*HEADER   HYDROXYLASE                             19-SEP-96   1HQI    
*TITLE    COMPONENT P2 FROM THE MULTICOMPONENT PHENOL HYDROXYLASE,    
*TITLE   2 NMR, 11 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: PHENOL HYDROXYLASE P2 PROTEIN;                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 EC: 1.14.13.7;                                             
*COMPND  5 BIOLOGICAL_UNIT: THE MULTICOMPONENT ENZYME IS FORMED BY P0,
*COMPND  6 P1, P2, P3, P4 AND P5 POLYPEPTIDES                         
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.;                      
*SOURCE  3 STRAIN: CF600                                              
*KEYWDS   AROMATIC HYDROCARBONS CATABOLISM, OXIDOREDUCTASE,           
*KEYWDS  2 MONOOXYGENASE FLAVOPROTEIN, FAD, IRON, PLASMID, HYDROXYLASE
*EXPDTA   NMR, 12 STRUCTURES                                          
*AUTHOR   H.QIAN,I.SETHON                                             
*REVDAT  1   23-DEC-96 1HQI    0                                      

assign (resid 1 and name HT# ) (resid 1 and name HA ) 4 2.2 1
assign (resid 1 and name HA ) (resid 2 and name HN ) 4 2.2 1
assign (resid 2 and name HN ) (resid 2 and name HA ) 4 2.2 1
assign (resid 2 and name HA ) (resid 3 and name HN ) 4 2.2 1
assign (resid 3 and name HN ) (resid 3 and name HA ) 4 2.2 1
assign (resid 3 and name HA ) (resid 3 and name HB1 ) 3.0 1.2 0.7
assign (resid 3 and name HA ) (resid 3 and name HB2 ) 3.0 1.2 0.7
assign (resid 3 and name HA ) (resid 44 and name HA ) 4 2.2 1
assign (resid 3 and name HB# ) (resid 44 and name HA ) 4 3.2 2
assign (resid 3 and name HB# ) (resid 45 and name HA ) 4 3.2 2
assign (resid 3 and name HA ) (resid 4 and name HN ) 4 2.2 1
!L4 intra              
assign (resid 4 and name HN ) (resid 4 and name HA ) 2.5 0.7 0.5
assign (resid 4 and name HN ) (resid 4 and name HB1 ) 3.0 1.2 0.6
assign (resid 4 and name HN ) (resid 4 and name HB2 ) 3.0 1.2 0.6
assign (resid 4 and name HN ) (resid 4 and name HD# ) 4 3.2 3
assign (resid 4 and name HA ) (resid 4 and name HB# ) 2.5 1.3 1.1
assign (resid 4 and name HA ) (resid 4 and name HG ) 3.0 2.2 1.6
!L4 Seq              
assign (resid 4 and name HA ) (resid 5 and name HN ) 2.5 0.7 0.5
assign (resid 4 and name HB1 ) (resid 5 and name HN ) 3.0 1.2 0.6
assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.6
assign (resid 4 and name HD# ) (resid 5 and name HN ) 4 3.2 1
assign (resid 4 and name HN ) (resid 5 and name HN ) 4 2.2 1
assign (resid 4 and name HB# ) (resid 5 and name HA ) 4 3.2 2
!L4 Long              
assign (resid 4 and name HB1 ) (resid 43 and name HN ) 4 2.2 1
assign (resid 4 and name HB2 ) (resid 43 and name HN ) 4 2.2 1
assign (resid 4 and name HN ) (resid 43 and name HA ) 4.0 2.2 1
assign (resid 4 and name HA ) (resid 44 and name HN ) 3.0 1.2 0.6
assign (resid 4 and name HB# ) (resid 42 and name HA ) 4 3.2 2
               
