HZ       LYS  30 -19.068  -9.320  -0.868
  228   2HZ   LYS  30          3HZ       LYS  30 -18.230 -10.787  -0.711
  229   3HZ   LYS  30          2HZ       LYS  30 -18.565  -9.850   0.666
  230    H    ARG  31           H        ARG  31 -14.719  -4.944   2.013
  231    HA   ARG  31           HA       ARG  31 -12.176  -4.602   3.004
  232   1HB   ARG  31          2HB       ARG  31 -14.137  -4.434   4.443
  233   2HB   ARG  31          1HB       ARG  31 -14.429  -6.168   4.294
  234   1HG   ARG  31          2HG       ARG  31 -11.752  -5.947   5.117
  235   2HG   ARG  31          1HG       ARG  31 -12.631  -4.767   6.090
  236   1HD   ARG  31          2HD       ARG  31 -14.111  -7.263   5.848
  237   2HD   ARG  31          1HD       ARG  31 -12.513  -7.521   6.548
  238    HE   ARG  31           HE       ARG  31 -13.507  -5.323   7.923
  239   1HH1  ARG  31          2HH1      ARG  31 -15.559  -7.767   6.932
  240   2HH1  ARG  31          1HH1      ARG  31 -16.023  -8.274   8.522
  241   1HH2  ARG  31          1HH2      ARG  31 -13.669  -6.297  10.126
  242   2HH2  ARG  31          2HH2      ARG  31 -14.953  -7.441  10.330
  243    H    ASP  32           H        ASP  32 -10.430  -5.921   3.540
  244    HA   ASP  32           HA       ASP  32  -9.102  -7.861   3.610
  245   1HB   ASP  32          2HB       ASP  32 -11.201  -8.771   4.792
  246   2HB   ASP  32          1HB       ASP  32 -11.633  -9.468   3.230
  247    H    GLU  33           H        GLU  33  -9.234  -6.547   1.216
  248    HA   GLU  33           HA       GLU  33  -9.142  -8.811  -0.716
  249   1HB   GLU  33          2HB       GLU  33 -11.287  -7.669  -1.086
  250   2HB   GLU  33          1HB       GLU  33 -10.451  -6.122  -1.227
  251   1HG   GLU  33          2HG       GLU  33  -9.086  -7.703  -3.033
  252   2HG   GLU  33          1HG       GLU  33 -10.748  -8.270  -3.206
  253    H    LEU  34           H        LEU  34  -6.964  -8.840  -1.122
  254    HA   LEU  34           HA       LEU  34  -5.080  -6.847  -0.873
  255   1HB   LEU  34          2HB       LEU  34  -4.594  -9.203  -1.537
  256   2HB   LEU  34          1HB       LEU  34  -5.173  -8.833  -3.161
  257    HG   LEU  34           HG       LEU  34  -3.438  -7.127  -3.424
  258   1HD1  LEU  34          2HD1      LEU  34  -2.671  -7.931  -0.601
  259   2HD1  LEU  34          1HD1      LEU  34  -1.695  -6.898  -1.646
  260   3HD1  LEU  34          3HD1      LEU  34  -3.287  -6.360  -1.113
  261   1HD2  LEU  34          1HD2      LEU  34  -2.879  -9.466  -4.001
  262   2HD2  LEU  34          3HD2      LEU  34  -1.462  -8.610  -3.394
  263   3HD2  LEU  34          2HD2      LEU  34  -2.325  -9.740  -2.349
  264    H    ILE  35           H        ILE  35  -3.996  -5.524  -2.632
  265    HA   ILE  35           HA       ILE  35  -5.943  -4.619  -4.704
  266    HB   ILE  35           HB       ILE  35  -4.337  -2.858  -2.831
  267   1HG1  ILE  35          2HG1      ILE  35  -7.327  -3.060  -3.306
  268   2HG1  ILE  35          1HG1      ILE  35  -6.484  -3.831  -1.961
  269   1HG2  ILE  35          1HG2      ILE  35  -4.490  -2.139  -5.298
  270   2HG2  ILE  35          3HG2      ILE  35  -6.220  -1.948  -5.012
  271   3HG2  ILE  35          2HG2      ILE  35  -5.063  -0.981  -4.096
  272   1HD1  ILE  35          2HD1      ILE  35  -6.354  -0.858  -2.519
  273   2HD1  ILE  35          1HD1      ILE  35  -7.513  -1.586  -1.406
  274   3HD1  ILE  35          3HD1      ILE  35  -5.783  -1.702  -1.080
  275    H    VAL  36           H        VAL  36  -2.557  -4.414  -3.571
  276    HA   VAL  36           HA       VAL  36  -1.521  -5.181  -6.148
  277    HB   VAL  36           HB       VAL  36  -2.131  -2.968  -6.871
  278   1HG1  VAL  36          2HG1      VAL  36  -2.294  -2.147  -4.427
  279   2HG1  VAL  36          1HG1      VAL  36  -0.573  -1.792  -4.567
  280   3HG1  VAL  36          3HG1      VAL  36  -1.728  -0.989  -5.631
  281   1HG2  VAL  36          3HG2      VAL  36   0.544  -3.868  -6.731
  282   2HG2  VAL  36          2HG2      VAL  36  -0.125  -2.695  -7.864
  283   3HG2  VAL  36          1HG2      VAL  36   0.595  -2.147  -6.350
  284    H    ASP  37           H        ASP  37   0.685  -5.673  -5.983
  285    HA   ASP  37           HA       ASP  37   1.820  -5.396  -3.246
  286   1HB   ASP  37          2HB       ASP  37   2.188  -7.320  -5.505
  287   2HB   ASP  37          1HB       ASP  37   3.559  -7.043  -4.429
  288    H    ILE  38           H        ILE  38   4.258  -5.005  -3.194
  289    HA   ILE  38           HA       ILE  38   5.221  -3.371  -5.482
  290    HB   ILE  38           HB       ILE  38   4.103  -1.885  -3.742
  291   1HG1  ILE  38          2HG1      ILE  38   6.855  -0.959  -3.584
  292   2HG1  ILE  38          1HG1      ILE  38   6.486  -1.575  -5.195
  293   1HG2  ILE  38          2HG2      ILE  38   6.460  -2.895  -2.124
  294   2HG2  ILE  38          1HG2      ILE  38   5.508  -1.475  -1.694
  295   3HG2  ILE  38          3HG2      ILE  38   4.750  -3.068  -1.727
  296   1HD1  ILE  38          3HD1      ILE  38   4.242  -0.046  -4.306
  297   2HD1  ILE  38          2HD1      ILE  38   5.696   0.916  -4.041
  298   3HD1  ILE  38          1HD1      ILE  38   5.329   0.297  -5.651
  299    H    GLU  39           H        GLU  39   7.567  -3.088  -5.442
  300    HA   GLU  39           HA       GLU  39   8.935  -5.062  -3.655
  301   1HB   GLU  39          2HB       GLU  39   8.782  -5.049  -6.480
  302   2HB   GLU  39          1HB       GLU  39  10.419  -4.530  -6.075
  303   1HG   GLU  39          2HG       GLU  39  10.986  -6.558  -5.204
  304   2HG   GLU  39          1HG       GLU  39   9.398  -6.798  -4.476
  305    H    THR  40           H        THR  40  10.364  -4.084  -2.313
  306    HA   THR  40           HA       THR  40  11.345  -1.366  -3.037
  307    HB   THR  40           HB       THR  40  11.842  -1.089  -0.677
  308    HG1  THR  40           HG1      THR  40  12.018  -2.743   0.621
  309   1HG2  THR  40          2HG2      THR  40   9.166  -2.188  -1.450
  310   2HG2  THR  40          1HG2      THR  40   9.481  -1.841   0.250
  311   3HG2  THR  40          3HG2      THR  40   9.603  -0.554  -0.949
  312    H    ASP  41           H        ASP  41  13.587  -1.602  -1.137
  313    HA   ASP  41           HA       ASP  41  15.716  -2.190  -2.776
  314   1HB   ASP  41          2HB       ASP  41  16.045  -1.249  -0.552
  315   2HB   ASP  41          1HB       ASP  41  15.506  -2.753   0.196
  316    H    LYS  42           H        LYS  42  14.487  -4.561  -0.381
  317    HA   LYS  42           HA       LYS  42  14.814  -6.706  -2.387
  318   1HB   LYS  42          2HB       LYS  42  16.397  -6.523   0.182
  319   2HB   LYS  42          1HB       LYS  42  16.122  -8.058  -0.642
  320   1HG   LYS  42          2HG       LYS  42  16.952  -6.589  -2.743
  321   2HG   LYS  42          1HG       LYS  42  17.814  -5.750  -1.454
  322   1HD   LYS  42          2HD       LYS  42  19.049  -7.643  -0.864
  323   2HD   LYS  42          1HD       LYS  42  17.870  -8.752  -1.564
  324   1HE   LYS  42          2HE       LYS  42  18.876  -8.691  -3.582
  325   2HE   LYS  42          1HE       LYS  42  18.964  -6.930  -3.560
  326   1HZ   LYS  42          2HZ       LYS  42  20.787  -7.623  -1.707
  327   2HZ   LYS  42          1HZ       LYS  42  20.959  -8.879  -2.838
  328   3HZ   LYS  42          3HZ       LYS  42  21.146  -7.267  -3.330
  329    H    VAL  43           H        VAL  43  12.751  -5.323  -0.510
  330    HA   VAL  43           HA       VAL  43  11.695  -7.861   0.675
  331    HB   VAL  43           HB       VAL  43  10.831  -5.153   1.644
  332   1HG1  VAL  43          3HG1      VAL  43  10.627  -7.961   2.443
  333   2HG1  VAL  43          2HG1      VAL  43  11.169  -6.920   3.760
  334   3HG1  VAL  43          1HG1      VAL  43   9.646  -6.581   2.938
  335   1HG2  VAL  43          1HG2      VAL  43  13.488  -6.470   2.050
  336   2HG2  VAL  43          3HG2      VAL  43  13.089  -4.753   1.972
  337   3HG2  VAL  43          2HG2      VAL  43  12.738  -5.674   3.435
  338    H    VAL  44           H        VAL  44   9.189  -7.692   0.904
  339    HA   VAL  44           HA       VAL  44   8.060  -6.297  -1.487
  340    HB   VAL  44           HB       VAL  44   8.397  -8.796  -1.822
  341   1HG1  VAL  44          2HG1      VAL  44   7.656  -9.167   0.669
  342   2HG1  VAL  44          1HG1      VAL  44   6.027  -9.142  -0.006
  343   3HG1  VAL  44          3HG1      VAL  44   7.189 -10.348  -0.555
  344   1HG2  VAL  44          3HG2      VAL  44   6.332  -7.117  -2.579
  345   2HG2  VAL  44          2HG2      VAL  44   6.616  -8.731  -3.228
  346   3HG2  VAL  44          1HG2      VAL  44   5.474  -8.503  -1.904
  347    H    MET  45           H        MET  45   6.353  -5.026  -0.944
  348    HA   MET  45           HA       MET  45   5.005  -5.567   1.672
  349   1HB   MET  45          2HB       MET  45   5.714  -3.026   0.230
  350   2HB   MET  45          1HB       MET  45   4.337  -3.045   1.334
  351   1HG   MET  45          2HG       MET  45   5.666  -3.148   3.164
  352   2HG   MET  45          1HG       MET  45   6.717  -4.362   2.435
  353   1HE   MET  45          3HE       MET  45   8.657  -3.361   3.635
  354   2HE   MET  45          2HE       MET  45   9.116  -3.879   2.014
  355   3HE   MET  45          1HE       MET  45   9.747  -2.366   2.659
  356    H    GLU  46           H        GLU  46   2.913  -6.203   1.508
  357    HA   GLU  46           HA       GLU  46   1.568  -6.069  -1.106
  358   1HB   GLU  46          2HB       GLU  46  -0.225  -7.353   0.053
  359   2HB   GLU  46          1HB       GLU  46   1.355  -8.118   0.217
  360   1HG   GLU  46          2HG       GLU  46   1.023  -8.093   2.448
  361   2HG   GLU  46          1HG       GLU  46   1.212  -6.340   2.374
  362    H    VAL  47           H        VAL  47  -0.364  -4.900  -1.496
  363    HA   VAL  47           HA       VAL  47  -0.956  -2.788   0.540
  364    HB   VAL  47           HB       VAL  47  -1.290  -2.655  -2.472
  365   1HG1  VAL  47          1HG1      VAL  47  -2.288  -1.051  -0.255
  366   2HG1  VAL  47          3HG1      VAL  47  -1.297  -0.094  -1.355
  367   3HG1  VAL  47          2HG1      VAL  47  -2.701  -0.968  -1.967
  368   1HG2  VAL  47          2HG2      VAL  47   1.091  -2.642  -1.408
  369   2HG2  VAL  47          1HG2      VAL  47   0.677  -1.359  -2.545
  370   3HG2  VAL  47          3HG2      VAL  47   0.642  -1.045  -0.810
  371    H    LEU  48           H        LEU  48  -2.751  -3.579   1.590
  372    HA   LEU  48           HA       LEU  48  -4.957  -4.696  -0.081
  373   1HB   LEU  48          2HB       LEU  48  -3.882  -5.836   2.077
  374   2HB   LEU  48          1HB       LEU  48  -5.020  -4.775   2.909
  375    HG   LEU  48           HG       LEU  48  -6.337  -6.013   0.668
  376   1HD1  LEU  48          1HD1      LEU  48  -4.468  -7.712   2.167
  377   2HD1  LEU  48          3HD1      LEU  48  -6.126  -8.314   2.185
  378   3HD1  LEU  48          2HD1      LEU  48  -5.307  -8.032   0.649
  379   1HD2  LEU  48          1HD2      LEU  48  -6.637  -6.211   3.681
  380   2HD2  LEU  48          3HD2      LEU  48  -7.505  -5.117   2.603
  381   3HD2  LEU  48          2HD2      LEU  48  -7.807  -6.853   2.529
  382    H    ALA  49           H        ALA  49  -7.195  -4.039   0.612
  383    HA   ALA  49           HA       ALA  49  -7.279  -1.122   0.971
  384   1HB   ALA  49          1HB       ALA  49  -8.802  -2.810  -0.506
  385   2HB   ALA  49          3HB       ALA  49  -9.802  -2.687   0.942
  386   3HB   ALA  49          2HB       ALA  49  -9.369  -1.233   0.042
  387    H    GLU  50           H        GLU  50  -8.862  -0.199   2.590
  388    HA   GLU  50           HA       GLU  50  -8.648  -1.726   5.146
  389   1HB   GLU  50          2HB       GLU  50  -8.159   1.011   4.446
  390   2HB   GLU  50          1HB       GLU  50  -9.497   0.959   5.594
  391   1HG   GLU  50          2HG       GLU  50  -7.457  -0.910   6.406
  392   2HG   GLU  50          1HG       GLU  50  -6.739   0.683   6.164
  393    H    ALA  51           H        ALA  51 -10.840  -1.287   2.766
  394    HA   ALA  51           HA       ALA  51 -13.067  -2.299   4.056
  395   1HB   ALA  51          1HB       ALA  51 -12.780   0.665   4.475
  396   2HB   ALA  51          3HB       ALA  51 -14.387  -0.049   4.332
  397   3HB   ALA  51          2HB       ALA  51 -13.301  -0.572   5.619
  398    H    ASP  52           H        ASP  52 -15.154  -1.800   2.830
  399    HA   ASP  52           HA       ASP  52 -14.808  -2.054   0.067
  400   1HB   ASP  52          2HB       ASP  52 -16.958  -2.588   0.684
  401   2HB   ASP  52          1HB       ASP  52 -17.087  -1.256   1.826
  402    H    GLY  53           H        GLY  53 -15.650  -0.396  -1.590
  403   1HA   GLY  53          2HA       GLY  53 -15.815   2.305  -1.462
  404   2HA   GLY  53          1HA       GLY  53 -14.079   2.074  -1.215
  405    H    VAL  54           H        VAL  54 -13.958   3.308  -3.308
  406    HA   VAL  54           HA       VAL  54 -14.077   1.388  -5.586
  407    HB   VAL  54           HB       VAL  54 -15.135   4.225  -5.535
  408   1HG1  VAL  54          2HG1      VAL  54 -13.774   2.851  -7.659
  409   2HG1  VAL  54          1HG1      VAL  54 -15.477   3.017  -8.087
  410   3HG1  VAL  54          3HG1      VAL  54 -14.524   4.447  -7.688
  411   1HG2  VAL  54          2HG2      VAL  54 -16.306   1.503  -6.169
  412   2HG2  VAL  54          1HG2      VAL  54 -16.786   2.604  -4.879
  413   3HG2  VAL  54          3HG2      VAL  54 -17.126   3.015  -6.560
  414    H    ILE  55           H        ILE  55 -12.112   1.291  -6.559
  415    HA   ILE  55           HA       ILE  55  -9.905   2.906  -5.750
  416    HB   ILE  55           HB       ILE  55 -10.205   1.366  -8.344
  417   1HG1  ILE  55          2HG1      ILE  55 -10.728   0.097  -6.183
  418   2HG1  ILE  55          1HG1      ILE  55  -9.431  -0.570  -7.172
  419   1HG2  ILE  55          1HG2      ILE  55  -7.896   2.519  -6.801
  420   2HG2  ILE  55          3HG2      ILE  55  -7.655   1.098  -7.816
  421   3HG2  ILE  55          2HG2      ILE  55  -8.226   2.605  -8.531
  422   1HD1  ILE  55          1HD1      ILE  55  -8.420   1.432  -5.320
  423   2HD1  ILE  55          3HD1      ILE  55  -9.261   0.136  -4.469
  424   3HD1  ILE  55          2HD1      ILE  55  -7.911  -0.242  -5.538
  425    H    ALA  56           H        ALA  56  -8.691   4.442  -7.133
  426    HA   ALA  56           HA       ALA  56 -10.576   6.160  -8.667
  427   1HB   ALA  56          1HB       ALA  56  -9.187   7.098  -6.748
  428   2HB   ALA  56          3HB       ALA  56  -7.770   6.854  -7.770
  429   3HB   ALA  56          2HB       ALA  56  -9.044   7.963  -8.277
  430    H    GLU  57           H        GLU  57  -7.084   5.397  -8.930
  431    HA   GLU  57           HA       GLU  57  -7.204   4.183 -11.486
  432   1HB   GLU  57          2HB       GLU  57  -8.051   6.257 -12.375
  433   2HB   GLU  57          1HB       GLU  57  -6.816   7.187 -11.526
  434   1HG   GLU  57          2HG       GLU  57  -5.062   6.037 -12.859
  435   2HG   GLU  57          1HG       GLU  57  -6.325   5.180 -13.746
  436    H    ILE  58           H        ILE  58  -5.145   3.465 -12.064
  437    HA   ILE  58           HA       ILE  58  -2.994   4.100 -10.135
  438    HB   ILE  58           HB       ILE  58  -2.917   2.115 -12.422
  439   1HG1  ILE  58          2HG1      ILE  58  -4.823   1.485 -11.109
  440   2HG1  ILE  58          1HG1      ILE  58  -3.495   0.449 -10.572
  441   1HG2  ILE  58          3HG2      ILE  58  -1.362   2.463  -9.845
  442   2HG2  ILE  58          2HG2      ILE  58  -1.269   1.015 -10.846
  443   3HG2  ILE  58          1HG2      ILE  58  -0.740   2.568 -11.491
  444   1HD1  ILE  58          2HD1      ILE  58  -3.054   2.132  -8.734
  445   2HD1  ILE  58          1HD1      ILE  58  -4.555   2.933  -9.199
  446   3HD1  ILE  58          3HD1      ILE  58  -4.590   1.277  -8.593
  447    H    VAL  59           H        VAL  59  -0.820   4.644 -10.938
  448    HA   VAL  59           HA       VAL  59  -0.985   6.500 -13.231
  449    HB   VAL  59           HB       VAL  59   1.153   5.951 -11.157
  450   1HG1  VAL  59          1HG1      VAL  59   1.350   7.187 -13.795
  451   2HG1  VAL  59          3HG1      VAL  59   1.802   8.303 -12.506
  452   3HG1  VAL  59          2HG1      VAL  59   2.632   6.755 -12.665
  453   1HG2  VAL  59          3HG2      VAL  59  -1.138   7.463 -11.017
  454   2HG2  VAL  59          2HG2      VAL  59   0.317   7.766 -10.066
  455   3HG2  VAL  59          1HG2      VAL  59   0.042   8.654 -11.565
  456    H    LYS  60           H        LYS  60   1.510   4.139 -12.212
  457    HA   LYS  60           HA       LYS  60   1.999   3.583 -15.097
  458   1HB   LYS  60          2HB       LYS  60   3.691   3.834 -12.781
  459   2HB   LYS  60          1HB       LYS  60   3.882   2.221 -13.469
  460   1HG   LYS  60          2HG       LYS  60   3.818   4.517 -15.370
  461   2HG   LYS  60          1HG       LYS  60   5.272   4.317 -14.391
  462   1HD   LYS  60          2HD       LYS  60   5.896   2.868 -16.032
  463   2HD   LYS  60          1HD       LYS  60   4.827   1.743 -15.193
  464   1HE   LYS  60          2HE       LYS  60   3.885   1.595 -17.286
  465   2HE   LYS  60          1HE       LYS  60   2.994   3.001 -16.703
  466   1HZ   LYS  60          3HZ       LYS  60   5.561   3.639 -17.835
  467   2HZ   LYS  60          2HZ       LYS  60   4.493   2.928 -18.948
  468   3HZ   LYS  60          1HZ       LYS  60   4.046   4.343 -18.121
  469    H    ASN  61           H        ASN  61   2.724   1.154 -15.418
  470    HA   ASN  61           HA       ASN  61   0.516  -0.494 -14.314
  471   1HB   ASN  61          2HB       ASN  61   2.462  -0.963 -16.592
  472   2HB   ASN  61          1HB       ASN  61   1.238  -2.128 -16.083
  473   1HD2  ASN  61          2HD2      ASN  61  -0.048   1.389 -17.813
  474   2HD2  ASN  61          1HD2      ASN  61   1.427   1.378 -16.956
  475    H    GLU  62           H        GLU  62   0.986  -2.626 -13.435
  476    HA   GLU  62           HA       GLU  62   3.137  -2.670 -11.572
  477   1HB   GLU  62          2HB       GLU  62   2.594  -5.207 -11.531
  478   2HB   GLU  62          1HB       GLU  62   1.316  -4.085 -11.060
  479   1HG   GLU  62          2HG       GLU  62   0.007  -4.840 -12.724
  480   2HG   GLU  62          1HG       GLU  62   1.246  -4.417 -13.910
  481    H    GLY  63           H        GLY  63   5.116  -3.863 -11.601
  482   1HA   GLY  63          2HA       GLY  63   6.820  -5.202 -12.640
  483   2HA   GLY  63          1HA       GLY  63   5.924  -5.114 -14.161
  484    H    ASP  64           H        ASP  64   5.706  -2.063 -13.345
  485    HA   ASP  64           HA       ASP  64   8.083  -1.306 -14.911
  486   1HB   ASP  64          2HB       ASP  64   6.327  -0.032 -15.669
  487   2HB   ASP  64          1HB       ASP  64   5.526   0.011 -14.099
  488    H    THR  65           H        THR  65   9.264   0.730 -14.096
  489    HA   THR  65           HA       THR  65  10.003   0.242 -11.250
  490    HB   THR  65           HB       THR  65  11.457   1.762 -13.437
  491    HG1  THR  65           HG1      THR  65  12.577  -0.035 -13.698
  492   1HG2  THR  65          2HG2      THR  65  11.762   2.442 -10.948
  493   2HG2  THR  65          1HG2      THR  65  12.604   0.900 -10.791
  494   3HG2  THR  65          3HG2      THR  65  13.205   2.124 -11.910
  495    H    VAL  66           H        VAL  66   9.677   1.813  -9.712
  496    HA   VAL  66           HA       VAL  66   8.594   4.431 -10.677
  497    HB   VAL  66           HB       VAL  66   7.170   4.505  -8.741
  498   1HG1  VAL  66          1HG1      VAL  66   7.206   1.760 -10.025
  499   2HG1  VAL  66          3HG1      VAL  66   5.900   2.330  -8.986
  500   3HG1  VAL  66          2HG1      VAL  66   6.239   3.153 -10.508
  501   1HG2  VAL  66          2HG2      VAL  66   9.177   2.775  -7.655
  502   2HG2  VAL  66          1HG2      VAL  66   7.837   3.550  -6.812
  503   3HG2  VAL  66          3HG2      VAL  66   7.621   1.954  -7.529
  504    H    LEU  67           H        LEU  67   8.757   6.013  -8.558
  505    HA   LEU  67           HA       LEU  67  11.597   5.806  -7.635
  506   1HB   LEU  67          2HB       LEU  67  10.126   8.414  -8.035
  507   2HB   LEU  67          1HB       LEU  67  11.865   8.146  -7.901
  508    HG   LEU  67           HG       LEU  67  10.078   7.290 -10.196
  509   1HD1  LEU  67          2HD1      LEU  67  11.523   9.683  -9.640
  510   2HD1  LEU  67          1HD1      LEU  67  12.376   8.837 -10.932
  511   3HD1  LEU  67          3HD1      LEU  67  10.672   9.251 -11.124
  512   1HD2  LEU  67          2HD2      LEU  67  12.797   6.466  -9.329
  513   2HD2  LEU  67          1HD2      LEU  67  11.617   5.595 -10.307
  514   3HD2  LEU  67          3HD2      LEU  67  12.618   6.846 -11.042
  515    H    SER  68           H        SER  68  11.986   6.948  -5.537
  516    HA   SER  68           HA       SER  68  10.071   6.164  -3.556
  517   1HB   SER  68          2HB       SER  68  12.256   6.327  -2.731
  518   2HB   SER  68          1HB       SER  68  12.553   7.861  -3.544
  519    HG   SER  68           HG       SER  68  12.035   8.687  -1.683
  520    H    GLY  69           H        GLY  69   8.201   7.176  -3.026
  521   1HA   GLY  69          2HA       GLY  69   6.878   9.063  -2.361
  522   2HA   GLY  69          1HA       GLY  69   8.080  10.131  -3.087
  523    H    GLU  70           H        GLU  70   7.345   7.546  -5.137
  524    HA   GLU  70           HA       GLU  70   5.902   9.355  -6.952
  525   1HB   GLU  70          2HB       GLU  70   7.712   7.649  -7.632
  526   2HB   GLU  70          1HB       GLU  70   6.460   6.424  -7.426
  527   1HG   GLU  70          2HG       GLU  70   5.940   6.889  -9.587
  528   2HG   GLU  70          1HG       GLU  70   5.143   8.314  -8.918
  529    H    LEU  71           H        LEU  71   3.739   9.584  -6.637
  530    HA   LEU  71           HA       LEU  71   2.147   7.608  -5.237
  531   1HB   LEU  71          2HB       LEU  71   1.698  10.111  -5.322
  532   2HB   LEU  71          1HB       LEU  71   1.119   9.867  -6.970
  533    HG   LEU  71           HG       LEU  71  -0.194   7.881  -5.562
  534   1HD1  LEU  71          1HD1      LEU  71   0.620   9.962  -3.712
  535   2HD1  LEU  71          3HD1      LEU  71  -1.139   9.885  -3.829
  536   3HD1  LEU  71          2HD1      LEU  71  -0.220   8.448  -3.381
  537   1HD2  LEU  71          3HD2      LEU  71  -0.815  10.040  -7.174
  538   2HD2  LEU  71          2HD2      LEU  71  -1.991   8.917  -6.489
  539   3HD2  LEU  71          1HD2      LEU  71  -1.642  10.438  -5.667
  540    H    LEU  72           H        LEU  72   1.182   5.836  -6.107
  541    HA   LEU  72           HA       LEU  72   1.257   5.505  -9.052
  542   1HB   LEU  72          2HB       LEU  72   0.550   3.549  -6.842
  543   2HB   LEU  72          1HB       LEU  72   0.669   3.148  -8.555
  544    HG   LEU  72           HG       LEU  72   2.948   4.360  -6.973
  545   1HD1  LEU  72          2HD1      LEU  72   2.337   2.133  -6.069
  546   2HD1  LEU  72          1HD1      LEU  72   2.454   1.454  -7.692
  547   3HD1  LEU  72          3HD1      LEU  72   3.893   2.090  -6.897
  548   1HD2  LEU  72          2HD2      LEU  72   2.779   4.522  -9.550
  549   2HD2  LEU  72          1HD2      LEU  72   4.272   3.867  -8.878
  550   3HD2  LEU  72          3HD2      LEU  72   3.054   2.780  -9.546
  551    H    GLY  73           H        GLY  73  -1.159   4.609  -6.562
  552   1HA   GLY  73          2HA       GLY  73  -3.242   5.889  -8.271
  553   2HA   GLY  73          1HA       GLY  73  -3.463   4.221  -7.730
  554    H    LYS  74           H        LYS  74  -5.440   5.728  -6.894
  555    HA   LYS  74           HA       LYS  74  -4.890   6.078  -4.002
  556   1HB   LYS  74          2HB       LYS  74  -6.460   8.198  -5.461
  557   2HB   LYS  74          1HB       LYS  74  -5.696   8.286  -3.873
  558   1HG   LYS  74          2HG       LYS  74  -3.484   8.283  -4.876
  559   2HG   LYS  74          1HG       LYS  74  -4.173   8.024  -6.479
  560   1HD   LYS  74          2HD       LYS  74  -5.130  10.383  -4.912
  561   2HD   LYS  74          1HD       LYS  74  -3.524  10.468  -5.638
  562   1HE   LYS  74          2HE       LYS  74  -4.618  11.123  -7.515
  563   2HE   LYS  74          1HE       LYS  74  -5.023   9.415  -7.691
  564   1HZ   LYS  74          1HZ       LYS  74  -6.845  10.416  -5.897
  565   2HZ   LYS  74          3HZ       LYS  74  -6.723  11.615  -7.091
  566   3HZ   LYS  74          2HZ       LYS  74  -7.134  10.025  -7.526
  567    H    LEU  75           H        LEU  75  -6.813   5.869  -2.713
  568    HA   LEU  75           HA       LEU  75  -9.016   4.492  -4.162
  569   1HB   LEU  75          2HB       LEU  75  -7.816   3.458  -2.138
  570   2HB   LEU  75          1HB       LEU  75  -8.661   4.663  -1.165
  571    HG   LEU  75           HG       LEU  75 -10.809   3.830  -2.321
  572   1HD1  LEU  75          2HD1      LEU  75  -9.304   2.522  -4.013
  573   2HD1  LEU  75          1HD1      LEU  75  -9.223   1.305  -2.739
  574   3HD1  LEU  75          3HD1      LEU  75 -10.782   1.760  -3.426
  575   1HD2  LEU  75          1HD2      LEU  75  -9.188   2.188  -0.365
  576   2HD2  LEU  75          3HD2      LEU  75 -10.496   3.318  -0.014
  577   3HD2  LEU  75          2HD2      LEU  75 -10.850   1.771  -0.783
  578    H    THR  76           H        THR  76 -11.226   5.104  -3.751
  579    HA   THR  76           HA       THR  76 -11.491   7.949  -2.886
  580    HB   THR  76           HB       THR  76 -12.207   7.129  -5.243
  581    HG1  THR  76           HG1      THR  76 -14.317   8.396  -4.774
  582   1HG2  THR  76          3HG2      THR  76 -13.579   5.237  -3.903
  583   2HG2  THR  76          2HG2      THR  76 -14.830   6.475  -4.023
  584   3HG2  THR  76          1HG2      THR  76 -14.077   5.837  -5.486
  585    H    GLU  77           H        GLU  77 -14.296   7.821  -2.592
  586    HA   GLU  77           HA       GLU  77 -14.427   6.709   0.128
  587   1HB   GLU  77          2HB       GLU  77 -16.231   8.435  -1.556
  588   2HB   GLU  77          1HB       GLU  77 -16.842   7.682  -0.082
  589   1HG   GLU  77          2HG       GLU  77 -15.834   9.252   1.172
  590   2HG   GLU  77          1HG       GLU  77 -14.271   8.836   0.466
  591    H    GLY  78           H        GLY  78 -17.055   6.611  -2.252
  592   1HA   GLY  78          2HA       GLY  78 -18.285   4.784  -3.086
  593   2HA   GLY  78          1HA       GLY  78 -16.948   3.738  -2.606
  594    H    GLY  79           HN       GLY  79 -20.140   4.381  -1.988
  595   1HA   GLY  79          2HA       GLY  79 -20.907   2.617  -0.204
  596   2HA   GLY  79          1HA       GLY  79 -19.954   3.625   0.887
   
  No H/Q in entry =         596
  Start of MODEL   14
    1   1H    ALA   1          3H        ALA   1 -10.933   7.588   1.332
    2   2H    ALA   1          2H        ALA   1 -11.437   9.082   1.967
    3   3H    ALA   1          1H        ALA   1 -12.146   8.477   0.547
    4    HA   ALA   1           HA       ALA   1 -10.308   8.928  -0.751
    5   1HB   ALA   1          3HB       ALA   1 -10.755  11.013   1.370
    6   2HB   ALA   1          2HB       ALA   1  -9.515  11.261   0.141
    7   3HB   ALA   1          1HB       ALA   1 -11.199  11.054  -0.337
    8    H    ILE   2           H        ILE   2  -8.837   7.141  -0.131
    9    HA   ILE   2           HA       ILE   2  -6.619   8.072   1.649
   10    HB   ILE   2           HB       ILE   2  -7.263   5.210   0.888
   11   1HG1  ILE   2          2HG1      ILE   2  -9.122   6.311   2.168
   12   2HG1  ILE   2          1HG1      ILE   2  -8.346   5.002   3.059
   13   1HG2  ILE   2          1HG2      ILE   2  -4.938   5.737   1.636
   14   2HG2  ILE   2          3HG2      ILE   2  -5.599   6.386   3.137
   15   3HG2  ILE   2          2HG2      ILE   2  -5.789   4.674   2.759
   16   1HD1  ILE   2          2HD1      ILE   2  -7.270   7.775   3.392
   17   2HD1  ILE   2          1HD1      ILE   2  -8.777   7.358   4.208
   18   3HD1  ILE   2          3HD1      ILE   2  -7.307   6.442   4.546
   19    H    ASP   3           H        ASP   3  -5.174   8.988   0.218
   20    HA   ASP   3           HA       ASP   3  -4.733   7.959  -2.453
   21   1HB   ASP   3          2HB       ASP   3  -4.308  10.348  -1.618
   22   2HB   ASP   3          1HB       ASP   3  -2.825   9.714  -0.895
   23    H    ILE   4           H        ILE   4  -3.075   6.611  -3.182
   24    HA   ILE   4           HA       ILE   4  -1.480   5.277  -1.032
   25    HB   ILE   4           HB       ILE   4  -1.910   4.069  -3.748
   26   1HG1  ILE   4          2HG1      ILE   4  -4.149   4.796  -2.945
   27   2HG1  ILE   4          1HG1      ILE   4  -3.995   3.038  -2.955
   28   1HG2  ILE   4          1HG2      ILE   4  -0.876   3.292  -1.149
   29   2HG2  ILE   4          3HG2      ILE   4  -2.160   2.200  -1.668
   30   3HG2  ILE   4          2HG2      ILE   4  -0.747   2.451  -2.693
   31   1HD1  ILE   4          2HD1      ILE   4  -3.332   3.184  -0.513
   32   2HD1  ILE   4          1HD1      ILE   4  -3.787   4.886  -0.565
   33   3HD1  ILE   4          3HD1      ILE   4  -5.002   3.640  -0.854
   34    H    LYS   5           H        LYS   5   0.474   6.344  -1.049
   35    HA   LYS   5           HA       LYS   5   1.745   6.870  -3.696
   36   1HB   LYS   5          2HB       LYS   5   3.346   8.265  -2.270
   37   2HB   LYS   5          1HB       LYS   5   1.687   8.858  -2.368
   38   1HG   LYS   5          2HG       LYS   5   2.337   6.946  -0.169
   39   2HG   LYS   5          1HG       LYS   5   2.941   8.598  -0.021
   40   1HD   LYS   5          2HD       LYS   5   0.218   8.682  -0.932
   41   2HD   LYS   5          1HD       LYS   5   0.311   7.663   0.506
   42   1HE   LYS   5          2HE       LYS   5   1.858   9.641   1.382
   43   2HE   LYS   5          1HE       LYS   5   0.937  10.572   0.200
   44   1HZ   LYS   5          1HZ       LYS   5  -0.333   8.833   2.237
   45   2HZ   LYS   5          3HZ       LYS   5  -0.034  10.484   2.487
   46   3HZ   LYS   5          2HZ       LYS   5  -1.082   9.992   1.245
   47    H    ALA   6           H        ALA   6   4.169   6.480  -3.732
   48    HA   ALA   6           HA       ALA   6   4.713   3.760  -2.888
   49   1HB   ALA   6          1HB       ALA   6   5.644   4.987  -4.956
   50   2HB   ALA   6          3HB       ALA   6   6.784   5.741  -3.843
   51   3HB   ALA   6          2HB       ALA   6   6.775   3.989  -4.043
   52    HA   PRO   7           HA       PRO   7   6.612   4.539   0.990
   53   1HB   PRO   7          2HB       PRO   7   8.425   2.474   1.047
   54   2HB   PRO   7          1HB       PRO   7   6.682   2.253   1.277
   55   1HG   PRO   7          2HG       PRO   7   8.360   1.601  -1.102
   56   2HG   PRO   7          1HG       PRO   7   6.837   0.871  -0.570
   57   1HD   PRO   7          2HD       PRO   7   7.128   2.767  -2.653
   58   2HD   PRO   7          1HD       PRO   7   5.597   2.278  -1.889
   59    H    THR   8           H        THR   8   8.768   5.029   2.018
   60    HA   THR   8           HA       THR   8  10.494   6.468   0.098
   61    HB   THR   8           HB       THR   8  11.053   6.398   3.038
   62    HG1  THR   8           HG1      THR   8   9.247   7.344   3.525
   63   1HG2  THR   8          3HG2      THR   8  12.204   7.743   1.050
   64   2HG2  THR   8          2HG2      THR   8  10.868   8.854   1.349
   65   3HG2  THR   8          1HG2      THR   8  11.999   8.466   2.645
   66    H    PHE   9           H        PHE   9  12.019   5.185  -0.853
   67    HA   PHE   9           HA       PHE   9  13.037   2.755   0.232
   68   1HB   PHE   9          2HB       PHE   9  14.493   4.584  -1.697
   69   2HB   PHE   9          1HB       PHE   9  14.676   2.834  -1.532
   70    HD1  PHE   9           HD1      PHE   9  12.206   1.597  -1.581
   71    HD2  PHE   9           HD2      PHE   9  13.285   5.253  -3.565
   72    HE1  PHE   9           HE1      PHE   9  10.374   1.250  -3.217
   73    HE2  PHE   9           HE2      PHE   9  11.453   4.906  -5.202
   74    HZ   PHE   9           HZ       PHE   9   9.997   2.904  -5.028
   75    HA   PRO  10           HA       PRO  10  15.962   4.231   3.163
   76   1HB   PRO  10          2HB       PRO  10  17.530   1.977   3.299
   77   2HB   PRO  10          1HB       PRO  10  15.928   2.101   4.048
   78   1HG   PRO  10          2HG       PRO  10  16.737   0.630   1.584
   79   2HG   PRO  10          1HG       PRO  10  15.396   0.307   2.694
   80   1HD   PRO  10          2HD       PRO  10  15.190   1.567   0.167
   81   2HD   PRO  10          1HD       PRO  10  13.932   1.531   1.424
   82    H    GLU  11           H        GLU  11  18.683   3.489   3.258
   83    HA   GLU  11           HA       GLU  11  19.774   5.186   1.150
   84   1HB   GLU  11          2HB       GLU  11  20.648   4.137   3.701
   85   2HB   GLU  11          1HB       GLU  11  21.890   3.874   2.476
   86   1HG   GLU  11          2HG       GLU  11  21.151   6.417   1.871
   87   2HG   GLU  11          1HG       GLU  11  20.863   6.413   3.611
   88    H    SER  12           H        SER  12  20.468   1.803   2.124
   89    HA   SER  12           HA       SER  12  22.068   0.996   0.036
   90   1HB   SER  12          2HB       SER  12  20.913  -0.352   2.018
   91   2HB   SER  12          1HB       SER  12  19.794  -0.818   0.735
   92    HG   SER  12           HG       SER  12  22.600  -0.956   0.412
   93    H    ILE  13           H        ILE  13  18.487   0.825  -0.045
   94    HA   ILE  13           HA       ILE  13  18.628   0.571  -2.997
   95    HB   ILE  13           HB       ILE  13  16.125   0.565  -1.303
   96   1HG1  ILE  13          2HG1      ILE  13  17.544  -1.103  -0.297
   97   2HG1  ILE  13          1HG1      ILE  13  16.409  -1.958  -1.341
   98   1HG2  ILE  13          1HG2      ILE  13  16.910  -0.518  -4.019
   99   2HG2  ILE  13          3HG2      ILE  13  15.422  -0.990  -3.196
  100   3HG2  ILE  13          2HG2      ILE  13  15.681   0.693  -3.655
  101   1HD1  ILE  13          1HD1      ILE  13  19.182  -1.121  -2.226
  102   2HD1  ILE  13          3HD1      ILE  13  18.808  -2.717  -1.572
  103   3HD1  ILE  13          2HD1      ILE  13  18.064  -2.184  -3.080
  104    H    ALA  14           H        ALA  14  17.994   2.216  -4.361
  105    HA   ALA  14           HA       ALA  14  16.910   4.689  -3.070
  106   1HB   ALA  14          1HB       ALA  14  18.910   4.424  -5.333
  107   2HB   ALA  14          3HB       ALA  14  18.142   5.944  -4.876
  108   3HB   ALA  14          2HB       ALA  14  19.200   5.113  -3.736
  109    H    ASP  15           H        ASP  15  15.829   2.242  -4.732
  110    HA   ASP  15           HA       ASP  15  13.876   3.858  -6.214
  111   1HB   ASP  15          2HB       ASP  15  14.356   2.263  -8.270
  112   2HB   ASP  15          1HB       ASP  15  15.297   3.740  -8.053
  113    H    GLY  16           H        GLY  16  12.570   1.937  -7.620
  114   1HA   GLY  16          2HA       GLY  16  12.336  -0.560  -6.142
  115   2HA   GLY  16          1HA       GLY  16  11.008   0.551  -5.803
  116    H    THR  17           H        THR  17  10.108  -1.638  -6.928
  117    HA   THR  17           HA       THR  17   9.391  -0.785  -9.664
  118    HB   THR  17           HB       THR  17  10.739  -3.420  -9.021
  119    HG1  THR  17           HG1      THR  17  12.093  -1.704  -9.589
  120   1HG2  THR  17          3HG2      THR  17   8.595  -2.924 -10.840
  121   2HG2  THR  17          2HG2      THR  17  10.062  -3.182 -11.782
  122   3HG2  THR  17          1HG2      THR  17   9.526  -4.407 -10.631
  123    H    VAL  18           H        VAL  18   7.202  -0.904  -9.689
  124    HA   VAL  18           HA       VAL  18   5.527  -1.973  -7.763
  125    HB   VAL  18           HB       VAL  18   4.977  -2.014 -10.746
  126   1HG1  VAL  18          2HG1      VAL  18   3.145  -1.906  -8.329
  127   2HG1  VAL  18          1HG1      VAL  18   2.618  -1.764 -10.007
  128   3HG1  VAL  18          3HG1      VAL  18   3.331  -3.271  -9.431
  129   1HG2  VAL  18          3HG2      VAL  18   5.452   0.162  -8.911
  130   2HG2  VAL  18          2HG2      VAL  18   5.087   0.235 -10.635
  131   3HG2  VAL  18          1HG2      VAL  18   3.775   0.205  -9.456
  132    H    ALA  19           H        ALA  19   4.161  -3.978  -7.836
  133    HA   ALA  19           HA       ALA  19   5.819  -6.286  -8.748
  134   1HB   ALA  19          3HB       ALA  19   5.306  -6.151  -6.311
  135   2HB   ALA  19          2HB       ALA  19   3.587  -6.225  -6.694
  136   3HB   ALA  19          1HB       ALA  19   4.632  -7.599  -7.059
  137    H    THR  20           H        THR  20   2.328  -6.002  -8.064
  138    HA   THR  20           HA       THR  20   1.635  -6.417 -10.876
  139    HB   THR  20           HB       THR  20   1.310  -8.630  -8.835
  140    HG1  THR  20           HG1      THR  20   2.717  -9.614 -10.057
  141   1HG2  THR  20          3HG2      THR  20  -0.822  -8.267 -10.031
  142   2HG2  THR  20          2HG2      THR  20   0.031  -8.374 -11.572
  143   3HG2  THR  20          1HG2      THR  20  -0.064  -9.783 -10.516
  144    H    TRP  21           H        TRP  21  -0.430  -5.647 -11.239
  145    HA   TRP  21           HA       TRP  21  -1.895  -4.607  -8.909
  146   1HB   TRP  21          2HB       TRP  21  -1.895  -4.164 -11.859
  147   2HB   TRP  21          1HB       TRP  21  -3.394  -3.856 -10.989
  148    HD1  TRP  21           HD1      TRP  21   0.046  -2.472 -11.583
  149    HE1  TRP  21           HE1      TRP  21   0.317  -0.249 -10.295
  150    HE3  TRP  21           HE3      TRP  21  -4.180  -2.575  -8.714
  151    HZ2  TRP  21           HZ2      TRP  21  -1.048   1.266  -8.340
  152    HZ3  TRP  21           HZ3      TRP  21  -4.671  -0.719  -7.139
  153    HH2  TRP  21           HH2      TRP  21  -3.110   1.203  -6.948
  154    H    HIS  22           H        HIS  22  -2.598  -6.702  -8.085
  155    HA   HIS  22           HA       HIS  22  -3.911  -8.764  -9.393
  156   1HB   HIS  22          2HB       HIS  22  -5.251  -7.728  -6.918
  157   2HB   HIS  22          1HB       HIS  22  -4.848  -9.391  -7.360
  158    HD1  HIS  22           HD1      HIS  22  -3.292  -6.221  -6.047
  159    HD2  HIS  22           HD2      HIS  22  -2.268 -10.225  -6.571
  160    HE1  HIS  22           HE1      HIS  22  -1.039  -6.526  -4.968
  161    H    LYS  23           H        LYS  23  -5.585  -5.853  -8.136
  162    HA   LYS  23           HA       LYS  23  -7.765  -6.426 -10.098
  163   1HB   LYS  23          2HB       LYS  23  -7.826  -4.738  -7.577
  164   2HB   LYS  23          1HB       LYS  23  -9.197  -5.039  -8.645
  165   1HG   LYS  23          2HG       LYS  23  -8.186  -7.585  -8.087
  166   2HG   LYS  23          1HG       LYS  23  -8.095  -6.730  -6.547
  167   1HD   LYS  23          2HD       LYS  23 -10.288  -7.305  -6.352
  168   2HD   LYS  23          1HD       LYS  23 -10.557  -5.945  -7.443
  169   1HE   LYS  23          2HE       LYS  23  -9.855  -8.072  -9.126
  170   2HE   LYS  23          1HE       LYS  23 -10.932  -8.788  -7.927
  171   1HZ   LYS  23          2HZ       LYS  23 -12.054  -6.362  -8.583
  172   2HZ   LYS  23          1HZ       LYS  23 -11.550  -7.026 -10.064
  173   3HZ   LYS  23          3HZ       LYS  23 -12.600  -7.898  -9.057
  174    H    LYS  24           H        LYS  24  -8.707  -4.531 -11.187
  175    HA   LYS  24           HA       LYS  24  -6.610  -2.515 -11.796
  176   1HB   LYS  24          2HB       LYS  24  -8.886  -3.714 -13.254
  177   2HB   LYS  24          1HB       LYS  24  -8.656  -1.987 -13.530
  178   1HG   LYS  24          2HG       LYS  24  -6.161  -2.574 -13.880
  179   2HG   LYS  24          1HG       LYS  24  -6.716  -4.240 -14.040
  180   1HD   LYS  24          2HD       LYS  24  -8.481  -2.815 -15.646
  181   2HD   LYS  24          1HD       LYS  24  -6.930  -2.025 -15.936
  182   1HE   LYS  24          2HE       LYS  24  -6.081  -3.829 -17.019
  183   2HE   LYS  24          1HE       LYS  24  -6.770  -4.963 -15.856
  184   1HZ   LYS  24          2HZ       LYS  24  -8.919  -3.892 -17.187
  185   2HZ   LYS  24          1HZ       LYS  24  -7.763  -4.172 -18.400
  186   3HZ   LYS  24          3HZ       LYS  24  -8.266  -5.446 -17.400
  187    HA   PRO  25           HA       PRO  25  -8.778   0.782  -9.880
  188   1HB   PRO  25          2HB       PRO  25  -8.407   2.816 -11.693
  189   2HB   PRO  25          1HB       PRO  25  -7.125   2.200 -10.635
  190   1HG   PRO  25          2HG       PRO  25  -7.530   1.744 -13.557
  191   2HG   PRO  25          1HG       PRO  25  -6.028   1.738 -12.619
  192   1HD   PRO  25          2HD       PRO  25  -7.420  -0.554 -13.498
  193   2HD   PRO  25          1HD       PRO  25  -6.149  -0.525 -12.257
  194    H    GLY  26           H        GLY  26 -11.003   0.298  -9.880
  195   1HA   GLY  26          2HA       GLY  26 -13.026   1.648 -10.807
  196   2HA   GLY  26          1HA       GLY  26 -12.540   0.947 -12.354
  197    H    GLU  27           H        GLU  27 -11.749  -1.393 -10.244
  198    HA   GLU  27           HA       GLU  27 -14.254  -2.864 -10.783
  199   1HB   GLU  27          2HB       GLU  27 -11.519  -3.652  -9.777
  200   2HB   GLU  27          1HB       GLU  27 -12.883  -4.769  -9.700
  201   1HG   GLU  27          2HG       GLU  27 -11.459  -4.973 -11.788
  202   2HG   GLU  27          1HG       GLU  27 -13.176  -4.701 -12.086
  203    H    ALA  28           H        ALA  28 -14.545  -4.549  -8.696
  204    HA   ALA  28           HA       ALA  28 -15.274  -2.698  -6.489
  205   1HB   ALA  28          1HB       ALA  28 -16.639  -4.795  -7.709
  206   2HB   ALA  28          3HB       ALA  28 -16.093  -5.487  -6.181
  207   3HB   ALA  28          2HB       ALA  28 -17.079  -4.026  -6.184
  208    H    VAL  29           H        VAL  29 -14.639  -3.148  -4.315
  209    HA   VAL  29           HA       VAL  29 -12.550  -5.251  -3.984
  210    HB   VAL  29           HB       VAL  29 -11.353  -3.520  -2.489
  211   1HG1  VAL  29          1HG1      VAL  29 -11.498  -3.189  -5.500
  212   2HG1  VAL  29          3HG1      VAL  29 -10.231  -2.497  -4.487
  213   3HG1  VAL  29          2HG1      VAL  29 -10.407  -4.248  -4.607
  214   1HG2  VAL  29          3HG2      VAL  29 -13.341  -1.942  -2.553
  215   2HG2  VAL  29          2HG2      VAL  29 -11.794  -1.194  -2.950
  216   3HG2  VAL  29          1HG2      VAL  29 -12.929  -1.608  -4.234
  217    H    LYS  30           H        LYS  30 -12.204  -5.794  -1.660
  218    HA   LYS  30           HA       LYS  30 -14.573  -5.100   0.027
  219   1HB   LYS  30          2HB       LYS  30 -14.569  -7.459  -1.052
  220   2HB   LYS  30          1HB       LYS  30 -13.272  -7.821   0.089
  221   1HG   LYS  30          2HG       LYS  30 -15.126  -6.589   1.707
  222   2HG   LYS  30          1HG       LYS  30 -16.153  -7.475   0.578
  223   1HD   LYS  30          2HD       LYS  30 -15.002  -9.555   1.079
  224   2HD   LYS  30          1HD       LYS  30 -13.833  -8.705   2.091
  225   1HE   LYS  30          2HE       LYS  30 -16.064  -7.878   3.312
  226   2HE   LYS  30          1HE       LYS  30 -16.680  -9.395   2.657
  227   1HZ   LYS  30          3HZ       LYS  30 -14.086  -9.359   4.040
  228   2HZ   LYS  30          2HZ       LYS  30 -15.518  -9.362   4.955
  229   3HZ   LYS  30          1HZ       LYS  30 -15.196 -10.630   3.871
  230    H    ARG  31           H        ARG  31 -14.058  -4.546   2.115
  231    HA   ARG  31           HA       ARG  31 -11.560  -3.729   2.932
  232   1HB   ARG  31          2HB       ARG  31 -13.563  -3.298   4.267
  233   2HB   ARG  31          1HB       ARG  31 -13.691  -5.011   4.667
  234   1HG   ARG  31          2HG       ARG  31 -12.017  -4.910   6.213
  235   2HG   ARG  31          1HG       ARG  31 -11.071  -3.767   5.259
  236   1HD   ARG  31          2HD       ARG  31 -12.368  -1.913   6.002
  237   2HD   ARG  31          1HD       ARG  31 -13.629  -2.961   6.651
  238    HE   ARG  31           HE       ARG  31 -10.947  -3.213   7.872
  239   1HH1  ARG  31          1HH2      ARG  31 -12.832  -4.299   9.591
  240   2HH1  ARG  31          2HH2      ARG  31 -13.414  -2.995  10.571
  241   1HH2  ARG  31          2HH1      ARG  31 -12.271  -0.521   8.428
  242   2HH2  ARG  31          1HH1      ARG  31 -13.096  -0.856   9.913
  243    H    ASP  32           H        ASP  32  -9.720  -4.692   3.795
  244    HA   ASP  32           HA       ASP  32  -8.257  -6.415   4.447
  245   1HB   ASP  32          2HB       ASP  32 -10.390  -7.092   5.798
  246   2HB   ASP  32          1HB       ASP  32 -10.578  -8.327   4.554
  247    H    GLU  33           H        GLU  33  -8.533  -5.873   1.747
  248    HA   GLU  33           HA       GLU  33  -8.124  -8.585   0.591
  249   1HB   GLU  33          2HB       GLU  33 -10.437  -7.840   0.027
  250   2HB   GLU  33          1HB       GLU  33  -9.758  -6.405  -0.743
  251   1HG   GLU  33          2HG       GLU  33  -8.653  -7.703  -2.414
  252   2HG   GLU  33          1HG       GLU  33  -8.939  -9.206  -1.536
  253    H    LEU  34           H        LEU  34  -6.140  -8.598  -0.344
  254    HA   LEU  34           HA       LEU  34  -4.349  -6.518  -0.542
  255   1HB   LEU  34          2HB       LEU  34  -3.811  -8.893  -1.051
  256   2HB   LEU  34          1HB       LEU  34  -4.649  -8.729  -2.595
  257    HG   LEU  34           HG       LEU  34  -3.086  -6.963  -3.279
  258   1HD1  LEU  34          1HD1      LEU  34  -1.811  -7.485  -0.576
  259   2HD1  LEU  34          3HD1      LEU  34  -1.113  -6.476  -1.841
  260   3HD1  LEU  34          2HD1      LEU  34  -2.627  -6.004  -1.072
  261   1HD2  LEU  34          3HD2      LEU  34  -1.784  -9.491  -2.222
  262   2HD2  LEU  34          2HD2      LEU  34  -2.439  -9.232  -3.839
  263   3HD2  LEU  34          1HD2      LEU  34  -0.992  -8.365  -3.325
  264    H    ILE  35           H        ILE  35  -3.583  -5.317  -2.530
  265    HA   ILE  35           HA       ILE  35  -5.716  -4.802  -4.526
  266    HB   ILE  35           HB       ILE  35  -4.420  -2.593  -2.899
  267   1HG1  ILE  35          2HG1      ILE  35  -6.119  -4.018  -1.672
  268   2HG1  ILE  35          1HG1      ILE  35  -6.565  -2.318  -1.826
  269   1HG2  ILE  35          1HG2      ILE  35  -6.008  -2.699  -5.376
  270   2HG2  ILE  35          3HG2      ILE  35  -6.643  -1.579  -4.171
  271   3HG2  ILE  35          2HG2      ILE  35  -4.986  -1.405  -4.750
  272   1HD1  ILE  35          1HD1      ILE  35  -7.439  -4.249  -3.948
  273   2HD1  ILE  35          3HD1      ILE  35  -8.320  -4.197  -2.422
  274   3HD1  ILE  35          2HD1      ILE  35  -8.203  -2.750  -3.423
  275    H    VAL  36           H        VAL  36  -2.410  -4.059  -3.421
  276    HA   VAL  36           HA       VAL  36  -1.444  -4.441  -6.174
  277    HB   VAL  36           HB       VAL  36  -2.108  -2.029  -6.065
  278   1HG1  VAL  36          2HG1      VAL  36   0.019  -1.964  -3.902
  279   2HG1  VAL  36          1HG1      VAL  36  -0.722  -0.539  -4.631
  280   3HG1  VAL  36          3HG1      VAL  36  -1.704  -1.653  -3.678
  281   1HG2  VAL  36          2HG2      VAL  36   0.526  -3.121  -6.697
  282   2HG2  VAL  36          1HG2      VAL  36  -0.455  -1.973  -7.608
  283   3HG2  VAL  36          3HG2      VAL  36   0.600  -1.402  -6.315
  284    H    ASP  37           H        ASP  37   0.588  -5.326  -6.119
  285    HA   ASP  37           HA       ASP  37   1.900  -5.500  -3.452
  286   1HB   ASP  37          2HB       ASP  37   1.999  -7.163  -5.957
  287   2HB   ASP  37          1HB       ASP  37   3.323  -7.247  -4.794
  288    H    ILE  38           H        ILE  38   4.277  -5.235  -3.381
  289    HA   ILE  38           HA       ILE  38   5.305  -3.471  -5.566
  290    HB   ILE  38           HB       ILE  38   4.644  -2.215  -3.462
  291   1HG1  ILE  38          2HG1      ILE  38   7.564  -2.252  -4.292
  292   2HG1  ILE  38          1HG1      ILE  38   6.283  -1.276  -5.011
  293   1HG2  ILE  38          1HG2      ILE  38   5.906  -4.339  -2.205
  294   2HG2  ILE  38          3HG2      ILE  38   7.089  -3.037  -2.069
  295   3HG2  ILE  38          2HG2      ILE  38   5.458  -2.815  -1.437
  296   1HD1  ILE  38          1HD1      ILE  38   5.932  -0.332  -2.629
  297   2HD1  ILE  38          3HD1      ILE  38   7.512  -1.026  -2.267
  298   3HD1  ILE  38          2HD1      ILE  38   7.356   0.210  -3.517
  299    H    GLU  39           H        GLU  39   7.662  -3.528  -5.786
  300    HA   GLU  39           HA       GLU  39   8.918  -5.919  -4.506
  301   1HB   GLU  39          2HB       GLU  39   8.296  -6.443  -6.844
  302   2HB   GLU  39          1HB       GLU  39   9.221  -5.047  -7.397
  303   1HG   GLU  39          2HG       GLU  39  11.118  -6.254  -7.366
  304   2HG   GLU  39          1HG       GLU  39  10.873  -6.636  -5.662
  305    H    THR  40           H        THR  40  11.082  -5.641  -3.910
  306    HA   THR  40           HA       THR  40  12.319  -3.005  -4.573
  307    HB   THR  40           HB       THR  40  11.275  -3.158  -2.219
  308    HG1  THR  40           HG1      THR  40  13.181  -1.843  -3.069
  309   1HG2  THR  40          3HG2      THR  40  12.310  -5.551  -1.993
  310   2HG2  THR  40          2HG2      THR  40  13.771  -4.682  -1.527
  311   3HG2  THR  40          1HG2      THR  40  12.291  -4.487  -0.587
  312    H    ASP  41           H        ASP  41  14.721  -3.434  -3.162
  313    HA   ASP  41           HA       ASP  41  16.357  -4.768  -4.921
  314   1HB   ASP  41          2HB       ASP  41  16.772  -3.563  -2.525
  315   2HB   ASP  41          1HB       ASP  41  17.049  -5.248  -2.079
  316    H    LYS  42           H        LYS  42  15.405  -6.339  -1.846
  317    HA   LYS  42           HA       LYS  42  14.918  -8.852  -3.354
  318   1HB   LYS  42          2HB       LYS  42  17.007  -8.414  -1.236
  319   2HB   LYS  42          1HB       LYS  42  16.241  -9.994  -1.397
  320   1HG   LYS  42          2HG       LYS  42  17.830 -10.385  -2.970
  321   2HG   LYS  42          1HG       LYS  42  16.821  -9.381  -4.013
  322   1HD   LYS  42          2HD       LYS  42  18.399  -7.778  -4.087
  323   2HD   LYS  42          1HD       LYS  42  18.473  -7.712  -2.326
  324   1HE   LYS  42          2HE       LYS  42  19.737 -10.100  -3.514
  325   2HE   LYS  42          1HE       LYS  42  20.526  -8.575  -3.918
  326   1HZ   LYS  42          2HZ       LYS  42  19.841  -9.474  -1.172
  327   2HZ   LYS  42          1HZ       LYS  42  21.390  -9.539  -1.865
  328   3HZ   LYS  42          3HZ       LYS  42  20.652  -8.038  -1.582
  329    H    VAL  43           H        VAL  43  12.920  -7.294  -2.300
  330    HA   VAL  43           HA       VAL  43  11.783  -9.099  -0.295
  331    HB   VAL  43           HB       VAL  43  12.312  -6.188   0.380
  332   1HG1  VAL  43          1HG1      VAL  43  10.566  -8.311   1.595
  333   2HG1  VAL  43          3HG1      VAL  43  11.316  -7.100   2.636
  334   3HG1  VAL  43          2HG1      VAL  43  10.224  -6.599   1.344
  335   1HG2  VAL  43          1HG2      VAL  43  13.347  -8.811   1.491
  336   2HG2  VAL  43          3HG2      VAL  43  14.290  -7.518   0.750
  337   3HG2  VAL  43          2HG2      VAL  43  13.532  -7.268   2.324
  338    H    VAL  44           H        VAL  44   9.753  -9.384  -1.067
  339    HA   VAL  44           HA       VAL  44   8.475  -7.150  -2.564
  340    HB   VAL  44           HB       VAL  44   7.893 -10.119  -2.413
  341   1HG1  VAL  44          2HG1      VAL  44   6.132  -7.889  -3.058
  342   2HG1  VAL  44          1HG1      VAL  44   6.328  -8.977  -4.432
  343   3HG1  VAL  44          3HG1      VAL  44   5.747  -9.601  -2.888
  344   1HG2  VAL  44          1HG2      VAL  44   8.872  -8.224  -4.564
  345   2HG2  VAL  44          3HG2      VAL  44   9.712  -9.624  -3.897
  346   3HG2  VAL  44          2HG2      VAL  44   8.292  -9.851  -4.918
  347    H    MET  45           H        MET  45   6.871  -6.005  -1.595
  348    HA   MET  45           HA       MET  45   5.707  -7.112   0.922
  349   1HB   MET  45          2HB       MET  45   5.877  -4.262  -0.105
  350   2HB   MET  45          1HB       MET  45   5.076  -4.739   1.392
  351   1HG   MET  45          2HG       MET  45   7.123  -5.473   2.371
  352   2HG   MET  45          1HG       MET  45   7.966  -5.423   0.823
  353   1HE   MET  45          2HE       MET  45   9.694  -4.506   1.486
  354   2HE   MET  45          1HE       MET  45   9.909  -2.842   0.949
  355   3HE   MET  45          3HE       MET  45   9.891  -3.222   2.677
  356    H    GLU  46           H        GLU  46   3.359  -6.003   1.220
  357    HA   GLU  46           HA       GLU  46   1.882  -6.278  -1.361
  358   1HB   GLU  46          2HB       GLU  46   0.689  -7.347   1.177
  359   2HB   GLU  46          1HB       GLU  46   0.368  -7.819  -0.492
  360   1HG   GLU  46          2HG       GLU  46   2.795  -8.671  -0.539
  361   2HG   GLU  46          1HG       GLU  46   2.756  -8.520   1.218
  362    H    VAL  47           H        VAL  47   0.010  -4.969  -1.504
  363    HA   VAL  47           HA       VAL  47  -0.309  -3.009   0.736
  364    HB   VAL  47           HB       VAL  47  -0.851  -2.548  -2.212
  365   1HG1  VAL  47          2HG1      VAL  47  -1.371  -1.060   0.263
  366   2HG1  VAL  47          1HG1      VAL  47  -0.477  -0.121  -0.933
  367   3HG1  VAL  47          3HG1      VAL  47  -2.041  -0.822  -1.352
  368   1HG2  VAL  47          2HG2      VAL  47   1.628  -2.769  -0.976
  369   2HG2  VAL  47          1HG2      VAL  47   1.305  -1.908  -2.480
  370   3HG2  VAL  47          3HG2      VAL  47   1.315  -1.034  -0.949
  371    H    LEU  48           H        LEU  48  -2.121  -3.685   1.815
  372    HA   LEU  48           HA       LEU  48  -4.394  -4.812   0.301
  373   1HB   LEU  48          2HB       LEU  48  -3.398  -5.002   3.000
  374   2HB   LEU  48          1HB       LEU  48  -5.079  -4.470   3.030
  375    HG   LEU  48           HG       LEU  48  -5.520  -6.362   1.334
  376   1HD1  LEU  48          3HD1      LEU  48  -3.080  -6.718   0.854
  377   2HD1  LEU  48          2HD1      LEU  48  -2.897  -7.349   2.492
  378   3HD1  LEU  48          1HD1      LEU  48  -3.923  -8.192   1.332
  379   1HD2  LEU  48          1HD2      LEU  48  -5.677  -6.243   4.068
  380   2HD2  LEU  48          3HD2      LEU  48  -6.265  -7.595   3.101
  381   3HD2  LEU  48          2HD2      LEU  48  -4.666  -7.670   3.842
  382    H    ALA  49           H        ALA  49  -6.599  -3.916   0.686
  383    HA   ALA  49           HA       ALA  49  -6.556  -0.997   0.448
  384   1HB   ALA  49          3HB       ALA  49  -8.267  -3.082  -0.401
  385   2HB   ALA  49          2HB       ALA  49  -9.215  -2.093   0.710
  386   3HB   ALA  49          1HB       ALA  49  -8.458  -1.356  -0.703
  387    H    GLU  50           H        GLU  50  -7.978   0.376   1.820
  388    HA   GLU  50           HA       GLU  50  -7.860  -0.543   4.646
  389   1HB   GLU  50          2HB       GLU  50  -7.347   1.943   3.334
  390   2HB   GLU  50          1HB       GLU  50  -8.713   2.177   4.425
  391   1HG   GLU  50          2HG       GLU  50  -6.402   0.612   5.470
  392   2HG   GLU  50          1HG       GLU  50  -6.169   2.349   5.270
  393    H    ALA  51           H        ALA  51 -10.053  -0.626   2.210
  394    HA   ALA  51           HA       ALA  51 -12.279  -1.341   3.687
  395   1HB   ALA  51          3HB       ALA  51 -11.914   1.621   3.572
  396   2HB   ALA  51          2HB       ALA  51 -13.551   0.992   3.383
  397   3HB   ALA  51          1HB       ALA  51 -12.630   0.628   4.841
  398    H    ASP  52           H        ASP  52 -14.217  -1.502   2.358
  399    HA   ASP  52           HA       ASP  52 -13.652  -1.829  -0.434
  400   1HB   ASP  52          2HB       ASP  52 -15.381  -3.208   0.199
  401   2HB   ASP  52          1HB       ASP  52 -16.069  -2.031   1.312
  402    H    GLY  53           H        GLY  53 -15.100  -0.719  -2.127
  403   1HA   GLY  53          2HA       GLY  53 -16.401   1.648  -2.086
  404   2HA   GLY  53          1HA       GLY  53 -14.746   2.195  -1.794
  405    H    VAL  54           H        VAL  54 -14.229   3.153  -3.740
  406    HA   VAL  54           HA       VAL  54 -14.160   1.350  -6.106
  407    HB   VAL  54           HB       VAL  54 -15.364   4.124  -5.995
  408   1HG1  VAL  54          1HG1      VAL  54 -14.386   2.505  -8.357
  409   2HG1  VAL  54          3HG1      VAL  54 -15.569   3.802  -8.518
  410   3HG1  VAL  54          2HG1      VAL  54 -13.947   4.157  -7.925
  411   1HG2  VAL  54          2HG2      VAL  54 -16.364   1.399  -6.148
  412   2HG2  VAL  54          1HG2      VAL  54 -17.257   2.898  -5.897
  413   3HG2  VAL  54          3HG2      VAL  54 -16.900   2.349  -7.534
  414    H    ILE  55           H        ILE  55 -12.257   1.547  -7.237
  415    HA   ILE  55           HA       ILE  55 -10.162   3.237  -6.130
  416    HB   ILE  55           HB       ILE  55 -10.082   1.700  -8.736
  417   1HG1  ILE  55          2HG1      ILE  55 -10.918   0.358  -6.717
  418   2HG1  ILE  55          1HG1      ILE  55  -9.479  -0.266  -7.520
  419   1HG2  ILE  55          2HG2      ILE  55  -7.998   2.611  -6.733
  420   2HG2  ILE  55          1HG2      ILE  55  -7.659   1.494  -8.056
  421   3HG2  ILE  55          3HG2      ILE  55  -8.174   3.144  -8.405
  422   1HD1  ILE  55          1HD1      ILE  55  -9.063   1.688  -5.305
  423   2HD1  ILE  55          3HD1      ILE  55  -9.585   0.063  -4.861
  424   3HD1  ILE  55          2HD1      ILE  55  -8.090   0.292  -5.769
  425    H    ALA  56           H        ALA  56  -9.050   4.930  -7.305
  426    HA   ALA  56           HA       ALA  56 -10.885   6.500  -8.997
  427   1HB   ALA  56          3HB       ALA  56  -8.627   7.054  -7.258
  428   2HB   ALA  56          2HB       ALA  56  -8.418   7.832  -8.826
  429   3HB   ALA  56          1HB       ALA  56  -9.861   8.159  -7.864
  430    H    GLU  57           H        GLU  57  -7.394   5.732  -9.281
  431    HA   GLU  57           HA       GLU  57  -7.590   4.496 -11.843
  432   1HB   GLU  57          2HB       GLU  57  -7.793   7.379 -11.865
  433   2HB   GLU  57          1HB       GLU  57  -6.315   6.872 -12.685
  434   1HG   GLU  57          2HG       GLU  57  -9.049   5.693 -13.250
  435   2HG   GLU  57          1HG       GLU  57  -8.320   6.988 -14.200
  436    H    ILE  58           H        ILE  58  -5.598   3.609 -12.359
  437    HA   ILE  58           HA       ILE  58  -3.385   4.221 -10.482
  438    HB   ILE  58           HB       ILE  58  -3.643   2.012 -12.546
  439   1HG1  ILE  58          2HG1      ILE  58  -5.336   1.667 -10.883
  440   2HG1  ILE  58          1HG1      ILE  58  -3.990   0.614 -10.435
  441   1HG2  ILE  58          1HG2      ILE  58  -1.637   2.642 -10.377
  442   2HG2  ILE  58          3HG2      ILE  58  -1.837   1.006 -11.007
  443   3HG2  ILE  58          2HG2      ILE  58  -1.336   2.310 -12.083
  444   1HD1  ILE  58          1HD1      ILE  58  -3.174   2.467  -8.913
  445   2HD1  ILE  58          3HD1      ILE  58  -4.691   3.306  -9.236
  446   3HD1  ILE  58          2HD1      ILE  58  -4.705   1.738  -8.428
  447    H    VAL  59           H        VAL  59  -1.450   5.114 -11.162
  448    HA   VAL  59           HA       VAL  59  -1.332   5.944 -14.031
  449    HB   VAL  59           HB       VAL  59  -0.030   7.167 -11.579
  450   1HG1  VAL  59          1HG1      VAL  59   0.475   7.431 -14.461
  451   2HG1  VAL  59          3HG1      VAL  59   0.162   8.972 -13.660
  452   3HG1  VAL  59          2HG1      VAL  59   1.471   7.933 -13.096
  453   1HG2  VAL  59          2HG2      VAL  59  -2.580   7.441 -12.091
  454   2HG2  VAL  59          1HG2      VAL  59  -1.628   8.885 -11.745
  455   3HG2  VAL  59          3HG2      VAL  59  -2.034   8.474 -13.412
  456    H    LYS  60           H        LYS  60   0.118   3.961 -11.657
  457    HA   LYS  60           HA       LYS  60   2.746   3.907 -13.011
  458   1HB   LYS  60          2HB       LYS  60   1.719   3.190 -10.399
  459   2HB   LYS  60          1HB       LYS  60   2.606   1.839 -11.104
  460   1HG   LYS  60          2HG       LYS  60   3.639   4.679 -10.850
  461   2HG   LYS  60          1HG       LYS  60   4.120   3.319  -9.834
  462   1HD   LYS  60          2HD       LYS  60   5.378   2.341 -11.495
  463   2HD   LYS  60          1HD       LYS  60   4.348   2.962 -12.786
  464   1HE   LYS  60          2HE       LYS  60   6.343   4.564 -11.159
  465   2HE   LYS  60          1HE       LYS  60   6.509   4.101 -12.853
  466   1HZ   LYS  60          3HZ       LYS  60   4.150   5.296 -12.923
  467   2HZ   LYS  60          2HZ       LYS  60   4.851   6.162 -11.641
  468   3HZ   LYS  60          1HZ       LYS  60   5.607   6.128 -13.162
  469    H    ASN  61           H        ASN  61   3.485   1.306 -12.982
  470    HA   ASN  61           HA       ASN  61   1.346  -0.194 -14.417
  471   1HB   ASN  61          2HB       ASN  61   4.108   0.489 -15.421
  472   2HB   ASN  61          1HB       ASN  61   3.254  -0.938 -16.009
  473   1HD2  ASN  61          2HD2      ASN  61   2.113   2.752 -17.277
  474   2HD2  ASN  61          1HD2      ASN  61   3.385   2.558 -16.156
  475    H    GLU  62           H        GLU  62   1.725  -2.519 -14.437
  476    HA   GLU  62           HA       GLU  62   2.922  -3.473 -11.978
  477   1HB   GLU  62          2HB       GLU  62   2.285  -5.363 -14.204
  478   2HB   GLU  62          1HB       GLU  62   1.938  -5.503 -12.481
  479   1HG   GLU  62          2HG       GLU  62  -0.178  -4.909 -13.030
  480   2HG   GLU  62          1HG       GLU  62   0.467  -3.278 -13.219
  481    H    GLY  63           H        GLY  63   4.850  -4.641 -11.719
  482   1HA   GLY  63          2HA       GLY  63   7.068  -5.238 -12.193
  483   2HA   GLY  63          1HA       GLY  63   6.473  -5.680 -13.797
  484    H    ASP  64           H        ASP  64   5.945  -2.417 -12.804
  485    HA   ASP  64           HA       ASP  64   7.981  -1.550 -14.792
  486   1HB   ASP  64          2HB       ASP  64   6.046  -0.477 -15.415
  487   2HB   ASP  64          1HB       ASP  64   5.407  -0.426 -13.774
  488    H    THR  65           H        THR  65   9.043   0.620 -14.189
  489    HA   THR  65           HA       THR  65  10.284   0.268 -11.533
  490    HB   THR  65           HB       THR  65  11.597   0.772 -13.658
  491    HG1  THR  65           HG1      THR  65  12.932   2.275 -12.537
  492   1HG2  THR  65          3HG2      THR  65   9.802   2.600 -14.244
  493   2HG2  THR  65          2HG2      THR  65  10.801   3.632 -13.222
  494   3HG2  THR  65          1HG2      THR  65  11.495   2.876 -14.655
  495    H    VAL  66           H        VAL  66  10.385   2.017  -9.978
  496    HA   VAL  66           HA       VAL  66   8.444   4.231 -10.391
  497    HB   VAL  66           HB       VAL  66   7.740   3.753  -7.915
  498   1HG1  VAL  66          3HG1      VAL  66   6.877   2.239 -10.376
  499   2HG1  VAL  66          2HG1      VAL  66   6.066   1.992  -8.830
  500   3HG1  VAL  66          1HG1      VAL  66   6.073   3.590  -9.577
  501   1HG2  VAL  66          2HG2      VAL  66   8.878   1.098  -8.833
  502   2HG2  VAL  66          1HG2      VAL  66   9.331   2.015  -7.396
  503   3HG2  VAL  66          3HG2      VAL  66   7.743   1.252  -7.492
  504    H    LEU  67           H        LEU  67   8.645   5.780  -8.386
  505    HA   LEU  67           HA       LEU  67  11.505   5.856  -7.514
  506   1HB   LEU  67          2HB       LEU  67  10.494   7.573  -9.356
  507   2HB   LEU  67          1HB       LEU  67  10.099   8.444  -7.874
  508    HG   LEU  67           HG       LEU  67  12.795   7.337  -7.791
  509   1HD1  LEU  67          3HD1      LEU  67  12.128   8.088 -10.330
  510   2HD1  LEU  67          2HD1      LEU  67  12.692   9.622  -9.667
  511   3HD1  LEU  67          1HD1      LEU  67  13.756   8.216  -9.663
  512   1HD2  LEU  67          3HD2      LEU  67  11.345   9.891  -7.268
  513   2HD2  LEU  67          2HD2      LEU  67  12.466   9.005  -6.235
  514   3HD2  LEU  67          1HD2      LEU  67  13.081  10.002  -7.554
  515    H    SER  68           H        SER  68  11.806   7.182  -5.510
  516    HA   SER  68           HA       SER  68  10.044   6.407  -3.436
  517   1HB   SER  68          2HB       SER  68  12.211   7.072  -2.759
  518   2HB   SER  68          1HB       SER  68  12.120   8.585  -3.657
  519    HG   SER  68           HG       SER  68  10.589   7.860  -1.372
  520    H    GLY  69           H        GLY  69   8.315   7.460  -2.416
  521   1HA   GLY  69          2HA       GLY  69   6.456   8.883  -2.271
  522   2HA   GLY  69          1HA       GLY  69   7.536  10.160  -2.833
  523    H    GLU  70           H        GLU  70   7.091   7.322  -4.799
  524    HA   GLU  70           HA       GLU  70   6.041   8.968  -6.974
  525   1HB   GLU  70          2HB       GLU  70   7.608   7.156  -7.474
  526   2HB   GLU  70          1HB       GLU  70   6.503   5.977  -6.765
  527   1HG   GLU  70          2HG       GLU  70   6.383   6.104  -9.278
  528   2HG   GLU  70          1HG       GLU  70   4.844   6.407  -8.470
  529    H    LEU  71           H        LEU  71   3.929   9.597  -6.712
  530    HA   LEU  71           HA       LEU  71   1.929   8.112  -5.318
  531   1HB   LEU  71          2HB       LEU  71   1.624  10.483  -5.734
  532   2HB   LEU  71          1HB       LEU  71   1.677  10.226  -7.478
  533    HG   LEU  71           HG       LEU  71  -0.303   8.469  -6.524
  534   1HD1  LEU  71          3HD1      LEU  71  -0.058  10.857  -4.852
  535   2HD1  LEU  71          2HD1      LEU  71  -1.646  10.724  -5.607
  536   3HD1  LEU  71          1HD1      LEU  71  -1.036   9.410  -4.603
  537   1HD2  LEU  71          3HD2      LEU  71  -0.093  10.920  -8.181
  538   2HD2  LEU  71          2HD2      LEU  71  -0.843   9.369  -8.558
  539   3HD2  LEU  71          1HD2      LEU  71  -1.707  10.552  -7.575
  540    H    LEU  72           H        LEU  72   0.717   6.383  -5.959
  541    HA   LEU  72           HA       LEU  72   1.044   5.453  -8.769
  542   1HB   LEU  72          2HB       LEU  72  -0.261   3.860  -6.572
  543   2HB   LEU  72          1HB       LEU  72   0.594   3.279  -8.000
  544    HG   LEU  72           HG       LEU  72   1.970   4.841  -5.806
  545   1HD1  LEU  72          3HD1      LEU  72   0.941   2.690  -4.969
  546   2HD1  LEU  72          2HD1      LEU  72   1.928   1.831  -6.151
  547   3HD1  LEU  72          1HD1      LEU  72   2.699   2.745  -4.855
  548   1HD2  LEU  72          1HD2      LEU  72   2.763   3.388  -8.295
  549   2HD2  LEU  72          3HD2      LEU  72   3.413   4.878  -7.612
  550   3HD2  LEU  72          2HD2      LEU  72   3.867   3.319  -6.922
  551    H    GLY  73           H        GLY  73  -1.618   5.139  -6.398
  552   1HA   GLY  73          2HA       GLY  73  -3.442   6.440  -8.347
  553   2HA   GLY  73          1HA       GLY  73  -3.819   4.788  -7.846
  554    H    LYS  74           H        LYS  74  -5.805   6.275  -7.161
  555    HA   LYS  74           HA       LYS  74  -5.352   6.977  -4.289
  556   1HB   LYS  74          2HB       LYS  74  -6.995   8.439  -6.369
  557   2HB   LYS  74          1HB       LYS  74  -7.204   8.698  -4.636
  558   1HG   LYS  74          2HG       LYS  74  -5.053   9.606  -4.382
  559   2HG   LYS  74          1HG       LYS  74  -4.467   8.879  -5.879
  560   1HD   LYS  74          2HD       LYS  74  -6.704  10.884  -5.974
  561   2HD   LYS  74          1HD       LYS  74  -5.036  11.440  -5.836
  562   1HE   LYS  74          2HE       LYS  74  -4.543  10.862  -7.976
  563   2HE   LYS  74          1HE       LYS  74  -5.432   9.344  -7.865
  564   1HZ   LYS  74          3HZ       LYS  74  -7.003  11.797  -7.865
  565   2HZ   LYS  74          2HZ       LYS  74  -6.257  11.372  -9.330
  566   3HZ   LYS  74          1HZ       LYS  74  -7.337  10.296  -8.579
  567    H    LEU  75           H        LEU  75  -7.148   6.501  -2.892
  568    HA   LEU  75           HA       LEU  75  -8.985   4.453  -4.039
  569   1HB   LEU  75          2HB       LEU  75  -7.455   3.952  -2.031
  570   2HB   LEU  75          1HB       LEU  75  -8.526   5.005  -1.104
  571    HG   LEU  75           HG       LEU  75 -10.207   3.271  -2.577