!V5 intra              
assign (resid 5 and name HN ) (resid 5 and name HA ) 2.5 0.7 0.5
assign (resid 5 and name HN ) (resid 5 and name HB ) 3.0 1.2 0.6
assign (resid 5 and name HN ) (resid 5 and name HG# ) 4 3.8 2.6
!V5 inter              
assign (resid 5 and name HA ) (resid 6 and name HN ) 2.5 0.7 0.5
assign (resid 5 and name HB ) (resid 6 and name HN ) 3.0 1.2 0.6
assign (resid 5 and name HG# ) (resid 6 and name HN ) 4 4.2 3
assign (resid 5 and name HA ) (resid 6 and name HD# ) 4 4.2 3
assign (resid 5 and name HB ) (resid 6 and name HA ) 4 2.2 1
assign (resid 5 and name HG1# ) (resid 6 and name HA ) 4 2.2 2.5
assign (resid 5 and name HG2# ) (resid 6 and name HA ) 4 2.2 2.5
!V5 Long              
assign (resid 5 and name HG1# ) (resid 41 and name HA ) 4 3.2 2.5
assign (resid 5 and name HG2# ) (resid 41 and name HA ) 4 3.2 2.5
assign (resid 5 and name HB ) (resid 42 and name HB# ) 4 3.2 2.5
assign (resid 5 and name HG# ) (resid 42 and name HN ) 4 3.6 3.9
assign (resid 5 and name HG1# ) (resid 43 and name HN ) 4.0 3.2 2.5
assign (resid 5 and name HG2# ) (resid 43 and name HN ) 4.0 3.2 2.5
assign (resid 5 and name HG# ) (resid 42 and name HB# ) 4 5.2 4
assign (resid 5 and name HN ) (resid 43 and name HA ) 3.0 1.2 0.6
assign (resid 5 and name HN ) (resid 42 and name HN ) 3.0 1.2 0.6
assign (resid 5 and name HA ) (resid 75 and name HN ) 4.0 2.2 1
assign (resid 5 and name HG1# ) (resid 75 and name HN ) 4 3.2 2.5
assign (resid 5 and name HG2# ) (resid 75 and name HN ) 4 3.2 2.5
assign (resid 5 and name HG1# ) (resid 44 and name HN ) 4 3.2 2.5
assign (resid 5 and name HG2# ) (resid 75 and name HN ) 4 3.2 2.5
assign (resid 5 and name HG# ) (resid 75 and name HA# ) 4 3.2 3.5
!Y6 intra              
assign (resid 6 and name HN ) (resid 6 and name HA ) 2.5 0.7 0.5
assign (resid 6 and name HN ) (resid 6 and name HB# ) 4 2.8 1.6
assign (resid 6 and name HA ) (resid 6 and name HB1 ) 2.5 0.7 0.5
assign (resid 6 and name HA ) (resid 6 and name HB2 ) 2.5 0.7 0.5
assign (resid 6 and name HA ) (resid 6 and name HD# ) 4 4.2 3
assign (resid 6 and name HB1 ) (resid 6 and name HD# ) 3.0 3.2 2.6
assign (resid 6 and name HB2 ) (resid 6 and name HD# ) 3.0 3.2 2.6
assign (resid 6 and name HB1 ) (resid 6 and name HE# ) 4 4.2 3
assign (resid 6 and name HN ) (resid 6 and name HD# ) 4 4.2 3
!Y6 inter              
assign (resid 6 and name HA ) (resid 7 and name HN ) 3.0 1.2 0.6
assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.0 2.2 1
assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 1
assign (resid 6 and name HE# ) (resid 7 and name HN ) 3.0 3.2 2.6
assign (resid 6 and name HA ) (resid 7 and name HB ) 4 2.2 2
assign (resid 6 and name HE# ) (resid 8 and name HB# ) 4 5.2 4
assign (resid 6 and name HD# ) (resid 8 and name HB# ) 4 5.2 4
!Y6 Long              
assign (resid 6 and name HA ) (resid 42 and name HN ) 3.0 1.2 0.6
assign (resid 6 and name HN ) (resid 74 and name HA# ) 3.0 1.2 0.6
assign (resid 6 and name HN ) (resid 74 and name HN ) 3.0 1.2 0.6
assign (resid 6 and name HB# ) (resid 42 and name HN ) 4 3.2 2
assign (resid 6 and name HA ) (resid 41 and name HA ) 3.0 1.2 0.6
assign (resid 6 and name HB1 ) (resid 41 and name HA ) 4 2.2 1
assign (resid 6 and name HB2 ) (resid 41 and name HA ) 4 2.2 1
assign (resid 6 and name HE# ) (resid 41 and name HA ) 4 4.6 3.4
assign (resid 6 and name HE# ) (resid 72 and name HA ) 4 4.6 3.4
assign (resid 6 and name HD# ) (resid 72 and name HA ) 4 4.6 3.4
assign (resid 6 and name HE# ) (resid 72 and name HB ) 4 4.6 3.4
assign (resid 6 and name HD# ) (resid 72 and name HB ) 4 4.6 3.4
assign (resid 6 and name HE# ) (resid 73 and name HA ) 4 4.6 3.4
assign (resid 6 and name HD# ) (resid 73 and name HA ) 4 4.6 3.4
assign (resid 6 and name HD# ) (resid 72 and name HG2# ) 4 5.6 4.9
assign (resid 6 and name HE# ) (resid 72 and name HG2# ) 4 5.6 4.9
assign (resid 6 and name HE# ) (resid 73 and name HD1# ) 4 5.6 5.9
assign (resid 6 and name HD# ) (resid 73 and name HD1# ) 4 5.6 5.9
assign (resid 6 and name HE# ) (resid 74 and name HA1 ) 4 4.6 3.4
assign (resid 6 and name HD# ) (resid 74 and name HA1 ) 4 4.6 3.4
assign (resid 6 and name HE# ) (resid 74 and name HA2 ) 4 4.6 3.4
assign (resid 6 and name HD# ) (resid 74 and name HA2 ) 4 4.6 3.4
               
!I7 intra              
assign (resid 7 and name HN ) (resid 7 and name HA ) 2.5 0.7 0.5
assign (resid 7 and name HN ) (resid 7 and name HB ) 4 2.2 0.1
assign (resid 7 and name HN ) (resid 7 and name HD1# ) 3.0 2.2 1.6
assign (resid 7 and name HN ) (resid 7 and name HG1# ) 3.0 2.2 1.6
assign (resid 7 and name HA ) (resid 7 and name HB ) 2.5 0.7 0.5
assign (resid 7 and name HA ) (resid 7 and name HG1# ) 3.0 2.2 1.6
assign (resid 7 and name HA ) (resid 7 and name HG2# ) 3.0 2.2 1.6
! I7 inter             
assign (resid 7 and name HA ) (resid 8 and name HN ) 2.5 0.7 0.5
assign (resid 7 and name HB ) (resid 8 and name HN ) 3.0 1.2 0.6
assign (resid 7 and name HD1# ) (resid 8 and name HN ) 4 3.2 2
assign (resid 7 and name HA ) (resid 8 and name HA ) 4.0 2.2 1
assign (resid 7 and name HD1# ) (resid 9 and name HE# ) 4 6.2 5
!I7 Long              
assign (resid 7 and name HN ) (resid 41 and name HA ) 3.0 1.2 0.6
assign (resid 7 and name HN ) (resid 40 and name HN ) 3.0 1.2 0.6
assign (resid 7 and name HG2# ) (resid 42 and name HN ) 4 3.2 2.5
assign (resid 7 and name HG2# ) (resid 42 and name HB# ) 4 3.2 3.5
assign (resid 7 and name HG1# ) (resid 42 and name HN ) 4 3.2 2.5
assign (resid 7 and name HG2# ) (resid 40 and name HN ) 4 3.2 2.5
assign (resid 7 and name HD1# ) (resid 40 and name HN ) 4 3.2 2.5
assign (resid 7 and name HA ) (resid 73 and name HN ) 3.0 1.2 0.6
assign (resid 7 and name HB ) (resid 73 and name HN ) 4 2.2 1
assign (resid 7 and name HA ) (resid 72 and name HA ) 4.0 2.2 1
assign (resid 7 and name HG1# ) (resid 74 and name HN ) 4 3.2 2.5
assign (resid 7 and name HG2# ) (resid 74 and name HN ) 4 3.2 2.5
assign (resid 7 and name HG2# ) (resid 75 and name HN ) 4 3.2 2.5
assign (resid 7 and name HG2# ) (resid 73 and name HA ) 4 3.2 2.5
assign (resid 7 and name HA ) (resid 72 and name HG2# ) 4 3.2 2.5
assign (resid 7 and name HA ) (resid 73 and name HG2# ) 4 3.2 2.5
               