  572   1HD1  LEU  75          3HD1      LEU  75  -7.794   2.013  -2.460
  573   2HD1  LEU  75          2HD1      LEU  75  -8.508   1.483  -0.937
  574   3HD1  LEU  75          1HD1      LEU  75  -9.339   1.162  -2.458
  575   1HD2  LEU  75          1HD2      LEU  75  -9.379   3.528   0.318
  576   2HD2  LEU  75          3HD2      LEU  75 -10.875   4.070  -0.445
  577   3HD2  LEU  75          2HD2      LEU  75 -10.587   2.349  -0.192
  578    H    THR  76           H        THR  76 -11.253   4.569  -3.523
  579    HA   THR  76           HA       THR  76 -12.146   7.341  -2.863
  580    HB   THR  76           HB       THR  76 -13.782   5.171  -4.196
  581    HG1  THR  76           HG1      THR  76 -12.063   7.136  -5.284
  582   1HG2  THR  76          2HG2      THR  76 -14.073   8.099  -3.650
  583   2HG2  THR  76          1HG2      THR  76 -14.803   7.435  -5.111
  584   3HG2  THR  76          3HG2      THR  76 -15.275   6.814  -3.529
  585    H    GLU  77           H        GLU  77 -14.416   7.317  -1.770
  586    HA   GLU  77           HA       GLU  77 -14.175   5.710   0.661
  587   1HB   GLU  77          2HB       GLU  77 -15.971   7.905  -0.304
  588   2HB   GLU  77          1HB       GLU  77 -16.520   6.895   1.035
  589   1HG   GLU  77          2HG       GLU  77 -13.727   7.747   1.310
  590   2HG   GLU  77          1HG       GLU  77 -14.863   9.097   1.275
  591    H    GLY  78           H        GLY  78 -16.166   4.498   1.469
  592   1HA   GLY  78          2HA       GLY  78 -17.859   3.379  -0.685
  593   2HA   GLY  78          1HA       GLY  78 -16.815   2.242   0.171
  594    H    GLY  79           HN       GLY  79 -16.990   2.547   2.695
  595   1HA   GLY  79          2HA       GLY  79 -18.741   3.445   4.379
  596   2HA   GLY  79          1HA       GLY  79 -19.907   2.639   3.328
   
  No H/Q in entry =         596
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1 -10.968   6.881   1.975
    2   2H    ALA   1          3H        ALA   1 -12.390   7.455   1.253
    3   3H    ALA   1          2H        ALA   1 -11.547   6.158   0.551
    4    HA   ALA   1           HA       ALA   1 -10.571   7.649  -0.756
    5   1HB   ALA   1          3HB       ALA   1 -12.351   9.271  -0.107
    6   2HB   ALA   1          2HB       ALA   1 -11.357   9.775   1.261
    7   3HB   ALA   1          1HB       ALA   1 -10.796  10.056  -0.389
    8    H    ILE   2           H        ILE   2  -8.524   6.721  -0.312
    9    HA   ILE   2           HA       ILE   2  -6.810   8.386   1.470
   10    HB   ILE   2           HB       ILE   2  -6.815   5.353   1.379
   11   1HG1  ILE   2          2HG1      ILE   2  -7.382   7.124   3.759
   12   2HG1  ILE   2          1HG1      ILE   2  -8.671   6.616   2.668
   13   1HG2  ILE   2          1HG2      ILE   2  -4.608   6.769   1.709
   14   2HG2  ILE   2          3HG2      ILE   2  -5.261   7.023   3.328
   15   3HG2  ILE   2          2HG2      ILE   2  -4.937   5.386   2.753
   16   1HD1  ILE   2          2HD1      ILE   2  -6.772   4.596   3.849
   17   2HD1  ILE   2          1HD1      ILE   2  -8.185   5.143   4.753
   18   3HD1  ILE   2          3HD1      ILE   2  -8.391   4.339   3.197
   19    H    ASP   3           H        ASP   3  -5.037   9.062   0.364
   20    HA   ASP   3           HA       ASP   3  -4.537   8.324  -2.344
   21   1HB   ASP   3          2HB       ASP   3  -3.754  10.446  -1.270
   22   2HB   ASP   3          1HB       ASP   3  -2.563   9.505  -0.365
   23    H    ILE   4           H        ILE   4  -2.749   7.079  -3.216
   24    HA   ILE   4           HA       ILE   4  -1.677   5.047  -1.297
   25    HB   ILE   4           HB       ILE   4  -2.455   4.612  -4.198
   26   1HG1  ILE   4          2HG1      ILE   4  -3.778   3.229  -1.900
   27   2HG1  ILE   4          1HG1      ILE   4  -4.230   4.905  -2.218
   28   1HG2  ILE   4          1HG2      ILE   4  -0.539   3.272  -2.867
   29   2HG2  ILE   4          3HG2      ILE   4  -1.947   2.388  -2.279
   30   3HG2  ILE   4          2HG2      ILE   4  -1.620   2.476  -4.011
   31   1HD1  ILE   4          2HD1      ILE   4  -4.736   4.322  -4.566
   32   2HD1  ILE   4          1HD1      ILE   4  -4.303   2.644  -4.238
   33   3HD1  ILE   4          3HD1      ILE   4  -5.706   3.363  -3.447
   34    H    LYS   5           H        LYS   5   0.380   5.930  -1.045
   35    HA   LYS   5           HA       LYS   5   1.982   6.214  -3.557
   36   1HB   LYS   5          2HB       LYS   5   2.448   7.711  -0.963
   37   2HB   LYS   5          1HB       LYS   5   3.252   7.981  -2.510
   38   1HG   LYS   5          2HG       LYS   5   0.450   8.130  -2.983
   39   2HG   LYS   5          1HG       LYS   5   0.794   9.116  -1.561
   40   1HD   LYS   5          2HD       LYS   5   2.469   9.310  -4.065
   41   2HD   LYS   5          1HD       LYS   5   1.005  10.269  -3.853
   42   1HE   LYS   5          2HE       LYS   5   2.216  10.724  -1.469
   43   2HE   LYS   5          1HE       LYS   5   3.632  10.504  -2.497
   44   1HZ   LYS   5          2HZ       LYS   5   1.532  12.158  -3.612
   45   2HZ   LYS   5          1HZ       LYS   5   2.312  12.810  -2.251
   46   3HZ   LYS   5          3HZ       LYS   5   3.216  12.384  -3.620
   47    H    ALA   6           H        ALA   6   4.226   5.541  -3.373
   48    HA   ALA   6           HA       ALA   6   4.550   3.229  -1.616
   49   1HB   ALA   6          3HB       ALA   6   5.869   4.334  -3.978
   50   2HB   ALA   6          2HB       ALA   6   7.025   3.743  -2.784
   51   3HB   ALA   6          1HB       ALA   6   5.786   2.663  -3.423
   52    HA   PRO   7           HA       PRO   7   6.815   5.175   1.597
   53   1HB   PRO   7          2HB       PRO   7   8.538   3.147   2.288
   54   2HB   PRO   7          1HB       PRO   7   6.810   3.140   2.680
   55   1HG   PRO   7          2HG       PRO   7   8.270   1.575   0.601
   56   2HG   PRO   7          1HG       PRO   7   6.762   1.186   1.446
   57   1HD   PRO   7          2HD       PRO   7   6.972   2.196  -1.191
   58   2HD   PRO   7          1HD       PRO   7   5.486   2.113  -0.217
   59    H    THR   8           H        THR   8   8.973   6.011   2.182
   60    HA   THR   8           HA       THR   8  10.577   6.672  -0.146
   61    HB   THR   8           HB       THR   8  11.325   7.098   2.757
   62    HG1  THR   8           HG1      THR   8  10.294   9.254   2.052
   63   1HG2  THR   8          2HG2      THR   8  12.050   8.418   0.136
   64   2HG2  THR   8          1HG2      THR   8  12.374   9.167   1.700
   65   3HG2  THR   8          3HG2      THR   8  13.130   7.629   1.285
   66    H    PHE   9           H        PHE   9  12.612   5.865  -0.704
   67    HA   PHE   9           HA       PHE   9  13.308   3.258   0.500
   68   1HB   PHE   9          2HB       PHE   9  14.453   4.752  -1.881
   69   2HB   PHE   9          1HB       PHE   9  14.946   3.131  -1.376
   70    HD1  PHE   9           HD1      PHE   9  12.423   1.882  -0.584
   71    HD2  PHE   9           HD2      PHE   9  13.266   4.491  -3.893
   72    HE1  PHE   9           HE1      PHE   9  10.514   0.910  -1.836
   73    HE2  PHE   9           HE2      PHE   9  11.357   3.519  -5.146
   74    HZ   PHE   9           HZ       PHE   9   9.982   1.729  -4.117
   75    HA   PRO  10           HA       PRO  10  16.660   4.829   2.857
   76   1HB   PRO  10          2HB       PRO  10  18.271   2.601   2.878
   77   2HB   PRO  10          1HB       PRO  10  16.784   2.742   3.830
   78   1HG   PRO  10          2HG       PRO  10  17.279   1.169   1.345
   79   2HG   PRO  10          1HG       PRO  10  16.104   0.882   2.639
   80   1HD   PRO  10          2HD       PRO  10  15.540   2.024   0.110
   81   2HD   PRO  10          1HD       PRO  10  14.463   2.031   1.526
   82    H    GLU  11           H        GLU  11  19.353   4.338   2.683
   83    HA   GLU  11           HA       GLU  11  20.108   5.825   0.302
   84   1HB   GLU  11          2HB       GLU  11  21.266   6.114   2.482
   85   2HB   GLU  11          1HB       GLU  11  21.864   4.459   2.365
   86   1HG   GLU  11          2HG       GLU  11  23.021   5.028   0.256
   87   2HG   GLU  11          1HG       GLU  11  22.437   6.687   0.389
   88    H    SER  12           H        SER  12  21.030   2.577   1.511
   89    HA   SER  12           HA       SER  12  22.491   1.625  -0.615
   90   1HB   SER  12          2HB       SER  12  21.683   0.393   1.524
   91   2HB   SER  12          1HB       SER  12  20.295  -0.082   0.546
   92    HG   SER  12           HG       SER  12  21.531  -1.493  -0.384
   93    H    ILE  13           H        ILE  13  18.917   1.470  -0.415
   94    HA   ILE  13           HA       ILE  13  18.827   0.850  -3.311
   95    HB   ILE  13           HB       ILE  13  16.573   1.059  -1.290
   96   1HG1  ILE  13          2HG1      ILE  13  17.613  -1.512  -2.442
   97   2HG1  ILE  13          1HG1      ILE  13  18.468  -0.775  -1.086
   98   1HG2  ILE  13          3HG2      ILE  13  16.737   0.520  -4.199
   99   2HG2  ILE  13          2HG2      ILE  13  15.717  -0.587  -3.281
  100   3HG2  ILE  13          1HG2      ILE  13  15.394   1.146  -3.243
  101   1HD1  ILE  13          2HD1      ILE  13  15.739  -0.626  -0.418
  102   2HD1  ILE  13          1HD1      ILE  13  15.971  -2.243  -1.082
  103   3HD1  ILE  13          3HD1      ILE  13  16.943  -1.703   0.287
  104    H    ALA  14           H        ALA  14  17.774   2.226  -4.811
  105    HA   ALA  14           HA       ALA  14  17.154   4.969  -3.785
  106   1HB   ALA  14          3HB       ALA  14  19.329   4.633  -5.172
  107   2HB   ALA  14          2HB       ALA  14  18.241   4.452  -6.548
  108   3HB   ALA  14          1HB       ALA  14  18.250   5.954  -5.624
  109    H    ASP  15           H        ASP  15  15.732   2.299  -4.933
  110    HA   ASP  15           HA       ASP  15  13.311   3.574  -5.695
  111   1HB   ASP  15          2HB       ASP  15  13.503   2.738  -8.196
  112   2HB   ASP  15          1HB       ASP  15  14.131   4.322  -7.740
  113    H    GLY  16           H        GLY  16  12.074   1.777  -7.283
  114   1HA   GLY  16          2HA       GLY  16  12.819  -0.962  -6.505
  115   2HA   GLY  16          1HA       GLY  16  11.321  -0.363  -5.789
  116    H    THR  17           H        THR  17  10.195  -2.043  -7.024
  117    HA   THR  17           HA       THR  17   9.469  -1.068  -9.718
  118    HB   THR  17           HB       THR  17  10.571  -3.842  -9.192
  119    HG1  THR  17           HG1      THR  17  11.915  -3.113 -10.997
  120   1HG2  THR  17          2HG2      THR  17   8.630  -2.877 -11.143
  121   2HG2  THR  17          1HG2      THR  17  10.061  -3.563 -11.914
  122   3HG2  THR  17          3HG2      THR  17   9.122  -4.531 -10.777
  123    H    VAL  18           H        VAL  18   7.301  -1.401 -10.096
  124    HA   VAL  18           HA       VAL  18   5.554  -2.187  -8.017
  125    HB   VAL  18           HB       VAL  18   4.959  -2.397 -10.982
  126   1HG1  VAL  18          1HG1      VAL  18   3.398  -2.493  -8.484
  127   2HG1  VAL  18          3HG1      VAL  18   2.753  -1.384  -9.695
  128   3HG1  VAL  18          2HG1      VAL  18   2.984  -3.086 -10.093
  129   1HG2  VAL  18          3HG2      VAL  18   5.057  -0.007  -9.127
  130   2HG2  VAL  18          2HG2      VAL  18   5.896  -0.217 -10.664
  131   3HG2  VAL  18          1HG2      VAL  18   4.146   0.003 -10.637
  132    H    ALA  19           H        ALA  19   4.172  -4.131  -7.902
  133    HA   ALA  19           HA       ALA  19   5.691  -6.549  -8.751
  134   1HB   ALA  19          1HB       ALA  19   4.524  -5.841  -6.314
  135   2HB   ALA  19          3HB       ALA  19   3.412  -7.028  -6.998
  136   3HB   ALA  19          2HB       ALA  19   5.110  -7.442  -6.761
  137    H    THR  20           H        THR  20   2.210  -6.111  -8.102
  138    HA   THR  20           HA       THR  20   1.515  -6.576 -10.905
  139    HB   THR  20           HB       THR  20   1.092  -8.724  -8.812
  140    HG1  THR  20           HG1      THR  20   2.985  -8.999  -9.877
  141   1HG2  THR  20          2HG2      THR  20  -0.309  -8.175 -11.413
  142   2HG2  THR  20          1HG2      THR  20  -0.090  -9.836 -10.864
  143   3HG2  THR  20          3HG2      THR  20  -0.993  -8.692  -9.871
  144    H    TRP  21           H        TRP  21  -0.525  -5.759 -11.298
  145    HA   TRP  21           HA       TRP  21  -1.965  -4.605  -9.006
  146   1HB   TRP  21          2HB       TRP  21  -1.938  -4.253 -11.969
  147   2HB   TRP  21          1HB       TRP  21  -3.432  -3.873 -11.118
  148    HD1  TRP  21           HD1      TRP  21   0.094  -2.661 -11.666
  149    HE1  TRP  21           HE1      TRP  21   0.414  -0.389 -10.477
  150    HE3  TRP  21           HE3      TRP  21  -4.246  -2.429  -8.976
  151    HZ2  TRP  21           HZ2      TRP  21  -0.956   1.282  -8.660
  152    HZ3  TRP  21           HZ3      TRP  21  -4.713  -0.475  -7.518
  153    HH2  TRP  21           HH2      TRP  21  -3.074   1.382  -7.356
  154    H    HIS  22           H        HIS  22  -2.716  -6.677  -8.137
  155    HA   HIS  22           HA       HIS  22  -4.110  -8.713  -9.407
  156   1HB   HIS  22          2HB       HIS  22  -5.413  -7.626  -6.939
  157   2HB   HIS  22          1HB       HIS  22  -5.020  -9.297  -7.358
  158    HD1  HIS  22           HD1      HIS  22  -3.430  -6.112  -6.113
  159    HD2  HIS  22           HD2      HIS  22  -2.460 -10.143  -6.530
  160    HE1  HIS  22           HE1      HIS  22  -1.187  -6.421  -5.015
  161    H    LYS  23           H        LYS  23  -5.904  -6.002  -7.905
  162    HA   LYS  23           HA       LYS  23  -8.087  -6.454  -9.848
  163   1HB   LYS  23          2HB       LYS  23  -7.827  -4.671  -7.412
  164   2HB   LYS  23          1HB       LYS  23  -9.247  -4.679  -8.458
  165   1HG   LYS  23          2HG       LYS  23  -8.800  -7.376  -7.957
  166   2HG   LYS  23          1HG       LYS  23  -8.443  -6.605  -6.410
  167   1HD   LYS  23          2HD       LYS  23 -10.649  -6.389  -6.032
  168   2HD   LYS  23          1HD       LYS  23 -10.772  -5.349  -7.450
  169   1HE   LYS  23          2HE       LYS  23 -10.544  -8.108  -8.272
  170   2HE   LYS  23          1HE       LYS  23 -11.876  -7.927  -7.130
  171   1HZ   LYS  23          3HZ       LYS  23 -12.674  -6.052  -8.483
  172   2HZ   LYS  23          2HZ       LYS  23 -11.449  -6.364  -9.617
  173   3HZ   LYS  23          1HZ       LYS  23 -12.666  -7.515  -9.339
  174    H    LYS  24           H        LYS  24  -9.131  -3.999 -10.289
  175    HA   LYS  24           HA       LYS  24  -6.931  -2.270 -11.299
  176   1HB   LYS  24          2HB       LYS  24  -8.803  -3.858 -12.920
  177   2HB   LYS  24          1HB       LYS  24  -8.769  -2.148 -13.352
  178   1HG   LYS  24          2HG       LYS  24  -6.391  -2.204 -13.713
  179   2HG   LYS  24          1HG       LYS  24  -6.268  -3.822 -13.023
  180   1HD   LYS  24          2HD       LYS  24  -7.863  -4.571 -14.886
  181   2HD   LYS  24          1HD       LYS  24  -7.541  -3.009 -15.639
  182   1HE   LYS  24          2HE       LYS  24  -5.873  -4.275 -16.627
  183   2HE   LYS  24          1HE       LYS  24  -5.014  -3.707 -15.196
  184   1HZ   LYS  24          1HZ       LYS  24  -6.531  -6.250 -15.244
  185   2HZ   LYS  24          3HZ       LYS  24  -4.890  -6.161 -15.659
  186   3HZ   LYS  24          2HZ       LYS  24  -5.393  -5.732 -14.094
  187    HA   PRO  25           HA       PRO  25  -9.593   1.019 -10.153
  188   1HB   PRO  25          2HB       PRO  25  -9.105   2.856 -12.141
  189   2HB   PRO  25          1HB       PRO  25  -7.955   2.486 -10.843
  190   1HG   PRO  25          2HG       PRO  25  -7.882   1.656 -13.711
  191   2HG   PRO  25          1HG       PRO  25  -6.541   1.899 -12.579
  192   1HD   PRO  25          2HD       PRO  25  -7.607  -0.600 -13.339
  193   2HD   PRO  25          1HD       PRO  25  -6.548  -0.306 -11.943
  194    H    GLY  26           H        GLY  26 -11.797   1.166 -10.348
  195   1HA   GLY  26          2HA       GLY  26 -13.672   1.957 -11.816
  196   2HA   GLY  26          1HA       GLY  26 -12.975   0.951 -13.091
  197    H    GLU  27           H        GLU  27 -12.710  -0.517 -10.051
  198    HA   GLU  27           HA       GLU  27 -15.240  -2.047 -10.497
  199   1HB   GLU  27          2HB       GLU  27 -12.662  -3.284  -9.509
  200   2HB   GLU  27          1HB       GLU  27 -14.120  -4.110 -10.058
  201   1HG   GLU  27          2HG       GLU  27 -12.392  -2.349 -11.821
  202   2HG   GLU  27          1HG       GLU  27 -12.291  -4.110 -11.770
  203    H    ALA  28           H        ALA  28 -15.285  -3.629  -8.307
  204    HA   ALA  28           HA       ALA  28 -15.373  -1.641  -6.092
  205   1HB   ALA  28          1HB       ALA  28 -16.806  -4.234  -6.641
  206   2HB   ALA  28          3HB       ALA  28 -16.728  -3.588  -5.002
  207   3HB   ALA  28          2HB       ALA  28 -17.489  -2.647  -6.285
  208    H    VAL  29           H        VAL  29 -15.062  -2.922  -3.846
  209    HA   VAL  29           HA       VAL  29 -12.822  -4.851  -4.040
  210    HB   VAL  29           HB       VAL  29 -12.642  -2.159  -2.659
  211   1HG1  VAL  29          1HG1      VAL  29 -10.846  -4.595  -2.476
  212   2HG1  VAL  29          3HG1      VAL  29 -10.392  -2.987  -1.910
  213   3HG1  VAL  29          2HG1      VAL  29 -11.740  -3.840  -1.157
  214   1HG2  VAL  29          3HG2      VAL  29 -11.379  -3.462  -5.041
  215   2HG2  VAL  29          2HG2      VAL  29 -11.896  -1.790  -4.824
  216   3HG2  VAL  29          1HG2      VAL  29 -10.398  -2.354  -4.082
  217    H    LYS  30           H        LYS  30 -12.294  -5.723  -1.804
  218    HA   LYS  30           HA       LYS  30 -14.786  -5.761  -0.150
  219   1HB   LYS  30          2HB       LYS  30 -12.639  -7.864  -0.551
  220   2HB   LYS  30          1HB       LYS  30 -13.933  -7.997   0.640
  221   1HG   LYS  30          2HG       LYS  30 -15.097  -8.995  -1.035
  222   2HG   LYS  30          1HG       LYS  30 -15.335  -7.352  -1.631
  223   1HD   LYS  30          2HD       LYS  30 -13.778  -7.584  -3.310
  224   2HD   LYS  30          1HD       LYS  30 -12.789  -8.710  -2.380
  225   1HE   LYS  30          2HE       LYS  30 -15.528  -9.521  -3.326
  226   2HE   LYS  30          1HE       LYS  30 -14.142  -9.627  -4.412
  227   1HZ   LYS  30          2HZ       LYS  30 -13.342 -10.694  -1.982
  228   2HZ   LYS  30          1HZ       LYS  30 -14.873 -11.356  -2.305
  229   3HZ   LYS  30          3HZ       LYS  30 -13.622 -11.529  -3.437
  230    H    ARG  31           H        ARG  31 -14.612  -5.094   1.951
  231    HA   ARG  31           HA       ARG  31 -12.544  -3.592   2.973
  232   1HB   ARG  31          2HB       ARG  31 -14.175  -5.523   4.644
  233   2HB   ARG  31          1HB       ARG  31 -13.416  -4.029   5.192
  234   1HG   ARG  31          2HG       ARG  31 -15.158  -2.789   4.477
  235   2HG   ARG  31          1HG       ARG  31 -15.128  -3.556   2.888
  236   1HD   ARG  31          2HD       ARG  31 -16.104  -5.536   4.614
  237   2HD   ARG  31          1HD       ARG  31 -16.910  -4.055   5.129
  238    HE   ARG  31           HE       ARG  31 -17.030  -4.194   2.286
  239   1HH1  ARG  31          2HH1      ARG  31 -17.924  -6.251   4.874
  240   2HH1  ARG  31          1HH1      ARG  31 -19.510  -6.575   4.259
  241   1HH2  ARG  31          1HH2      ARG  31 -19.205  -4.395   1.579
  242   2HH2  ARG  31          2HH2      ARG  31 -20.235  -5.524   2.394
  243    H    ASP  32           H        ASP  32 -10.430  -4.050   3.333
  244    HA   ASP  32           HA       ASP  32  -8.530  -5.233   4.071
  245   1HB   ASP  32          2HB       ASP  32 -10.384  -6.169   5.740
  246   2HB   ASP  32          1HB       ASP  32 -10.161  -7.635   4.786
  247    H    GLU  33           H        GLU  33  -8.927  -5.234   1.433
  248    HA   GLU  33           HA       GLU  33  -8.352  -8.057   0.642
  249   1HB   GLU  33          2HB       GLU  33 -10.668  -7.306  -0.054
  250   2HB   GLU  33          1HB       GLU  33  -9.895  -6.080  -1.059
  251   1HG   GLU  33          2HG       GLU  33  -9.929  -7.706  -2.654
  252   2HG   GLU  33          1HG       GLU  33  -8.506  -8.310  -1.806
  253    H    LEU  34           H        LEU  34  -6.404  -8.209  -0.361
  254    HA   LEU  34           HA       LEU  34  -4.543  -6.205  -0.667
  255   1HB   LEU  34          2HB       LEU  34  -4.092  -8.620  -1.061
  256   2HB   LEU  34          1HB       LEU  34  -4.928  -8.503  -2.610
  257    HG   LEU  34           HG       LEU  34  -3.307  -6.818  -3.373
  258   1HD1  LEU  34          3HD1      LEU  34  -2.039  -7.284  -0.656
  259   2HD1  LEU  34          2HD1      LEU  34  -1.304  -6.358  -1.964
  260   3HD1  LEU  34          1HD1      LEU  34  -2.794  -5.791  -1.211
  261   1HD2  LEU  34          2HD2      LEU  34  -2.160  -9.385  -2.248
  262   2HD2  LEU  34          1HD2      LEU  34  -2.718  -9.087  -3.894
  263   3HD2  LEU  34          3HD2      LEU  34  -1.245  -8.314  -3.308
  264    H    ILE  35           H        ILE  35  -3.768  -5.060  -2.649
  265    HA   ILE  35           HA       ILE  35  -5.850  -4.617  -4.715
  266    HB   ILE  35           HB       ILE  35  -4.576  -2.346  -3.158
  267   1HG1  ILE  35          2HG1      ILE  35  -6.266  -3.691  -1.861
  268   2HG1  ILE  35          1HG1      ILE  35  -6.758  -2.020  -2.145
  269   1HG2  ILE  35          2HG2      ILE  35  -6.440  -2.545  -5.506
  270   2HG2  ILE  35          1HG2      ILE  35  -6.566  -1.167  -4.412
  271   3HG2  ILE  35          3HG2      ILE  35  -5.057  -1.476  -5.271
  272   1HD1  ILE  35          3HD1      ILE  35  -7.564  -4.255  -4.010
  273   2HD1  ILE  35          2HD1      ILE  35  -8.525  -3.834  -2.593
  274   3HD1  ILE  35          1HD1      ILE  35  -8.268  -2.644  -3.870
  275    H    VAL  36           H        VAL  36  -2.567  -3.845  -3.564
  276    HA   VAL  36           HA       VAL  36  -1.559  -4.307  -6.296
  277    HB   VAL  36           HB       VAL  36  -2.166  -1.864  -6.174
  278   1HG1  VAL  36          1HG1      VAL  36  -0.011  -1.906  -4.041
  279   2HG1  VAL  36          3HG1      VAL  36  -0.646  -0.438  -4.785
  280   3HG1  VAL  36          2HG1      VAL  36  -1.705  -1.465  -3.818
  281   1HG2  VAL  36          3HG2      VAL  36   0.393  -3.069  -6.880
  282   2HG2  VAL  36          2HG2      VAL  36  -0.550  -1.860  -7.753
  283   3HG2  VAL  36          1HG2      VAL  36   0.567  -1.359  -6.483
  284    H    ASP  37           H        ASP  37   0.497  -5.167  -6.228
  285    HA   ASP  37           HA       ASP  37   1.713  -5.443  -3.524
  286   1HB   ASP  37          2HB       ASP  37   1.771  -7.053  -6.043
  287   2HB   ASP  37          1HB       ASP  37   3.190  -7.115  -4.995
  288    H    ILE  38           H        ILE  38   4.134  -5.295  -3.433
  289    HA   ILE  38           HA       ILE  38   5.213  -3.395  -5.472
  290    HB   ILE  38           HB       ILE  38   5.540  -3.253  -2.459
  291   1HG1  ILE  38          2HG1      ILE  38   4.524  -1.029  -4.192
  292   2HG1  ILE  38          1HG1      ILE  38   3.428  -2.359  -3.812
  293   1HG2  ILE  38          2HG2      ILE  38   6.791  -1.621  -4.690
  294   2HG2  ILE  38          1HG2      ILE  38   6.865  -1.194  -2.981
  295   3HG2  ILE  38          3HG2      ILE  38   7.638  -2.671  -3.555
  296   1HD1  ILE  38          2HD1      ILE  38   4.976  -0.773  -1.742
  297   2HD1  ILE  38          1HD1      ILE  38   3.288  -0.482  -2.164
  298   3HD1  ILE  38          3HD1      ILE  38   3.762  -2.012  -1.425
  299    H    GLU  39           H        GLU  39   7.539  -3.526  -5.746
  300    HA   GLU  39           HA       GLU  39   8.678  -6.105  -4.741
  301   1HB   GLU  39          2HB       GLU  39   8.234  -5.847  -7.261
  302   2HB   GLU  39          1HB       GLU  39   9.550  -4.673  -7.255
  303   1HG   GLU  39          2HG       GLU  39  11.047  -6.391  -6.258
  304   2HG   GLU  39          1HG       GLU  39   9.734  -7.564  -6.361
  305    H    THR  40           H        THR  40  10.887  -6.069  -4.074
  306    HA   THR  40           HA       THR  40  12.123  -3.361  -3.859
  307    HB   THR  40           HB       THR  40  12.618  -5.170  -1.580
  308    HG1  THR  40           HG1      THR  40  10.628  -5.080  -0.761
  309   1HG2  THR  40          2HG2      THR  40  12.073  -2.261  -2.090
  310   2HG2  THR  40          1HG2      THR  40  11.940  -2.902  -0.452
  311   3HG2  THR  40          3HG2      THR  40  13.470  -3.012  -1.320
  312    H    ASP  41           H        ASP  41  14.519  -3.693  -3.060
  313    HA   ASP  41           HA       ASP  41  16.032  -4.958  -4.979
  314   1HB   ASP  41          2HB       ASP  41  16.636  -3.609  -2.696
  315   2HB   ASP  41          1HB       ASP  41  17.137  -5.239  -2.244
  316    H    LYS  42           H        LYS  42  15.525  -6.446  -1.756
  317    HA   LYS  42           HA       LYS  42  15.335  -9.086  -3.134
  318   1HB   LYS  42          2HB       LYS  42  17.066  -8.364  -0.755
  319   2HB   LYS  42          1HB       LYS  42  16.675 -10.029  -1.190
  320   1HG   LYS  42          2HG       LYS  42  17.485  -9.052  -3.604
  321   2HG   LYS  42          1HG       LYS  42  18.505  -8.118  -2.510
  322   1HD   LYS  42          2HD       LYS  42  18.897 -10.454  -1.355
  323   2HD   LYS  42          1HD       LYS  42  18.397 -11.088  -2.924
  324   1HE   LYS  42          2HE       LYS  42  20.658 -10.862  -3.326
  325   2HE   LYS  42          1HE       LYS  42  20.128  -9.246  -3.794
  326   1HZ   LYS  42          1HZ       LYS  42  20.622  -9.512  -0.979
  327   2HZ   LYS  42          3HZ       LYS  42  22.002  -9.806  -1.921
  328   3HZ   LYS  42          2HZ       LYS  42  21.170  -8.332  -2.070
  329    H    VAL  43           H        VAL  43  13.180  -7.483  -2.166
  330    HA   VAL  43           HA       VAL  43  12.014  -9.393  -0.258
  331    HB   VAL  43           HB       VAL  43  12.176  -6.447   0.444
  332   1HG1  VAL  43          2HG1      VAL  43  10.155  -7.859   1.164
  333   2HG1  VAL  43          1HG1      VAL  43  11.286  -8.762   2.171
  334   3HG1  VAL  43          3HG1      VAL  43  11.039  -7.038   2.450
  335   1HG2  VAL  43          3HG2      VAL  43  13.640  -8.851   1.582
  336   2HG2  VAL  43          2HG2      VAL  43  14.368  -7.502   0.709
  337   3HG2  VAL  43          1HG2      VAL  43  13.649  -7.239   2.299
  338    H    VAL  44           H        VAL  44   9.753  -9.427  -0.420
  339    HA   VAL  44           HA       VAL  44   8.597  -7.527  -2.423
  340    HB   VAL  44           HB       VAL  44   7.844 -10.399  -1.800
  341   1HG1  VAL  44          2HG1      VAL  44   6.547  -8.276  -3.511
  342   2HG1  VAL  44          1HG1      VAL  44   6.311  -9.993  -3.834
  343   3HG1  VAL  44          3HG1      VAL  44   5.798  -9.308  -2.292
  344   1HG2  VAL  44          1HG2      VAL  44   9.764  -9.270  -3.543
  345   2HG2  VAL  44          3HG2      VAL  44   9.199 -10.941  -3.519
  346   3HG2  VAL  44          2HG2      VAL  44   8.410  -9.759  -4.562
  347    H    MET  45           H        MET  45   6.789  -6.384  -1.805
  348    HA   MET  45           HA       MET  45   5.624  -7.057   0.869
  349   1HB   MET  45          2HB       MET  45   6.056  -4.331  -0.392
  350   2HB   MET  45          1HB       MET  45   5.189  -4.611   1.119
  351   1HG   MET  45          2HG       MET  45   7.174  -5.519   2.164
  352   2HG   MET  45          1HG       MET  45   8.054  -5.473   0.637
  353   1HE   MET  45          2HE       MET  45   6.038  -3.596   3.164
  354   2HE   MET  45          1HE       MET  45   6.568  -1.916   3.107
  355   3HE   MET  45          3HE       MET  45   5.535  -2.566   1.826
  356    H    GLU  46           H        GLU  46   3.361  -5.802   1.010
  357    HA   GLU  46           HA       GLU  46   1.944  -6.049  -1.600
  358   1HB   GLU  46          2HB       GLU  46   0.662  -7.096   0.909
  359   2HB   GLU  46          1HB       GLU  46   0.317  -7.509  -0.771
  360   1HG   GLU  46          2HG       GLU  46   2.486  -8.667  -0.941
  361   2HG   GLU  46          1HG       GLU  46   2.843  -8.250   0.735
  362    H    VAL  47           H        VAL  47  -0.168  -4.918  -1.573
  363    HA   VAL  47           HA       VAL  47  -0.311  -2.828   0.564
  364    HB   VAL  47           HB       VAL  47  -0.950  -2.397  -2.368
  365   1HG1  VAL  47          2HG1      VAL  47  -1.435  -0.914   0.056
  366   2HG1  VAL  47          1HG1      VAL  47  -0.325  -0.009  -0.975
  367   3HG1  VAL  47          3HG1      VAL  47  -1.899  -0.507  -1.596
  368   1HG2  VAL  47          2HG2      VAL  47   1.594  -2.365  -0.904
  369   2HG2  VAL  47          1HG2      VAL  47   1.301  -2.353  -2.642
  370   3HG2  VAL  47          3HG2      VAL  47   1.255  -0.844  -1.730
  371    H    LEU  48           H        LEU  48  -2.097  -3.510   1.696
  372    HA   LEU  48           HA       LEU  48  -4.461  -4.489   0.193
  373   1HB   LEU  48          2HB       LEU  48  -3.333  -4.997   2.796
  374   2HB   LEU  48          1HB       LEU  48  -4.992  -4.424   2.976
  375    HG   LEU  48           HG       LEU  48  -5.449  -6.120   0.994
  376   1HD1  LEU  48          2HD1      LEU  48  -2.710  -6.580   1.546
  377   2HD1  LEU  48          1HD1      LEU  48  -3.584  -7.979   2.170
  378   3HD1  LEU  48          3HD1      LEU  48  -3.758  -7.514   0.478
  379   1HD2  LEU  48          1HD2      LEU  48  -4.961  -6.976   3.866
  380   2HD2  LEU  48          3HD2      LEU  48  -6.446  -6.258   3.241
  381   3HD2  LEU  48          2HD2      LEU  48  -5.943  -7.858   2.696
  382    H    ALA  49           H        ALA  49  -6.593  -3.552   0.682
  383    HA   ALA  49           HA       ALA  49  -6.444  -0.629   0.869
  384   1HB   ALA  49          3HB       ALA  49  -8.559  -2.642   0.213
  385   2HB   ALA  49          2HB       ALA  49  -9.070  -1.041   0.747
  386   3HB   ALA  49          1HB       ALA  49  -8.058  -1.211  -0.688
  387    H    GLU  50           H        GLU  50  -7.874   0.562   2.408
  388    HA   GLU  50           HA       GLU  50  -7.680  -0.653   5.090
  389   1HB   GLU  50          2HB       GLU  50  -7.427   1.959   4.086
  390   2HB   GLU  50          1HB       GLU  50  -8.923   1.968   5.021
  391   1HG   GLU  50          2HG       GLU  50  -6.780   0.495   6.361
  392   2HG   GLU  50          1HG       GLU  50  -6.361   2.184   6.070
  393    H    ALA  51           H        ALA  51  -9.931  -0.718   2.672
  394    HA   ALA  51           HA       ALA  51 -11.984  -1.939   4.066
  395   1HB   ALA  51          1HB       ALA  51 -12.133   1.064   4.256
  396   2HB   ALA  51          3HB       ALA  51 -13.606   0.094   4.253
  397   3HB   ALA  51          2HB       ALA  51 -12.401  -0.136   5.520
  398    H    ASP  52           H        ASP  52 -14.063  -1.956   2.821
  399    HA   ASP  52           HA       ASP  52 -13.652  -2.174   0.044
  400   1HB   ASP  52          2HB       ASP  52 -15.575  -3.263   0.680
  401   2HB   ASP  52          1HB       ASP  52 -16.050  -2.008   1.817
  402    H    GLY  53           H        GLY  53 -14.920  -0.815  -1.615
  403   1HA   GLY  53          2HA       GLY  53 -15.796   1.755  -1.473
  404   2HA   GLY  53          1HA       GLY  53 -14.053   1.981  -1.287
  405    H    VAL  54           H        VAL  54 -13.888   3.067  -3.324
  406    HA   VAL  54           HA       VAL  54 -13.986   1.196  -5.645
  407    HB   VAL  54           HB       VAL  54 -15.121   3.998  -5.504
  408   1HG1  VAL  54          1HG1      VAL  54 -14.254   2.337  -7.868
  409   2HG1  VAL  54          3HG1      VAL  54 -15.545   3.528  -8.019
  410   3HG1  VAL  54          2HG1      VAL  54 -13.926   4.039  -7.541
  411   1HG2  VAL  54          2HG2      VAL  54 -16.175   1.270  -5.590
  412   2HG2  VAL  54          1HG2      VAL  54 -17.000   2.777  -5.188
  413   3HG2  VAL  54          3HG2      VAL  54 -16.835   2.286  -6.873
  414    H    ILE  55           H        ILE  55 -12.010   1.142  -6.584
  415    HA   ILE  55           HA       ILE  55  -9.853   2.833  -5.794
  416    HB   ILE  55           HB       ILE  55 -10.110   1.254  -8.370
  417   1HG1  ILE  55          2HG1      ILE  55 -10.589  -0.004  -6.194
  418   2HG1  ILE  55          1HG1      ILE  55  -9.271  -0.641  -7.175
  419   1HG2  ILE  55          3HG2      ILE  55  -7.784   2.376  -6.795
  420   2HG2  ILE  55          2HG2      ILE  55  -7.580   1.085  -7.980
  421   3HG2  ILE  55          1HG2      ILE  55  -8.189   2.660  -8.488
  422   1HD1  ILE  55          2HD1      ILE  55  -8.467   1.433  -5.234
  423   2HD1  ILE  55          1HD1      ILE  55  -9.055  -0.064  -4.511
  424   3HD1  ILE  55          3HD1      ILE  55  -7.691  -0.100  -5.629
  425    H    ALA  56           H        ALA  56  -8.626   4.273  -7.363
  426    HA   ALA  56           HA       ALA  56 -10.588   5.974  -8.835
  427   1HB   ALA  56          1HB       ALA  56  -8.852   6.742  -6.911
  428   2HB   ALA  56          3HB       ALA  56  -7.825   6.950  -8.328
  429   3HB   ALA  56          2HB       ALA  56  -9.360   7.811  -8.217
  430    H    GLU  57           H        GLU  57  -7.083   5.294  -9.153
  431    HA   GLU  57           HA       GLU  57  -7.316   4.099 -11.752
  432   1HB   GLU  57          2HB       GLU  57  -7.915   6.644 -12.069
  433   2HB   GLU  57          1HB       GLU  57  -6.169   6.868 -11.945
  434   1HG   GLU  57          2HG       GLU  57  -6.861   4.642 -13.701
  435   2HG   GLU  57          1HG       GLU  57  -7.569   6.162 -14.250
  436    H    ILE  58           H        ILE  58  -5.244   3.440 -12.538
  437    HA   ILE  58           HA       ILE  58  -3.131   3.544 -10.477
  438    HB   ILE  58           HB       ILE  58  -3.050   2.090 -13.130
  439   1HG1  ILE  58          2HG1      ILE  58  -3.842   0.734 -10.579
  440   2HG1  ILE  58          1HG1      ILE  58  -5.070   1.659 -11.451
  441   1HG2  ILE  58          3HG2      ILE  58  -1.543   1.970 -10.527
  442   2HG2  ILE  58          2HG2      ILE  58  -1.639   0.545 -11.561
  443   3HG2  ILE  58          1HG2      ILE  58  -0.909   2.030 -12.172
  444   1HD1  ILE  58          3HD1      ILE  58  -3.333  -0.311 -12.920
  445   2HD1  ILE  58          2HD1      ILE  58  -4.753  -0.868 -12.036
  446   3HD1  ILE  58          1HD1      ILE  58  -4.932   0.292 -13.352
  447    H    VAL  59           H        VAL  59  -0.979   4.281 -10.960
  448    HA   VAL  59           HA       VAL  59  -0.937   6.383 -13.059
  449    HB   VAL  59           HB       VAL  59   0.850   5.815 -10.681
  450   1HG1  VAL  59          3HG1      VAL  59   1.116   7.895 -12.871
  451   2HG1  VAL  59          2HG1      VAL  59   2.008   7.937 -11.351
  452   3HG1  VAL  59          1HG1      VAL  59   2.265   6.614 -12.488
  453   1HG2  VAL  59          1HG2      VAL  59  -1.344   6.900 -10.241
  454   2HG2  VAL  59          3HG2      VAL  59   0.003   7.989  -9.912
  455   3HG2  VAL  59          2HG2      VAL  59  -0.932   8.166 -11.398
  456    H    LYS  60           H        LYS  60   1.517   4.106 -11.774
  457    HA   LYS  60           HA       LYS  60   2.670   3.921 -14.493
  458   1HB   LYS  60          2HB       LYS  60   3.645   3.630 -11.768
  459   2HB   LYS  60          1HB       LYS  60   4.110   2.252 -12.765
  460   1HG   LYS  60          2HG       LYS  60   4.625   5.179 -13.358
  461   2HG   LYS  60          1HG       LYS  60   5.830   3.950 -12.973
  462   1HD   LYS  60          2HD       LYS  60   5.933   3.296 -15.124
  463   2HD   LYS  60          1HD       LYS  60   4.184   3.078 -15.189
  464   1HE   LYS  60          2HE       LYS  60   4.053   4.898 -16.503
  465   2HE   LYS  60          1HE       LYS  60   4.624   5.869 -15.147
  466   1HZ   LYS  60          3HZ       LYS  60   6.920   5.243 -15.829
  467   2HZ   LYS  60          2HZ       LYS  60   6.265   4.545 -17.233
  468   3HZ   LYS  60          1HZ       LYS  60   6.101   6.213 -16.953
  469    H    ASN  61           H        ASN  61   3.662   1.391 -14.593
  470    HA   ASN  61           HA       ASN  61   1.248  -0.355 -14.314
  471   1HB   ASN  61          2HB       ASN  61   3.181  -0.077 -16.621
  472   2HB   ASN  61          1HB       ASN  61   2.176  -1.512 -16.416
  473   1HD2  ASN  61          2HD2      ASN  61   0.400   2.047 -17.445
  474   2HD2  ASN  61          1HD2      ASN  61   1.978   2.051 -16.797
  475    H    GLU  62           H        GLU  62   1.911  -2.748 -14.386
  476    HA   GLU  62           HA       GLU  62   3.873  -3.240 -12.347
  477   1HB   GLU  62          2HB       GLU  62   3.018  -5.398 -14.248
  478   2HB   GLU  62          1HB       GLU  62   3.238  -5.474 -12.499
  479   1HG   GLU  62          2HG       GLU  62   1.003  -5.234 -12.320
  480   2HG   GLU  62          1HG       GLU  62   1.226  -3.567 -12.852
  481    H    GLY  63           H        GLY  63   5.951  -4.226 -12.550
  482   1HA   GLY  63          2HA       GLY  63   7.923  -4.908 -13.679
  483   2HA   GLY  63          1HA       GLY  63   7.075  -4.704 -15.216
  484    H    ASP  64           H        ASP  64   6.573  -1.964 -13.371
  485    HA   ASP  64           HA       ASP  64   8.680  -0.530 -14.906
  486   1HB   ASP  64          2HB       ASP  64   6.737   0.613 -15.358
  487   2HB   ASP  64          1HB       ASP  64   5.995   0.198 -13.814
  488    H    THR  65           H        THR  65   9.594   1.425 -13.667
  489    HA   THR  65           HA       THR  65  10.572   0.420 -11.048
  490    HB   THR  65           HB       THR  65  11.517   2.663 -12.854
  491    HG1  THR  65           HG1      THR  65  12.303   0.852 -13.666
  492   1HG2  THR  65          3HG2      THR  65  12.446   1.773 -10.119
  493   2HG2  THR  65          2HG2      THR  65  13.471   2.697 -11.218
  494   3HG2  THR  65          1HG2      THR  65  11.963   3.392 -10.624
  495    H    VAL  66           H        VAL  66   9.785   1.260  -9.179
  496    HA   VAL  66           HA       VAL  66   7.965   3.583  -9.327
  497    HB   VAL  66           HB       VAL  66   7.388   3.015  -7.022
  498   1HG1  VAL  66          3HG1      VAL  66   6.369   1.692  -8.862
  499   2HG1  VAL  66          2HG1      VAL  66   7.675   0.515  -8.718
  500   3HG1  VAL  66          1HG1      VAL  66   6.541   0.741  -7.386
  501   1HG2  VAL  66          3HG2      VAL  66   9.961   1.574  -7.213
  502   2HG2  VAL  66          2HG2      VAL  66   9.167   2.276  -5.802
  503   3HG2  VAL  66          1HG2      VAL  66   8.680   0.685  -6.386
  504    H    LEU  67           H        LEU  67   8.222   5.112  -7.278
  505    HA   LEU  67           HA       LEU  67  11.093   5.640  -6.724
  506   1HB   LEU  67          2HB       LEU  67  10.116   6.995  -8.746
  507   2HB   LEU  67          1HB       LEU  67   9.305   7.932  -7.491
  508    HG   LEU  67           HG       LEU  67  12.063   7.508  -6.758
  509   1HD1  LEU  67          3HD1      LEU  67  11.638   7.820  -9.568
  510   2HD1  LEU  67          2HD1      LEU  67  12.318   9.326  -8.950
  511   3HD1  LEU  67          1HD1      LEU  67  13.170   7.803  -8.694
  512   1HD2  LEU  67          1HD2      LEU  67  10.346   9.313  -6.083
  513   2HD2  LEU  67          3HD2      LEU  67  11.997   9.854  -6.388
  514   3HD2  LEU  67          2HD2      LEU  67  10.749  10.093  -7.612
  515    H    SER  68           H        SER  68  11.322   7.270  -4.929
  516    HA   SER  68           HA       SER  68   9.704   6.597  -2.698
  517   1HB   SER  68          2HB       SER  68  11.760   7.519  -2.092
  518   2HB   SER  68          1HB       SER  68  11.651   8.804  -3.292
  519    HG   SER  68           HG       SER  68  11.192   9.771  -1.387
  520    H    GLY  69           H        GLY  69   7.766   7.387  -1.976
  521   1HA   GLY  69          2HA       GLY  69   5.800   8.665  -1.920
  522   2HA   GLY  69          1HA       GLY  69   6.779  10.021  -2.484
  523    H    GLU  70           H        GLU  70   6.690   7.094  -4.363
  524    HA   GLU  70           HA       GLU  70   5.678   8.533  -6.671
  525   1HB   GLU  70          2HB       GLU  70   7.263   6.709  -6.985
  526   2HB   GLU  70          1HB       GLU  70   6.162   5.575  -6.198
  527   1HG   GLU  70          2HG       GLU  70   6.090   5.454  -8.705
  528   2HG   GLU  70          1HG       GLU  70   4.530   5.842  -7.977
  529    H    LEU  71           H        LEU  71   3.557   8.958  -7.011
  530    HA   LEU  71           HA       LEU  71   1.481   7.654  -5.442
  531   1HB   LEU  71          2HB       LEU  71   1.466  10.069  -6.317
  532   2HB   LEU  71          1HB       LEU  71   1.044   9.380  -7.885
  533    HG   LEU  71           HG       LEU  71  -0.535   8.452  -5.534
  534   1HD1  LEU  71          3HD1      LEU  71  -0.159  11.209  -5.974
  535   2HD1  LEU  71          2HD1      LEU  71  -1.727  10.828  -6.686
  536   3HD1  LEU  71          1HD1      LEU  71  -1.414  10.454  -4.991
  537   1HD2  LEU  71          2HD2      LEU  71  -0.692   7.933  -8.152
  538   2HD2  LEU  71          1HD2      LEU  71  -2.139   8.025  -7.148
  539   3HD2  LEU  71          3HD2      LEU  71  -1.662   9.406  -8.136
  540    H    LEU  72           H        LEU  72   0.985   5.560  -5.937
  541    HA   LEU  72           HA       LEU  72   1.130   4.630  -8.734
  542   1HB   LEU  72          2HB       LEU  72   0.293   3.114  -6.243
  543   2HB   LEU  72          1HB       LEU  72   0.712   2.417  -7.809
  544    HG   LEU  72           HG       LEU  72   2.826   4.170  -6.912
  545   1HD1  LEU  72          1HD1      LEU  72   1.885   3.555  -4.663
  546   2HD1  LEU  72          3HD1      LEU  72   2.172   1.861  -5.059
  547   3HD1  LEU  72          2HD1      LEU  72   3.531   2.977  -4.920
  548   1HD2  LEU  72          1HD2      LEU  72   2.430   1.684  -8.238
  549   2HD2  LEU  72          3HD2      LEU  72   3.935   2.590  -8.075
  550   3HD2  LEU  72          2HD2      LEU  72   3.501   1.375  -6.871
  551    H    GLY  73           H        GLY  73  -1.176   6.032  -6.688
  552   1HA   GLY  73          2HA       GLY  73  -3.264   6.262  -8.436
  553   2HA   GLY  73          1HA       GLY  73  -3.501   4.631  -7.798
  554    H    LYS  74           H        LYS  74  -5.562   5.979  -7.112
  555    HA   LYS  74           HA       LYS  74  -5.087   6.800  -4.290
  556   1HB   LYS  74          2HB       LYS  74  -6.993   8.303  -6.093
  557   2HB   LYS  74          1HB       LYS  74  -6.415   8.768  -4.492
  558   1HG   LYS  74          2HG       LYS  74  -4.251   9.283  -5.293
  559   2HG   LYS  74          1HG       LYS  74  -4.503   8.395  -6.796
  560   1HD   LYS  74          2HD       LYS  74  -6.373  10.645  -6.230
  561   2HD   LYS  74          1HD       LYS  74  -4.718  11.069  -6.671
  562   1HE   LYS  74          2HE       LYS  74  -5.687   8.958  -8.390
  563   2HE   LYS  74          1HE       LYS  74  -6.804  10.322  -8.418
  564   1HZ   LYS  74          3HZ       LYS  74  -3.869  10.539  -8.804
  565   2HZ   LYS  74          2HZ       LYS  74  -5.009  10.517 -10.064
  566   3HZ   LYS  74          1HZ       LYS  74  -5.001  11.794  -8.943
  567    H    LEU  75           H        LEU  75  -6.872   6.354  -2.905
  568    HA   LEU  75           HA       LEU  75  -8.820   4.429  -4.072
  569   1HB   LEU  75          2HB       LEU  75  -7.372   3.843  -2.041
  570   2HB   LEU  75          1HB       LEU  75  -8.360   4.991  -1.136
  571    HG   LEU  75           HG       LEU  75 -10.217   3.435  -2.528
  572   1HD1  LEU  75          1HD1      LEU  75  -7.833   1.975  -2.470
  573   2HD1  LEU  75          3HD1      LEU  75  -8.766   1.337  -1.116
  574   3HD1  LEU  75          2HD1      LEU  75  -9.449   1.322  -2.742
  575   1HD2  LEU  75          3HD2      LEU  75  -9.662   4.241   0.080
  576   2HD2  LEU  75          2HD2      LEU  75 -11.070   3.313  -0.434
  577   3HD2  LEU  75          1HD2      LEU  75  -9.639   2.481   0.177
  578    H    THR  76           H        THR  76 -11.069   4.727  -3.768
  579    HA   THR  76           HA       THR  76 -11.838   7.480  -2.886
  580    HB   THR  76           HB       THR  76 -13.396   5.691  -4.765
  581    HG1  THR  76           HG1      THR  76 -11.275   7.464  -5.197
  582   1HG2  THR  76          1HG2      THR  76 -13.576   8.523  -3.805
  583   2HG2  THR  76          3HG2      THR  76 -14.142   8.135  -5.429
  584   3HG2  THR  76          2HG2      THR  76 -14.861   7.337  -4.030
  585    H    GLU  77           H        GLU  77 -14.243   7.499  -2.134
  586    HA   GLU  77           HA       GLU  77 -14.476   5.560   0.034
  587   1HB   GLU  77          2HB       GLU  77 -16.510   7.619  -0.870
  588   2HB   GLU  77          1HB       GLU  77 -16.415   6.840   0.710
  589   1HG   GLU  77          2HG       GLU  77 -13.866   7.994   0.175
  590   2HG   GLU  77          1HG       GLU  77 -15.086   9.218  -0.176
  591    H    GLY  78           H        GLY  78 -17.458   5.515  -0.141
  592   1HA   GLY  78          2HA       GLY  78 -18.639   4.475  -2.371
  593   2HA   GLY  78          1HA       GLY  78 -17.656   3.117  -1.822
  594    H    GLY  79           HN       GLY  79 -20.637   3.466  -1.877
  595   1HA   GLY  79          2HA       GLY  79 -21.381   2.040   0.387
  596   2HA   GLY  79          1HA       GLY  79 -21.503   3.729   0.881
   
  No H/Q in entry =         596
  Start of MODEL   16
    1   1H    ALA   1          3H        ALA   1 -11.264   7.428   1.596
    2   2H    ALA   1          2H        ALA   1 -12.250   7.957   0.319
    3   3H    ALA   1          1H        ALA   1 -11.082   6.753   0.051
    4    HA   ALA   1           HA       ALA   1 -10.209   8.751  -0.838
    5   1HB   ALA   1          3HB       ALA   1 -11.501   9.849   1.568
    6   2HB   ALA   1          2HB       ALA   1  -9.904  10.525   1.247
    7   3HB   ALA   1          1HB       ALA   1 -11.166  10.624   0.020
    8    H    ILE   2           H        ILE   2  -8.383   7.361  -0.830
    9    HA   ILE   2           HA       ILE   2  -6.451   7.942   1.331
   10    HB   ILE   2           HB       ILE   2  -6.788   5.070   0.519
   11   1HG1  ILE   2          2HG1      ILE   2  -8.265   6.358   2.831
   12   2HG1  ILE   2          1HG1      ILE   2  -9.027   5.994   1.281
   13   1HG2  ILE   2          1HG2      ILE   2  -5.157   6.580   2.307
   14   2HG2  ILE   2          3HG2      ILE   2  -6.198   5.542   3.282
   15   3HG2  ILE   2          2HG2      ILE   2  -5.155   4.835   2.047
   16   1HD1  ILE   2          2HD1      ILE   2  -8.180   3.596   1.602
   17   2HD1  ILE   2          1HD1      ILE   2  -7.836   4.054   3.270
   18   3HD1  ILE   2          3HD1      ILE   2  -9.491   4.110   2.663
   19    H    ASP   3           H        ASP   3  -4.555   8.432   0.345
   20    HA   ASP   3           HA       ASP   3  -4.177   8.000  -2.491
   21   1HB   ASP   3          2HB       ASP   3  -3.180   9.933  -1.342
   22   2HB   ASP   3          1HB       ASP   3  -2.199   8.848  -0.351
   23    H    ILE   4           H        ILE   4  -2.624   6.602  -3.493
   24    HA   ILE   4           HA       ILE   4  -1.636   4.387  -1.743
   25    HB   ILE   4           HB       ILE   4  -2.687   4.092  -4.573
   26   1HG1  ILE   4          2HG1      ILE   4  -4.133   2.755  -2.400
   27   2HG1  ILE   4          1HG1      ILE   4  -4.183   4.514  -2.273
   28   1HG2  ILE   4          2HG2      ILE   4  -1.339   2.322  -2.609
   29   2HG2  ILE   4          1HG2      ILE   4  -2.727   1.624  -3.444
   30   3HG2  ILE   4          3HG2      ILE   4  -1.360   2.240  -4.371
   31   1HD1  ILE   4          3HD1      ILE   4  -4.564   3.830  -5.017
   32   2HD1  ILE   4          2HD1      ILE   4  -5.654   2.829  -4.058
   33   3HD1  ILE   4          1HD1      ILE   4  -5.717   4.585  -3.916
   34    H    LYS   5           H        LYS   5   0.316   5.900  -1.846
   35    HA   LYS   5           HA       LYS   5   1.769   5.687  -4.437
   36   1HB   LYS   5          2HB       LYS   5   3.347   7.325  -3.375
   37   2HB   LYS   5          1HB       LYS   5   1.696   7.933  -3.510
   38   1HG   LYS   5          2HG       LYS   5   1.270   7.662  -1.218
   39   2HG   LYS   5          1HG       LYS   5   2.589   6.510  -1.013
   40   1HD   LYS   5          2HD       LYS   5   4.169   8.148  -0.803
   41   2HD   LYS   5          1HD       LYS   5   3.376   9.202  -1.974
   42   1HE   LYS   5          2HE       LYS   5   2.926  10.391  -0.048
   43   2HE   LYS   5          1HE       LYS   5   1.524   9.323  -0.056
   44   1HZ   LYS   5          3HZ       LYS   5   4.068   8.796   1.382
   45   2HZ   LYS   5          2HZ       LYS   5   2.635   9.358   2.101
   46   3HZ   LYS   5          1HZ       LYS   5   2.689   7.810   1.402
   47    H    ALA   6           H        ALA   6   4.189   5.221  -4.183
   48    HA   ALA   6           HA       ALA   6   4.532   2.692  -2.863
   49   1HB   ALA   6          1HB       ALA   6   5.927   4.167  -4.781
   50   2HB   ALA   6          3HB       ALA   6   7.031   4.094  -3.409
   51   3HB   ALA   6          2HB       ALA   6   6.409   2.605  -4.118
   52    HA   PRO   7           HA       PRO   7   5.805   3.960   1.141
   53   1HB   PRO   7          2HB       PRO   7   7.458   1.858   1.779
   54   2HB   PRO   7          1HB       PRO   7   5.690   1.737   1.743
   55   1HG   PRO   7          2HG       PRO   7   7.684   0.689  -0.213
   56   2HG   PRO   7          1HG       PRO   7   6.053   0.100   0.152
   57   1HD   PRO   7          2HD       PRO   7   6.788   1.665  -2.090
   58   2HD   PRO   7          1HD       PRO   7   5.128   1.349  -1.534
   59    H    THR   8           H        THR   8   7.853   4.390   2.468
   60    HA   THR   8           HA       THR   8   9.801   5.778   0.802
   61    HB   THR   8           HB       THR   8  10.461   5.355   3.650
   62    HG1  THR   8           HG1      THR   8   8.701   6.852   4.185
   63   1HG2  THR   8          1HG2      THR   8  10.465   7.483   1.594
   64   2HG2  THR   8          3HG2      THR   8  10.164   8.027   3.244
   65   3HG2  THR   8          2HG2      THR   8  11.640   7.140   2.863
   66    H    PHE   9           H        PHE   9  11.923   5.152   0.381
   67    HA   PHE   9           HA       PHE   9  12.600   2.344   1.146
   68   1HB   PHE   9          2HB       PHE   9  13.740   4.033  -1.104
   69   2HB   PHE   9          1HB       PHE   9  14.058   2.320  -0.813
   70    HD1  PHE   9           HD1      PHE   9  11.301   1.437  -0.008
   71    HD2  PHE   9           HD2      PHE   9  12.633   3.972  -3.213
   72    HE1  PHE   9           HE1      PHE   9   9.283   0.836  -1.323
   73    HE2  PHE   9           HE2      PHE   9  10.617   3.371  -4.527
   74    HZ   PHE   9           HZ       PHE   9   8.942   1.803  -3.582
   75    HA   PRO  10           HA       PRO  10  15.968   3.857   3.525
   76   1HB   PRO  10          2HB       PRO  10  17.565   1.621   3.445
   77   2HB   PRO  10          1HB       PRO  10  16.097   1.741   4.431
   78   1HG   PRO  10          2HG       PRO  10  16.532   0.242   1.890
   79   2HG   PRO  10          1HG       PRO  10  15.382  -0.078   3.198
   80   1HD   PRO  10          2HD       PRO  10  14.774   1.145   0.717
   81   2HD   PRO  10          1HD       PRO  10  13.726   1.114   2.153
   82    H    GLU  11           H        GLU  11  18.400   4.188   3.373
   83    HA   GLU  11           HA       GLU  11  19.200   5.429   1.001
   84   1HB   GLU  11          2HB       GLU  11  20.551   4.430   3.415
   85   2HB   GLU  11          1HB       GLU  11  21.592   4.482   1.992
   86   1HG   GLU  11          2HG       GLU  11  21.710   6.730   2.073
   87   2HG   GLU  11          1HG       GLU  11  19.953   6.871   2.156
   88    H    SER  12           H        SER  12  20.076   2.109   2.032
   89    HA   SER  12           HA       SER  12  21.539   1.247  -0.132
   90   1HB   SER  12          2HB       SER  12  20.854  -0.148   1.854
   91   2HB   SER  12          1HB       SER  12  19.284  -0.375   1.080
   92    HG   SER  12           HG       SER  12  20.561  -2.076   0.469
   93    H    ILE  13           H        ILE  13  17.966   1.304   0.025
   94    HA   ILE  13           HA       ILE  13  17.874   0.772  -2.894
   95    HB   ILE  13           HB       ILE  13  15.524   1.106  -1.018
   96   1HG1  ILE  13          2HG1      ILE  13  16.913  -1.487  -1.751
   97   2HG1  ILE  13          1HG1      ILE  13  17.173  -0.645  -0.223
   98   1HG2  ILE  13          2HG2      ILE  13  15.691   0.844  -3.772
   99   2HG2  ILE  13          1HG2      ILE  13  15.402  -0.811  -3.234
  100   3HG2  ILE  13          3HG2      ILE  13  14.271   0.469  -2.795
  101   1HD1  ILE  13          2HD1      ILE  13  14.342  -0.888  -0.756
  102   2HD1  ILE  13          1HD1      ILE  13  15.112  -2.473  -0.823
  103   3HD1  ILE  13          3HD1      ILE  13  15.264  -1.479   0.626
  104    H    ALA  14           H        ALA  14  17.754   2.477  -4.265
  105    HA   ALA  14           HA       ALA  14  16.911   5.113  -3.167
  106   1HB   ALA  14          1HB       ALA  14  18.420   4.340  -5.677
  107   2HB   ALA  14          3HB       ALA  14  17.905   5.988  -5.320
  108   3HB   ALA  14          2HB       ALA  14  19.061   5.178  -4.264
  109    H    ASP  15           H        ASP  15  15.320   2.638  -4.381
  110    HA   ASP  15           HA       ASP  15  13.108   4.175  -5.342
  111   1HB   ASP  15          2HB       ASP  15  13.303   3.093  -7.747
  112   2HB   ASP  15          1HB       ASP  15  14.124   4.612  -7.391
  113    H    GLY  16           H        GLY  16  11.760   2.384  -6.897
  114   1HA   GLY  16          2HA       GLY  16  12.047  -0.309  -5.724
  115   2HA   GLY  16          1HA       GLY  16  10.562   0.553  -5.319
  116    H    THR  17           H        THR  17   9.791  -1.514  -6.562
  117    HA   THR  17           HA       THR  17   9.166  -0.634  -9.312
  118    HB   THR  17           HB       THR  17  10.184  -3.444  -8.883
  119    HG1  THR  17           HG1      THR  17  11.858  -2.019  -8.353
  120   1HG2  THR  17          2HG2      THR  17   8.781  -2.631 -10.910
  121   2HG2  THR  17          1HG2      THR  17  10.248  -1.778 -11.391
  122   3HG2  THR  17          3HG2      THR  17  10.261  -3.535 -11.233
  123    H    VAL  18           H        VAL  18   7.030  -1.025  -9.670
  124    HA   VAL  18           HA       VAL  18   5.303  -2.145  -7.745
  125    HB   VAL  18           HB       VAL  18   4.875  -2.069 -10.748
  126   1HG1  VAL  18          1HG1      VAL  18   2.980  -2.234  -8.387
  127   2HG1  VAL  18          3HG1      VAL  18   2.466  -1.894 -10.040
  128   3HG1  VAL  18          2HG1      VAL  18   3.210  -3.444  -9.649
  129   1HG2  VAL  18          1HG2      VAL  18   5.544   0.114  -9.586
  130   2HG2  VAL  18          3HG2      VAL  18   4.006   0.138 -10.448
  131   3HG2  VAL  18          2HG2      VAL  18   4.031  -0.016  -8.691
  132    H    ALA  19           H        ALA  19   3.998  -4.188  -7.989
  133    HA   ALA  19           HA       ALA  19   5.765  -6.394  -8.959
  134   1HB   ALA  19          2HB       ALA  19   4.613  -6.003  -6.456
  135   2HB   ALA  19          1HB       ALA  19   3.547  -7.180  -7.222
  136   3HB   ALA  19          3HB       ALA  19   5.270  -7.523  -7.062
  137    H    THR  20           H        THR  20   2.264  -6.217  -8.272
  138    HA   THR  20           HA       THR  20   1.604  -6.598 -11.102
  139    HB   THR  20           HB       THR  20   1.247  -8.821  -9.076
  140    HG1  THR  20           HG1      THR  20   2.673  -8.408 -11.446
  141   1HG2  THR  20          2HG2      THR  20  -0.852  -8.384 -10.372
  142   2HG2  THR  20          1HG2      THR  20   0.064  -8.632 -11.858
  143   3HG2  THR  20          3HG2      THR  20  -0.137  -9.959 -10.715
  144    H    TRP  21           H        TRP  21  -0.433  -5.783 -11.479
  145    HA   TRP  21           HA       TRP  21  -1.939  -4.790  -9.154
  146   1HB   TRP  21          2HB       TRP  21  -1.873  -4.277 -12.092
  147   2HB   TRP  21          1HB       TRP  21  -3.386  -3.973 -11.245
  148    HD1  TRP  21           HD1      TRP  21   0.093  -2.628 -11.715
  149    HE1  TRP  21           HE1      TRP  21   0.355  -0.432 -10.379
  150    HE3  TRP  21           HE3      TRP  21  -4.223  -2.715  -8.981
  151    HZ2  TRP  21           HZ2      TRP  21  -1.048   1.069  -8.442
  152    HZ3  TRP  21           HZ3      TRP  21  -4.737  -0.880  -7.390
  153    HH2  TRP  21           HH2      TRP  21  -3.154   1.014  -7.116
  154    H    HIS  22           H        HIS  22  -2.691  -6.886  -8.390
  155    HA   HIS  22           HA       HIS  22  -3.990  -8.908  -9.773
  156   1HB   HIS  22          2HB       HIS  22  -5.387  -7.907  -7.314
  157   2HB   HIS  22          1HB       HIS  22  -4.987  -9.564  -7.779
  158    HD1  HIS  22           HD1      HIS  22  -3.435  -6.436  -6.365
  159    HD2  HIS  22           HD2      HIS  22  -2.441 -10.442  -6.932
  160    HE1  HIS  22           HE1      HIS  22  -1.216  -6.786  -5.229
  161    H    LYS  23           H        LYS  23  -5.753  -6.098  -8.406
  162    HA   LYS  23           HA       LYS  23  -7.899  -6.606 -10.405
  163   1HB   LYS  23          2HB       LYS  23  -8.059  -4.553  -8.210
  164   2HB   LYS  23          1HB       LYS  23  -9.365  -5.455  -8.980
  165   1HG   LYS  23          2HG       LYS  23  -7.266  -6.591  -7.109
  166   2HG   LYS  23          1HG       LYS  23  -8.973  -6.347  -6.738
  167   1HD   LYS  23          2HD       LYS  23  -8.693  -7.861  -9.186
  168   2HD   LYS  23          1HD       LYS  23  -7.800  -8.641  -7.880
  169   1HE   LYS  23          2HE       LYS  23  -9.715  -9.355  -6.943
  170   2HE   LYS  23          1HE       LYS  23 -10.332  -7.704  -6.877
  171   1HZ   LYS  23          2HZ       LYS  23 -10.339  -8.872  -9.513
  172   2HZ   LYS  23          1HZ       LYS  23 -11.357  -9.661  -8.407
  173   3HZ   LYS  23          3HZ       LYS  23 -11.556  -8.004  -8.705
  174    H    LYS  24           H        LYS  24  -8.989  -4.163 -10.787
  175    HA   LYS  24           HA       LYS  24  -6.743  -2.494 -11.849
  176   1HB   LYS  24          2HB       LYS  24  -8.972  -3.740 -13.237
  177   2HB   LYS  24          1HB       LYS  24  -8.997  -1.987 -13.439
  178   1HG   LYS  24          2HG       LYS  24  -6.555  -2.103 -14.060
  179   2HG   LYS  24          1HG       LYS  24  -6.699  -3.861 -14.056
  180   1HD   LYS  24          2HD       LYS  24  -8.872  -2.813 -15.583
  181   2HD   LYS  24          1HD       LYS  24  -7.390  -2.042 -16.150
  182   1HE   LYS  24          2HE       LYS  24  -7.337  -3.974 -17.424
  183   2HE   LYS  24          1HE       LYS  24  -6.453  -4.527 -16.000
  184   1HZ   LYS  24          2HZ       LYS  24  -8.884  -5.065 -15.197
  185   2HZ   LYS  24          1HZ       LYS  24  -9.170  -5.163 -16.869
  186   3HZ   LYS  24          3HZ       LYS  24  -8.002  -6.160 -16.150
  187    HA   PRO  25           HA       PRO  25  -8.668   0.965  -9.963
  188   1HB   PRO  25          2HB       PRO  25  -8.328   2.915 -11.873
  189   2HB   PRO  25          1HB       PRO  25  -7.009   2.288 -10.867
  190   1HG   PRO  25          2HG       PRO  25  -7.609   1.734 -13.741
  191   2HG   PRO  25          1HG       PRO  25  -6.053   1.713 -12.895
  192   1HD   PRO  25          2HD       PRO  25  -7.560  -0.564 -13.591
  193   2HD   PRO  25          1HD       PRO  25  -6.227  -0.526 -12.419
  194    H    GLY  26           H        GLY  26 -10.905   0.329  -9.920
  195   1HA   GLY  26          2HA       GLY  26 -12.882   1.893 -10.875
  196   2HA   GLY  26          1HA       GLY  26 -12.574   0.881 -12.291
  197    H    GLU  27           H        GLU  27 -11.789  -1.298 -10.208
  198    HA   GLU  27           HA       GLU  27 -14.488  -2.460 -10.086
  199   1HB   GLU  27          2HB       GLU  27 -13.350  -4.479  -9.303
  200   2HB   GLU  27          1HB       GLU  27 -12.501  -3.834 -10.709
  201   1HG   GLU  27          2HG       GLU  27 -10.636  -3.916  -9.430
  202   2HG   GLU  27          1HG       GLU  27 -11.296  -2.511  -8.593
  203    H    ALA  28           H        ALA  28 -15.082  -3.583  -7.928
  204    HA   ALA  28           HA       ALA  28 -14.778  -1.558  -5.778
  205   1HB   ALA  28          2HB       ALA  28 -16.661  -3.908  -6.124
  206   2HB   ALA  28          1HB       ALA  28 -16.624  -2.889  -4.685
  207   3HB   ALA  28          3HB       ALA  28 -17.064  -2.195  -6.246
  208    H    VAL  29           H        VAL  29 -13.464  -1.946  -4.058
  209    HA   VAL  29           HA       VAL  29 -12.238  -4.640  -3.827
  210    HB   VAL  29           HB       VAL  29 -10.683  -3.463  -2.226
  211   1HG1  VAL  29          2HG1      VAL  29 -11.000  -2.305  -5.012
  212   2HG1  VAL  29          1HG1      VAL  29  -9.556  -2.127  -4.014
  213   3HG1  VAL  29          3HG1      VAL  29 -10.054  -3.726  -4.569
  214   1HG2  VAL  29          3HG2      VAL  29 -12.658  -1.599  -2.048
  215   2HG2  VAL  29          2HG2      VAL  29 -10.973  -1.269  -1.648
  216   3HG2  VAL  29          1HG2      VAL  29 -11.605  -0.831  -3.235
  217    H    LYS  30           H        LYS  30 -11.629  -4.849  -1.197
  218    HA   LYS  30           HA       LYS  30 -14.074  -4.338   0.388
  219   1HB   LYS  30          2HB       LYS  30 -13.352  -6.939  -0.744
  220   2HB   LYS  30          1HB       LYS  30 -13.524  -6.990   1.011
  221   1HG   LYS  30          2HG       LYS  30 -15.627  -5.414  -0.275
  222   2HG   LYS  30          1HG       LYS  30 -15.609  -7.093  -0.818
  223   1HD   LYS  30          2HD       LYS  30 -15.309  -7.554   1.790
  224   2HD   LYS  30          1HD       LYS  30 -16.112  -5.988   1.913
  225   1HE   LYS  30          2HE       LYS  30 -18.100  -6.907   1.398
  226   2HE   LYS  30          1HE       LYS  30 -17.433  -7.621  -0.072
  227   1HZ   LYS  30          3HZ       LYS  30 -16.758  -8.856   2.493
  228   2HZ   LYS  30          2HZ       LYS  30 -18.323  -9.103   1.881
  229   3HZ   LYS  30          1HZ       LYS  30 -16.967  -9.572   0.971
  230    H    ARG  31           H        ARG  31 -13.569  -4.025   2.537
  231    HA   ARG  31           HA       ARG  31 -11.044  -3.420   3.444
  232   1HB   ARG  31          2HB       ARG  31 -13.201  -3.129   4.721
  233   2HB   ARG  31          1HB       ARG  31 -13.102  -4.836   5.157
  234   1HG   ARG  31          2HG       ARG  31 -10.564  -3.571   5.662
  235   2HG   ARG  31          1HG       ARG  31 -11.845  -2.655   6.456
  236   1HD   ARG  31          2HD       ARG  31 -11.460  -5.654   6.695
  237   2HD   ARG  31          1HD       ARG  31 -10.956  -4.474   7.905
  238    HE   ARG  31           HE       ARG  31 -13.591  -3.874   7.671
  239   1HH1  ARG  31          1HH2      ARG  31 -13.807  -6.706   6.492
  240   2HH1  ARG  31          2HH2      ARG  31 -14.260  -7.606   7.901
  241   1HH2  ARG  31          1HH1      ARG  31 -14.005  -6.694   9.954
  242   2HH2  ARG  31          2HH1      ARG  31 -13.357  -5.097  10.118
  243    H    ASP  32           H        ASP  32  -9.202  -4.568   3.816
  244    HA   ASP  32           HA       ASP  32  -7.802  -6.398   4.304
  245   1HB   ASP  32          2HB       ASP  32  -9.744  -6.918   5.953
  246   2HB   ASP  32          1HB       ASP  32 -10.253  -8.098   4.746
  247    H    GLU  33           H        GLU  33  -8.156  -5.878   1.700
  248    HA   GLU  33           HA       GLU  33  -8.308  -8.594   0.503
  249   1HB   GLU  33          2HB       GLU  33 -10.492  -7.190   0.225
  250   2HB   GLU  33          1HB       GLU  33  -9.548  -6.258  -0.937
  251   1HG   GLU  33          2HG       GLU  33 -10.209  -7.839  -2.429
  252   2HG   GLU  33          1HG       GLU  33  -8.953  -8.830  -1.684
  253    H    LEU  34           H        LEU  34  -6.420  -8.902  -0.562
  254    HA   LEU  34           HA       LEU  34  -4.357  -7.117  -0.924
  255   1HB   LEU  34          2HB       LEU  34  -4.221  -9.543  -1.450
  256   2HB   LEU  34          1HB       LEU  34  -5.151  -9.256  -2.922
  257    HG   LEU  34           HG       LEU  34  -3.409  -7.747  -3.758
  258   1HD1  LEU  34          3HD1      LEU  34  -2.193  -8.316  -1.053
  259   2HD1  LEU  34          2HD1      LEU  34  -1.207  -7.765  -2.408
  260   3HD1  LEU  34          1HD1      LEU  34  -2.517  -6.752  -1.801
  261   1HD2  LEU  34          2HD2      LEU  34  -2.575 -10.495  -2.822
  262   2HD2  LEU  34          1HD2      LEU  34  -3.041  -9.982  -4.444
  263   3HD2  LEU  34          3HD2      LEU  34  -1.486  -9.488  -3.777
  264    H    ILE  35           H        ILE  35  -3.794  -5.538  -2.442
  265    HA   ILE  35           HA       ILE  35  -5.824  -4.949  -4.556
  266    HB   ILE  35           HB       ILE  35  -4.342  -2.835  -2.976
  267   1HG1  ILE  35          2HG1      ILE  35  -5.851  -4.189  -1.508
  268   2HG1  ILE  35          1HG1      ILE  35  -6.394  -2.521  -1.688
  269   1HG2  ILE  35          3HG2      ILE  35  -6.265  -2.902  -5.214
  270   2HG2  ILE  35          2HG2      ILE  35  -6.667  -1.754  -3.938
  271   3HG2  ILE  35          1HG2      ILE  35  -5.111  -1.648  -4.758
  272   1HD1  ILE  35          3HD1      ILE  35  -7.619  -3.784  -3.819
  273   2HD1  ILE  35          2HD1      ILE  35  -7.690  -5.009  -2.552
  274   3HD1  ILE  35          1HD1      ILE  35  -8.390  -3.414  -2.277
  275    H    VAL  36           H        VAL  36  -2.468  -4.490  -3.452
  276    HA   VAL  36           HA       VAL  36  -1.525  -4.864  -6.203
  277    HB   VAL  36           HB       VAL  36  -2.106  -2.406  -6.023
  278   1HG1  VAL  36          2HG1      VAL  36   0.106  -2.552  -3.956
  279   2HG1  VAL  36          1HG1      VAL  36  -0.436  -1.046  -4.698
  280   3HG1  VAL  36          3HG1      VAL  36  -1.548  -1.993  -3.711
  281   1HG2  VAL  36          3HG2      VAL  36  -0.365  -3.329  -7.578
  282   2HG2  VAL  36          2HG2      VAL  36  -0.032  -1.674  -7.068
  283   3HG2  VAL  36          1HG2      VAL  36   0.850  -3.016  -6.339
  284    H    ASP  37           H        ASP  37   0.642  -5.543  -6.232
  285    HA   ASP  37           HA       ASP  37   1.822  -6.024  -3.538
  286   1HB   ASP  37          2HB       ASP  37   1.997  -7.408  -6.189
  287   2HB   ASP  37          1HB       ASP  37   3.366  -7.537  -5.082
  288    H    ILE  38           H        ILE  38   4.040  -5.493  -3.159
  289    HA   ILE  38           HA       ILE  38   5.103  -3.433  -5.049
  290    HB   ILE  38           HB       ILE  38   5.828  -3.802  -2.129
  291   1HG1  ILE  38          2HG1      ILE  38   3.996  -1.664  -3.213
  292   2HG1  ILE  38          1HG1      ILE  38   3.353  -3.225  -2.700
  293   1HG2  ILE  38          2HG2      ILE  38   6.898  -2.240  -4.259
  294   2HG2  ILE  38          1HG2      ILE  38   6.079  -1.135  -3.154
  295   3HG2  ILE  38          3HG2      ILE  38   7.350  -2.201  -2.555
  296   1HD1  ILE  38          1HD1      ILE  38   5.202  -1.692  -0.889
  297   2HD1  ILE  38          3HD1      ILE  38   3.488  -1.281  -0.955
  298   3HD1  ILE  38          2HD1      ILE  38   3.988  -2.901  -0.468
  299    H    GLU  39           H        GLU  39   7.362  -3.509  -5.558
  300    HA   GLU  39           HA       GLU  39   8.841  -5.931  -4.672
  301   1HB   GLU  39          2HB       GLU  39   7.596  -5.759  -7.180
  302   2HB   GLU  39          1HB       GLU  39   9.295  -5.405  -7.495
  303   1HG   GLU  39          2HG       GLU  39   9.846  -7.458  -6.079
  304   2HG   GLU  39          1HG       GLU  39   8.131  -7.859  -6.167
  305    H    THR  40           H        THR  40  10.387  -4.721  -3.570
  306    HA   THR  40           HA       THR  40  11.657  -2.424  -4.926
  307    HB   THR  40           HB       THR  40  12.647  -3.495  -2.314
  308    HG1  THR  40           HG1      THR  40  10.193  -2.132  -2.715
  309   1HG2  THR  40          3HG2      THR  40  12.579  -0.974  -3.826
  310   2HG2  THR  40          2HG2      THR  40  12.212  -0.788  -2.111
  311   3HG2  THR  40          1HG2      THR  40  13.732  -1.528  -2.612
  312    H    ASP  41           H        ASP  41  14.254  -2.519  -4.284
  313    HA   ASP  41           HA       ASP  41  15.526  -4.088  -6.151
  314   1HB   ASP  41          2HB       ASP  41  16.367  -2.419  -4.115
  315   2HB   ASP  41          1HB       ASP  41  17.068  -3.971  -3.659
  316    H    LYS  42           H        LYS  42  14.820  -5.039  -2.785
  317    HA   LYS  42           HA       LYS  42  14.716  -7.853  -3.620
  318   1HB   LYS  42          2HB       LYS  42  16.954  -6.714  -1.989
  319   2HB   LYS  42          1HB       LYS  42  16.353  -8.321  -1.580
  320   1HG   LYS  42          2HG       LYS  42  17.519  -9.189  -3.295
  321   2HG   LYS  42          1HG       LYS  42  16.598  -8.188  -4.419
  322   1HD   LYS  42          2HD       LYS  42  18.610  -7.226  -4.869
  323   2HD   LYS  42          1HD       LYS  42  18.335  -6.352  -3.361
  324   1HE   LYS  42          2HE       LYS  42  19.395  -8.946  -2.742
  325   2HE   LYS  42          1HE       LYS  42  20.427  -8.185  -3.951
  326   1HZ   LYS  42          2HZ       LYS  42  19.987  -6.137  -2.315
  327   2HZ   LYS  42          1HZ       LYS  42  19.917  -7.417  -1.199
  328   3HZ   LYS  42          3HZ       LYS  42  21.304  -7.197  -2.149
  329    H    VAL  43           H        VAL  43  12.985  -5.743  -2.361
  330    HA   VAL  43           HA       VAL  43  12.263  -7.301   0.088
  331    HB   VAL  43           HB       VAL  43  11.810  -4.327  -0.181
  332   1HG1  VAL  43          3HG1      VAL  43  10.675  -5.965   1.542
  333   2HG1  VAL  43          2HG1      VAL  43  12.238  -5.880   2.354
  334   3HG1  VAL  43          1HG1      VAL  43  11.298  -4.411   2.094
  335   1HG2  VAL  43          1HG2      VAL  43  14.251  -4.846  -0.397
  336   2HG2  VAL  43          3HG2      VAL  43  13.868  -3.962   1.080
  337   3HG2  VAL  43          2HG2      VAL  43  14.171  -5.698   1.145
  338    H    VAL  44           H        VAL  44  10.449  -8.380  -0.586
  339    HA   VAL  44           HA       VAL  44   8.523  -7.031  -2.376
  340    HB   VAL  44           HB       VAL  44   8.552  -9.827  -1.196
  341   1HG1  VAL  44          1HG1      VAL  44   6.280  -8.786  -1.803
  342   2HG1  VAL  44          3HG1      VAL  44   6.846  -8.806  -3.473
  343   3HG1  VAL  44          2HG1      VAL  44   6.680 -10.317  -2.580
  344   1HG2  VAL  44          3HG2      VAL  44  10.013  -8.647  -3.326
  345   2HG2  VAL  44          2HG2      VAL  44   9.914 -10.358  -2.910
  346   3HG2  VAL  44          1HG2      VAL  44   8.774  -9.664  -4.063
  347    H    MET  45           H        MET  45   6.666  -6.094  -1.638
  348    HA   MET  45           HA       MET  45   5.640  -6.863   1.044
  349   1HB   MET  45          2HB       MET  45   6.574  -4.137   0.188
  350   2HB   MET  45          1HB       MET  45   5.248  -4.281   1.340
  351   1HG   MET  45          2HG       MET  45   7.972  -5.574   1.656
  352   2HG   MET  45          1HG       MET  45   7.441  -4.111   2.486
  353   1HE   MET  45          2HE       MET  45   8.478  -5.876   4.381
  354   2HE   MET  45          1HE       MET  45   7.595  -7.290   4.953
  355   3HE   MET  45          3HE       MET  45   8.373  -7.311   3.365
  356    H    GLU  46           H        GLU  46   3.634  -7.586   0.465
  357    HA   GLU  46           HA       GLU  46   2.170  -6.685  -1.819
  358   1HB   GLU  46          2HB       GLU  46   0.820  -7.795   0.633
  359   2HB   GLU  46          1HB       GLU  46   0.433  -8.074  -1.066
  360   1HG   GLU  46          2HG       GLU  46   2.774  -9.170  -1.210
  361   2HG   GLU  46          1HG       GLU  46   2.707  -9.217   0.552
  362    H    VAL  47           H        VAL  47  -0.122  -5.677  -1.519
  363    HA   VAL  47           HA       VAL  47  -0.059  -3.560   0.581
  364    HB   VAL  47           HB       VAL  47  -0.837  -3.041  -2.301
  365   1HG1  VAL  47          1HG1      VAL  47  -0.985  -1.568   0.208
  366   2HG1  VAL  47          3HG1      VAL  47  -0.044  -0.695  -1.002
  367   3HG1  VAL  47          2HG1      VAL  47  -1.702  -1.183  -1.357
  368   1HG2  VAL  47          3HG2      VAL  47   1.800  -2.895  -0.887
  369   2HG2  VAL  47          2HG2      VAL  47   1.451  -3.339  -2.558
  370   3HG2  VAL  47          1HG2      VAL  47   1.414  -1.645  -2.069
  371    H    LEU  48           H        LEU  48  -1.794  -4.306   1.771
  372    HA   LEU  48           HA       LEU  48  -4.254  -5.147   0.344
  373   1HB   LEU  48          2HB       LEU  48  -3.022  -5.782   2.874
  374   2HB   LEU  48          1HB       LEU  48  -4.663  -5.192   3.145
  375    HG   LEU  48           HG       LEU  48  -4.895  -6.868   0.923
  376   1HD1  LEU  48          1HD1      LEU  48  -2.594  -7.630   2.517
  377   2HD1  LEU  48          3HD1      LEU  48  -3.829  -8.888   2.562
  378   3HD1  LEU  48          2HD1      LEU  48  -3.189  -8.337   1.014
  379   1HD2  LEU  48          1HD2      LEU  48  -5.392  -7.421   3.867
  380   2HD2  LEU  48          3HD2      LEU  48  -6.516  -6.645   2.752
  381   3HD2  LEU  48          2HD2      LEU  48  -6.090  -8.344   2.536
  382    H    ALA  49           H        ALA  49  -6.316  -4.147   0.867
  383    HA   ALA  49           HA       ALA  49  -6.056  -1.251   1.301
  384   1HB   ALA  49          2HB       ALA  49  -8.256  -3.101   0.435
  385   2HB   ALA  49          1HB       ALA  49  -8.667  -1.489   1.020
  386   3HB   ALA  49          3HB       ALA  49  -7.613  -1.676  -0.382
  387    H    GLU  50           H        GLU  50  -6.884  -0.134   3.088
  388    HA   GLU  50           HA       GLU  50  -7.505  -1.836   5.448
  389   1HB   GLU  50          2HB       GLU  50  -6.018   0.592   5.044
  390   2HB   GLU  50          1HB       GLU  50  -7.339   0.908   6.171
  391   1HG   GLU  50          2HG       GLU  50  -5.588  -1.529   6.472
  392   2HG   GLU  50          1HG       GLU  50  -5.109   0.027   7.152
  393    H    ALA  51           H        ALA  51  -9.315  -0.749   3.103
  394    HA   ALA  51           HA       ALA  51 -11.732  -0.624   4.602
  395   1HB   ALA  51          3HB       ALA  51 -10.286   1.794   4.694
  396   2HB   ALA  51          2HB       ALA  51 -11.584   2.062   3.530
  397   3HB   ALA  51          1HB       ALA  51 -11.966   1.544   5.172
  398    H    ASP  52           H        ASP  52 -13.476  -0.806   3.192
  399    HA   ASP  52           HA       ASP  52 -12.972  -1.444   0.466
  400   1HB   ASP  52          2HB       ASP  52 -14.955  -2.375   1.167
  401   2HB   ASP  52          1HB       ASP  52 -15.404  -0.977   2.138
  402    H    GLY  53           H        GLY  53 -14.138  -0.240  -1.375
  403   1HA   GLY  53          2HA       GLY  53 -14.908   2.358  -1.564
  404   2HA   GLY  53          1HA       GLY  53 -13.164   2.540  -1.344
  405    H    VAL  54           H        VAL  54 -14.005   3.497  -3.677
  406    HA   VAL  54           HA       VAL  54 -13.516   1.322  -5.671
  407    HB   VAL  54           HB       VAL  54 -14.998   3.951  -5.901
  408   1HG1  VAL  54          1HG1      VAL  54 -13.560   3.572  -7.895
  409   2HG1  VAL  54          3HG1      VAL  54 -14.296   1.983  -8.100
  410   3HG1  VAL  54          2HG1      VAL  54 -15.275   3.439  -8.281
  411   1HG2  VAL  54          3HG2      VAL  54 -16.036   1.732  -4.996
  412   2HG2  VAL  54          2HG2      VAL  54 -16.911   2.624  -6.242
  413   3HG2  VAL  54          1HG2      VAL  54 -15.961   1.202  -6.677
  414    H    ILE  55           H        ILE  55 -11.571   1.408  -6.678
  415    HA   ILE  55           HA       ILE  55  -9.628   3.421  -6.135
  416    HB   ILE  55           HB       ILE  55  -9.731   1.559  -8.527
  417   1HG1  ILE  55          2HG1      ILE  55 -10.011   0.492  -6.216
  418   2HG1  ILE  55          1HG1      ILE  55  -8.644  -0.082  -7.169
  419   1HG2  ILE  55          1HG2      ILE  55  -7.570   3.175  -7.179
  420   2HG2  ILE  55          3HG2      ILE  55  -7.176   1.743  -8.131
  421   3HG2  ILE  55          2HG2      ILE  55  -7.989   3.112  -8.890
  422   1HD1  ILE  55          3HD1      ILE  55  -7.969   2.264  -5.560
  423   2HD1  ILE  55          2HD1      ILE  55  -8.511   0.906  -4.574
  424   3HD1  ILE  55          1HD1      ILE  55  -7.146   0.709  -5.672
  425    H    ALA  56           H        ALA  56  -8.628   4.855  -7.843
  426    HA   ALA  56           HA       ALA  56 -10.799   6.102  -9.470
  427   1HB   ALA  56          2HB       ALA  56  -9.649   7.508  -7.723
  428   2HB   ALA  56          1HB       ALA  56  -8.150   7.315  -8.632
  429   3HB   ALA  56          3HB       ALA  56  -9.520   8.157  -9.358
  430    H    GLU  57           H        GLU  57  -7.229   5.804  -9.678
  431    HA   GLU  57           HA       GLU  57  -7.326   4.456 -12.230
  432   1HB   GLU  57          2HB       GLU  57  -6.447   6.300 -13.620
  433   2HB   GLU  57          1HB       GLU  57  -8.047   6.692 -12.989
  434   1HG   GLU  57          2HG       GLU  57  -7.233   8.505 -11.937
  435   2HG   GLU  57          1HG       GLU  57  -6.041   7.515 -11.093
  436    H    ILE  58           H        ILE  58  -5.338   3.520 -12.596
  437    HA   ILE  58           HA       ILE  58  -3.209   4.114 -10.635
  438    HB   ILE  58           HB       ILE  58  -3.319   1.994 -12.803
  439   1HG1  ILE  58          2HG1      ILE  58  -5.135   1.594 -11.275
  440   2HG1  ILE  58          1HG1      ILE  58  -3.831   0.498 -10.807
  441   1HG2  ILE  58          2HG2      ILE  58  -1.087   2.808 -11.645
  442   2HG2  ILE  58          1HG2      ILE  58  -1.684   1.848 -10.291
  443   3HG2  ILE  58          3HG2      ILE  58  -1.397   1.085 -11.855
  444   1HD1  ILE  58          3HD1      ILE  58  -3.099   2.188  -9.106
  445   2HD1  ILE  58          2HD1      ILE  58  -4.520   3.151  -9.511
  446   3HD1  ILE  58          1HD1      ILE  58  -4.714   1.548  -8.801
  447    H    VAL  59           H        VAL  59  -1.205   4.976 -11.196
  448    HA   VAL  59           HA       VAL  59  -1.082   6.295 -13.837
  449    HB   VAL  59           HB       VAL  59   0.759   6.456 -11.430
  450   1HG1  VAL  59          1HG1      VAL  59   1.870   6.942 -13.613
  451   2HG1  VAL  59          3HG1      VAL  59   0.652   8.178 -13.924
  452   3HG1  VAL  59          2HG1      VAL  59   1.769   8.362 -12.572
  453   1HG2  VAL  59          1HG2      VAL  59  -1.631   7.999 -12.375
  454   2HG2  VAL  59          3HG2      VAL  59  -1.168   7.553 -10.733
  455   3HG2  VAL  59          2HG2      VAL  59  -0.336   8.872 -11.557
  456    H    LYS  60           H        LYS  60   1.269   4.429 -11.870
  457    HA   LYS  60           HA       LYS  60   2.644   3.625 -14.358
  458   1HB   LYS  60          2HB       LYS  60   3.386   3.960 -11.598
  459   2HB   LYS  60          1HB       LYS  60   3.772   2.316 -12.105
  460   1HG   LYS  60          2HG       LYS  60   5.665   3.791 -12.587
  461   2HG   LYS  60          1HG       LYS  60   4.944   3.235 -14.098
  462   1HD   LYS  60          2HD       LYS  60   5.268   5.575 -14.390
  463   2HD   LYS  60          1HD       LYS  60   3.549   5.387 -14.043
  464   1HE   LYS  60          2HE       LYS  60   3.712   6.558 -12.118
  465   2HE   LYS  60          1HE       LYS  60   5.141   5.658 -11.609
  466   1HZ   LYS  60          3HZ       LYS  60   6.047   7.178 -13.665
  467   2HZ   LYS  60          2HZ       LYS  60   4.952   8.220 -12.886
  468   3HZ   LYS  60          1HZ       LYS  60   6.241   7.534 -12.017
  469    H    ASN  61           H        ASN  61   3.013   1.359 -14.860
  470    HA   ASN  61           HA       ASN  61   0.769  -0.363 -13.920
  471   1HB   ASN  61          2HB       ASN  61   2.611  -0.753 -16.298
  472   2HB   ASN  61          1HB       ASN  61   1.152  -1.676 -15.936
  473   1HD2  ASN  61          2HD2      ASN  61  -0.728   1.614 -16.431
  474   2HD2  ASN  61          1HD2      ASN  61  -0.354   0.737 -15.017
  475    H    GLU  62           H        GLU  62   1.269  -2.645 -13.453
  476    HA   GLU  62           HA       GLU  62   3.480  -2.962 -11.686
  477   1HB   GLU  62          2HB       GLU  62   2.935  -5.420 -11.850
  478   2HB   GLU  62          1HB       GLU  62   1.547  -4.402 -11.467
  479   1HG   GLU  62          2HG       GLU  62   0.571  -5.542 -13.188
  480   2HG   GLU  62          1HG       GLU  62   1.436  -4.363 -14.182
  481    H    GLY  63           H        GLY  63   5.518  -3.903 -11.987
  482   1HA   GLY  63          2HA       GLY  63   7.173  -5.125 -13.269
  483   2HA   GLY  63          1HA       GLY  63   6.221  -4.822 -14.728
  484    H    ASP  64           H        ASP  64   6.037  -1.937 -13.373
  485    HA   ASP  64           HA       ASP  64   8.464  -0.967 -14.792
  486   1HB   ASP  64          2HB       ASP  64   6.733   0.257 -15.679
  487   2HB   ASP  64          1HB       ASP  64   5.761   0.167 -14.211
  488    H    THR  65           H        THR  65   9.428   1.075 -13.741
  489    HA   THR  65           HA       THR  65   9.858   0.465 -10.854
  490    HB   THR  65           HB       THR  65  11.489   2.236 -12.700
  491    HG1  THR  65           HG1      THR  65  11.508   0.026 -13.299
  492   1HG2  THR  65          3HG2      THR  65  11.602   2.635 -10.197
  493   2HG2  THR  65          2HG2      THR  65  12.240   0.998 -10.044
  494   3HG2  THR  65          1HG2      THR  65  13.136   2.212 -10.955
  495    H    VAL  66           H        VAL  66   9.637   2.117  -9.286
  496    HA   VAL  66           HA       VAL  66   8.460   4.686 -10.255
  497    HB   VAL  66           HB       VAL  66   7.004   4.518  -8.114
  498   1HG1  VAL  66          2HG1      VAL  66   6.654   3.615 -10.797
  499   2HG1  VAL  66          1HG1      VAL  66   5.833   2.470  -9.738
  500   3HG1  VAL  66          3HG1      VAL  66   5.418   4.183  -9.674
  501   1HG2  VAL  66          1HG2      VAL  66   8.482   2.277  -7.659
  502   2HG2  VAL  66          3HG2      VAL  66   6.863   2.522  -7.003
  503   3HG2  VAL  66          2HG2      VAL  66   7.084   1.575  -8.474
  504    H    LEU  67           H        LEU  67   8.658   6.438  -8.620
  505    HA   LEU  67           HA       LEU  67  11.231   6.195  -7.185
  506   1HB   LEU  67          2HB       LEU  67   9.406   8.534  -7.790
  507   2HB   LEU  67          1HB       LEU  67  10.851   8.679  -6.791
  508    HG   LEU  67           HG       LEU  67  11.087   7.368  -9.474
  509   1HD1  LEU  67          3HD1      LEU  67   9.790   9.591  -9.651
  510   2HD1  LEU  67          2HD1      LEU  67  11.291  10.362  -9.138
  511   3HD1  LEU  67          1HD1      LEU  67  11.246   9.430 -10.634
  512   1HD2  LEU  67          2HD2      LEU  67  12.806   8.317  -7.373
  513   2HD2  LEU  67          1HD2      LEU  67  13.250   7.458  -8.849
  514   3HD2  LEU  67          3HD2      LEU  67  13.158   9.219  -8.846
  515    H    SER  68           H        SER  68  11.428   6.453  -4.931
  516    HA   SER  68           HA       SER  68   9.454   5.408  -3.252
  517   1HB   SER  68          2HB       SER  68  11.527   5.579  -2.210
  518   2HB   SER  68          1HB       SER  68  11.802   7.217  -2.795
  519    HG   SER  68           HG       SER  68  10.759   7.981  -1.126
  520    H    GLY  69           H        GLY  69   7.412   6.162  -2.976
  521   1HA   GLY  69          2HA       GLY  69   5.862   7.763  -2.058
  522   2HA   GLY  69          1HA       GLY  69   7.046   9.037  -2.349
  523    H    GLU  70           H        GLU  70   6.463   6.744  -4.883
  524    HA   GLU  70           HA       GLU  70   5.443   8.903  -6.594
  525   1HB   GLU  70          2HB       GLU  70   7.068   7.320  -7.520
  526   2HB   GLU  70          1HB       GLU  70   5.985   5.973  -7.166
  527   1HG   GLU  70          2HG       GLU  70   5.673   6.497  -9.485
  528   2HG   GLU  70          1HG       GLU  70   4.260   7.125  -8.638
  529    H    LEU  71           H        LEU  71   3.315   9.203  -7.109
  530    HA   LEU  71           HA       LEU  71   1.260   7.780  -5.692
  531   1HB   LEU  71          2HB       LEU  71   1.073  10.135  -6.579
  532   2HB   LEU  71          1HB       LEU  71   0.928   9.452  -8.198
  533    HG   LEU  71           HG       LEU  71  -0.868   8.198  -6.242
  534   1HD1  LEU  71          2HD1      LEU  71  -0.610  10.851  -5.779
  535   2HD1  LEU  71          1HD1      LEU  71  -1.799  10.893  -7.080
  536   3HD1  LEU  71          3HD1      LEU  71  -2.140   9.993  -5.602
  537   1HD2  LEU  71          1HD2      LEU  71  -1.013   9.370  -9.017
  538   2HD2  LEU  71          3HD2      LEU  71  -1.244   7.695  -8.516
  539   3HD2  LEU  71          2HD2      LEU  71  -2.482   8.901  -8.161
  540    H    LEU  72           H        LEU  72   0.720   5.697  -6.126
  541    HA   LEU  72           HA       LEU  72   1.057   4.670  -8.892
  542   1HB   LEU  72          2HB       LEU  72   0.154   2.991  -6.568
  543   2HB   LEU  72          1HB       LEU  72   1.118   2.524  -7.970
  544    HG   LEU  72           HG       LEU  72   2.111   4.460  -5.867
  545   1HD1  LEU  72          2HD1      LEU  72   1.648   1.700  -5.539
  546   2HD1  LEU  72          1HD1      LEU  72   3.379   1.856  -5.835
  547   3HD1  LEU  72          3HD1      LEU  72   2.629   2.740  -4.506
  548   1HD2  LEU  72          1HD2      LEU  72   3.039   4.117  -8.355
  549   2HD2  LEU  72          3HD2      LEU  72   4.128   4.383  -6.993
  550   3HD2  LEU  72          2HD2      LEU  72   3.851   2.749  -7.593
  551    H    GLY  73           H        GLY  73  -1.395   5.639  -6.639
  552   1HA   GLY  73          2HA       GLY  73  -3.470   5.636  -8.576
  553   2HA   GLY  73          1HA       GLY  73  -3.605   4.140  -7.643
  554    H    LYS  74           H        LYS  74  -5.575   6.203  -7.583
  555    HA   LYS  74           HA       LYS  74  -5.271   7.129  -4.753
  556   1HB   LYS  74          2HB       LYS  74  -6.321   8.553  -7.182
  557   2HB   LYS  74          1HB       LYS  74  -6.963   8.961  -5.590
  558   1HG   LYS  74          2HG       LYS  74  -4.106   8.782  -5.407
  559   2HG   LYS  74          1HG       LYS  74  -4.521   9.838  -6.759
  560   1HD   LYS  74          2HD       LYS  74  -6.080  10.209  -4.251
  561   2HD   LYS  74          1HD       LYS  74  -4.395  10.730  -4.220
  562   1HE   LYS  74          2HE       LYS  74  -4.810  12.502  -5.563
  563   2HE   LYS  74          1HE       LYS  74  -5.776  11.531  -6.674
  564   1HZ   LYS  74          3HZ       LYS  74  -7.590  11.635  -4.998
  565   2HZ   LYS  74          2HZ       LYS  74  -6.660  12.751  -4.119
  566   3HZ   LYS  74          1HZ       LYS  74  -7.196  13.135  -5.684
  567    H    LEU  75           H        LEU  75  -6.931   6.543  -3.405
  568    HA   LEU  75           HA       LEU  75  -9.114   4.924  -4.578
  569   1HB   LEU  75          2HB       LEU  75  -7.732   4.238  -2.516
  570   2HB   LEU  75          1HB       LEU  75  -8.656   5.459  -1.640
  571    HG   LEU  75           HG       LEU  75 -10.703   4.214  -2.827
  572   1HD1  LEU  75          3HD1      LEU  75  -8.395   2.308  -2.901
  573   2HD1  LEU  75          2HD1      LEU  75  -9.991   1.671  -2.507
  574   3HD1  LEU  75          1HD1      LEU  75  -9.727   2.499  -4.041
  575   1HD2  LEU  75          1HD2      LEU  75  -9.197   3.587  -0.301
  576   2HD2  LEU  75          3HD2      LEU  75 -10.768   4.365  -0.494
  577   3HD2  LEU  75          2HD2      LEU  75 -10.612   2.624  -0.729
  578    H    THR  76           H        THR  76 -11.347   5.400  -4.128
  579    HA   THR  76           HA       THR  76 -11.822   8.294  -3.584
  580    HB   THR  76           HB       THR  76 -12.599   7.118  -5.764
  581    HG1  THR  76           HG1      THR  76 -14.219   8.554  -5.868
  582   1HG2  THR  76          2HG2      THR  76 -13.629   5.219  -4.320
  583   2HG2  THR  76          1HG2      THR  76 -14.963   6.346  -4.080
  584   3HG2  THR  76          3HG2      THR  76 -14.544   5.809  -5.707
  585    H    GLU  77           H        GLU  77 -14.581   7.972  -3.079
  586    HA   GLU  77           HA       GLU  77 -14.489   7.402  -0.231
  587   1HB   GLU  77          2HB       GLU  77 -16.902   7.896  -2.003
  588   2HB   GLU  77          1HB       GLU  77 -16.859   8.006  -0.244
  589   1HG   GLU  77          2HG       GLU  77 -14.991   9.655  -1.941
  590   2HG   GLU  77          1HG       GLU  77 -16.631  10.207  -1.601
  591    H    GLY  78           H        GLY  78 -16.557   6.005   0.566
  592   1HA   GLY  78          2HA       GLY  78 -15.992   3.290  -0.351
  593   2HA   GLY  78          1HA       GLY  78 -17.126   3.737   0.925
  594    H    GLY  79           HN       GLY  79 -18.676   5.593  -0.634
  595   1HA   GLY  79          2HA       GLY  79 -19.607   4.658  -3.110
  596   2HA   GLY  79          1HA       GLY  79 -20.502   3.751  -1.890
   
  No H/Q in entry =         596
  Start of MODEL   17
    1   1H    ALA   1          2H        ALA   1 -10.456   7.741   1.493
    2   2H    ALA   1          1H        ALA   1 -11.500   9.078   1.401
    3   3H    ALA   1          3H        ALA   1 -11.275   8.085   0.044
    4    HA   ALA   1           HA       ALA   1  -9.654   9.402  -0.641
    5   1HB   ALA   1          3HB       ALA   1  -9.940  10.716   2.079
    6   2HB   ALA   1          2HB       ALA   1  -8.993  11.370   0.743
    7   3HB   ALA   1          1HB       ALA   1 -10.743  11.213   0.589
    8    H    ILE   2           H        ILE   2  -8.474   7.234  -0.313
    9    HA   ILE   2           HA       ILE   2  -6.288   7.572   1.702
   10    HB   ILE   2           HB       ILE   2  -7.115   4.980   0.376
   11   1HG1  ILE   2          2HG1      ILE   2  -7.937   5.974   3.121
   12   2HG1  ILE   2          1HG1      ILE   2  -8.987   6.049   1.705
   13   1HG2  ILE   2          3HG2      ILE   2  -4.821   5.342   1.515
   14   2HG2  ILE   2          2HG2      ILE   2  -5.730   5.400   3.026
   15   3HG2  ILE   2          1HG2      ILE   2  -5.770   3.947   2.028
   16   1HD1  ILE   2          1HD1      ILE   2  -8.310   3.476   1.520
   17   2HD1  ILE   2          3HD1      ILE   2  -8.059   3.668   3.255
   18   3HD1  ILE   2          2HD1      ILE   2  -9.642   4.001   2.550
   19    H    ASP   3           H        ASP   3  -4.558   8.434   0.636
   20    HA   ASP   3           HA       ASP   3  -4.101   7.940  -2.203
   21   1HB   ASP   3          2HB       ASP   3  -3.489  10.070  -0.925
   22   2HB   ASP   3          1HB       ASP   3  -2.142   9.153  -0.242
   23    H    ILE   4           H        ILE   4  -3.039   6.197  -3.003
   24    HA   ILE   4           HA       ILE   4  -1.460   4.525  -1.113
   25    HB   ILE   4           HB       ILE   4  -2.581   3.947  -3.871
   26   1HG1  ILE   4          2HG1      ILE   4  -4.275   3.984  -2.109
   27   2HG1  ILE   4          1HG1      ILE   4  -3.966   2.312  -2.580
   28   1HG2  ILE   4          3HG2      ILE   4  -0.932   2.241  -1.984
   29   2HG2  ILE   4          2HG2      ILE   4  -1.819   1.600  -3.367
   30   3HG2  ILE   4          1HG2      ILE   4  -0.495   2.739  -3.618
   31   1HD1  ILE   4          3HD1      ILE   4  -2.299   2.199  -0.666
   32   2HD1  ILE   4          2HD1      ILE   4  -2.929   3.758  -0.132
   33   3HD1  ILE   4          1HD1      ILE   4  -3.989   2.349  -0.181
   34    H    LYS   5           H        LYS   5   0.651   5.177  -1.083
   35    HA   LYS   5           HA       LYS   5   1.971   5.623  -3.731
   36   1HB   LYS   5          2HB       LYS   5   2.519   7.036  -1.102
   37   2HB   LYS   5          1HB       LYS   5   3.474   7.236  -2.571
   38   1HG   LYS   5          2HG       LYS   5   1.018   7.701  -3.585
   39   2HG   LYS   5          1HG       LYS   5   0.752   8.247  -1.930
   40   1HD   LYS   5          2HD       LYS   5   3.300   9.222  -2.834
   41   2HD   LYS   5          1HD       LYS   5   2.068   9.644  -4.023
   42   1HE   LYS   5          2HE       LYS   5   1.191  11.207  -2.659
   43   2HE   LYS   5          1HE       LYS   5   1.069  10.051  -1.332
   44   1HZ   LYS   5          1HZ       LYS   5   3.764  10.873  -1.886
   45   2HZ   LYS   5          3HZ       LYS   5   2.763  12.163  -1.429
   46   3HZ   LYS   5          2HZ       LYS   5   2.929  10.816  -0.407
   47    H    ALA   6           H        ALA   6   4.382   5.188  -3.605
   48    HA   ALA   6           HA       ALA   6   4.819   2.605  -2.336
   49   1HB   ALA   6          3HB       ALA   6   6.136   4.263  -4.333
   50   2HB   ALA   6          2HB       ALA   6   7.300   3.575  -3.200
   51   3HB   ALA   6          1HB       ALA   6   6.218   2.515  -4.105
   52    HA   PRO   7           HA       PRO   7   6.765   3.934   1.363
   53   1HB   PRO   7          2HB       PRO   7   8.633   1.946   1.693
   54   2HB   PRO   7          1HB       PRO   7   6.898   1.712   1.963
   55   1HG   PRO   7          2HG       PRO   7   8.584   0.783  -0.315
   56   2HG   PRO   7          1HG       PRO   7   7.082   0.094   0.324
   57   1HD   PRO   7          2HD       PRO   7   7.316   1.690  -2.004
   58   2HD   PRO   7          1HD       PRO   7   5.802   1.271  -1.169
   59    H    THR   8           H        THR   8   8.372   5.405   1.866
   60    HA   THR   8           HA       THR   8  10.224   6.338  -0.068
   61    HB   THR   8           HB       THR   8  10.221   6.582   2.952
   62    HG1  THR   8           HG1      THR   8   8.545   7.566   1.615
   63   1HG2  THR   8          3HG2      THR   8  12.511   6.837   1.922
   64   2HG2  THR   8          2HG2      THR   8  11.866   8.176   0.973
   65   3HG2  THR   8          1HG2      THR   8  11.913   8.285   2.732
   66    H    PHE   9           H        PHE   9  12.277   5.690  -0.611
   67    HA   PHE   9           HA       PHE   9  13.298   3.235   0.704
   68   1HB   PHE   9          2HB       PHE   9  14.605   4.562  -1.658
   69   2HB   PHE   9          1HB       PHE   9  14.535   2.846  -1.243
   70    HD1  PHE   9           HD2      PHE   9  11.855   2.122  -0.860
   71    HD2  PHE   9           HD1      PHE   9  13.398   5.069  -3.581
   72    HE1  PHE   9           HE2      PHE   9   9.843   1.856  -2.288
   73    HE2  PHE   9           HE1      PHE   9  11.387   4.803  -5.009
   74    HZ   PHE   9           HZ       PHE   9   9.610   3.197  -4.364
   75    HA   PRO  10           HA       PRO  10  16.406   5.470   2.864
   76   1HB   PRO  10          2HB       PRO  10  18.137   3.380   3.301
   77   2HB   PRO  10          1HB       PRO  10  16.621   3.598   4.193
   78   1HG   PRO  10          2HG       PRO  10  17.264   1.645   2.032
   79   2HG   PRO  10          1HG       PRO  10  16.076   1.520   3.340
   80   1HD   PRO  10          2HD       PRO  10  15.511   2.164   0.640
   81   2HD   PRO  10          1HD       PRO  10  14.401   2.356   2.016
   82    H    GLU  11           H        GLU  11  19.140   5.051   2.812
   83    HA   GLU  11           HA       GLU  11  19.887   6.222   0.268
   84   1HB   GLU  11          2HB       GLU  11  21.102   5.796   2.859
   85   2HB   GLU  11          1HB       GLU  11  22.220   5.327   1.578
   86   1HG   GLU  11          2HG       GLU  11  22.509   7.467   0.895
   87   2HG   GLU  11          1HG       GLU  11  20.785   7.823   1.007
   88    H    SER  12           H        SER  12  20.597   3.077   1.820
   89    HA   SER  12           HA       SER  12  22.187   1.867  -0.069
   90   1HB   SER  12          2HB       SER  12  21.343   0.759   2.001
   91   2HB   SER  12          1HB       SER  12  19.773   0.556   1.218
   92    HG   SER  12           HG       SER  12  20.596  -1.178   0.381
   93    H    ILE  13           H        ILE  13  18.609   1.958  -0.211
   94    HA   ILE  13           HA       ILE  13  18.732   1.062  -3.031
   95    HB   ILE  13           HB       ILE  13  16.379   1.609  -1.195
   96   1HG1  ILE  13          2HG1      ILE  13  16.644  -1.102  -2.119
   97   2HG1  ILE  13          1HG1      ILE  13  18.174  -0.588  -1.406
   98   1HG2  ILE  13          1HG2      ILE  13  16.605   1.076  -4.089
   99   2HG2  ILE  13          3HG2      ILE  13  15.465   0.032  -3.241
  100   3HG2  ILE  13          2HG2      ILE  13  15.273   1.784  -3.176
  101   1HD1  ILE  13          3HD1      ILE  13  16.262   0.433   0.340
  102   2HD1  ILE  13          2HD1      ILE  13  15.622  -1.150  -0.101
  103   3HD1  ILE  13          1HD1      ILE  13  17.234  -1.016   0.603
  104    H    ALA  14           H        ALA  14  17.845   2.340  -4.746
  105    HA   ALA  14           HA       ALA  14  17.521   5.237  -4.067
  106   1HB   ALA  14          3HB       ALA  14  19.247   3.882  -6.029
  107   2HB   ALA  14          2HB       ALA  14  18.308   5.212  -6.706
  108   3HB   ALA  14          1HB       ALA  14  19.384   5.499  -5.340
  109    H    ASP  15           H        ASP  15  15.705   2.731  -4.746
  110    HA   ASP  15           HA       ASP  15  13.482   4.114  -5.739
  111   1HB   ASP  15          2HB       ASP  15  13.582   3.044  -8.150
  112   2HB   ASP  15          1HB       ASP  15  14.385   4.582  -7.835
  113    H    GLY  16           H        GLY  16  12.102   2.284  -7.207
  114   1HA   GLY  16          2HA       GLY  16  12.548  -0.403  -6.074
  115   2HA   GLY  16          1HA       GLY  16  11.069   0.410  -5.560
  116    H    THR  17           H        THR  17  10.184  -1.603  -6.736
  117    HA   THR  17           HA       THR  17   9.432  -0.758  -9.466
  118    HB   THR  17           HB       THR  17  10.834  -3.366  -8.835
  119    HG1  THR  17           HG1      THR  17  12.189  -1.696  -9.428
  120   1HG2  THR  17          2HG2      THR  17   8.814  -2.702 -10.886
  121   2HG2  THR  17          1HG2      THR  17  10.276  -3.474 -11.501
  122   3HG2  THR  17          3HG2      THR  17   9.311  -4.274 -10.260
  123    H    VAL  18           H        VAL  18   7.278  -1.128  -9.726
  124    HA   VAL  18           HA       VAL  18   5.605  -2.129  -7.703
  125    HB   VAL  18           HB       VAL  18   5.046  -2.287 -10.679
  126   1HG1  VAL  18          3HG1      VAL  18   3.240  -2.003  -8.257
  127   2HG1  VAL  18          2HG1      VAL  18   2.701  -1.989  -9.936
  128   3HG1  VAL  18          1HG1      VAL  18   3.413  -3.450  -9.252
  129   1HG2  VAL  18          2HG2      VAL  18   4.972   0.005  -8.714
  130   2HG2  VAL  18          1HG2      VAL  18   5.705  -0.041 -10.319
  131   3HG2  VAL  18          3HG2      VAL  18   3.949   0.001 -10.151
  132    H    ALA  19           H        ALA  19   4.339  -4.171  -7.681
  133    HA   ALA  19           HA       ALA  19   6.060  -6.453  -8.510
  134   1HB   ALA  19          3HB       ALA  19   4.747  -5.896  -6.121
  135   2HB   ALA  19          2HB       ALA  19   3.714  -7.101  -6.889
  136   3HB   ALA  19          1HB       ALA  19   5.414  -7.460  -6.590
  137    H    THR  20           H        THR  20   2.526  -6.243  -8.059
  138    HA   THR  20           HA       THR  20   2.026  -6.714 -10.903
  139    HB   THR  20           HB       THR  20   1.599  -8.907  -8.857
  140    HG1  THR  20           HG1      THR  20   3.266  -9.710  -9.813
  141   1HG2  THR  20          1HG2      THR  20   0.123  -8.239 -11.306
  142   2HG2  THR  20          3HG2      THR  20   0.749  -9.887 -11.288
  143   3HG2  THR  20          2HG2      THR  20  -0.313  -9.333  -9.993
  144    H    TRP  21           H        TRP  21  -0.026  -6.000 -11.408
  145    HA   TRP  21           HA       TRP  21  -1.663  -4.962  -9.194
  146   1HB   TRP  21          2HB       TRP  21  -1.476  -4.562 -12.143
  147   2HB   TRP  21          1HB       TRP  21  -3.037  -4.277 -11.382
  148    HD1  TRP  21           HD1      TRP  21   0.433  -2.853 -11.711
  149    HE1  TRP  21           HE1      TRP  21   0.556  -0.594 -10.463
  150    HE3  TRP  21           HE3      TRP  21  -4.047  -2.935  -9.253
  151    HZ2  TRP  21           HZ2      TRP  21  -1.005   0.953  -8.690
  152    HZ3  TRP  21           HZ3      TRP  21  -4.705  -1.045  -7.785
  153    HH2  TRP  21           HH2      TRP  21  -3.190   0.901  -7.499
  154    H    HIS  22           H        HIS  22  -2.336  -7.100  -8.405
  155    HA   HIS  22           HA       HIS  22  -3.554  -9.172  -9.798
  156   1HB   HIS  22          2HB       HIS  22  -5.017  -8.223  -7.361
  157   2HB   HIS  22          1HB       HIS  22  -4.531  -9.861  -7.811
  158    HD1  HIS  22           HD1      HIS  22  -3.147  -6.652  -6.398
  159    HD2  HIS  22           HD2      HIS  22  -1.969 -10.616  -6.903
  160    HE1  HIS  22           HE1      HIS  22  -0.938  -6.894  -5.216
  161    H    LYS  23           H        LYS  23  -5.610  -6.682  -8.260
  162    HA   LYS  23           HA       LYS  23  -7.545  -7.064 -10.489
  163   1HB   LYS  23          2HB       LYS  23  -7.741  -6.210  -7.641
  164   2HB   LYS  23          1HB       LYS  23  -8.881  -5.484  -8.772
  165   1HG   LYS  23          2HG       LYS  23  -9.458  -7.798  -9.571
  166   2HG   LYS  23          1HG       LYS  23  -8.451  -8.441  -8.274
  167   1HD   LYS  23          2HD       LYS  23 -10.891  -6.671  -7.942
  168   2HD   LYS  23          1HD       LYS  23 -10.779  -8.383  -7.536
  169   1HE   LYS  23          2HE       LYS  23  -9.117  -7.924  -5.824
  170   2HE   LYS  23          1HE       LYS  23  -9.049  -6.226  -6.295
  171   1HZ   LYS  23          3HZ       LYS  23 -11.529  -6.218  -5.794
  172   2HZ   LYS  23          2HZ       LYS  23 -11.257  -7.686  -4.982
  173   3HZ   LYS  23          1HZ       LYS  23 -10.470  -6.270  -4.470
  174    H    LYS  24           H        LYS  24  -8.874  -4.710 -10.573
  175    HA   LYS  24           HA       LYS  24  -6.771  -2.649 -11.101
  176   1HB   LYS  24          2HB       LYS  24  -8.683  -3.886 -12.946
  177   2HB   LYS  24          1HB       LYS  24  -8.778  -2.124 -12.940
  178   1HG   LYS  24          2HG       LYS  24  -6.078  -2.474 -12.945
  179   2HG   LYS  24          1HG       LYS  24  -6.589  -3.891 -13.862
  180   1HD   LYS  24          2HD       LYS  24  -8.170  -1.842 -14.886
  181   2HD   LYS  24          1HD       LYS  24  -6.598  -1.079 -14.647
  182   1HE   LYS  24          2HE       LYS  24  -5.961  -2.044 -16.586
  183   2HE   LYS  24          1HE       LYS  24  -5.982  -3.581 -15.721
  184   1HZ   LYS  24          2HZ       LYS  24  -8.330  -3.812 -16.299
  185   2HZ   LYS  24          1HZ       LYS  24  -8.264  -2.361 -17.181
  186   3HZ   LYS  24          3HZ       LYS  24  -7.355  -3.701 -17.686
  187    HA   PRO  25           HA       PRO  25  -9.408   0.175  -9.028
  188   1HB   PRO  25          2HB       PRO  25  -9.032   2.462 -10.509
  189   2HB   PRO  25          1HB       PRO  25  -7.817   1.802  -9.400
  190   1HG   PRO  25          2HG       PRO  25  -7.875   1.727 -12.384
  191   2HG   PRO  25          1HG       PRO  25  -6.484   1.695 -11.288
  192   1HD   PRO  25          2HD       PRO  25  -7.583  -0.544 -12.615
  193   2HD   PRO  25          1HD       PRO  25  -6.447  -0.599 -11.250
  194    H    GLY  26           H        GLY  26 -11.482   1.239  -9.152
  195   1HA   GLY  26          2HA       GLY  26 -13.476   1.980 -10.247
  196   2HA   GLY  26          1HA       GLY  26 -12.834   1.365 -11.775
  197    H    GLU  27           H        GLU  27 -12.427  -0.895  -9.300
  198    HA   GLU  27           HA       GLU  27 -14.871  -2.356 -10.215
  199   1HB   GLU  27          2HB       GLU  27 -12.267  -3.488  -9.145
  200   2HB   GLU  27          1HB       GLU  27 -13.644  -4.426  -9.725
  201   1HG   GLU  27          2HG       GLU  27 -12.302  -2.372 -11.482
  202   2HG   GLU  27          1HG       GLU  27 -11.695  -4.025 -11.379
  203    H    ALA  28           H        ALA  28 -15.157  -4.257  -8.333
  204    HA   ALA  28           HA       ALA  28 -15.970  -2.700  -5.980
  205   1HB   ALA  28          2HB       ALA  28 -17.035  -4.890  -7.240
  206   2HB   ALA  28          1HB       ALA  28 -16.216  -5.638  -5.870
  207   3HB   ALA  28          3HB       ALA  28 -17.438  -4.396  -5.596
  208    H    VAL  29           H        VAL  29 -14.876  -2.648  -4.059
  209    HA   VAL  29           HA       VAL  29 -12.597  -4.559  -3.730
  210    HB   VAL  29           HB       VAL  29 -12.687  -1.716  -2.688
  211   1HG1  VAL  29          3HG1      VAL  29 -11.191  -3.644  -1.707
  212   2HG1  VAL  29          2HG1      VAL  29 -10.236  -3.387  -3.167
  213   3HG1  VAL  29          1HG1      VAL  29 -10.475  -2.064  -2.025
  214   1HG2  VAL  29          1HG2      VAL  29 -12.702  -1.953  -5.239
  215   2HG2  VAL  29          3HG2      VAL  29 -11.353  -1.047  -4.554
  216   3HG2  VAL  29          2HG2      VAL  29 -11.120  -2.716  -5.076
  217    H    LYS  30           H        LYS  30 -12.467  -5.571  -1.738
  218    HA   LYS  30           HA       LYS  30 -14.519  -4.768   0.288
  219   1HB   LYS  30          2HB       LYS  30 -13.635  -7.451  -0.715
  220   2HB   LYS  30          1HB       LYS  30 -14.154  -7.305   0.964
  221   1HG   LYS  30          2HG       LYS  30 -16.325  -7.116   0.373
  222   2HG   LYS  30          1HG       LYS  30 -15.954  -5.909  -0.859
  223   1HD   LYS  30          2HD       LYS  30 -15.507  -7.552  -2.502
  224   2HD   LYS  30          1HD       LYS  30 -15.347  -8.831  -1.299
  225   1HE   LYS  30          2HE       LYS  30 -17.710  -8.790  -0.829
  226   2HE   LYS  30          1HE       LYS  30 -17.932  -7.338  -1.804
  227   1HZ   LYS  30          2HZ       LYS  30 -16.835  -8.907  -3.608
  228   2HZ   LYS  30          1HZ       LYS  30 -17.560 -10.105  -2.645
  229   3HZ   LYS  30          3HZ       LYS  30 -18.512  -8.881  -3.332
  230    H    ARG  31           H        ARG  31 -13.743  -4.325   2.312
  231    HA   ARG  31           HA       ARG  31 -11.116  -3.767   2.909
  232   1HB   ARG  31          2HB       ARG  31 -13.301  -3.543   4.358
  233   2HB   ARG  31          1HB       ARG  31 -12.777  -5.086   5.035
  234   1HG   ARG  31          2HG       ARG  31 -10.904  -2.725   4.827
  235   2HG   ARG  31          1HG       ARG  31 -11.951  -2.961   6.227
  236   1HD   ARG  31          2HD       ARG  31 -10.700  -5.460   5.656
  237   2HD   ARG  31          1HD       ARG  31  -9.444  -4.222   5.663
  238    HE   ARG  31           HE       ARG  31 -10.341  -3.577   7.955
  239   1HH1  ARG  31          2HH1      ARG  31 -12.736  -5.343   7.975
  240   2HH1  ARG  31          1HH1      ARG  31 -12.180  -6.719   8.868
  241   1HH2  ARG  31          1HH2      ARG  31  -8.823  -5.928   8.505
  242   2HH2  ARG  31          2HH2      ARG  31  -9.964  -7.050   9.168
  243    H    ASP  32           H        ASP  32  -9.315  -4.923   3.657
  244    HA   ASP  32           HA       ASP  32  -7.963  -6.797   4.088
  245   1HB   ASP  32          2HB       ASP  32 -10.118  -7.368   5.513
  246   2HB   ASP  32          1HB       ASP  32 -10.379  -8.569   4.246
  247    H    GLU  33           H        GLU  33  -8.380  -6.074   1.447
  248    HA   GLU  33           HA       GLU  33  -8.278  -8.735   0.121
  249   1HB   GLU  33          2HB       GLU  33 -10.564  -7.737  -0.202
  250   2HB   GLU  33          1HB       GLU  33  -9.799  -6.370  -1.013
  251   1HG   GLU  33          2HG       GLU  33  -9.926  -7.568  -2.920
  252   2HG   GLU  33          1HG       GLU  33  -8.676  -8.612  -2.244
  253    H    LEU  34           H        LEU  34  -6.198  -8.753  -0.605
  254    HA   LEU  34           HA       LEU  34  -4.441  -6.672  -1.002
  255   1HB   LEU  34          2HB       LEU  34  -3.849  -9.070  -1.263
  256   2HB   LEU  34          1HB       LEU  34  -4.685  -9.089  -2.816
  257    HG   LEU  34           HG       LEU  34  -3.164  -7.328  -3.653
  258   1HD1  LEU  34          1HD1      LEU  34  -1.940  -7.639  -0.898
  259   2HD1  LEU  34          3HD1      LEU  34  -1.116  -6.847  -2.242
  260   3HD1  LEU  34          2HD1      LEU  34  -2.619  -6.174  -1.608
  261   1HD2  LEU  34          2HD2      LEU  34  -1.855  -9.793  -2.466
  262   2HD2  LEU  34          1HD2      LEU  34  -2.517  -9.617  -4.091
  263   3HD2  LEU  34          3HD2      LEU  34  -1.062  -8.733  -3.630
  264    H    ILE  35           H        ILE  35  -3.706  -5.589  -3.031
  265    HA   ILE  35           HA       ILE  35  -5.717  -5.409  -5.188
  266    HB   ILE  35           HB       ILE  35  -4.925  -3.065  -3.437
  267   1HG1  ILE  35          2HG1      ILE  35  -6.834  -4.581  -2.733
  268   2HG1  ILE  35          1HG1      ILE  35  -7.290  -2.897  -2.992
  269   1HG2  ILE  35          2HG2      ILE  35  -5.797  -3.212  -6.254
  270   2HG2  ILE  35          1HG2      ILE  35  -6.736  -2.103  -5.255
  271   3HG2  ILE  35          3HG2      ILE  35  -4.990  -1.902  -5.392
  272   1HD1  ILE  35          1HD1      ILE  35  -7.443  -4.646  -5.380
  273   2HD1  ILE  35          3HD1      ILE  35  -8.617  -4.986  -4.109
  274   3HD1  ILE  35          2HD1      ILE  35  -8.546  -3.382  -4.837
  275    H    VAL  36           H        VAL  36  -2.617  -4.281  -3.858
  276    HA   VAL  36           HA       VAL  36  -1.419  -4.602  -6.537
  277    HB   VAL  36           HB       VAL  36  -2.229  -2.237  -6.447
  278   1HG1  VAL  36          2HG1      VAL  36  -2.016  -1.929  -4.006
  279   2HG1  VAL  36          1HG1      VAL  36  -0.262  -2.051  -4.144
  280   3HG1  VAL  36          3HG1      VAL  36  -1.111  -0.690  -4.879
  281   1HG2  VAL  36          1HG2      VAL  36   0.605  -3.072  -6.726
  282   2HG2  VAL  36          3HG2      VAL  36  -0.444  -2.249  -7.881
  283   3HG2  VAL  36          2HG2      VAL  36   0.332  -1.335  -6.587
  284    H    ASP  37           H        ASP  37   0.601  -5.459  -6.311
  285    HA   ASP  37           HA       ASP  37   1.743  -5.563  -3.569
  286   1HB   ASP  37          2HB       ASP  37   1.993  -7.231  -6.039
  287   2HB   ASP  37          1HB       ASP  37   3.367  -7.186  -4.933
  288    H    ILE  38           H        ILE  38   4.261  -5.483  -3.577
  289    HA   ILE  38           HA       ILE  38   5.262  -3.499  -5.561
  290    HB   ILE  38           HB       ILE  38   5.970  -3.168  -2.661
  291   1HG1  ILE  38          2HG1      ILE  38   3.464  -2.142  -4.032
  292   2HG1  ILE  38          1HG1      ILE  38   3.536  -3.210  -2.630
  293   1HG2  ILE  38          3HG2      ILE  38   6.501  -1.841  -5.129
  294   2HG2  ILE  38          2HG2      ILE  38   5.523  -0.755  -4.142
  295   3HG2  ILE  38          1HG2      ILE  38   7.047  -1.388  -3.516
  296   1HD1  ILE  38          3HD1      ILE  38   5.005  -1.208  -1.646
  297   2HD1  ILE  38          2HD1      ILE  38   4.059  -0.275  -2.805
  298   3HD1  ILE  38          1HD1      ILE  38   3.244  -1.195  -1.542
  299    H    GLU  39           H        GLU  39   7.695  -3.347  -5.458
  300    HA   GLU  39           HA       GLU  39   8.926  -5.834  -4.355
  301   1HB   GLU  39          2HB       GLU  39   9.551  -4.666  -7.082
  302   2HB   GLU  39          1HB       GLU  39  10.180  -6.167  -6.400
  303   1HG   GLU  39          2HG       GLU  39   7.832  -7.037  -6.288
  304   2HG   GLU  39          1HG       GLU  39   7.296  -5.580  -7.126
  305    H    THR  40           H        THR  40  10.996  -5.535  -3.514
  306    HA   THR  40           HA       THR  40  12.137  -2.779  -3.760
  307    HB   THR  40           HB       THR  40  12.871  -4.088  -1.280
  308    HG1  THR  40           HG1      THR  40  10.569  -3.664  -0.518
  309   1HG2  THR  40          1HG2      THR  40  11.382  -1.550  -1.995
  310   2HG2  THR  40          3HG2      THR  40  11.912  -1.957  -0.363
  311   3HG2  THR  40          2HG2      THR  40  13.103  -1.704  -1.639
  312    H    ASP  41           H        ASP  41  14.479  -3.360  -2.252
  313    HA   ASP  41           HA       ASP  41  16.295  -4.245  -4.118
  314   1HB   ASP  41          2HB       ASP  41  16.610  -3.418  -1.628
  315   2HB   ASP  41          1HB       ASP  41  16.700  -5.146  -1.287
  316    H    LYS  42           H        LYS  42  15.086  -6.401  -1.520
  317    HA   LYS  42           HA       LYS  42  14.935  -8.604  -3.498
  318   1HB   LYS  42          2HB       LYS  42  16.415  -8.966  -0.885
  319   2HB   LYS  42          1HB       LYS  42  16.340 -10.082  -2.249
  320   1HG   LYS  42          2HG       LYS  42  17.407  -8.135  -3.608
  321   2HG   LYS  42          1HG       LYS  42  17.841  -7.480  -2.028
  322   1HD   LYS  42          2HD       LYS  42  19.225  -9.302  -1.509
  323   2HD   LYS  42          1HD       LYS  42  18.451 -10.351  -2.698
  324   1HE   LYS  42          2HE       LYS  42  19.933  -9.732  -4.272
  325   2HE   LYS  42          1HE       LYS  42  19.539  -8.032  -4.021
  326   1HZ   LYS  42          1HZ       LYS  42  21.385  -9.580  -2.289
  327   2HZ   LYS  42          3HZ       LYS  42  21.893  -8.600  -3.578
  328   3HZ   LYS  42          2HZ       LYS  42  21.100  -7.905  -2.246
  329    H    VAL  43           H        VAL  43  13.124  -6.941  -1.673
  330    HA   VAL  43           HA       VAL  43  11.804  -9.280  -0.358
  331    HB   VAL  43           HB       VAL  43  11.490  -6.497   0.727
  332   1HG1  VAL  43          2HG1      VAL  43  11.061  -9.315   1.592
  333   2HG1  VAL  43          1HG1      VAL  43  11.566  -8.172   2.835
  334   3HG1  VAL  43          3HG1      VAL  43  10.090  -7.879   1.916
  335   1HG2  VAL  43          2HG2      VAL  43  13.800  -8.390   1.265
  336   2HG2  VAL  43          1HG2      VAL  43  13.905  -6.760   0.598
  337   3HG2  VAL  43          3HG2      VAL  43  13.406  -6.999   2.274
  338    H    VAL  44           H        VAL  44   9.601  -9.452  -0.738
  339    HA   VAL  44           HA       VAL  44   8.445  -7.414  -2.588
  340    HB   VAL  44           HB       VAL  44   8.560  -9.818  -3.344
  341   1HG1  VAL  44          1HG1      VAL  44   7.871 -10.469  -0.835
  342   2HG1  VAL  44          3HG1      VAL  44   6.259 -10.433  -1.548
  343   3HG1  VAL  44          2HG1      VAL  44   7.490 -11.512  -2.206
  344   1HG2  VAL  44          3HG2      VAL  44   6.240  -8.040  -3.283
  345   2HG2  VAL  44          2HG2      VAL  44   6.892  -8.980  -4.625
  346   3HG2  VAL  44          1HG2      VAL  44   5.777  -9.730  -3.483
  347    H    MET  45           H        MET  45   6.677  -6.243  -1.933
  348    HA   MET  45           HA       MET  45   5.519  -6.945   0.734
  349   1HB   MET  45          2HB       MET  45   5.962  -4.288  -0.637
  350   2HB   MET  45          1HB       MET  45   4.849  -4.460   0.721
  351   1HG   MET  45          2HG       MET  45   6.960  -5.717   1.787
  352   2HG   MET  45          1HG       MET  45   7.825  -4.661   0.671
  353   1HE   MET  45          2HE       MET  45   6.712  -2.271   0.246
  354   2HE   MET  45          1HE       MET  45   5.070  -2.428   0.866
  355   3HE   MET  45          3HE       MET  45   6.163  -1.211   1.542
  356    H    GLU  46           H        GLU  46   3.199  -5.665   0.804
  357    HA   GLU  46           HA       GLU  46   1.754  -6.136  -1.746
  358   1HB   GLU  46          2HB       GLU  46   1.001  -7.416   0.900
  359   2HB   GLU  46          1HB       GLU  46   0.014  -7.456  -0.562
  360   1HG   GLU  46          2HG       GLU  46   1.584  -8.789  -1.726
  361   2HG   GLU  46          1HG       GLU  46   2.868  -8.434  -0.571
  362    H    VAL  47           H        VAL  47  -0.461  -5.186  -1.663
  363    HA   VAL  47           HA       VAL  47  -0.796  -3.162   0.501
  364    HB   VAL  47           HB       VAL  47  -1.043  -2.612  -2.473
  365   1HG1  VAL  47          2HG1      VAL  47  -1.841  -1.138  -0.004
  366   2HG1  VAL  47          1HG1      VAL  47  -1.144  -0.194  -1.322
  367   3HG1  VAL  47          3HG1      VAL  47  -2.599  -1.154  -1.597
  368   1HG2  VAL  47          1HG2      VAL  47   1.215  -2.597  -0.762
  369   2HG2  VAL  47          3HG2      VAL  47   1.109  -1.946  -2.398
  370   3HG2  VAL  47          2HG2      VAL  47   0.771  -0.908  -1.012
  371    H    LEU  48           H        LEU  48  -2.687  -3.861   1.414
  372    HA   LEU  48           HA       LEU  48  -4.863  -4.789  -0.379
  373   1HB   LEU  48          2HB       LEU  48  -5.774  -5.235   2.151
  374   2HB   LEU  48          1HB       LEU  48  -4.880  -6.418   1.207
  375    HG   LEU  48           HG       LEU  48  -3.506  -4.408   2.996
  376   1HD1  LEU  48          2HD1      LEU  48  -4.951  -6.904   3.672
  377   2HD1  LEU  48          1HD1      LEU  48  -3.328  -6.764   4.348
  378   3HD1  LEU  48          3HD1      LEU  48  -4.538  -5.529   4.696
  379   1HD2  LEU  48          2HD2      LEU  48  -2.682  -6.458   1.140
  380   2HD2  LEU  48          1HD2      LEU  48  -1.677  -5.339   2.063
  381   3HD2  LEU  48          3HD2      LEU  48  -2.146  -6.888   2.765
  382    H    ALA  49           H        ALA  49  -6.954  -3.839  -0.209
  383    HA   ALA  49           HA       ALA  49  -7.002  -1.022   0.293
  384   1HB   ALA  49          1HB       ALA  49  -9.145  -3.099  -0.143
  385   2HB   ALA  49          3HB       ALA  49  -9.565  -1.425   0.223
  386   3HB   ALA  49          2HB       ALA  49  -8.632  -1.804  -1.225
  387    H    GLU  50           H        GLU  50  -7.914   0.146   2.043
  388    HA   GLU  50           HA       GLU  50  -7.925  -1.347   4.600
  389   1HB   GLU  50          2HB       GLU  50  -7.164   1.290   3.788
  390   2HB   GLU  50          1HB       GLU  50  -8.456   1.433   4.981
  391   1HG   GLU  50          2HG       GLU  50  -7.143  -0.278   6.374
  392   2HG   GLU  50          1HG       GLU  50  -5.797   0.030   5.276
  393    H    ALA  51           H        ALA  51 -10.165  -0.967   2.358
  394    HA   ALA  51           HA       ALA  51 -12.411  -1.546   3.868
  395   1HB   ALA  51          2HB       ALA  51 -11.611   1.210   4.245
  396   2HB   ALA  51          1HB       ALA  51 -13.208   1.133   3.501
  397   3HB   ALA  51          3HB       ALA  51 -12.910   0.316   5.035
  398    H    ASP  52           H        ASP  52 -14.414  -1.376   2.609
  399    HA   ASP  52           HA       ASP  52 -13.970  -1.639  -0.214
  400   1HB   ASP  52          2HB       ASP  52 -15.836  -2.824   0.414
  401   2HB   ASP  52          1HB       ASP  52 -16.342  -1.628   1.601
  402    H    GLY  53           H        GLY  53 -15.315  -0.278  -1.806
  403   1HA   GLY  53          2HA       GLY  53 -16.309   2.226  -1.617
  404   2HA   GLY  53          1HA       GLY  53 -14.592   2.551  -1.355
  405    H    VAL  54           H        VAL  54 -14.197   3.632  -3.305
  406    HA   VAL  54           HA       VAL  54 -14.267   1.894  -5.723
  407    HB   VAL  54           HB       VAL  54 -15.330   4.720  -5.494
  408   1HG1  VAL  54          1HG1      VAL  54 -14.051   3.337  -7.749
  409   2HG1  VAL  54          3HG1      VAL  54 -15.667   3.936  -8.121
  410   3HG1  VAL  54          2HG1      VAL  54 -14.424   5.048  -7.547
  411   1HG2  VAL  54          3HG2      VAL  54 -16.742   2.570  -5.070
  412   2HG2  VAL  54          2HG2      VAL  54 -17.388   3.791  -6.167
  413   3HG2  VAL  54          1HG2      VAL  54 -16.625   2.338  -6.814
  414    H    ILE  55           H        ILE  55 -12.268   1.853  -6.620
  415    HA   ILE  55           HA       ILE  55 -10.178   3.639  -5.672
  416    HB   ILE  55           HB       ILE  55 -10.044   1.775  -8.052
  417   1HG1  ILE  55          2HG1      ILE  55 -10.972   0.721  -5.905
  418   2HG1  ILE  55          1HG1      ILE  55  -9.521  -0.025  -6.570
  419   1HG2  ILE  55          3HG2      ILE  55  -8.054   3.063  -6.187
  420   2HG2  ILE  55          2HG2      ILE  55  -7.642   1.603  -7.087
  421   3HG2  ILE  55          1HG2      ILE  55  -8.079   3.078  -7.951
  422   1HD1  ILE  55          1HD1      ILE  55  -9.279   2.173  -4.532
  423   2HD1  ILE  55          3HD1      ILE  55  -9.606   0.520  -4.012
  424   3HD1  ILE  55          2HD1      ILE  55  -8.136   0.886  -4.915
  425    H    ALA  56           H        ALA  56  -8.745   4.752  -7.417
  426    HA   ALA  56           HA       ALA  56 -10.577   6.309  -9.179
  427   1HB   ALA  56          2HB       ALA  56  -7.850   6.900  -8.011
  428   2HB   ALA  56          1HB       ALA  56  -8.571   7.893  -9.279
  429   3HB   ALA  56          3HB       ALA  56  -9.366   7.751  -7.711
  430    H    GLU  57           H        GLU  57  -7.165   5.204  -9.304
  431    HA   GLU  57           HA       GLU  57  -7.380   3.636 -11.631
  432   1HB   GLU  57          2HB       GLU  57  -6.380   5.353 -13.281
  433   2HB   GLU  57          1HB       GLU  57  -8.105   5.480 -12.933
  434   1HG   GLU  57          2HG       GLU  57  -7.445   7.132 -11.081
  435   2HG   GLU  57          1HG       GLU  57  -5.855   7.176 -11.843
  436    H    ILE  58           H        ILE  58  -5.219   3.163 -12.577
  437    HA   ILE  58           HA       ILE  58  -3.122   3.500 -10.522
  438    HB   ILE  58           HB       ILE  58  -2.887   1.966 -13.116
  439   1HG1  ILE  58          2HG1      ILE  58  -3.477   0.185 -11.012
  440   2HG1  ILE  58          1HG1      ILE  58  -4.670   1.482 -10.882
  441   1HG2  ILE  58          1HG2      ILE  58  -1.524   1.912 -10.419
  442   2HG2  ILE  58          3HG2      ILE  58  -1.405   0.565 -11.551
  443   3HG2  ILE  58          2HG2      ILE  58  -0.793   2.155 -12.005
  444   1HD1  ILE  58          3HD1      ILE  58  -4.112   0.462 -13.620
  445   2HD1  ILE  58          2HD1      ILE  58  -4.995  -0.619 -12.541
  446   3HD1  ILE  58          1HD1      ILE  58  -5.636   0.984 -12.902
  447    H    VAL  59           H        VAL  59  -1.165   4.581 -10.907
  448    HA   VAL  59           HA       VAL  59  -1.194   6.397 -13.264
  449    HB   VAL  59           HB       VAL  59   0.352   6.448 -10.659
  450   1HG1  VAL  59          3HG1      VAL  59   0.915   7.694 -13.246
  451   2HG1  VAL  59          2HG1      VAL  59   0.736   8.878 -11.950
  452   3HG1  VAL  59          1HG1      VAL  59   1.931   7.589 -11.809
  453   1HG2  VAL  59          2HG2      VAL  59  -1.980   7.924 -11.834
  454   2HG2  VAL  59          1HG2      VAL  59  -1.751   7.326 -10.190
  455   3HG2  VAL  59          3HG2      VAL  59  -0.908   8.780 -10.728
  456    H    LYS  60           H        LYS  60   0.452   3.650 -11.951
  457    HA   LYS  60           HA       LYS  60   2.514   3.907 -14.106
  458   1HB   LYS  60          2HB       LYS  60   2.849   3.544 -11.294
  459   2HB   LYS  60          1HB       LYS  60   3.341   2.049 -12.090
  460   1HG   LYS  60          2HG       LYS  60   5.232   3.636 -11.907
  461   2HG   LYS  60          1HG       LYS  60   4.819   3.318 -13.592
  462   1HD   LYS  60          2HD       LYS  60   3.723   5.408 -13.835
  463   2HD   LYS  60          1HD       LYS  60   3.645   5.660 -12.091
  464   1HE   LYS  60          2HE       LYS  60   6.021   6.009 -11.953
  465   2HE   LYS  60          1HE       LYS  60   6.252   5.484 -13.621
  466   1HZ   LYS  60          3HZ       LYS  60   4.428   7.482 -13.828
  467   2HZ   LYS  60          2HZ       LYS  60   5.463   8.046 -12.605
  468   3HZ   LYS  60          1HZ       LYS  60   6.090   7.631 -14.128
  469    H    ASN  61           H        ASN  61   3.495   1.387 -14.202
  470    HA   ASN  61           HA       ASN  61   1.085  -0.321 -14.689
  471   1HB   ASN  61          2HB       ASN  61   3.642  -0.277 -16.320
  472   2HB   ASN  61          1HB       ASN  61   2.196  -1.232 -16.657
  473   1HD2  ASN  61          2HD2      ASN  61   0.337   1.973 -17.302
  474   2HD2  ASN  61          1HD2      ASN  61   0.190   0.730 -16.143
  475    H    GLU  62           H        GLU  62   1.710  -2.714 -14.762
  476    HA   GLU  62           HA       GLU  62   3.152  -3.375 -12.342
  477   1HB   GLU  62          2HB       GLU  62   2.593  -5.466 -14.403
  478   2HB   GLU  62          1HB       GLU  62   2.365  -5.526 -12.656
  479   1HG   GLU  62          2HG       GLU  62   0.171  -5.183 -13.082
  480   2HG   GLU  62          1HG       GLU  62   0.622  -3.516 -13.448
  481    H    GLY  63           H        GLY  63   5.215  -4.278 -12.131
  482   1HA   GLY  63          2HA       GLY  63   7.387  -4.927 -12.768
  483   2HA   GLY  63          1HA       GLY  63   6.787  -5.118 -14.419
  484    H    ASP  64           H        ASP  64   6.127  -2.074 -12.968
  485    HA   ASP  64           HA       ASP  64   8.183  -0.849 -14.736
  486   1HB   ASP  64          2HB       ASP  64   6.222   0.210 -15.301
  487   2HB   ASP  64          1HB       ASP  64   5.514   0.006 -13.700
  488    H    THR  65           H        THR  65   9.105   1.265 -13.796
  489    HA   THR  65           HA       THR  65  10.209   0.618 -11.127
  490    HB   THR  65           HB       THR  65  11.645   1.361 -13.100
  491    HG1  THR  65           HG1      THR  65  12.995   2.128 -11.670
  492   1HG2  THR  65          3HG2      THR  65   9.915   3.198 -13.676
  493   2HG2  THR  65          2HG2      THR  65  10.683   4.128 -12.389
  494   3HG2  THR  65          1HG2      THR  65  11.624   3.617 -13.790
  495    H    VAL  66           H        VAL  66  10.168   2.184  -9.388
  496    HA   VAL  66           HA       VAL  66   8.111   4.326  -9.690
  497    HB   VAL  66           HB       VAL  66   7.162   3.755  -7.521
  498   1HG1  VAL  66          1HG1      VAL  66   7.377   1.675  -9.651
  499   2HG1  VAL  66          3HG1      VAL  66   6.639   1.196  -8.123
  500   3HG1  VAL  66          2HG1      VAL  66   5.953   2.527  -9.053
  501   1HG2  VAL  66          2HG2      VAL  66   9.650   2.283  -7.288
  502   2HG2  VAL  66          1HG2      VAL  66   8.501   2.726  -6.025
  503   3HG2  VAL  66          3HG2      VAL  66   8.276   1.235  -6.938
  504    H    LEU  67           H        LEU  67   8.557   6.210  -8.502
  505    HA   LEU  67           HA       LEU  67  11.328   6.396  -7.473
  506   1HB   LEU  67          2HB       LEU  67   9.331   8.268  -8.575
  507   2HB   LEU  67          1HB       LEU  67  10.260   8.910  -7.220
  508    HG   LEU  67           HG       LEU  67  11.355   9.349  -9.417
  509   1HD1  LEU  67          2HD1      LEU  67  12.529   8.690  -7.101
  510   2HD1  LEU  67          1HD1      LEU  67  13.116   7.343  -8.078
  511   3HD1  LEU  67          3HD1      LEU  67  13.468   9.003  -8.560
  512   1HD2  LEU  67          1HD2      LEU  67  10.500   7.157 -10.414
  513   2HD2  LEU  67          3HD2      LEU  67  12.185   7.546 -10.761
  514   3HD2  LEU  67          2HD2      LEU  67  11.793   6.354  -9.521
  515    H    SER  68           H        SER  68  11.694   7.520  -5.380
  516    HA   SER  68           HA       SER  68  10.318   6.350  -3.225
  517   1HB   SER  68          2HB       SER  68  12.393   7.315  -2.679
  518   2HB   SER  68          1HB       SER  68  12.000   8.838  -3.470
  519    HG   SER  68           HG       SER  68  10.826   9.432  -1.773
  520    H    GLY  69           H        GLY  69   8.236   6.627  -2.602
  521   1HA   GLY  69          2HA       GLY  69   6.255   7.752  -1.999
  522   2HA   GLY  69          1HA       GLY  69   7.093   9.279  -2.279
  523    H    GLU  70           H        GLU  70   6.840   6.704  -4.675
  524    HA   GLU  70           HA       GLU  70   5.738   8.578  -6.616
  525   1HB   GLU  70          2HB       GLU  70   7.322   6.685  -7.175
  526   2HB   GLU  70          1HB       GLU  70   5.989   5.569  -6.873
  527   1HG   GLU  70          2HG       GLU  70   5.682   5.881  -9.136
  528   2HG   GLU  70          1HG       GLU  70   4.726   7.239  -8.542
  529    H    LEU  71           H        LEU  71   3.609   8.748  -7.273
  530    HA   LEU  71           HA       LEU  71   1.575   7.550  -5.555
  531   1HB   LEU  71          2HB       LEU  71   1.346   9.854  -6.449
  532   2HB   LEU  71          1HB       LEU  71   1.265   9.197  -8.084
  533    HG   LEU  71           HG       LEU  71  -0.621   7.733  -6.592
  534   1HD1  LEU  71          2HD1      LEU  71  -0.179  10.166  -5.277
  535   2HD1  LEU  71          1HD1      LEU  71  -1.632  10.439  -6.240
  536   3HD1  LEU  71          3HD1      LEU  71  -1.578   9.109  -5.082
  537   1HD2  LEU  71          3HD2      LEU  71  -0.436   9.299  -8.956
  538   2HD2  LEU  71          2HD2      LEU  71  -1.723   8.181  -8.507
  539   3HD2  LEU  71          1HD2      LEU  71  -1.842   9.885  -8.068
  540    H    LEU  72           H        LEU  72   0.509   5.667  -5.953
  541    HA   LEU  72           HA       LEU  72   0.908   4.401  -8.627
  542   1HB   LEU  72          2HB       LEU  72  -0.163   2.959  -6.213
  543   2HB   LEU  72          1HB       LEU  72   0.735   2.308  -7.585
  544    HG   LEU  72           HG       LEU  72   1.931   4.248  -5.591
  545   1HD1  LEU  72          1HD1      LEU  72   1.151   1.861  -4.772
  546   2HD1  LEU  72          3HD1      LEU  72   2.580   1.317  -5.653
  547   3HD1  LEU  72          2HD1      LEU  72   2.745   2.468  -4.327
  548   1HD2  LEU  72          2HD2      LEU  72   2.753   3.213  -8.124
  549   2HD2  LEU  72          1HD2      LEU  72   3.665   4.250  -7.028
  550   3HD2  LEU  72          3HD2      LEU  72   3.789   2.496  -6.890
  551    H    GLY  73           H        GLY  73  -1.481   5.683  -6.453
  552   1HA   GLY  73          2HA       GLY  73  -3.522   5.888  -8.371
  553   2HA   GLY  73          1HA       GLY  73  -3.780   4.341  -7.555
  554    H    LYS  74           H        LYS  74  -5.748   6.186  -7.245
  555    HA   LYS  74           HA       LYS  74  -5.329   7.124  -4.436
  556   1HB   LYS  74          2HB       LYS  74  -6.796   8.517  -6.694
  557   2HB   LYS  74          1HB       LYS  74  -6.927   8.997  -5.002
  558   1HG   LYS  74          2HG       LYS  74  -4.258   8.940  -5.177
  559   2HG   LYS  74          1HG       LYS  74  -4.618   9.261  -6.874
  560   1HD   LYS  74          2HD       LYS  74  -6.247  10.896  -5.091
  561   2HD   LYS  74          1HD       LYS  74  -4.522  11.158  -4.832
  562   1HE   LYS  74          2HE       LYS  74  -4.853  11.020  -7.626
  563   2HE   LYS  74          1HE       LYS  74  -6.179  12.024  -7.042
  564   1HZ   LYS  74          3HZ       LYS  74  -3.504  12.492  -5.948
  565   2HZ   LYS  74          2HZ       LYS  74  -3.825  13.031  -7.528
  566   3HZ   LYS  74          1HZ       LYS  74  -4.765  13.590  -6.228
  567    H    LEU  75           H        LEU  75  -6.951   6.541  -3.020
  568    HA   LEU  75           HA       LEU  75  -9.133   4.863  -4.139
  569   1HB   LEU  75          2HB       LEU  75  -7.627   4.063  -2.235
  570   2HB   LEU  75          1HB       LEU  75  -8.441   5.256  -1.221
  571    HG   LEU  75           HG       LEU  75 -10.320   3.637  -2.774
  572   1HD1  LEU  75          1HD1      LEU  75  -8.098   2.239  -1.780
  573   2HD1  LEU  75          3HD1      LEU  75  -9.367   1.984  -0.581
  574   3HD1  LEU  75          2HD1      LEU  75  -9.645   1.545  -2.267
  575   1HD2  LEU  75          3HD2      LEU  75 -10.593   5.200  -0.682
  576   2HD2  LEU  75          2HD2      LEU  75 -11.546   3.718  -0.778
  577   3HD2  LEU  75          1HD2      LEU  75 -10.096   3.771   0.225
  578    H    THR  76           H        THR  76 -11.340   5.267  -3.544
  579    HA   THR  76           HA       THR  76 -11.825   8.084  -2.665
  580    HB   THR  76           HB       THR  76 -13.725   6.331  -4.241
  581    HG1  THR  76           HG1      THR  76 -11.627   8.022  -5.048
  582   1HG2  THR  76          2HG2      THR  76 -13.614   9.189  -3.364
  583   2HG2  THR  76          1HG2      THR  76 -14.379   8.814  -4.909
  584   3HG2  THR  76          3HG2      THR  76 -14.990   8.088  -3.423
  585    H    GLU  77           H        GLU  77 -14.101   8.283  -1.604
  586    HA   GLU  77           HA       GLU  77 -14.138   6.563   0.718
  587   1HB   GLU  77          2HB       GLU  77 -16.295   8.463  -0.254
  588   2HB   GLU  77          1HB       GLU  77 -16.104   7.839   1.385
  589   1HG   GLU  77          2HG       GLU  77 -13.730   8.888   1.275
  590   2HG   GLU  77          1HG       GLU  77 -14.365   9.809  -0.089
  591    H    GLY  78           H        GLY  78 -16.808   7.127  -1.603
  592   1HA   GLY  78          2HA       GLY  78 -17.476   4.921  -2.816
  593   2HA   GLY  78          1HA       GLY  78 -17.612   4.286  -1.175
  594    H    GLY  79           HN       GLY  79 -19.918   3.960  -2.092
  595   1HA   GLY  79          2HA       GLY  79 -21.582   6.359  -2.256
  596   2HA   GLY  79          1HA       GLY  79 -22.159   4.692  -2.313
   
  No H/Q in entry =         596
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1  -9.498   9.527  -0.663
    2   2H    ALA   1          3H        ALA   1 -11.148   9.140  -0.580
    3   3H    ALA   1          2H        ALA   1 -10.543  10.466   0.293
    4    HA   ALA   1           HA       ALA   1 -10.659   8.939   1.964
    5   1HB   ALA   1          3HB       ALA   1 -10.145   6.973  -0.261
    6   2HB   ALA   1          2HB       ALA   1  -9.927   6.494   1.423
    7   3HB   ALA   1          1HB       ALA   1 -11.505   7.043   0.859
    8    H    ILE   2           H        ILE   2  -8.093   7.409   0.042
    9    HA   ILE   2           HA       ILE   2  -6.051   8.910   1.587
   10    HB   ILE   2           HB       ILE   2  -4.871   6.740   2.089
   11   1HG1  ILE   2          2HG1      ILE   2  -7.151   5.027   2.040
   12   2HG1  ILE   2          1HG1      ILE   2  -6.997   5.746   0.436
   13   1HG2  ILE   2          1HG2      ILE   2  -7.588   7.379   3.236
   14   2HG2  ILE   2          3HG2      ILE   2  -6.620   6.050   3.874
   15   3HG2  ILE   2          2HG2      ILE   2  -5.999   7.700   3.930
   16   1HD1  ILE   2          1HD1      ILE   2  -4.474   5.153   0.657
   17   2HD1  ILE   2          3HD1      ILE   2  -5.000   4.068   1.945
   18   3HD1  ILE   2          2HD1      ILE   2  -5.608   3.850   0.303
   19    H    ASP   3           H        ASP   3  -4.285   9.366   0.324
   20    HA   ASP   3           HA       ASP   3  -4.338   8.511  -2.474
   21   1HB   ASP   3          2HB       ASP   3  -3.627  10.821  -1.598
   22   2HB   ASP   3          1HB       ASP   3  -2.115  10.044  -1.114
   23    H    ILE   4           H        ILE   4  -3.112   6.894  -3.362
   24    HA   ILE   4           HA       ILE   4  -1.383   5.343  -1.513
   25    HB   ILE   4           HB       ILE   4  -2.165   4.604  -4.341
   26   1HG1  ILE   4          2HG1      ILE   4  -3.640   4.086  -1.738
   27   2HG1  ILE   4          1HG1      ILE   4  -4.226   5.034  -3.104
   28   1HG2  ILE   4          1HG2      ILE   4  -0.305   3.439  -2.891
   29   2HG2  ILE   4          3HG2      ILE   4  -1.679   2.730  -2.042
   30   3HG2  ILE   4          2HG2      ILE   4  -1.470   2.449  -3.771
   31   1HD1  ILE   4          1HD1      ILE   4  -3.473   2.557  -4.199
   32   2HD1  ILE   4          3HD1      ILE   4  -4.321   2.165  -2.703
   33   3HD1  ILE   4          2HD1      ILE   4  -5.117   3.141  -3.937
   34    H    LYS   5           H        LYS   5   0.681   6.137  -1.488
   35    HA   LYS   5           HA       LYS   5   1.942   6.729  -4.137
   36   1HB   LYS   5          2HB       LYS   5   2.696   7.959  -1.470
   37   2HB   LYS   5          1HB       LYS   5   3.300   8.417  -3.063
   38   1HG   LYS   5          2HG       LYS   5   0.925   8.990  -3.705
   39   2HG   LYS   5          1HG       LYS   5   0.476   8.739  -2.018
   40   1HD   LYS   5          2HD       LYS   5   2.717  10.397  -1.882
   41   2HD   LYS   5          1HD       LYS   5   1.800  11.025  -3.251
   42   1HE   LYS   5          2HE       LYS   5  -0.186  10.540  -1.407
   43   2HE   LYS   5          1HE       LYS   5   1.149  11.072  -0.383
   44   1HZ   LYS   5          2HZ       LYS   5   1.189  12.768  -2.533
   45   2HZ   LYS   5          1HZ       LYS   5  -0.462  12.588  -2.177
   46   3HZ   LYS   5          3HZ       LYS   5   0.608  13.125  -0.977
   47    H    ALA   6           H        ALA   6   4.457   6.535  -3.894
   48    HA   ALA   6           HA       ALA   6   5.004   3.824  -2.984
   49   1HB   ALA   6          1HB       ALA   6   6.094   4.754  -4.996
   50   2HB   ALA   6          3HB       ALA   6   6.892   5.972  -4.000
   51   3HB   ALA   6          2HB       ALA   6   7.292   4.267  -3.798
   52    HA   PRO   7           HA       PRO   7   6.413   4.837   1.055
   53   1HB   PRO   7          2HB       PRO   7   7.916   2.581   1.507
   54   2HB   PRO   7          1HB       PRO   7   6.145   2.600   1.549
   55   1HG   PRO   7          2HG       PRO   7   7.959   1.505  -0.549
   56   2HG   PRO   7          1HG       PRO   7   6.304   1.029  -0.136
   57   1HD   PRO   7          2HD       PRO   7   7.065   2.649  -2.331
   58   2HD   PRO   7          1HD       PRO   7   5.411   2.433  -1.712
   59    H    THR   8           H        THR   8   8.150   6.005   1.853
   60    HA   THR   8           HA       THR   8  10.332   6.757   0.216
   61    HB   THR   8           HB       THR   8   9.715   8.110   2.131
   62    HG1  THR   8           HG1      THR   8  11.885   8.216   1.623
   63   1HG2  THR   8          1HG2      THR   8   9.146   5.871   3.436
   64   2HG2  THR   8          3HG2      THR   8  10.783   6.085   4.053
   65   3HG2  THR   8          2HG2      THR   8   9.574   7.342   4.309
   66    H    PHE   9           H        PHE   9  11.849   5.363  -0.551
   67    HA   PHE   9           HA       PHE   9  12.487   2.854   0.706