!A8 intra              
assign (resid 8 and name HN ) (resid 8 and name HA ) 2.5 0.7 0.5
assign (resid 8 and name HN ) (resid 8 and name HB# ) 3.0 1.8 1.2
assign (resid 8 and name HA ) (resid 8 and name HB# ) 3.0 1.8 1.2
!A8 inter              
assign (resid 8 and name HA ) (resid 9 and name HN ) 2.5 0.7 0.5
assign (resid 8 and name HB# ) (resid 9 and name HN ) 4 3.2 2.5
assign (resid 8 and name HB# ) (resid 9 and name HD# ) 4 5.2 4
assign (resid 8 and name HB# ) (resid 9 and name HE# ) 4 5.2 4
assign (resid 8 and name HB# ) (resid 9 and name HB# ) 4.0 4.2 3
!A8               
assign (resid 8 and name HN ) (resid 72 and name HN ) 4 2.2 1.0
assign (resid 8 and name HN ) (resid 72 and name HA ) 3.0 1.2 0.6
assign (resid 8 and name HN ) (resid 72 and name HB ) 4 2.2 1
assign (resid 8 and name HN ) (resid 72 and name HG2# ) 4 3.2 2
assign (resid 8 and name HA ) (resid 39 and name HN ) 4.0 2.2 1
assign (resid 8 and name HA ) (resid 40 and name HN ) 3.0 1.2 0.6
assign (resid 8 and name HA ) (resid 39 and name HA ) 3.0 1.2 0.6
assign (resid 8 and name HB# ) (resid 40 and name HN ) 4 3.2 2.5
assign (resid 8 and name HB# ) (resid 39 and name HN ) 4 3.2 2.5
assign (resid 8 and name HB# ) (resid 38 and name HN ) 4 3.2 2.5
assign (resid 8 and name HA ) (resid 39 and name HB# ) 4 3.2 2
assign (resid 8 and name HB# ) (resid 39 and name HB# ) 4.0 3.2 3
assign (resid 8 and name HB# ) (resid 38 and name HA ) 4.0 3.2 2.5
assign (resid 8 and name HB# ) (resid 40 and name HA ) 4.0 3.2 2.5
assign (resid 8 and name HB# ) (resid 9 and name HB# ) 4.0 4.2 3.5
!F9 intra              
assign (resid 9 and name HN ) (resid 9 and name HA ) 2.5 0.7 0.5
assign (resid 9 and name HN ) (resid 9 and name HB1 ) 3.0 1.2 0.6
assign (resid 9 and name HN ) (resid 9 and name HB2 ) 3.0 1.2 0.6
assign (resid 9 and name HA ) (resid 9 and name HB1 ) 2.5 0.7 0.5
assign (resid 9 and name HA ) (resid 9 and name HB2 ) 2.5 0.7 0.5
assign (resid 9 and name HA ) (resid 9 and name HD# ) 4 4.6 3.4
assign (resid 9 and name HA ) (resid 9 and name HE# ) 4 4.6 3.4
assign (resid 9 and name HB1 ) (resid 9 and name HD# ) 3.0 3.6 3
assign (resid 9 and name HB1 ) (resid 9 and name HE# ) 4 4.6 3.4
assign (resid 9 and name HB2 ) (resid 9 and name HD# ) 3.0 3.6 3
assign (resid 9 and name HB2 ) (resid 9 and name HE# ) 4 4.6 3.4
!F9 inter              
assign (resid 9 and name HA ) (resid 10 and name HN ) 3.0 1.2 0.6
assign (resid 9 and name HB1 ) (resid 10 and name HN ) 4 2.2 1
assign (resid 9 and name HB2 ) (resid 10 and name HN ) 4 2.2 1
assign (resid 9 and name HE# ) (resid 10 and name HN ) 4 4.6 3.4
!F9               
assign (resid 9 and name HN ) (resid 38 and name HN ) 3.0 1.2 0.6
assign (resid 9 and name HN ) (resid 39 and name HA ) 3.0 1.2 0.6
assign (resid 9 and name HA ) (resid 71 and name HN ) 4.0 2.2 1.0
assign (resid 9 and name HA ) (resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HA ) (resid 70 and name HG# ) 4 3.2 2.5
assign (resid 9 and name HD# ) (resid 70 and name HA ) 4 4.2 3.4
assign (resid 9 and name HD# ) (resid 70 and name HN ) 4.0 2.2 3.4
assign (resid 9 and name HD# ) (resid 70 and name HG# ) 4 5.2 4.9
assign (resid 9 and name HE# ) (resid 70 and name HG# ) 4 5.2 4.9
assign (resid 9 and name HD# ) (resid 69 and name HB1 ) 4 4.2 3.4
assign (resid 9 and name HE# ) (resid 69 and name HB1 ) 4 4.2 3.4
assign (resid 9 and name HD# ) (resid 69 and name HB2 ) 4 4.2 3.4
assign (resid 9 and name HE# ) (resid 69 and name HB2 ) 4 4.2 3.4
               