   68   1HB   PHE   9          2HB       PHE   9  14.376   4.241  -1.180
   69   2HB   PHE   9          1HB       PHE   9  13.975   2.525  -1.068
   70    HD1  PHE   9           HD2      PHE   9  11.620   1.780  -1.728
   71    HD2  PHE   9           HD1      PHE   9  13.193   5.671  -2.650
   72    HE1  PHE   9           HE2      PHE   9   9.877   2.071  -3.470
   73    HE2  PHE   9           HE1      PHE   9  11.451   5.963  -4.392
   74    HZ   PHE   9           HZ       PHE   9   9.793   4.163  -4.802
   75    HA   PRO  10           HA       PRO  10  15.547   4.102   3.593
   76   1HB   PRO  10          2HB       PRO  10  17.075   1.817   3.645
   77   2HB   PRO  10          1HB       PRO  10  15.478   1.945   4.404
   78   1HG   PRO  10          2HG       PRO  10  16.253   0.546   1.887
   79   2HG   PRO  10          1HG       PRO  10  14.908   0.208   2.990
   80   1HD   PRO  10          2HD       PRO  10  14.718   1.559   0.508
   81   2HD   PRO  10          1HD       PRO  10  13.463   1.503   1.768
   82    H    GLU  11           H        GLU  11  18.257   3.275   3.640
   83    HA   GLU  11           HA       GLU  11  19.367   5.023   1.572
   84   1HB   GLU  11          2HB       GLU  11  20.193   4.825   3.995
   85   2HB   GLU  11          1HB       GLU  11  20.936   3.303   3.502
   86   1HG   GLU  11          2HG       GLU  11  21.677   5.082   1.491
   87   2HG   GLU  11          1HG       GLU  11  21.801   6.039   2.968
   88    H    SER  12           H        SER  12  20.136   1.653   2.533
   89    HA   SER  12           HA       SER  12  21.697   0.880   0.403
   90   1HB   SER  12          2HB       SER  12  20.695  -0.503   2.414
   91   2HB   SER  12          1HB       SER  12  19.474  -0.963   1.226
   92    HG   SER  12           HG       SER  12  21.082  -2.431   0.997
   93    H    ILE  13           H        ILE  13  18.123   0.901   0.427
   94    HA   ILE  13           HA       ILE  13  18.164   0.465  -2.516
   95    HB   ILE  13           HB       ILE  13  15.793   0.518  -0.626
   96   1HG1  ILE  13          2HG1      ILE  13  17.492  -1.771  -1.659
   97   2HG1  ILE  13          1HG1      ILE  13  17.240  -1.308   0.024
   98   1HG2  ILE  13          1HG2      ILE  13  15.913   0.661  -3.405
   99   2HG2  ILE  13          3HG2      ILE  13  15.620  -1.048  -3.085
  100   3HG2  ILE  13          2HG2      ILE  13  14.511   0.170  -2.454
  101   1HD1  ILE  13          1HD1      ILE  13  14.704  -1.680  -0.534
  102   2HD1  ILE  13          3HD1      ILE  13  15.328  -2.639  -1.875
  103   3HD1  ILE  13          2HD1      ILE  13  15.731  -3.078  -0.215
  104    H    ALA  14           H        ALA  14  17.747   2.141  -3.886
  105    HA   ALA  14           HA       ALA  14  16.656   4.656  -2.682
  106   1HB   ALA  14          3HB       ALA  14  19.006   4.149  -4.358
  107   2HB   ALA  14          2HB       ALA  14  17.961   5.409  -5.011
  108   3HB   ALA  14          1HB       ALA  14  18.611   5.561  -3.379
  109    H    ASP  15           H        ASP  15  15.224   2.368  -3.976
  110    HA   ASP  15           HA       ASP  15  13.315   3.817  -5.479
  111   1HB   ASP  15          2HB       ASP  15  13.949   2.620  -7.749
  112   2HB   ASP  15          1HB       ASP  15  14.706   4.152  -7.316
  113    H    GLY  16           H        GLY  16  12.257   1.957  -7.169
  114   1HA   GLY  16          2HA       GLY  16  12.361  -0.731  -6.062
  115   2HA   GLY  16          1HA       GLY  16  10.905   0.138  -5.575
  116    H    THR  17           H        THR  17  10.067  -1.824  -6.939
  117    HA   THR  17           HA       THR  17   9.419  -0.747  -9.614
  118    HB   THR  17           HB       THR  17  10.791  -3.406  -9.153
  119    HG1  THR  17           HG1      THR  17  12.175  -1.712  -9.558
  120   1HG2  THR  17          3HG2      THR  17   9.039  -2.450 -11.400
  121   2HG2  THR  17          2HG2      THR  17  10.370  -3.559 -11.729
  122   3HG2  THR  17          1HG2      THR  17   9.082  -4.033 -10.622
  123    H    VAL  18           H        VAL  18   7.245  -0.952  -9.816
  124    HA   VAL  18           HA       VAL  18   5.495  -2.124  -8.023
  125    HB   VAL  18           HB       VAL  18   5.114  -2.081 -11.033
  126   1HG1  VAL  18          2HG1      VAL  18   3.369  -2.645  -8.699
  127   2HG1  VAL  18          1HG1      VAL  18   2.685  -1.589  -9.935
  128   3HG1  VAL  18          3HG1      VAL  18   3.238  -3.207 -10.364
  129   1HG2  VAL  18          2HG2      VAL  18   4.934   0.021  -8.892
  130   2HG2  VAL  18          1HG2      VAL  18   5.586   0.149 -10.526
  131   3HG2  VAL  18          3HG2      VAL  18   3.841   0.101 -10.274
  132    H    ALA  19           H        ALA  19   4.299  -4.168  -8.058
  133    HA   ALA  19           HA       ALA  19   5.985  -6.395  -9.111
  134   1HB   ALA  19          1HB       ALA  19   5.592  -6.350  -6.654
  135   2HB   ALA  19          3HB       ALA  19   3.855  -6.450  -6.950
  136   3HB   ALA  19          2HB       ALA  19   4.905  -7.790  -7.408
  137    H    THR  20           H        THR  20   2.521  -6.225  -8.264
  138    HA   THR  20           HA       THR  20   1.722  -6.616 -11.055
  139    HB   THR  20           HB       THR  20   1.513  -8.850  -9.022
  140    HG1  THR  20           HG1      THR  20   2.280  -9.115 -11.694
  141   1HG2  THR  20          3HG2      THR  20  -0.674  -8.477 -10.142
  142   2HG2  THR  20          2HG2      THR  20   0.127  -8.619 -11.707
  143   3HG2  THR  20          1HG2      THR  20   0.065 -10.006 -10.619
  144    H    TRP  21           H        TRP  21  -0.343  -5.828 -11.325
  145    HA   TRP  21           HA       TRP  21  -1.739  -4.856  -8.925
  146   1HB   TRP  21          2HB       TRP  21  -1.827  -4.338 -11.861
  147   2HB   TRP  21          1HB       TRP  21  -3.301  -4.058 -10.940
  148    HD1  TRP  21           HD1      TRP  21   0.155  -2.690 -11.542
  149    HE1  TRP  21           HE1      TRP  21   0.445  -0.482 -10.231
  150    HE3  TRP  21           HE3      TRP  21  -4.079  -2.778  -8.680
  151    HZ2  TRP  21           HZ2      TRP  21  -0.910   1.026  -8.264
  152    HZ3  TRP  21           HZ3      TRP  21  -4.554  -0.933  -7.089
  153    HH2  TRP  21           HH2      TRP  21  -2.974   0.971  -6.877
  154    H    HIS  22           H        HIS  22  -2.419  -6.971  -8.131
  155    HA   HIS  22           HA       HIS  22  -3.773  -8.999  -9.455
  156   1HB   HIS  22          2HB       HIS  22  -5.040  -8.034  -6.914
  157   2HB   HIS  22          1HB       HIS  22  -4.642  -9.683  -7.413
  158    HD1  HIS  22           HD1      HIS  22  -3.056  -6.538  -6.069
  159    HD2  HIS  22           HD2      HIS  22  -2.045 -10.530  -6.706
  160    HE1  HIS  22           HE1      HIS  22  -0.775  -6.865  -5.055
  161    H    LYS  23           H        LYS  23  -5.530  -6.283  -7.906
  162    HA   LYS  23           HA       LYS  23  -7.802  -6.794  -9.735
  163   1HB   LYS  23          2HB       LYS  23  -7.416  -5.466  -7.128
  164   2HB   LYS  23          1HB       LYS  23  -8.532  -4.632  -8.212
  165   1HG   LYS  23          2HG       LYS  23 -10.012  -6.116  -7.253
  166   2HG   LYS  23          1HG       LYS  23  -9.432  -7.126  -8.578
  167   1HD   LYS  23          2HD       LYS  23  -7.634  -7.973  -6.986
  168   2HD   LYS  23          1HD       LYS  23  -8.522  -7.166  -5.693
  169   1HE   LYS  23          2HE       LYS  23  -9.856  -9.123  -7.568
  170   2HE   LYS  23          1HE       LYS  23  -9.071  -9.643  -6.078
  171   1HZ   LYS  23          1HZ       LYS  23 -11.091  -7.484  -6.103
  172   2HZ   LYS  23          3HZ       LYS  23 -11.535  -9.116  -5.968
  173   3HZ   LYS  23          2HZ       LYS  23 -10.544  -8.405  -4.784
  174    H    LYS  24           H        LYS  24  -8.876  -4.352 -10.177
  175    HA   LYS  24           HA       LYS  24  -6.709  -2.684 -11.366
  176   1HB   LYS  24          2HB       LYS  24  -8.485  -2.409 -13.316
  177   2HB   LYS  24          1HB       LYS  24  -7.357  -3.764 -13.319
  178   1HG   LYS  24          2HG       LYS  24  -9.849  -4.215 -11.791
  179   2HG   LYS  24          1HG       LYS  24 -10.059  -4.046 -13.535
  180   1HD   LYS  24          2HD       LYS  24  -7.806  -5.767 -12.645
  181   2HD   LYS  24          1HD       LYS  24  -9.430  -6.397 -12.363
  182   1HE   LYS  24          2HE       LYS  24  -9.086  -5.199 -15.023
  183   2HE   LYS  24          1HE       LYS  24  -8.053  -6.599 -14.743
  184   1HZ   LYS  24          1HZ       LYS  24 -10.704  -6.999 -13.762
  185   2HZ   LYS  24          3HZ       LYS  24 -10.696  -6.655 -15.423
  186   3HZ   LYS  24          2HZ       LYS  24  -9.788  -7.960 -14.823
  187    HA   PRO  25           HA       PRO  25  -9.099   0.691  -9.906
  188   1HB   PRO  25          2HB       PRO  25  -8.557   2.580 -11.830
  189   2HB   PRO  25          1HB       PRO  25  -7.388   2.073 -10.599
  190   1HG   PRO  25          2HG       PRO  25  -7.475   1.386 -13.501
  191   2HG   PRO  25          1HG       PRO  25  -6.084   1.465 -12.409
  192   1HD   PRO  25          2HD       PRO  25  -7.384  -0.897 -13.257
  193   2HD   PRO  25          1HD       PRO  25  -6.232  -0.769 -11.911
  194    H    GLY  26           H        GLY  26 -11.256  -0.193 -10.245
  195   1HA   GLY  26          2HA       GLY  26 -13.100   1.290 -11.643
  196   2HA   GLY  26          1HA       GLY  26 -12.565   0.106 -12.842
  197    H    GLU  27           H        GLU  27 -12.076  -1.849 -10.554
  198    HA   GLU  27           HA       GLU  27 -14.867  -2.843 -10.455
  199   1HB   GLU  27          2HB       GLU  27 -12.361  -4.240  -9.487
  200   2HB   GLU  27          1HB       GLU  27 -13.921  -4.971  -9.867
  201   1HG   GLU  27          2HG       GLU  27 -12.257  -3.489 -11.915
  202   2HG   GLU  27          1HG       GLU  27 -12.144  -5.231 -11.665
  203    H    ALA  28           H        ALA  28 -14.991  -4.264  -8.161
  204    HA   ALA  28           HA       ALA  28 -14.738  -2.146  -6.074
  205   1HB   ALA  28          2HB       ALA  28 -16.534  -4.575  -6.299
  206   2HB   ALA  28          1HB       ALA  28 -16.415  -3.595  -4.837
  207   3HB   ALA  28          3HB       ALA  28 -17.014  -2.878  -6.333
  208    H    VAL  29           H        VAL  29 -13.821  -2.691  -4.032
  209    HA   VAL  29           HA       VAL  29 -12.278  -5.256  -4.022
  210    HB   VAL  29           HB       VAL  29 -10.519  -4.094  -2.781
  211   1HG1  VAL  29          3HG1      VAL  29 -11.075  -3.780  -5.448
  212   2HG1  VAL  29          2HG1      VAL  29 -10.935  -2.103  -4.919
  213   3HG1  VAL  29          1HG1      VAL  29  -9.595  -3.222  -4.668
  214   1HG2  VAL  29          2HG2      VAL  29 -12.581  -1.921  -2.771
  215   2HG2  VAL  29          1HG2      VAL  29 -11.497  -2.440  -1.481
  216   3HG2  VAL  29          3HG2      VAL  29 -10.880  -1.457  -2.808
  217    H    LYS  30           H        LYS  30 -11.582  -5.729  -1.603
  218    HA   LYS  30           HA       LYS  30 -13.923  -5.156   0.169
  219   1HB   LYS  30          2HB       LYS  30 -13.842  -7.518  -0.823
  220   2HB   LYS  30          1HB       LYS  30 -12.399  -7.768   0.161
  221   1HG   LYS  30          2HG       LYS  30 -14.475  -6.569   1.766
  222   2HG   LYS  30          1HG       LYS  30 -15.091  -8.023   0.982
  223   1HD   LYS  30          2HD       LYS  30 -12.417  -8.512   1.932
  224   2HD   LYS  30          1HD       LYS  30 -13.403  -7.879   3.252
  225   1HE   LYS  30          2HE       LYS  30 -14.038 -10.068   3.449
  226   2HE   LYS  30          1HE       LYS  30 -15.160  -9.629   2.162
  227   1HZ   LYS  30          1HZ       LYS  30 -13.481 -10.351   0.547
  228   2HZ   LYS  30          3HZ       LYS  30 -12.478 -10.856   1.818
  229   3HZ   LYS  30          2HZ       LYS  30 -13.976 -11.617   1.565
  230    H    ARG  31           H        ARG  31 -13.345  -4.369   2.147
  231    HA   ARG  31           HA       ARG  31 -10.850  -3.443   2.843
  232   1HB   ARG  31          2HB       ARG  31 -12.725  -2.874   4.228
  233   2HB   ARG  31          1HB       ARG  31 -13.013  -4.566   4.637
  234   1HG   ARG  31          2HG       ARG  31 -11.027  -4.691   5.954
  235   2HG   ARG  31          1HG       ARG  31 -10.424  -3.160   5.316
  236   1HD   ARG  31          2HD       ARG  31 -12.619  -2.163   6.330
  237   2HD   ARG  31          1HD       ARG  31 -12.636  -3.637   7.297
  238    HE   ARG  31           HE       ARG  31 -10.298  -1.770   7.303
  239   1HH1  ARG  31          2HH1      ARG  31  -9.823  -4.241   8.767
  240   2HH1  ARG  31          1HH1      ARG  31 -10.376  -3.882  10.369
  241   1HH2  ARG  31          1HH2      ARG  31 -12.220  -1.111   9.397
  242   2HH2  ARG  31          2HH2      ARG  31 -11.733  -2.109  10.726
  243    H    ASP  32           H        ASP  32  -8.983  -4.294   3.782
  244    HA   ASP  32           HA       ASP  32  -7.444  -5.936   4.452
  245   1HB   ASP  32          2HB       ASP  32  -9.571  -6.463   5.964
  246   2HB   ASP  32          1HB       ASP  32  -9.642  -7.904   4.950
  247    H    GLU  33           H        GLU  33  -7.974  -5.721   1.725
  248    HA   GLU  33           HA       GLU  33  -7.642  -8.560   0.880
  249   1HB   GLU  33          2HB       GLU  33  -9.983  -7.646   0.392
  250   2HB   GLU  33          1HB       GLU  33  -9.206  -6.549  -0.750
  251   1HG   GLU  33          2HG       GLU  33  -8.740  -8.218  -2.240
  252   2HG   GLU  33          1HG       GLU  33  -8.419  -9.399  -0.970
  253    H    LEU  34           H        LEU  34  -5.762  -8.767  -0.233
  254    HA   LEU  34           HA       LEU  34  -3.888  -6.813  -0.720
  255   1HB   LEU  34          2HB       LEU  34  -3.507  -9.240  -1.090
  256   2HB   LEU  34          1HB       LEU  34  -4.462  -9.146  -2.569
  257    HG   LEU  34           HG       LEU  34  -2.881  -7.516  -3.508
  258   1HD1  LEU  34          2HD1      LEU  34  -1.976  -7.472  -0.724
  259   2HD1  LEU  34          1HD1      LEU  34  -0.646  -7.650  -1.868
  260   3HD1  LEU  34          3HD1      LEU  34  -1.742  -6.275  -1.998
  261   1HD2  LEU  34          1HD2      LEU  34  -1.778 -10.112  -2.428
  262   2HD2  LEU  34          3HD2      LEU  34  -2.309  -9.746  -4.070
  263   3HD2  LEU  34          2HD2      LEU  34  -0.802  -9.062  -3.457
  264    H    ILE  35           H        ILE  35  -3.348  -5.471  -2.535
  265    HA   ILE  35           HA       ILE  35  -5.462  -5.168  -4.609
  266    HB   ILE  35           HB       ILE  35  -4.362  -2.966  -2.842
  267   1HG1  ILE  35          2HG1      ILE  35  -7.120  -4.102  -3.380
  268   2HG1  ILE  35          1HG1      ILE  35  -6.252  -4.072  -1.845
  269   1HG2  ILE  35          3HG2      ILE  35  -4.438  -2.365  -5.298
  270   2HG2  ILE  35          2HG2      ILE  35  -6.175  -2.671  -5.252
  271   3HG2  ILE  35          1HG2      ILE  35  -5.481  -1.379  -4.272
  272   1HD1  ILE  35          1HD1      ILE  35  -7.127  -1.597  -3.359
  273   2HD1  ILE  35          3HD1      ILE  35  -8.013  -2.300  -2.006
  274   3HD1  ILE  35          2HD1      ILE  35  -6.394  -1.646  -1.754
  275    H    VAL  36           H        VAL  36  -2.180  -4.371  -3.511
  276    HA   VAL  36           HA       VAL  36  -1.219  -4.685  -6.274
  277    HB   VAL  36           HB       VAL  36  -1.901  -2.267  -6.066
  278   1HG1  VAL  36          2HG1      VAL  36  -1.369  -2.010  -3.668
  279   2HG1  VAL  36          1HG1      VAL  36   0.344  -2.238  -4.025
  280   3HG1  VAL  36          3HG1      VAL  36  -0.504  -0.818  -4.639
  281   1HG2  VAL  36          3HG2      VAL  36   1.012  -3.004  -6.441
  282   2HG2  VAL  36          2HG2      VAL  36  -0.217  -2.790  -7.688
  283   3HG2  VAL  36          1HG2      VAL  36   0.386  -1.393  -6.795
  284    H    ASP  37           H        ASP  37   0.764  -5.653  -6.209
  285    HA   ASP  37           HA       ASP  37   2.093  -5.864  -3.562
  286   1HB   ASP  37          2HB       ASP  37   2.179  -7.452  -6.109
  287   2HB   ASP  37          1HB       ASP  37   3.533  -7.551  -4.982
  288    H    ILE  38           H        ILE  38   4.366  -5.401  -3.352
  289    HA   ILE  38           HA       ILE  38   5.391  -3.558  -5.474
  290    HB   ILE  38           HB       ILE  38   6.268  -3.515  -2.587
  291   1HG1  ILE  38          2HG1      ILE  38   3.909  -2.106  -3.870
  292   2HG1  ILE  38          1HG1      ILE  38   3.866  -3.220  -2.502
  293   1HG2  ILE  38          2HG2      ILE  38   6.882  -2.064  -5.004
  294   2HG2  ILE  38          1HG2      ILE  38   6.194  -0.963  -3.809
  295   3HG2  ILE  38          3HG2      ILE  38   7.623  -1.916  -3.410
  296   1HD1  ILE  38          1HD1      ILE  38   5.732  -1.070  -1.986
  297   2HD1  ILE  38          3HD1      ILE  38   4.145  -0.418  -2.394
  298   3HD1  ILE  38          2HD1      ILE  38   4.314  -1.554  -1.055
  299    H    GLU  39           H        GLU  39   7.582  -3.791  -6.086
  300    HA   GLU  39           HA       GLU  39   8.867  -6.316  -5.123
  301   1HB   GLU  39          2HB       GLU  39   8.136  -5.797  -7.670
  302   2HB   GLU  39          1HB       GLU  39   9.745  -5.075  -7.680
  303   1HG   GLU  39          2HG       GLU  39   9.676  -7.681  -6.340
  304   2HG   GLU  39          1HG       GLU  39   9.195  -7.767  -8.035
  305    H    THR  40           H        THR  40  10.457  -5.794  -3.694
  306    HA   THR  40           HA       THR  40  12.039  -3.314  -4.203
  307    HB   THR  40           HB       THR  40  10.811  -3.725  -1.962
  308    HG1  THR  40           HG1      THR  40  12.176  -2.221  -1.514
  309   1HG2  THR  40          1HG2      THR  40  11.775  -6.148  -1.941
  310   2HG2  THR  40          3HG2      THR  40  13.234  -5.382  -1.309
  311   3HG2  THR  40          2HG2      THR  40  11.714  -5.245  -0.425
  312    H    ASP  41           H        ASP  41  14.218  -4.239  -2.465
  313    HA   ASP  41           HA       ASP  41  16.053  -5.234  -4.258
  314   1HB   ASP  41          2HB       ASP  41  16.018  -4.803  -1.509
  315   2HB   ASP  41          1HB       ASP  41  16.398  -6.520  -1.658
  316    H    LYS  42           H        LYS  42  14.657  -7.448  -1.821
  317    HA   LYS  42           HA       LYS  42  14.181  -9.440  -3.972
  318   1HB   LYS  42          2HB       LYS  42  15.772 -10.080  -1.470
  319   2HB   LYS  42          1HB       LYS  42  15.405 -11.181  -2.799
  320   1HG   LYS  42          2HG       LYS  42  16.588  -9.380  -4.283
  321   2HG   LYS  42          1HG       LYS  42  17.291  -8.837  -2.758
  322   1HD   LYS  42          2HD       LYS  42  17.365 -11.764  -3.298
  323   2HD   LYS  42          1HD       LYS  42  18.436 -10.750  -4.266
  324   1HE   LYS  42          2HE       LYS  42  18.293 -10.785  -1.236
  325   2HE   LYS  42          1HE       LYS  42  19.576 -11.494  -2.216
  326   1HZ   LYS  42          3HZ       LYS  42  19.323  -8.912  -3.112
  327   2HZ   LYS  42          2HZ       LYS  42  19.202  -8.788  -1.422
  328   3HZ   LYS  42          1HZ       LYS  42  20.562  -9.524  -2.127
  329    H    VAL  43           H        VAL  43  12.359  -7.880  -2.356
  330    HA   VAL  43           HA       VAL  43  10.892 -10.126  -1.099
  331    HB   VAL  43           HB       VAL  43  11.074  -7.529   0.406
  332   1HG1  VAL  43          2HG1      VAL  43  10.007 -10.239   0.783
  333   2HG1  VAL  43          1HG1      VAL  43  10.954  -9.667   2.157
  334   3HG1  VAL  43          3HG1      VAL  43   9.567  -8.735   1.594
  335   1HG2  VAL  43          1HG2      VAL  43  13.091  -9.767   0.319
  336   2HG2  VAL  43          3HG2      VAL  43  13.373  -8.027   0.322
  337   3HG2  VAL  43          2HG2      VAL  43  12.852  -8.837   1.798
  338    H    VAL  44           H        VAL  44   8.634  -9.827  -1.175
  339    HA   VAL  44           HA       VAL  44   7.759  -7.432  -2.733
  340    HB   VAL  44           HB       VAL  44   7.380  -9.612  -3.846
  341   1HG1  VAL  44          2HG1      VAL  44   6.863 -10.524  -1.296
  342   2HG1  VAL  44          1HG1      VAL  44   5.246 -10.431  -1.995
  343   3HG1  VAL  44          3HG1      VAL  44   6.491 -11.405  -2.777
  344   1HG2  VAL  44          1HG2      VAL  44   5.497  -7.562  -3.378
  345   2HG2  VAL  44          3HG2      VAL  44   5.496  -8.720  -4.708
  346   3HG2  VAL  44          2HG2      VAL  44   4.601  -9.074  -3.231
  347    H    MET  45           H        MET  45   6.282  -6.068  -1.802
  348    HA   MET  45           HA       MET  45   5.257  -6.837   0.893
  349   1HB   MET  45          2HB       MET  45   5.997  -4.243  -0.401
  350   2HB   MET  45          1HB       MET  45   4.726  -4.227   0.823
  351   1HG   MET  45          2HG       MET  45   6.507  -5.747   2.125
  352   2HG   MET  45          1HG       MET  45   7.630  -4.840   1.112
  353   1HE   MET  45          1HE       MET  45   8.802  -3.524   2.070
  354   2HE   MET  45          3HE       MET  45   8.424  -2.041   2.958
  355   3HE   MET  45          2HE       MET  45   8.570  -3.572   3.816
  356    H    GLU  46           H        GLU  46   3.106  -7.245   1.091
  357    HA   GLU  46           HA       GLU  46   1.359  -6.906  -1.236
  358   1HB   GLU  46          2HB       GLU  46   0.380  -7.710   1.490
  359   2HB   GLU  46          1HB       GLU  46  -0.168  -8.261  -0.095
  360   1HG   GLU  46          2HG       GLU  46   2.100  -9.348  -0.393
  361   2HG   GLU  46          1HG       GLU  46   2.421  -8.977   1.301
  362    H    VAL  47           H        VAL  47  -0.042  -5.226  -1.547
  363    HA   VAL  47           HA       VAL  47  -0.403  -3.318   0.730
  364    HB   VAL  47           HB       VAL  47  -0.402  -2.769  -2.254
  365   1HG1  VAL  47          1HG1      VAL  47  -1.986  -1.370  -0.875
  366   2HG1  VAL  47          3HG1      VAL  47  -0.594  -0.818   0.057
  367   3HG1  VAL  47          2HG1      VAL  47  -0.708  -0.445  -1.663
  368   1HG2  VAL  47          2HG2      VAL  47   1.544  -2.066  -0.032
  369   2HG2  VAL  47          1HG2      VAL  47   1.847  -3.158  -1.383
  370   3HG2  VAL  47          3HG2      VAL  47   1.635  -1.431  -1.675
  371    H    LEU  48           H        LEU  48  -2.390  -3.944   1.549
  372    HA   LEU  48           HA       LEU  48  -4.610  -4.374  -0.374
  373   1HB   LEU  48          2HB       LEU  48  -5.659  -4.951   2.073
  374   2HB   LEU  48          1HB       LEU  48  -4.896  -6.141   1.030
  375    HG   LEU  48           HG       LEU  48  -2.721  -5.666   2.179
  376   1HD1  LEU  48          1HD1      LEU  48  -3.513  -3.354   2.941
  377   2HD1  LEU  48          3HD1      LEU  48  -4.412  -4.189   4.208
  378   3HD1  LEU  48          2HD1      LEU  48  -2.654  -4.313   4.148
  379   1HD2  LEU  48          1HD2      LEU  48  -5.079  -6.562   3.863
  380   2HD2  LEU  48          3HD2      LEU  48  -4.002  -7.583   2.910
  381   3HD2  LEU  48          2HD2      LEU  48  -3.397  -6.767   4.352
  382    H    ALA  49           H        ALA  49  -6.736  -3.388   0.264
  383    HA   ALA  49           HA       ALA  49  -6.345  -0.570   0.938
  384   1HB   ALA  49          3HB       ALA  49  -8.518  -2.256  -0.143
  385   2HB   ALA  49          2HB       ALA  49  -9.057  -0.911   0.860
  386   3HB   ALA  49          1HB       ALA  49  -8.061  -0.606  -0.562
  387    H    GLU  50           H        GLU  50  -7.013   0.457   2.837
  388    HA   GLU  50           HA       GLU  50  -7.343  -1.281   5.177
  389   1HB   GLU  50          2HB       GLU  50  -6.465   1.411   4.674
  390   2HB   GLU  50          1HB       GLU  50  -7.754   1.441   5.877
  391   1HG   GLU  50          2HG       GLU  50  -6.558   0.148   7.394
  392   2HG   GLU  50          1HG       GLU  50  -5.584  -0.610   6.134
  393    H    ALA  51           H        ALA  51  -9.471  -0.477   2.904
  394    HA   ALA  51           HA       ALA  51 -11.777  -0.975   4.518
  395   1HB   ALA  51          3HB       ALA  51 -11.153   1.907   3.878
  396   2HB   ALA  51          2HB       ALA  51 -12.813   1.361   4.116
  397   3HB   ALA  51          1HB       ALA  51 -11.639   1.207   5.423
  398    H    ASP  52           H        ASP  52 -13.530  -1.456   3.182
  399    HA   ASP  52           HA       ASP  52 -13.056  -1.929   0.426
  400   1HB   ASP  52          2HB       ASP  52 -14.816  -3.200   1.184
  401   2HB   ASP  52          1HB       ASP  52 -15.458  -1.918   2.203
  402    H    GLY  53           H        GLY  53 -14.491  -0.915  -1.337
  403   1HA   GLY  53          2HA       GLY  53 -15.712   1.501  -1.453
  404   2HA   GLY  53          1HA       GLY  53 -14.027   1.998  -1.263
  405    H    VAL  54           H        VAL  54 -13.773   2.859  -3.350
  406    HA   VAL  54           HA       VAL  54 -13.670   0.815  -5.515
  407    HB   VAL  54           HB       VAL  54 -15.029   3.518  -5.642
  408   1HG1  VAL  54          2HG1      VAL  54 -14.191   1.663  -7.891
  409   2HG1  VAL  54          1HG1      VAL  54 -15.293   3.026  -8.082
  410   3HG1  VAL  54          3HG1      VAL  54 -13.616   3.307  -7.616
  411   1HG2  VAL  54          2HG2      VAL  54 -16.063   1.083  -5.018
  412   2HG2  VAL  54          1HG2      VAL  54 -16.979   2.336  -5.856
  413   3HG2  VAL  54          3HG2      VAL  54 -16.212   1.042  -6.775
  414    H    ILE  55           H        ILE  55 -11.691   0.873  -6.457
  415    HA   ILE  55           HA       ILE  55  -9.658   2.708  -5.721
  416    HB   ILE  55           HB       ILE  55  -9.950   0.899  -8.125
  417   1HG1  ILE  55          2HG1      ILE  55  -8.547   0.787  -5.452
  418   2HG1  ILE  55          1HG1      ILE  55  -9.688  -0.369  -6.138
  419   1HG2  ILE  55          2HG2      ILE  55  -7.563   2.554  -7.242
  420   2HG2  ILE  55          1HG2      ILE  55  -7.523   1.310  -8.492
  421   3HG2  ILE  55          3HG2      ILE  55  -8.480   2.771  -8.732
  422   1HD1  ILE  55          3HD1      ILE  55  -7.846  -0.568  -8.029
  423   2HD1  ILE  55          2HD1      ILE  55  -6.784   0.019  -6.748
  424   3HD1  ILE  55          1HD1      ILE  55  -7.691  -1.477  -6.525
  425    H    ALA  56           H        ALA  56  -8.583   4.314  -7.168
  426    HA   ALA  56           HA       ALA  56 -10.639   5.897  -8.616
  427   1HB   ALA  56          2HB       ALA  56  -7.856   6.605  -7.644
  428   2HB   ALA  56          1HB       ALA  56  -8.913   7.712  -8.520
  429   3HB   ALA  56          3HB       ALA  56  -9.383   7.119  -6.928
  430    H    GLU  57           H        GLU  57  -7.138   5.314  -9.118
  431    HA   GLU  57           HA       GLU  57  -7.468   4.122 -11.706
  432   1HB   GLU  57          2HB       GLU  57  -8.161   6.648 -11.982
  433   2HB   GLU  57          1HB       GLU  57  -6.419   6.926 -11.950
  434   1HG   GLU  57          2HG       GLU  57  -6.053   5.703 -13.908
  435   2HG   GLU  57          1HG       GLU  57  -7.551   4.790 -13.735
  436    H    ILE  58           H        ILE  58  -5.509   3.246 -12.342
  437    HA   ILE  58           HA       ILE  58  -3.173   3.902 -10.612
  438    HB   ILE  58           HB       ILE  58  -3.574   1.535 -12.465
  439   1HG1  ILE  58          2HG1      ILE  58  -5.240   1.381 -10.741
  440   2HG1  ILE  58          1HG1      ILE  58  -3.917   0.315 -10.253
  441   1HG2  ILE  58          2HG2      ILE  58  -1.218   2.115 -11.928
  442   2HG2  ILE  58          1HG2      ILE  58  -1.604   2.026 -10.210
  443   3HG2  ILE  58          3HG2      ILE  58  -1.695   0.577 -11.211
  444   1HD1  ILE  58          3HD1      ILE  58  -2.997   2.233  -8.888
  445   2HD1  ILE  58          2HD1      ILE  58  -4.485   3.113  -9.239
  446   3HD1  ILE  58          1HD1      ILE  58  -4.547   1.610  -8.318
  447    H    VAL  59           H        VAL  59  -1.659   5.214 -11.497
  448    HA   VAL  59           HA       VAL  59  -1.618   5.609 -14.425
  449    HB   VAL  59           HB       VAL  59   0.099   6.939 -12.311
  450   1HG1  VAL  59          2HG1      VAL  59  -0.075   7.075 -15.199
  451   2HG1  VAL  59          1HG1      VAL  59  -0.467   8.639 -14.485
  452   3HG1  VAL  59          3HG1      VAL  59   1.074   7.864 -14.119
  453   1HG2  VAL  59          1HG2      VAL  59  -2.325   7.249 -11.854
  454   2HG2  VAL  59          3HG2      VAL  59  -1.556   8.755 -12.353
  455   3HG2  VAL  59          2HG2      VAL  59  -2.543   7.848 -13.497
  456    H    LYS  60           H        LYS  60   0.095   3.857 -11.999
  457    HA   LYS  60           HA       LYS  60   2.458   3.512 -13.768
  458   1HB   LYS  60          2HB       LYS  60   2.038   3.499 -10.926
  459   2HB   LYS  60          1HB       LYS  60   2.680   1.930 -11.414
  460   1HG   LYS  60          2HG       LYS  60   4.671   3.070 -11.213
  461   2HG   LYS  60          1HG       LYS  60   4.290   3.488 -12.885
  462   1HD   LYS  60          2HD       LYS  60   2.958   5.293 -11.045
  463   2HD   LYS  60          1HD       LYS  60   4.698   5.280 -10.759
  464   1HE   LYS  60          2HE       LYS  60   5.178   5.892 -13.008
  465   2HE   LYS  60          1HE       LYS  60   3.535   5.534 -13.535
  466   1HZ   LYS  60          1HZ       LYS  60   3.449   7.411 -11.445
  467   2HZ   LYS  60          3HZ       LYS  60   4.543   7.960 -12.619
  468   3HZ   LYS  60          2HZ       LYS  60   2.942   7.594 -13.056
  469    H    ASN  61           H        ASN  61   2.735   1.659 -14.941
  470    HA   ASN  61           HA       ASN  61   0.655  -0.446 -14.665
  471   1HB   ASN  61          2HB       ASN  61   2.602   0.315 -16.839
  472   2HB   ASN  61          1HB       ASN  61   1.812  -1.262 -16.846
  473   1HD2  ASN  61          2HD2      ASN  61  -0.287   2.028 -17.937
  474   2HD2  ASN  61          1HD2      ASN  61   1.367   2.116 -17.528
  475    H    GLU  62           H        GLU  62   1.324  -2.712 -14.619
  476    HA   GLU  62           HA       GLU  62   3.271  -3.347 -12.706
  477   1HB   GLU  62          2HB       GLU  62   2.382  -5.080 -15.034
  478   2HB   GLU  62          1HB       GLU  62   3.142  -5.655 -13.548
  479   1HG   GLU  62          2HG       GLU  62   1.250  -4.733 -12.237
  480   2HG   GLU  62          1HG       GLU  62   0.478  -4.217 -13.741
  481    H    GLY  63           H        GLY  63   5.449  -4.076 -12.858
  482   1HA   GLY  63          2HA       GLY  63   7.584  -4.321 -13.833
  483   2HA   GLY  63          1HA       GLY  63   6.824  -4.186 -15.423
  484    H    ASP  64           H        ASP  64   6.081  -1.706 -13.142
  485    HA   ASP  64           HA       ASP  64   7.717   0.183 -14.756
  486   1HB   ASP  64          2HB       ASP  64   5.603   1.087 -14.756
  487   2HB   ASP  64          1HB       ASP  64   5.178   0.390 -13.194
  488    H    THR  65           H        THR  65   8.578   2.087 -13.403
  489    HA   THR  65           HA       THR  65   9.927   0.943 -10.994
  490    HB   THR  65           HB       THR  65  10.728   3.248 -12.798
  491    HG1  THR  65           HG1      THR  65  11.486   1.615 -13.872
  492   1HG2  THR  65          3HG2      THR  65  11.320   3.379 -10.289
  493   2HG2  THR  65          2HG2      THR  65  12.387   2.010 -10.605
  494   3HG2  THR  65          1HG2      THR  65  12.643   3.540 -11.444
  495    H    VAL  66           H        VAL  66   9.577   1.892  -9.023
  496    HA   VAL  66           HA       VAL  66   7.755   4.245  -8.971
  497    HB   VAL  66           HB       VAL  66   7.329   3.617  -6.635
  498   1HG1  VAL  66          3HG1      VAL  66   6.986   1.745  -8.896
  499   2HG1  VAL  66          2HG1      VAL  66   6.791   1.020  -7.300
  500   3HG1  VAL  66          1HG1      VAL  66   5.786   2.389  -7.775
  501   1HG2  VAL  66          1HG2      VAL  66   9.835   2.269  -6.959
  502   2HG2  VAL  66          3HG2      VAL  66   8.882   2.459  -5.486
  503   3HG2  VAL  66          2HG2      VAL  66   8.616   1.067  -6.536
  504    H    LEU  67           H        LEU  67   8.227   5.902  -7.254
  505    HA   LEU  67           HA       LEU  67  11.083   6.084  -6.479
  506   1HB   LEU  67          2HB       LEU  67   9.996   7.494  -8.698
  507   2HB   LEU  67          1HB       LEU  67  10.247   8.670  -7.408
  508    HG   LEU  67           HG       LEU  67  12.416   6.680  -7.915
  509   1HD1  LEU  67          3HD1      LEU  67  11.706   9.004  -9.714
  510   2HD1  LEU  67          2HD1      LEU  67  13.347   8.364  -9.613
  511   3HD1  LEU  67          1HD1      LEU  67  12.030   7.333 -10.174
  512   1HD2  LEU  67          1HD2      LEU  67  12.018   9.045  -6.398
  513   2HD2  LEU  67          3HD2      LEU  67  13.499   8.101  -6.542
  514   3HD2  LEU  67          2HD2      LEU  67  13.197   9.441  -7.647
  515    H    SER  68           H        SER  68  11.391   8.012  -4.964
  516    HA   SER  68           HA       SER  68   9.468   7.906  -2.855
  517   1HB   SER  68          2HB       SER  68  12.001   8.686  -2.900
  518   2HB   SER  68          1HB       SER  68  11.281  10.274  -3.150
  519    HG   SER  68           HG       SER  68  10.784  10.273  -1.118
  520    H    GLY  69           H        GLY  69   7.450   8.760  -2.956
  521   1HA   GLY  69          2HA       GLY  69   5.907  10.589  -3.051
  522   2HA   GLY  69          1HA       GLY  69   7.121  11.537  -3.909
  523    H    GLU  70           H        GLU  70   6.647   8.324  -5.047
  524    HA   GLU  70           HA       GLU  70   5.604   9.367  -7.585
  525   1HB   GLU  70          2HB       GLU  70   7.330   7.539  -7.451
  526   2HB   GLU  70          1HB       GLU  70   6.087   6.485  -6.776
  527   1HG   GLU  70          2HG       GLU  70   5.963   5.979  -9.058
  528   2HG   GLU  70          1HG       GLU  70   4.706   7.205  -8.884
  529    H    LEU  71           H        LEU  71   3.455   9.564  -7.968
  530    HA   LEU  71           HA       LEU  71   1.522   8.331  -6.130
  531   1HB   LEU  71          2HB       LEU  71   1.340  10.686  -7.141
  532   2HB   LEU  71          1HB       LEU  71   0.880   9.884  -8.643
  533    HG   LEU  71           HG       LEU  71  -0.636   8.691  -6.549
  534   1HD1  LEU  71          3HD1      LEU  71  -0.539  11.716  -6.491
  535   2HD1  LEU  71          2HD1      LEU  71  -1.909  10.797  -5.871
  536   3HD1  LEU  71          1HD1      LEU  71  -0.316  10.601  -5.142
  537   1HD2  LEU  71          1HD2      LEU  71  -1.179   9.043  -9.008
  538   2HD2  LEU  71          3HD2      LEU  71  -2.495   9.414  -7.896
  539   3HD2  LEU  71          2HD2      LEU  71  -1.547  10.720  -8.607
  540    H    LEU  72           H        LEU  72   0.780   6.299  -6.481
  541    HA   LEU  72           HA       LEU  72   0.952   5.177  -9.231
  542   1HB   LEU  72          2HB       LEU  72   0.231   3.650  -6.727
  543   2HB   LEU  72          1HB       LEU  72   0.905   3.027  -8.233
  544    HG   LEU  72           HG       LEU  72   2.309   4.771  -6.193
  545   1HD1  LEU  72          3HD1      LEU  72   2.109   1.935  -6.628
  546   2HD1  LEU  72          2HD1      LEU  72   3.767   2.449  -6.939
  547   3HD1  LEU  72          1HD1      LEU  72   3.015   2.794  -5.382
  548   1HD2  LEU  72          3HD2      LEU  72   2.738   4.449  -9.057
  549   2HD2  LEU  72          2HD2      LEU  72   3.527   5.552  -7.929
  550   3HD2  LEU  72          1HD2      LEU  72   4.140   3.910  -8.133
  551    H    GLY  73           H        GLY  73  -1.313   6.350  -6.911
  552   1HA   GLY  73          2HA       GLY  73  -3.522   6.551  -8.526
  553   2HA   GLY  73          1HA       GLY  73  -3.601   4.871  -7.983
  554    H    LYS  74           H        LYS  74  -5.644   6.560  -7.243
  555    HA   LYS  74           HA       LYS  74  -5.092   6.954  -4.330
  556   1HB   LYS  74          2HB       LYS  74  -6.654   8.866  -4.367
  557   2HB   LYS  74          1HB       LYS  74  -5.304   9.138  -5.471
  558   1HG   LYS  74          2HG       LYS  74  -6.792   8.162  -7.308
  559   2HG   LYS  74          1HG       LYS  74  -8.127   8.307  -6.164
  560   1HD   LYS  74          2HD       LYS  74  -8.351  10.438  -6.868
  561   2HD   LYS  74          1HD       LYS  74  -6.842  10.780  -6.022
  562   1HE   LYS  74          2HE       LYS  74  -6.749   9.618  -8.789
  563   2HE   LYS  74          1HE       LYS  74  -7.049  11.344  -8.582
  564   1HZ   LYS  74          2HZ       LYS  74  -5.023  11.168  -6.988
  565   2HZ   LYS  74          1HZ       LYS  74  -4.664   9.776  -7.894
  566   3HZ   LYS  74          3HZ       LYS  74  -4.776  11.282  -8.665
  567    H    LEU  75           H        LEU  75  -7.020   6.653  -2.962
  568    HA   LEU  75           HA       LEU  75  -8.812   4.587  -4.117
  569   1HB   LEU  75          2HB       LEU  75  -7.540   4.262  -1.917
  570   2HB   LEU  75          1HB       LEU  75  -8.651   5.442  -1.221
  571    HG   LEU  75           HG       LEU  75 -10.501   3.914  -2.295
  572   1HD1  LEU  75          2HD1      LEU  75  -8.761   2.509  -3.472
  573   2HD1  LEU  75          1HD1      LEU  75  -8.259   1.916  -1.889
  574   3HD1  LEU  75          3HD1      LEU  75  -9.889   1.585  -2.480
  575   1HD2  LEU  75          1HD2      LEU  75  -9.098   3.915   0.250
  576   2HD2  LEU  75          3HD2      LEU  75 -10.821   3.714  -0.069
  577   3HD2  LEU  75          2HD2      LEU  75  -9.747   2.315  -0.110
  578    H    THR  76           H        THR  76 -11.124   4.759  -3.851
  579    HA   THR  76           HA       THR  76 -12.039   7.593  -3.643
  580    HB   THR  76           HB       THR  76 -13.597   5.270  -4.796
  581    HG1  THR  76           HG1      THR  76 -12.805   6.370  -6.815
  582   1HG2  THR  76          1HG2      THR  76 -13.880   8.228  -4.632
  583   2HG2  THR  76          3HG2      THR  76 -14.375   7.464  -6.143
  584   3HG2  THR  76          2HG2      THR  76 -15.122   6.975  -4.622
  585    H    GLU  77           H        GLU  77 -14.380   7.742  -2.755
  586    HA   GLU  77           HA       GLU  77 -14.401   6.728  -0.073
  587   1HB   GLU  77          2HB       GLU  77 -16.563   7.981  -1.785
  588   2HB   GLU  77          1HB       GLU  77 -16.800   7.563  -0.087
  589   1HG   GLU  77          2HG       GLU  77 -14.764   8.968   0.446
  590   2HG   GLU  77          1HG       GLU  77 -14.791   9.520  -1.230
  591    H    GLY  78           H        GLY  78 -16.689   5.607   0.606
  592   1HA   GLY  78          2HA       GLY  78 -17.076   3.280  -1.232
  593   2HA   GLY  78          1HA       GLY  78 -16.872   3.046   0.504
  594    H    GLY  79           HN       GLY  79 -18.977   2.112   0.720
  595   1HA   GLY  79          2HA       GLY  79 -21.064   3.442   1.718
  596   2HA   GLY  79          1HA       GLY  79 -21.296   3.813   0.009
   
  No H/Q in entry =         596
  Start of MODEL   19
    1   1H    ALA   1          3H        ALA   1  -9.920   8.627   3.394
    2   2H    ALA   1          2H        ALA   1  -9.884  10.079   2.513
    3   3H    ALA   1          1H        ALA   1 -11.257   9.080   2.454
    4    HA   ALA   1           HA       ALA   1 -10.324   7.593   1.033
    5   1HB   ALA   1          1HB       ALA   1  -9.414  10.361   0.580
    6   2HB   ALA   1          3HB       ALA   1  -8.478   9.140  -0.282
    7   3HB   ALA   1          2HB       ALA   1 -10.222   9.248  -0.524
    8    H    ILE   2           H        ILE   2  -8.145   6.793   0.010
    9    HA   ILE   2           HA       ILE   2  -5.997   6.795   2.082
   10    HB   ILE   2           HB       ILE   2  -7.232   4.401   0.697
   11   1HG1  ILE   2          2HG1      ILE   2  -7.151   3.689   3.231
   12   2HG1  ILE   2          1HG1      ILE   2  -7.021   5.426   3.515
   13   1HG2  ILE   2          1HG2      ILE   2  -4.714   4.351   0.664
   14   2HG2  ILE   2          3HG2      ILE   2  -4.742   4.458   2.425
   15   3HG2  ILE   2          2HG2      ILE   2  -5.441   3.055   1.615
   16   1HD1  ILE   2          1HD1      ILE   2  -9.060   5.118   1.591
   17   2HD1  ILE   2          3HD1      ILE   2  -9.356   3.876   2.807
   18   3HD1  ILE   2          2HD1      ILE   2  -9.255   5.570   3.284
   19    H    ASP   3           H        ASP   3  -4.733   8.182   0.752
   20    HA   ASP   3           HA       ASP   3  -4.277   7.855  -2.028
   21   1HB   ASP   3          2HB       ASP   3  -3.581   9.853  -0.711
   22   2HB   ASP   3          1HB       ASP   3  -2.315   8.882   0.047
   23    H    ILE   4           H        ILE   4  -3.296   6.213  -3.098
   24    HA   ILE   4           HA       ILE   4  -1.608   4.324  -1.541
   25    HB   ILE   4           HB       ILE   4  -2.684   4.046  -4.362
   26   1HG1  ILE   4          2HG1      ILE   4  -3.761   2.753  -1.846
   27   2HG1  ILE   4          1HG1      ILE   4  -4.417   4.261  -2.486
   28   1HG2  ILE   4          3HG2      ILE   4  -1.304   2.197  -2.414
   29   2HG2  ILE   4          2HG2      ILE   4  -2.291   1.574  -3.736
   30   3HG2  ILE   4          1HG2      ILE   4  -0.865   2.550  -4.086
   31   1HD1  ILE   4          3HD1      ILE   4  -4.181   2.408  -4.651
   32   2HD1  ILE   4          2HD1      ILE   4  -5.008   1.597  -3.321
   33   3HD1  ILE   4          1HD1      ILE   4  -5.650   3.106  -3.967
   34    H    LYS   5           H        LYS   5   0.567   4.552  -1.688
   35    HA   LYS   5           HA       LYS   5   1.761   5.354  -4.276
   36   1HB   LYS   5          2HB       LYS   5   3.214   7.037  -3.116
   37   2HB   LYS   5          1HB       LYS   5   1.509   7.488  -3.136
   38   1HG   LYS   5          2HG       LYS   5   1.208   6.782  -0.858
   39   2HG   LYS   5          1HG       LYS   5   2.802   6.026  -0.822
   40   1HD   LYS   5          2HD       LYS   5   3.050   8.121   0.301
   41   2HD   LYS   5          1HD       LYS   5   3.764   8.343  -1.297
   42   1HE   LYS   5          2HE       LYS   5   2.390  10.258  -0.954
   43   2HE   LYS   5          1HE       LYS   5   1.471   9.213  -2.037
   44   1HZ   LYS   5          1HZ       LYS   5   0.320   8.327  -0.060
   45   2HZ   LYS   5          3HZ       LYS   5   1.126   9.470   0.900
   46   3HZ   LYS   5          2HZ       LYS   5   0.042   9.986  -0.302
   47    H    ALA   6           H        ALA   6   4.226   5.115  -4.128
   48    HA   ALA   6           HA       ALA   6   4.832   2.529  -2.971
   49   1HB   ALA   6          1HB       ALA   6   5.998   4.274  -4.898
   50   2HB   ALA   6          3HB       ALA   6   7.222   3.955  -3.669
   51   3HB   ALA   6          2HB       ALA   6   6.459   2.614  -4.523
   52    HA   PRO   7           HA       PRO   7   6.296   3.864   0.950
   53   1HB   PRO   7          2HB       PRO   7   7.893   1.704   1.530
   54   2HB   PRO   7          1HB       PRO   7   6.123   1.661   1.605
   55   1HG   PRO   7          2HG       PRO   7   7.944   0.489  -0.448
   56   2HG   PRO   7          1HG       PRO   7   6.315  -0.020   0.030
   57   1HD   PRO   7          2HD       PRO   7   6.977   1.470  -2.286
   58   2HD   PRO   7          1HD       PRO   7   5.342   1.237  -1.623
   59    H    THR   8           H        THR   8   7.908   5.317   1.427
   60    HA   THR   8           HA       THR   8  10.043   6.010  -0.204
   61    HB   THR   8           HB       THR   8   9.587   7.464   1.609
   62    HG1  THR   8           HG1      THR   8  11.881   6.172   2.593
   63   1HG2  THR   8          2HG2      THR   8   9.458   4.933   3.102
   64   2HG2  THR   8          1HG2      THR   8  10.221   6.250   3.991
   65   3HG2  THR   8          3HG2      THR   8   8.583   6.441   3.366
   66    H    PHE   9           H        PHE   9  12.191   5.329  -0.439
   67    HA   PHE   9           HA       PHE   9  12.781   2.646   0.720
   68   1HB   PHE   9          2HB       PHE   9  14.127   4.091  -1.585
   69   2HB   PHE   9          1HB       PHE   9  14.417   2.421  -1.086
   70    HD1  PHE   9           HD1      PHE   9  11.706   1.453  -0.494
   71    HD2  PHE   9           HD2      PHE   9  13.099   3.955  -3.699
   72    HE1  PHE   9           HE1      PHE   9   9.808   0.702  -1.904
   73    HE2  PHE   9           HE2      PHE   9  11.201   3.204  -5.110
   74    HZ   PHE   9           HZ       PHE   9   9.555   1.577  -4.212
   75    HA   PRO  10           HA       PRO  10  15.969   4.347   3.215
   76   1HB   PRO  10          2HB       PRO  10  17.561   2.117   3.445
   77   2HB   PRO  10          1HB       PRO  10  16.019   2.312   4.298
   78   1HG   PRO  10          2HG       PRO  10  16.652   0.612   1.931
   79   2HG   PRO  10          1HG       PRO  10  15.400   0.396   3.164
   80   1HD   PRO  10          2HD       PRO  10  14.995   1.409   0.551
   81   2HD   PRO  10          1HD       PRO  10  13.836   1.492   1.897
   82    H    GLU  11           H        GLU  11  18.356   4.784   3.203
   83    HA   GLU  11           HA       GLU  11  19.358   5.784   0.815
   84   1HB   GLU  11          2HB       GLU  11  21.691   5.170   1.936
   85   2HB   GLU  11          1HB       GLU  11  20.657   6.420   2.625
   86   1HG   GLU  11          2HG       GLU  11  20.274   5.214   4.497
   87   2HG   GLU  11          1HG       GLU  11  19.959   3.743   3.575
   88    H    SER  12           H        SER  12  20.028   2.532   2.155
   89    HA   SER  12           HA       SER  12  21.716   1.490   0.246
   90   1HB   SER  12          2HB       SER  12  20.084   0.417   2.230
   91   2HB   SER  12          1HB       SER  12  19.518  -0.366   0.753
   92    HG   SER  12           HG       SER  12  21.205  -1.589   1.305
   93    H    ILE  13           H        ILE  13  18.144   1.276  -0.022
   94    HA   ILE  13           HA       ILE  13  18.432   0.785  -2.923
   95    HB   ILE  13           HB       ILE  13  16.009   0.858  -1.100
   96   1HG1  ILE  13          2HG1      ILE  13  16.382  -1.651  -2.348
   97   2HG1  ILE  13          1HG1      ILE  13  17.975  -1.151  -1.779
   98   1HG2  ILE  13          1HG2      ILE  13  16.315   0.657  -4.063
   99   2HG2  ILE  13          3HG2      ILE  13  15.117  -0.387  -3.297
  100   3HG2  ILE  13          2HG2      ILE  13  15.007   1.364  -3.114
  101   1HD1  ILE  13          2HD1      ILE  13  15.993  -0.533   0.224
  102   2HD1  ILE  13          1HD1      ILE  13  15.868  -2.232  -0.233
  103   3HD1  ILE  13          3HD1      ILE  13  17.402  -1.587   0.352
  104    H    ALA  14           H        ALA  14  18.061   2.341  -4.454
  105    HA   ALA  14           HA       ALA  14  17.097   4.995  -3.473
  106   1HB   ALA  14          1HB       ALA  14  19.403   4.280  -4.961
  107   2HB   ALA  14          3HB       ALA  14  18.330   5.132  -6.072
  108   3HB   ALA  14          2HB       ALA  14  18.839   5.905  -4.570
  109    H    ASP  15           H        ASP  15  15.497   2.630  -4.455
  110    HA   ASP  15           HA       ASP  15  13.524   4.026  -5.930
  111   1HB   ASP  15          2HB       ASP  15  13.943   2.617  -8.127
  112   2HB   ASP  15          1HB       ASP  15  14.782   4.149  -7.886
  113    H    GLY  16           H        GLY  16  12.265   2.088  -7.357
  114   1HA   GLY  16          2HA       GLY  16  12.352  -0.479  -5.950
  115   2HA   GLY  16          1HA       GLY  16  10.922   0.487  -5.586
  116    H    THR  17           H        THR  17  10.070  -1.648  -6.696
  117    HA   THR  17           HA       THR  17   9.409  -0.891  -9.474
  118    HB   THR  17           HB       THR  17  10.590  -3.599  -8.780
  119    HG1  THR  17           HG1      THR  17  11.565  -1.316 -10.120
  120   1HG2  THR  17          1HG2      THR  17   8.714  -3.264 -10.608
  121   2HG2  THR  17          3HG2      THR  17  10.049  -2.608 -11.556
  122   3HG2  THR  17          2HG2      THR  17  10.124  -4.264 -10.956
  123    H    VAL  18           H        VAL  18   7.234  -1.110  -9.636
  124    HA   VAL  18           HA       VAL  18   5.524  -2.120  -7.679
  125    HB   VAL  18           HB       VAL  18   5.020  -2.261 -10.667
  126   1HG1  VAL  18          1HG1      VAL  18   3.257  -2.230  -8.212
  127   2HG1  VAL  18          3HG1      VAL  18   2.644  -1.774  -9.802
  128   3HG1  VAL  18          2HG1      VAL  18   3.270  -3.400  -9.532
  129   1HG2  VAL  18          2HG2      VAL  18   4.989   0.006  -8.687
  130   2HG2  VAL  18          1HG2      VAL  18   5.625  -0.022 -10.332
  131   3HG2  VAL  18          3HG2      VAL  18   3.883   0.025 -10.062
  132    H    ALA  19           H        ALA  19   4.083  -4.136  -7.921
  133    HA   ALA  19           HA       ALA  19   5.829  -6.446  -8.661
  134   1HB   ALA  19          3HB       ALA  19   4.716  -5.912  -6.223
  135   2HB   ALA  19          2HB       ALA  19   3.476  -6.940  -6.940
  136   3HB   ALA  19          1HB       ALA  19   5.129  -7.533  -6.783
  137    H    THR  20           H        THR  20   2.303  -6.131  -8.151
  138    HA   THR  20           HA       THR  20   1.754  -6.646 -10.977
  139    HB   THR  20           HB       THR  20   1.260  -8.777  -8.880
  140    HG1  THR  20           HG1      THR  20   3.270  -8.878  -9.864
  141   1HG2  THR  20          3HG2      THR  20  -0.740  -8.447 -10.301
  142   2HG2  THR  20          2HG2      THR  20   0.263  -8.636 -11.739
  143   3HG2  THR  20          1HG2      THR  20   0.044  -9.992 -10.633
  144    H    TRP  21           H        TRP  21  -0.270  -5.855 -11.474
  145    HA   TRP  21           HA       TRP  21  -1.863  -4.748  -9.261
  146   1HB   TRP  21          2HB       TRP  21  -1.677  -4.376 -12.215
  147   2HB   TRP  21          1HB       TRP  21  -3.226  -4.036 -11.446
  148    HD1  TRP  21           HD1      TRP  21   0.270  -2.707 -11.836
  149    HE1  TRP  21           HE1      TRP  21   0.475  -0.448 -10.597
  150    HE3  TRP  21           HE3      TRP  21  -4.156  -2.674  -9.285
  151    HZ2  TRP  21           HZ2      TRP  21  -1.010   1.140  -8.795
  152    HZ3  TRP  21           HZ3      TRP  21  -4.737  -0.765  -7.807
  153    HH2  TRP  21           HH2      TRP  21  -3.169   1.144  -7.558
  154    H    HIS  22           H        HIS  22  -2.616  -6.836  -8.443
  155    HA   HIS  22           HA       HIS  22  -3.882  -8.900  -9.800
  156   1HB   HIS  22          2HB       HIS  22  -5.360  -7.868  -7.411
  157   2HB   HIS  22          1HB       HIS  22  -4.881  -9.522  -7.807
  158    HD1  HIS  22           HD1      HIS  22  -3.493  -6.288  -6.458
  159    HD2  HIS  22           HD2      HIS  22  -2.341 -10.274  -6.835
  160    HE1  HIS  22           HE1      HIS  22  -1.308  -6.515  -5.231
  161    H    LYS  23           H        LYS  23  -5.872  -6.300  -8.357
  162    HA   LYS  23           HA       LYS  23  -7.825  -6.717 -10.557
  163   1HB   LYS  23          2HB       LYS  23  -8.032  -6.102  -7.763
  164   2HB   LYS  23          1HB       LYS  23  -8.752  -4.782  -8.686
  165   1HG   LYS  23          2HG       LYS  23 -10.564  -6.051  -9.084
  166   2HG   LYS  23          1HG       LYS  23  -9.550  -7.232  -9.912
  167   1HD   LYS  23          2HD       LYS  23  -8.959  -8.154  -7.611
  168   2HD   LYS  23          1HD       LYS  23 -10.253  -7.140  -6.971
  169   1HE   LYS  23          2HE       LYS  23 -10.788  -8.983  -9.288
  170   2HE   LYS  23          1HE       LYS  23 -10.801  -9.608  -7.639
  171   1HZ   LYS  23          3HZ       LYS  23 -12.389  -7.273  -8.551
  172   2HZ   LYS  23          2HZ       LYS  23 -12.999  -8.853  -8.431
  173   3HZ   LYS  23          1HZ       LYS  23 -12.474  -8.033  -7.038
  174    H    LYS  24           H        LYS  24  -9.042  -4.313 -10.790
  175    HA   LYS  24           HA       LYS  24  -6.863  -2.373 -11.440
  176   1HB   LYS  24          2HB       LYS  24  -8.756  -3.696 -13.244
  177   2HB   LYS  24          1HB       LYS  24  -8.803  -1.937 -13.373
  178   1HG   LYS  24          2HG       LYS  24  -6.763  -1.852 -14.348
  179   2HG   LYS  24          1HG       LYS  24  -6.074  -2.990 -13.189
  180   1HD   LYS  24          2HD       LYS  24  -7.945  -4.363 -14.903
  181   2HD   LYS  24          1HD       LYS  24  -6.759  -3.500 -15.884
  182   1HE   LYS  24          2HE       LYS  24  -5.005  -4.504 -14.249
  183   2HE   LYS  24          1HE       LYS  24  -6.288  -5.630 -13.806
  184   1HZ   LYS  24          1HZ       LYS  24  -5.298  -5.159 -16.566
  185   2HZ   LYS  24          3HZ       LYS  24  -4.894  -6.490 -15.595
  186   3HZ   LYS  24          2HZ       LYS  24  -6.498  -6.273 -16.111
  187    HA   PRO  25           HA       PRO  25  -9.469   0.696  -9.705
  188   1HB   PRO  25          2HB       PRO  25  -9.104   2.805 -11.433
  189   2HB   PRO  25          1HB       PRO  25  -7.881   2.269 -10.268
  190   1HG   PRO  25          2HG       PRO  25  -7.972   1.853 -13.225
  191   2HG   PRO  25          1HG       PRO  25  -6.569   1.963 -12.150
  192   1HD   PRO  25          2HD       PRO  25  -7.640  -0.427 -13.189
  193   2HD   PRO  25          1HD       PRO  25  -6.519  -0.309 -11.816
  194    H    GLY  26           H        GLY  26 -11.653   1.184  -9.773
  195   1HA   GLY  26          2HA       GLY  26 -13.617   2.021 -10.998
  196   2HA   GLY  26          1HA       GLY  26 -12.994   1.217 -12.443
  197    H    GLU  27           H        GLU  27 -12.555  -0.683  -9.677
  198    HA   GLU  27           HA       GLU  27 -15.006  -2.259 -10.359
  199   1HB   GLU  27          2HB       GLU  27 -13.784  -4.260  -9.752
  200   2HB   GLU  27          1HB       GLU  27 -12.796  -3.346 -10.893
  201   1HG   GLU  27          2HG       GLU  27 -11.140  -3.448  -9.363
  202   2HG   GLU  27          1HG       GLU  27 -12.085  -2.311  -8.400
  203    H    ALA  28           H        ALA  28 -15.633  -3.721  -8.387
  204    HA   ALA  28           HA       ALA  28 -16.086  -1.927  -6.127
  205   1HB   ALA  28          3HB       ALA  28 -16.780  -4.858  -6.499
  206   2HB   ALA  28          2HB       ALA  28 -17.368  -3.828  -5.194
  207   3HB   ALA  28          1HB       ALA  28 -17.840  -3.495  -6.861
  208    H    VAL  29           H        VAL  29 -15.214  -2.151  -4.037
  209    HA   VAL  29           HA       VAL  29 -13.020  -4.164  -3.754
  210    HB   VAL  29           HB       VAL  29 -12.922  -1.384  -2.569
  211   1HG1  VAL  29          1HG1      VAL  29 -11.149  -3.762  -2.735
  212   2HG1  VAL  29          3HG1      VAL  29 -10.367  -2.195  -2.946
  213   3HG1  VAL  29          2HG1      VAL  29 -11.275  -2.537  -1.473
  214   1HG2  VAL  29          2HG2      VAL  29 -12.648  -2.157  -5.336
  215   2HG2  VAL  29          1HG2      VAL  29 -12.489  -0.554  -4.620
  216   3HG2  VAL  29          3HG2      VAL  29 -11.087  -1.618  -4.717
  217    H    LYS  30           H        LYS  30 -12.502  -4.598  -1.415
  218    HA   LYS  30           HA       LYS  30 -14.549  -3.855   0.553
  219   1HB   LYS  30          2HB       LYS  30 -14.996  -6.143  -0.984
  220   2HB   LYS  30          1HB       LYS  30 -14.306  -6.762   0.518
  221   1HG   LYS  30          2HG       LYS  30 -15.967  -5.341   1.774
  222   2HG   LYS  30          1HG       LYS  30 -16.726  -4.961   0.228
  223   1HD   LYS  30          2HD       LYS  30 -17.140  -7.349  -0.176
  224   2HD   LYS  30          1HD       LYS  30 -16.350  -7.753   1.349
  225   1HE   LYS  30          2HE       LYS  30 -18.973  -7.524   1.256
  226   2HE   LYS  30          1HE       LYS  30 -18.083  -6.881   2.637
  227   1HZ   LYS  30          2HZ       LYS  30 -18.670  -5.233   0.253
  228   2HZ   LYS  30          1HZ       LYS  30 -19.770  -5.363   1.542
  229   3HZ   LYS  30          3HZ       LYS  30 -18.224  -4.718   1.810
  230    H    ARG  31           H        ARG  31 -13.750  -4.068   2.650
  231    HA   ARG  31           HA       ARG  31 -11.056  -4.037   3.201
  232   1HB   ARG  31          2HB       ARG  31 -12.606  -3.538   4.963
  233   2HB   ARG  31          1HB       ARG  31 -13.310  -5.153   4.882
  234   1HG   ARG  31          2HG       ARG  31 -10.418  -5.224   5.309
  235   2HG   ARG  31          1HG       ARG  31 -11.267  -4.361   6.592
  236   1HD   ARG  31          2HD       ARG  31 -12.576  -6.861   5.729
  237   2HD   ARG  31          1HD       ARG  31 -11.000  -7.084   6.489
  238    HE   ARG  31           HE       ARG  31 -12.515  -5.269   8.082
  239   1HH1  ARG  31          2HH1      ARG  31 -11.138  -8.100   8.551
  240   2HH1  ARG  31          1HH1      ARG  31 -12.457  -8.909   9.329
  241   1HH2  ARG  31          1HH2      ARG  31 -14.797  -6.505   8.450
  242   2HH2  ARG  31          2HH2      ARG  31 -14.529  -8.005   9.271
  243    H    ASP  32           H        ASP  32  -9.443  -5.579   3.648
  244    HA   ASP  32           HA       ASP  32  -8.406  -7.691   3.669
  245   1HB   ASP  32          2HB       ASP  32 -10.618  -8.268   4.942
  246   2HB   ASP  32          1HB       ASP  32 -11.096  -9.013   3.417
  247    H    GLU  33           H        GLU  33  -8.600  -6.320   1.272
  248    HA   GLU  33           HA       GLU  33  -8.804  -8.583  -0.643
  249   1HB   GLU  33          2HB       GLU  33 -10.922  -7.075  -0.603
  250   2HB   GLU  33          1HB       GLU  33  -9.895  -5.875  -1.389
  251   1HG   GLU  33          2HG       GLU  33 -10.540  -6.916  -3.308
  252   2HG   GLU  33          1HG       GLU  33  -9.315  -8.104  -2.862
  253    H    LEU  34           H        LEU  34  -6.604  -8.646  -1.063
  254    HA   LEU  34           HA       LEU  34  -4.729  -6.628  -1.104
  255   1HB   LEU  34          2HB       LEU  34  -4.254  -9.034  -1.564
  256   2HB   LEU  34          1HB       LEU  34  -4.920  -8.826  -3.184
  257    HG   LEU  34           HG       LEU  34  -3.218  -7.145  -3.701
  258   1HD1  LEU  34          3HD1      LEU  34  -2.738  -7.391  -0.776
  259   2HD1  LEU  34          2HD1      LEU  34  -1.308  -7.183  -1.788
  260   3HD1  LEU  34          1HD1      LEU  34  -2.597  -5.980  -1.825
  261   1HD2  LEU  34          2HD2      LEU  34  -2.130  -9.699  -2.478
  262   2HD2  LEU  34          1HD2      LEU  34  -2.601  -9.448  -4.158
  263   3HD2  LEU  34          3HD2      LEU  34  -1.186  -8.621  -3.505
  264    H    ILE  35           H        ILE  35  -4.020  -5.073  -2.636
  265    HA   ILE  35           HA       ILE  35  -5.923  -4.590  -4.895
  266    HB   ILE  35           HB       ILE  35  -4.526  -2.605  -3.081
  267   1HG1  ILE  35          2HG1      ILE  35  -7.444  -3.152  -3.718
  268   2HG1  ILE  35          1HG1      ILE  35  -6.622  -3.552  -2.210
  269   1HG2  ILE  35          3HG2      ILE  35  -4.427  -1.886  -5.459
  270   2HG2  ILE  35          2HG2      ILE  35  -6.176  -2.077  -5.572
  271   3HG2  ILE  35          1HG2      ILE  35  -5.490  -0.855  -4.502
  272   1HD1  ILE  35          3HD1      ILE  35  -6.018  -0.905  -2.420
  273   2HD1  ILE  35          2HD1      ILE  35  -7.605  -0.937  -3.187
  274   3HD1  ILE  35          1HD1      ILE  35  -7.413  -1.522  -1.534
  275    H    VAL  36           H        VAL  36  -2.575  -4.109  -3.752
  276    HA   VAL  36           HA       VAL  36  -1.568  -4.762  -6.419
  277    HB   VAL  36           HB       VAL  36  -2.152  -2.351  -6.645
  278   1HG1  VAL  36          2HG1      VAL  36  -0.151  -2.054  -4.384
  279   2HG1  VAL  36          1HG1      VAL  36  -0.802  -0.717  -5.330
  280   3HG1  VAL  36          3HG1      VAL  36  -1.872  -1.679  -4.311
  281   1HG2  VAL  36          1HG2      VAL  36   0.643  -3.393  -6.791
  282   2HG2  VAL  36          3HG2      VAL  36  -0.405  -2.808  -8.083
  283   3HG2  VAL  36          2HG2      VAL  36   0.412  -1.660  -7.023
  284    H    ASP  37           H        ASP  37   0.523  -5.549  -6.274
  285    HA   ASP  37           HA       ASP  37   1.699  -5.599  -3.542
  286   1HB   ASP  37          2HB       ASP  37   1.890  -7.348  -5.966
  287   2HB   ASP  37          1HB       ASP  37   3.255  -7.315  -4.848
  288    H    ILE  38           H        ILE  38   4.177  -5.498  -3.516
  289    HA   ILE  38           HA       ILE  38   5.221  -3.657  -5.616
  290    HB   ILE  38           HB       ILE  38   5.708  -3.265  -2.651
  291   1HG1  ILE  38          2HG1      ILE  38   4.001  -1.433  -4.306
  292   2HG1  ILE  38          1HG1      ILE  38   3.281  -2.901  -3.645
  293   1HG2  ILE  38          1HG2      ILE  38   6.521  -1.899  -5.185
  294   2HG2  ILE  38          3HG2      ILE  38   6.233  -0.900  -3.762
  295   3HG2  ILE  38          2HG2      ILE  38   7.451  -2.174  -3.711
  296   1HD1  ILE  38          3HD1      ILE  38   4.895  -1.072  -1.882
  297   2HD1  ILE  38          2HD1      ILE  38   3.198  -0.725  -2.212
  298   3HD1  ILE  38          1HD1      ILE  38   3.652  -2.236  -1.423
  299    H    GLU  39           H        GLU  39   7.635  -3.600  -5.613
  300    HA   GLU  39           HA       GLU  39   8.912  -5.894  -4.224
  301   1HB   GLU  39          2HB       GLU  39   8.091  -6.145  -6.842
  302   2HB   GLU  39          1HB       GLU  39   9.763  -5.611  -7.027
  303   1HG   GLU  39          2HG       GLU  39  10.318  -7.411  -5.247
  304   2HG   GLU  39          1HG       GLU  39   8.723  -8.065  -5.618
  305    H    THR  40           H        THR  40  11.361  -5.771  -4.523
  306    HA   THR  40           HA       THR  40  12.451  -3.176  -5.329
  307    HB   THR  40           HB       THR  40  12.756  -3.973  -2.427
  308    HG1  THR  40           HG1      THR  40  11.254  -2.173  -2.134
  309   1HG2  THR  40          1HG2      THR  40  13.649  -1.757  -4.189
  310   2HG2  THR  40          3HG2      THR  40  13.131  -1.302  -2.567
  311   3HG2  THR  40          2HG2      THR  40  14.439  -2.464  -2.780
  312    H    ASP  41           H        ASP  41  14.902  -3.166  -4.796
  313    HA   ASP  41           HA       ASP  41  16.234  -5.254  -5.992
  314   1HB   ASP  41          2HB       ASP  41  17.076  -2.971  -4.874
  315   2HB   ASP  41          1HB       ASP  41  17.582  -4.085  -3.603
  316    H    LYS  42           H        LYS  42  15.340  -5.035  -2.558
  317    HA   LYS  42           HA       LYS  42  15.430  -7.965  -2.367
  318   1HB   LYS  42          2HB       LYS  42  17.463  -6.180  -1.083
  319   2HB   LYS  42          1HB       LYS  42  16.890  -7.581  -0.176
  320   1HG   LYS  42          2HG       LYS  42  17.415  -9.001  -2.194
  321   2HG   LYS  42          1HG       LYS  42  18.172  -7.583  -2.922
  322   1HD   LYS  42          2HD       LYS  42  20.065  -8.178  -1.848
  323   2HD   LYS  42          1HD       LYS  42  19.263  -7.702  -0.351
  324   1HE   LYS  42          2HE       LYS  42  19.334 -10.462  -1.595
  325   2HE   LYS  42          1HE       LYS  42  20.031  -9.965  -0.053
  326   1HZ   LYS  42          3HZ       LYS  42  17.623  -9.293   0.497
  327   2HZ   LYS  42          2HZ       LYS  42  17.200 -10.336  -0.776
  328   3HZ   LYS  42          1HZ       LYS  42  18.050 -10.933   0.569
  329    H    VAL  43           H        VAL  43  13.526  -5.643  -2.036
  330    HA   VAL  43           HA       VAL  43  12.494  -6.484   0.625
  331    HB   VAL  43           HB       VAL  43  12.815  -3.617  -0.309
  332   1HG1  VAL  43          1HG1      VAL  43  10.917  -4.864   1.516
  333   2HG1  VAL  43          3HG1      VAL  43  11.911  -3.661   2.335
  334   3HG1  VAL  43          2HG1      VAL  43  10.966  -3.206   0.918
  335   1HG2  VAL  43          2HG2      VAL  43  14.554  -5.293   1.091
  336   2HG2  VAL  43          1HG2      VAL  43  14.619  -3.531   1.054
  337   3HG2  VAL  43          3HG2      VAL  43  13.759  -4.354   2.355
  338    H    VAL  44           H        VAL  44  10.658  -7.510  -0.088
  339    HA   VAL  44           HA       VAL  44   9.042  -6.237  -2.227
  340    HB   VAL  44           HB       VAL  44   9.411  -8.617  -2.493
  341   1HG1  VAL  44          2HG1      VAL  44   8.571  -8.665   0.390
  342   2HG1  VAL  44          1HG1      VAL  44   8.301 -10.089  -0.614
  343   3HG1  VAL  44          3HG1      VAL  44   9.936  -9.468  -0.385
  344   1HG2  VAL  44          2HG2      VAL  44   6.810  -7.435  -2.150
  345   2HG2  VAL  44          1HG2      VAL  44   7.294  -8.715  -3.263
  346   3HG2  VAL  44          3HG2      VAL  44   6.747  -9.121  -1.636
  347    H    MET  45           H        MET  45   7.014  -5.366  -1.834
  348    HA   MET  45           HA       MET  45   6.014  -5.511   0.981
  349   1HB   MET  45          2HB       MET  45   6.190  -3.103  -0.847
  350   2HB   MET  45          1HB       MET  45   5.200  -3.132   0.613
  351   1HG   MET  45          2HG       MET  45   8.100  -3.917   0.753
  352   2HG   MET  45          1HG       MET  45   7.648  -2.212   0.758
  353   1HE   MET  45          2HE       MET  45   8.298  -5.252   2.480
  354   2HE   MET  45          1HE       MET  45   9.147  -3.925   3.270
  355   3HE   MET  45          3HE       MET  45   7.984  -4.901   4.178
  356    H    GLU  46           H        GLU  46   3.630  -4.166   0.649
  357    HA   GLU  46           HA       GLU  46   2.227  -5.178  -1.717
  358   1HB   GLU  46          2HB       GLU  46   0.685  -6.626  -0.494
  359   2HB   GLU  46          1HB       GLU  46   2.339  -7.180  -0.229
  360   1HG   GLU  46          2HG       GLU  46   2.370  -5.834   1.900
  361   2HG   GLU  46          1HG       GLU  46   0.653  -5.514   1.658
  362    H    VAL  47           H        VAL  47  -0.157  -4.571  -1.564
  363    HA   VAL  47           HA       VAL  47  -0.631  -2.332   0.344
  364    HB   VAL  47           HB       VAL  47  -0.985  -2.218  -2.666
  365   1HG1  VAL  47          1HG1      VAL  47  -1.910  -0.371  -0.454
  366   2HG1  VAL  47          3HG1      VAL  47  -1.760   0.151  -2.131
  367   3HG1  VAL  47          2HG1      VAL  47  -2.892  -1.131  -1.705
  368   1HG2  VAL  47          1HG2      VAL  47   1.017  -1.240  -0.743
  369   2HG2  VAL  47          3HG2      VAL  47   1.145  -1.445  -2.490
  370   3HG2  VAL  47          2HG2      VAL  47   0.405   0.011  -1.825
  371    H    LEU  48           H        LEU  48  -2.308  -3.267   1.469
  372    HA   LEU  48           HA       LEU  48  -4.441  -4.668  -0.046
  373   1HB   LEU  48          2HB       LEU  48  -3.317  -4.893   2.602
  374   2HB   LEU  48          1HB       LEU  48  -5.054  -4.608   2.718
  375    HG   LEU  48           HG       LEU  48  -4.143  -6.575   0.674
  376   1HD1  LEU  48          3HD1      LEU  48  -2.784  -7.086   2.721
  377   2HD1  LEU  48          2HD1      LEU  48  -4.287  -7.251   3.626
  378   3HD1  LEU  48          1HD1      LEU  48  -3.927  -8.363   2.306
  379   1HD2  LEU  48          2HD2      LEU  48  -6.440  -6.352   2.642
  380   2HD2  LEU  48          1HD2      LEU  48  -6.508  -6.113   0.895
  381   3HD2  LEU  48          3HD2      LEU  48  -6.215  -7.723   1.554
  382    H    ALA  49           H        ALA  49  -6.749  -4.162   0.803
  383    HA   ALA  49           HA       ALA  49  -7.136  -1.257   0.558
  384   1HB   ALA  49          3HB       ALA  49  -8.687  -3.631   0.032
  385   2HB   ALA  49          2HB       ALA  49  -9.607  -2.543   1.071
  386   3HB   ALA  49          1HB       ALA  49  -9.000  -1.973  -0.483
  387    H    GLU  50           H        GLU  50  -7.856   0.087   2.204
  388    HA   GLU  50           HA       GLU  50  -7.869  -1.109   4.930
  389   1HB   GLU  50          2HB       GLU  50  -6.879   1.353   3.804
  390   2HB   GLU  50          1HB       GLU  50  -8.051   1.716   5.071
  391   1HG   GLU  50          2HG       GLU  50  -5.733  -0.211   5.395
  392   2HG   GLU  50          1HG       GLU  50  -5.715   1.466   5.939
  393    H    ALA  51           H        ALA  51 -10.102  -0.633   2.661
  394    HA   ALA  51           HA       ALA  51 -12.363  -0.801   4.268
  395   1HB   ALA  51          2HB       ALA  51 -11.219   1.815   4.442
  396   2HB   ALA  51          1HB       ALA  51 -12.748   1.943   3.571
  397   3HB   ALA  51          3HB       ALA  51 -12.707   1.226   5.182
  398    H    ASP  52           H        ASP  52 -14.208  -0.986   2.973
  399    HA   ASP  52           HA       ASP  52 -13.894  -1.373   0.197
  400   1HB   ASP  52          2HB       ASP  52 -15.815  -2.382   0.955
  401   2HB   ASP  52          1HB       ASP  52 -16.224  -1.057   2.041
  402    H    GLY  53           H        GLY  53 -15.191  -0.073  -1.486
  403   1HA   GLY  53          2HA       GLY  53 -16.023   2.499  -1.491
  404   2HA   GLY  53          1HA       GLY  53 -14.281   2.729  -1.304
  405    H    VAL  54           H        VAL  54 -13.957   3.651  -3.365
  406    HA   VAL  54           HA       VAL  54 -14.182   1.705  -5.613
  407    HB   VAL  54           HB       VAL  54 -15.067   4.600  -5.599
  408   1HG1  VAL  54          2HG1      VAL  54 -13.801   3.101  -7.711
  409   2HG1  VAL  54          1HG1      VAL  54 -15.482   3.419  -8.142
  410   3HG1  VAL  54          3HG1      VAL  54 -14.404   4.757  -7.745
  411   1HG2  VAL  54          1HG2      VAL  54 -16.707   2.856  -4.906
  412   2HG2  VAL  54          3HG2      VAL  54 -17.171   3.641  -6.416
  413   3HG2  VAL  54          2HG2      VAL  54 -16.449   2.032  -6.444
  414    H    ILE  55           H        ILE  55 -12.219   1.460  -6.554
  415    HA   ILE  55           HA       ILE  55  -9.919   2.952  -5.775
  416    HB   ILE  55           HB       ILE  55 -10.458   1.184  -8.168
  417   1HG1  ILE  55          2HG1      ILE  55  -9.156   0.871  -5.460
  418   2HG1  ILE  55          1HG1      ILE  55 -10.444  -0.097  -6.174
  419   1HG2  ILE  55          3HG2      ILE  55  -8.685   2.854  -8.684
  420   2HG2  ILE  55          2HG2      ILE  55  -7.817   2.356  -7.231
  421   3HG2  ILE  55          1HG2      ILE  55  -8.035   1.220  -8.562
  422   1HD1  ILE  55          3HD1      ILE  55  -8.568  -0.555  -8.017
  423   2HD1  ILE  55          2HD1      ILE  55  -7.501  -0.202  -6.658
  424   3HD1  ILE  55          1HD1      ILE  55  -8.668  -1.519  -6.542
  425    H    ALA  56           H        ALA  56  -8.623   4.412  -7.144
  426    HA   ALA  56           HA       ALA  56 -10.381   6.238  -8.687
  427   1HB   ALA  56          2HB       ALA  56  -7.624   6.509  -7.482
  428   2HB   ALA  56          1HB       ALA  56  -8.259   7.698  -8.618
  429   3HB   ALA  56          3HB       ALA  56  -9.082   7.416  -7.084
  430    H    GLU  57           H        GLU  57  -6.968   5.235  -9.105
  431    HA   GLU  57           HA       GLU  57  -7.340   3.963 -11.629
  432   1HB   GLU  57          2HB       GLU  57  -7.575   6.780 -11.764
  433   2HB   GLU  57          1HB       GLU  57  -5.989   6.386 -12.427
  434   1HG   GLU  57          2HG       GLU  57  -7.126   5.949 -14.344
  435   2HG   GLU  57          1HG       GLU  57  -7.557   4.434 -13.551
  436    H    ILE  58           H        ILE  58  -5.295   3.301 -12.539
  437    HA   ILE  58           HA       ILE  58  -3.098   3.407 -10.566
  438    HB   ILE  58           HB       ILE  58  -3.257   1.906 -13.198
  439   1HG1  ILE  58          2HG1      ILE  58  -3.626   0.667 -10.482
  440   2HG1  ILE  58          1HG1      ILE  58  -5.000   1.436 -11.281
  441   1HG2  ILE  58          2HG2      ILE  58  -1.444   1.686 -10.779
  442   2HG2  ILE  58          1HG2      ILE  58  -1.498   0.499 -12.082
  443   3HG2  ILE  58          3HG2      ILE  58  -0.975   2.150 -12.414
  444   1HD1  ILE  58          3HD1      ILE  58  -3.264  -0.663 -12.606
  445   2HD1  ILE  58          2HD1      ILE  58  -4.763  -1.038 -11.756
  446   3HD1  ILE  58          1HD1      ILE  58  -4.796  -0.017 -13.193
  447    H    VAL  59           H        VAL  59  -1.117   4.405 -10.961
  448    HA   VAL  59           HA       VAL  59  -1.088   6.341 -13.195
  449    HB   VAL  59           HB       VAL  59   0.879   5.933 -10.921
  450   1HG1  VAL  59          2HG1      VAL  59   0.798   7.681 -13.292
  451   2HG1  VAL  59          1HG1      VAL  59   1.072   8.538 -11.775
  452   3HG1  VAL  59          3HG1      VAL  59   2.162   7.241 -12.264
  453   1HG2  VAL  59          3HG2      VAL  59  -1.576   6.649 -10.425
  454   2HG2  VAL  59          2HG2      VAL  59  -0.272   7.624  -9.748
  455   3HG2  VAL  59          1HG2      VAL  59  -1.123   8.172 -11.192
  456    H    LYS  60           H        LYS  60   1.425   4.194 -11.810
  457    HA   LYS  60           HA       LYS  60   2.594   3.930 -14.519
  458   1HB   LYS  60          2HB       LYS  60   3.707   4.112 -11.977
  459   2HB   LYS  60          1HB       LYS  60   3.879   2.404 -12.382
  460   1HG   LYS  60          2HG       LYS  60   5.408   2.821 -14.008
  461   2HG   LYS  60          1HG       LYS  60   4.528   4.231 -14.599
  462   1HD   LYS  60          2HD       LYS  60   5.570   4.789 -11.972
  463   2HD   LYS  60          1HD       LYS  60   6.874   4.209 -13.010
  464   1HE   LYS  60          2HE       LYS  60   6.961   6.328 -13.804
  465   2HE   LYS  60          1HE       LYS  60   5.485   5.920 -14.679
  466   1HZ   LYS  60          2HZ       LYS  60   4.524   6.521 -12.258
  467   2HZ   LYS  60          1HZ       LYS  60   5.848   7.581 -12.339
  468   3HZ   LYS  60          3HZ       LYS  60   4.645   7.635 -13.533
  469    H    ASN  61           H        ASN  61   3.632   1.454 -14.608
  470    HA   ASN  61           HA       ASN  61   1.223  -0.306 -14.418
  471   1HB   ASN  61          2HB       ASN  61   3.612  -0.396 -16.282
  472   2HB   ASN  61          1HB       ASN  61   2.380  -1.656 -16.203
  473   1HD2  ASN  61          1HD2      ASN  61   3.160   1.372 -17.630
  474   2HD2  ASN  61          2HD2      ASN  61   1.627   1.708 -18.299
  475    H    GLU  62           H        GLU  62   1.600  -2.540 -13.771
  476    HA   GLU  62           HA       GLU  62   3.466  -2.775 -11.582
  477   1HB   GLU  62          2HB       GLU  62   2.759  -5.247 -11.714
  478   2HB   GLU  62          1HB       GLU  62   1.481  -4.071 -11.403
  479   1HG   GLU  62          2HG       GLU  62   0.404  -4.695 -13.274
  480   2HG   GLU  62          1HG       GLU  62   1.838  -4.336 -14.243
  481    H    GLY  63           H        GLY  63   5.309  -4.210 -11.466
  482   1HA   GLY  63          2HA       GLY  63   7.158  -5.401 -12.332
  483   2HA   GLY  63          1HA       GLY  63   6.318  -5.491 -13.886
  484    H    ASP  64           H        ASP  64   6.321  -2.317 -12.779
  485    HA   ASP  64           HA       ASP  64   8.602  -1.685 -14.590
  486   1HB   ASP  64          2HB       ASP  64   6.855  -0.479 -15.470
  487   2HB   ASP  64          1HB       ASP  64   6.027  -0.323 -13.921
  488    H    THR  65           H        THR  65   9.762   0.409 -13.908
  489    HA   THR  65           HA       THR  65  10.475   0.124 -11.031
  490    HB   THR  65           HB       THR  65  11.901   1.478 -13.340
  491    HG1  THR  65           HG1      THR  65  13.233  -0.243 -13.216
  492   1HG2  THR  65          3HG2      THR  65  12.175   2.577 -11.057
  493   2HG2  THR  65          2HG2      THR  65  12.927   1.073 -10.525
  494   3HG2  THR  65          1HG2      THR  65  13.664   2.018 -11.819
  495    H    VAL  66           H        VAL  66   9.880   1.684  -9.599
  496    HA   VAL  66           HA       VAL  66   8.987   4.315 -10.713
  497    HB   VAL  66           HB       VAL  66   7.475   4.370  -8.648
  498   1HG1  VAL  66          3HG1      VAL  66   7.030   3.489 -11.179
  499   2HG1  VAL  66          2HG1      VAL  66   6.592   2.047 -10.265
  500   3HG1  VAL  66          1HG1      VAL  66   5.771   3.574  -9.947
  501   1HG2  VAL  66          3HG2      VAL  66   8.682   2.526  -7.466
  502   2HG2  VAL  66          2HG2      VAL  66   6.953   2.216  -7.620
  503   3HG2  VAL  66          1HG2      VAL  66   8.094   1.398  -8.688
  504    H    LEU  67           H        LEU  67   8.752   5.757  -8.403
  505    HA   LEU  67           HA       LEU  67  11.450   5.541  -7.130
  506   1HB   LEU  67          2HB       LEU  67  10.476   7.623  -8.804
  507   2HB   LEU  67          1HB       LEU  67  10.534   8.264  -7.161
  508    HG   LEU  67           HG       LEU  67  12.862   7.617  -6.930
  509   1HD1  LEU  67          3HD1      LEU  67  12.250   6.115  -9.436
  510   2HD1  LEU  67          2HD1      LEU  67  13.878   6.768  -9.259
  511   3HD1  LEU  67          1HD1      LEU  67  13.244   5.642  -8.058
  512   1HD2  LEU  67          2HD2      LEU  67  12.319   8.970  -9.592
  513   2HD2  LEU  67          1HD2      LEU  67  12.447   9.771  -8.026
  514   3HD2  LEU  67          3HD2      LEU  67  13.864   9.003  -8.742
  515    H    SER  68           H        SER  68  11.511   6.751  -4.994
  516    HA   SER  68           HA       SER  68   9.404   5.863  -3.285
  517   1HB   SER  68          2HB       SER  68  11.432   6.226  -2.172
  518   2HB   SER  68          1HB       SER  68  11.708   7.772  -2.972
  519    HG   SER  68           HG       SER  68   9.449   7.457  -1.343
  520    H    GLY  69           H        GLY  69   7.563   6.896  -2.541
  521   1HA   GLY  69          2HA       GLY  69   5.955   8.605  -2.289
  522   2HA   GLY  69          1HA       GLY  69   7.148   9.756  -2.893
  523    H    GLU  70           H        GLU  70   6.729   7.001  -4.876
  524    HA   GLU  70           HA       GLU  70   5.609   8.655  -7.009
  525   1HB   GLU  70          2HB       GLU  70   7.298   6.866  -7.436
  526   2HB   GLU  70          1HB       GLU  70   6.103   5.662  -6.953
  527   1HG   GLU  70          2HG       GLU  70   6.235   5.999  -9.439
  528   2HG   GLU  70          1HG       GLU  70   4.632   6.309  -8.770
  529    H    LEU  71           H        LEU  71   3.455   9.048  -7.122
  530    HA   LEU  71           HA       LEU  71   1.501   7.576  -5.612
  531   1HB   LEU  71          2HB       LEU  71   1.290   9.971  -6.452
  532   2HB   LEU  71          1HB       LEU  71   0.954   9.294  -8.046
  533    HG   LEU  71           HG       LEU  71  -0.835   7.865  -6.775
  534   1HD1  LEU  71          3HD1      LEU  71  -0.347  10.183  -4.882
  535   2HD1  LEU  71          2HD1      LEU  71  -1.788   9.167  -4.844
  536   3HD1  LEU  71          1HD1      LEU  71  -0.205   8.465  -4.512
  537   1HD2  LEU  71          2HD2      LEU  71  -0.850  10.432  -8.055
  538   2HD2  LEU  71          1HD2      LEU  71  -2.142   9.233  -7.999
  539   3HD2  LEU  71          3HD2      LEU  71  -2.024  10.460  -6.738
  540    H    LEU  72           H        LEU  72   0.879   5.527  -6.079
  541    HA   LEU  72           HA       LEU  72   1.053   4.583  -8.894
  542   1HB   LEU  72          2HB       LEU  72   0.381   2.896  -6.479
  543   2HB   LEU  72          1HB       LEU  72   1.050   2.373  -8.025
  544    HG   LEU  72           HG       LEU  72   2.452   4.075  -5.944
  545   1HD1  LEU  72          2HD1      LEU  72   2.203   1.262  -6.281
  546   2HD1  LEU  72          1HD1      LEU  72   3.845   1.697  -6.757
  547   3HD1  LEU  72          3HD1      LEU  72   3.249   2.125  -5.154
  548   1HD2  LEU  72          1HD2      LEU  72   3.375   3.101  -8.669
  549   2HD2  LEU  72          3HD2      LEU  72   3.046   4.777  -8.227
  550   3HD2  LEU  72          2HD2      LEU  72   4.395   3.918  -7.485
  551    H    GLY  73           H        GLY  73  -1.224   5.743  -6.651
  552   1HA   GLY  73          2HA       GLY  73  -3.429   5.761  -8.325
  553   2HA   GLY  73          1HA       GLY  73  -3.501   4.170  -7.557
  554    H    LYS  74           H        LYS  74  -5.565   5.878  -7.035
  555    HA   LYS  74           HA       LYS  74  -5.035   6.640  -4.196
  556   1HB   LYS  74          2HB       LYS  74  -6.476   8.227  -6.328
  557   2HB   LYS  74          1HB       LYS  74  -6.739   8.519  -4.608
  558   1HG   LYS  74          2HG       LYS  74  -4.481   9.157  -4.257
  559   2HG   LYS  74          1HG       LYS  74  -3.964   8.470  -5.797
  560   1HD   LYS  74          2HD       LYS  74  -5.783  10.872  -5.449
  561   2HD   LYS  74          1HD       LYS  74  -4.094  10.921  -5.954
  562   1HE   LYS  74          2HE       LYS  74  -4.928   9.228  -7.807
  563   2HE   LYS  74          1HE       LYS  74  -6.496   9.960  -7.467
  564   1HZ   LYS  74          3HZ       LYS  74  -4.180  11.712  -7.871
  565   2HZ   LYS  74          2HZ       LYS  74  -4.898  10.992  -9.232
  566   3HZ   LYS  74          1HZ       LYS  74  -5.817  11.993  -8.212
  567    H    LEU  75           H        LEU  75  -6.647   6.007  -2.773
  568    HA   LEU  75           HA       LEU  75  -8.838   4.374  -3.947
  569   1HB   LEU  75          2HB       LEU  75  -7.286   3.476  -2.122
  570   2HB   LEU  75          1HB       LEU  75  -8.092   4.598  -1.024
  571    HG   LEU  75           HG       LEU  75 -10.295   3.546  -1.895
  572   1HD1  LEU  75          3HD1      LEU  75  -8.906   2.338  -3.741
  573   2HD1  LEU  75          2HD1      LEU  75  -8.510   1.186  -2.465
  574   3HD1  LEU  75          1HD1      LEU  75 -10.191   1.439  -2.935
  575   1HD2  LEU  75          3HD2      LEU  75  -8.794   3.100   0.312
  576   2HD2  LEU  75          2HD2      LEU  75 -10.308   2.250   0.000
  577   3HD2  LEU  75          1HD2      LEU  75  -8.768   1.482  -0.391
  578    H    THR  76           H        THR  76 -10.975   4.966  -3.718
  579    HA   THR  76           HA       THR  76 -11.483   7.553  -2.309
  580    HB   THR  76           HB       THR  76 -13.240   6.259  -4.408
  581    HG1  THR  76           HG1      THR  76 -12.184   7.539  -5.887
  582   1HG2  THR  76          2HG2      THR  76 -13.106   8.903  -3.000
  583   2HG2  THR  76          1HG2      THR  76 -13.750   8.834  -4.640
  584   3HG2  THR  76          3HG2      THR  76 -14.510   7.896  -3.355
  585    H    GLU  77           H        GLU  77 -13.863   7.661  -1.492
  586    HA   GLU  77           HA       GLU  77 -14.260   5.352   0.274
  587   1HB   GLU  77          2HB       GLU  77 -15.545   8.062  -0.012
  588   2HB   GLU  77          1HB       GLU  77 -16.295   6.817   0.988
  589   1HG   GLU  77          2HG       GLU  77 -13.457   6.958   1.534
  590   2HG   GLU  77          1HG       GLU  77 -14.196   8.548   1.729
  591    H    GLY  78           H        GLY  78 -16.960   5.094   0.518
  592   1HA   GLY  78          2HA       GLY  78 -18.564   5.032  -1.782
  593   2HA   GLY  78          1HA       GLY  78 -17.657   3.519  -1.794
  594    H    GLY  79           HN       GLY  79 -20.511   3.712  -1.458
  595   1HA   GLY  79          2HA       GLY  79 -20.857   2.992   1.417
  596   2HA   GLY  79          1HA       GLY  79 -22.167   3.458   0.332
   
  No H/Q in entry =         596
  Start of MODEL   20
    1   1H    ALA   1          3H        ALA   1 -10.853   6.979   2.128
    2   2H    ALA   1          2H        ALA   1 -12.307   7.701   1.627
    3   3H    ALA   1          1H        ALA   1 -11.422   6.729   0.550
    4    HA   ALA   1           HA       ALA   1 -10.640   8.673  -0.212
    5   1HB   ALA   1          2HB       ALA   1 -12.235   9.657   1.785
    6   2HB   ALA   1          1HB       ALA   1 -10.642  10.194   2.319
    7   3HB   ALA   1          3HB       ALA   1 -11.241  10.658   0.726
    8    H    ILE   2           H        ILE   2  -8.667   7.363  -0.237
    9    HA   ILE   2           HA       ILE   2  -6.585   8.532   1.507
   10    HB   ILE   2           HB       ILE   2  -5.689   6.297   2.097
   11   1HG1  ILE   2          2HG1      ILE   2  -7.805   4.559   1.737
   12   2HG1  ILE   2          1HG1      ILE   2  -7.820   5.489   0.239
   13   1HG2  ILE   2          1HG2      ILE   2  -7.438   7.587   3.495
   14   2HG2  ILE   2          3HG2      ILE   2  -8.597   6.397   2.901
   15   3HG2  ILE   2          2HG2      ILE   2  -7.213   5.876   3.861
   16   1HD1  ILE   2          1HD1      ILE   2  -5.116   4.734   1.068
   17   2HD1  ILE   2          3HD1      ILE   2  -6.155   3.338   0.780
   18   3HD1  ILE   2          2HD1      ILE   2  -5.907   4.531  -0.494
   19    H    ASP   3           H        ASP   3  -4.984   9.127   0.136
   20    HA   ASP   3           HA       ASP   3  -4.861   8.103  -2.581
   21   1HB   ASP   3          2HB       ASP   3  -4.201  10.451  -1.795
   22   2HB   ASP   3          1HB       ASP   3  -2.717   9.714  -1.180
   23    H    ILE   4           H        ILE   4  -2.748   7.197  -3.456
   24    HA   ILE   4           HA       ILE   4  -1.401   5.461  -1.429
   25    HB   ILE   4           HB       ILE   4  -2.191   4.614  -4.232
   26   1HG1  ILE   4          2HG1      ILE   4  -3.382   3.738  -1.584
   27   2HG1  ILE   4          1HG1      ILE   4  -4.122   4.948  -2.633
   28   1HG2  ILE   4          1HG2      ILE   4  -0.142   3.637  -2.835
   29   2HG2  ILE   4          3HG2      ILE   4  -1.429   2.743  -2.026
   30   3HG2  ILE   4          2HG2      ILE   4  -1.199   2.576  -3.766
   31   1HD1  ILE   4          3HD1      ILE   4  -3.487   2.755  -4.299
   32   2HD1  ILE   4          2HD1      ILE   4  -4.219   2.072  -2.848
   33   3HD1  ILE   4          1HD1      ILE   4  -5.092   3.280  -3.791
   34    H    LYS   5           H        LYS   5   0.732   5.959  -1.423
   35    HA   LYS   5           HA       LYS   5   2.057   6.509  -4.036
   36   1HB   LYS   5          2HB       LYS   5   3.366   8.332  -2.943
   37   2HB   LYS   5          1HB       LYS   5   1.642   8.695  -3.024
   38   1HG   LYS   5          2HG       LYS   5   1.333   8.038  -0.710
   39   2HG   LYS   5          1HG       LYS   5   3.003   7.476  -0.606
   40   1HD   LYS   5          2HD       LYS   5   3.604   9.544   0.047
   41   2HD   LYS   5          1HD       LYS   5   3.139  10.134  -1.549
   42   1HE   LYS   5          2HE       LYS   5   1.868  11.422   0.010
   43   2HE   LYS   5          1HE       LYS   5   0.745  10.240  -0.663
   44   1HZ   LYS   5          3HZ       LYS   5   2.259   9.616   1.784
   45   2HZ   LYS   5          2HZ       LYS   5   0.854  10.566   1.875
   46   3HZ   LYS   5          1HZ       LYS   5   0.776   8.987   1.253
   47    H    ALA   6           H        ALA   6   4.483   6.296  -3.820
   48    HA   ALA   6           HA       ALA   6   5.121   3.863  -2.381
   49   1HB   ALA   6          1HB       ALA   6   6.148   4.910  -4.597
   50   2HB   ALA   6          3HB       ALA   6   7.261   5.663  -3.454
   51   3HB   ALA   6          2HB       ALA   6   7.134   3.906  -3.533
   52    HA   PRO   7           HA       PRO   7   6.493   5.653   1.391
   53   1HB   PRO   7          2HB       PRO   7   8.112   3.595   2.231
   54   2HB   PRO   7          1HB       PRO   7   6.341   3.532   2.284
   55   1HG   PRO   7          2HG       PRO   7   8.212   2.169   0.403
   56   2HG   PRO   7          1HG       PRO   7   6.584   1.691   0.909
   57   1HD   PRO   7          2HD       PRO   7   7.261   2.923  -1.548
   58   2HD   PRO   7          1HD       PRO   7   5.619   2.741  -0.887
   59    H    THR   8           H        THR   8   8.572   6.266   2.533
   60    HA   THR   8           HA       THR   8  10.503   7.302   0.621
   61    HB   THR   8           HB       THR   8  11.179   7.268   3.514
   62    HG1  THR   8           HG1      THR   8   9.173   7.747   3.965
   63   1HG2  THR   8          1HG2      THR   8  11.495   8.960   1.135
   64   2HG2  THR   8          3HG2      THR   8  11.100   9.864   2.596
   65   3HG2  THR   8          2HG2      THR   8  12.523   8.821   2.561
   66    H    PHE   9           H        PHE   9  11.557   5.538  -0.358
   67    HA   PHE   9           HA       PHE   9  12.492   3.192   0.842
   68   1HB   PHE   9          2HB       PHE   9  13.930   4.799  -1.294
   69   2HB   PHE   9          1HB       PHE   9  14.142   3.075  -0.966
   70    HD1  PHE   9           HD2      PHE   9  11.325   2.262  -0.443
   71    HD2  PHE   9           HD1      PHE   9  12.978   4.834  -3.464
   72    HE1  PHE   9           HE2      PHE   9   9.411   1.742  -1.934
   73    HE2  PHE   9           HE1      PHE   9  11.064   4.314  -4.954
   74    HZ   PHE   9           HZ       PHE   9   9.280   2.767  -4.189
   75    HA   PRO  10           HA       PRO  10  15.695   4.502   3.549
   76   1HB   PRO  10          2HB       PRO  10  17.082   2.133   3.693
   77   2HB   PRO  10          1HB       PRO  10  15.537   2.414   4.514
   78   1HG   PRO  10          2HG       PRO  10  16.095   0.800   2.070
   79   2HG   PRO  10          1HG       PRO  10  14.791   0.625   3.256
   80   1HD   PRO  10          2HD       PRO  10  14.557   1.812   0.696
   81   2HD   PRO  10          1HD       PRO  10  13.367   1.923   2.013
   82    H    GLU  11           H        GLU  11  18.246   4.288   3.670
   83    HA   GLU  11           HA       GLU  11  19.333   5.422   1.266
   84   1HB   GLU  11          2HB       GLU  11  20.269   5.902   3.498
   85   2HB   GLU  11          1HB       GLU  11  20.769   4.218   3.653
   86   1HG   GLU  11          2HG       GLU  11  22.079   4.563   1.477
   87   2HG   GLU  11          1HG       GLU  11  21.796   6.289   1.705
   88    H    SER  12           H        SER  12  19.940   2.249   2.819
   89    HA   SER  12           HA       SER  12  21.635   1.081   0.994
   90   1HB   SER  12          2HB       SER  12  20.662  -0.032   3.032
   91   2HB   SER  12          1HB       SER  12  19.186  -0.317   2.107
   92    HG   SER  12           HG       SER  12  20.158  -1.892   1.111
   93    H    ILE  13           H        ILE  13  18.086   1.304   0.657
   94    HA   ILE  13           HA       ILE  13  18.313   0.307  -2.126
   95    HB   ILE  13           HB       ILE  13  15.781   1.144  -0.703
   96   1HG1  ILE  13          2HG1      ILE  13  16.803  -0.446   0.783
   97   2HG1  ILE  13          1HG1      ILE  13  15.596  -1.334  -0.148
   98   1HG2  ILE  13          2HG2      ILE  13  16.431   0.103  -3.284
   99   2HG2  ILE  13          1HG2      ILE  13  15.548  -1.143  -2.401
  100   3HG2  ILE  13          3HG2      ILE  13  14.834   0.454  -2.622
  101   1HD1  ILE  13          2HD1      ILE  13  17.735  -1.624  -1.780
  102   2HD1  ILE  13          1HD1      ILE  13  18.557  -1.525  -0.222
  103   3HD1  ILE  13          3HD1      ILE  13  17.341  -2.772  -0.499
  104    H    ALA  14           H        ALA  14  17.540   1.576  -3.914
  105    HA   ALA  14           HA       ALA  14  17.362   4.505  -3.324
  106   1HB   ALA  14          2HB       ALA  14  19.367   3.275  -4.742
  107   2HB   ALA  14          1HB       ALA  14  18.249   3.731  -6.027
  108   3HB   ALA  14          3HB       ALA  14  18.893   4.962  -4.941
  109    H    ASP  15           H        ASP  15  15.566   1.923  -4.242
  110    HA   ASP  15           HA       ASP  15  13.308   3.324  -5.080
  111   1HB   ASP  15          2HB       ASP  15  13.502   2.680  -7.630
  112   2HB   ASP  15          1HB       ASP  15  14.225   4.179  -7.046
  113    H    GLY  16           H        GLY  16  12.088   1.681  -6.904
  114   1HA   GLY  16          2HA       GLY  16  12.663  -1.127  -6.331
  115   2HA   GLY  16          1HA       GLY  16  11.210  -0.528  -5.527
  116    H    THR  17           H        THR  17  10.028  -2.082  -6.903
  117    HA   THR  17           HA       THR  17   9.258  -0.812  -9.462
  118    HB   THR  17           HB       THR  17   9.637  -3.746  -9.650
  119    HG1  THR  17           HG1      THR  17  11.544  -3.158  -8.609
  120   1HG2  THR  17          1HG2      THR  17  10.067  -1.326 -11.403
  121   2HG2  THR  17          3HG2      THR  17  10.594  -2.938 -11.890
  122   3HG2  THR  17          2HG2      THR  17   8.884  -2.620 -11.598
  123    H    VAL  18           H        VAL  18   7.284  -2.075 -10.374
  124    HA   VAL  18           HA       VAL  18   5.464  -2.553  -8.110
  125    HB   VAL  18           HB       VAL  18   4.772  -2.805 -11.042
  126   1HG1  VAL  18          2HG1      VAL  18   3.342  -2.587  -8.460
  127   2HG1  VAL  18          1HG1      VAL  18   2.691  -1.594  -9.763
  128   3HG1  VAL  18          3HG1      VAL  18   2.830  -3.340  -9.971
  129   1HG2  VAL  18          1HG2      VAL  18   4.895  -0.276  -9.366
  130   2HG2  VAL  18          3HG2      VAL  18   5.965  -0.667 -10.712
  131   3HG2  VAL  18          2HG2      VAL  18   4.249  -0.389 -11.003
  132    H    ALA  19           H        ALA  19   3.895  -4.499  -8.407
  133    HA   ALA  19           HA       ALA  19   5.513  -6.879  -9.229
  134   1HB   ALA  19          1HB       ALA  19   4.669  -6.306  -6.687
  135   2HB   ALA  19          3HB       ALA  19   3.344  -7.309  -7.275
  136   3HB   ALA  19          2HB       ALA  19   4.992  -7.934  -7.281
  137    H    THR  20           H        THR  20   2.079  -6.439  -8.338
  138    HA   THR  20           HA       THR  20   1.204  -6.902 -11.091
  139    HB   THR  20           HB       THR  20   0.778  -9.031  -8.973
  140    HG1  THR  20           HG1      THR  20   2.044 -10.254 -10.266
  141   1HG2  THR  20          1HG2      THR  20  -1.104  -8.330 -10.736
  142   2HG2  THR  20          3HG2      THR  20  -0.124  -9.338 -11.799
  143   3HG2  THR  20          2HG2      THR  20  -0.806 -10.019 -10.323
  144    H    TRP  21           H        TRP  21  -0.778  -5.941 -11.343
  145    HA   TRP  21           HA       TRP  21  -2.110  -4.886  -8.940
  146   1HB   TRP  21          2HB       TRP  21  -2.163  -4.354 -11.875
  147   2HB   TRP  21          1HB       TRP  21  -3.617  -3.983 -10.953
  148    HD1  TRP  21           HD1      TRP  21  -0.101  -2.809 -11.583
  149    HE1  TRP  21           HE1      TRP  21   0.334  -0.638 -10.250
  150    HE3  TRP  21           HE3      TRP  21  -4.283  -2.700  -8.649
  151    HZ2  TRP  21           HZ2      TRP  21  -0.900   0.917  -8.242
  152    HZ3  TRP  21           HZ3      TRP  21  -4.628  -0.853  -7.027
  153    HH2  TRP  21           HH2      TRP  21  -2.941   0.958  -6.818
  154    H    HIS  22           H        HIS  22  -2.875  -7.006  -8.189
  155    HA   HIS  22           HA       HIS  22  -4.376  -8.910  -9.537
  156   1HB   HIS  22          2HB       HIS  22  -5.568  -7.977  -6.957
  157   2HB   HIS  22          1HB       HIS  22  -5.205  -9.618  -7.498
  158    HD1  HIS  22           HD1      HIS  22  -3.544  -6.536  -6.102
  159    HD2  HIS  22           HD2      HIS  22  -2.632 -10.540  -6.808
  160    HE1  HIS  22           HE1      HIS  22  -1.270  -6.933  -5.102
  161    H    LYS  23           H        LYS  23  -5.831  -6.014  -7.999
  162    HA   LYS  23           HA       LYS  23  -8.180  -6.377  -9.796
  163   1HB   LYS  23          2HB       LYS  23  -7.867  -5.565  -7.061
  164   2HB   LYS  23          1HB       LYS  23  -8.591  -4.236  -7.966
  165   1HG   LYS  23          2HG       LYS  23 -10.326  -5.762  -7.093
  166   2HG   LYS  23          1HG       LYS  23 -10.304  -5.769  -8.857
  167   1HD   LYS  23          2HD       LYS  23  -8.537  -7.755  -8.388
  168   2HD   LYS  23          1HD       LYS  23  -9.542  -7.914  -6.946
  169   1HE   LYS  23          2HE       LYS  23 -10.816  -7.650  -9.661
  170   2HE   LYS  23          1HE       LYS  23 -10.235  -9.217  -9.098
  171   1HZ   LYS  23          3HZ       LYS  23 -11.568  -8.377  -6.954
  172   2HZ   LYS  23          2HZ       LYS  23 -12.484  -7.632  -8.178
  173   3HZ   LYS  23          1HZ       LYS  23 -12.268  -9.318  -8.180
  174    H    LYS  24           H        LYS  24  -9.104  -4.339 -10.729
  175    HA   LYS  24           HA       LYS  24  -6.908  -2.449 -11.482
  176   1HB   LYS  24          2HB       LYS  24  -9.379  -2.702 -13.147
  177   2HB   LYS  24          1HB       LYS  24  -7.719  -2.379 -13.647
  178   1HG   LYS  24          2HG       LYS  24  -7.230  -4.803 -12.872
  179   2HG   LYS  24          1HG       LYS  24  -8.979  -5.021 -12.929
  180   1HD   LYS  24          2HD       LYS  24  -8.920  -4.143 -15.300
  181   2HD   LYS  24          1HD       LYS  24  -7.159  -4.211 -15.211
  182   1HE   LYS  24          2HE       LYS  24  -7.230  -6.610 -14.783
  183   2HE   LYS  24          1HE       LYS  24  -8.993  -6.578 -14.729
  184   1HZ   LYS  24          1HZ       LYS  24  -8.560  -5.451 -17.090
  185   2HZ   LYS  24          3HZ       LYS  24  -7.202  -6.465 -17.014
  186   3HZ   LYS  24          2HZ       LYS  24  -8.762  -7.126 -16.884
  187    HA   PRO  25           HA       PRO  25  -9.315   0.864  -9.909
  188   1HB   PRO  25          2HB       PRO  25  -8.781   2.842 -11.745
  189   2HB   PRO  25          1HB       PRO  25  -7.613   2.288 -10.532
  190   1HG   PRO  25          2HG       PRO  25  -7.689   1.726 -13.462
  191   2HG   PRO  25          1HG       PRO  25  -6.299   1.776 -12.365
  192   1HD   PRO  25          2HD       PRO  25  -7.562  -0.564 -13.313
  193   2HD   PRO  25          1HD       PRO  25  -6.428  -0.478 -11.949
  194    H    GLY  26           H        GLY  26 -11.518   0.362 -10.118
  195   1HA   GLY  26          2HA       GLY  26 -13.371   1.725 -11.457
  196   2HA   GLY  26          1HA       GLY  26 -12.809   0.684 -12.770
  197    H    GLU  27           H        GLU  27 -12.286  -1.325 -10.389
  198    HA   GLU  27           HA       GLU  27 -14.987  -2.542 -10.598
  199   1HB   GLU  27          2HB       GLU  27 -12.348  -3.674  -9.615
  200   2HB   GLU  27          1HB       GLU  27 -13.858  -4.580  -9.722
  201   1HG   GLU  27          2HG       GLU  27 -12.875  -3.132 -12.154
  202   2HG   GLU  27          1HG       GLU  27 -12.111  -4.658 -11.709
  203    H    ALA  28           H        ALA  28 -15.202  -4.029  -8.350
  204    HA   ALA  28           HA       ALA  28 -15.459  -1.945  -6.249
  205   1HB   ALA  28          1HB       ALA  28 -17.441  -3.350  -6.877
  206   2HB   ALA  28          3HB       ALA  28 -16.569  -4.767  -6.290
  207   3HB   ALA  28          2HB       ALA  28 -17.010  -3.477  -5.172
  208    H    VAL  29           H        VAL  29 -14.886  -2.583  -3.991
  209    HA   VAL  29           HA       VAL  29 -12.777  -4.682  -3.848
  210    HB   VAL  29           HB       VAL  29 -12.465  -1.887  -2.714
  211   1HG1  VAL  29          3HG1      VAL  29 -11.342  -3.821  -1.524
  212   2HG1  VAL  29          2HG1      VAL  29 -10.435  -4.118  -3.008
  213   3HG1  VAL  29          1HG1      VAL  29 -10.233  -2.596  -2.141
  214   1HG2  VAL  29          2HG2      VAL  29 -12.370  -2.162  -5.278
  215   2HG2  VAL  29          1HG2      VAL  29 -10.976  -1.410  -4.503
  216   3HG2  VAL  29          3HG2      VAL  29 -10.903  -3.100  -5.000
  217    H    LYS  30           H        LYS  30 -12.464  -5.505  -1.681
  218    HA   LYS  30           HA       LYS  30 -14.615  -4.704   0.239
  219   1HB   LYS  30          2HB       LYS  30 -14.561  -7.098  -1.093
  220   2HB   LYS  30          1HB       LYS  30 -13.681  -7.501   0.381
  221   1HG   LYS  30          2HG       LYS  30 -15.659  -7.668   1.441
  222   2HG   LYS  30          1HG       LYS  30 -15.869  -5.932   1.212
  223   1HD   LYS  30          2HD       LYS  30 -17.287  -6.196  -0.573
  224   2HD   LYS  30          1HD       LYS  30 -16.487  -7.667  -1.124
  225   1HE   LYS  30          2HE       LYS  30 -17.454  -8.783   0.981
  226   2HE   LYS  30          1HE       LYS  30 -18.489  -7.361   1.117
  227   1HZ   LYS  30          2HZ       LYS  30 -19.286  -7.782  -1.132
  228   2HZ   LYS  30          1HZ       LYS  30 -18.314  -9.172  -1.231
  229   3HZ   LYS  30          3HZ       LYS  30 -19.589  -9.109  -0.115
  230    H    ARG  31           H        ARG  31 -13.931  -4.429   2.346
  231    HA   ARG  31           HA       ARG  31 -11.329  -3.858   3.038
  232   1HB   ARG  31          2HB       ARG  31 -13.257  -3.475   4.537
  233   2HB   ARG  31          1HB       ARG  31 -13.361  -5.210   4.839
  234   1HG   ARG  31          2HG       ARG  31 -10.757  -4.824   5.425
  235   2HG   ARG  31          1HG       ARG  31 -11.383  -3.229   5.843
  236   1HD   ARG  31          2HD       ARG  31 -13.006  -5.515   6.798
  237   2HD   ARG  31          1HD       ARG  31 -11.418  -5.350   7.549
  238    HE   ARG  31           HE       ARG  31 -12.140  -3.309   8.542
  239   1HH1  ARG  31          1HH2      ARG  31 -14.759  -5.084   7.666
  240   2HH1  ARG  31          2HH2      ARG  31 -15.854  -3.758   7.457
  241   1HH2  ARG  31          2HH1      ARG  31 -13.377  -1.338   7.646
  242   2HH2  ARG  31          1HH1      ARG  31 -15.072  -1.637   7.445
  243    H    ASP  32           H        ASP  32  -9.546  -5.029   3.855
  244    HA   ASP  32           HA       ASP  32  -8.165  -6.901   4.188
  245   1HB   ASP  32          2HB       ASP  32 -10.371  -7.601   5.482
  246   2HB   ASP  32          1HB       ASP  32 -10.535  -8.734   4.139
  247    H    GLU  33           H        GLU  33  -8.770  -5.986   1.540
  248    HA   GLU  33           HA       GLU  33  -8.545  -8.576   0.062
  249   1HB   GLU  33          2HB       GLU  33 -10.705  -7.680  -0.501
  250   2HB   GLU  33          1HB       GLU  33 -10.038  -6.063  -0.733
  251   1HG   GLU  33          2HG       GLU  33 -10.352  -7.040  -2.920
  252   2HG   GLU  33          1HG       GLU  33  -8.618  -7.008  -2.595
  253    H    LEU  34           H        LEU  34  -6.498  -8.701  -0.717
  254    HA   LEU  34           HA       LEU  34  -4.535  -6.773  -0.760
  255   1HB   LEU  34          2HB       LEU  34  -4.201  -9.170  -1.368
  256   2HB   LEU  34          1HB       LEU  34  -4.941  -8.844  -2.936
  257    HG   LEU  34           HG       LEU  34  -3.190  -7.210  -3.454
  258   1HD1  LEU  34          2HD1      LEU  34  -2.770  -7.381  -0.600
  259   2HD1  LEU  34          1HD1      LEU  34  -1.262  -7.715  -1.451
  260   3HD1  LEU  34          3HD1      LEU  34  -2.124  -6.205  -1.744
  261   1HD2  LEU  34          3HD2      LEU  34  -2.107  -9.852  -2.423
  262   2HD2  LEU  34          2HD2      LEU  34  -2.752  -9.551  -4.036
  263   3HD2  LEU  34          1HD2      LEU  34  -1.252  -8.776  -3.528
  264    H    ILE  35           H        ILE  35  -3.626  -5.500  -2.613
  265    HA   ILE  35           HA       ILE  35  -5.711  -4.669  -4.578
  266    HB   ILE  35           HB       ILE  35  -4.043  -2.853  -2.815
  267   1HG1  ILE  35          2HG1      ILE  35  -6.149  -3.739  -1.839
  268   2HG1  ILE  35          1HG1      ILE  35  -6.246  -2.001  -2.124
  269   1HG2  ILE  35          2HG2      ILE  35  -5.450  -2.391  -5.414
  270   2HG2  ILE  35          1HG2      ILE  35  -5.530  -1.124  -4.190
  271   3HG2  ILE  35          3HG2      ILE  35  -3.966  -1.665  -4.799
  272   1HD1  ILE  35          1HD1      ILE  35  -7.083  -3.228  -4.526
  273   2HD1  ILE  35          3HD1      ILE  35  -7.888  -4.105  -3.224
  274   3HD1  ILE  35          2HD1      ILE  35  -8.088  -2.358  -3.366
  275    H    VAL  36           H        VAL  36  -2.269  -4.357  -3.652
  276    HA   VAL  36           HA       VAL  36  -1.464  -5.072  -6.372
  277    HB   VAL  36           HB       VAL  36  -1.975  -2.647  -6.597
  278   1HG1  VAL  36          1HG1      VAL  36   0.178  -2.375  -4.477
  279   2HG1  VAL  36          3HG1      VAL  36  -0.523  -1.036  -5.384
  280   3HG1  VAL  36          2HG1      VAL  36  -1.528  -1.976  -4.280
  281   1HG2  VAL  36          2HG2      VAL  36  -0.089  -3.799  -7.848
  282   2HG2  VAL  36          1HG2      VAL  36   0.099  -2.054  -7.671
  283   3HG2  VAL  36          3HG2      VAL  36   1.014  -3.150  -6.635
  284    H    ASP  37           H        ASP  37   0.468  -6.129  -6.243
  285    HA   ASP  37           HA       ASP  37   1.859  -6.137  -3.634
  286   1HB   ASP  37          2HB       ASP  37   1.836  -7.881  -6.062
  287   2HB   ASP  37          1HB       ASP  37   3.289  -7.882  -5.062
  288    H    ILE  38           H        ILE  38   4.114  -5.638  -3.442
  289    HA   ILE  38           HA       ILE  38   5.188  -4.007  -5.711
  290    HB   ILE  38           HB       ILE  38   5.694  -3.620  -2.744
  291   1HG1  ILE  38          2HG1      ILE  38   4.011  -2.000  -4.685
  292   2HG1  ILE  38          1HG1      ILE  38   3.373  -3.047  -3.415
  293   1HG2  ILE  38          3HG2      ILE  38   6.856  -2.517  -5.223
  294   2HG2  ILE  38          2HG2      ILE  38   6.380  -1.303  -4.036
  295   3HG2  ILE  38          1HG2      ILE  38   7.525  -2.569  -3.593
  296   1HD1  ILE  38          2HD1      ILE  38   5.309  -1.324  -2.224
  297   2HD1  ILE  38          1HD1      ILE  38   4.230  -0.325  -3.197
  298   3HD1  ILE  38          3HD1      ILE  38   3.570  -1.367  -1.935
  299    H    GLU  39           H        GLU  39   7.527  -4.095  -5.979
  300    HA   GLU  39           HA       GLU  39   8.792  -6.462  -4.661
  301   1HB   GLU  39          2HB       GLU  39   9.800  -7.118  -6.743
  302   2HB   GLU  39          1HB       GLU  39   8.081  -6.882  -7.062
  303   1HG   GLU  39          2HG       GLU  39   8.484  -4.705  -8.019
  304   2HG   GLU  39          1HG       GLU  39  10.173  -4.739  -7.514
  305    H    THR  40           H        THR  40  11.123  -6.295  -4.441
  306    HA   THR  40           HA       THR  40  12.283  -3.613  -4.990
  307    HB   THR  40           HB       THR  40  12.964  -4.780  -2.350
  308    HG1  THR  40           HG1      THR  40  10.428  -3.707  -2.995
  309   1HG2  THR  40          2HG2      THR  40  13.502  -2.449  -3.607
  310   2HG2  THR  40          1HG2      THR  40  12.048  -1.982  -2.725
  311   3HG2  THR  40          3HG2      THR  40  13.449  -2.602  -1.850
  312    H    ASP  41           H        ASP  41  14.750  -3.746  -4.330
  313    HA   ASP  41           HA       ASP  41  16.108  -5.482  -5.976
  314   1HB   ASP  41          2HB       ASP  41  16.877  -3.604  -4.147
  315   2HB   ASP  41          1HB       ASP  41  17.471  -5.081  -3.387
  316    H    LYS  42           H        LYS  42  15.754  -6.078  -2.456
  317    HA   LYS  42           HA       LYS  42  15.525  -8.982  -3.078
  318   1HB   LYS  42          2HB       LYS  42  17.553  -7.642  -1.305
  319   2HB   LYS  42          1HB       LYS  42  17.009  -9.278  -0.940
  320   1HG   LYS  42          2HG       LYS  42  17.494  -9.676  -3.509
  321   2HG   LYS  42          1HG       LYS  42  18.554  -8.281  -3.306
  322   1HD   LYS  42          2HD       LYS  42  19.449  -9.545  -1.217
  323   2HD   LYS  42          1HD       LYS  42  18.698 -10.965  -1.946
  324   1HE   LYS  42          2HE       LYS  42  20.305 -11.128  -3.530
  325   2HE   LYS  42          1HE       LYS  42  20.258  -9.398  -3.866
  326   1HZ   LYS  42          1HZ       LYS  42  21.362  -9.856  -1.309
  327   2HZ   LYS  42          3HZ       LYS  42  22.194 -10.788  -2.455
  328   3HZ   LYS  42          2HZ       LYS  42  22.072  -9.107  -2.659
  329    H    VAL  43           H        VAL  43  13.501  -7.055  -2.319
  330    HA   VAL  43           HA       VAL  43  12.565  -8.393   0.150
  331    HB   VAL  43           HB       VAL  43  12.760  -5.379  -0.144
  332   1HG1  VAL  43          1HG1      VAL  43  11.276  -7.183   1.739
  333   2HG1  VAL  43          3HG1      VAL  43  11.934  -5.665   2.351
  334   3HG1  VAL  43          2HG1      VAL  43  10.769  -5.651   1.028
  335   1HG2  VAL  43          1HG2      VAL  43  14.194  -7.444   1.524
  336   2HG2  VAL  43          3HG2      VAL  43  14.882  -6.144   0.551
  337   3HG2  VAL  43          2HG2      VAL  43  14.067  -5.772   2.070
  338    H    VAL  44           H        VAL  44  10.457  -8.945  -0.136
  339    HA   VAL  44           HA       VAL  44   8.965  -7.617  -2.347
  340    HB   VAL  44           HB       VAL  44   8.068 -10.103  -0.899
  341   1HG1  VAL  44          3HG1      VAL  44   6.550  -8.947  -2.504
  342   2HG1  VAL  44          2HG1      VAL  44   7.769  -9.147  -3.764
  343   3HG1  VAL  44          1HG1      VAL  44   6.997 -10.564  -3.050
  344   1HG2  VAL  44          1HG2      VAL  44  10.463  -9.754  -2.542
  345   2HG2  VAL  44          3HG2      VAL  44   9.960 -11.144  -1.578
  346   3HG2  VAL  44          2HG2      VAL  44   9.356 -10.946  -3.223
  347    H    MET  45           H        MET  45   6.788  -6.892  -1.965
  348    HA   MET  45           HA       MET  45   5.925  -6.760   0.877
  349   1HB   MET  45          2HB       MET  45   6.587  -4.442  -0.911
  350   2HB   MET  45          1HB       MET  45   5.283  -4.273   0.265
  351   1HG   MET  45          2HG       MET  45   7.590  -5.543   1.477
  352   2HG   MET  45          1HG       MET  45   8.036  -3.995   0.758
  353   1HE   MET  45          1HE       MET  45   8.588  -2.675   2.425
  354   2HE   MET  45          3HE       MET  45   7.316  -1.604   1.819
  355   3HE   MET  45          2HE       MET  45   7.516  -1.848   3.552
  356    H    GLU  46           H        GLU  46   3.623  -5.621   0.870
  357    HA   GLU  46           HA       GLU  46   2.122  -6.332  -1.596
  358   1HB   GLU  46          2HB       GLU  46   0.374  -7.427  -0.107
  359   2HB   GLU  46          1HB       GLU  46   1.882  -8.327  -0.279
  360   1HG   GLU  46          2HG       GLU  46   2.379  -8.111   1.917
  361   2HG   GLU  46          1HG       GLU  46   1.963  -6.397   1.922
  362    H    VAL  47           H        VAL  47   0.148  -5.154  -1.809
  363    HA   VAL  47           HA       VAL  47  -0.128  -2.901   0.140
  364    HB   VAL  47           HB       VAL  47  -0.928  -2.929  -2.785
  365   1HG1  VAL  47          3HG1      VAL  47  -1.202  -1.031  -0.526
  366   2HG1  VAL  47          2HG1      VAL  47  -0.642  -0.327  -2.043
  367   3HG1  VAL  47          1HG1      VAL  47  -2.178  -1.192  -1.987
  368   1HG2  VAL  47          3HG2      VAL  47   1.506  -1.749  -1.407
  369   2HG2  VAL  47          2HG2      VAL  47   1.510  -3.074  -2.570
  370   3HG2  VAL  47          1HG2      VAL  47   1.056  -1.450  -3.086
  371    H    LEU  48           H        LEU  48  -1.712  -3.800   1.481
  372    HA   LEU  48           HA       LEU  48  -4.157  -4.905   0.211
  373   1HB   LEU  48          2HB       LEU  48  -3.334  -6.249   2.020
  374   2HB   LEU  48          1HB       LEU  48  -3.158  -4.841   3.068
  375    HG   LEU  48           HG       LEU  48  -5.650  -4.505   2.909
  376   1HD1  LEU  48          2HD1      LEU  48  -5.345  -6.518   0.910
  377   2HD1  LEU  48          1HD1      LEU  48  -6.334  -7.193   2.203
  378   3HD1  LEU  48          3HD1      LEU  48  -6.825  -5.698   1.408
  379   1HD2  LEU  48          3HD2      LEU  48  -4.196  -6.140   4.560
  380   2HD2  LEU  48          2HD2      LEU  48  -5.911  -5.789   4.773
  381   3HD2  LEU  48          1HD2      LEU  48  -5.409  -7.261   3.943
  382    H    ALA  49           H        ALA  49  -6.256  -4.035   0.753
  383    HA   ALA  49           HA       ALA  49  -6.211  -1.121   1.106
  384   1HB   ALA  49          3HB       ALA  49  -7.793  -2.716  -0.385
  385   2HB   ALA  49          2HB       ALA  49  -8.790  -2.610   1.065
  386   3HB   ALA  49          1HB       ALA  49  -8.326  -1.142   0.205
  387    H    GLU  50           H        GLU  50  -7.205  -0.011   2.854
  388    HA   GLU  50           HA       GLU  50  -7.439  -1.649   5.327
  389   1HB   GLU  50          2HB       GLU  50  -6.297   0.891   4.748
  390   2HB   GLU  50          1HB       GLU  50  -7.670   1.170   5.820
  391   1HG   GLU  50          2HG       GLU  50  -6.314  -1.133   6.787
  392   2HG   GLU  50          1HG       GLU  50  -5.088   0.096   6.472
  393    H    ALA  51           H        ALA  51  -9.521  -1.121   3.076
  394    HA   ALA  51           HA       ALA  51 -11.856  -1.286   4.625
  395   1HB   ALA  51          1HB       ALA  51 -10.793   1.383   4.567
  396   2HB   ALA  51          3HB       ALA  51 -12.319   1.357   3.682
  397   3HB   ALA  51          2HB       ALA  51 -12.260   0.803   5.357
  398    H    ASP  52           H        ASP  52 -13.777  -1.290   3.284
  399    HA   ASP  52           HA       ASP  52 -13.278  -2.046   0.559
  400   1HB   ASP  52          2HB       ASP  52 -15.201  -3.048   1.324
  401   2HB   ASP  52          1HB       ASP  52 -15.688  -1.653   2.280
  402    H    GLY  53           H        GLY  53 -14.538  -0.929  -1.275
  403   1HA   GLY  53          2HA       GLY  53 -15.445   1.602  -1.534
  404   2HA   GLY  53          1HA       GLY  53 -13.723   1.911  -1.280
  405    H    VAL  54           H        VAL  54 -13.758   2.806  -3.499
  406    HA   VAL  54           HA       VAL  54 -13.408   0.627  -5.505
  407    HB   VAL  54           HB       VAL  54 -15.001   3.181  -5.831
  408   1HG1  VAL  54          1HG1      VAL  54 -13.692   1.388  -7.858
  409   2HG1  VAL  54          3HG1      VAL  54 -15.221   2.176  -8.247
  410   3HG1  VAL  54          2HG1      VAL  54 -13.806   3.149  -7.841
  411   1HG2  VAL  54          3HG2      VAL  54 -15.574   0.221  -5.985
  412   2HG2  VAL  54          2HG2      VAL  54 -16.405   1.452  -5.035
  413   3HG2  VAL  54          1HG2      VAL  54 -16.622   1.392  -6.784
  414    H    ILE  55           H        ILE  55 -11.430   0.796  -6.436
  415    HA   ILE  55           HA       ILE  55  -9.586   2.867  -5.824
  416    HB   ILE  55           HB       ILE  55  -9.662   0.843  -8.066
  417   1HG1  ILE  55          2HG1      ILE  55  -8.316   1.086  -5.372
  418   2HG1  ILE  55          1HG1      ILE  55  -9.326  -0.226  -5.977
  419   1HG2  ILE  55          2HG2      ILE  55  -7.483   2.817  -7.307
  420   2HG2  ILE  55          1HG2      ILE  55  -7.251   1.446  -8.392
  421   3HG2  ILE  55          3HG2      ILE  55  -8.352   2.750  -8.842
  422   1HD1  ILE  55          1HD1      ILE  55  -7.515  -0.605  -7.746
  423   2HD1  ILE  55          3HD1      ILE  55  -6.498   0.464  -6.780
  424   3HD1  ILE  55          2HD1      ILE  55  -7.094  -1.046  -6.091
  425    H    ALA  56           H        ALA  56  -8.587   4.366  -7.487
  426    HA   ALA  56           HA       ALA  56 -10.768   5.612  -9.097
  427   1HB   ALA  56          2HB       ALA  56  -9.589   6.982  -7.329
  428   2HB   ALA  56          1HB       ALA  56  -8.115   6.832  -8.285
  429   3HB   ALA  56          3HB       ALA  56  -9.515   7.672  -8.950
  430    H    GLU  57           H        GLU  57  -7.197   5.451  -9.366
  431    HA   GLU  57           HA       GLU  57  -7.282   4.075 -11.908
  432   1HB   GLU  57          2HB       GLU  57  -7.619   6.941 -11.937
  433   2HB   GLU  57          1HB       GLU  57  -6.088   6.515 -12.703
  434   1HG   GLU  57          2HG       GLU  57  -8.531   4.921 -13.390
  435   2HG   GLU  57          1HG       GLU  57  -8.332   6.519 -14.110
  436    H    ILE  58           H        ILE  58  -5.227   3.311 -12.412
  437    HA   ILE  58           HA       ILE  58  -3.105   3.959 -10.448
  438    HB   ILE  58           HB       ILE  58  -3.120   1.851 -12.627
  439   1HG1  ILE  58          2HG1      ILE  58  -4.948   1.347 -11.152
  440   2HG1  ILE  58          1HG1      ILE  58  -3.605   0.315 -10.648
  441   1HG2  ILE  58          3HG2      ILE  58  -0.899   2.560 -11.679
  442   2HG2  ILE  58          2HG2      ILE  58  -1.476   2.064 -10.089
  443   3HG2  ILE  58          1HG2      ILE  58  -1.293   0.869 -11.373
  444   1HD1  ILE  58          3HD1      ILE  58  -3.005   2.048  -8.929
  445   2HD1  ILE  58          2HD1      ILE  58  -4.475   2.920  -9.364
  446   3HD1  ILE  58          1HD1      ILE  58  -4.582   1.306  -8.662
  447    H    VAL  59           H        VAL  59  -1.194   4.976 -11.027
  448    HA   VAL  59           HA       VAL  59  -1.155   6.247 -13.695
  449    HB   VAL  59           HB       VAL  59   0.824   6.581 -11.425
  450   1HG1  VAL  59          3HG1      VAL  59   0.163   8.092 -13.953
  451   2HG1  VAL  59          2HG1      VAL  59   0.975   8.881 -12.601
  452   3HG1  VAL  59          1HG1      VAL  59   1.733   7.506 -13.402
  453   1HG2  VAL  59          2HG2      VAL  59  -1.732   8.107 -12.025
  454   2HG2  VAL  59          1HG2      VAL  59  -1.436   7.090 -10.614
  455   3HG2  VAL  59          3HG2      VAL  59  -0.528   8.586 -10.829
  456    H    LYS  60           H        LYS  60   0.789   3.988 -11.760
  457    HA   LYS  60           HA       LYS  60   2.541   3.551 -14.114
  458   1HB   LYS  60          2HB       LYS  60   3.584   2.003 -12.115
  459   2HB   LYS  60          1HB       LYS  60   4.086   3.652 -12.454
  460   1HG   LYS  60          2HG       LYS  60   3.614   3.480 -10.088
  461   2HG   LYS  60          1HG       LYS  60   2.336   4.441 -10.830
  462   1HD   LYS  60          2HD       LYS  60   1.195   2.898  -9.430
  463   2HD   LYS  60          1HD       LYS  60   1.038   2.231 -11.055
  464   1HE   LYS  60          2HE       LYS  60   2.121   0.359 -10.437
  465   2HE   LYS  60          1HE       LYS  60   3.498   1.306  -9.873
  466   1HZ   LYS  60          1HZ       LYS  60   1.015   0.882  -8.303
  467   2HZ   LYS  60          3HZ       LYS  60   2.422  -0.047  -8.122
  468   3HZ   LYS  60          2HZ       LYS  60   2.452   1.615  -7.769
  469    H    ASN  61           H        ASN  61   2.998   1.298 -14.726
  470    HA   ASN  61           HA       ASN  61   0.704  -0.512 -14.077
  471   1HB   ASN  61          2HB       ASN  61   2.116   0.116 -16.635
  472   2HB   ASN  61          1HB       ASN  61   1.535  -1.534 -16.399
  473   1HD2  ASN  61          2HD2      ASN  61  -1.383   1.363 -16.166
  474   2HD2  ASN  61          1HD2      ASN  61   0.105   1.614 -15.369
  475    H    GLU  62           H        GLU  62   1.284  -2.867 -14.216
  476    HA   GLU  62           HA       GLU  62   3.479  -3.525 -12.567
  477   1HB   GLU  62          2HB       GLU  62   2.457  -5.455 -14.639
  478   2HB   GLU  62          1HB       GLU  62   2.946  -5.774 -12.975
  479   1HG   GLU  62          2HG       GLU  62   0.763  -5.658 -12.424
  480   2HG   GLU  62          1HG       GLU  62   0.862  -3.925 -12.739
  481    H    GLY  63           H        GLY  63   5.631  -3.879 -12.977
  482   1HA   GLY  63          2HA       GLY  63   7.470  -4.591 -14.402
  483   2HA   GLY  63          1HA       GLY  63   6.499  -4.152 -15.813
  484    H    ASP  64           H        ASP  64   5.882  -1.666 -13.869
  485    HA   ASP  64           HA       ASP  64   8.005  -0.022 -15.109
  486   1HB   ASP  64          2HB       ASP  64   6.034   1.117 -15.423
  487   2HB   ASP  64          1HB       ASP  64   5.303   0.496 -13.944
  488    H    THR  65           H        THR  65   8.878   1.782 -13.644
  489    HA   THR  65           HA       THR  65   9.802   0.506 -11.115
  490    HB   THR  65           HB       THR  65  11.445   1.385 -12.864
  491    HG1  THR  65           HG1      THR  65  12.031   1.044 -10.694
  492   1HG2  THR  65          2HG2      THR  65   9.887   3.551 -12.996
  493   2HG2  THR  65          1HG2      THR  65  10.982   4.106 -11.729
  494   3HG2  THR  65          3HG2      THR  65  11.621   3.640 -13.305
  495    H    VAL  66           H        VAL  66  10.056   2.006  -9.213
  496    HA   VAL  66           HA       VAL  66   7.998   4.174  -9.226
  497    HB   VAL  66           HB       VAL  66   7.282   3.478  -6.987
  498   1HG1  VAL  66          3HG1      VAL  66   6.381   2.402  -9.169
  499   2HG1  VAL  66          2HG1      VAL  66   7.300   0.980  -8.676
  500   3HG1  VAL  66          1HG1      VAL  66   6.011   1.600  -7.643
  501   1HG2  VAL  66          1HG2      VAL  66   9.287   1.232  -7.375
  502   2HG2  VAL  66          3HG2      VAL  66   9.421   2.549  -6.211
  503   3HG2  VAL  66          2HG2      VAL  66   8.142   1.348  -6.039
  504    H    LEU  67           H        LEU  67   8.757   6.068  -8.381
  505    HA   LEU  67           HA       LEU  67  11.446   6.005  -7.102
  506   1HB   LEU  67          2HB       LEU  67  10.017   7.877  -8.859
  507   2HB   LEU  67          1HB       LEU  67  10.812   8.664  -7.495
  508    HG   LEU  67           HG       LEU  67  12.811   7.045  -8.190
  509   1HD1  LEU  67          1HD1      LEU  67  11.014   7.218 -10.589
  510   2HD1  LEU  67          3HD1      LEU  67  12.761   7.188 -10.824
  511   3HD1  LEU  67          2HD1      LEU  67  11.959   5.851 -10.001
  512   1HD2  LEU  67          2HD2      LEU  67  12.268   9.736  -8.419
  513   2HD2  LEU  67          1HD2      LEU  67  13.813   8.987  -8.822
  514   3HD2  LEU  67          3HD2      LEU  67  12.622   9.291 -10.087
  515    H    SER  68           H        SER  68  11.773   7.511  -5.242
  516    HA   SER  68           HA       SER  68   9.870   7.076  -3.172
  517   1HB   SER  68          2HB       SER  68  12.282   7.634  -2.807
  518   2HB   SER  68          1HB       SER  68  11.943   9.285  -3.321
  519    HG   SER  68           HG       SER  68  11.249   7.939  -0.986
  520    H    GLY  69           H        GLY  69   7.822   7.886  -3.267
  521   1HA   GLY  69          2HA       GLY  69   6.348   9.783  -2.903
  522   2HA   GLY  69          1HA       GLY  69   7.525  10.812  -3.722
  523    H    GLU  70           H        GLU  70   6.842   7.744  -5.162
  524    HA   GLU  70           HA       GLU  70   5.710   9.098  -7.509
  525   1HB   GLU  70          2HB       GLU  70   7.352   7.201  -7.687
  526   2HB   GLU  70          1HB       GLU  70   6.112   6.130  -7.034
  527   1HG   GLU  70          2HG       GLU  70   5.433   5.844  -9.171
  528   2HG   GLU  70          1HG       GLU  70   4.784   7.481  -9.065
  529    H    LEU  71           H        LEU  71   3.559   9.138  -8.042
  530    HA   LEU  71           HA       LEU  71   1.640   8.122  -6.065
  531   1HB   LEU  71          2HB       LEU  71   1.393  10.349  -7.228
  532   2HB   LEU  71          1HB       LEU  71   1.076   9.466  -8.722
  533    HG   LEU  71           HG       LEU  71  -0.716   8.209  -7.257
  534   1HD1  LEU  71          1HD1      LEU  71  -0.239  10.799  -5.759
  535   2HD1  LEU  71          3HD1      LEU  71  -1.717   9.849  -5.603
  536   3HD1  LEU  71          2HD1      LEU  71  -0.169   9.160  -5.113
  537   1HD2  LEU  71          1HD2      LEU  71  -1.198   9.647  -9.214
  538   2HD2  LEU  71          3HD2      LEU  71  -2.385   9.895  -7.934
  539   3HD2  LEU  71          2HD2      LEU  71  -1.100  11.075  -8.185
  540    H    LEU  72           H        LEU  72   0.679   6.155  -6.215
  541    HA   LEU  72           HA       LEU  72   0.963   4.654  -8.770
  542   1HB   LEU  72          2HB       LEU  72  -0.113   3.430  -6.252
  543   2HB   LEU  72          1HB       LEU  72   0.863   2.693  -7.523
  544    HG   LEU  72           HG       LEU  72   1.861   4.780  -5.562
  545   1HD1  LEU  72          2HD1      LEU  72   1.756   1.816  -5.516
  546   2HD1  LEU  72          1HD1      LEU  72   3.308   2.532  -5.078
  547   3HD1  LEU  72          3HD1      LEU  72   1.853   2.960  -4.178
  548   1HD2  LEU  72          1HD2      LEU  72   2.860   3.759  -8.078
  549   2HD2  LEU  72          3HD2      LEU  72   3.540   5.019  -7.049
  550   3HD2  LEU  72          2HD2      LEU  72   3.962   3.329  -6.770
  551    H    GLY  73           H        GLY  73  -1.386   6.192  -6.733
  552   1HA   GLY  73          2HA       GLY  73  -3.459   6.384  -8.513
  553   2HA   GLY  73          1HA       GLY  73  -3.672   4.753  -7.866
  554    H    LYS  74           H        LYS  74  -5.713   6.420  -7.347
  555    HA   LYS  74           HA       LYS  74  -5.313   7.108  -4.466
  556   1HB   LYS  74          2HB       LYS  74  -6.780   9.040  -4.736
  557   2HB   LYS  74          1HB       LYS  74  -5.446   9.163  -5.884
  558   1HG   LYS  74          2HG       LYS  74  -6.890   8.195  -7.650
  559   2HG   LYS  74          1HG       LYS  74  -8.229   8.130  -6.502
  560   1HD   LYS  74          2HD       LYS  74  -7.680  10.688  -6.174
  561   2HD   LYS  74          1HD       LYS  74  -6.933  10.523  -7.764
  562   1HE   LYS  74          2HE       LYS  74  -9.020   9.682  -8.704
  563   2HE   LYS  74          1HE       LYS  74  -9.779   9.703  -7.112
  564   1HZ   LYS  74          1HZ       LYS  74  -9.181  12.161  -7.106
  565   2HZ   LYS  74          3HZ       LYS  74  -8.929  11.994  -8.774
  566   3HZ   LYS  74          2HZ       LYS  74 -10.461  11.674  -8.111
  567    H    LEU  75           H        LEU  75  -7.211   6.792  -3.143
  568    HA   LEU  75           HA       LEU  75  -9.046   4.754  -4.279
  569   1HB   LEU  75          2HB       LEU  75  -7.805   4.412  -2.074
  570   2HB   LEU  75          1HB       LEU  75  -8.858   5.654  -1.395
  571    HG   LEU  75           HG       LEU  75 -10.839   4.320  -2.096
  572   1HD1  LEU  75          2HD1      LEU  75  -8.666   2.657  -3.268
  573   2HD1  LEU  75          1HD1      LEU  75 -10.015   1.789  -2.533
  574   3HD1  LEU  75          3HD1      LEU  75 -10.311   2.930  -3.844
  575   1HD2  LEU  75          2HD2      LEU  75  -9.409   4.032   0.132
  576   2HD2  LEU  75          1HD2      LEU  75 -10.766   2.962  -0.217
  577   3HD2  LEU  75          3HD2      LEU  75  -9.117   2.428  -0.539
  578    H    THR  76           H        THR  76 -11.356   4.984  -4.026
  579    HA   THR  76           HA       THR  76 -12.212   7.826  -4.053
  580    HB   THR  76           HB       THR  76 -13.923   5.403  -4.648
  581    HG1  THR  76           HG1      THR  76 -13.312   5.794  -6.830
  582   1HG2  THR  76          2HG2      THR  76 -14.074   8.363  -5.115
  583   2HG2  THR  76          1HG2      THR  76 -14.889   7.268  -6.232
  584   3HG2  THR  76          3HG2      THR  76 -15.318   7.263  -4.521
  585    H    GLU  77           H        GLU  77 -14.493   8.151  -3.010
  586    HA   GLU  77           HA       GLU  77 -14.251   7.623  -0.198
  587   1HB   GLU  77          2HB       GLU  77 -16.482   8.682  -1.935
  588   2HB   GLU  77          1HB       GLU  77 -16.707   8.429  -0.204
  589   1HG   GLU  77          2HG       GLU  77 -14.315   9.757  -0.236
  590   2HG   GLU  77          1HG       GLU  77 -15.136  10.493  -1.613
  591    H    GLY  78           H        GLY  78 -16.605   6.746   0.784
  592   1HA   GLY  78          2HA       GLY  78 -16.918   4.025  -0.426
  593   2HA   GLY  78          1HA       GLY  78 -16.938   4.305   1.315
  594    H    GLY  79           HN       GLY  79 -18.551   6.608   1.409
  595   1HA   GLY  79          2HA       GLY  79 -20.937   6.543  -0.095
  596   2HA   GLY  79          1HA       GLY  79 -21.172   5.450   1.270
   
  No H/Q in entry =         596
  Start of MODEL   21
    1   1H    ALA   1          2H        ALA   1 -11.174   7.349   1.284
    2   2H    ALA   1          1H        ALA   1 -12.367   8.557   1.343
    3   3H    ALA   1          3H        ALA   1 -12.178   7.621  -0.058
    4    HA   ALA   1           HA       ALA   1 -10.665   8.994  -0.874
    5   1HB   ALA   1          2HB       ALA   1 -12.076  10.426   1.130
    6   2HB   ALA   1          1HB       ALA   1 -10.385  10.909   1.255
    7   3HB   ALA   1          3HB       ALA   1 -11.242  11.085  -0.276
    8    H    ILE   2           H        ILE   2  -8.840   7.600  -0.754
    9    HA   ILE   2           HA       ILE   2  -6.850   8.426   1.292
   10    HB   ILE   2           HB       ILE   2  -7.214   5.510   0.603
   11   1HG1  ILE   2          2HG1      ILE   2  -8.331   6.842   3.079
   12   2HG1  ILE   2          1HG1      ILE   2  -9.311   6.585   1.635
   13   1HG2  ILE   2          2HG2      ILE   2  -5.943   6.986   2.930
   14   2HG2  ILE   2          1HG2      ILE   2  -6.000   5.233   2.744
   15   3HG2  ILE   2          3HG2      ILE   2  -5.076   6.212   1.603
   16   1HD1  ILE   2          1HD1      ILE   2  -7.893   4.161   2.257
   17   2HD1  ILE   2          3HD1      ILE   2  -8.752   4.716   3.693
   18   3HD1  ILE   2          2HD1      ILE   2  -9.634   4.432   2.192
   19    H    ASP   3           H        ASP   3  -5.279   9.256  -0.014
   20    HA   ASP   3           HA       ASP   3  -4.846   8.393  -2.730
   21   1HB   ASP   3          2HB       ASP   3  -4.229  10.656  -1.761
   22   2HB   ASP   3          1HB       ASP   3  -2.871   9.858  -0.959
   23    H    ILE   4           H        ILE   4  -3.025   7.195  -3.557
   24    HA   ILE   4           HA       ILE   4  -1.688   5.470  -1.508
   25    HB   ILE   4           HB       ILE   4  -2.341   4.566  -4.316
   26   1HG1  ILE   4          2HG1      ILE   4  -4.413   5.282  -3.022
   27   2HG1  ILE   4          1HG1      ILE   4  -4.387   3.588  -3.516
   28   1HG2  ILE   4          2HG2      ILE   4  -1.284   3.376  -1.801
   29   2HG2  ILE   4          1HG2      ILE   4  -2.377   2.372  -2.752
   30   3HG2  ILE   4          3HG2      ILE   4  -0.894   2.992  -3.477
   31   1HD1  ILE   4          2HD1      ILE   4  -3.139   4.124  -0.894
   32   2HD1  ILE   4          1HD1      ILE   4  -4.875   4.429  -0.959
   33   3HD1  ILE   4          3HD1      ILE   4  -4.243   2.835  -1.373
   34    H    LYS   5           H        LYS   5   0.522   5.297  -1.713
   35    HA   LYS   5           HA       LYS   5   1.794   6.191  -4.243
   36   1HB   LYS   5          2HB       LYS   5   3.479   7.434  -2.636
   37   2HB   LYS   5          1HB       LYS   5   1.987   8.232  -3.134
   38   1HG   LYS   5          2HG       LYS   5   1.693   6.526  -0.753
   39   2HG   LYS   5          1HG       LYS   5   2.777   7.898  -0.524
   40   1HD   LYS   5          2HD       LYS   5   0.708   9.068  -1.886
   41   2HD   LYS   5          1HD       LYS   5  -0.145   7.859  -0.925
   42   1HE   LYS   5          2HE       LYS   5   1.926   9.275   0.592
   43   2HE   LYS   5          1HE       LYS   5   0.660  10.343  -0.013
   44   1HZ   LYS   5          1HZ       LYS   5  -0.591   8.055   0.932
   45   2HZ   LYS   5          3HZ       LYS   5   0.543   8.496   2.112
   46   3HZ   LYS   5          2HZ       LYS   5  -0.633   9.614   1.607
   47    H    ALA   6           H        ALA   6   4.276   5.772  -4.037
   48    HA   ALA   6           HA       ALA   6   4.632   3.000  -3.323
   49   1HB   ALA   6          1HB       ALA   6   6.597   5.176  -4.090
   50   2HB   ALA   6          3HB       ALA   6   7.068   3.500  -3.817
   51   3HB   ALA   6          2HB       ALA   6   5.956   3.900  -5.125
   52    HA   PRO   7           HA       PRO   7   5.933   3.383   0.850
   53   1HB   PRO   7          2HB       PRO   7   7.636   1.229   1.002
   54   2HB   PRO   7          1HB       PRO   7   5.871   1.079   0.949
   55   1HG   PRO   7          2HG       PRO   7   7.865   0.532  -1.199
   56   2HG   PRO   7          1HG       PRO   7   6.251  -0.161  -0.964
   57   1HD   PRO   7          2HD       PRO   7   6.928   1.874  -2.813
   58   2HD   PRO   7          1HD       PRO   7   5.282   1.406  -2.329
   59    H    THR   8           H        THR   8   7.300   5.039   1.438
   60    HA   THR   8           HA       THR   8   9.612   5.919   0.172
   61    HB   THR   8           HB       THR   8   8.975   5.913   3.136
   62    HG1  THR   8           HG1      THR   8   8.391   8.069   2.634
   63   1HG2  THR   8          1HG2      THR   8  11.074   7.478   1.608
   64   2HG2  THR   8          3HG2      THR   8  10.663   7.706   3.307
   65   3HG2  THR   8          2HG2      THR   8  11.394   6.193   2.772
   66    H    PHE   9           H        PHE   9  11.586   5.018  -0.160
   67    HA   PHE   9           HA       PHE   9  12.334   2.664   1.521
   68   1HB   PHE   9          2HB       PHE   9  14.039   2.400  -0.479
   69   2HB   PHE   9          1HB       PHE   9  12.361   1.886  -0.676
   70    HD1  PHE   9           HD1      PHE   9  14.529   4.925  -1.068
   71    HD2  PHE   9           HD2      PHE   9  11.119   2.718  -2.473
   72    HE1  PHE   9           HE1      PHE   9  14.250   6.540  -2.931
   73    HE2  PHE   9           HE2      PHE   9  10.841   4.333  -4.335
   74    HZ   PHE   9           HZ       PHE   9  12.406   6.244  -4.565
   75    HA   PRO  10           HA       PRO  10  15.695   4.974   3.152
   76   1HB   PRO  10          2HB       PRO  10  17.314   2.871   3.872
   77   2HB   PRO  10          1HB       PRO  10  15.854   3.333   4.764
   78   1HG   PRO  10          2HG       PRO  10  16.281   1.015   2.938
   79   2HG   PRO  10          1HG       PRO  10  15.147   1.186   4.287
   80   1HD   PRO  10          2HD       PRO  10  14.502   1.416   1.539
   81   2HD   PRO  10          1HD       PRO  10  13.468   1.906   2.902
   82    H    GLU  11           H        GLU  11  18.369   4.519   3.066
   83    HA   GLU  11           HA       GLU  11  19.091   5.169   0.361
   84   1HB   GLU  11          2HB       GLU  11  20.454   4.863   2.945
   85   2HB   GLU  11          1HB       GLU  11  21.450   4.388   1.569
   86   1HG   GLU  11          2HG       GLU  11  21.880   6.594   1.314
   87   2HG   GLU  11          1HG       GLU  11  20.236   6.718   0.686
   88    H    SER  12           H        SER  12  19.504   2.209   2.311
   89    HA   SER  12           HA       SER  12  20.978   0.602   0.633
   90   1HB   SER  12          2HB       SER  12  20.336  -0.620   2.462
   91   2HB   SER  12          1HB       SER  12  18.727   0.100   2.504
   92    HG   SER  12           HG       SER  12  19.533  -1.649   0.437
   93    H    ILE  13           H        ILE  13  17.586   1.529   0.212
   94    HA   ILE  13           HA       ILE  13  17.647   0.183  -2.460
   95    HB   ILE  13           HB       ILE  13  15.194   0.976  -0.866
   96   1HG1  ILE  13          2HG1      ILE  13  16.654  -0.766   0.260
   97   2HG1  ILE  13          1HG1      ILE  13  15.032  -1.323  -0.151
   98   1HG2  ILE  13          3HG2      ILE  13  15.701  -0.095  -3.533
   99   2HG2  ILE  13          2HG2      ILE  13  14.637  -1.142  -2.594
  100   3HG2  ILE  13          1HG2      ILE  13  14.207   0.549  -2.852
  101   1HD1  ILE  13          2HD1      ILE  13  16.927  -1.710  -2.343
  102   2HD1  ILE  13          1HD1      ILE  13  17.408  -2.569  -0.880
  103   3HD1  ILE  13          3HD1      ILE  13  15.825  -2.867  -1.598
  104    H    ALA  14           H        ALA  14  18.146   1.737  -3.947
  105    HA   ALA  14           HA       ALA  14  17.484   4.538  -3.549
  106   1HB   ALA  14          2HB       ALA  14  19.150   3.019  -5.294
  107   2HB   ALA  14          1HB       ALA  14  18.059   3.973  -6.298
  108   3HB   ALA  14          3HB       ALA  14  19.087   4.772  -5.109
  109    H    ASP  15           H        ASP  15  15.574   1.955  -4.356
  110    HA   ASP  15           HA       ASP  15  13.257   3.378  -4.933
  111   1HB   ASP  15          2HB       ASP  15  13.244   2.850  -7.529
  112   2HB   ASP  15          1HB       ASP  15  13.968   4.341  -6.926
  113    H    GLY  16           H        GLY  16  11.794   1.869  -6.592
  114   1HA   GLY  16          2HA       GLY  16  12.436  -0.984  -6.084
  115   2HA   GLY  16          1HA       GLY  16  10.921  -0.357  -5.430
  116    H    THR  17           H        THR  17  10.022  -2.073  -6.934
  117    HA   THR  17           HA       THR  17   9.322  -0.789  -9.501
  118    HB   THR  17           HB       THR  17  10.109  -3.667  -9.669
  119    HG1  THR  17           HG1      THR  17  12.210  -3.215  -9.756
  120   1HG2  THR  17          2HG2      THR  17  10.269  -1.273 -11.520
  121   2HG2  THR  17          1HG2      THR  17  10.781  -2.905 -11.950
  122   3HG2  THR  17          3HG2      THR  17   9.085  -2.578 -11.591
  123    H    VAL  18           H        VAL  18   7.166  -1.076  -9.833
  124    HA   VAL  18           HA       VAL  18   5.390  -2.250  -8.069
  125    HB   VAL  18           HB       VAL  18   5.098  -2.222 -11.089
  126   1HG1  VAL  18          3HG1      VAL  18   3.224  -2.705  -8.795
  127   2HG1  VAL  18          2HG1      VAL  18   2.616  -1.900 -10.242
  128   3HG1  VAL  18          1HG1      VAL  18   3.308  -3.519 -10.359
  129   1HG2  VAL  18          3HG2      VAL  18   4.513  -0.164  -8.943
  130   2HG2  VAL  18          2HG2      VAL  18   5.593   0.008 -10.326
  131   3HG2  VAL  18          1HG2      VAL  18   3.849  -0.071 -10.574
  132    H    ALA  19           H        ALA  19   4.173  -4.307  -8.178
  133    HA   ALA  19           HA       ALA  19   5.907  -6.525  -9.189
  134   1HB   ALA  19          1HB       ALA  19   5.394  -6.258  -6.656
  135   2HB   ALA  19          3HB       ALA  19   3.781  -6.836  -7.073
  136   3HB   ALA  19          2HB       ALA  19   5.189  -7.853  -7.378
  137    H    THR  20           H        THR  20   2.455  -6.273  -8.274
  138    HA   THR  20           HA       THR  20   1.607  -6.817 -11.024
  139    HB   THR  20           HB       THR  20   1.354  -8.918  -8.856
  140    HG1  THR  20           HG1      THR  20   3.047  -9.544  -9.924
  141   1HG2  THR  20          3HG2      THR  20  -0.532  -8.215 -10.871
  142   2HG2  THR  20          2HG2      THR  20   0.222  -9.734 -11.354
  143   3HG2  THR  20          1HG2      THR  20  -0.572  -9.603  -9.784
  144    H    TRP  21           H        TRP  21  -0.417  -5.953 -11.308
  145    HA   TRP  21           HA       TRP  21  -1.784  -4.865  -8.940
  146   1HB   TRP  21          2HB       TRP  21  -1.861  -4.439 -11.892
  147   2HB   TRP  21          1HB       TRP  21  -3.326  -4.090 -10.979
  148    HD1  TRP  21           HD1      TRP  21   0.137  -2.805 -11.669
  149    HE1  TRP  21           HE1      TRP  21   0.493  -0.574 -10.415
  150    HE3  TRP  21           HE3      TRP  21  -4.027  -2.761  -8.710
  151    HZ2  TRP  21           HZ2      TRP  21  -0.790   0.999  -8.451
  152    HZ3  TRP  21           HZ3      TRP  21  -4.436  -0.874  -7.148
  153    HH2  TRP  21           HH2      TRP  21  -2.822   1.009  -7.015
  154    H    HIS  22           H        HIS  22  -2.547  -6.910  -8.065
  155    HA   HIS  22           HA       HIS  22  -3.935  -8.960  -9.316
  156   1HB   HIS  22          2HB       HIS  22  -5.209  -7.838  -6.841
  157   2HB   HIS  22          1HB       HIS  22  -4.863  -9.520  -7.258
  158    HD1  HIS  22           HD1      HIS  22  -3.188  -6.375  -6.032
  159    HD2  HIS  22           HD2      HIS  22  -2.300 -10.421  -6.486