!Q10 intra              
assign (resid 10 and name HN ) (resid 10 and name HA ) 2.5 0.7 0.5
assign (resid 10 and name HN ) (resid 10 and name HB# ) 3.0 1.8 1.2
assign (resid 10 and name HN ) (resid 10 and name HG# ) 4 2.8 1.6
assign (resid 10 and name HE21 ) (resid 10 and name HG1 ) 4.0 2.2 1.0
assign (resid 10 and name HE21 ) (resid 10 and name HG2 ) 4.0 2.2 1.0
assign (resid 10 and name HE22 ) (resid 10 and name HG1 ) 4.0 2.2 1.0
assign (resid 10 and name HE22 ) (resid 10 and name HG2 ) 4.0 2.2 1.0
!inter               
assign (resid 10 and name HA ) (resid 11 and name HN ) 2.5 0.7 0.5
!long               
assign (resid 10 and name HA ) (resid 38 and name HN ) 3.0 1.2 0.6
assign (resid 10 and name HA ) (resid 37 and name HA ) 3.0 1.2 0.6
assign (resid 10 and name HB# ) (resid 36 and name HB# ) 4.0 4.2 3.5
assign (resid 10 and name HB# ) (resid 38 and name HN ) 4 3.2 2
assign (resid 10 and name HN ) (resid 70 and name HA ) 4 2.2 1
assign (resid 10 and name HN ) (resid 70 and name HG# ) 4 4.2 3
assign (resid 10 and name HN ) (resid 71 and name HN ) 4.0 2.2 1
assign (resid 10 and name HA ) (resid 69 and name HB# ) 4 3.2 2
assign (resid 10 and name HE21 ) (resid 69 and name HA ) 4.0 2.2 1.0
assign (resid 10 and name HE22 ) (resid 69 and name HA ) 4.0 2.2 1.0
assign (resid 10 and name HE21 ) (resid 38 and name HG2# ) 4.0 3.2 2.5
assign (resid 10 and name HE21 ) (resid 38 and name HD1# ) 4.0 3.2 2.5
assign (resid 10 and name HE22 ) (resid 38 and name HG2# ) 4.0 3.2 2.5
assign (resid 10 and name HE22 ) (resid 38 and name HD1# ) 4.0 3.2 2.5
               