  160    HE1  HIS  22           HE1      HIS  22  -0.931  -6.730  -4.978
  161    H    LYS  23           H        LYS  23  -5.586  -6.062  -7.993
  162    HA   LYS  23           HA       LYS  23  -7.778  -6.573  -9.951
  163   1HB   LYS  23          2HB       LYS  23  -7.662  -5.509  -7.203
  164   2HB   LYS  23          1HB       LYS  23  -8.702  -4.589  -8.292
  165   1HG   LYS  23          2HG       LYS  23 -10.269  -6.164  -7.846
  166   2HG   LYS  23          1HG       LYS  23  -9.338  -7.198  -8.930
  167   1HD   LYS  23          2HD       LYS  23  -7.993  -7.978  -6.985
  168   2HD   LYS  23          1HD       LYS  23  -9.008  -7.004  -5.921
  169   1HE   LYS  23          2HE       LYS  23 -10.654  -8.547  -5.935
  170   2HE   LYS  23          1HE       LYS  23 -10.602  -8.682  -7.692
  171   1HZ   LYS  23          3HZ       LYS  23  -8.456  -9.881  -6.083
  172   2HZ   LYS  23          2HZ       LYS  23  -9.941 -10.693  -6.224
  173   3HZ   LYS  23          1HZ       LYS  23  -9.032 -10.333  -7.613
  174    H    LYS  24           H        LYS  24  -8.620  -4.735 -11.150
  175    HA   LYS  24           HA       LYS  24  -6.496  -2.756 -11.765
  176   1HB   LYS  24          2HB       LYS  24  -8.682  -4.028 -13.241
  177   2HB   LYS  24          1HB       LYS  24  -8.625  -2.281 -13.489
  178   1HG   LYS  24          2HG       LYS  24  -6.377  -2.362 -14.274
  179   2HG   LYS  24          1HG       LYS  24  -6.155  -4.012 -13.693
  180   1HD   LYS  24          2HD       LYS  24  -8.326  -4.284 -15.360
  181   2HD   LYS  24          1HD       LYS  24  -7.372  -3.057 -16.195
  182   1HE   LYS  24          2HE       LYS  24  -5.393  -4.511 -16.106
  183   2HE   LYS  24          1HE       LYS  24  -6.316  -5.732 -15.231
  184   1HZ   LYS  24          2HZ       LYS  24  -7.050  -4.718 -17.921
  185   2HZ   LYS  24          1HZ       LYS  24  -6.143  -6.130 -17.659
  186   3HZ   LYS  24          3HZ       LYS  24  -7.740  -6.032 -17.095
  187    HA   PRO  25           HA       PRO  25  -8.619   0.619  -9.940
  188   1HB   PRO  25          2HB       PRO  25  -8.163   2.612 -11.780
  189   2HB   PRO  25          1HB       PRO  25  -6.917   1.985 -10.688
  190   1HG   PRO  25          2HG       PRO  25  -7.279   1.486 -13.609
  191   2HG   PRO  25          1HG       PRO  25  -5.795   1.459 -12.641
  192   1HD   PRO  25          2HD       PRO  25  -7.227  -0.812 -13.508
  193   2HD   PRO  25          1HD       PRO  25  -5.979  -0.793 -12.246
  194    H    GLY  26           H        GLY  26 -10.856   0.282  -9.942
  195   1HA   GLY  26          2HA       GLY  26 -12.768   1.709 -11.063
  196   2HA   GLY  26          1HA       GLY  26 -12.345   0.737 -12.479
  197    H    GLU  27           H        GLU  27 -11.709  -1.372 -10.160
  198    HA   GLU  27           HA       GLU  27 -14.378  -2.626 -10.378
  199   1HB   GLU  27          2HB       GLU  27 -11.714  -3.620  -9.330
  200   2HB   GLU  27          1HB       GLU  27 -13.194  -4.579  -9.289
  201   1HG   GLU  27          2HG       GLU  27 -12.412  -3.323 -11.888
  202   2HG   GLU  27          1HG       GLU  27 -11.508  -4.738 -11.347
  203    H    ALA  28           H        ALA  28 -14.665  -4.046  -8.097
  204    HA   ALA  28           HA       ALA  28 -14.984  -1.903  -6.051
  205   1HB   ALA  28          3HB       ALA  28 -16.446  -4.424  -6.709
  206   2HB   ALA  28          2HB       ALA  28 -16.419  -3.912  -5.021
  207   3HB   ALA  28          1HB       ALA  28 -17.083  -2.843  -6.257
  208    H    VAL  29           H        VAL  29 -14.270  -2.269  -3.891
  209    HA   VAL  29           HA       VAL  29 -12.486  -4.637  -3.522
  210    HB   VAL  29           HB       VAL  29 -11.830  -1.933  -2.362
  211   1HG1  VAL  29          2HG1      VAL  29 -10.255  -4.435  -3.032
  212   2HG1  VAL  29          1HG1      VAL  29  -9.524  -2.935  -2.459
  213   3HG1  VAL  29          3HG1      VAL  29 -10.639  -3.825  -1.423
  214   1HG2  VAL  29          1HG2      VAL  29 -11.335  -2.977  -5.144
  215   2HG2  VAL  29          3HG2      VAL  29 -11.827  -1.361  -4.640
  216   3HG2  VAL  29          2HG2      VAL  29 -10.165  -1.896  -4.385
  217    H    LYS  30           H        LYS  30 -12.107  -5.114  -1.177
  218    HA   LYS  30           HA       LYS  30 -14.292  -4.067   0.570
  219   1HB   LYS  30          2HB       LYS  30 -14.670  -6.430  -0.486
  220   2HB   LYS  30          1HB       LYS  30 -13.456  -6.957   0.681
  221   1HG   LYS  30          2HG       LYS  30 -14.781  -6.156   2.532
  222   2HG   LYS  30          1HG       LYS  30 -15.927  -5.377   1.440
  223   1HD   LYS  30          2HD       LYS  30 -15.904  -7.987   0.530
  224   2HD   LYS  30          1HD       LYS  30 -15.763  -8.185   2.277
  225   1HE   LYS  30          2HE       LYS  30 -18.112  -8.119   1.793
  226   2HE   LYS  30          1HE       LYS  30 -17.704  -6.556   2.501
  227   1HZ   LYS  30          1HZ       LYS  30 -17.263  -6.342  -0.226
  228   2HZ   LYS  30          3HZ       LYS  30 -18.761  -7.118  -0.054
  229   3HZ   LYS  30          2HZ       LYS  30 -18.497  -5.610   0.682
  230    H    ARG  31           H        ARG  31 -13.688  -3.792   2.729
  231    HA   ARG  31           HA       ARG  31 -11.099  -3.216   3.455
  232   1HB   ARG  31          2HB       ARG  31 -13.072  -2.800   4.899
  233   2HB   ARG  31          1HB       ARG  31 -13.149  -4.524   5.266
  234   1HG   ARG  31          2HG       ARG  31 -10.802  -4.378   6.148
  235   2HG   ARG  31          1HG       ARG  31 -10.876  -2.630   5.925
  236   1HD   ARG  31          2HD       ARG  31 -11.604  -2.714   8.104
  237   2HD   ARG  31          1HD       ARG  31 -13.157  -2.965   7.307
  238    HE   ARG  31           HE       ARG  31 -11.587  -5.020   8.727
  239   1HH1  ARG  31          2HH1      ARG  31 -12.439  -6.423   6.336
  240   2HH1  ARG  31          1HH1      ARG  31 -14.058  -6.922   6.697
  241   1HH2  ARG  31          1HH2      ARG  31 -14.437  -4.695   9.329
  242   2HH2  ARG  31          2HH2      ARG  31 -15.189  -5.943   8.392
  243    H    ASP  32           H        ASP  32  -9.275  -4.367   4.037
  244    HA   ASP  32           HA       ASP  32  -7.905  -6.228   4.490
  245   1HB   ASP  32          2HB       ASP  32 -10.002  -6.830   5.954
  246   2HB   ASP  32          1HB       ASP  32 -10.332  -7.993   4.669
  247    H    GLU  33           H        GLU  33  -8.174  -5.537   1.888
  248    HA   GLU  33           HA       GLU  33  -8.196  -8.185   0.538
  249   1HB   GLU  33          2HB       GLU  33 -10.406  -6.849   0.232
  250   2HB   GLU  33          1HB       GLU  33  -9.445  -5.791  -0.802
  251   1HG   GLU  33          2HG       GLU  33  -9.866  -7.261  -2.466
  252   2HG   GLU  33          1HG       GLU  33  -8.736  -8.342  -1.650
  253    H    LEU  34           H        LEU  34  -6.160  -8.348  -0.265
  254    HA   LEU  34           HA       LEU  34  -4.218  -6.417  -0.522
  255   1HB   LEU  34          2HB       LEU  34  -3.850  -8.835  -0.957
  256   2HB   LEU  34          1HB       LEU  34  -4.683  -8.667  -2.504
  257    HG   LEU  34           HG       LEU  34  -3.005  -7.012  -3.233
  258   1HD1  LEU  34          3HD1      LEU  34  -1.726  -7.628  -0.551
  259   2HD1  LEU  34          2HD1      LEU  34  -0.975  -6.679  -1.834
  260   3HD1  LEU  34          1HD1      LEU  34  -2.432  -6.086  -1.036
  261   1HD2  LEU  34          2HD2      LEU  34  -1.968  -9.666  -2.204
  262   2HD2  LEU  34          1HD2      LEU  34  -2.523  -9.287  -3.834
  263   3HD2  LEU  34          3HD2      LEU  34  -1.012  -8.602  -3.236
  264    H    ILE  35           H        ILE  35  -3.375  -5.282  -2.488
  265    HA   ILE  35           HA       ILE  35  -5.470  -4.667  -4.509
  266    HB   ILE  35           HB       ILE  35  -3.875  -2.431  -3.278
  267   1HG1  ILE  35          2HG1      ILE  35  -6.515  -3.553  -2.285
  268   2HG1  ILE  35          1HG1      ILE  35  -4.993  -3.523  -1.392
  269   1HG2  ILE  35          2HG2      ILE  35  -6.410  -2.735  -4.881
  270   2HG2  ILE  35          1HG2      ILE  35  -6.094  -1.264  -3.959
  271   3HG2  ILE  35          3HG2      ILE  35  -4.988  -1.756  -5.243
  272   1HD1  ILE  35          1HD1      ILE  35  -5.386  -0.874  -2.224
  273   2HD1  ILE  35          3HD1      ILE  35  -6.978  -1.423  -1.701
  274   3HD1  ILE  35          2HD1      ILE  35  -5.609  -1.507  -0.593
  275    H    VAL  36           H        VAL  36  -2.084  -4.256  -3.486
  276    HA   VAL  36           HA       VAL  36  -1.191  -4.888  -6.202
  277    HB   VAL  36           HB       VAL  36  -1.704  -2.411  -6.248
  278   1HG1  VAL  36          2HG1      VAL  36   0.498  -2.433  -4.169
  279   2HG1  VAL  36          1HG1      VAL  36   0.040  -0.988  -5.070
  280   3HG1  VAL  36          3HG1      VAL  36  -1.129  -1.770  -4.006
  281   1HG2  VAL  36          1HG2      VAL  36   0.308  -3.791  -7.418
  282   2HG2  VAL  36          3HG2      VAL  36   0.051  -2.067  -7.684
  283   3HG2  VAL  36          2HG2      VAL  36   1.251  -2.609  -6.510
  284    H    ASP  37           H        ASP  37   0.880  -5.754  -6.150
  285    HA   ASP  37           HA       ASP  37   2.114  -5.964  -3.453
  286   1HB   ASP  37          2HB       ASP  37   2.179  -7.609  -5.951
  287   2HB   ASP  37          1HB       ASP  37   3.586  -7.663  -4.887
  288    H    ILE  38           H        ILE  38   4.348  -5.467  -3.150
  289    HA   ILE  38           HA       ILE  38   5.417  -3.567  -5.186
  290    HB   ILE  38           HB       ILE  38   6.315  -3.927  -2.313
  291   1HG1  ILE  38          2HG1      ILE  38   3.973  -3.258  -2.308
  292   2HG1  ILE  38          1HG1      ILE  38   4.960  -1.855  -1.898
  293   1HG2  ILE  38          3HG2      ILE  38   7.277  -2.413  -4.563
  294   2HG2  ILE  38          2HG2      ILE  38   6.690  -1.300  -3.326
  295   3HG2  ILE  38          1HG2      ILE  38   7.932  -2.488  -2.927
  296   1HD1  ILE  38          3HD1      ILE  38   4.920  -1.442  -4.503
  297   2HD1  ILE  38          2HD1      ILE  38   3.472  -2.445  -4.434
  298   3HD1  ILE  38          1HD1      ILE  38   3.549  -0.946  -3.510
  299    H    GLU  39           H        GLU  39   7.443  -3.922  -6.096
  300    HA   GLU  39           HA       GLU  39   8.870  -6.404  -5.228
  301   1HB   GLU  39          2HB       GLU  39   7.574  -6.023  -7.669
  302   2HB   GLU  39          1HB       GLU  39   9.272  -5.710  -8.034
  303   1HG   GLU  39          2HG       GLU  39   9.832  -7.886  -7.783
  304   2HG   GLU  39          1HG       GLU  39   8.906  -8.031  -6.289
  305    H    THR  40           H        THR  40  10.419  -5.218  -4.023
  306    HA   THR  40           HA       THR  40  11.894  -3.041  -5.357
  307    HB   THR  40           HB       THR  40  12.820  -2.572  -3.258
  308    HG1  THR  40           HG1      THR  40  13.771  -4.362  -2.589
  309   1HG2  THR  40          1HG2      THR  40  10.213  -2.628  -3.362
  310   2HG2  THR  40          3HG2      THR  40  10.368  -4.026  -2.300
  311   3HG2  THR  40          2HG2      THR  40  10.996  -2.459  -1.791
  312    H    ASP  41           H        ASP  41  14.469  -3.345  -4.650
  313    HA   ASP  41           HA       ASP  41  15.657  -4.976  -6.518
  314   1HB   ASP  41          2HB       ASP  41  17.005  -3.435  -5.244
  315   2HB   ASP  41          1HB       ASP  41  16.656  -4.293  -3.742
  316    H    LYS  42           H        LYS  42  15.352  -5.949  -3.079
  317    HA   LYS  42           HA       LYS  42  14.804  -8.722  -4.001
  318   1HB   LYS  42          2HB       LYS  42  17.108  -7.813  -2.296
  319   2HB   LYS  42          1HB       LYS  42  16.416  -9.417  -2.050
  320   1HG   LYS  42          2HG       LYS  42  16.876  -8.756  -4.878
  321   2HG   LYS  42          1HG       LYS  42  18.352  -8.809  -3.913
  322   1HD   LYS  42          2HD       LYS  42  18.211 -11.056  -3.592
  323   2HD   LYS  42          1HD       LYS  42  16.461 -11.009  -3.375
  324   1HE   LYS  42          2HE       LYS  42  17.453 -10.413  -6.110
  325   2HE   LYS  42          1HE       LYS  42  17.638 -12.079  -5.562
  326   1HZ   LYS  42          3HZ       LYS  42  15.151 -11.548  -4.765
  327   2HZ   LYS  42          2HZ       LYS  42  15.231 -10.579  -6.159
  328   3HZ   LYS  42          1HZ       LYS  42  15.527 -12.249  -6.263
  329    H    VAL  43           H        VAL  43  13.134  -6.635  -2.792
  330    HA   VAL  43           HA       VAL  43  12.383  -8.110  -0.306
  331    HB   VAL  43           HB       VAL  43  12.140  -5.109  -0.613
  332   1HG1  VAL  43          3HG1      VAL  43  11.242  -7.070   1.295
  333   2HG1  VAL  43          2HG1      VAL  43  12.393  -5.985   2.072
  334   3HG1  VAL  43          1HG1      VAL  43  10.956  -5.330   1.288
  335   1HG2  VAL  43          3HG2      VAL  43  14.550  -6.167  -0.628
  336   2HG2  VAL  43          2HG2      VAL  43  14.207  -4.801   0.434
  337   3HG2  VAL  43          1HG2      VAL  43  14.233  -6.440   1.085
  338    H    VAL  44           H        VAL  44  10.477  -9.064  -0.867
  339    HA   VAL  44           HA       VAL  44   8.624  -7.647  -2.693
  340    HB   VAL  44           HB       VAL  44   8.201 -10.368  -1.446
  341   1HG1  VAL  44          3HG1      VAL  44   6.793  -8.702  -3.310
  342   2HG1  VAL  44          2HG1      VAL  44   7.359 -10.142  -4.157
  343   3HG1  VAL  44          1HG1      VAL  44   6.348 -10.304  -2.721
  344   1HG2  VAL  44          3HG2      VAL  44   9.933  -9.548  -3.780
  345   2HG2  VAL  44          2HG2      VAL  44  10.338 -10.619  -2.438
  346   3HG2  VAL  44          1HG2      VAL  44   9.221 -11.159  -3.691
  347    H    MET  45           H        MET  45   6.919  -6.507  -1.908
  348    HA   MET  45           HA       MET  45   6.015  -7.105   0.882
  349   1HB   MET  45          2HB       MET  45   6.521  -4.475  -0.497
  350   2HB   MET  45          1HB       MET  45   5.354  -4.578   0.823
  351   1HG   MET  45          2HG       MET  45   7.793  -5.983   1.510
  352   2HG   MET  45          1HG       MET  45   8.143  -4.314   1.062
  353   1HE   MET  45          2HE       MET  45   7.088  -6.789   3.256
  354   2HE   MET  45          1HE       MET  45   8.056  -5.866   4.403
  355   3HE   MET  45          3HE       MET  45   6.324  -6.089   4.681
  356    H    GLU  46           H        GLU  46   3.721  -5.832   1.108
  357    HA   GLU  46           HA       GLU  46   2.126  -6.408  -1.348
  358   1HB   GLU  46          2HB       GLU  46   1.304  -7.176   1.468
  359   2HB   GLU  46          1HB       GLU  46   0.417  -7.514  -0.019
  360   1HG   GLU  46          2HG       GLU  46   1.672  -9.337  -0.457
  361   2HG   GLU  46          1HG       GLU  46   3.172  -8.456  -0.166
  362    H    VAL  47           H        VAL  47   0.116  -5.190  -1.449
  363    HA   VAL  47           HA       VAL  47   0.030  -2.874   0.442
  364    HB   VAL  47           HB       VAL  47  -0.585  -2.782  -2.526
  365   1HG1  VAL  47          1HG1      VAL  47  -1.270  -1.075  -0.366
  366   2HG1  VAL  47          3HG1      VAL  47   0.013  -0.263  -1.264
  367   3HG1  VAL  47          2HG1      VAL  47  -1.464  -0.756  -2.090
  368   1HG2  VAL  47          2HG2      VAL  47   1.911  -2.367  -0.957
  369   2HG2  VAL  47          1HG2      VAL  47   1.709  -2.887  -2.630
  370   3HG2  VAL  47          3HG2      VAL  47   1.567  -1.179  -2.213
  371    H    LEU  48           H        LEU  48  -1.716  -3.612   1.666
  372    HA   LEU  48           HA       LEU  48  -4.201  -4.321   0.170
  373   1HB   LEU  48          2HB       LEU  48  -3.262  -5.960   1.867
  374   2HB   LEU  48          1HB       LEU  48  -3.637  -4.768   3.111
  375    HG   LEU  48           HG       LEU  48  -5.886  -5.212   1.302
  376   1HD1  LEU  48          2HD1      LEU  48  -4.781  -7.490   1.288
  377   2HD1  LEU  48          1HD1      LEU  48  -5.023  -7.544   3.033
  378   3HD1  LEU  48          3HD1      LEU  48  -6.414  -7.473   1.953
  379   1HD2  LEU  48          2HD2      LEU  48  -5.478  -4.304   3.854
  380   2HD2  LEU  48          1HD2      LEU  48  -7.044  -4.819   3.228
  381   3HD2  LEU  48          3HD2      LEU  48  -6.055  -5.941   4.162
  382    H    ALA  49           H        ALA  49  -6.187  -3.296   0.800
  383    HA   ALA  49           HA       ALA  49  -5.808  -0.546   1.762
  384   1HB   ALA  49          3HB       ALA  49  -8.089  -2.111   0.586
  385   2HB   ALA  49          2HB       ALA  49  -8.416  -0.595   1.427
  386   3HB   ALA  49          1HB       ALA  49  -7.359  -0.610   0.015
  387    H    GLU  50           H        GLU  50  -7.195   0.319   3.529
  388    HA   GLU  50           HA       GLU  50  -7.480  -1.709   5.695
  389   1HB   GLU  50          2HB       GLU  50  -6.423   0.955   5.605
  390   2HB   GLU  50          1HB       GLU  50  -7.816   0.941   6.688
  391   1HG   GLU  50          2HG       GLU  50  -6.651  -1.327   7.515
  392   2HG   GLU  50          1HG       GLU  50  -5.211  -0.491   6.932
  393    H    ALA  51           H        ALA  51  -9.431  -0.839   3.431
  394    HA   ALA  51           HA       ALA  51 -11.842  -1.199   4.909
  395   1HB   ALA  51          3HB       ALA  51 -11.059   1.646   4.284
  396   2HB   ALA  51          2HB       ALA  51 -12.753   1.176   4.415
  397   3HB   ALA  51          1HB       ALA  51 -11.675   0.984   5.798
  398    H    ASP  52           H        ASP  52 -13.803  -0.568   3.424
  399    HA   ASP  52           HA       ASP  52 -13.219  -1.663   0.786
  400   1HB   ASP  52          2HB       ASP  52 -15.288  -2.406   1.461
  401   2HB   ASP  52          1HB       ASP  52 -15.667  -0.923   2.330
  402    H    GLY  53           H        GLY  53 -14.230  -0.491  -1.166
  403   1HA   GLY  53          2HA       GLY  53 -14.810   2.125  -1.555
  404   2HA   GLY  53          1HA       GLY  53 -13.074   2.223  -1.238
  405    H    VAL  54           H        VAL  54 -13.748   3.079  -3.674
  406    HA   VAL  54           HA       VAL  54 -13.094   0.782  -5.476
  407    HB   VAL  54           HB       VAL  54 -14.834   3.209  -5.966
  408   1HG1  VAL  54          1HG1      VAL  54 -13.583   1.260  -7.912
  409   2HG1  VAL  54          3HG1      VAL  54 -15.023   2.197  -8.309
  410   3HG1  VAL  54          2HG1      VAL  54 -13.508   3.023  -7.944
  411   1HG2  VAL  54          1HG2      VAL  54 -15.249   0.210  -6.001
  412   2HG2  VAL  54          3HG2      VAL  54 -16.062   1.401  -4.985
  413   3HG2  VAL  54          2HG2      VAL  54 -16.405   1.334  -6.714
  414    H    ILE  55           H        ILE  55 -11.133   0.989  -6.438
  415    HA   ILE  55           HA       ILE  55  -9.400   3.194  -6.010
  416    HB   ILE  55           HB       ILE  55  -9.327   1.220  -8.312
  417   1HG1  ILE  55          2HG1      ILE  55  -9.487   0.257  -5.945
  418   2HG1  ILE  55          1HG1      ILE  55  -8.077  -0.233  -6.882
  419   1HG2  ILE  55          1HG2      ILE  55  -7.285   3.054  -7.042
  420   2HG2  ILE  55          3HG2      ILE  55  -6.819   1.667  -8.028
  421   3HG2  ILE  55          2HG2      ILE  55  -7.768   2.974  -8.737
  422   1HD1  ILE  55          2HD1      ILE  55  -6.774   1.605  -5.785
  423   2HD1  ILE  55          1HD1      ILE  55  -8.176   1.939  -4.768
  424   3HD1  ILE  55          3HD1      ILE  55  -7.347   0.386  -4.646
  425    H    ALA  56           H        ALA  56  -8.554   4.695  -7.708
  426    HA   ALA  56           HA       ALA  56 -10.807   5.684  -9.385
  427   1HB   ALA  56          1HB       ALA  56  -8.285   7.003  -8.353
  428   2HB   ALA  56          3HB       ALA  56  -9.351   7.766  -9.533
  429   3HB   ALA  56          2HB       ALA  56  -9.952   7.382  -7.919
  430    H    GLU  57           H        GLU  57  -7.238   5.721  -9.706
  431    HA   GLU  57           HA       GLU  57  -7.352   4.242 -12.217
  432   1HB   GLU  57          2HB       GLU  57  -7.234   7.216 -12.180
  433   2HB   GLU  57          1HB       GLU  57  -6.128   6.398 -13.285
  434   1HG   GLU  57          2HG       GLU  57  -8.382   4.995 -13.790
  435   2HG   GLU  57          1HG       GLU  57  -9.095   6.545 -13.340
  436    H    ILE  58           H        ILE  58  -5.377   3.282 -12.557
  437    HA   ILE  58           HA       ILE  58  -3.207   3.979 -10.666
  438    HB   ILE  58           HB       ILE  58  -3.466   1.676 -12.626
  439   1HG1  ILE  58          2HG1      ILE  58  -5.131   1.460 -10.896
  440   2HG1  ILE  58          1HG1      ILE  58  -3.802   0.378 -10.468
  441   1HG2  ILE  58          2HG2      ILE  58  -1.120   2.352 -12.018
  442   2HG2  ILE  58          1HG2      ILE  58  -1.526   2.061 -10.327
  443   3HG2  ILE  58          3HG2      ILE  58  -1.550   0.728 -11.481
  444   1HD1  ILE  58          3HD1      ILE  58  -2.871   2.251  -9.037
  445   2HD1  ILE  58          2HD1      ILE  58  -4.379   3.122  -9.322
  446   3HD1  ILE  58          1HD1      ILE  58  -4.400   1.578  -8.469
  447    H    VAL  59           H        VAL  59  -1.582   5.294 -11.326
  448    HA   VAL  59           HA       VAL  59  -1.291   5.882 -14.207
  449    HB   VAL  59           HB       VAL  59   0.304   7.045 -11.913
  450   1HG1  VAL  59          3HG1      VAL  59   0.860   7.306 -14.475
  451   2HG1  VAL  59          2HG1      VAL  59  -0.488   8.442 -14.452
  452   3HG1  VAL  59          1HG1      VAL  59   0.916   8.718 -13.420
  453   1HG2  VAL  59          2HG2      VAL  59  -2.445   7.730 -12.962
  454   2HG2  VAL  59          1HG2      VAL  59  -1.936   7.502 -11.288
  455   3HG2  VAL  59          3HG2      VAL  59  -1.437   8.944 -12.174
  456    H    LYS  60           H        LYS  60   0.133   3.869 -11.831
  457    HA   LYS  60           HA       LYS  60   2.586   3.555 -13.513
  458   1HB   LYS  60          2HB       LYS  60   2.202   3.740 -10.680
  459   2HB   LYS  60          1HB       LYS  60   2.817   2.129 -11.053
  460   1HG   LYS  60          2HG       LYS  60   4.780   3.408 -10.833
  461   2HG   LYS  60          1HG       LYS  60   4.517   3.379 -12.576
  462   1HD   LYS  60          2HD       LYS  60   3.080   5.560 -12.023
  463   2HD   LYS  60          1HD       LYS  60   4.182   5.634 -10.647
  464   1HE   LYS  60          2HE       LYS  60   6.060   5.914 -11.991
  465   2HE   LYS  60          1HE       LYS  60   5.304   5.141 -13.384
  466   1HZ   LYS  60          1HZ       LYS  60   3.751   7.101 -13.414
  467   2HZ   LYS  60          3HZ       LYS  60   4.793   7.851 -12.306
  468   3HZ   LYS  60          2HZ       LYS  60   5.359   7.429 -13.852
  469    H    ASN  61           H        ASN  61   2.702   1.713 -14.699
  470    HA   ASN  61           HA       ASN  61   0.709  -0.419 -14.198
  471   1HB   ASN  61          2HB       ASN  61   2.670   0.045 -16.464
  472   2HB   ASN  61          1HB       ASN  61   1.563  -1.325 -16.379
  473   1HD2  ASN  61          2HD2      ASN  61   0.192   2.141 -17.821
  474   2HD2  ASN  61          1HD2      ASN  61   1.848   1.781 -17.633
  475    H    GLU  62           H        GLU  62   1.657  -2.739 -14.598
  476    HA   GLU  62           HA       GLU  62   3.611  -3.229 -12.530
  477   1HB   GLU  62          2HB       GLU  62   2.721  -5.148 -14.700
  478   2HB   GLU  62          1HB       GLU  62   3.382  -5.558 -13.117
  479   1HG   GLU  62          2HG       GLU  62   1.439  -4.705 -11.988
  480   2HG   GLU  62          1HG       GLU  62   0.818  -3.990 -13.480
  481    H    GLY  63           H        GLY  63   5.784  -3.928 -12.769
  482   1HA   GLY  63          2HA       GLY  63   7.801  -4.386 -13.964
  483   2HA   GLY  63          1HA       GLY  63   6.962  -4.007 -15.472
  484    H    ASP  64           H        ASP  64   6.038  -1.523 -13.661
  485    HA   ASP  64           HA       ASP  64   8.112   0.234 -14.775
  486   1HB   ASP  64          2HB       ASP  64   6.085   1.287 -15.026
  487   2HB   ASP  64          1HB       ASP  64   5.405   0.585 -13.559
  488    H    THR  65           H        THR  65   8.912   2.037 -13.258
  489    HA   THR  65           HA       THR  65   9.945   0.723 -10.793
  490    HB   THR  65           HB       THR  65  11.508   1.763 -12.527
  491    HG1  THR  65           HG1      THR  65  12.267   1.393 -10.477
  492   1HG2  THR  65          2HG2      THR  65   9.792   3.858 -12.467
  493   2HG2  THR  65          1HG2      THR  65  10.999   4.417 -11.308
  494   3HG2  THR  65          3HG2      THR  65  11.480   4.007 -12.954
  495    H    VAL  66           H        VAL  66  10.035   2.039  -8.799
  496    HA   VAL  66           HA       VAL  66   7.853   4.085  -8.708
  497    HB   VAL  66           HB       VAL  66   7.348   3.304  -6.428
  498   1HG1  VAL  66          2HG1      VAL  66   7.298   1.393  -8.739
  499   2HG1  VAL  66          1HG1      VAL  66   6.762   0.829  -7.157
  500   3HG1  VAL  66          3HG1      VAL  66   5.956   2.197  -7.925
  501   1HG2  VAL  66          2HG2      VAL  66   9.685   1.490  -7.008
  502   2HG2  VAL  66          1HG2      VAL  66   9.387   2.482  -5.581
  503   3HG2  VAL  66          3HG2      VAL  66   8.449   1.012  -5.845
  504    H    LEU  67           H        LEU  67   8.156   5.715  -6.970
  505    HA   LEU  67           HA       LEU  67  11.042   6.069  -6.258
  506   1HB   LEU  67          2HB       LEU  67   9.963   7.615  -8.093
  507   2HB   LEU  67          1HB       LEU  67   9.220   8.417  -6.708
  508    HG   LEU  67           HG       LEU  67  12.049   7.888  -6.254
  509   1HD1  LEU  67          2HD1      LEU  67  11.403   8.610  -8.903
  510   2HD1  LEU  67          1HD1      LEU  67  11.959  10.092  -8.125
  511   3HD1  LEU  67          3HD1      LEU  67  12.995   8.665  -8.145
  512   1HD2  LEU  67          1HD2      LEU  67  10.314   9.519  -5.153
  513   2HD2  LEU  67          3HD2      LEU  67  11.983  10.053  -5.356
  514   3HD2  LEU  67          2HD2      LEU  67  10.741  10.589  -6.488
  515    H    SER  68           H        SER  68  11.174   7.823  -4.415
  516    HA   SER  68           HA       SER  68   9.624   6.803  -2.188
  517   1HB   SER  68          2HB       SER  68  11.910   7.584  -1.834
  518   2HB   SER  68          1HB       SER  68  11.481   9.191  -2.411
  519    HG   SER  68           HG       SER  68  10.252   7.901  -0.200
  520    H    GLY  69           H        GLY  69   7.429   7.273  -2.860
  521   1HA   GLY  69          2HA       GLY  69   5.649   8.788  -2.062
  522   2HA   GLY  69          1HA       GLY  69   6.710  10.145  -2.447
  523    H    GLU  70           H        GLU  70   6.576   7.487  -4.672
  524    HA   GLU  70           HA       GLU  70   5.568   9.255  -6.766
  525   1HB   GLU  70          2HB       GLU  70   7.300   7.489  -7.175
  526   2HB   GLU  70          1HB       GLU  70   6.066   6.264  -6.871
  527   1HG   GLU  70          2HG       GLU  70   6.013   6.480  -9.209
  528   2HG   GLU  70          1HG       GLU  70   4.697   7.536  -8.692
  529    H    LEU  71           H        LEU  71   3.424   9.622  -7.036
  530    HA   LEU  71           HA       LEU  71   1.384   8.097  -5.713
  531   1HB   LEU  71          2HB       LEU  71   1.025  10.437  -6.354
  532   2HB   LEU  71          1HB       LEU  71   1.181  10.010  -8.058
  533    HG   LEU  71           HG       LEU  71  -0.812   8.453  -6.505
  534   1HD1  LEU  71          3HD1      LEU  71  -1.205  11.372  -7.232
  535   2HD1  LEU  71          2HD1      LEU  71  -2.501  10.275  -6.754
  536   3HD1  LEU  71          1HD1      LEU  71  -1.224  10.686  -5.607
  537   1HD2  LEU  71          1HD2      LEU  71  -0.131   8.907  -9.190
  538   2HD2  LEU  71          3HD2      LEU  71  -1.544   8.032  -8.601
  539   3HD2  LEU  71          2HD2      LEU  71  -1.662   9.754  -8.965
  540    H    LEU  72           H        LEU  72   0.334   6.268  -6.374
  541    HA   LEU  72           HA       LEU  72   0.875   5.323  -9.161
  542   1HB   LEU  72          2HB       LEU  72   0.234   3.625  -6.733
  543   2HB   LEU  72          1HB       LEU  72   0.727   3.051  -8.326
  544    HG   LEU  72           HG       LEU  72   2.531   5.001  -6.978
  545   1HD1  LEU  72          1HD1      LEU  72   1.622   2.738  -5.574
  546   2HD1  LEU  72          3HD1      LEU  72   3.205   2.290  -6.208
  547   3HD1  LEU  72          2HD1      LEU  72   3.035   3.722  -5.193
  548   1HD2  LEU  72          3HD2      LEU  72   2.596   2.908  -9.040
  549   2HD2  LEU  72          2HD2      LEU  72   3.627   4.325  -8.848
  550   3HD2  LEU  72          1HD2      LEU  72   3.976   2.851  -7.944
  551    H    GLY  73           H        GLY  73  -1.519   6.329  -6.953
  552   1HA   GLY  73          2HA       GLY  73  -3.647   6.340  -8.753
  553   2HA   GLY  73          1HA       GLY  73  -3.728   4.756  -7.973
  554    H    LYS  74           H        LYS  74  -5.784   6.632  -7.628
  555    HA   LYS  74           HA       LYS  74  -5.396   7.380  -4.755
  556   1HB   LYS  74          2HB       LYS  74  -7.040   8.833  -6.854
  557   2HB   LYS  74          1HB       LYS  74  -6.949   9.270  -5.147
  558   1HG   LYS  74          2HG       LYS  74  -4.334   9.246  -5.643
  559   2HG   LYS  74          1HG       LYS  74  -4.884   9.559  -7.290
  560   1HD   LYS  74          2HD       LYS  74  -6.408  11.231  -5.564
  561   2HD   LYS  74          1HD       LYS  74  -4.717  11.395  -5.090
  562   1HE   LYS  74          2HE       LYS  74  -4.404  11.491  -7.756
  563   2HE   LYS  74          1HE       LYS  74  -6.046  12.126  -7.654
  564   1HZ   LYS  74          1HZ       LYS  74  -4.691  13.392  -5.648
  565   2HZ   LYS  74          3HZ       LYS  74  -3.578  13.363  -6.929
  566   3HZ   LYS  74          2HZ       LYS  74  -5.112  14.060  -7.152
  567    H    LEU  75           H        LEU  75  -7.157   6.929  -3.377
  568    HA   LEU  75           HA       LEU  75  -9.072   4.947  -4.457
  569   1HB   LEU  75          2HB       LEU  75  -7.803   4.565  -2.302
  570   2HB   LEU  75          1HB       LEU  75  -8.743   5.878  -1.592
  571    HG   LEU  75           HG       LEU  75 -10.571   4.137  -2.915
  572   1HD1  LEU  75          3HD1      LEU  75  -8.467   2.585  -2.490
  573   2HD1  LEU  75          2HD1      LEU  75  -9.069   2.588  -0.831
  574   3HD1  LEU  75          1HD1      LEU  75 -10.093   1.998  -2.141
  575   1HD2  LEU  75          3HD2      LEU  75 -10.290   5.548  -0.505
  576   2HD2  LEU  75          2HD2      LEU  75 -11.701   4.622  -1.020
  577   3HD2  LEU  75          1HD2      LEU  75 -10.464   3.861  -0.020
  578    H    THR  76           H        THR  76 -11.344   5.232  -4.317
  579    HA   THR  76           HA       THR  76 -12.188   8.077  -3.983
  580    HB   THR  76           HB       THR  76 -12.543   6.764  -6.195
  581    HG1  THR  76           HG1      THR  76 -13.521   8.728  -5.821
  582   1HG2  THR  76          1HG2      THR  76 -13.745   4.949  -4.525
  583   2HG2  THR  76          3HG2      THR  76 -15.129   5.845  -5.148
  584   3HG2  THR  76          2HG2      THR  76 -14.021   5.048  -6.264
  585    H    GLU  77           H        GLU  77 -14.939   7.458  -3.822
  586    HA   GLU  77           HA       GLU  77 -15.104   6.826  -0.958
  587   1HB   GLU  77          2HB       GLU  77 -17.307   7.488  -2.937
  588   2HB   GLU  77          1HB       GLU  77 -17.466   7.451  -1.181
  589   1HG   GLU  77          2HG       GLU  77 -16.122   9.358  -0.890
  590   2HG   GLU  77          1HG       GLU  77 -15.390   9.198  -2.488
  591    H    GLY  78           H        GLY  78 -17.102   5.354  -0.352
  592   1HA   GLY  78          2HA       GLY  78 -17.801   3.215  -2.154
  593   2HA   GLY  78          1HA       GLY  78 -16.531   2.698  -1.045
  594    H    GLY  79           HN       GLY  79 -19.542   2.078  -1.304
  595   1HA   GLY  79          2HA       GLY  79 -20.920   1.200   0.466
  596   2HA   GLY  79          1HA       GLY  79 -20.060   2.232   1.610
   
  No H/Q in entry =         596
  Start of MODEL   22
    1   1H    ALA   1          1H        ALA   1 -11.018   9.375   2.099
    2   2H    ALA   1          3H        ALA   1 -10.781  10.844   1.284
    3   3H    ALA   1          2H        ALA   1 -12.111   9.861   0.893
    4    HA   ALA   1           HA       ALA   1 -10.825   8.289  -0.192
    5   1HB   ALA   1          2HB       ALA   1  -9.959  11.120  -0.652
    6   2HB   ALA   1          1HB       ALA   1  -9.100   9.831  -1.496
    7   3HB   ALA   1          3HB       ALA   1 -10.838  10.031  -1.726
    8    H    ILE   2           H        ILE   2  -8.809   7.174  -0.447
    9    HA   ILE   2           HA       ILE   2  -6.805   7.825   1.679
   10    HB   ILE   2           HB       ILE   2  -7.275   5.089   0.477
   11   1HG1  ILE   2          2HG1      ILE   2  -9.373   5.788   1.508
   12   2HG1  ILE   2          1HG1      ILE   2  -8.579   4.620   2.565
   13   1HG2  ILE   2          3HG2      ILE   2  -5.729   6.242   2.780
   14   2HG2  ILE   2          2HG2      ILE   2  -6.310   4.580   2.874
   15   3HG2  ILE   2          1HG2      ILE   2  -5.217   5.059   1.577
   16   1HD1  ILE   2          2HD1      ILE   2  -8.243   7.609   2.892
   17   2HD1  ILE   2          1HD1      ILE   2  -9.499   6.693   3.725
   18   3HD1  ILE   2          3HD1      ILE   2  -7.800   6.342   4.035
   19    H    ASP   3           H        ASP   3  -5.344   9.011   0.433
   20    HA   ASP   3           HA       ASP   3  -4.605   8.428  -2.254
   21   1HB   ASP   3          2HB       ASP   3  -4.108  10.560  -0.967
   22   2HB   ASP   3          1HB       ASP   3  -2.802   9.678  -0.165
   23    H    ILE   4           H        ILE   4  -3.130   6.995  -3.111
   24    HA   ILE   4           HA       ILE   4  -1.680   5.256  -1.156
   25    HB   ILE   4           HB       ILE   4  -2.656   4.610  -3.955
   26   1HG1  ILE   4          2HG1      ILE   4  -3.540   3.403  -1.325
   27   2HG1  ILE   4          1HG1      ILE   4  -4.357   4.793  -2.041
   28   1HG2  ILE   4          3HG2      ILE   4  -0.477   3.534  -2.717
   29   2HG2  ILE   4          2HG2      ILE   4  -1.753   2.476  -2.115
   30   3HG2  ILE   4          1HG2      ILE   4  -1.496   2.648  -3.851
   31   1HD1  ILE   4          3HD1      ILE   4  -4.078   2.963  -4.147
   32   2HD1  ILE   4          2HD1      ILE   4  -4.555   1.986  -2.759
   33   3HD1  ILE   4          1HD1      ILE   4  -5.562   3.341  -3.272
   34    H    LYS   5           H        LYS   5   0.491   5.549  -1.181
   35    HA   LYS   5           HA       LYS   5   1.745   6.462  -3.741
   36   1HB   LYS   5          2HB       LYS   5   2.730   7.135  -0.956
   37   2HB   LYS   5          1HB       LYS   5   3.291   7.813  -2.486
   38   1HG   LYS   5          2HG       LYS   5   0.890   8.637  -2.831
   39   2HG   LYS   5          1HG       LYS   5   0.622   8.239  -1.133
   40   1HD   LYS   5          2HD       LYS   5   1.291  10.442  -0.913
   41   2HD   LYS   5          1HD       LYS   5   2.860   9.642  -0.814
   42   1HE   LYS   5          2HE       LYS   5   3.491  10.306  -2.934
   43   2HE   LYS   5          1HE       LYS   5   1.831  10.355  -3.527
   44   1HZ   LYS   5          1HZ       LYS   5   2.318  12.231  -1.418
   45   2HZ   LYS   5          3HZ       LYS   5   3.312  12.503  -2.765
   46   3HZ   LYS   5          2HZ       LYS   5   1.622  12.477  -2.949
   47    H    ALA   6           H        ALA   6   4.285   6.022  -3.494
   48    HA   ALA   6           HA       ALA   6   4.509   3.125  -3.054
   49   1HB   ALA   6          2HB       ALA   6   6.105   5.237  -4.392
   50   2HB   ALA   6          1HB       ALA   6   7.031   3.910  -3.690
   51   3HB   ALA   6          3HB       ALA   6   5.786   3.577  -4.896
   52    HA   PRO   7           HA       PRO   7   6.498   3.318   0.852
   53   1HB   PRO   7          2HB       PRO   7   8.283   1.239   0.624
   54   2HB   PRO   7          1HB       PRO   7   6.537   1.013   0.828
   55   1HG   PRO   7          2HG       PRO   7   8.201   0.665  -1.623
   56   2HG   PRO   7          1HG       PRO   7   6.669  -0.110  -1.188
   57   1HD   PRO   7          2HD       PRO   7   6.983   2.045  -2.999
   58   2HD   PRO   7          1HD       PRO   7   5.447   1.479  -2.302
   59    H    THR   8           H        THR   8   7.915   4.942   1.394
   60    HA   THR   8           HA       THR   8   9.998   5.949  -0.213
   61    HB   THR   8           HB       THR   8   9.367   7.339   1.574
   62    HG1  THR   8           HG1      THR   8  11.719   6.966   1.324
   63   1HG2  THR   8          3HG2      THR   8   9.291   4.777   3.042
   64   2HG2  THR   8          2HG2      THR   8   9.827   6.162   3.994
   65   3HG2  THR   8          1HG2      THR   8   8.255   6.197   3.197
   66    H    PHE   9           H        PHE   9  12.119   5.349  -0.531
   67    HA   PHE   9           HA       PHE   9  12.957   2.769   0.668
   68   1HB   PHE   9          2HB       PHE   9  14.442   4.348  -1.439
   69   2HB   PHE   9          1HB       PHE   9  14.546   2.618  -1.098
   70    HD1  PHE   9           HD2      PHE   9  12.259   1.296  -1.288
   71    HD2  PHE   9           HD1      PHE   9  13.066   5.068  -3.182
   72    HE1  PHE   9           HE2      PHE   9  10.442   0.863  -2.922
   73    HE2  PHE   9           HE1      PHE   9  11.249   4.635  -4.817
   74    HZ   PHE   9           HZ       PHE   9   9.938   2.532  -4.687
   75    HA   PRO  10           HA       PRO  10  15.845   4.687   3.360
   76   1HB   PRO  10          2HB       PRO  10  17.657   2.631   3.584
   77   2HB   PRO  10          1HB       PRO  10  16.069   2.627   4.371
   78   1HG   PRO  10          2HG       PRO  10  16.980   1.102   1.975
   79   2HG   PRO  10          1HG       PRO  10  15.709   0.703   3.142
   80   1HD   PRO  10          2HD       PRO  10  15.307   1.773   0.550
   81   2HD   PRO  10          1HD       PRO  10  14.090   1.679   1.844
   82    H    GLU  11           H        GLU  11  18.446   4.834   3.531
   83    HA   GLU  11           HA       GLU  11  19.351   6.263   1.233
   84   1HB   GLU  11          2HB       GLU  11  21.489   6.380   2.347
   85   2HB   GLU  11          1HB       GLU  11  20.243   6.495   3.590
   86   1HG   GLU  11          2HG       GLU  11  20.467   4.028   3.968
   87   2HG   GLU  11          1HG       GLU  11  21.819   4.019   2.834
   88    H    SER  12           H        SER  12  20.036   2.946   2.348
   89    HA   SER  12           HA       SER  12  21.956   2.107   0.566
   90   1HB   SER  12          2HB       SER  12  20.123   0.833   2.229
   91   2HB   SER  12          1HB       SER  12  19.750   0.191   0.627
   92    HG   SER  12           HG       SER  12  21.535  -0.784   2.018
   93    H    ILE  13           H        ILE  13  18.531   1.447  -0.210
   94    HA   ILE  13           HA       ILE  13  19.213   1.638  -3.082
   95    HB   ILE  13           HB       ILE  13  16.513   0.987  -1.882
   96   1HG1  ILE  13          2HG1      ILE  13  17.801  -1.392  -2.656
   97   2HG1  ILE  13          1HG1      ILE  13  19.000  -0.502  -1.715
   98   1HG2  ILE  13          2HG2      ILE  13  17.825   0.813  -4.553
   99   2HG2  ILE  13          1HG2      ILE  13  16.735  -0.500  -4.109
  100   3HG2  ILE  13          3HG2      ILE  13  16.145   1.161  -4.146
  101   1HD1  ILE  13          2HD1      ILE  13  16.836  -0.100  -0.155
  102   2HD1  ILE  13          1HD1      ILE  13  16.396  -1.656  -0.859
  103   3HD1  ILE  13          3HD1      ILE  13  17.904  -1.490   0.040
  104    H    ALA  14           H        ALA  14  17.582   2.843  -4.495
  105    HA   ALA  14           HA       ALA  14  16.377   5.186  -3.119
  106   1HB   ALA  14          2HB       ALA  14  18.777   5.239  -4.751
  107   2HB   ALA  14          1HB       ALA  14  17.505   6.224  -5.475
  108   3HB   ALA  14          3HB       ALA  14  18.035   6.543  -3.824
  109    H    ASP  15           H        ASP  15  14.994   3.002  -4.179
  110    HA   ASP  15           HA       ASP  15  13.032   4.159  -5.793
  111   1HB   ASP  15          2HB       ASP  15  13.729   2.904  -8.008
  112   2HB   ASP  15          1HB       ASP  15  14.381   4.505  -7.660
  113    H    GLY  16           H        GLY  16  12.120   2.130  -7.378
  114   1HA   GLY  16          2HA       GLY  16  12.446  -0.488  -6.185
  115   2HA   GLY  16          1HA       GLY  16  10.959   0.288  -5.638
  116    H    THR  17           H        THR  17  10.099  -1.702  -6.876
  117    HA   THR  17           HA       THR  17   9.319  -0.779  -9.572
  118    HB   THR  17           HB       THR  17  10.498  -3.540  -9.148
  119    HG1  THR  17           HG1      THR  17  12.333  -2.616  -9.479
  120   1HG2  THR  17          1HG2      THR  17   8.691  -2.868 -10.989
  121   2HG2  THR  17          3HG2      THR  17  10.120  -2.234 -11.807
  122   3HG2  THR  17          2HG2      THR  17  10.036  -3.941 -11.372
  123    H    VAL  18           H        VAL  18   7.160  -1.130  -9.782
  124    HA   VAL  18           HA       VAL  18   5.534  -2.267  -7.798
  125    HB   VAL  18           HB       VAL  18   4.915  -2.270 -10.767
  126   1HG1  VAL  18          2HG1      VAL  18   3.313  -2.455  -8.230
  127   2HG1  VAL  18          1HG1      VAL  18   2.590  -1.734  -9.667
  128   3HG1  VAL  18          3HG1      VAL  18   3.162  -3.401  -9.711
  129   1HG2  VAL  18          2HG2      VAL  18   5.687  -0.077  -9.260
  130   2HG2  VAL  18          1HG2      VAL  18   4.704  -0.012 -10.722
  131   3HG2  VAL  18          3HG2      VAL  18   3.929  -0.035  -9.139
  132    H    ALA  19           H        ALA  19   4.121  -4.298  -8.150
  133    HA   ALA  19           HA       ALA  19   5.892  -6.513  -9.103
  134   1HB   ALA  19          2HB       ALA  19   3.757  -6.518  -6.948
  135   2HB   ALA  19          1HB       ALA  19   4.659  -7.939  -7.473
  136   3HB   ALA  19          3HB       ALA  19   5.500  -6.603  -6.688
  137    H    THR  20           H        THR  20   2.409  -6.376  -8.337
  138    HA   THR  20           HA       THR  20   1.684  -6.716 -11.157
  139    HB   THR  20           HB       THR  20   1.376  -8.976  -9.161
  140    HG1  THR  20           HG1      THR  20   2.343  -9.194 -11.774
  141   1HG2  THR  20          1HG2      THR  20   0.117  -8.585 -11.889
  142   2HG2  THR  20          3HG2      THR  20   0.131 -10.114 -11.010
  143   3HG2  THR  20          2HG2      THR  20  -0.728  -8.724 -10.347
  144    H    TRP  21           H        TRP  21  -0.354  -5.886 -11.462
  145    HA   TRP  21           HA       TRP  21  -1.831  -4.990  -9.080
  146   1HB   TRP  21          2HB       TRP  21  -1.818  -4.372 -11.999
  147   2HB   TRP  21          1HB       TRP  21  -3.320  -4.115 -11.117
  148    HD1  TRP  21           HD1      TRP  21   0.126  -2.704 -11.611
  149    HE1  TRP  21           HE1      TRP  21   0.390  -0.556 -10.200
  150    HE3  TRP  21           HE3      TRP  21  -4.119  -2.961  -8.780
  151    HZ2  TRP  21           HZ2      TRP  21  -0.987   0.849  -8.174
  152    HZ3  TRP  21           HZ3      TRP  21  -4.620  -1.194  -7.109
  153    HH2  TRP  21           HH2      TRP  21  -3.059   0.713  -6.802
  154    H    HIS  22           H        HIS  22  -2.559  -7.121  -8.380
  155    HA   HIS  22           HA       HIS  22  -3.866  -9.098  -9.827
  156   1HB   HIS  22          2HB       HIS  22  -5.241  -8.221  -7.313
  157   2HB   HIS  22          1HB       HIS  22  -4.812  -9.849  -7.846
  158    HD1  HIS  22           HD1      HIS  22  -3.306  -6.745  -6.330
  159    HD2  HIS  22           HD2      HIS  22  -2.244 -10.709  -7.052
  160    HE1  HIS  22           HE1      HIS  22  -1.071  -7.095  -5.227
  161    H    LYS  23           H        LYS  23  -5.748  -6.527  -8.189
  162    HA   LYS  23           HA       LYS  23  -7.905  -6.915 -10.168
  163   1HB   LYS  23          2HB       LYS  23  -7.794  -4.968  -7.847
  164   2HB   LYS  23          1HB       LYS  23  -9.228  -5.489  -8.731
  165   1HG   LYS  23          2HG       LYS  23  -8.402  -7.899  -7.993
  166   2HG   LYS  23          1HG       LYS  23  -7.598  -6.986  -6.715
  167   1HD   LYS  23          2HD       LYS  23  -9.636  -7.305  -5.689
  168   2HD   LYS  23          1HD       LYS  23 -10.002  -5.819  -6.567
  169   1HE   LYS  23          2HE       LYS  23 -11.533  -6.866  -7.847
  170   2HE   LYS  23          1HE       LYS  23 -10.393  -8.147  -8.258
  171   1HZ   LYS  23          1HZ       LYS  23 -10.871  -9.015  -5.932
  172   2HZ   LYS  23          3HZ       LYS  23 -12.217  -7.983  -5.939
  173   3HZ   LYS  23          2HZ       LYS  23 -12.086  -9.217  -7.101
  174    H    LYS  24           H        LYS  24  -8.964  -4.451 -10.532
  175    HA   LYS  24           HA       LYS  24  -6.733  -2.775 -11.600
  176   1HB   LYS  24          2HB       LYS  24  -8.547  -2.291 -13.485
  177   2HB   LYS  24          1HB       LYS  24  -7.461  -3.675 -13.610
  178   1HG   LYS  24          2HG       LYS  24  -9.167  -5.138 -12.635
  179   2HG   LYS  24          1HG       LYS  24 -10.250  -3.762 -12.420
  180   1HD   LYS  24          2HD       LYS  24 -10.901  -3.805 -14.585
  181   2HD   LYS  24          1HD       LYS  24  -9.243  -3.986 -15.160
  182   1HE   LYS  24          2HE       LYS  24  -9.513  -6.204 -15.452
  183   2HE   LYS  24          1HE       LYS  24 -10.135  -6.397 -13.813
  184   1HZ   LYS  24          1HZ       LYS  24 -11.862  -5.193 -15.857
  185   2HZ   LYS  24          3HZ       LYS  24 -11.642  -6.875 -15.866
  186   3HZ   LYS  24          2HZ       LYS  24 -12.283  -6.111 -14.490
  187    HA   PRO  25           HA       PRO  25  -8.924   0.611  -9.880
  188   1HB   PRO  25          2HB       PRO  25  -8.361   2.586 -11.708
  189   2HB   PRO  25          1HB       PRO  25  -7.178   1.960 -10.546
  190   1HG   PRO  25          2HG       PRO  25  -7.384   1.445 -13.479
  191   2HG   PRO  25          1HG       PRO  25  -5.956   1.410 -12.432
  192   1HD   PRO  25          2HD       PRO  25  -7.367  -0.851 -13.364
  193   2HD   PRO  25          1HD       PRO  25  -6.180  -0.839 -12.043
  194    H    GLY  26           H        GLY  26 -11.155   0.174 -10.034
  195   1HA   GLY  26          2HA       GLY  26 -12.960   1.683 -11.337
  196   2HA   GLY  26          1HA       GLY  26 -12.526   0.553 -12.625
  197    H    GLU  27           H        GLU  27 -12.049  -1.455 -10.283
  198    HA   GLU  27           HA       GLU  27 -14.836  -2.456 -10.307
  199   1HB   GLU  27          2HB       GLU  27 -12.320  -3.778  -9.243
  200   2HB   GLU  27          1HB       GLU  27 -13.880  -4.555  -9.517
  201   1HG   GLU  27          2HG       GLU  27 -12.543  -3.132 -11.794
  202   2HG   GLU  27          1HG       GLU  27 -11.983  -4.741 -11.339
  203    H    ALA  28           H        ALA  28 -15.278  -3.723  -8.051
  204    HA   ALA  28           HA       ALA  28 -15.274  -1.584  -6.022
  205   1HB   ALA  28          1HB       ALA  28 -17.285  -3.075  -6.582
  206   2HB   ALA  28          3HB       ALA  28 -16.434  -4.361  -5.728
  207   3HB   ALA  28          2HB       ALA  28 -16.901  -2.892  -4.871
  208    H    VAL  29           H        VAL  29 -14.581  -2.065  -3.783
  209    HA   VAL  29           HA       VAL  29 -12.648  -4.303  -3.521
  210    HB   VAL  29           HB       VAL  29 -11.970  -1.400  -2.954
  211   1HG1  VAL  29          3HG1      VAL  29 -10.353  -3.945  -2.616
  212   2HG1  VAL  29          2HG1      VAL  29  -9.734  -2.309  -2.388
  213   3HG1  VAL  29          1HG1      VAL  29 -10.981  -2.939  -1.310
  214   1HG2  VAL  29          3HG2      VAL  29 -10.885  -3.363  -5.001
  215   2HG2  VAL  29          2HG2      VAL  29 -11.917  -1.977  -5.355
  216   3HG2  VAL  29          1HG2      VAL  29 -10.285  -1.726  -4.736
  217    H    LYS  30           H        LYS  30 -12.150  -4.777  -1.262
  218    HA   LYS  30           HA       LYS  30 -13.875  -3.398   0.732
  219   1HB   LYS  30          2HB       LYS  30 -14.982  -5.518  -0.227
  220   2HB   LYS  30          1HB       LYS  30 -13.719  -6.413   0.618
  221   1HG   LYS  30          2HG       LYS  30 -14.412  -5.073   2.708
  222   2HG   LYS  30          1HG       LYS  30 -15.861  -4.642   1.798
  223   1HD   LYS  30          2HD       LYS  30 -16.072  -7.200   1.363
  224   2HD   LYS  30          1HD       LYS  30 -14.958  -7.364   2.720
  225   1HE   LYS  30          2HE       LYS  30 -16.472  -6.191   4.194
  226   2HE   LYS  30          1HE       LYS  30 -17.533  -5.774   2.848
  227   1HZ   LYS  30          1HZ       LYS  30 -17.222  -8.516   2.763
  228   2HZ   LYS  30          3HZ       LYS  30 -17.470  -8.143   4.398
  229   3HZ   LYS  30          2HZ       LYS  30 -18.608  -7.655   3.236
  230    H    ARG  31           H        ARG  31 -12.944  -3.327   2.785
  231    HA   ARG  31           HA       ARG  31 -10.220  -3.391   3.162
  232   1HB   ARG  31          2HB       ARG  31 -12.138  -2.732   4.808
  233   2HB   ARG  31          1HB       ARG  31 -11.997  -4.398   5.371
  234   1HG   ARG  31          2HG       ARG  31  -9.354  -3.470   5.179
  235   2HG   ARG  31          1HG       ARG  31 -10.257  -2.140   5.904
  236   1HD   ARG  31          2HD       ARG  31 -10.009  -4.981   6.896
  237   2HD   ARG  31          1HD       ARG  31  -9.590  -3.491   7.741
  238    HE   ARG  31           HE       ARG  31 -12.335  -3.305   7.211
  239   1HH1  ARG  31          1HH2      ARG  31 -10.462  -3.900   9.784
  240   2HH1  ARG  31          2HH2      ARG  31 -11.484  -5.066  10.556
  241   1HH2  ARG  31          2HH1      ARG  31 -13.546  -5.474   7.799
  242   2HH2  ARG  31          1HH1      ARG  31 -13.231  -5.957   9.432
  243    H    ASP  32           H        ASP  32  -8.711  -4.956   3.982
  244    HA   ASP  32           HA       ASP  32  -7.801  -7.106   4.244
  245   1HB   ASP  32          2HB       ASP  32  -9.972  -7.348   5.654
  246   2HB   ASP  32          1HB       ASP  32 -10.600  -8.224   4.258
  247    H    GLU  33           H        GLU  33  -8.181  -6.020   1.641
  248    HA   GLU  33           HA       GLU  33  -8.434  -8.555   0.105
  249   1HB   GLU  33          2HB       GLU  33 -10.583  -7.244  -0.057
  250   2HB   GLU  33          1HB       GLU  33  -9.662  -5.939  -0.807
  251   1HG   GLU  33          2HG       GLU  33  -9.700  -6.985  -2.799
  252   2HG   GLU  33          1HG       GLU  33  -9.032  -8.453  -2.084
  253    H    LEU  34           H        LEU  34  -6.400  -8.773  -0.712
  254    HA   LEU  34           HA       LEU  34  -4.395  -6.910  -0.986
  255   1HB   LEU  34          2HB       LEU  34  -4.133  -9.328  -1.488
  256   2HB   LEU  34          1HB       LEU  34  -5.006  -9.090  -3.002
  257    HG   LEU  34           HG       LEU  34  -3.290  -7.500  -3.759
  258   1HD1  LEU  34          2HD1      LEU  34  -2.622  -7.520  -0.966
  259   2HD1  LEU  34          1HD1      LEU  34  -1.206  -8.018  -1.891
  260   3HD1  LEU  34          3HD1      LEU  34  -1.987  -6.475  -2.237
  261   1HD2  LEU  34          1HD2      LEU  34  -2.387 -10.221  -2.807
  262   2HD2  LEU  34          3HD2      LEU  34  -2.836  -9.727  -4.439
  263   3HD2  LEU  34          2HD2      LEU  34  -1.317  -9.171  -3.735
  264    H    ILE  35           H        ILE  35  -3.565  -5.788  -2.982
  265    HA   ILE  35           HA       ILE  35  -5.652  -5.088  -4.961
  266    HB   ILE  35           HB       ILE  35  -4.267  -3.060  -3.183
  267   1HG1  ILE  35          2HG1      ILE  35  -7.176  -3.827  -3.588
  268   2HG1  ILE  35          1HG1      ILE  35  -6.213  -4.097  -2.134
  269   1HG2  ILE  35          3HG2      ILE  35  -4.902  -2.759  -5.861
  270   2HG2  ILE  35          2HG2      ILE  35  -6.328  -2.118  -5.045
  271   3HG2  ILE  35          1HG2      ILE  35  -4.735  -1.443  -4.699
  272   1HD1  ILE  35          3HD1      ILE  35  -5.867  -1.582  -2.030
  273   2HD1  ILE  35          2HD1      ILE  35  -7.083  -1.442  -3.299
  274   3HD1  ILE  35          1HD1      ILE  35  -7.519  -2.122  -1.732
  275    H    VAL  36           H        VAL  36  -2.307  -4.561  -3.842
  276    HA   VAL  36           HA       VAL  36  -1.320  -5.095  -6.545
  277    HB   VAL  36           HB       VAL  36  -1.933  -2.698  -6.696
  278   1HG1  VAL  36          2HG1      VAL  36  -1.628  -2.255  -4.237
  279   2HG1  VAL  36          1HG1      VAL  36   0.115  -2.303  -4.496
  280   3HG1  VAL  36          3HG1      VAL  36  -0.859  -1.056  -5.275
  281   1HG2  VAL  36          3HG2      VAL  36   0.712  -3.833  -7.075
  282   2HG2  VAL  36          2HG2      VAL  36  -0.163  -2.692  -8.096
  283   3HG2  VAL  36          1HG2      VAL  36   0.814  -2.102  -6.751
  284    H    ASP  37           H        ASP  37   0.747  -5.919  -6.426
  285    HA   ASP  37           HA       ASP  37   1.960  -6.056  -3.723
  286   1HB   ASP  37          2HB       ASP  37   2.181  -7.646  -6.246
  287   2HB   ASP  37          1HB       ASP  37   3.573  -7.623  -5.161
  288    H    ILE  38           H        ILE  38   4.367  -5.748  -3.584
  289    HA   ILE  38           HA       ILE  38   5.349  -3.764  -5.594
  290    HB   ILE  38           HB       ILE  38   5.922  -3.605  -2.626
  291   1HG1  ILE  38          2HG1      ILE  38   3.900  -1.969  -4.185
  292   2HG1  ILE  38          1HG1      ILE  38   3.460  -3.350  -3.180
  293   1HG2  ILE  38          1HG2      ILE  38   7.479  -2.504  -4.267
  294   2HG2  ILE  38          3HG2      ILE  38   6.119  -1.532  -4.830
  295   3HG2  ILE  38          2HG2      ILE  38   6.691  -1.371  -3.170
  296   1HD1  ILE  38          2HD1      ILE  38   5.191  -1.242  -1.961
  297   2HD1  ILE  38          1HD1      ILE  38   3.483  -0.866  -2.197
  298   3HD1  ILE  38          3HD1      ILE  38   3.953  -2.251  -1.210
  299    H    GLU  39           H        GLU  39   7.709  -3.696  -5.767
  300    HA   GLU  39           HA       GLU  39   9.037  -6.149  -4.686
  301   1HB   GLU  39          2HB       GLU  39   8.536  -5.459  -7.420
  302   2HB   GLU  39          1HB       GLU  39  10.275  -5.369  -7.137
  303   1HG   GLU  39          2HG       GLU  39   8.794  -7.713  -6.018
  304   2HG   GLU  39          1HG       GLU  39   9.101  -7.680  -7.754
  305    H    THR  40           H        THR  40  11.005  -5.770  -3.735
  306    HA   THR  40           HA       THR  40  12.206  -3.059  -4.128
  307    HB   THR  40           HB       THR  40  11.056  -3.516  -1.866
  308    HG1  THR  40           HG1      THR  40  12.536  -1.855  -2.107
  309   1HG2  THR  40          1HG2      THR  40  12.177  -5.876  -1.843
  310   2HG2  THR  40          3HG2      THR  40  13.581  -5.012  -1.217
  311   3HG2  THR  40          2HG2      THR  40  12.056  -4.974  -0.333
  312    H    ASP  41           H        ASP  41  14.556  -3.526  -2.656
  313    HA   ASP  41           HA       ASP  41  16.337  -4.591  -4.456
  314   1HB   ASP  41          2HB       ASP  41  16.947  -3.476  -2.298
  315   2HB   ASP  41          1HB       ASP  41  16.558  -4.977  -1.458
  316    H    LYS  42           H        LYS  42  15.353  -6.525  -1.607
  317    HA   LYS  42           HA       LYS  42  15.060  -8.883  -3.394
  318   1HB   LYS  42          2HB       LYS  42  16.976  -8.611  -1.081
  319   2HB   LYS  42          1HB       LYS  42  16.353 -10.190  -1.561
  320   1HG   LYS  42          2HG       LYS  42  17.507 -10.197  -3.547
  321   2HG   LYS  42          1HG       LYS  42  17.395  -8.446  -3.737
  322   1HD   LYS  42          2HD       LYS  42  19.446  -8.184  -2.852
  323   2HD   LYS  42          1HD       LYS  42  18.952  -9.043  -1.392
  324   1HE   LYS  42          2HE       LYS  42  20.636 -10.447  -2.157
  325   2HE   LYS  42          1HE       LYS  42  19.232 -11.175  -2.937
  326   1HZ   LYS  42          1HZ       LYS  42  19.915  -9.299  -4.714
  327   2HZ   LYS  42          3HZ       LYS  42  21.441  -9.711  -4.099
  328   3HZ   LYS  42          2HZ       LYS  42  20.450 -10.910  -4.782
  329    H    VAL  43           H        VAL  43  12.938  -7.529  -2.288
  330    HA   VAL  43           HA       VAL  43  11.821  -9.581  -0.508
  331    HB   VAL  43           HB       VAL  43  12.156  -6.702   0.384
  332   1HG1  VAL  43          3HG1      VAL  43  10.438  -8.954   1.445
  333   2HG1  VAL  43          2HG1      VAL  43  10.915  -7.580   2.442
  334   3HG1  VAL  43          1HG1      VAL  43   9.934  -7.324   0.999
  335   1HG2  VAL  43          1HG2      VAL  43  13.164  -9.378   1.374
  336   2HG2  VAL  43          3HG2      VAL  43  14.112  -7.962   0.917
  337   3HG2  VAL  43          2HG2      VAL  43  13.154  -7.942   2.398
  338    H    VAL  44           H        VAL  44   9.840  -9.951  -1.367
  339    HA   VAL  44           HA       VAL  44   8.550  -7.845  -2.989
  340    HB   VAL  44           HB       VAL  44   7.779 -10.731  -2.454
  341   1HG1  VAL  44          2HG1      VAL  44   6.364  -8.488  -3.701
  342   2HG1  VAL  44          1HG1      VAL  44   6.524  -9.877  -4.774
  343   3HG1  VAL  44          3HG1      VAL  44   5.748 -10.063  -3.201
  344   1HG2  VAL  44          1HG2      VAL  44   9.826  -9.713  -4.020
  345   2HG2  VAL  44          3HG2      VAL  44   9.056 -11.284  -4.246
  346   3HG2  VAL  44          2HG2      VAL  44   8.503  -9.888  -5.171
  347    H    MET  45           H        MET  45   7.178  -6.451  -2.003
  348    HA   MET  45           HA       MET  45   5.916  -7.256   0.563
  349   1HB   MET  45          2HB       MET  45   6.186  -4.584  -0.841
  350   2HB   MET  45          1HB       MET  45   5.266  -4.812   0.646
  351   1HG   MET  45          2HG       MET  45   7.698  -6.060   1.177
  352   2HG   MET  45          1HG       MET  45   8.154  -4.616   0.272
  353   1HE   MET  45          2HE       MET  45   6.287  -6.254   2.876
  354   2HE   MET  45          1HE       MET  45   7.457  -5.685   4.064
  355   3HE   MET  45          3HE       MET  45   5.797  -5.075   4.091
  356    H    GLU  46           H        GLU  46   3.605  -5.818   0.590
  357    HA   GLU  46           HA       GLU  46   2.102  -6.406  -1.887
  358   1HB   GLU  46          2HB       GLU  46   0.339  -7.604  -0.453
  359   2HB   GLU  46          1HB       GLU  46   1.814  -8.506  -0.801
  360   1HG   GLU  46          2HG       GLU  46   2.702  -7.508   1.422
  361   2HG   GLU  46          1HG       GLU  46   1.010  -7.144   1.764
  362    H    VAL  47           H        VAL  47  -0.077  -5.421  -1.818
  363    HA   VAL  47           HA       VAL  47  -0.344  -3.330   0.301
  364    HB   VAL  47           HB       VAL  47  -0.811  -2.962  -2.674
  365   1HG1  VAL  47          2HG1      VAL  47  -1.179  -1.130  -0.289
  366   2HG1  VAL  47          1HG1      VAL  47  -1.131  -0.554  -1.955
  367   3HG1  VAL  47          3HG1      VAL  47  -2.412  -1.650  -1.438
  368   1HG2  VAL  47          1HG2      VAL  47   1.536  -2.716  -1.043
  369   2HG2  VAL  47          3HG2      VAL  47   1.355  -2.350  -2.759
  370   3HG2  VAL  47          2HG2      VAL  47   1.038  -1.104  -1.552
  371    H    LEU  48           H        LEU  48  -2.141  -4.005   1.393
  372    HA   LEU  48           HA       LEU  48  -4.383  -5.222  -0.117
  373   1HB   LEU  48          2HB       LEU  48  -3.319  -5.530   2.514
  374   2HB   LEU  48          1HB       LEU  48  -4.969  -4.926   2.670
  375    HG   LEU  48           HG       LEU  48  -5.332  -6.779   0.726
  376   1HD1  LEU  48          3HD1      LEU  48  -2.736  -7.278   1.420
  377   2HD1  LEU  48          2HD1      LEU  48  -3.592  -8.372   2.506
  378   3HD1  LEU  48          1HD1      LEU  48  -3.831  -8.494   0.764
  379   1HD2  LEU  48          3HD2      LEU  48  -6.398  -6.430   3.075
  380   2HD2  LEU  48          2HD2      LEU  48  -6.425  -8.052   2.384
  381   3HD2  LEU  48          1HD2      LEU  48  -5.232  -7.639   3.615
  382    H    ALA  49           H        ALA  49  -6.645  -4.455   0.704
  383    HA   ALA  49           HA       ALA  49  -6.821  -1.599   0.162
  384   1HB   ALA  49          3HB       ALA  49  -8.531  -3.292  -0.585
  385   2HB   ALA  49          2HB       ALA  49  -9.012  -3.473   1.102
  386   3HB   ALA  49          1HB       ALA  49  -9.221  -1.923   0.286
  387    H    GLU  50           H        GLU  50  -7.102   0.041   1.639
  388    HA   GLU  50           HA       GLU  50  -6.906  -0.708   4.505
  389   1HB   GLU  50          2HB       GLU  50  -5.881   1.430   2.893
  390   2HB   GLU  50          1HB       GLU  50  -6.906   2.120   4.152
  391   1HG   GLU  50          2HG       GLU  50  -5.167  -0.042   5.119
  392   2HG   GLU  50          1HG       GLU  50  -4.279   1.351   4.499
  393    H    ALA  51           H        ALA  51  -9.385  -0.472   2.502
  394    HA   ALA  51           HA       ALA  51 -11.418  -0.172   4.364
  395   1HB   ALA  51          1HB       ALA  51 -10.270   2.438   3.510
  396   2HB   ALA  51          3HB       ALA  51 -12.030   2.332   3.566
  397   3HB   ALA  51          2HB       ALA  51 -11.080   2.004   5.015
  398    H    ASP  52           H        ASP  52 -13.399  -0.503   3.351
  399    HA   ASP  52           HA       ASP  52 -13.470  -1.336   0.660
  400   1HB   ASP  52          2HB       ASP  52 -15.305  -2.109   1.810
  401   2HB   ASP  52          1HB       ASP  52 -15.524  -0.608   2.703
  402    H    GLY  53           H        GLY  53 -14.935  -0.258  -1.040
  403   1HA   GLY  53          2HA       GLY  53 -15.760   2.201  -1.517
  404   2HA   GLY  53          1HA       GLY  53 -14.047   2.574  -1.296
  405    H    VAL  54           H        VAL  54 -13.960   3.290  -3.532
  406    HA   VAL  54           HA       VAL  54 -13.718   0.994  -5.423
  407    HB   VAL  54           HB       VAL  54 -15.119   3.635  -5.908
  408   1HG1  VAL  54          3HG1      VAL  54 -13.650   1.884  -7.741
  409   2HG1  VAL  54          2HG1      VAL  54 -15.331   2.119  -8.221
  410   3HG1  VAL  54          1HG1      VAL  54 -14.273   3.513  -8.004
  411   1HG2  VAL  54          2HG2      VAL  54 -15.987   1.013  -5.200
  412   2HG2  VAL  54          1HG2      VAL  54 -16.985   2.409  -5.605
  413   3HG2  VAL  54          3HG2      VAL  54 -16.472   1.295  -6.872
  414    H    ILE  55           H        ILE  55 -11.766   1.012  -6.440
  415    HA   ILE  55           HA       ILE  55  -9.730   2.881  -5.839
  416    HB   ILE  55           HB       ILE  55  -9.970   1.173  -8.335
  417   1HG1  ILE  55          2HG1      ILE  55 -10.241   0.002  -6.075
  418   2HG1  ILE  55          1HG1      ILE  55  -8.925  -0.584  -7.093
  419   1HG2  ILE  55          2HG2      ILE  55  -7.716   2.645  -6.983
  420   2HG2  ILE  55          1HG2      ILE  55  -7.391   1.219  -7.967
  421   3HG2  ILE  55          3HG2      ILE  55  -8.159   2.633  -8.689
  422   1HD1  ILE  55          1HD1      ILE  55  -8.594   1.475  -4.892
  423   2HD1  ILE  55          3HD1      ILE  55  -8.240  -0.244  -4.708
  424   3HD1  ILE  55          2HD1      ILE  55  -7.306   0.733  -5.842
  425    H    ALA  56           H        ALA  56  -8.712   4.470  -7.307
  426    HA   ALA  56           HA       ALA  56 -10.788   5.929  -8.860
  427   1HB   ALA  56          2HB       ALA  56  -8.089   6.785  -7.776
  428   2HB   ALA  56          1HB       ALA  56  -9.127   7.817  -8.761
  429   3HB   ALA  56          3HB       ALA  56  -9.674   7.271  -7.176
  430    H    GLU  57           H        GLU  57  -7.250   5.452  -9.200
  431    HA   GLU  57           HA       GLU  57  -7.459   4.224 -11.794
  432   1HB   GLU  57          2HB       GLU  57  -8.186   6.623 -12.270
  433   2HB   GLU  57          1HB       GLU  57  -6.539   7.106 -11.865
  434   1HG   GLU  57          2HG       GLU  57  -5.652   6.183 -13.765
  435   2HG   GLU  57          1HG       GLU  57  -6.818   4.859 -13.790
  436    H    ILE  58           H        ILE  58  -5.526   3.215 -12.175
  437    HA   ILE  58           HA       ILE  58  -3.277   3.851 -10.361
  438    HB   ILE  58           HB       ILE  58  -3.584   1.610 -12.385
  439   1HG1  ILE  58          2HG1      ILE  58  -5.277   1.350 -10.692
  440   2HG1  ILE  58          1HG1      ILE  58  -3.963   0.247 -10.270
  441   1HG2  ILE  58          2HG2      ILE  58  -1.239   2.275 -11.680
  442   2HG2  ILE  58          1HG2      ILE  58  -1.690   1.838 -10.033
  443   3HG2  ILE  58          3HG2      ILE  58  -1.684   0.612 -11.300
  444   1HD1  ILE  58          1HD1      ILE  58  -3.049   2.063  -8.763
  445   2HD1  ILE  58          3HD1      ILE  58  -4.534   2.966  -9.062
  446   3HD1  ILE  58          2HD1      ILE  58  -4.603   1.401  -8.252
  447    H    VAL  59           H        VAL  59  -1.590   5.079 -11.044
  448    HA   VAL  59           HA       VAL  59  -1.437   5.819 -13.900
  449    HB   VAL  59           HB       VAL  59   0.285   6.768 -11.592
  450   1HG1  VAL  59          1HG1      VAL  59   1.059   7.101 -14.002
  451   2HG1  VAL  59          3HG1      VAL  59  -0.356   8.132 -14.216
  452   3HG1  VAL  59          2HG1      VAL  59   0.888   8.573 -13.045
  453   1HG2  VAL  59          2HG2      VAL  59  -2.477   7.439 -12.435
  454   2HG2  VAL  59          1HG2      VAL  59  -1.703   7.634 -10.864
  455   3HG2  VAL  59          3HG2      VAL  59  -1.421   8.819 -12.139
  456    H    LYS  60           H        LYS  60   0.518   4.173 -11.433
  457    HA   LYS  60           HA       LYS  60   2.575   3.549 -13.478
  458   1HB   LYS  60          2HB       LYS  60   2.564   3.872 -10.618
  459   2HB   LYS  60          1HB       LYS  60   3.157   2.260 -11.016
  460   1HG   LYS  60          2HG       LYS  60   5.072   3.700 -11.043
  461   2HG   LYS  60          1HG       LYS  60   4.675   3.375 -12.731
  462   1HD   LYS  60          2HD       LYS  60   3.132   5.578 -12.249
  463   2HD   LYS  60          1HD       LYS  60   4.523   5.906 -11.213
  464   1HE   LYS  60          2HE       LYS  60   5.815   6.394 -12.992
  465   2HE   LYS  60          1HE       LYS  60   5.385   4.878 -13.782
  466   1HZ   LYS  60          3HZ       LYS  60   3.369   6.989 -13.732
  467   2HZ   LYS  60          2HZ       LYS  60   4.698   7.209 -14.768
  468   3HZ   LYS  60          1HZ       LYS  60   3.705   5.839 -14.933
  469    H    ASN  61           H        ASN  61   2.587   1.604 -14.509
  470    HA   ASN  61           HA       ASN  61   0.566  -0.404 -13.746
  471   1HB   ASN  61          2HB       ASN  61   2.514  -0.229 -16.063
  472   2HB   ASN  61          1HB       ASN  61   1.383  -1.562 -15.832
  473   1HD2  ASN  61          2HD2      ASN  61   0.063   1.827 -17.532
  474   2HD2  ASN  61          1HD2      ASN  61   1.717   1.494 -17.278
  475    H    GLU  62           H        GLU  62   1.163  -2.657 -13.379
  476    HA   GLU  62           HA       GLU  62   3.383  -2.967 -11.592
  477   1HB   GLU  62          2HB       GLU  62   2.871  -5.461 -11.914
  478   2HB   GLU  62          1HB       GLU  62   1.550  -4.462 -11.304
  479   1HG   GLU  62          2HG       GLU  62   0.286  -5.089 -13.054
  480   2HG   GLU  62          1HG       GLU  62   1.456  -4.342 -14.148
  481    H    GLY  63           H        GLY  63   5.426  -3.885 -11.939
  482   1HA   GLY  63          2HA       GLY  63   7.089  -5.041 -13.263
  483   2HA   GLY  63          1HA       GLY  63   6.104  -4.749 -14.702
  484    H    ASP  64           H        ASP  64   5.829  -1.874 -13.433
  485    HA   ASP  64           HA       ASP  64   8.173  -0.822 -14.900
  486   1HB   ASP  64          2HB       ASP  64   6.364   0.419 -15.587
  487   2HB   ASP  64          1HB       ASP  64   5.517   0.254 -14.050
  488    H    THR  65           H        THR  65   9.202   1.184 -13.843
  489    HA   THR  65           HA       THR  65   9.925   0.432 -11.056
  490    HB   THR  65           HB       THR  65  11.249   2.241 -13.096
  491    HG1  THR  65           HG1      THR  65  12.593   0.609 -13.322
  492   1HG2  THR  65          3HG2      THR  65  11.398   2.312 -10.229
  493   2HG2  THR  65          2HG2      THR  65  12.939   1.742 -10.871
  494   3HG2  THR  65          1HG2      THR  65  12.281   3.291 -11.401
  495    H    VAL  66           H        VAL  66   9.562   1.827  -9.337
  496    HA   VAL  66           HA       VAL  66   8.074   4.340  -9.989
  497    HB   VAL  66           HB       VAL  66   6.872   4.079  -7.919
  498   1HG1  VAL  66          1HG1      VAL  66   6.214   2.639  -9.905
  499   2HG1  VAL  66          3HG1      VAL  66   7.070   1.309  -9.127
  500   3HG1  VAL  66          2HG1      VAL  66   5.672   2.040  -8.339
  501   1HG2  VAL  66          2HG2      VAL  66   9.172   2.410  -7.268
  502   2HG2  VAL  66          1HG2      VAL  66   8.014   3.184  -6.185
  503   3HG2  VAL  66          3HG2      VAL  66   7.654   1.602  -6.876
  504    H    LEU  67           H        LEU  67   8.211   5.450  -7.390