!D11 intra              
assign (resid 11 and name HN ) (resid 11 and name HA ) 2.5 0.7 0.5
!inter               
assign (resid 11 and name HN ) (resid 12 and name HN ) 4.0 2.2 1
assign (resid 11 and name HA ) (resid 12 and name HN ) 3.0 1.2 0.6
!Long               
assign (resid 11 and name HN ) (resid 37 and name HA ) 4 2.2 1
               
!N12 intra              
assign (resid 12 and name HN ) (resid 12 and name HA ) 2.5 0.7 0.5
assign (resid 12 and name HN ) (resid 12 and name HB1) 2.5 0.7 0.5 
assign (resid 12 and name HN ) (resid 12 and name HB2) 2.5 0.7 0.5 
!inter               
assign (resid 12 and name HA ) (resid 13 and name HN ) 4 2.2 1
assign (resid 12 and name HN ) (resid 13 and name HN ) 3.0 1.2 0.6
assign (resid 12 and name HB# ) (resid 14 and name HN ) 4 3.2 2
assign (resid 12 and name HA ) (resid 14 and name HN ) 4 2.2 1
               
!D13 intra              
assign (resid 13 and name HN ) (resid 13 and name HA ) 4 2.2 1
assign (resid 13 and name HN ) (resid 13 and name HB# ) 4 2.8 1.6
!inter               
assign (resid 13 and name HA ) (resid 14 and name HN ) 4 2.2 1
assign (resid 13 and name HA ) (resid 16 and name HN ) 4.0 2.2 1
assign (resid 13 and name HN ) (resid 15 and name HN ) 4.0 2.2 1
               
!N14 intra              
assign (resid 14 and name HN ) (resid 14 and name HA ) 2.5 0.7 0.5
assign (resid 14 and name HN ) (resid 14 and name HB# ) 3.0 1.8 1.2
assign (resid 14 and name HA ) (resid 14 and name HB# ) 2.5 0.7 0.5
!inter               
assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.5
assign (resid 14 and name HA ) (resid 15 and name HN ) 3.0 1.2 0.6
assign (resid 14 and name HB# ) (resid 15 and name HN ) 4 3.2 2
               
assign (resid 14 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.9
assign (resid 14 and name HA ) (resid 16 and name HN ) 4 2.2 1
assign (resid 14 and name HA ) (resid 16 and name HG# ) 4 3.2 2
assign (resid 14 and name HA ) (resid 17 and name HD# ) 4 4.2 3
assign (resid 14 and name HA ) (resid 17 and name HB# ) 4 3.2 2
assign (resid 14 and name HB# ) (resid 16 and name HN ) 4.0 3.2 2
assign (resid 14 and name HB# ) (resid 17 and name HD# ) 4 5.6 4.4
assign (resid 14 and name HA ) (resid 17 and name HE# ) 4 4.2 3
               
!A15 intra              
assign (resid 15 and name HN ) (resid 15 and name HA ) 2.5 0.7 0.5
assign (resid 15 and name HN ) (resid 15 and name HB# ) 3.0 1.8 1.2
assign (resid 15 and name HA ) (resid 15 and name HB# ) 3.0 1.8 1.2
!inter               
assign (resid 15 and name HN ) (resid 16 and name HN ) 2.5 0.7 0.5
assign (resid 15 and name HA ) (resid 16 and name HN ) 3.0 1.2 0.6
assign (resid 15 and name HB# ) (resid 16 and name HN ) 3.0 2.2 1.6
               
assign (resid 15 and name HN ) (resid 17 and name HN ) 4.0 2.2 1
assign (resid 15 and name HB# ) (resid 17 and name HN ) 4 3.2 2.5
assign (resid 15 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.6
assign (resid 15 and name HA ) (resid 18 and name HB ) 4 2.2 1
assign (resid 15 and name HA ) (resid 18 and name HG# ) 4 4.6 3.9
assign (resid 15 and name HA ) (resid 16 and name HB# ) 4.0 3.2 2
assign (resid 15 and name HB# ) (resid 18 and name HN ) 4 3.2 2.5
assign (resid 15 and name HA ) (resid 14 and name HN ) 4 2.2 1
               
!R16               
assign (resid 16 and name HN ) (resid 16 and name HA ) 2.5 0.7 0.5
assign (resid 16 and name HN ) (resid 16 and name HB# ) 3.0 1.8 1.2
assign (resid 16 and name HN ) (resid 16 and name HG# ) 4 2.8 0.7
assign (resid 16 and name HA ) (resid 16 and name HB# ) 2.5 1.3 1.1
assign (resid 16 and name HA ) (resid 16 and name HG# ) 2.5 1.3 1.1
               
assign (resid 16 and name HN ) (resid 17 and name HN ) 2.5 0.7 0.5
assign (resid 16 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.6
assign (resid 16 and name HA ) (resid 18 and name HB ) 4 2.2 1
assign (resid 16 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.6
assign (resid 16 and name HB# ) (resid 19 and name HN ) 4.0 3.2 2
assign (resid 16 and name HB# ) (resid 17 and name HN ) 3.0 2.2 1.6
assign (resid 16 and name HG# ) (resid 17 and name HN ) 4 3.2 2
assign (resid 16 and name HB# ) (resid 18 and name HN ) 4 3.2 2
assign (resid 16 and name HN ) (resid 16 and name HD# ) 4 3.2 2
assign (resid 16 and name HA ) (resid 20 and name HB# ) 4.0 3.2 2
!Y17 intra              
assign (resid 17 and name HN ) (resid 17 and name HA ) 2.5 0.7 0.5
assign (resid 17 and name HN ) (resid 17 and name HB1 ) 3.0 1.2 0.6
assign (resid 17 and name HN ) (resid 17 and name HB2 ) 3.0 1.2 0.6
assign (resid 17 and name HA ) (resid 17 and name HB1 ) 2.5 0.7 0.5
assign (resid 17 and name HA ) (resid 17 and name HB2 ) 2.5 0.7 0.5
assign (resid 17 and name HA ) (resid 17 and name HD# ) 4 4.2 3
assign (resid 17 and name HA ) (resid 17 and name HE# ) 4 4.2 3
assign (resid 17 and name HB1 ) (resid 17 and name HD# ) 3.0 3.2 2.1
assign (resid 17 and name HB2 ) (resid 17 and name HE# ) 3.0 3.2 2.1
!inter               
assign (resid 17 and name HN ) (resid 19 and name HN ) 4 2.2 1
assign (resid 17 and name HN ) (resid 20 and name HN ) 4 2.2 1
assign (resid 17 and name HA ) (resid 20 and name HN ) 3.0 1.2 0.6
assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.5
assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.6
assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.0 1.2 0.6
assign (resid 17 and name HB2 ) (resid 18 and name HN ) 3.0 1.2 0.6
assign (resid 17 and name HD# ) (resid 18 and name HG# ) 4 6.6 5
assign (resid 17 and name HD# ) (resid 20 and name HA ) 4 4.2 3
assign (resid 17 and name HA ) (resid 20 and name HB1 ) 4 2.2 1
assign (resid 17 and name HA ) (resid 20 and name HB2 ) 4 2.2 1
               