  505    HA   LEU  67           HA       LEU  67  11.097   5.640  -6.750
  506   1HB   LEU  67          2HB       LEU  67   9.497   7.729  -8.106
  507   2HB   LEU  67          1HB       LEU  67  10.449   8.288  -6.730
  508    HG   LEU  67           HG       LEU  67  11.930   6.449  -8.465
  509   1HD1  LEU  67          3HD1      LEU  67  10.940   9.097  -9.567
  510   2HD1  LEU  67          2HD1      LEU  67  12.246   8.145 -10.274
  511   3HD1  LEU  67          1HD1      LEU  67  10.606   7.496 -10.227
  512   1HD2  LEU  67          1HD2      LEU  67  12.302   8.864  -6.847
  513   2HD2  LEU  67          3HD2      LEU  67  13.449   7.579  -7.219
  514   3HD2  LEU  67          2HD2      LEU  67  13.216   8.909  -8.354
  515    H    SER  68           H        SER  68  11.356   7.157  -4.772
  516    HA   SER  68           HA       SER  68   9.562   6.246  -2.706
  517   1HB   SER  68          2HB       SER  68  11.759   6.698  -1.974
  518   2HB   SER  68          1HB       SER  68  11.815   8.247  -2.809
  519    HG   SER  68           HG       SER  68  11.425   8.762  -0.728
  520    H    GLY  69           H        GLY  69   7.464   6.971  -2.812
  521   1HA   GLY  69          2HA       GLY  69   5.928   8.733  -2.108
  522   2HA   GLY  69          1HA       GLY  69   7.071   9.924  -2.730
  523    H    GLU  70           H        GLU  70   6.769   7.276  -4.818
  524    HA   GLU  70           HA       GLU  70   5.522   8.902  -6.866
  525   1HB   GLU  70          2HB       GLU  70   7.187   7.073  -7.317
  526   2HB   GLU  70          1HB       GLU  70   5.950   5.900  -6.863
  527   1HG   GLU  70          2HG       GLU  70   5.817   6.064  -9.237
  528   2HG   GLU  70          1HG       GLU  70   4.461   7.013  -8.627
  529    H    LEU  71           H        LEU  71   3.368   9.176  -7.184
  530    HA   LEU  71           HA       LEU  71   1.439   7.784  -5.514
  531   1HB   LEU  71          2HB       LEU  71   1.090  10.124  -6.226
  532   2HB   LEU  71          1HB       LEU  71   1.007   9.599  -7.907
  533    HG   LEU  71           HG       LEU  71  -0.794   7.998  -6.341
  534   1HD1  LEU  71          3HD1      LEU  71  -0.591  10.198  -4.935
  535   2HD1  LEU  71          2HD1      LEU  71  -1.535  10.912  -6.242
  536   3HD1  LEU  71          1HD1      LEU  71  -2.195   9.568  -5.310
  537   1HD2  LEU  71          1HD2      LEU  71  -0.742   8.726  -8.845
  538   2HD2  LEU  71          3HD2      LEU  71  -2.309   8.586  -8.047
  539   3HD2  LEU  71          2HD2      LEU  71  -1.573  10.173  -8.278
  540    H    LEU  72           H        LEU  72   0.622   5.801  -5.959
  541    HA   LEU  72           HA       LEU  72   0.902   4.729  -8.712
  542   1HB   LEU  72          2HB       LEU  72  -0.156   3.185  -6.352
  543   2HB   LEU  72          1HB       LEU  72   0.702   2.582  -7.770
  544    HG   LEU  72           HG       LEU  72   1.976   4.431  -5.739
  545   1HD1  LEU  72          2HD1      LEU  72   1.174   1.830  -5.232
  546   2HD1  LEU  72          1HD1      LEU  72   2.843   1.629  -5.764
  547   3HD1  LEU  72          3HD1      LEU  72   2.474   2.677  -4.395
  548   1HD2  LEU  72          1HD2      LEU  72   2.813   4.035  -8.208
  549   2HD2  LEU  72          3HD2      LEU  72   3.973   4.014  -6.879
  550   3HD2  LEU  72          2HD2      LEU  72   3.384   2.497  -7.559
  551    H    GLY  73           H        GLY  73  -1.494   5.913  -6.498
  552   1HA   GLY  73          2HA       GLY  73  -3.532   6.240  -8.375
  553   2HA   GLY  73          1HA       GLY  73  -3.778   4.619  -7.718
  554    H    LYS  74           H        LYS  74  -5.799   6.294  -7.206
  555    HA   LYS  74           HA       LYS  74  -5.373   7.061  -4.347
  556   1HB   LYS  74          2HB       LYS  74  -6.363   8.657  -6.596
  557   2HB   LYS  74          1HB       LYS  74  -7.478   8.640  -5.229
  558   1HG   LYS  74          2HG       LYS  74  -5.756   9.410  -3.722
  559   2HG   LYS  74          1HG       LYS  74  -4.517   9.225  -4.965
  560   1HD   LYS  74          2HD       LYS  74  -6.886  11.013  -5.455
  561   2HD   LYS  74          1HD       LYS  74  -5.512  11.602  -4.520
  562   1HE   LYS  74          2HE       LYS  74  -4.445  10.286  -6.795
  563   2HE   LYS  74          1HE       LYS  74  -5.749  11.323  -7.373
  564   1HZ   LYS  74          1HZ       LYS  74  -3.716  12.304  -5.466
  565   2HZ   LYS  74          3HZ       LYS  74  -3.454  12.352  -7.140
  566   3HZ   LYS  74          2HZ       LYS  74  -4.756  13.207  -6.461
  567    H    LEU  75           H        LEU  75  -6.898   6.252  -2.944
  568    HA   LEU  75           HA       LEU  75  -8.932   4.437  -4.084
  569   1HB   LEU  75          2HB       LEU  75  -7.474   3.768  -2.137
  570   2HB   LEU  75          1HB       LEU  75  -8.304   4.988  -1.169
  571    HG   LEU  75           HG       LEU  75 -10.301   3.451  -2.500
  572   1HD1  LEU  75          3HD1      LEU  75  -7.921   1.920  -1.775
  573   2HD1  LEU  75          2HD1      LEU  75  -9.360   1.354  -0.925
  574   3HD1  LEU  75          1HD1      LEU  75  -9.343   1.413  -2.688
  575   1HD2  LEU  75          1HD2      LEU  75 -10.102   4.668  -0.161
  576   2HD2  LEU  75          3HD2      LEU  75 -11.166   3.273  -0.343
  577   3HD2  LEU  75          2HD2      LEU  75  -9.573   3.077   0.389
  578    H    THR  76           H        THR  76 -11.132   4.828  -3.989
  579    HA   THR  76           HA       THR  76 -11.934   7.548  -3.105
  580    HB   THR  76           HB       THR  76 -13.643   5.528  -4.570
  581    HG1  THR  76           HG1      THR  76 -12.922   6.796  -6.434
  582   1HG2  THR  76          3HG2      THR  76 -13.723   8.490  -4.049
  583   2HG2  THR  76          2HG2      THR  76 -14.551   7.808  -5.450
  584   3HG2  THR  76          1HG2      THR  76 -14.997   7.292  -3.823
  585    H    GLU  77           H        GLU  77 -14.227   7.606  -2.082
  586    HA   GLU  77           HA       GLU  77 -14.176   5.800   0.238
  587   1HB   GLU  77          2HB       GLU  77 -16.166   7.986  -0.442
  588   2HB   GLU  77          1HB       GLU  77 -15.928   7.227   1.133
  589   1HG   GLU  77          2HG       GLU  77 -14.529   8.975   1.526
  590   2HG   GLU  77          1HG       GLU  77 -13.384   8.059   0.545
  591    H    GLY  78           H        GLY  78 -16.822   6.810  -1.962
  592   1HA   GLY  78          2HA       GLY  78 -17.847   4.828  -3.252
  593   2HA   GLY  78          1HA       GLY  78 -17.930   4.048  -1.671
  594    H    GLY  79           HN       GLY  79 -19.732   5.772  -3.855
  595   1HA   GLY  79          2HA       GLY  79 -21.982   6.481  -3.621
  596   2HA   GLY  79          1HA       GLY  79 -21.847   6.228  -1.880
   
  No H/Q in entry =         596
  Start of MODEL   23
    1   1H    ALA   1          2H        ALA   1  -8.617   9.841   0.574
    2   2H    ALA   1          1H        ALA   1  -9.558   8.897  -0.479
    3   3H    ALA   1          3H        ALA   1 -10.296  10.087   0.477
    4    HA   ALA   1           HA       ALA   1 -10.101   8.877   2.417
    5   1HB   ALA   1          1HB       ALA   1 -11.527   7.825   0.460
    6   2HB   ALA   1          3HB       ALA   1 -10.293   6.565   0.511
    7   3HB   ALA   1          2HB       ALA   1 -11.260   6.911   1.945
    8    H    ILE   2           H        ILE   2  -8.303   6.936  -0.008
    9    HA   ILE   2           HA       ILE   2  -6.136   6.634   2.022
   10    HB   ILE   2           HB       ILE   2  -7.148   4.389   0.254
   11   1HG1  ILE   2          2HG1      ILE   2  -7.575   4.768   3.234
   12   2HG1  ILE   2          1HG1      ILE   2  -8.798   5.135   2.017
   13   1HG2  ILE   2          1HG2      ILE   2  -5.064   4.655   2.418
   14   2HG2  ILE   2          3HG2      ILE   2  -5.801   3.093   2.061
   15   3HG2  ILE   2          2HG2      ILE   2  -4.898   3.949   0.811
   16   1HD1  ILE   2          2HD1      ILE   2  -7.915   2.575   1.339
   17   2HD1  ILE   2          1HD1      ILE   2  -7.994   2.550   3.101
   18   3HD1  ILE   2          3HD1      ILE   2  -9.425   2.971   2.160
   19    H    ASP   3           H        ASP   3  -4.595   7.875   0.989
   20    HA   ASP   3           HA       ASP   3  -4.263   7.842  -1.902
   21   1HB   ASP   3          2HB       ASP   3  -3.665   9.856  -0.702
   22   2HB   ASP   3          1HB       ASP   3  -2.552   8.959   0.337
   23    H    ILE   4           H        ILE   4  -3.301   6.189  -2.969
   24    HA   ILE   4           HA       ILE   4  -1.463   4.397  -1.478
   25    HB   ILE   4           HB       ILE   4  -2.324   3.991  -4.334
   26   1HG1  ILE   4          2HG1      ILE   4  -3.939   3.510  -1.816
   27   2HG1  ILE   4          1HG1      ILE   4  -4.413   4.444  -3.236
   28   1HG2  ILE   4          3HG2      ILE   4  -0.775   2.558  -2.489
   29   2HG2  ILE   4          2HG2      ILE   4  -2.326   1.718  -2.520
   30   3HG2  ILE   4          1HG2      ILE   4  -1.419   1.950  -4.015
   31   1HD1  ILE   4          3HD1      ILE   4  -4.004   2.169  -4.501
   32   2HD1  ILE   4          2HD1      ILE   4  -4.237   1.468  -2.899
   33   3HD1  ILE   4          1HD1      ILE   4  -5.517   2.432  -3.634
   34    H    LYS   5           H        LYS   5   0.520   5.463  -1.438
   35    HA   LYS   5           HA       LYS   5   1.665   6.192  -4.106
   36   1HB   LYS   5          2HB       LYS   5   1.262   7.985  -2.182
   37   2HB   LYS   5          1HB       LYS   5   2.779   7.325  -1.568
   38   1HG   LYS   5          2HG       LYS   5   4.000   8.257  -3.238
   39   2HG   LYS   5          1HG       LYS   5   2.796   7.855  -4.464
   40   1HD   LYS   5          2HD       LYS   5   2.758  10.218  -4.380
   41   2HD   LYS   5          1HD       LYS   5   1.372   9.735  -3.401
   42   1HE   LYS   5          2HE       LYS   5   2.685   9.999  -1.354
   43   2HE   LYS   5          1HE       LYS   5   4.119  10.400  -2.300
   44   1HZ   LYS   5          1HZ       LYS   5   2.660  12.239  -3.275
   45   2HZ   LYS   5          3HZ       LYS   5   1.646  11.971  -1.942
   46   3HZ   LYS   5          2HZ       LYS   5   3.259  12.451  -1.699
   47    H    ALA   6           H        ALA   6   4.082   5.911  -4.196
   48    HA   ALA   6           HA       ALA   6   4.823   3.268  -3.358
   49   1HB   ALA   6          1HB       ALA   6   6.149   5.548  -4.728
   50   2HB   ALA   6          3HB       ALA   6   7.218   4.393  -3.931
   51   3HB   ALA   6          2HB       ALA   6   6.097   3.843  -5.176
   52    HA   PRO   7           HA       PRO   7   6.479   4.003   0.637
   53   1HB   PRO   7          2HB       PRO   7   8.473   2.110   0.685
   54   2HB   PRO   7          1HB       PRO   7   6.750   1.720   0.814
   55   1HG   PRO   7          2HG       PRO   7   8.588   1.351  -1.505
   56   2HG   PRO   7          1HG       PRO   7   7.116   0.459  -1.087
   57   1HD   PRO   7          2HD       PRO   7   7.327   2.483  -3.057
   58   2HD   PRO   7          1HD       PRO   7   5.814   1.816  -2.399
   59    H    THR   8           H        THR   8   7.874   5.563   1.393
   60    HA   THR   8           HA       THR   8   9.788   6.872  -0.226
   61    HB   THR   8           HB       THR   8   8.861   7.886   1.816
   62    HG1  THR   8           HG1      THR   8  11.040   8.384   0.996
   63   1HG2  THR   8          3HG2      THR   8   9.549   5.398   2.950
   64   2HG2  THR   8          2HG2      THR   8  10.575   6.592   3.746
   65   3HG2  THR   8          1HG2      THR   8   8.822   6.779   3.771
   66    H    PHE   9           H        PHE   9  11.560   5.888  -1.084
   67    HA   PHE   9           HA       PHE   9  12.803   3.581   0.154
   68   1HB   PHE   9          2HB       PHE   9  13.961   5.322  -2.036
   69   2HB   PHE   9          1HB       PHE   9  14.328   3.625  -1.704
   70    HD1  PHE   9           HD1      PHE   9  11.909   2.232  -1.410
   71    HD2  PHE   9           HD2      PHE   9  12.694   5.595  -3.968
   72    HE1  PHE   9           HE1      PHE   9  10.047   1.537  -2.895
   73    HE2  PHE   9           HE2      PHE   9  10.832   4.900  -5.452
   74    HZ   PHE   9           HZ       PHE   9   9.508   2.870  -4.916
   75    HA   PRO  10           HA       PRO  10  15.410   6.058   2.792
   76   1HB   PRO  10          2HB       PRO  10  16.667   3.926   3.988
   77   2HB   PRO  10          1HB       PRO  10  15.044   4.481   4.434
   78   1HG   PRO  10          2HG       PRO  10  15.838   2.073   2.865
   79   2HG   PRO  10          1HG       PRO  10  14.386   2.347   3.842
   80   1HD   PRO  10          2HD       PRO  10  14.539   2.488   1.016
   81   2HD   PRO  10          1HD       PRO  10  13.192   3.065   2.024
   82    H    GLU  11           H        GLU  11  18.001   5.143   3.492
   83    HA   GLU  11           HA       GLU  11  19.477   5.823   1.086
   84   1HB   GLU  11          2HB       GLU  11  20.479   4.771   3.752
   85   2HB   GLU  11          1HB       GLU  11  21.472   5.514   2.497
   86   1HG   GLU  11          2HG       GLU  11  19.239   7.234   3.076
   87   2HG   GLU  11          1HG       GLU  11  20.062   6.823   4.581
   88    H    SER  12           H        SER  12  19.419   2.873   3.123
   89    HA   SER  12           HA       SER  12  21.035   1.193   1.662
   90   1HB   SER  12          2HB       SER  12  19.724   0.585   3.735
   91   2HB   SER  12          1HB       SER  12  18.314   0.355   2.699
   92    HG   SER  12           HG       SER  12  19.478  -1.593   3.050
   93    H    ILE  13           H        ILE  13  17.618   1.927   0.936
   94    HA   ILE  13           HA       ILE  13  17.831   0.426  -1.604
   95    HB   ILE  13           HB       ILE  13  15.465   2.036  -0.623
   96   1HG1  ILE  13          2HG1      ILE  13  16.176  -0.855  -0.021
   97   2HG1  ILE  13          1HG1      ILE  13  16.148   0.463   1.152
   98   1HG2  ILE  13          1HG2      ILE  13  16.045   0.169  -2.823
   99   2HG2  ILE  13          3HG2      ILE  13  14.579  -0.224  -1.925
  100   3HG2  ILE  13          2HG2      ILE  13  14.756   1.364  -2.672
  101   1HD1  ILE  13          3HD1      ILE  13  13.659   0.686   0.020
  102   2HD1  ILE  13          2HD1      ILE  13  13.909  -1.060  -0.013
  103   3HD1  ILE  13          1HD1      ILE  13  14.001  -0.185   1.516
  104    H    ALA  14           H        ALA  14  17.104   1.547  -3.635
  105    HA   ALA  14           HA       ALA  14  17.522   4.486  -3.615
  106   1HB   ALA  14          3HB       ALA  14  19.078   2.565  -5.376
  107   2HB   ALA  14          2HB       ALA  14  19.127   4.324  -5.492
  108   3HB   ALA  14          1HB       ALA  14  19.746   3.518  -4.050
  109    H    ASP  15           H        ASP  15  15.460   2.191  -4.302
  110    HA   ASP  15           HA       ASP  15  13.902   3.616  -6.153
  111   1HB   ASP  15          2HB       ASP  15  14.347   1.935  -8.147
  112   2HB   ASP  15          1HB       ASP  15  15.353   3.371  -7.954
  113    H    GLY  16           H        GLY  16  12.514   1.742  -7.520
  114   1HA   GLY  16          2HA       GLY  16  12.127  -0.707  -5.995
  115   2HA   GLY  16          1HA       GLY  16  10.858   0.481  -5.695
  116    H    THR  17           H        THR  17  10.021  -1.817  -6.837
  117    HA   THR  17           HA       THR  17   9.236  -0.911  -9.539
  118    HB   THR  17           HB       THR  17  10.556  -3.591  -9.013
  119    HG1  THR  17           HG1      THR  17  11.989  -2.731 -10.647
  120   1HG2  THR  17          2HG2      THR  17   8.550  -3.564 -10.595
  121   2HG2  THR  17          1HG2      THR  17   9.517  -2.525 -11.643
  122   3HG2  THR  17          3HG2      THR  17  10.064  -4.161 -11.275
  123    H    VAL  18           H        VAL  18   7.071  -1.230  -9.718
  124    HA   VAL  18           HA       VAL  18   5.437  -2.337  -7.735
  125    HB   VAL  18           HB       VAL  18   4.840  -2.396 -10.708
  126   1HG1  VAL  18          3HG1      VAL  18   3.219  -2.573  -8.184
  127   2HG1  VAL  18          2HG1      VAL  18   2.501  -1.859  -9.628
  128   3HG1  VAL  18          1HG1      VAL  18   3.082  -3.524  -9.663
  129   1HG2  VAL  18          1HG2      VAL  18   5.522  -0.178  -9.122
  130   2HG2  VAL  18          3HG2      VAL  18   4.726  -0.141 -10.695
  131   3HG2  VAL  18          2HG2      VAL  18   3.761  -0.147  -9.218
  132    H    ALA  19           H        ALA  19   4.030  -4.375  -8.031
  133    HA   ALA  19           HA       ALA  19   5.802  -6.614  -8.919
  134   1HB   ALA  19          3HB       ALA  19   4.780  -6.193  -6.415
  135   2HB   ALA  19          2HB       ALA  19   3.547  -7.240  -7.117
  136   3HB   ALA  19          1HB       ALA  19   5.225  -7.778  -7.048
  137    H    THR  20           H        THR  20   2.302  -6.382  -8.234
  138    HA   THR  20           HA       THR  20   1.627  -6.823 -11.048
  139    HB   THR  20           HB       THR  20   1.179  -9.008  -8.992
  140    HG1  THR  20           HG1      THR  20   3.039  -9.544  -9.813
  141   1HG2  THR  20          1HG2      THR  20  -0.571  -8.295 -10.975
  142   2HG2  THR  20          3HG2      THR  20   0.448  -9.466 -11.811
  143   3HG2  THR  20          2HG2      THR  20  -0.402  -9.931 -10.337
  144    H    TRP  21           H        TRP  21  -0.355  -5.906 -11.407
  145    HA   TRP  21           HA       TRP  21  -1.893  -4.983  -9.075
  146   1HB   TRP  21          2HB       TRP  21  -1.757  -4.351 -11.988
  147   2HB   TRP  21          1HB       TRP  21  -3.283  -4.059 -11.161
  148    HD1  TRP  21           HD1      TRP  21   0.229  -2.757 -11.496
  149    HE1  TRP  21           HE1      TRP  21   0.495  -0.621 -10.067
  150    HE3  TRP  21           HE3      TRP  21  -4.155  -2.874  -8.874
  151    HZ2  TRP  21           HZ2      TRP  21  -0.930   0.827  -8.105
  152    HZ3  TRP  21           HZ3      TRP  21  -4.677  -1.094  -7.223
  153    HH2  TRP  21           HH2      TRP  21  -3.069   0.757  -6.835
  154    H    HIS  22           H        HIS  22  -2.676  -7.107  -8.422
  155    HA   HIS  22           HA       HIS  22  -3.980  -9.047  -9.914
  156   1HB   HIS  22          2HB       HIS  22  -5.435  -8.166  -7.452
  157   2HB   HIS  22          1HB       HIS  22  -4.982  -9.794  -7.966
  158    HD1  HIS  22           HD1      HIS  22  -3.541  -6.683  -6.397
  159    HD2  HIS  22           HD2      HIS  22  -2.452 -10.651  -7.059
  160    HE1  HIS  22           HE1      HIS  22  -1.354  -7.030  -5.200
  161    H    LYS  23           H        LYS  23  -5.821  -6.384  -8.370
  162    HA   LYS  23           HA       LYS  23  -7.906  -6.736 -10.450
  163   1HB   LYS  23          2HB       LYS  23  -7.791  -5.544  -7.723
  164   2HB   LYS  23          1HB       LYS  23  -8.914  -4.806  -8.866
  165   1HG   LYS  23          2HG       LYS  23 -10.182  -6.510  -7.817
  166   2HG   LYS  23          1HG       LYS  23  -9.703  -7.209  -9.364
  167   1HD   LYS  23          2HD       LYS  23  -8.250  -8.702  -8.398
  168   2HD   LYS  23          1HD       LYS  23  -7.829  -7.601  -7.085
  169   1HE   LYS  23          2HE       LYS  23 -10.130  -7.982  -6.130
  170   2HE   LYS  23          1HE       LYS  23 -10.371  -9.228  -7.356
  171   1HZ   LYS  23          2HZ       LYS  23  -7.909  -9.722  -6.185
  172   2HZ   LYS  23          1HZ       LYS  23  -8.981  -9.403  -4.907
  173   3HZ   LYS  23          3HZ       LYS  23  -9.333 -10.633  -6.019
  174    H    LYS  24           H        LYS  24  -8.957  -4.267 -10.760
  175    HA   LYS  24           HA       LYS  24  -6.681  -2.529 -11.616
  176   1HB   LYS  24          2HB       LYS  24  -8.795  -3.768 -13.252
  177   2HB   LYS  24          1HB       LYS  24  -8.612  -2.032 -13.508
  178   1HG   LYS  24          2HG       LYS  24  -6.625  -2.291 -14.555
  179   2HG   LYS  24          1HG       LYS  24  -6.042  -3.424 -13.335
  180   1HD   LYS  24          2HD       LYS  24  -6.491  -5.182 -14.668
  181   2HD   LYS  24          1HD       LYS  24  -8.152  -4.636 -14.901
  182   1HE   LYS  24          2HE       LYS  24  -5.724  -3.674 -16.441
  183   2HE   LYS  24          1HE       LYS  24  -7.003  -4.716 -17.061
  184   1HZ   LYS  24          1HZ       LYS  24  -8.434  -2.676 -16.146
  185   2HZ   LYS  24          3HZ       LYS  24  -7.015  -1.853 -16.575
  186   3HZ   LYS  24          2HZ       LYS  24  -7.853  -2.764 -17.740
  187    HA   PRO  25           HA       PRO  25  -8.990   0.794  -9.927
  188   1HB   PRO  25          2HB       PRO  25  -8.484   2.803 -11.735
  189   2HB   PRO  25          1HB       PRO  25  -7.284   2.205 -10.574
  190   1HG   PRO  25          2HG       PRO  25  -7.469   1.703 -13.512
  191   2HG   PRO  25          1HG       PRO  25  -6.041   1.718 -12.465
  192   1HD   PRO  25          2HD       PRO  25  -7.353  -0.594 -13.408
  193   2HD   PRO  25          1HD       PRO  25  -6.185  -0.539 -12.072
  194    H    GLY  26           H        GLY  26 -11.145   1.365  -9.960
  195   1HA   GLY  26          2HA       GLY  26 -13.015   2.400 -11.255
  196   2HA   GLY  26          1HA       GLY  26 -12.535   1.374 -12.612
  197    H    GLU  27           H        GLU  27 -12.030  -0.686 -10.243
  198    HA   GLU  27           HA       GLU  27 -14.769  -1.816 -10.439
  199   1HB   GLU  27          2HB       GLU  27 -12.283  -3.138  -9.321
  200   2HB   GLU  27          1HB       GLU  27 -13.778  -3.922  -9.831
  201   1HG   GLU  27          2HG       GLU  27 -11.949  -2.358 -11.675
  202   2HG   GLU  27          1HG       GLU  27 -11.954  -4.116 -11.530
  203    H    ALA  28           H        ALA  28 -15.089  -3.284  -8.228
  204    HA   ALA  28           HA       ALA  28 -15.267  -1.234  -6.104
  205   1HB   ALA  28          2HB       ALA  28 -17.121  -2.960  -6.871
  206   2HB   ALA  28          1HB       ALA  28 -16.267  -4.041  -5.771
  207   3HB   ALA  28          3HB       ALA  28 -16.954  -2.533  -5.168
  208    H    VAL  29           H        VAL  29 -14.848  -2.160  -3.789
  209    HA   VAL  29           HA       VAL  29 -12.542  -4.035  -3.769
  210    HB   VAL  29           HB       VAL  29 -12.416  -1.473  -2.186
  211   1HG1  VAL  29          3HG1      VAL  29 -10.847  -3.817  -2.392
  212   2HG1  VAL  29          2HG1      VAL  29  -9.936  -2.544  -3.203
  213   3HG1  VAL  29          1HG1      VAL  29 -10.443  -2.334  -1.528
  214   1HG2  VAL  29          2HG2      VAL  29 -11.586  -1.956  -5.059
  215   2HG2  VAL  29          1HG2      VAL  29 -12.618  -0.669  -4.435
  216   3HG2  VAL  29          3HG2      VAL  29 -10.891  -0.669  -4.073
  217    H    LYS  30           H        LYS  30 -12.187  -4.982  -1.646
  218    HA   LYS  30           HA       LYS  30 -14.420  -4.524   0.285
  219   1HB   LYS  30          2HB       LYS  30 -13.722  -6.968  -1.177
  220   2HB   LYS  30          1HB       LYS  30 -13.791  -7.207   0.569
  221   1HG   LYS  30          2HG       LYS  30 -15.988  -5.584  -0.577
  222   2HG   LYS  30          1HG       LYS  30 -15.982  -7.287  -1.038
  223   1HD   LYS  30          2HD       LYS  30 -15.393  -7.132   1.754
  224   2HD   LYS  30          1HD       LYS  30 -16.818  -6.141   1.442
  225   1HE   LYS  30          2HE       LYS  30 -16.713  -8.799   0.104
  226   2HE   LYS  30          1HE       LYS  30 -16.982  -8.793   1.846
  227   1HZ   LYS  30          1HZ       LYS  30 -18.606  -6.814   0.918
  228   2HZ   LYS  30          3HZ       LYS  30 -18.746  -8.020  -0.268
  229   3HZ   LYS  30          2HZ       LYS  30 -19.096  -8.382   1.355
  230    H    ARG  31           H        ARG  31 -13.666  -4.169   2.321
  231    HA   ARG  31           HA       ARG  31 -11.040  -3.798   3.051
  232   1HB   ARG  31          2HB       ARG  31 -12.891  -3.232   4.544
  233   2HB   ARG  31          1HB       ARG  31 -13.244  -4.942   4.790
  234   1HG   ARG  31          2HG       ARG  31 -11.095  -5.291   5.861
  235   2HG   ARG  31          1HG       ARG  31 -10.596  -3.641   5.486
  236   1HD   ARG  31          2HD       ARG  31 -11.861  -2.731   7.161
  237   2HD   ARG  31          1HD       ARG  31 -13.149  -3.921   6.975
  238    HE   ARG  31           HE       ARG  31 -11.188  -4.081   8.966
  239   1HH1  ARG  31          2HH1      ARG  31 -13.348  -6.010   7.345
  240   2HH1  ARG  31          1HH1      ARG  31 -12.532  -7.509   7.643
  241   1HH2  ARG  31          1HH2      ARG  31  -9.682  -6.009   8.926
  242   2HH2  ARG  31          2HH2      ARG  31 -10.456  -7.508   8.539
  243    H    ASP  32           H        ASP  32  -9.302  -5.091   3.594
  244    HA   ASP  32           HA       ASP  32  -8.085  -7.062   4.041
  245   1HB   ASP  32          2HB       ASP  32 -10.350  -7.573   5.348
  246   2HB   ASP  32          1HB       ASP  32 -10.566  -8.732   4.035
  247    H    GLU  33           H        GLU  33  -8.841  -6.116   1.369
  248    HA   GLU  33           HA       GLU  33  -8.728  -8.735  -0.074
  249   1HB   GLU  33          2HB       GLU  33 -10.884  -7.443  -0.393
  250   2HB   GLU  33          1HB       GLU  33  -9.927  -6.174  -1.159
  251   1HG   GLU  33          2HG       GLU  33  -9.854  -7.321  -3.093
  252   2HG   GLU  33          1HG       GLU  33  -9.225  -8.747  -2.270
  253    H    LEU  34           H        LEU  34  -6.709  -8.964  -0.898
  254    HA   LEU  34           HA       LEU  34  -4.662  -7.129  -1.030
  255   1HB   LEU  34          2HB       LEU  34  -4.442  -9.542  -1.607
  256   2HB   LEU  34          1HB       LEU  34  -5.229  -9.218  -3.153
  257    HG   LEU  34           HG       LEU  34  -3.436  -7.661  -3.767
  258   1HD1  LEU  34          3HD1      LEU  34  -2.307  -8.405  -1.051
  259   2HD1  LEU  34          2HD1      LEU  34  -1.432  -7.495  -2.283
  260   3HD1  LEU  34          1HD1      LEU  34  -2.882  -6.813  -1.547
  261   1HD2  LEU  34          1HD2      LEU  34  -2.609 -10.410  -2.814
  262   2HD2  LEU  34          3HD2      LEU  34  -3.001  -9.899  -4.456
  263   3HD2  LEU  34          2HD2      LEU  34  -1.503  -9.358  -3.698
  264    H    ILE  35           H        ILE  35  -3.871  -5.668  -2.654
  265    HA   ILE  35           HA       ILE  35  -5.875  -4.924  -4.742
  266    HB   ILE  35           HB       ILE  35  -4.336  -3.100  -2.877
  267   1HG1  ILE  35          2HG1      ILE  35  -7.273  -3.587  -3.454
  268   2HG1  ILE  35          1HG1      ILE  35  -6.420  -3.875  -1.937
  269   1HG2  ILE  35          3HG2      ILE  35  -5.043  -2.677  -5.620
  270   2HG2  ILE  35          2HG2      ILE  35  -6.080  -1.661  -4.618
  271   3HG2  ILE  35          1HG2      ILE  35  -4.326  -1.530  -4.488
  272   1HD1  ILE  35          1HD1      ILE  35  -5.937  -1.171  -2.632
  273   2HD1  ILE  35          3HD1      ILE  35  -7.663  -1.449  -2.863
  274   3HD1  ILE  35          2HD1      ILE  35  -6.918  -1.777  -1.299
  275    H    VAL  36           H        VAL  36  -2.473  -4.593  -3.695
  276    HA   VAL  36           HA       VAL  36  -1.550  -5.248  -6.383
  277    HB   VAL  36           HB       VAL  36  -2.091  -2.886  -6.729
  278   1HG1  VAL  36          2HG1      VAL  36  -1.948  -2.277  -4.294
  279   2HG1  VAL  36          1HG1      VAL  36  -0.191  -2.325  -4.433
  280   3HG1  VAL  36          3HG1      VAL  36  -1.117  -1.140  -5.356
  281   1HG2  VAL  36          2HG2      VAL  36   0.862  -3.502  -6.424
  282   2HG2  VAL  36          1HG2      VAL  36  -0.116  -3.648  -7.885
  283   3HG2  VAL  36          3HG2      VAL  36   0.254  -2.054  -7.227
  284    H    ASP  37           H        ASP  37   0.603  -5.934  -6.327
  285    HA   ASP  37           HA       ASP  37   1.828  -6.008  -3.615
  286   1HB   ASP  37          2HB       ASP  37   2.000  -7.731  -6.059
  287   2HB   ASP  37          1HB       ASP  37   3.386  -7.683  -4.969
  288    H    ILE  38           H        ILE  38   4.238  -5.727  -3.535
  289    HA   ILE  38           HA       ILE  38   5.212  -3.876  -5.673
  290    HB   ILE  38           HB       ILE  38   5.417  -3.567  -2.668
  291   1HG1  ILE  38          2HG1      ILE  38   4.676  -1.353  -4.509
  292   2HG1  ILE  38          1HG1      ILE  38   3.505  -2.663  -4.360
  293   1HG2  ILE  38          2HG2      ILE  38   6.933  -2.154  -4.881
  294   2HG2  ILE  38          1HG2      ILE  38   6.840  -1.562  -3.222
  295   3HG2  ILE  38          3HG2      ILE  38   7.619  -3.107  -3.565
  296   1HD1  ILE  38          1HD1      ILE  38   4.745  -1.350  -1.937
  297   2HD1  ILE  38          3HD1      ILE  38   3.277  -0.724  -2.689
  298   3HD1  ILE  38          2HD1      ILE  38   3.295  -2.353  -2.012
  299    H    GLU  39           H        GLU  39   7.633  -3.757  -5.719
  300    HA   GLU  39           HA       GLU  39   8.922  -6.195  -4.576
  301   1HB   GLU  39          2HB       GLU  39   9.073  -5.202  -7.435
  302   2HB   GLU  39          1HB       GLU  39  10.187  -6.391  -6.759
  303   1HG   GLU  39          2HG       GLU  39   7.270  -6.888  -6.386
  304   2HG   GLU  39          1HG       GLU  39   7.931  -7.125  -8.004
  305    H    THR  40           H        THR  40  11.198  -5.946  -4.186
  306    HA   THR  40           HA       THR  40  12.304  -3.214  -4.588
  307    HB   THR  40           HB       THR  40  13.033  -4.339  -1.991
  308    HG1  THR  40           HG1      THR  40  11.052  -4.169  -1.053
  309   1HG2  THR  40          2HG2      THR  40  12.531  -1.799  -3.286
  310   2HG2  THR  40          1HG2      THR  40  11.709  -1.873  -1.727
  311   3HG2  THR  40          3HG2      THR  40  13.451  -2.136  -1.820
  312    H    ASP  41           H        ASP  41  14.744  -3.388  -3.595
  313    HA   ASP  41           HA       ASP  41  16.291  -4.876  -5.316
  314   1HB   ASP  41          2HB       ASP  41  16.979  -3.204  -3.424
  315   2HB   ASP  41          1HB       ASP  41  17.160  -4.661  -2.446
  316    H    LYS  42           H        LYS  42  15.773  -5.969  -1.942
  317    HA   LYS  42           HA       LYS  42  15.519  -8.749  -2.992
  318   1HB   LYS  42          2HB       LYS  42  17.208  -7.967  -0.597
  319   2HB   LYS  42          1HB       LYS  42  17.020  -9.587  -1.269
  320   1HG   LYS  42          2HG       LYS  42  17.795  -8.005  -3.448
  321   2HG   LYS  42          1HG       LYS  42  18.801  -7.448  -2.110
  322   1HD   LYS  42          2HD       LYS  42  19.095 -10.033  -1.657
  323   2HD   LYS  42          1HD       LYS  42  18.650 -10.170  -3.358
  324   1HE   LYS  42          2HE       LYS  42  20.800  -9.712  -3.857
  325   2HE   LYS  42          1HE       LYS  42  20.501  -8.071  -3.282
  326   1HZ   LYS  42          3HZ       LYS  42  20.938  -9.925  -1.147
  327   2HZ   LYS  42          2HZ       LYS  42  22.261  -9.850  -2.208
  328   3HZ   LYS  42          1HZ       LYS  42  21.691  -8.438  -1.456
  329    H    VAL  43           H        VAL  43  13.414  -7.031  -2.148
  330    HA   VAL  43           HA       VAL  43  12.360  -8.652   0.081
  331    HB   VAL  43           HB       VAL  43  12.717  -5.648   0.224
  332   1HG1  VAL  43          2HG1      VAL  43  10.741  -7.470   1.523
  333   2HG1  VAL  43          1HG1      VAL  43  11.475  -6.221   2.530
  334   3HG1  VAL  43          3HG1      VAL  43  10.580  -5.771   1.079
  335   1HG2  VAL  43          3HG2      VAL  43  13.557  -7.979   1.975
  336   2HG2  VAL  43          2HG2      VAL  43  14.615  -6.902   1.063
  337   3HG2  VAL  43          1HG2      VAL  43  13.716  -6.288   2.451
  338    H    VAL  44           H        VAL  44  10.261  -9.125  -0.373
  339    HA   VAL  44           HA       VAL  44   8.919  -7.554  -2.511
  340    HB   VAL  44           HB       VAL  44   9.103 -10.084  -2.642
  341   1HG1  VAL  44          3HG1      VAL  44   8.383 -10.039  -0.028
  342   2HG1  VAL  44          2HG1      VAL  44   6.809 -10.311  -0.773
  343   3HG1  VAL  44          1HG1      VAL  44   8.132 -11.437  -1.073
  344   1HG2  VAL  44          1HG2      VAL  44   7.288  -8.544  -3.709
  345   2HG2  VAL  44          3HG2      VAL  44   6.990 -10.282  -3.663
  346   3HG2  VAL  44          2HG2      VAL  44   6.218  -9.223  -2.483
  347    H    MET  45           H        MET  45   7.139  -6.305  -2.067
  348    HA   MET  45           HA       MET  45   6.107  -6.393   0.741
  349   1HB   MET  45          2HB       MET  45   6.515  -4.121  -1.198
  350   2HB   MET  45          1HB       MET  45   5.350  -3.979   0.120
  351   1HG   MET  45          2HG       MET  45   7.527  -4.995   1.435
  352   2HG   MET  45          1HG       MET  45   8.299  -3.987   0.211
  353   1HE   MET  45          2HE       MET  45   9.343  -2.592   1.378
  354   2HE   MET  45          1HE       MET  45   8.545  -1.149   0.757
  355   3HE   MET  45          3HE       MET  45   8.803  -1.343   2.497
  356    H    GLU  46           H        GLU  46   3.773  -5.050   0.523
  357    HA   GLU  46           HA       GLU  46   2.236  -6.040  -1.781
  358   1HB   GLU  46          2HB       GLU  46   0.574  -7.122  -0.089
  359   2HB   GLU  46          1HB       GLU  46   2.020  -8.027  -0.539
  360   1HG   GLU  46          2HG       GLU  46   3.155  -7.364   1.483
  361   2HG   GLU  46          1HG       GLU  46   1.866  -6.233   1.896
  362    H    VAL  47           H        VAL  47  -0.073  -5.264  -1.624
  363    HA   VAL  47           HA       VAL  47  -0.361  -2.936   0.220
  364    HB   VAL  47           HB       VAL  47  -0.989  -2.929  -2.748
  365   1HG1  VAL  47          2HG1      VAL  47  -2.497  -1.599  -1.157
  366   2HG1  VAL  47          1HG1      VAL  47  -1.078  -0.613  -0.806
  367   3HG1  VAL  47          3HG1      VAL  47  -1.721  -0.680  -2.447
  368   1HG2  VAL  47          3HG2      VAL  47   1.452  -2.511  -1.400
  369   2HG2  VAL  47          2HG2      VAL  47   1.083  -2.096  -3.075
  370   3HG2  VAL  47          1HG2      VAL  47   0.851  -0.901  -1.797
  371    H    LEU  48           H        LEU  48  -2.011  -3.737   1.480
  372    HA   LEU  48           HA       LEU  48  -4.278  -5.126   0.171
  373   1HB   LEU  48          2HB       LEU  48  -3.033  -5.233   2.757
  374   2HB   LEU  48          1HB       LEU  48  -4.729  -4.793   2.961
  375    HG   LEU  48           HG       LEU  48  -4.423  -7.253   2.957
  376   1HD1  LEU  48          3HD1      LEU  48  -5.838  -6.138   0.515
  377   2HD1  LEU  48          2HD1      LEU  48  -6.098  -7.747   1.189
  378   3HD1  LEU  48          1HD1      LEU  48  -6.533  -6.318   2.126
  379   1HD2  LEU  48          2HD2      LEU  48  -3.089  -6.591   0.349
  380   2HD2  LEU  48          1HD2      LEU  48  -2.588  -7.729   1.600
  381   3HD2  LEU  48          3HD2      LEU  48  -3.918  -8.138   0.517
  382    H    ALA  49           H        ALA  49  -6.522  -4.441   0.934
  383    HA   ALA  49           HA       ALA  49  -6.767  -1.533   0.576
  384   1HB   ALA  49          2HB       ALA  49  -8.546  -3.888   0.395
  385   2HB   ALA  49          1HB       ALA  49  -9.316  -2.423   1.004
  386   3HB   ALA  49          3HB       ALA  49  -8.527  -2.414  -0.574
  387    H    GLU  50           H        GLU  50  -7.303  -0.090   2.184
  388    HA   GLU  50           HA       GLU  50  -7.412  -1.166   4.948
  389   1HB   GLU  50          2HB       GLU  50  -6.326   1.196   3.720
  390   2HB   GLU  50          1HB       GLU  50  -7.505   1.674   4.943
  391   1HG   GLU  50          2HG       GLU  50  -6.189  -0.327   6.253
  392   2HG   GLU  50          1HG       GLU  50  -4.886   0.346   5.273
  393    H    ALA  51           H        ALA  51  -9.642  -0.773   2.689
  394    HA   ALA  51           HA       ALA  51 -11.891  -0.754   4.326
  395   1HB   ALA  51          1HB       ALA  51 -10.677   1.829   4.293
  396   2HB   ALA  51          3HB       ALA  51 -12.192   1.938   3.395
  397   3HB   ALA  51          2HB       ALA  51 -12.192   1.352   5.059
  398    H    ASP  52           H        ASP  52 -13.754  -0.997   3.065
  399    HA   ASP  52           HA       ASP  52 -13.442  -1.568   0.302
  400   1HB   ASP  52          2HB       ASP  52 -15.319  -2.597   1.142
  401   2HB   ASP  52          1HB       ASP  52 -15.754  -1.232   2.163
  402    H    GLY  53           H        GLY  53 -14.803  -0.400  -1.426
  403   1HA   GLY  53          2HA       GLY  53 -15.738   2.113  -1.594
  404   2HA   GLY  53          1HA       GLY  53 -14.020   2.455  -1.363
  405    H    VAL  54           H        VAL  54 -14.033   3.406  -3.532
  406    HA   VAL  54           HA       VAL  54 -13.869   1.303  -5.651
  407    HB   VAL  54           HB       VAL  54 -15.093   4.068  -5.816
  408   1HG1  VAL  54          1HG1      VAL  54 -13.597   3.648  -7.759
  409   2HG1  VAL  54          3HG1      VAL  54 -14.462   2.144  -8.076
  410   3HG1  VAL  54          2HG1      VAL  54 -15.296   3.690  -8.231
  411   1HG2  VAL  54          3HG2      VAL  54 -16.548   2.216  -5.040
  412   2HG2  VAL  54          2HG2      VAL  54 -17.047   2.805  -6.625
  413   3HG2  VAL  54          1HG2      VAL  54 -16.141   1.299  -6.490
  414    H    ILE  55           H        ILE  55 -11.902   1.280  -6.631
  415    HA   ILE  55           HA       ILE  55  -9.809   3.081  -5.870
  416    HB   ILE  55           HB       ILE  55  -9.930   1.344  -8.352
  417   1HG1  ILE  55          2HG1      ILE  55 -10.472   0.194  -6.129
  418   2HG1  ILE  55          1HG1      ILE  55  -9.100  -0.462  -7.022
  419   1HG2  ILE  55          2HG2      ILE  55  -7.803   2.842  -6.887
  420   2HG2  ILE  55          1HG2      ILE  55  -7.374   1.271  -7.562
  421   3HG2  ILE  55          3HG2      ILE  55  -7.981   2.549  -8.617
  422   1HD1  ILE  55          2HD1      ILE  55  -8.881   1.569  -4.780
  423   2HD1  ILE  55          1HD1      ILE  55  -8.606  -0.163  -4.595
  424   3HD1  ILE  55          3HD1      ILE  55  -7.541   0.794  -5.625
  425    H    ALA  56           H        ALA  56  -8.705   4.647  -7.259
  426    HA   ALA  56           HA       ALA  56 -10.636   6.111  -8.972
  427   1HB   ALA  56          2HB       ALA  56  -8.620   6.899  -7.138
  428   2HB   ALA  56          1HB       ALA  56  -8.079   7.418  -8.734
  429   3HB   ALA  56          3HB       ALA  56  -9.646   7.945  -8.119
  430    H    GLU  57           H        GLU  57  -7.100   5.600  -9.205
  431    HA   GLU  57           HA       GLU  57  -7.248   4.213 -11.724
  432   1HB   GLU  57          2HB       GLU  57  -6.248   6.101 -13.096
  433   2HB   GLU  57          1HB       GLU  57  -7.946   6.313 -12.667
  434   1HG   GLU  57          2HG       GLU  57  -6.658   7.438 -10.507
  435   2HG   GLU  57          1HG       GLU  57  -5.602   7.886 -11.848
  436    H    ILE  58           H        ILE  58  -5.212   3.388 -12.255
  437    HA   ILE  58           HA       ILE  58  -3.071   3.960 -10.284
  438    HB   ILE  58           HB       ILE  58  -3.182   1.829 -12.439
  439   1HG1  ILE  58          2HG1      ILE  58  -5.012   1.423 -10.934
  440   2HG1  ILE  58          1HG1      ILE  58  -3.707   0.338 -10.439
  441   1HG2  ILE  58          3HG2      ILE  58  -0.954   2.622 -11.312
  442   2HG2  ILE  58          2HG2      ILE  58  -1.562   1.749  -9.906
  443   3HG2  ILE  58          1HG2      ILE  58  -1.289   0.895 -11.425
  444   1HD1  ILE  58          1HD1      ILE  58  -3.007   2.104  -8.766
  445   2HD1  ILE  58          3HD1      ILE  58  -4.490   2.973  -9.162
  446   3HD1  ILE  58          2HD1      ILE  58  -4.574   1.367  -8.439
  447    H    VAL  59           H        VAL  59  -1.305   5.156 -10.830
  448    HA   VAL  59           HA       VAL  59  -1.104   6.153 -13.605
  449    HB   VAL  59           HB       VAL  59   0.483   6.853 -11.114
  450   1HG1  VAL  59          2HG1      VAL  59   1.710   7.251 -13.239
  451   2HG1  VAL  59          1HG1      VAL  59   0.354   8.215 -13.822
  452   3HG1  VAL  59          3HG1      VAL  59   1.289   8.760 -12.429
  453   1HG2  VAL  59          2HG2      VAL  59  -1.865   8.159 -12.519
  454   2HG2  VAL  59          1HG2      VAL  59  -1.808   7.561 -10.860
  455   3HG2  VAL  59          3HG2      VAL  59  -0.876   8.987 -11.317
  456    H    LYS  60           H        LYS  60   0.563   3.996 -11.398
  457    HA   LYS  60           HA       LYS  60   2.679   3.575 -13.466
  458   1HB   LYS  60          2HB       LYS  60   2.944   4.024 -10.748
  459   2HB   LYS  60          1HB       LYS  60   3.072   2.269 -10.867
  460   1HG   LYS  60          2HG       LYS  60   5.233   2.625 -11.436
  461   2HG   LYS  60          1HG       LYS  60   4.604   3.141 -13.001
  462   1HD   LYS  60          2HD       LYS  60   4.280   5.376 -11.349
  463   2HD   LYS  60          1HD       LYS  60   5.864   4.730 -10.915
  464   1HE   LYS  60          2HE       LYS  60   5.938   4.525 -13.642
  465   2HE   LYS  60          1HE       LYS  60   4.968   5.983 -13.435
  466   1HZ   LYS  60          2HZ       LYS  60   7.154   5.987 -11.638
  467   2HZ   LYS  60          1HZ       LYS  60   7.713   5.758 -13.226
  468   3HZ   LYS  60          3HZ       LYS  60   6.764   7.112 -12.850
  469    H    ASN  61           H        ASN  61   2.732   1.625 -14.508
  470    HA   ASN  61           HA       ASN  61   0.628  -0.334 -13.880
  471   1HB   ASN  61          2HB       ASN  61   2.756  -0.279 -16.043
  472   2HB   ASN  61          1HB       ASN  61   1.482  -1.492 -15.919
  473   1HD2  ASN  61          2HD2      ASN  61   0.534   2.299 -17.174
  474   2HD2  ASN  61          1HD2      ASN  61   2.037   2.008 -16.421
  475    H    GLU  62           H        GLU  62   1.124  -2.605 -13.486
  476    HA   GLU  62           HA       GLU  62   3.255  -2.976 -11.581
  477   1HB   GLU  62          2HB       GLU  62   2.603  -5.451 -11.872
  478   2HB   GLU  62          1HB       GLU  62   1.345  -4.360 -11.292
  479   1HG   GLU  62          2HG       GLU  62   0.060  -4.843 -13.074
  480   2HG   GLU  62          1HG       GLU  62   1.352  -4.337 -14.168
  481    H    GLY  63           H        GLY  63   5.267  -3.954 -11.852
  482   1HA   GLY  63          2HA       GLY  63   6.919  -5.230 -13.070
  483   2HA   GLY  63          1HA       GLY  63   5.962  -5.012 -14.540
  484    H    ASP  64           H        ASP  64   5.784  -2.049 -13.395
  485    HA   ASP  64           HA       ASP  64   8.178  -1.168 -14.911
  486   1HB   ASP  64          2HB       ASP  64   6.421   0.056 -15.751
  487   2HB   ASP  64          1HB       ASP  64   5.524   0.028 -14.233
  488    H    THR  65           H        THR  65   9.223   0.890 -13.978
  489    HA   THR  65           HA       THR  65   9.981   0.287 -11.186
  490    HB   THR  65           HB       THR  65  11.671   0.820 -13.008
  491    HG1  THR  65           HG1      THR  65  12.649   2.534 -11.523
  492   1HG2  THR  65          1HG2      THR  65  10.434   3.561 -12.656
  493   2HG2  THR  65          3HG2      THR  65  11.980   3.272 -13.453
  494   3HG2  THR  65          2HG2      THR  65  10.497   2.609 -14.139
  495    H    VAL  66           H        VAL  66  10.009   2.015  -9.553
  496    HA   VAL  66           HA       VAL  66   7.994   4.159 -10.095
  497    HB   VAL  66           HB       VAL  66   7.485   3.853  -7.553
  498   1HG1  VAL  66          3HG1      VAL  66   6.593   2.234  -9.893
  499   2HG1  VAL  66          2HG1      VAL  66   6.058   1.705  -8.299
  500   3HG1  VAL  66          1HG1      VAL  66   5.667   3.328  -8.867
  501   1HG2  VAL  66          3HG2      VAL  66   8.670   1.151  -8.272
  502   2HG2  VAL  66          2HG2      VAL  66   9.357   2.299  -7.124
  503   3HG2  VAL  66          1HG2      VAL  66   7.811   1.526  -6.779
  504    H    LEU  67           H        LEU  67   8.182   5.691  -7.915
  505    HA   LEU  67           HA       LEU  67  11.069   6.139  -7.355
  506   1HB   LEU  67          2HB       LEU  67   9.341   7.822  -9.011
  507   2HB   LEU  67          1HB       LEU  67  10.057   8.711  -7.666
  508    HG   LEU  67           HG       LEU  67  11.836   6.874  -9.205
  509   1HD1  LEU  67          3HD1      LEU  67  10.326   8.382 -10.767
  510   2HD1  LEU  67          2HD1      LEU  67  11.414   9.662 -10.230
  511   3HD1  LEU  67          1HD1      LEU  67  12.059   8.250 -11.069
  512   1HD2  LEU  67          1HD2      LEU  67  12.004   9.155  -7.382
  513   2HD2  LEU  67          3HD2      LEU  67  13.224   7.942  -7.771
  514   3HD2  LEU  67          2HD2      LEU  67  13.029   9.358  -8.803
  515    H    SER  68           H        SER  68  11.150   8.122  -5.698
  516    HA   SER  68           HA       SER  68   9.648   7.278  -3.383
  517   1HB   SER  68          2HB       SER  68  11.952   8.432  -3.446
  518   2HB   SER  68          1HB       SER  68  11.061   9.935  -3.667
  519    HG   SER  68           HG       SER  68  10.642   9.892  -1.617
  520    H    GLY  69           H        GLY  69   7.599   7.857  -2.862
  521   1HA   GLY  69          2HA       GLY  69   5.677   9.208  -2.649
  522   2HA   GLY  69          1HA       GLY  69   6.602  10.551  -3.324
  523    H    GLU  70           H        GLU  70   6.560   7.571  -5.090
  524    HA   GLU  70           HA       GLU  70   5.330   8.877  -7.377
  525   1HB   GLU  70          2HB       GLU  70   7.045   7.167  -7.716
  526   2HB   GLU  70          1HB       GLU  70   6.052   5.972  -6.882
  527   1HG   GLU  70          2HG       GLU  70   5.835   5.728  -9.324
  528   2HG   GLU  70          1HG       GLU  70   4.302   6.226  -8.611
  529    H    LEU  71           H        LEU  71   3.171   9.362  -7.115
  530    HA   LEU  71           HA       LEU  71   1.303   7.833  -5.602
  531   1HB   LEU  71          2HB       LEU  71   0.825  10.140  -6.236
  532   2HB   LEU  71          1HB       LEU  71   0.849   9.704  -7.946
  533    HG   LEU  71           HG       LEU  71  -0.958   7.903  -6.836
  534   1HD1  LEU  71          2HD1      LEU  71  -0.704   9.965  -4.978
  535   2HD1  LEU  71          1HD1      LEU  71  -2.136  10.408  -5.907
  536   3HD1  LEU  71          3HD1      LEU  71  -2.058   8.842  -5.099
  537   1HD2  LEU  71          1HD2      LEU  71  -0.857   9.844  -8.842
  538   2HD2  LEU  71          3HD2      LEU  71  -2.188   8.725  -8.547
  539   3HD2  LEU  71          2HD2      LEU  71  -2.219  10.338  -7.837
  540    H    LEU  72           H        LEU  72   1.048   5.676  -6.063
  541    HA   LEU  72           HA       LEU  72   1.048   4.731  -8.845
  542   1HB   LEU  72          2HB       LEU  72   0.396   3.170  -6.331
  543   2HB   LEU  72          1HB       LEU  72   0.881   2.518  -7.896
  544    HG   LEU  72           HG       LEU  72   2.763   4.493  -6.790
  545   1HD1  LEU  72          1HD1      LEU  72   1.717   2.488  -5.041
  546   2HD1  LEU  72          3HD1      LEU  72   3.368   2.034  -5.465
  547   3HD1  LEU  72          2HD1      LEU  72   3.045   3.609  -4.741
  548   1HD2  LEU  72          3HD2      LEU  72   2.743   1.925  -8.287
  549   2HD2  LEU  72          2HD2      LEU  72   3.708   3.377  -8.557
  550   3HD2  LEU  72          1HD2      LEU  72   4.169   2.234  -7.296
  551    H    GLY  73           H        GLY  73  -1.242   5.986  -6.677
  552   1HA   GLY  73          2HA       GLY  73  -3.426   6.061  -8.329
  553   2HA   GLY  73          1HA       GLY  73  -3.521   4.429  -7.657
  554    H    LYS  74           H        LYS  74  -5.543   6.266  -7.110
  555    HA   LYS  74           HA       LYS  74  -5.050   6.833  -4.214
  556   1HB   LYS  74          2HB       LYS  74  -6.310   8.520  -6.346
  557   2HB   LYS  74          1HB       LYS  74  -6.935   8.637  -4.701
  558   1HG   LYS  74          2HG       LYS  74  -4.610   9.053  -3.890
  559   2HG   LYS  74          1HG       LYS  74  -4.060   9.058  -5.566
  560   1HD   LYS  74          2HD       LYS  74  -6.369  10.820  -4.963
  561   2HD   LYS  74          1HD       LYS  74  -4.828  11.302  -4.251
  562   1HE   LYS  74          2HE       LYS  74  -3.755  11.234  -6.449
  563   2HE   LYS  74          1HE       LYS  74  -5.254  10.666  -7.186
  564   1HZ   LYS  74          2HZ       LYS  74  -5.164  13.187  -5.652
  565   2HZ   LYS  74          1HZ       LYS  74  -4.732  13.146  -7.295
  566   3HZ   LYS  74          3HZ       LYS  74  -6.295  12.692  -6.818
  567    H    LEU  75           H        LEU  75  -6.888   6.489  -2.831
  568    HA   LEU  75           HA       LEU  75  -8.832   4.555  -3.977
  569   1HB   LEU  75          2HB       LEU  75  -7.474   4.037  -1.878
  570   2HB   LEU  75          1HB       LEU  75  -8.448   5.259  -1.059
  571    HG   LEU  75           HG       LEU  75 -10.101   3.414  -2.594
  572   1HD1  LEU  75          3HD1      LEU  75  -7.868   2.243  -1.286
  573   2HD1  LEU  75          2HD1      LEU  75  -9.280   1.907  -0.284
  574   3HD1  LEU  75          1HD1      LEU  75  -9.264   1.417  -1.979
  575   1HD2  LEU  75          2HD2      LEU  75 -10.571   5.082  -0.607
  576   2HD2  LEU  75          1HD2      LEU  75 -11.464   3.563  -0.703
  577   3HD2  LEU  75          3HD2      LEU  75 -10.092   3.712   0.397
  578    H    THR  76           H        THR  76 -11.113   4.832  -3.585
  579    HA   THR  76           HA       THR  76 -11.865   7.689  -3.156
  580    HB   THR  76           HB       THR  76 -13.563   5.530  -4.428
  581    HG1  THR  76           HG1      THR  76 -11.842   7.419  -5.658
  582   1HG2  THR  76          2HG2      THR  76 -13.704   8.503  -4.095
  583   2HG2  THR  76          1HG2      THR  76 -14.409   7.775  -5.539
  584   3HG2  THR  76          3HG2      THR  76 -14.983   7.298  -3.941
  585    H    GLU  77           H        GLU  77 -14.184   7.874  -2.189
  586    HA   GLU  77           HA       GLU  77 -14.154   6.507   0.379
  587   1HB   GLU  77          2HB       GLU  77 -15.865   8.577  -0.943
  588   2HB   GLU  77          1HB       GLU  77 -16.527   7.709   0.442
  589   1HG   GLU  77          2HG       GLU  77 -14.428   8.293   1.712
  590   2HG   GLU  77          1HG       GLU  77 -13.964   9.322   0.357
  591    H    GLY  78           H        GLY  78 -16.330   5.490   1.148
  592   1HA   GLY  78          2HA       GLY  78 -17.072   3.448  -0.876
  593   2HA   GLY  78          1HA       GLY  78 -17.363   3.325   0.861
  594    H    GLY  79           HN       GLY  79 -19.600   2.739   0.087
  595   1HA   GLY  79          2HA       GLY  79 -21.662   4.232   0.691
  596   2HA   GLY  79          1HA       GLY  79 -21.182   5.120  -0.757
   
  No H/Q in entry =         596
  Start of MODEL   24
    1   1H    ALA   1          3H        ALA   1 -10.372  11.285   1.261
    2   2H    ALA   1          2H        ALA   1 -11.046  11.844  -0.196
    3   3H    ALA   1          1H        ALA   1 -12.020  11.042   0.943
    4    HA   ALA   1           HA       ALA   1 -11.579   9.101   0.010
    5   1HB   ALA   1          2HB       ALA   1 -10.782  11.015  -1.887
    6   2HB   ALA   1          1HB       ALA   1  -9.478   9.828  -1.856
    7   3HB   ALA   1          3HB       ALA   1 -11.132   9.313  -2.189
    8    H    ILE   2           H        ILE   2  -9.178   7.998  -1.050
    9    HA   ILE   2           HA       ILE   2  -7.248   8.278   1.206
   10    HB   ILE   2           HB       ILE   2  -8.196   5.626   0.081
   11   1HG1  ILE   2          2HG1      ILE   2  -9.919   6.879   1.442
   12   2HG1  ILE   2          1HG1      ILE   2  -9.423   5.340   2.148
   13   1HG2  ILE   2          3HG2      ILE   2  -5.876   6.380   1.522
   14   2HG2  ILE   2          2HG2      ILE   2  -6.927   5.548   2.668
   15   3HG2  ILE   2          1HG2      ILE   2  -6.439   4.744   1.177
   16   1HD1  ILE   2          3HD1      ILE   2  -7.745   7.613   2.967
   17   2HD1  ILE   2          2HD1      ILE   2  -9.426   7.746   3.484
   18   3HD1  ILE   2          1HD1      ILE   2  -8.470   6.339   3.948
   19    H    ASP   3           H        ASP   3  -5.441   8.989   0.161
   20    HA   ASP   3           HA       ASP   3  -4.863   8.056  -2.581
   21   1HB   ASP   3          2HB       ASP   3  -4.550  10.466  -1.805
   22   2HB   ASP   3          1HB       ASP   3  -3.173   9.889  -0.861
   23    H    ILE   4           H        ILE   4  -3.433   6.436  -3.014
   24    HA   ILE   4           HA       ILE   4  -1.871   5.341  -0.720
   25    HB   ILE   4           HB       ILE   4  -2.689   4.086  -3.358
   26   1HG1  ILE   4          2HG1      ILE   4  -3.559   2.656  -1.048
   27   2HG1  ILE   4          1HG1      ILE   4  -3.983   4.352  -0.811
   28   1HG2  ILE   4          3HG2      ILE   4  -0.834   3.225  -1.167
   29   2HG2  ILE   4          2HG2      ILE   4  -1.816   2.003  -1.976
   30   3HG2  ILE   4          1HG2      ILE   4  -0.691   2.991  -2.909
   31   1HD1  ILE   4          2HD1      ILE   4  -4.588   3.797  -3.505
   32   2HD1  ILE   4          1HD1      ILE   4  -5.183   2.411  -2.592
   33   3HD1  ILE   4          3HD1      ILE   4  -5.736   4.036  -2.188
   34    H    LYS   5           H        LYS   5   0.321   5.554  -0.751
   35    HA   LYS   5           HA       LYS   5   1.630   6.143  -3.372
   36   1HB   LYS   5          2HB       LYS   5   2.105   7.506  -0.707
   37   2HB   LYS   5          1HB       LYS   5   3.166   7.685  -2.105
   38   1HG   LYS   5          2HG       LYS   5   1.565   8.850  -3.340
   39   2HG   LYS   5          1HG       LYS   5   0.220   8.182  -2.413
   40   1HD   LYS   5          2HD       LYS   5   0.492  10.497  -1.760
   41   2HD   LYS   5          1HD       LYS   5   1.038   9.486  -0.421
   42   1HE   LYS   5          2HE       LYS   5   3.343   9.831  -0.985
   43   2HE   LYS   5          1HE       LYS   5   2.920  10.576  -2.526
   44   1HZ   LYS   5          1HZ       LYS   5   1.873  11.759  -0.056
   45   2HZ   LYS   5          3HZ       LYS   5   3.499  12.031  -0.455
   46   3HZ   LYS   5          2HZ       LYS   5   2.272  12.506  -1.530
   47    H    ALA   6           H        ALA   6   4.159   5.917  -2.994
   48    HA   ALA   6           HA       ALA   6   4.548   3.211  -1.911
   49   1HB   ALA   6          1HB       ALA   6   5.857   4.917  -3.852
   50   2HB   ALA   6          3HB       ALA   6   7.033   4.275  -2.704
   51   3HB   ALA   6          2HB       ALA   6   6.010   3.174  -3.626
   52    HA   PRO   7           HA       PRO   7   6.324   4.483   1.895
   53   1HB   PRO   7          2HB       PRO   7   7.980   2.336   2.350
   54   2HB   PRO   7          1HB       PRO   7   6.219   2.271   2.534
   55   1HG   PRO   7          2HG       PRO   7   7.921   1.144   0.360
   56   2HG   PRO   7          1HG       PRO   7   6.332   0.609   0.931
   57   1HD   PRO   7          2HD       PRO   7   6.829   2.132  -1.404
   58   2HD   PRO   7          1HD       PRO   7   5.243   1.872  -0.642
   59    H    THR   8           H        THR   8   8.033   5.811   2.453
   60    HA   THR   8           HA       THR   8   9.984   6.708   0.698
   61    HB   THR   8           HB       THR   8  10.854   6.436   3.533
   62    HG1  THR   8           HG1      THR   8   9.219   7.567   4.323
   63   1HG2  THR   8          2HG2      THR   8  11.747   7.923   1.525
   64   2HG2  THR   8          1HG2      THR   8  10.453   9.001   2.048
   65   3HG2  THR   8          3HG2      THR   8  11.731   8.547   3.174
   66    H    PHE   9           H        PHE   9  11.479   5.529  -0.392
   67    HA   PHE   9           HA       PHE   9  12.335   2.910   0.391
   68   1HB   PHE   9          2HB       PHE   9  13.423   4.932  -1.576
   69   2HB   PHE   9          1HB       PHE   9  14.184   3.354  -1.336
   70    HD1  PHE   9           HD1      PHE   9  12.969   1.272  -1.885
   71    HD2  PHE   9           HD2      PHE   9  11.270   5.141  -2.664
   72    HE1  PHE   9           HE1      PHE   9  11.281   0.231  -3.375
   73    HE2  PHE   9           HE2      PHE   9   9.581   4.100  -4.154
   74    HZ   PHE   9           HZ       PHE   9   9.586   1.644  -4.509
   75    HA   PRO  10           HA       PRO  10  15.492   3.898   3.285
   76   1HB   PRO  10          2HB       PRO  10  16.905   1.545   3.124
   77   2HB   PRO  10          1HB       PRO  10  15.353   1.699   3.965
   78   1HG   PRO  10          2HG       PRO  10  15.941   0.426   1.334
   79   2HG   PRO  10          1HG       PRO  10  14.634   0.083   2.478
   80   1HD   PRO  10          2HD       PRO  10  14.397   1.595   0.096
   81   2HD   PRO  10          1HD       PRO  10  13.201   1.519   1.410
   82    H    GLU  11           H        GLU  11  18.023   3.777   3.402
   83    HA   GLU  11           HA       GLU  11  19.102   5.168   1.128
   84   1HB   GLU  11          2HB       GLU  11  19.935   5.401   3.486
   85   2HB   GLU  11          1HB       GLU  11  20.633   3.786   3.352
   86   1HG   GLU  11          2HG       GLU  11  22.248   4.460   1.825
   87   2HG   GLU  11          1HG       GLU  11  21.278   5.811   1.239
   88    H    SER  12           H        SER  12  19.848   1.907   2.423
   89    HA   SER  12           HA       SER  12  21.601   0.975   0.519
   90   1HB   SER  12          2HB       SER  12  20.766  -0.379   2.427
   91   2HB   SER  12          1HB       SER  12  19.225  -0.579   1.590
   92    HG   SER  12           HG       SER  12  20.498  -1.500  -0.159
   93    H    ILE  13           H        ILE  13  18.072   1.239   0.164
   94    HA   ILE  13           HA       ILE  13  18.285   0.326  -2.648
   95    HB   ILE  13           HB       ILE  13  15.784   1.199  -1.186
   96   1HG1  ILE  13          2HG1      ILE  13  17.088  -0.606   0.040
   97   2HG1  ILE  13          1HG1      ILE  13  15.466  -1.077  -0.470
   98   1HG2  ILE  13          1HG2      ILE  13  16.413   0.202  -3.823
   99   2HG2  ILE  13          3HG2      ILE  13  15.360  -0.940  -2.987
  100   3HG2  ILE  13          2HG2      ILE  13  14.858   0.739  -3.187
  101   1HD1  ILE  13          3HD1      ILE  13  17.347  -1.603  -2.595
  102   2HD1  ILE  13          2HD1      ILE  13  17.898  -2.370  -1.105
  103   3HD1  ILE  13          1HD1      ILE  13  16.295  -2.735  -1.745
  104    H    ALA  14           H        ALA  14  17.552   1.679  -4.397
  105    HA   ALA  14           HA       ALA  14  17.410   4.587  -3.711
  106   1HB   ALA  14          3HB       ALA  14  19.389   3.228  -5.257
  107   2HB   ALA  14          2HB       ALA  14  18.443   4.231  -6.356
  108   3HB   ALA  14          1HB       ALA  14  19.242   4.960  -4.963
  109    H    ASP  15           H        ASP  15  15.570   2.150  -4.684
  110    HA   ASP  15           HA       ASP  15  13.518   3.703  -5.829
  111   1HB   ASP  15          2HB       ASP  15  13.800   2.657  -8.242
  112   2HB   ASP  15          1HB       ASP  15  14.639   4.151  -7.819
  113    H    GLY  16           H        GLY  16  12.160   2.003  -7.437
  114   1HA   GLY  16          2HA       GLY  16  12.362  -0.751  -6.431
  115   2HA   GLY  16          1HA       GLY  16  10.933   0.130  -5.889
  116    H    THR  17           H        THR  17  10.098  -1.867  -7.262
  117    HA   THR  17           HA       THR  17   9.299  -0.741  -9.873
  118    HB   THR  17           HB       THR  17  10.043  -3.581 -10.082
  119    HG1  THR  17           HG1      THR  17  12.072  -1.611  -9.904
  120   1HG2  THR  17          2HG2      THR  17  10.551  -1.072 -11.700
  121   2HG2  THR  17          1HG2      THR  17  11.071  -2.681 -12.199
  122   3HG2  THR  17          3HG2      THR  17   9.353  -2.325 -12.026
  123    H    VAL  18           H        VAL  18   7.153  -1.135 -10.161
  124    HA   VAL  18           HA       VAL  18   5.453  -2.271  -8.299
  125    HB   VAL  18           HB       VAL  18   5.105  -2.447 -11.309
  126   1HG1  VAL  18          1HG1      VAL  18   3.217  -2.661  -8.958
  127   2HG1  VAL  18          3HG1      VAL  18   2.647  -2.238 -10.573
  128   3HG1  VAL  18          2HG1      VAL  18   3.430  -3.794 -10.293
  129   1HG2  VAL  18          1HG2      VAL  18   5.282  -0.194  -9.536
  130   2HG2  VAL  18          3HG2      VAL  18   4.954  -0.199 -11.269
  131   3HG2  VAL  18          2HG2      VAL  18   3.623  -0.325 -10.119
  132    H    ALA  19           H        ALA  19   4.210  -4.380  -8.453
  133    HA   ALA  19           HA       ALA  19   6.058  -6.584  -9.278
  134   1HB   ALA  19          1HB       ALA  19   5.695  -6.324  -6.796
  135   2HB   ALA  19          3HB       ALA  19   3.988  -6.671  -7.066
  136   3HB   ALA  19          2HB       ALA  19   5.205  -7.895  -7.431
  137    H    THR  20           H        THR  20   2.612  -6.462  -8.335
  138    HA   THR  20           HA       THR  20   1.748  -7.124 -11.050
  139    HB   THR  20           HB       THR  20   1.617  -9.188  -8.833
  140    HG1  THR  20           HG1      THR  20   2.760 -10.409 -10.350
  141   1HG2  THR  20          2HG2      THR  20  -0.178  -8.672 -11.046
  142   2HG2  THR  20          1HG2      THR  20   0.598 -10.245 -11.230
  143   3HG2  THR  20          3HG2      THR  20  -0.311  -9.877  -9.764
  144    H    TRP  21           H        TRP  21  -0.246  -6.216 -11.289
  145    HA   TRP  21           HA       TRP  21  -1.682  -5.309  -8.886
  146   1HB   TRP  21          2HB       TRP  21  -1.718  -4.705 -11.807
  147   2HB   TRP  21          1HB       TRP  21  -3.208  -4.449 -10.904
  148    HD1  TRP  21           HD1      TRP  21   0.258  -3.066 -11.410
  149    HE1  TRP  21           HE1      TRP  21   0.527  -0.900 -10.026
  150    HE3  TRP  21           HE3      TRP  21  -4.019  -3.240  -8.617
  151    HZ2  TRP  21           HZ2      TRP  21  -0.855   0.547  -8.035
  152    HZ3  TRP  21           HZ3      TRP  21  -4.518  -1.445  -6.976
  153    HH2  TRP  21           HH2      TRP  21  -2.941   0.450  -6.681
  154    H    HIS  22           H        HIS  22  -2.442  -7.379  -8.126
  155    HA   HIS  22           HA       HIS  22  -3.723  -9.420  -9.495
  156   1HB   HIS  22          2HB       HIS  22  -5.120  -8.406  -7.039
  157   2HB   HIS  22          1HB       HIS  22  -4.726 -10.066  -7.497
  158    HD1  HIS  22           HD1      HIS  22  -3.162  -6.936  -6.102
  159    HD2  HIS  22           HD2      HIS  22  -2.174 -10.944  -6.665
  160    HE1  HIS  22           HE1      HIS  22  -0.938  -7.284  -4.979
  161    H    LYS  23           H        LYS  23  -5.475  -6.570  -8.197
  162    HA   LYS  23           HA       LYS  23  -7.595  -7.111 -10.228
  163   1HB   LYS  23          2HB       LYS  23  -7.784  -5.265  -7.837
  164   2HB   LYS  23          1HB       LYS  23  -9.107  -5.901  -8.814
  165   1HG   LYS  23          2HG       LYS  23  -8.564  -8.191  -8.057
  166   2HG   LYS  23          1HG       LYS  23  -7.253  -7.548  -7.067
  167   1HD   LYS  23          2HD       LYS  23  -8.671  -6.786  -5.460
  168   2HD   LYS  23          1HD       LYS  23  -9.862  -6.237  -6.640
  169   1HE   LYS  23          2HE       LYS  23 -11.079  -8.008  -5.888
  170   2HE   LYS  23          1HE       LYS  23 -10.031  -8.945  -6.954
  171   1HZ   LYS  23          3HZ       LYS  23  -8.527  -9.307  -5.100
  172   2HZ   LYS  23          2HZ       LYS  23  -9.539  -8.406  -4.074
  173   3HZ   LYS  23          1HZ       LYS  23 -10.081  -9.878  -4.729
  174    H    LYS  24           H        LYS  24  -8.731  -4.847 -10.798
  175    HA   LYS  24           HA       LYS  24  -6.525  -2.978 -11.574
  176   1HB   LYS  24          2HB       LYS  24  -8.630  -4.266 -13.138
  177   2HB   LYS  24          1HB       LYS  24  -8.640  -2.512 -13.324
  178   1HG   LYS  24          2HG       LYS  24  -5.990  -2.934 -13.506
  179   2HG   LYS  24          1HG       LYS  24  -6.559  -4.489 -14.115
  180   1HD   LYS  24          2HD       LYS  24  -8.201  -2.569 -15.348
  181   2HD   LYS  24          1HD       LYS  24  -6.569  -1.904 -15.427
  182   1HE   LYS  24          2HE       LYS  24  -7.367  -4.693 -16.312
  183   2HE   LYS  24          1HE       LYS  24  -7.053  -3.332 -17.389
  184   1HZ   LYS  24          3HZ       LYS  24  -4.833  -3.290 -15.977
  185   2HZ   LYS  24          2HZ       LYS  24  -5.187  -4.945 -15.832
  186   3HZ   LYS  24          1HZ       LYS  24  -4.999  -4.245 -17.368
  187    HA   PRO  25           HA       PRO  25  -8.769   0.291  -9.702
  188   1HB   PRO  25          2HB       PRO  25  -8.328   2.346 -11.475
  189   2HB   PRO  25          1HB       PRO  25  -7.088   1.718 -10.375
  190   1HG   PRO  25          2HG       PRO  25  -7.378   1.296 -13.316
  191   2HG   PRO  25          1HG       PRO  25  -5.914   1.277 -12.319
  192   1HD   PRO  25          2HD       PRO  25  -7.274  -1.003 -13.280
  193   2HD   PRO  25          1HD       PRO  25  -6.050  -0.990 -11.993
  194    H    GLY  26           H        GLY  26 -10.905   0.970  -9.657
  195   1HA   GLY  26          2HA       GLY  26 -12.846   1.972 -10.803
  196   2HA   GLY  26          1HA       GLY  26 -12.387   1.066 -12.250
  197    H    GLU  27           H        GLU  27 -11.792  -1.129  -9.986
  198    HA   GLU  27           HA       GLU  27 -14.464  -2.367 -10.305
  199   1HB   GLU  27          2HB       GLU  27 -11.931  -3.546  -9.123
  200   2HB   GLU  27          1HB       GLU  27 -13.384  -4.428  -9.595
  201   1HG   GLU  27          2HG       GLU  27 -12.767  -3.029 -11.893
  202   2HG   GLU  27          1HG       GLU  27 -11.174  -3.446 -11.260
  203    H    ALA  28           H        ALA  28 -14.846  -3.883  -8.146
  204    HA   ALA  28           HA       ALA  28 -15.001  -1.895  -5.928
  205   1HB   ALA  28          2HB       ALA  28 -16.823  -3.896  -6.994
  206   2HB   ALA  28          1HB       ALA  28 -16.571  -4.119  -5.263
  207   3HB   ALA  28          3HB       ALA  28 -17.153  -2.572  -5.879
  208    H    VAL  29           H        VAL  29 -14.322  -2.503  -3.822
  209    HA   VAL  29           HA       VAL  29 -13.074  -5.166  -3.482
  210    HB   VAL  29           HB       VAL  29 -11.032  -3.916  -2.471
  211   1HG1  VAL  29          3HG1      VAL  29 -11.660  -4.863  -5.088
  212   2HG1  VAL  29          2HG1      VAL  29 -10.669  -3.416  -5.268
  213   3HG1  VAL  29          1HG1      VAL  29 -10.077  -4.777  -4.316
  214   1HG2  VAL  29          3HG2      VAL  29 -12.616  -1.727  -3.385
  215   2HG2  VAL  29          2HG2      VAL  29 -11.016  -1.670  -2.645
  216   3HG2  VAL  29          1HG2      VAL  29 -11.173  -1.794  -4.397
  217    H    LYS  30           H        LYS  30 -12.313  -5.385  -1.118
  218    HA   LYS  30           HA       LYS  30 -13.973  -3.682   0.687
  219   1HB   LYS  30          2HB       LYS  30 -14.867  -6.098   0.077
  220   2HB   LYS  30          1HB       LYS  30 -13.663  -6.609   1.260
  221   1HG   LYS  30          2HG       LYS  30 -14.653  -5.103   2.936
  222   2HG   LYS  30          1HG       LYS  30 -15.847  -4.564   1.755
  223   1HD   LYS  30          2HD       LYS  30 -16.844  -6.744   1.639
  224   2HD   LYS  30          1HD       LYS  30 -15.521  -7.464   2.557
  225   1HE   LYS  30          2HE       LYS  30 -16.969  -7.195   4.308
  226   2HE   LYS  30          1HE       LYS  30 -16.310  -5.560   4.312
  227   1HZ   LYS  30          1HZ       LYS  30 -18.214  -5.310   2.482
  228   2HZ   LYS  30          3HZ       LYS  30 -18.919  -6.510   3.452
  229   3HZ   LYS  30          2HZ       LYS  30 -18.473  -5.020   4.136
  230    H    ARG  31           H        ARG  31 -13.011  -3.255   2.692
  231    HA   ARG  31           HA       ARG  31 -10.279  -3.094   2.977
  232   1HB   ARG  31          2HB       ARG  31 -12.555  -3.123   4.828
  233   2HB   ARG  31          1HB       ARG  31 -11.048  -3.662   5.571
  234   1HG   ARG  31          2HG       ARG  31  -9.938  -1.609   4.603
  235   2HG   ARG  31          1HG       ARG  31 -11.540  -1.048   4.124
  236   1HD   ARG  31          2HD       ARG  31 -11.658  -0.118   6.184
  237   2HD   ARG  31          1HD       ARG  31 -11.904  -1.761   6.775
  238    HE   ARG  31           HE       ARG  31  -9.480  -0.176   7.094
  239   1HH1  ARG  31          1HH1      ARG  31  -8.672  -3.943   7.015
  240   2HH1  ARG  31          2HH1      ARG  31  -9.258  -3.027   5.668
  241   1HH2  ARG  31          1HH2      ARG  31  -9.400  -1.482   9.346
  242   2HH2  ARG  31          2HH2      ARG  31  -8.751  -3.069   9.098
  243    H    ASP  32           H        ASP  32  -8.659  -4.418   4.004
  244    HA   ASP  32           HA       ASP  32  -7.610  -6.444   4.574
  245   1HB   ASP  32          2HB       ASP  32  -9.681  -6.657   6.064
  246   2HB   ASP  32          1HB       ASP  32 -10.380  -7.644   4.780
  247    H    GLU  33           H        GLU  33  -8.008  -5.769   1.853
  248    HA   GLU  33           HA       GLU  33  -8.105  -8.503   0.685
  249   1HB   GLU  33          2HB       GLU  33 -10.308  -7.107   0.400
  250   2HB   GLU  33          1HB       GLU  33  -9.372  -6.216  -0.802
  251   1HG   GLU  33          2HG       GLU  33  -9.199  -8.036  -2.220
  252   2HG   GLU  33          1HG       GLU  33  -9.317  -9.205  -0.905
  253    H    LEU  34           H        LEU  34  -6.155  -8.765  -0.280
  254    HA   LEU  34           HA       LEU  34  -4.172  -6.907  -0.711
  255   1HB   LEU  34          2HB       LEU  34  -3.917  -9.351  -1.096
  256   2HB   LEU  34          1HB       LEU  34  -4.828  -9.189  -2.598
  257    HG   LEU  34           HG       LEU  34  -3.136  -7.637  -3.476
  258   1HD1  LEU  34          3HD1      LEU  34  -1.754  -8.155  -0.826
  259   2HD1  LEU  34          2HD1      LEU  34  -1.033  -7.296  -2.187
  260   3HD1  LEU  34          1HD1      LEU  34  -2.437  -6.620  -1.361
  261   1HD2  LEU  34          2HD2      LEU  34  -2.193 -10.298  -2.398
  262   2HD2  LEU  34          1HD2      LEU  34  -2.684  -9.897  -4.044
  263   3HD2  LEU  34          3HD2      LEU  34  -1.153  -9.294  -3.409
  264    H    ILE  35           H        ILE  35  -3.413  -5.881  -2.781
  265    HA   ILE  35           HA       ILE  35  -5.535  -5.319  -4.759
  266    HB   ILE  35           HB       ILE  35  -4.223  -3.170  -3.069
  267   1HG1  ILE  35          2HG1      ILE  35  -7.120  -3.991  -3.462
  268   2HG1  ILE  35          1HG1      ILE  35  -6.155  -4.286  -2.015
  269   1HG2  ILE  35          3HG2      ILE  35  -4.472  -2.701  -5.583
  270   2HG2  ILE  35          2HG2      ILE  35  -6.213  -2.766  -5.308
  271   3HG2  ILE  35          1HG2      ILE  35  -5.237  -1.549  -4.487
  272   1HD1  ILE  35          1HD1      ILE  35  -6.747  -1.536  -3.146
  273   2HD1  ILE  35          3HD1      ILE  35  -7.623  -2.273  -1.804
  274   3HD1  ILE  35          2HD1      ILE  35  -5.908  -1.892  -1.636
  275    H    VAL  36           H        VAL  36  -2.209  -4.630  -3.674
  276    HA   VAL  36           HA       VAL  36  -1.223  -5.214  -6.374
  277    HB   VAL  36           HB       VAL  36  -1.858  -2.834  -6.570
  278   1HG1  VAL  36          3HG1      VAL  36   0.081  -2.456  -4.267
  279   2HG1  VAL  36          2HG1      VAL  36  -0.702  -1.159  -5.170
  280   3HG1  VAL  36          1HG1      VAL  36  -1.669  -2.252  -4.179
  281   1HG2  VAL  36          2HG2      VAL  36   0.189  -3.741  -7.711
  282   2HG2  VAL  36          1HG2      VAL  36   0.290  -2.015  -7.365
  283   3HG2  VAL  36          3HG2      VAL  36   1.150  -3.170  -6.347
  284    H    ASP  37           H        ASP  37   0.956  -5.825  -6.319
  285    HA   ASP  37           HA       ASP  37   2.181  -5.871  -3.595
  286   1HB   ASP  37          2HB       ASP  37   2.258  -7.739  -5.936
  287   2HB   ASP  37          1HB       ASP  37   3.659  -7.675  -4.865
  288    H    ILE  38           H        ILE  38   4.369  -5.226  -3.366
  289    HA   ILE  38           HA       ILE  38   5.377  -3.564  -5.627
  290    HB   ILE  38           HB       ILE  38   6.221  -3.542  -2.714
  291   1HG1  ILE  38          2HG1      ILE  38   4.515  -1.484  -4.124
  292   2HG1  ILE  38          1HG1      ILE  38   3.796  -2.860  -3.284
  293   1HG2  ILE  38          3HG2      ILE  38   6.989  -2.021  -5.169
  294   2HG2  ILE  38          2HG2      ILE  38   6.911  -1.137  -3.644
  295   3HG2  ILE  38          1HG2      ILE  38   7.986  -2.527  -3.806
  296   1HD1  ILE  38          1HD1      ILE  38   5.229  -2.156  -1.264
  297   2HD1  ILE  38          3HD1      ILE  38   5.479  -0.637  -2.123
  298   3HD1  ILE  38          2HD1      ILE  38   3.851  -1.129  -1.660
  299    H    GLU  39           H        GLU  39   7.590  -3.773  -6.275
  300    HA   GLU  39           HA       GLU  39   8.990  -6.201  -5.240
  301   1HB   GLU  39          2HB       GLU  39   7.836  -5.915  -7.806
  302   2HB   GLU  39          1HB       GLU  39   9.578  -5.757  -8.031
  303   1HG   GLU  39          2HG       GLU  39   8.820  -7.906  -6.172
  304   2HG   GLU  39          1HG       GLU  39   8.233  -8.151  -7.818
  305    H    THR  40           H        THR  40  10.587  -5.089  -4.114
  306    HA   THR  40           HA       THR  40  12.017  -2.884  -5.481
  307    HB   THR  40           HB       THR  40  11.297  -2.804  -3.021
  308    HG1  THR  40           HG1      THR  40  13.266  -1.791  -2.457
  309   1HG2  THR  40          2HG2      THR  40  12.028  -5.132  -2.506
  310   2HG2  THR  40          1HG2      THR  40  13.702  -4.625  -2.734
  311   3HG2  THR  40          3HG2      THR  40  12.744  -3.939  -1.421
  312    H    ASP  41           H        ASP  41  14.578  -3.143  -4.569
  313    HA   ASP  41           HA       ASP  41  15.893  -4.771  -6.349
  314   1HB   ASP  41          2HB       ASP  41  16.708  -3.169  -4.305
  315   2HB   ASP  41          1HB       ASP  41  17.132  -4.755  -3.660
  316    H    LYS  42           H        LYS  42  15.183  -5.743  -2.969
  317    HA   LYS  42           HA       LYS  42  14.759  -8.513  -3.920
  318   1HB   LYS  42          2HB       LYS  42  16.729  -7.888  -1.703
  319   2HB   LYS  42          1HB       LYS  42  16.355  -9.476  -2.373
  320   1HG   LYS  42          2HG       LYS  42  17.227  -8.750  -4.570
  321   2HG   LYS  42          1HG       LYS  42  17.624  -7.173  -3.885
  322   1HD   LYS  42          2HD       LYS  42  18.695  -9.319  -2.247
  323   2HD   LYS  42          1HD       LYS  42  19.272  -9.441  -3.909
  324   1HE   LYS  42          2HE       LYS  42  20.802  -8.014  -2.686
  325   2HE   LYS  42          1HE       LYS  42  19.885  -7.005  -3.805
  326   1HZ   LYS  42          3HZ       LYS  42  18.480  -7.235  -1.376
  327   2HZ   LYS  42          2HZ       LYS  42  20.073  -6.744  -1.047
  328   3HZ   LYS  42          1HZ       LYS  42  19.106  -5.840  -2.111
  329    H    VAL  43           H        VAL  43  12.773  -6.856  -3.023
  330    HA   VAL  43           HA       VAL  43  11.943  -8.234  -0.559
  331    HB   VAL  43           HB       VAL  43  11.735  -5.238  -0.526
  332   1HG1  VAL  43          1HG1      VAL  43  11.720  -7.507   1.458
  333   2HG1  VAL  43          3HG1      VAL  43  12.037  -5.855   1.988
  334   3HG1  VAL  43          2HG1      VAL  43  10.506  -6.251   1.207
  335   1HG2  VAL  43          2HG2      VAL  43  14.131  -6.858   0.399
  336   2HG2  VAL  43          1HG2      VAL  43  14.120  -5.714  -0.943
  337   3HG2  VAL  43          3HG2      VAL  43  13.880  -5.141   0.707
  338    H    VAL  44           H        VAL  44  10.053  -9.026  -1.402
  339    HA   VAL  44           HA       VAL  44   8.394  -7.312  -3.144
  340    HB   VAL  44           HB       VAL  44   8.052 -10.179  -2.211
  341   1HG1  VAL  44          2HG1      VAL  44   5.897  -9.008  -2.700
  342   2HG1  VAL  44          1HG1      VAL  44   6.504  -8.631  -4.311
  343   3HG1  VAL  44          3HG1      VAL  44   6.240 -10.309  -3.840
  344   1HG2  VAL  44          1HG2      VAL  44   9.650  -8.957  -4.250
  345   2HG2  VAL  44          3HG2      VAL  44   9.450 -10.676  -3.907
  346   3HG2  VAL  44          2HG2      VAL  44   8.361  -9.869  -5.036
  347    H    MET  45           H        MET  45   7.224  -5.822  -1.994
  348    HA   MET  45           HA       MET  45   6.105  -6.556   0.640
  349   1HB   MET  45          2HB       MET  45   6.457  -4.025  -0.915
  350   2HB   MET  45          1HB       MET  45   5.169  -4.084   0.289
  351   1HG   MET  45          2HG       MET  45   6.699  -4.568   2.052
  352   2HG   MET  45          1HG       MET  45   8.002  -4.929   0.919
  353   1HE   MET  45          1HE       MET  45   5.835  -2.811   2.679
  354   2HE   MET  45          3HE       MET  45   6.788  -1.360   3.017
  355   3HE   MET  45          2HE       MET  45   5.646  -1.375   1.676
  356    H    GLU  46           H        GLU  46   3.715  -5.632   0.919
  357    HA   GLU  46           HA       GLU  46   2.103  -6.419  -1.468
  358   1HB   GLU  46          2HB       GLU  46   1.169  -7.136   1.292
  359   2HB   GLU  46          1HB       GLU  46   0.772  -7.893  -0.252
  360   1HG   GLU  46          2HG       GLU  46   3.301  -8.519  -0.328
  361   2HG   GLU  46          1HG       GLU  46   3.269  -8.191   1.404
  362    H    VAL  47           H        VAL  47   0.033  -5.372  -1.584
  363    HA   VAL  47           HA       VAL  47  -0.316  -3.113   0.345
  364    HB   VAL  47           HB       VAL  47  -0.778  -3.064  -2.653
  365   1HG1  VAL  47          2HG1      VAL  47  -1.769  -1.425  -0.458
  366   2HG1  VAL  47          1HG1      VAL  47  -0.829  -0.472  -1.606
  367   3HG1  VAL  47          3HG1      VAL  47  -2.222  -1.399  -2.164
  368   1HG2  VAL  47          2HG2      VAL  47   1.560  -2.628  -1.083
  369   2HG2  VAL  47          1HG2      VAL  47   1.351  -2.344  -2.811
  370   3HG2  VAL  47          3HG2      VAL  47   1.013  -1.053  -1.659
  371    H    LEU  48           H        LEU  48  -2.092  -3.741   1.504
  372    HA   LEU  48           HA       LEU  48  -4.300  -5.158   0.134
  373   1HB   LEU  48          2HB       LEU  48  -3.270  -5.044   2.825
  374   2HB   LEU  48          1HB       LEU  48  -4.980  -4.613   2.830
  375    HG   LEU  48           HG       LEU  48  -5.413  -6.662   1.420
  376   1HD1  LEU  48          2HD1      LEU  48  -2.932  -6.762   0.721
  377   2HD1  LEU  48          1HD1      LEU  48  -2.651  -7.523   2.287
  378   3HD1  LEU  48          3HD1      LEU  48  -3.718  -8.293   1.112
  379   1HD2  LEU  48          1HD2      LEU  48  -4.922  -6.419   4.207
  380   2HD2  LEU  48          3HD2      LEU  48  -5.940  -7.609   3.396
  381   3HD2  LEU  48          2HD2      LEU  48  -4.241  -7.966   3.705
  382    H    ALA  49           H        ALA  49  -6.584  -4.345   1.001
  383    HA   ALA  49           HA       ALA  49  -6.814  -1.566   0.095
  384   1HB   ALA  49          3HB       ALA  49  -8.453  -3.441  -0.471
  385   2HB   ALA  49          2HB       ALA  49  -9.022  -3.320   1.193
  386   3HB   ALA  49          1HB       ALA  49  -9.178  -1.940   0.105
  387    H    GLU  50           H        GLU  50  -6.754   0.149   1.459
  388    HA   GLU  50           HA       GLU  50  -6.930  -0.346   4.373
  389   1HB   GLU  50          2HB       GLU  50  -5.456   1.443   2.729
  390   2HB   GLU  50          1HB       GLU  50  -6.540   2.425   3.715
  391   1HG   GLU  50          2HG       GLU  50  -5.055   0.191   5.041
  392   2HG   GLU  50          1HG       GLU  50  -4.171   1.665   4.646
  393    H    ALA  51           H        ALA  51  -9.226  -0.106   2.230
  394    HA   ALA  51           HA       ALA  51 -11.246   0.832   3.957
  395   1HB   ALA  51          1HB       ALA  51  -9.736   2.983   3.143
  396   2HB   ALA  51          3HB       ALA  51 -11.034   2.976   1.949
  397   3HB   ALA  51          2HB       ALA  51 -11.417   3.079   3.667
  398    H    ASP  52           H        ASP  52 -13.041  -0.107   3.111
  399    HA   ASP  52           HA       ASP  52 -13.101  -1.286   0.525
  400   1HB   ASP  52          2HB       ASP  52 -14.661  -2.263   1.904
  401   2HB   ASP  52          1HB       ASP  52 -15.106  -0.744   2.673
  402    H    GLY  53           H        GLY  53 -14.869  -0.690  -1.124
  403   1HA   GLY  53          2HA       GLY  53 -16.215   1.408  -1.842
  404   2HA   GLY  53          1HA       GLY  53 -14.677   2.252  -1.630
  405    H    VAL  54           H        VAL  54 -14.237   2.788  -3.765
  406    HA   VAL  54           HA       VAL  54 -13.670   0.488  -5.569
  407    HB   VAL  54           HB       VAL  54 -15.332   2.931  -6.231
  408   1HG1  VAL  54          2HG1      VAL  54 -13.658   1.166  -7.957
  409   2HG1  VAL  54          1HG1      VAL  54 -15.257   1.600  -8.561
  410   3HG1  VAL  54          3HG1      VAL  54 -14.089   2.863  -8.169
  411   1HG2  VAL  54          1HG2      VAL  54 -16.108   0.480  -5.338
  412   2HG2  VAL  54          3HG2      VAL  54 -17.085   1.473  -6.420
  413   3HG2  VAL  54          2HG2      VAL  54 -16.074   0.186  -7.077
  414    H    ILE  55           H        ILE  55 -11.707   0.715  -6.558
  415    HA   ILE  55           HA       ILE  55  -9.953   2.865  -5.860
  416    HB   ILE  55           HB       ILE  55  -9.699   0.973  -8.215
  417   1HG1  ILE  55          2HG1      ILE  55 -10.151  -0.100  -5.935
  418   2HG1  ILE  55          1HG1      ILE  55  -8.657  -0.589  -6.732
  419   1HG2  ILE  55          3HG2      ILE  55  -7.803   2.743  -6.678
  420   2HG2  ILE  55          2HG2      ILE  55  -7.213   1.319  -7.535
  421   3HG2  ILE  55          1HG2      ILE  55  -8.019   2.612  -8.423
  422   1HD1  ILE  55          1HD1      ILE  55  -8.487   1.795  -4.964
  423   2HD1  ILE  55          3HD1      ILE  55  -8.733   0.242  -4.164
  424   3HD1  ILE  55          2HD1      ILE  55  -7.329   0.487  -5.204
  425    H    ALA  56           H        ALA  56  -8.843   4.242  -7.617
  426    HA   ALA  56           HA       ALA  56 -10.972   5.369  -9.384
  427   1HB   ALA  56          3HB       ALA  56  -9.248   6.601  -7.525
  428   2HB   ALA  56          2HB       ALA  56  -8.630   7.051  -9.114
  429   3HB   ALA  56          1HB       ALA  56 -10.305   7.405  -8.686
  430    H    GLU  57           H        GLU  57  -7.387   5.279  -9.398
  431    HA   GLU  57           HA       GLU  57  -7.311   3.852 -11.928
  432   1HB   GLU  57          2HB       GLU  57  -7.604   6.695 -12.015
  433   2HB   GLU  57          1HB       GLU  57  -5.968   6.300 -12.542
  434   1HG   GLU  57          2HG       GLU  57  -6.857   5.784 -14.550
  435   2HG   GLU  57          1HG       GLU  57  -7.568   4.369 -13.773
  436    H    ILE  58           H        ILE  58  -5.244   3.026 -12.278
  437    HA   ILE  58           HA       ILE  58  -3.273   3.588 -10.134
  438    HB   ILE  58           HB       ILE  58  -3.345   1.439 -12.275
  439   1HG1  ILE  58          2HG1      ILE  58  -5.083   1.047 -10.662
  440   2HG1  ILE  58          1HG1      ILE  58  -3.741  -0.017 -10.222
  441   1HG2  ILE  58          3HG2      ILE  58  -1.044   2.070 -11.547
  442   2HG2  ILE  58          2HG2      ILE  58  -1.512   1.750  -9.877
  443   3HG2  ILE  58          1HG2      ILE  58  -1.482   0.433 -11.052
  444   1HD1  ILE  58          3HD1      ILE  58  -2.968   1.715  -8.591
  445   2HD1  ILE  58          2HD1      ILE  58  -4.408   2.662  -8.966
  446   3HD1  ILE  58          1HD1      ILE  58  -4.567   1.077  -8.210
  447    H    VAL  59           H        VAL  59  -1.554   4.894 -10.533
  448    HA   VAL  59           HA       VAL  59  -1.075   5.802 -13.304
  449    HB   VAL  59           HB       VAL  59   0.316   6.658 -10.748
  450   1HG1  VAL  59          3HG1      VAL  59   0.999   7.136 -13.368
  451   2HG1  VAL  59          2HG1      VAL  59  -0.022   8.527 -13.001
  452   3HG1  VAL  59          1HG1      VAL  59   1.404   8.196 -12.018
  453   1HG2  VAL  59          1HG2      VAL  59  -2.369   7.197 -11.780
  454   2HG2  VAL  59          3HG2      VAL  59  -1.684   7.568 -10.198
  455   3HG2  VAL  59          2HG2      VAL  59  -1.431   8.673 -11.549
  456    H    LYS  60           H        LYS  60   0.166   3.492 -11.104
  457    HA   LYS  60           HA       LYS  60   2.721   3.334 -12.651
  458   1HB   LYS  60          2HB       LYS  60   2.145   3.171  -9.843
  459   2HB   LYS  60          1HB       LYS  60   2.787   1.618 -10.380
  460   1HG   LYS  60          2HG       LYS  60   4.788   2.689 -10.031
  461   2HG   LYS  60          1HG       LYS  60   4.491   3.250 -11.678
  462   1HD   LYS  60          2HD       LYS  60   3.644   4.745  -9.179
  463   2HD   LYS  60          1HD       LYS  60   5.093   5.108 -10.119
  464   1HE   LYS  60          2HE       LYS  60   3.494   5.292 -12.144
  465   2HE   LYS  60          1HE       LYS  60   2.205   5.388 -10.944
  466   1HZ   LYS  60          1HZ       LYS  60   4.145   7.113 -10.057
  467   2HZ   LYS  60          3HZ       LYS  60   4.084   7.375 -11.732
  468   3HZ   LYS  60          2HZ       LYS  60   2.675   7.535 -10.797
  469    H    ASN  61           H        ASN  61   2.998   1.576 -13.954
  470    HA   ASN  61           HA       ASN  61   0.965  -0.599 -13.763
  471   1HB   ASN  61          2HB       ASN  61   2.841   0.021 -16.062
  472   2HB   ASN  61          1HB       ASN  61   1.461  -1.078 -16.084
  473   1HD2  ASN  61          2HD2      ASN  61   0.824   2.752 -16.981
  474   2HD2  ASN  61          1HD2      ASN  61   2.356   2.003 -17.002
  475    H    GLU  62           H        GLU  62   1.829  -2.826 -14.302
  476    HA   GLU  62           HA       GLU  62   4.035  -3.470 -12.572
  477   1HB   GLU  62          2HB       GLU  62   2.852  -5.207 -14.757
  478   2HB   GLU  62          1HB       GLU  62   3.728  -5.749 -13.326
  479   1HG   GLU  62          2HG       GLU  62   1.969  -5.050 -11.865
  480   2HG   GLU  62          1HG       GLU  62   1.165  -4.150 -13.156
  481    H    GLY  63           H        GLY  63   6.193  -3.760 -13.051
  482   1HA   GLY  63          2HA       GLY  63   8.058  -4.210 -14.513
  483   2HA   GLY  63          1HA       GLY  63   7.027  -3.832 -15.898
  484    H    ASP  64           H        ASP  64   6.452  -1.505 -13.596
  485    HA   ASP  64           HA       ASP  64   8.359   0.345 -14.946
  486   1HB   ASP  64          2HB       ASP  64   6.309   1.331 -15.279
  487   2HB   ASP  64          1HB       ASP  64   5.608   0.640 -13.817
  488    H    THR  65           H        THR  65   9.060   2.202 -13.446
  489    HA   THR  65           HA       THR  65  10.082   0.968 -10.938
  490    HB   THR  65           HB       THR  65  11.637   2.077 -12.629
  491    HG1  THR  65           HG1      THR  65  12.849   2.311 -10.951
  492   1HG2  THR  65          2HG2      THR  65   9.747   4.167 -12.318
  493   2HG2  THR  65          1HG2      THR  65  11.260   4.741 -11.616
  494   3HG2  THR  65          3HG2      THR  65  11.219   4.182 -13.289
  495    H    VAL  66           H        VAL  66  10.059   2.302  -8.954
  496    HA   VAL  66           HA       VAL  66   7.887   4.352  -8.938
  497    HB   VAL  66           HB       VAL  66   7.234   3.397  -6.669
  498   1HG1  VAL  66          1HG1      VAL  66   6.812   2.125  -9.332
  499   2HG1  VAL  66          3HG1      VAL  66   6.256   1.227  -7.919
  500   3HG1  VAL  66          2HG1      VAL  66   5.637   2.849  -8.232
  501   1HG2  VAL  66          3HG2      VAL  66   9.542   1.915  -7.000
  502   2HG2  VAL  66          2HG2      VAL  66   8.262   1.546  -5.845
  503   3HG2  VAL  66          1HG2      VAL  66   8.283   0.752  -7.419
  504    H    LEU  67           H        LEU  67   8.493   6.194  -7.886
  505    HA   LEU  67           HA       LEU  67  11.116   6.185  -6.503
  506   1HB   LEU  67          2HB       LEU  67   9.515   8.143  -7.978
  507   2HB   LEU  67          1HB       LEU  67  10.152   8.789  -6.466
  508    HG   LEU  67           HG       LEU  67  12.242   7.277  -7.638
  509   1HD1  LEU  67          2HD1      LEU  67  10.814   9.105  -9.589
  510   2HD1  LEU  67          1HD1      LEU  67  12.472   8.544  -9.806
  511   3HD1  LEU  67          3HD1      LEU  67  11.142   7.384  -9.791
  512   1HD2  LEU  67          2HD2      LEU  67  12.016   9.576  -6.284
  513   2HD2  LEU  67          1HD2      LEU  67  13.429   9.227  -7.279
  514   3HD2  LEU  67          3HD2      LEU  67  12.139  10.251  -7.908
  515    H    SER  68           H        SER  68  11.216   7.598  -4.463
  516    HA   SER  68           HA       SER  68   9.490   6.525  -2.466
  517   1HB   SER  68          2HB       SER  68  11.711   7.435  -1.931
  518   2HB   SER  68          1HB       SER  68  11.176   9.047  -2.397
  519    HG   SER  68           HG       SER  68   9.788   9.073  -0.681
  520    H    GLY  69           H        GLY  69   7.477   7.144  -1.814
  521   1HA   GLY  69          2HA       GLY  69   5.565   8.490  -1.531
  522   2HA   GLY  69          1HA       GLY  69   6.538   9.881  -2.009
  523    H    GLU  70           H        GLU  70   6.340   7.046  -4.049
  524    HA   GLU  70           HA       GLU  70   5.265   8.683  -6.225
  525   1HB   GLU  70          2HB       GLU  70   7.007   6.896  -6.558
  526   2HB   GLU  70          1HB       GLU  70   5.771   5.694  -6.179
  527   1HG   GLU  70          2HG       GLU  70   5.158   5.740  -8.344
  528   2HG   GLU  70          1HG       GLU  70   4.601   7.396  -8.093
  529    H    LEU  71           H        LEU  71   3.145   8.763  -6.848
  530    HA   LEU  71           HA       LEU  71   1.145   7.420  -5.201
  531   1HB   LEU  71          2HB       LEU  71   0.797   9.716  -6.086
  532   2HB   LEU  71          1HB       LEU  71   0.795   9.065  -7.726
  533    HG   LEU  71           HG       LEU  71  -1.063   7.844  -5.726
  534   1HD1  LEU  71          3HD1      LEU  71  -1.270  10.608  -6.886
  535   2HD1  LEU  71          2HD1      LEU  71  -2.735   9.657  -6.648
  536   3HD1  LEU  71          1HD1      LEU  71  -1.701  10.043  -5.272
  537   1HD2  LEU  71          1HD2      LEU  71  -0.554   7.545  -8.441
  538   2HD2  LEU  71          3HD2      LEU  71  -1.996   6.976  -7.600
  539   3HD2  LEU  71          2HD2      LEU  71  -2.008   8.543  -8.411
  540    H    LEU  72           H        LEU  72   0.409   5.394  -5.596
  541    HA   LEU  72           HA       LEU  72   0.924   4.194  -8.264
  542   1HB   LEU  72          2HB       LEU  72  -0.128   2.833  -5.768
  543   2HB   LEU  72          1HB       LEU  72   0.554   2.062  -7.200
  544    HG   LEU  72           HG       LEU  72   2.229   4.068  -5.743
  545   1HD1  LEU  72          1HD1      LEU  72   1.053   1.957  -4.355
  546   2HD1  LEU  72          3HD1      LEU  72   2.641   1.335  -4.803
  547   3HD1  LEU  72          2HD1      LEU  72   2.509   2.829  -3.875
  548   1HD2  LEU  72          2HD2      LEU  72   2.522   2.132  -7.830
  549   2HD2  LEU  72          1HD2      LEU  72   3.738   3.242  -7.198
  550   3HD2  LEU  72          3HD2      LEU  72   3.549   1.641  -6.483
  551    H    GLY  73           H        GLY  73  -1.672   5.307  -6.217
  552   1HA   GLY  73          2HA       GLY  73  -3.582   5.428  -8.292
  553   2HA   GLY  73          1HA       GLY  73  -3.828   3.886  -7.465
  554    H    LYS  74           H        LYS  74  -5.712   6.071  -7.470
  555    HA   LYS  74           HA       LYS  74  -5.586   6.915  -4.603
  556   1HB   LYS  74          2HB       LYS  74  -6.055   8.420  -6.971
  557   2HB   LYS  74          1HB       LYS  74  -7.579   8.358  -6.085
  558   1HG   LYS  74          2HG       LYS  74  -5.475   8.781  -4.196
  559   2HG   LYS  74          1HG       LYS  74  -5.275   9.943  -5.508
  560   1HD   LYS  74          2HD       LYS  74  -7.978   9.467  -4.261
  561   2HD   LYS  74          1HD       LYS  74  -6.833  10.600  -3.542
  562   1HE   LYS  74          2HE       LYS  74  -7.331  10.815  -6.479
  563   2HE   LYS  74          1HE       LYS  74  -8.594  11.387  -5.389
  564   1HZ   LYS  74          1HZ       LYS  74  -5.814  12.181  -4.886
  565   2HZ   LYS  74          3HZ       LYS  74  -6.673  12.960  -6.124
  566   3HZ   LYS  74          2HZ       LYS  74  -7.255  13.007  -4.528
  567    H    LEU  75           H        LEU  75  -7.686   6.930  -3.465
  568    HA   LEU  75           HA       LEU  75  -9.405   4.690  -4.410
  569   1HB   LEU  75          2HB       LEU  75  -8.343   4.719  -2.072
  570   2HB   LEU  75          1HB       LEU  75  -9.490   6.004  -1.688
  571    HG   LEU  75           HG       LEU  75 -11.354   4.498  -2.384
  572   1HD1  LEU  75          2HD1      LEU  75  -9.018   2.684  -2.906
  573   2HD1  LEU  75          1HD1      LEU  75 -10.557   1.985  -2.404
  574   3HD1  LEU  75          3HD1      LEU  75 -10.464   2.947  -3.879
  575   1HD2  LEU  75          2HD2      LEU  75 -10.446   4.666   0.001
  576   2HD2  LEU  75          1HD2      LEU  75 -11.353   3.199  -0.371
  577   3HD2  LEU  75          3HD2      LEU  75  -9.590   3.158  -0.319
  578    H    THR  76           H        THR  76 -11.773   4.952  -4.157
  579    HA   THR  76           HA       THR  76 -12.607   7.648  -5.009
  580    HB   THR  76           HB       THR  76 -13.420   5.384  -5.990
  581    HG1  THR  76           HG1      THR  76 -15.687   6.454  -5.918
  582   1HG2  THR  76          2HG2      THR  76 -14.048   4.642  -3.565
  583   2HG2  THR  76          1HG2      THR  76 -15.507   5.593  -3.844
  584   3HG2  THR  76          3HG2      THR  76 -15.130   4.228  -4.895
  585    H    GLU  77           H        GLU  77 -15.236   7.512  -3.983
  586    HA   GLU  77           HA       GLU  77 -14.818   8.737  -1.393
  587   1HB   GLU  77          2HB       GLU  77 -17.316   7.931  -2.902
  588   2HB   GLU  77          1HB       GLU  77 -17.360   8.738  -1.335
  589   1HG   GLU  77          2HG       GLU  77 -15.987   9.815  -3.816
  590   2HG   GLU  77          1HG       GLU  77 -17.544  10.364  -3.195
  591    H    GLY  78           H        GLY  78 -17.404   6.390  -1.738
  592   1HA   GLY  78          2HA       GLY  78 -17.411   4.139  -0.790
  593   2HA   GLY  78          1HA       GLY  78 -16.052   4.609   0.233
  594    H    GLY  79           HN       GLY  79 -17.310   7.206   0.925
  595   1HA   GLY  79          2HA       GLY  79 -19.617   6.254   2.563
  596   2HA   GLY  79          1HA       GLY  79 -18.295   7.134   3.330
   
  No H/Q in entry =         596
  Start of MODEL   25
    1   1H    ALA   1          3H        ALA   1 -11.466   8.271   1.155
    2   2H    ALA   1          2H        ALA   1 -11.255   9.916   1.526
    3   3H    ALA   1          1H        ALA   1 -12.333   9.449   0.297
    4    HA   ALA   1           HA       ALA   1 -10.534   8.652  -1.062
    5   1HB   ALA   1          2HB       ALA   1 -10.127  11.430   0.082
    6   2HB   ALA   1          1HB       ALA   1  -9.339  10.842  -1.382
    7   3HB   ALA   1          3HB       ALA   1 -11.095  10.998  -1.327
    8    H    ILE   2           H        ILE   2  -9.049   7.113  -0.422
    9    HA   ILE   2           HA       ILE   2  -6.993   7.934   1.581
   10    HB   ILE   2           HB       ILE   2  -7.405   5.128   0.551
   11   1HG1  ILE   2          2HG1      ILE   2  -8.762   6.273   3.002
   12   2HG1  ILE   2          1HG1      ILE   2  -9.567   6.202   1.434
   13   1HG2  ILE   2          3HG2      ILE   2  -6.044   6.477   2.850
   14   2HG2  ILE   2          2HG2      ILE   2  -6.694   4.857   3.102
   15   3HG2  ILE   2          1HG2      ILE   2  -5.486   5.137   1.847
   16   1HD1  ILE   2          3HD1      ILE   2  -8.487   3.657   1.723
   17   2HD1  ILE   2          2HD1      ILE   2  -9.047   4.054   3.347
   18   3HD1  ILE   2          1HD1      ILE   2 -10.174   4.097   1.991
   19    H    ASP   3           H        ASP   3  -5.317   8.871   0.472
   20    HA   ASP   3           HA       ASP   3  -4.584   8.038  -2.219
   21   1HB   ASP   3          2HB       ASP   3  -4.272  10.369  -1.183
   22   2HB   ASP   3          1HB       ASP   3  -2.878   9.683  -0.341
   23    H    ILE   4           H        ILE   4  -3.228   6.386  -2.732
   24    HA   ILE   4           HA       ILE   4  -1.677   5.129  -0.518
   25    HB   ILE   4           HB       ILE   4  -2.173   3.957  -3.261
   26   1HG1  ILE   4          2HG1      ILE   4  -3.868   3.543  -0.780
   27   2HG1  ILE   4          1HG1      ILE   4  -4.328   4.606  -2.109
   28   1HG2  ILE   4          3HG2      ILE   4  -1.503   2.804  -0.537
   29   2HG2  ILE   4          2HG2      ILE   4  -1.884   1.833  -1.958
   30   3HG2  ILE   4          1HG2      ILE   4  -0.447   2.856  -1.948
   31   1HD1  ILE   4          1HD1      ILE   4  -3.731   1.645  -2.378
   32   2HD1  ILE   4          3HD1      ILE   4  -5.346   2.354  -2.342
   33   3HD1  ILE   4          2HD1      ILE   4  -4.252   2.719  -3.676
   34    H    LYS   5           H        LYS   5   0.501   5.400  -0.504
   35    HA   LYS   5           HA       LYS   5   1.860   6.019  -3.089
   36   1HB   LYS   5          2HB       LYS   5   3.359   7.570  -1.712
   37   2HB   LYS   5          1HB       LYS   5   1.719   8.148  -2.013
   38   1HG   LYS   5          2HG       LYS   5   1.055   7.836   0.177
   39   2HG   LYS   5          1HG       LYS   5   2.191   6.512   0.443
   40   1HD   LYS   5          2HD       LYS   5   4.022   7.982   0.724
   41   2HD   LYS   5          1HD       LYS   5   3.158   9.334  -0.007
   42   1HE   LYS   5          2HE       LYS   5   1.660   8.345   2.247
   43   2HE   LYS   5          1HE       LYS   5   3.317   8.689   2.744
   44   1HZ   LYS   5          2HZ       LYS   5   2.164  10.680   1.007
   45   2HZ   LYS   5          1HZ       LYS   5   1.373  10.532   2.503
   46   3HZ   LYS   5          3HZ       LYS   5   3.034  10.871   2.454
   47    H    ALA   6           H        ALA   6   4.186   5.475  -3.044
   48    HA   ALA   6           HA       ALA   6   4.655   2.969  -1.646
   49   1HB   ALA   6          3HB       ALA   6   6.014   4.590  -3.704
   50   2HB   ALA   6          2HB       ALA   6   7.104   3.698  -2.643
   51   3HB   ALA   6          1HB       ALA   6   5.870   2.838  -3.565
   52    HA   PRO   7           HA       PRO   7   6.782   4.471   1.884
   53   1HB   PRO   7          2HB       PRO   7   8.675   2.505   2.218
   54   2HB   PRO   7          1HB       PRO   7   6.956   2.280   2.581
   55   1HG   PRO   7          2HG       PRO   7   8.537   1.248   0.272
   56   2HG   PRO   7          1HG       PRO   7   7.071   0.586   1.013
   57   1HD   PRO   7          2HD       PRO   7   7.186   2.071  -1.396
   58   2HD   PRO   7          1HD       PRO   7   5.715   1.687  -0.471
   59    H    THR   8           H        THR   8   9.220   4.772   2.711
   60    HA   THR   8           HA       THR   8  10.609   6.252   0.560
   61    HB   THR   8           HB       THR   8  11.908   6.230   3.179
   62    HG1  THR   8           HG1      THR   8   9.431   7.511   3.172
   63   1HG2  THR   8          1HG2      THR   8  10.831   8.230   1.212
   64   2HG2  THR   8          3HG2      THR   8  11.322   8.753   2.823
   65   3HG2  THR   8          2HG2      THR   8  12.493   7.986   1.750
   66    H    PHE   9           H        PHE   9  12.342   5.402  -0.486
   67    HA   PHE   9           HA       PHE   9  13.375   2.783   0.330
   68   1HB   PHE   9          2HB       PHE   9  14.308   4.617  -1.902
   69   2HB   PHE   9          1HB       PHE   9  14.699   2.903  -1.719
   70    HD1  PHE   9           HD2      PHE   9  11.980   5.326  -2.417
   71    HD2  PHE   9           HD1      PHE   9  13.114   1.182  -2.295
   72    HE1  PHE   9           HE2      PHE   9   9.898   4.720  -3.624
   73    HE2  PHE   9           HE1      PHE   9  11.032   0.577  -3.501
   74    HZ   PHE   9           HZ       PHE   9   9.424   2.346  -4.166
   75    HA   PRO  10           HA       PRO  10  16.879   4.253   2.525
   76   1HB   PRO  10          2HB       PRO  10  18.578   2.132   2.106
   77   2HB   PRO  10          1HB       PRO  10  17.196   2.075   3.214
   78   1HG   PRO  10          2HG       PRO  10  17.490   0.841   0.514
   79   2HG   PRO  10          1HG       PRO  10  16.475   0.335   1.875
   80   1HD   PRO  10          2HD       PRO  10  15.593   1.737  -0.422
   81   2HD   PRO  10          1HD       PRO  10  14.675   1.516   1.085
   82    H    GLU  11           H        GLU  11  19.360   4.558   2.192
   83    HA   GLU  11           HA       GLU  11  19.799   6.013  -0.245
   84   1HB   GLU  11          2HB       GLU  11  22.159   6.148   0.539
   85   2HB   GLU  11          1HB       GLU  11  21.010   6.571   1.810
   86   1HG   GLU  11          2HG       GLU  11  21.143   4.015   2.398
   87   2HG   GLU  11          1HG       GLU  11  22.667   4.083   1.511
   88    H    SER  12           H        SER  12  21.028   2.852   0.891
   89    HA   SER  12           HA       SER  12  22.683   2.115  -1.178
   90   1HB   SER  12          2HB       SER  12  22.556   0.110  -0.158
   91   2HB   SER  12          1HB       SER  12  21.268   0.766   0.852
   92    HG   SER  12           HG       SER  12  20.730  -1.161  -0.392
   93    H    ILE  13           H        ILE  13  19.119   1.802  -1.211
   94    HA   ILE  13           HA       ILE  13  19.215   1.165  -4.098
   95    HB   ILE  13           HB       ILE  13  16.726   1.543  -2.427
   96   1HG1  ILE  13          2HG1      ILE  13  18.110  -1.111  -2.794
   97   2HG1  ILE  13          1HG1      ILE  13  18.519  -0.067  -1.432
   98   1HG2  ILE  13          1HG2      ILE  13  17.398   0.602  -5.109
   99   2HG2  ILE  13          3HG2      ILE  13  16.455  -0.584  -4.207
  100   3HG2  ILE  13          2HG2      ILE  13  15.828   1.048  -4.440
  101   1HD1  ILE  13          3HD1      ILE  13  15.721  -0.075  -1.495
  102   2HD1  ILE  13          2HD1      ILE  13  16.177  -1.747  -1.818
  103   3HD1  ILE  13          1HD1      ILE  13  16.745  -0.945  -0.353
  104    H    ALA  14           H        ALA  14  17.658   2.414  -5.539
  105    HA   ALA  14           HA       ALA  14  17.445   5.271  -4.690
  106   1HB   ALA  14          1HB       ALA  14  18.569   4.158  -7.268
  107   2HB   ALA  14          3HB       ALA  14  18.012   5.825  -7.124
  108   3HB   ALA  14          2HB       ALA  14  19.350   5.254  -6.127
  109    H    ASP  15           H        ASP  15  15.672   2.704  -5.310
  110    HA   ASP  15           HA       ASP  15  13.268   4.015  -5.882
  111   1HB   ASP  15          2HB       ASP  15  13.102   3.153  -8.375
  112   2HB   ASP  15          1HB       ASP  15  13.844   4.715  -8.028
  113    H    GLY  16           H        GLY  16  11.791   2.236  -7.303
  114   1HA   GLY  16          2HA       GLY  16  12.518  -0.483  -6.356
  115   2HA   GLY  16          1HA       GLY  16  10.984   0.198  -5.812
  116    H    THR  17           H        THR  17  10.080  -1.716  -7.003
  117    HA   THR  17           HA       THR  17   9.415  -0.906  -9.766
  118    HB   THR  17           HB       THR  17  10.711  -3.556  -9.067
  119    HG1  THR  17           HG1      THR  17  12.349  -2.429  -9.721
  120   1HG2  THR  17          3HG2      THR  17   9.266  -2.661 -11.572
  121   2HG2  THR  17          2HG2      THR  17  10.322  -4.071 -11.500
  122   3HG2  THR  17          1HG2      THR  17   8.849  -4.022 -10.533
  123    H    VAL  18           H        VAL  18   7.259  -1.233 -10.064
  124    HA   VAL  18           HA       VAL  18   5.510  -2.164  -8.084
  125    HB   VAL  18           HB       VAL  18   5.067  -2.389 -11.077
  126   1HG1  VAL  18          1HG1      VAL  18   3.434  -3.516  -9.480
  127   2HG1  VAL  18          3HG1      VAL  18   3.063  -1.907  -8.861
  128   3HG1  VAL  18          2HG1      VAL  18   2.732  -2.301 -10.549
  129   1HG2  VAL  18          3HG2      VAL  18   4.654  -0.068  -9.164
  130   2HG2  VAL  18          2HG2      VAL  18   5.804  -0.130 -10.499
  131   3HG2  VAL  18          1HG2      VAL  18   4.071  -0.109 -10.828
  132    H    ALA  19           H        ALA  19   4.346  -4.188  -7.863
  133    HA   ALA  19           HA       ALA  19   5.989  -6.516  -8.722
  134   1HB   ALA  19          2HB       ALA  19   3.786  -6.312  -6.645
  135   2HB   ALA  19          1HB       ALA  19   4.748  -7.753  -6.977
  136   3HB   ALA  19          3HB       ALA  19   5.517  -6.313  -6.309
  137    H    THR  20           H        THR  20   2.499  -6.291  -8.034
  138    HA   THR  20           HA       THR  20   1.794  -6.835 -10.821
  139    HB   THR  20           HB       THR  20   1.483  -8.975  -8.695
  140    HG1  THR  20           HG1      THR  20   3.413  -9.194  -9.671
  141   1HG2  THR  20          3HG2      THR  20  -0.552  -8.568 -10.189
  142   2HG2  THR  20          2HG2      THR  20   0.464  -9.080 -11.537
  143   3HG2  THR  20          1HG2      THR  20   0.120 -10.198 -10.218
  144    H    TRP  21           H        TRP  21  -0.203  -5.953 -11.166
  145    HA   TRP  21           HA       TRP  21  -1.735  -5.027  -8.831
  146   1HB   TRP  21          2HB       TRP  21  -1.642  -4.435 -11.753
  147   2HB   TRP  21          1HB       TRP  21  -3.166  -4.163 -10.914
  148    HD1  TRP  21           HD1      TRP  21   0.294  -2.769 -11.335
  149    HE1  TRP  21           HE1      TRP  21   0.536  -0.617  -9.924
  150    HE3  TRP  21           HE3      TRP  21  -4.012  -3.000  -8.596
  151    HZ2  TRP  21           HZ2      TRP  21  -0.880   0.800  -7.932
  152    HZ3  TRP  21           HZ3      TRP  21  -4.541  -1.227  -6.941
  153    HH2  TRP  21           HH2      TRP  21  -2.980   0.675  -6.605
  154    H    HIS  22           H        HIS  22  -2.495  -7.140  -8.127
  155    HA   HIS  22           HA       HIS  22  -3.776  -9.127  -9.584
  156   1HB   HIS  22          2HB       HIS  22  -5.210  -8.218  -7.114
  157   2HB   HIS  22          1HB       HIS  22  -4.766  -9.854  -7.617
  158    HD1  HIS  22           HD1      HIS  22  -3.305  -6.731  -6.095
  159    HD2  HIS  22           HD2      HIS  22  -2.215 -10.698  -6.752
  160    HE1  HIS  22           HE1      HIS  22  -1.098  -7.064  -4.932
  161    H    LYS  23           H        LYS  23  -5.572  -6.390  -8.118
  162    HA   LYS  23           HA       LYS  23  -7.731  -6.843 -10.101
  163   1HB   LYS  23          2HB       LYS  23  -7.600  -4.938  -7.742
  164   2HB   LYS  23          1HB       LYS  23  -9.026  -5.266  -8.727
  165   1HG   LYS  23          2HG       LYS  23  -7.529  -7.427  -7.226
  166   2HG   LYS  23          1HG       LYS  23  -8.905  -6.561  -6.543
  167   1HD   LYS  23          2HD       LYS  23 -10.349  -7.846  -7.693
  168   2HD   LYS  23          1HD       LYS  23  -9.543  -7.454  -9.212
  169   1HE   LYS  23          2HE       LYS  23  -7.786  -9.181  -8.605
  170   2HE   LYS  23          1HE       LYS  23  -8.837  -9.671  -7.275
  171   1HZ   LYS  23          2HZ       LYS  23 -10.348  -9.484  -9.642
  172   2HZ   LYS  23          1HZ       LYS  23  -8.984 -10.455  -9.937
  173   3HZ   LYS  23          3HZ       LYS  23 -10.050 -10.851  -8.678
  174    H    LYS  24           H        LYS  24  -8.755  -4.380 -10.539
  175    HA   LYS  24           HA       LYS  24  -6.482  -2.753 -11.597
  176   1HB   LYS  24          2HB       LYS  24  -8.897  -3.820 -13.027
  177   2HB   LYS  24          1HB       LYS  24  -8.218  -2.270 -13.525
  178   1HG   LYS  24          2HG       LYS  24  -6.473  -4.709 -13.183
  179   2HG   LYS  24          1HG       LYS  24  -7.316  -4.387 -14.699
  180   1HD   LYS  24          2HD       LYS  24  -5.680  -2.217 -13.416
  181   2HD   LYS  24          1HD       LYS  24  -4.882  -3.468 -14.368
  182   1HE   LYS  24          2HE       LYS  24  -6.978  -2.800 -16.002
  183   2HE   LYS  24          1HE       LYS  24  -6.606  -1.246 -15.256
  184   1HZ   LYS  24          1HZ       LYS  24  -4.179  -1.930 -15.803
  185   2HZ   LYS  24          3HZ       LYS  24  -4.909  -2.952 -16.943
  186   3HZ   LYS  24          2HZ       LYS  24  -5.165  -1.274 -17.020
  187    HA   PRO  25           HA       PRO  25  -8.638   0.693  -9.946
  188   1HB   PRO  25          2HB       PRO  25  -7.969   2.638 -11.770
  189   2HB   PRO  25          1HB       PRO  25  -6.838   1.990 -10.570
  190   1HG   PRO  25          2HG       PRO  25  -6.971   1.463 -13.504
  191   2HG   PRO  25          1HG       PRO  25  -5.576   1.391 -12.414
  192   1HD   PRO  25          2HD       PRO  25  -7.032  -0.831 -13.379
  193   2HD   PRO  25          1HD       PRO  25  -5.875  -0.851 -12.032
  194    H    GLY  26           H        GLY  26 -10.877   0.483 -10.109
  195   1HA   GLY  26          2HA       GLY  26 -12.650   1.921 -11.400
  196   2HA   GLY  26          1HA       GLY  26 -12.135   0.934 -12.773
  197    H    GLU  27           H        GLU  27 -11.745  -1.194 -10.428
  198    HA   GLU  27           HA       GLU  27 -14.496  -2.276 -10.759
  199   1HB   GLU  27          2HB       GLU  27 -13.528  -4.422 -10.102
  200   2HB   GLU  27          1HB       GLU  27 -12.555  -3.712 -11.390
  201   1HG   GLU  27          2HG       GLU  27 -10.744  -3.462 -10.045
  202   2HG   GLU  27          1HG       GLU  27 -11.721  -2.900  -8.687
  203    H    ALA  28           H        ALA  28 -14.820  -3.866  -8.599
  204    HA   ALA  28           HA       ALA  28 -14.833  -1.905  -6.348
  205   1HB   ALA  28          1HB       ALA  28 -16.977  -3.094  -7.336
  206   2HB   ALA  28          3HB       ALA  28 -16.440  -4.439  -6.330
  207   3HB   ALA  28          2HB       ALA  28 -16.808  -2.880  -5.593
  208    H    VAL  29           H        VAL  29 -14.155  -2.611  -4.255
  209    HA   VAL  29           HA       VAL  29 -12.722  -5.232  -4.198
  210    HB   VAL  29           HB       VAL  29 -10.856  -4.211  -3.028
  211   1HG1  VAL  29          3HG1      VAL  29 -11.195  -4.002  -5.628
  212   2HG1  VAL  29          2HG1      VAL  29 -11.378  -2.284  -5.275
  213   3HG1  VAL  29          1HG1      VAL  29  -9.883  -3.117  -4.849
  214   1HG2  VAL  29          2HG2      VAL  29 -12.662  -1.797  -3.069
  215   2HG2  VAL  29          1HG2      VAL  29 -11.807  -2.512  -1.702
  216   3HG2  VAL  29          3HG2      VAL  29 -10.915  -1.605  -2.924
  217    H    LYS  30           H        LYS  30 -11.899  -5.278  -1.605
  218    HA   LYS  30           HA       LYS  30 -14.155  -4.466   0.123
  219   1HB   LYS  30          2HB       LYS  30 -13.732  -7.199  -0.854
  220   2HB   LYS  30          1HB       LYS  30 -13.797  -7.097   0.906
  221   1HG   LYS  30          2HG       LYS  30 -15.927  -5.869   0.767
  222   2HG   LYS  30          1HG       LYS  30 -15.864  -5.948  -0.994
  223   1HD   LYS  30          2HD       LYS  30 -15.726  -8.495  -0.720
  224   2HD   LYS  30          1HD       LYS  30 -16.195  -8.229   0.960
  225   1HE   LYS  30          2HE       LYS  30 -17.805  -6.950  -1.226
  226   2HE   LYS  30          1HE       LYS  30 -18.049  -8.660  -0.865
  227   1HZ   LYS  30          2HZ       LYS  30 -17.924  -7.002   1.478
  228   2HZ   LYS  30          1HZ       LYS  30 -19.213  -6.598   0.446
  229   3HZ   LYS  30          3HZ       LYS  30 -19.068  -8.179   1.042
  230    H    ARG  31           H        ARG  31 -13.364  -3.888   2.101
  231    HA   ARG  31           HA       ARG  31 -10.706  -3.596   2.743
  232   1HB   ARG  31          2HB       ARG  31 -12.673  -2.779   4.099
  233   2HB   ARG  31          1HB       ARG  31 -12.799  -4.403   4.778
  234   1HG   ARG  31          2HG       ARG  31 -10.131  -3.884   5.117
  235   2HG   ARG  31          1HG       ARG  31 -10.829  -2.279   5.338
  236   1HD   ARG  31          2HD       ARG  31 -12.036  -4.666   6.720
  237   2HD   ARG  31          1HD       ARG  31 -10.639  -3.844   7.413
  238    HE   ARG  31           HE       ARG  31 -12.005  -1.869   7.722
  239   1HH1  ARG  31          2HH1      ARG  31 -13.827  -1.935   5.437
  240   2HH1  ARG  31          1HH1      ARG  31 -15.321  -2.477   6.126
  241   1HH2  ARG  31          1HH2      ARG  31 -13.849  -3.710   9.013
  242   2HH2  ARG  31          2HH2      ARG  31 -15.333  -3.482   8.151
  243    H    ASP  32           H        ASP  32  -9.086  -4.877   3.681
  244    HA   ASP  32           HA       ASP  32  -8.021  -6.845   4.423
  245   1HB   ASP  32          2HB       ASP  32 -10.363  -7.080   5.639
  246   2HB   ASP  32          1HB       ASP  32 -10.621  -8.337   4.429
  247    H    GLU  33           H        GLU  33  -8.371  -6.204   1.644
  248    HA   GLU  33           HA       GLU  33  -8.214  -8.959   0.527
  249   1HB   GLU  33          2HB       GLU  33 -10.479  -7.723   0.098
  250   2HB   GLU  33          1HB       GLU  33  -9.542  -6.764  -1.048
  251   1HG   GLU  33          2HG       GLU  33 -10.036  -8.440  -2.506
  252   2HG   GLU  33          1HG       GLU  33  -8.727  -9.294  -1.691
  253    H    LEU  34           H        LEU  34  -6.282  -9.158  -0.487
  254    HA   LEU  34           HA       LEU  34  -4.315  -7.254  -0.764
  255   1HB   LEU  34          2HB       LEU  34  -4.026  -9.672  -1.280
  256   2HB   LEU  34          1HB       LEU  34  -4.893  -9.428  -2.797
  257    HG   LEU  34           HG       LEU  34  -3.195  -7.864  -3.571
  258   1HD1  LEU  34          2HD1      LEU  34  -2.534  -7.835  -0.736
  259   2HD1  LEU  34          1HD1      LEU  34  -1.103  -8.117  -1.726
  260   3HD1  LEU  34          3HD1      LEU  34  -2.092  -6.682  -1.996
  261   1HD2  LEU  34          1HD2      LEU  34  -2.202 -10.493  -2.460
  262   2HD2  LEU  34          3HD2      LEU  34  -2.631 -10.102  -4.125
  263   3HD2  LEU  34          2HD2      LEU  34  -1.156  -9.444  -3.417
  264    H    ILE  35           H        ILE  35  -3.676  -5.777  -2.421
  265    HA   ILE  35           HA       ILE  35  -5.737  -5.228  -4.510
  266    HB   ILE  35           HB       ILE  35  -4.297  -3.115  -2.882
  267   1HG1  ILE  35          2HG1      ILE  35  -5.980  -4.423  -1.568
  268   2HG1  ILE  35          1HG1      ILE  35  -6.443  -2.735  -1.784
  269   1HG2  ILE  35          1HG2      ILE  35  -5.988  -3.116  -5.296
  270   2HG2  ILE  35          3HG2      ILE  35  -6.501  -1.970  -4.057
  271   3HG2  ILE  35          2HG2      ILE  35  -4.865  -1.889  -4.711
  272   1HD1  ILE  35          3HD1      ILE  35  -7.442  -4.143  -4.034
  273   2HD1  ILE  35          2HD1      ILE  35  -7.858  -5.100  -2.612
  274   3HD1  ILE  35          1HD1      ILE  35  -8.370  -3.416  -2.723
  275    H    VAL  36           H        VAL  36  -2.383  -4.680  -3.433
  276    HA   VAL  36           HA       VAL  36  -1.411  -5.175  -6.139
  277    HB   VAL  36           HB       VAL  36  -2.040  -2.848  -6.429
  278   1HG1  VAL  36          2HG1      VAL  36  -2.134  -2.260  -4.027
  279   2HG1  VAL  36          1HG1      VAL  36  -0.374  -2.330  -3.946
  280   3HG1  VAL  36          3HG1      VAL  36  -1.164  -1.099  -4.933
  281   1HG2  VAL  36          1HG2      VAL  36   0.928  -3.263  -5.967
  282   2HG2  VAL  36          3HG2      VAL  36   0.051  -3.436  -7.488
  283   3HG2  VAL  36          2HG2      VAL  36   0.258  -1.840  -6.764
  284    H    ASP  37           H        ASP  37   0.837  -5.610  -6.135
  285    HA   ASP  37           HA       ASP  37   2.036  -5.765  -3.405
  286   1HB   ASP  37          2HB       ASP  37   2.248  -7.448  -5.868
  287   2HB   ASP  37          1HB       ASP  37   3.656  -7.348  -4.812
  288    H    ILE  38           H        ILE  38   4.302  -5.179  -3.187
  289    HA   ILE  38           HA       ILE  38   5.257  -3.356  -5.362
  290    HB   ILE  38           HB       ILE  38   5.662  -3.026  -2.373
  291   1HG1  ILE  38          2HG1      ILE  38   3.310  -2.635  -3.228
  292   2HG1  ILE  38          1HG1      ILE  38   4.070  -1.215  -2.509
  293   1HG2  ILE  38          3HG2      ILE  38   6.560  -1.505  -4.813
  294   2HG2  ILE  38          2HG2      ILE  38   6.357  -0.679  -3.268
  295   3HG2  ILE  38          1HG2      ILE  38   7.509  -2.007  -3.414
  296   1HD1  ILE  38          1HD1      ILE  38   4.571  -1.547  -5.400
  297   2HD1  ILE  38          3HD1      ILE  38   2.889  -1.231  -4.975
  298   3HD1  ILE  38          2HD1      ILE  38   4.149  -0.097  -4.490
  299    H    GLU  39           H        GLU  39   7.517  -3.390  -5.768
  300    HA   GLU  39           HA       GLU  39   8.909  -5.768  -4.615
  301   1HB   GLU  39          2HB       GLU  39   8.501  -5.196  -7.234
  302   2HB   GLU  39          1HB       GLU  39  10.048  -4.386  -6.982
  303   1HG   GLU  39          2HG       GLU  39  11.128  -6.359  -6.988
  304   2HG   GLU  39          1HG       GLU  39  10.095  -6.959  -5.689
  305    H    THR  40           H        THR  40  10.185  -5.126  -2.935
  306    HA   THR  40           HA       THR  40  11.515  -2.473  -3.074
  307    HB   THR  40           HB       THR  40  11.950  -2.752  -0.711
  308    HG1  THR  40           HG1      THR  40  11.214  -4.778   0.252
  309   1HG2  THR  40          2HG2      THR  40   9.220  -3.430  -1.725
  310   2HG2  THR  40          1HG2      THR  40   9.515  -3.514   0.012
  311   3HG2  THR  40          3HG2      THR  40   9.767  -1.998  -0.853
  312    H    ASP  41           H        ASP  41  13.651  -3.408  -1.236
  313    HA   ASP  41           HA       ASP  41  15.768  -3.821  -2.945
  314   1HB   ASP  41          2HB       ASP  41  15.571  -3.729  -0.267
  315   2HB   ASP  41          1HB       ASP  41  15.827  -5.464  -0.462
  316    H    LYS  42           H        LYS  42  14.429  -6.596  -1.124
  317    HA   LYS  42           HA       LYS  42  14.462  -8.196  -3.621
  318   1HB   LYS  42          2HB       LYS  42  16.102  -8.767  -1.149
  319   2HB   LYS  42          1HB       LYS  42  15.640 -10.048  -2.271
  320   1HG   LYS  42          2HG       LYS  42  16.583  -8.368  -4.083
  321   2HG   LYS  42          1HG       LYS  42  17.477  -7.719  -2.706
  322   1HD   LYS  42          2HD       LYS  42  18.572  -9.787  -2.303
  323   2HD   LYS  42          1HD       LYS  42  17.443 -10.675  -3.327
  324   1HE   LYS  42          2HE       LYS  42  18.368  -8.948  -5.159
  325   2HE   LYS  42          1HE       LYS  42  19.776  -8.984  -4.096
  326   1HZ   LYS  42          1HZ       LYS  42  19.137 -11.585  -4.274
  327   2HZ   LYS  42          3HZ       LYS  42  18.717 -11.040  -5.824
  328   3HZ   LYS  42          2HZ       LYS  42  20.298 -10.812  -5.244
  329    H    VAL  43           H        VAL  43  12.450  -7.130  -1.621
  330    HA   VAL  43           HA       VAL  43  11.121  -9.749  -1.114
  331    HB   VAL  43           HB       VAL  43  11.143  -7.439   0.850
  332   1HG1  VAL  43          1HG1      VAL  43   9.943 -10.211   0.830
  333   2HG1  VAL  43          3HG1      VAL  43  10.236  -9.340   2.336
  334   3HG1  VAL  43          2HG1      VAL  43   9.136  -8.672   1.130
  335   1HG2  VAL  43          3HG2      VAL  43  12.632 -10.085   0.882
  336   2HG2  VAL  43          2HG2      VAL  43  13.358  -8.483   0.750
  337   3HG2  VAL  43          1HG2      VAL  43  12.546  -8.963   2.240
  338    H    VAL  44           H        VAL  44   9.038  -9.744  -1.844
  339    HA   VAL  44           HA       VAL  44   7.947  -7.200  -2.882
  340    HB   VAL  44           HB       VAL  44   6.519  -9.838  -3.051
  341   1HG1  VAL  44          1HG1      VAL  44   5.546  -7.683  -3.919
  342   2HG1  VAL  44          3HG1      VAL  44   6.897  -7.591  -5.049
  343   3HG1  VAL  44          2HG1      VAL  44   5.747  -8.924  -5.156
  344   1HG2  VAL  44          2HG2      VAL  44   9.160  -9.138  -4.208
  345   2HG2  VAL  44          1HG2      VAL  44   8.456 -10.724  -3.890
  346   3HG2  VAL  44          3HG2      VAL  44   7.993  -9.827  -5.337
  347    H    MET  45           H        MET  45   6.894  -5.995  -1.364
  348    HA   MET  45           HA       MET  45   5.558  -7.249   0.917
  349   1HB   MET  45          2HB       MET  45   5.941  -4.420  -0.041
  350   2HB   MET  45          1HB       MET  45   4.787  -4.775   1.245
  351   1HG   MET  45          2HG       MET  45   6.932  -6.198   2.114
  352   2HG   MET  45          1HG       MET  45   7.748  -4.873   1.286
  353   1HE   MET  45          3HE       MET  45   7.850  -5.789   4.127
  354   2HE   MET  45          2HE       MET  45   7.279  -4.647   5.341
  355   3HE   MET  45          1HE       MET  45   6.186  -5.882   4.721
  356    H    GLU  46           H        GLU  46   3.223  -6.746   1.381
  357    HA   GLU  46           HA       GLU  46   1.645  -6.913  -1.151
  358   1HB   GLU  46          2HB       GLU  46   0.628  -7.669   1.588
  359   2HB   GLU  46          1HB       GLU  46   0.045  -8.207   0.012
  360   1HG   GLU  46          2HG       GLU  46   1.434  -9.973   0.090
  361   2HG   GLU  46          1HG       GLU  46   2.818  -8.885   0.217
  362    H    VAL  47           H        VAL  47  -0.149  -5.538  -1.420
  363    HA   VAL  47           HA       VAL  47  -0.381  -3.352   0.612
  364    HB   VAL  47           HB       VAL  47  -0.999  -3.095  -2.340
  365   1HG1  VAL  47          2HG1      VAL  47  -0.499  -1.112  -0.100
  366   2HG1  VAL  47          1HG1      VAL  47  -0.701  -0.671  -1.796
  367   3HG1  VAL  47          3HG1      VAL  47  -2.034  -1.414  -0.913
  368   1HG2  VAL  47          1HG2      VAL  47   1.399  -3.706  -1.970
  369   2HG2  VAL  47          3HG2      VAL  47   1.205  -2.070  -2.602
  370   3HG2  VAL  47          2HG2      VAL  47   1.554  -2.319  -0.891
  371    H    LEU  48           H        LEU  48  -2.183  -4.042   1.751
  372    HA   LEU  48           HA       LEU  48  -4.540  -5.029   0.259
  373   1HB   LEU  48          2HB       LEU  48  -3.490  -5.353   2.928
  374   2HB   LEU  48          1HB       LEU  48  -5.150  -4.760   3.009
  375    HG   LEU  48           HG       LEU  48  -5.626  -6.583   1.198
  376   1HD1  LEU  48          2HD1      LEU  48  -3.130  -7.036   0.946
  377   2HD1  LEU  48          1HD1      LEU  48  -3.201  -7.809   2.530
  378   3HD1  LEU  48          3HD1      LEU  48  -4.141  -8.461   1.188
  379   1HD2  LEU  48          3HD2      LEU  48  -6.283  -6.499   3.701
  380   2HD2  LEU  48          2HD2      LEU  48  -6.289  -8.077   2.914
  381   3HD2  LEU  48          1HD2      LEU  48  -4.940  -7.616   3.953
  382    H    ALA  49           H        ALA  49  -6.627  -3.991   0.483
  383    HA   ALA  49           HA       ALA  49  -6.463  -1.091   0.450
  384   1HB   ALA  49          2HB       ALA  49  -8.146  -2.832  -0.727
  385   2HB   ALA  49          1HB       ALA  49  -9.109  -2.436   0.697
  386   3HB   ALA  49          3HB       ALA  49  -8.597  -1.158  -0.404
  387    H    GLU  50           H        GLU  50  -7.059   0.341   2.064
  388    HA   GLU  50           HA       GLU  50  -7.407  -0.804   4.761
  389   1HB   GLU  50          2HB       GLU  50  -6.277   1.590   3.679
  390   2HB   GLU  50          1HB       GLU  50  -7.579   2.048   4.776
  391   1HG   GLU  50          2HG       GLU  50  -6.101  -0.100   5.967
  392   2HG   GLU  50          1HG       GLU  50  -4.964   1.146   5.454
  393    H    ALA  51           H        ALA  51  -9.525  -0.520   2.432
  394    HA   ALA  51           HA       ALA  51 -11.842  -0.477   4.003
  395   1HB   ALA  51          1HB       ALA  51 -10.722   2.169   3.627
  396   2HB   ALA  51          3HB       ALA  51 -12.319   2.065   2.885
  397   3HB   ALA  51          2HB       ALA  51 -12.113   1.681   4.595
  398    H    ASP  52           H        ASP  52 -13.742  -0.664   2.696
  399    HA   ASP  52           HA       ASP  52 -13.184  -1.386  -0.078
  400   1HB   ASP  52          2HB       ASP  52 -14.785  -2.812   0.752
  401   2HB   ASP  52          1HB       ASP  52 -15.509  -1.588   1.787
  402    H    GLY  53           H        GLY  53 -14.774  -0.530  -1.793
  403   1HA   GLY  53          2HA       GLY  53 -16.236   1.726  -1.921
  404   2HA   GLY  53          1HA       GLY  53 -14.626   2.423  -1.714
  405    H    VAL  54           H        VAL  54 -14.225   3.254  -3.745
  406    HA   VAL  54           HA       VAL  54 -14.115   1.269  -5.968
  407    HB   VAL  54           HB       VAL  54 -15.350   4.033  -6.042
  408   1HG1  VAL  54          1HG1      VAL  54 -14.059   2.408  -8.164
  409   2HG1  VAL  54          3HG1      VAL  54 -15.636   3.087  -8.569
  410   3HG1  VAL  54          2HG1      VAL  54 -14.317   4.150  -8.081
  411   1HG2  VAL  54          3HG2      VAL  54 -16.410   1.453  -5.687
  412   2HG2  VAL  54          2HG2      VAL  54 -17.312   2.918  -6.076
  413   3HG2  VAL  54          1HG2      VAL  54 -16.748   1.860  -7.369
  414    H    ILE  55           H        ILE  55 -12.115   1.279  -6.870
  415    HA   ILE  55           HA       ILE  55 -10.067   3.094  -6.021
  416    HB   ILE  55           HB       ILE  55 -10.090   1.383  -8.522
  417   1HG1  ILE  55          2HG1      ILE  55 -10.689   0.202  -6.331
  418   2HG1  ILE  55          1HG1      ILE  55  -9.283  -0.429  -7.186
  419   1HG2  ILE  55          1HG2      ILE  55  -8.003   2.833  -6.931
  420   2HG2  ILE  55          3HG2      ILE  55  -7.565   1.319  -7.724
  421   3HG2  ILE  55          2HG2      ILE  55  -8.165   2.675  -8.680
  422   1HD1  ILE  55          1HD1      ILE  55  -8.698   1.753  -5.282
  423   2HD1  ILE  55          3HD1      ILE  55  -9.277   0.259  -4.543
  424   3HD1  ILE  55          2HD1      ILE  55  -7.836   0.241  -5.560
  425    H    ALA  56           H        ALA  56  -8.866   4.592  -7.484
  426    HA   ALA  56           HA       ALA  56 -10.784   6.052  -9.238
  427   1HB   ALA  56          1HB       ALA  56  -9.636   7.235  -7.296
  428   2HB   ALA  56          3HB       ALA  56  -8.127   7.054  -8.190
  429   3HB   ALA  56          2HB       ALA  56  -9.446   8.008  -8.870
  430    H    GLU  57           H        GLU  57  -7.227   5.615  -9.193
  431    HA   GLU  57           HA       GLU  57  -7.177   4.336 -11.784
  432   1HB   GLU  57          2HB       GLU  57  -7.472   7.140 -11.839
  433   2HB   GLU  57          1HB       GLU  57  -5.775   6.834 -12.209
  434   1HG   GLU  57          2HG       GLU  57  -6.381   5.316 -14.004
  435   2HG   GLU  57          1HG       GLU  57  -8.088   5.429 -13.575
  436    H    ILE  58           H        ILE  58  -5.144   3.437 -12.131
  437    HA   ILE  58           HA       ILE  58  -3.171   3.865  -9.961
  438    HB   ILE  58           HB       ILE  58  -3.284   1.804 -12.185
  439   1HG1  ILE  58          2HG1      ILE  58  -5.059   1.400 -10.617
  440   2HG1  ILE  58          1HG1      ILE  58  -3.756   0.285 -10.190
  441   1HG2  ILE  58          2HG2      ILE  58  -0.977   2.341 -11.388
  442   2HG2  ILE  58          1HG2      ILE  58  -1.487   1.947  -9.746
  443   3HG2  ILE  58          3HG2      ILE  58  -1.470   0.695 -10.988
  444   1HD1  ILE  58          3HD1      ILE  58  -2.957   2.034  -8.528
  445   2HD1  ILE  58          2HD1      ILE  58  -4.465   2.897  -8.834
  446   3HD1  ILE  58          1HD1      ILE  58  -4.502   1.278  -8.136
  447    H    VAL  59           H        VAL  59  -1.283   4.960 -10.298
  448    HA   VAL  59           HA       VAL  59  -0.824   6.113 -12.980
  449    HB   VAL  59           HB       VAL  59   0.501   6.575 -10.293
  450   1HG1  VAL  59          2HG1      VAL  59   2.112   6.862 -12.154
  451   2HG1  VAL  59          1HG1      VAL  59   0.986   7.964 -12.946
  452   3HG1  VAL  59          3HG1      VAL  59   1.712   8.406 -11.401
  453   1HG2  VAL  59          2HG2      VAL  59  -1.534   8.028 -11.976
  454   2HG2  VAL  59          1HG2      VAL  59  -1.607   7.626 -10.262
  455   3HG2  VAL  59          3HG2      VAL  59  -0.536   8.911 -10.821
  456    H    LYS  60           H        LYS  60   0.763   3.936 -10.670
  457    HA   LYS  60           HA       LYS  60   2.971   3.486 -12.597
  458   1HB   LYS  60          2HB       LYS  60   2.672   3.307  -9.734
  459   2HB   LYS  60          1HB       LYS  60   3.221   1.755 -10.369
  460   1HG   LYS  60          2HG       LYS  60   5.164   3.145  -9.884
  461   2HG   LYS  60          1HG       LYS  60   5.014   2.953 -11.632
  462   1HD   LYS  60          2HD       LYS  60   3.474   5.234 -10.710
  463   2HD   LYS  60          1HD       LYS  60   5.165   5.376 -10.222
  464   1HE   LYS  60          2HE       LYS  60   4.439   4.570 -13.033
  465   2HE   LYS  60          1HE       LYS  60   4.487   6.271 -12.568
  466   1HZ   LYS  60          3HZ       LYS  60   6.770   4.778 -11.672
  467   2HZ   LYS  60          2HZ       LYS  60   6.616   4.799 -13.364
  468   3HZ   LYS  60          1HZ       LYS  60   6.700   6.259 -12.497
  469    H    ASN  61           H        ASN  61   2.877   1.803 -14.001
  470    HA   ASN  61           HA       ASN  61   0.711  -0.183 -13.700
  471   1HB   ASN  61          2HB       ASN  61   2.621   0.572 -15.898
  472   2HB   ASN  61          1HB       ASN  61   1.775  -0.974 -15.960
  473   1HD2  ASN  61          2HD2      ASN  61  -0.286   2.488 -16.618
  474   2HD2  ASN  61          1HD2      ASN  61   1.346   2.531 -16.124
  475    H    GLU  62           H        GLU  62   1.471  -2.527 -14.413
  476    HA   GLU  62           HA       GLU  62   3.367  -3.402 -12.390
  477   1HB   GLU  62          2HB       GLU  62   2.243  -5.056 -14.663
  478   2HB   GLU  62          1HB       GLU  62   2.827  -5.627 -13.100
  479   1HG   GLU  62          2HG       GLU  62   0.977  -4.664 -11.943
  480   2HG   GLU  62          1HG       GLU  62   0.496  -3.718 -13.355
  481    H    GLY  63           H        GLY  63   5.388  -4.494 -12.817
  482   1HA   GLY  63          2HA       GLY  63   7.432  -4.805 -13.931
  483   2HA   GLY  63          1HA       GLY  63   6.527  -4.707 -15.446
  484    H    ASP  64           H        ASP  64   6.062  -2.031 -13.369
  485    HA   ASP  64           HA       ASP  64   7.824  -0.405 -15.141
  486   1HB   ASP  64          2HB       ASP  64   5.764   0.599 -15.337
  487   2HB   ASP  64          1HB       ASP  64   5.237   0.099 -13.731
  488    H    THR  65           H        THR  65   8.731   1.591 -13.959
  489    HA   THR  65           HA       THR  65  10.003   0.622 -11.443
  490    HB   THR  65           HB       THR  65  10.813   3.042 -13.066
  491    HG1  THR  65           HG1      THR  65  11.988   0.496 -13.293
  492   1HG2  THR  65          1HG2      THR  65  11.997   1.370 -10.879
  493   2HG2  THR  65          3HG2      THR  65  13.074   2.159 -12.030
  494   3HG2  THR  65          2HG2      THR  65  11.969   3.125 -11.052
  495    H    VAL  66           H        VAL  66   9.732   1.732  -9.520
  496    HA   VAL  66           HA       VAL  66   7.928   4.119  -9.623
  497    HB   VAL  66           HB       VAL  66   7.026   3.453  -7.498
  498   1HG1  VAL  66          2HG1      VAL  66   6.650   2.008  -9.765
  499   2HG1  VAL  66          1HG1      VAL  66   7.221   0.739  -8.681
  500   3HG1  VAL  66          3HG1      VAL  66   5.793   1.683  -8.258
  501   1HG2  VAL  66          3HG2      VAL  66   9.475   1.752  -7.450
  502   2HG2  VAL  66          2HG2      VAL  66   8.705   2.649  -6.141
  503   3HG2  VAL  66          1HG2      VAL  66   8.035   1.104  -6.664
  504    H    LEU  67           H        LEU  67   8.251   5.506  -7.534
  505    HA   LEU  67           HA       LEU  67  11.132   5.572  -6.767
  506   1HB   LEU  67          2HB       LEU  67   9.470   7.831  -7.893
  507   2HB   LEU  67          1HB       LEU  67  10.916   8.131  -6.928
  508    HG   LEU  67           HG       LEU  67  11.420   6.112  -8.955
  509   1HD1  LEU  67          1HD1      LEU  67   9.843   8.456  -9.736
  510   2HD1  LEU  67          3HD1      LEU  67  11.365   8.332 -10.618
  511   3HD1  LEU  67          2HD1      LEU  67  10.214   6.996 -10.655
  512   1HD2  LEU  67          2HD2      LEU  67  12.988   7.668  -7.582
  513   2HD2  LEU  67          1HD2      LEU  67  13.384   7.382  -9.276
  514   3HD2  LEU  67          3HD2      LEU  67  12.597   8.886  -8.796
  515    H    SER  68           H        SER  68  11.188   7.617  -5.031
  516    HA   SER  68           HA       SER  68   9.697   6.626  -2.771
  517   1HB   SER  68          2HB       SER  68  11.834   8.468  -3.227
  518   2HB   SER  68          1HB       SER  68  10.598   9.293  -2.282
  519    HG   SER  68           HG       SER  68  11.035   8.035  -0.651
  520    H    GLY  69           H        GLY  69   7.944   7.642  -1.670
  521   1HA   GLY  69          2HA       GLY  69   5.840   8.691  -1.651
  522   2HA   GLY  69          1HA       GLY  69   6.729  10.093  -2.250
  523    H    GLU  70           H        GLU  70   6.560   7.082  -4.047
  524    HA   GLU  70           HA       GLU  70   5.417   8.508  -6.332
  525   1HB   GLU  70          2HB       GLU  70   7.115   6.820  -6.755
  526   2HB   GLU  70          1HB       GLU  70   6.158   5.597  -5.919
  527   1HG   GLU  70          2HG       GLU  70   5.811   5.302  -8.293
  528   2HG   GLU  70          1HG       GLU  70   4.331   5.984  -7.614
  529    H    LEU  71           H        LEU  71   3.251   8.861  -6.411
  530    HA   LEU  71           HA       LEU  71   1.347   7.424  -4.807
  531   1HB   LEU  71          2HB       LEU  71   0.850   9.681  -5.561
  532   2HB   LEU  71          1HB       LEU  71   0.975   9.184  -7.248
  533    HG   LEU  71           HG       LEU  71  -0.864   7.395  -6.145
  534   1HD1  LEU  71          2HD1      LEU  71  -0.820   9.852  -4.611
  535   2HD1  LEU  71          1HD1      LEU  71  -2.364   9.676  -5.446
  536   3HD1  LEU  71          3HD1      LEU  71  -1.799   8.406  -4.361
  537   1HD2  LEU  71          1HD2      LEU  71  -1.018   9.851  -7.876
  538   2HD2  LEU  71          3HD2      LEU  71  -1.240   8.160  -8.326
  539   3HD2  LEU  71          2HD2      LEU  71  -2.498   9.005  -7.424
  540    H    LEU  72           H        LEU  72   0.686   5.366  -5.160
  541    HA   LEU  72           HA       LEU  72   1.073   4.141  -7.814
  542   1HB   LEU  72          2HB       LEU  72  -0.197   2.805  -5.425
  543   2HB   LEU  72          1HB       LEU  72   0.709   2.064  -6.746
  544    HG   LEU  72           HG       LEU  72   1.988   4.049  -4.863
  545   1HD1  LEU  72          3HD1      LEU  72   1.532   1.089  -4.534
  546   2HD1  LEU  72          2HD1      LEU  72   2.954   1.859  -3.832
  547   3HD1  LEU  72          1HD1      LEU  72   1.339   2.374  -3.343
  548   1HD2  LEU  72          2HD2      LEU  72   2.936   3.261  -7.176
  549   2HD2  LEU  72          1HD2      LEU  72   4.010   3.283  -5.777
  550   3HD2  LEU  72          3HD2      LEU  72   3.299   1.764  -6.320
  551    H    GLY  73           H        GLY  73  -1.523   5.355  -5.799
  552   1HA   GLY  73          2HA       GLY  73  -3.369   5.593  -7.934
  553   2HA   GLY  73          1HA       GLY  73  -3.713   4.067  -7.110
  554    H    LYS  74           H        LYS  74  -5.677   5.950  -7.023
  555    HA   LYS  74           HA       LYS  74  -5.510   6.925  -4.201
  556   1HB   LYS  74          2HB       LYS  74  -6.658   8.323  -6.628
  557   2HB   LYS  74          1HB       LYS  74  -7.041   8.809  -4.976
  558   1HG   LYS  74          2HG       LYS  74  -4.521   8.956  -4.580
  559   2HG   LYS  74          1HG       LYS  74  -4.336   8.812  -6.329
  560   1HD   LYS  74          2HD       LYS  74  -6.291  10.751  -6.084
  561   2HD   LYS  74          1HD       LYS  74  -5.217  11.109  -4.732
  562   1HE   LYS  74          2HE       LYS  74  -3.662  11.952  -6.124
  563   2HE   LYS  74          1HE       LYS  74  -3.661  10.470  -7.079
  564   1HZ   LYS  74          2HZ       LYS  74  -5.785  11.349  -8.095
  565   2HZ   LYS  74          1HZ       LYS  74  -5.395  12.846  -7.391
  566   3HZ   LYS  74          3HZ       LYS  74  -4.351  12.149  -8.533
  567    H    LEU  75           H        LEU  75  -7.237   6.327  -2.941
  568    HA   LEU  75           HA       LEU  75  -9.322   4.662  -4.220
  569   1HB   LEU  75          2HB       LEU  75  -8.075   4.006  -2.080
  570   2HB   LEU  75          1HB       LEU  75  -9.020   5.254  -1.269
  571    HG   LEU  75           HG       LEU  75 -10.797   3.685  -2.873
  572   1HD1  LEU  75          2HD1      LEU  75  -8.951   2.113  -1.053
  573   2HD1  LEU  75          1HD1      LEU  75 -10.490   1.503  -1.663
  574   3HD1  LEU  75          3HD1      LEU  75  -9.182   1.877  -2.785
  575   1HD2  LEU  75          1HD2      LEU  75 -10.371   3.963   0.119
  576   2HD2  LEU  75          3HD2      LEU  75 -11.457   4.928  -0.882
  577   3HD2  LEU  75          2HD2      LEU  75 -11.789   3.216  -0.619
  578    H    THR  76           H        THR  76 -11.553   5.158  -4.075
  579    HA   THR  76           HA       THR  76 -12.115   8.034  -3.547
  580    HB   THR  76           HB       THR  76 -13.973   6.041  -4.858
  581    HG1  THR  76           HG1      THR  76 -12.853   6.203  -6.623
  582   1HG2  THR  76          1HG2      THR  76 -13.764   9.029  -4.637
  583   2HG2  THR  76          3HG2      THR  76 -14.585   8.305  -6.020
  584   3HG2  THR  76          2HG2      THR  76 -15.168   7.993  -4.385
  585    H    GLU  77           H        GLU  77 -14.411   8.407  -2.612
  586    HA   GLU  77           HA       GLU  77 -14.556   7.279  -0.008
  587   1HB   GLU  77          2HB       GLU  77 -16.605   8.715  -1.710
  588   2HB   GLU  77          1HB       GLU  77 -16.937   8.214  -0.050
  589   1HG   GLU  77          2HG       GLU  77 -14.389   9.676  -0.486
  590   2HG   GLU  77          1HG       GLU  77 -15.867  10.621  -0.671
  591    H    GLY  78           H        GLY  78 -17.121   6.838  -2.459
  592   1HA   GLY  78          2HA       GLY  78 -17.464   4.393  -3.180
  593   2HA   GLY  78          1HA       GLY  78 -17.410   4.037  -1.453
  594    H    GLY  79           HN       GLY  79 -19.644   3.626  -3.352
  595   1HA   GLY  79          2HA       GLY  79 -21.719   4.962  -1.731
  596   2HA   GLY  79          1HA       GLY  79 -21.743   5.312  -3.460
   
  No H/Q in entry =         596