!V18               
assign (resid 18 and name HN ) (resid 18 and name HA ) 2.5 0.7 0.5
assign (resid 18 and name HN ) (resid 18 and name HB ) 2.5 0.7 0.5
assign (resid 18 and name HN ) (resid 18 and name HG# ) 4 3.9 2.6
assign (resid 18 and name HA ) (resid 18 and name HB ) 3.0 1.2 0.6
assign (resid 18 and name HA ) (resid 18 and name HG# ) 4 3.9 2.6
!inter               
assign (resid 18 and name HN ) (resid 16 and name HN ) 4 2.2 1
assign (resid 18 and name HN ) (resid 19 and name HN ) 2.5 0.7 0.5
assign (resid 18 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.6
assign (resid 18 and name HA ) (resid 21 and name HN ) 3.0 1.2 0.6
assign (resid 18 and name HA ) (resid 21 and name HB# ) 4 3.2 2.5
assign (resid 18 and name HG# ) (resid 21 and name HN ) 4 4.6 3.5
assign (resid 18 and name HB ) (resid 19 and name HN ) 3.0 1.2 0.9
assign (resid 18 and name HG# ) (resid 16 and name HN ) 4.0 4.6 3.4
assign (resid 18 and name HG# ) (resid 19 and name HN ) 4 4.6 3.4
assign (resid 18 and name HG# ) (resid 17 and name HN ) 4.0 4.6 3.4
assign (resid 18 and name HG# ) (resid 15 and name HN ) 4.0 4.6 3.4
assign (resid 18 and name HG# ) (resid 20 and name HN ) 4 4.6 3.5
assign (resid 18 and name HG# ) (resid 21 and name HN ) 4 4.6 3.5
assign (resid 18 and name HG# ) (resid 22 and name HN ) 4.0 4.6 3
               
!V19               
assign (resid 19 and name HN ) (resid 19 and name HA ) 2.5 0.7 0.5
assign (resid 19 and name HN ) (resid 19 and name HB ) 2.5 0.7 0.5
assign (resid 19 and name HN ) (resid 19 and name HG# ) 4 3.9 2.6
               
assign (resid 19 and name HN ) (resid 20 and name HN ) 2.5 0.7 0.5
assign (resid 19 and name HA ) (resid 20 and name HN ) 3.0 1.2 0.6
assign (resid 19 and name HN ) (resid 21 and name HN ) 4.0 2.2 1
assign (resid 19 and name HA ) (resid 20 and name HB# ) 4 3.2 2
assign (resid 19 and name HB ) (resid 20 and name HN ) 2.5 0.7 0.5
assign (resid 19 and name HG# ) (resid 20 and name HN ) 4 4.6 3
assign (resid 19 and name HG# ) (resid 22 and name HN ) 4 4.6 3
assign (resid 19 and name HG# ) (resid 18 and name HN ) 4 4.6 3
assign (resid 19 and name HA ) (resid 22 and name HN ) 3.0 1.2 0.6
assign (resid 19 and name HA ) (resid 22 and name HD1# ) 4 3.2 2
               
!E20               
assign (resid 20 and name HN ) (resid 20 and name HA ) 2.5 0.7 0.5
assign (resid 20 and name HN ) (resid 20 and name HB# ) 2.5 0.7 0.5
assign (resid 20 and name HA ) (resid 20 and name HB# ) 3.0 2.2 1.6
               
assign (resid 20 and name HN ) (resid 21 and name HN ) 2.5 0.7 0.5
assign (resid 20 and name HA ) (resid 21 and name HN ) 3.0 1.2 0.6
assign (resid 20 and name HA ) (resid 23 and name HN ) 3.0 1.2 0.6
assign (resid 20 and name HA ) (resid 23 and name HB# ) 4 3.2 2
assign (resid 20 and name HB# ) (resid 21 and name HN ) 3.0 2.2 1.6
               
!A21               
assign (resid 21 and name HN ) (resid 21 and name HA ) 2.5 0.7 0.5
assign (resid 21 and name HN ) (resid 21 and name HB# ) 3.0 1.8 1.2
assign (resid 21 and name HA ) (resid 21 and name HB# ) 2.5 1.3 1.1
!inter               
assign (resid 21 and name HN ) (resid 22 and name HN ) 2.5 0.7 0.5
assign (resid 21 and name HN ) (resid 23 and name HN ) 4 2.2 1
assign (resid 21 and name HA ) (resid 23 and name HN ) 4 2.2 1
assign (resid 21 and name HA ) (resid 22 and name HN ) 3.0 1.2 0.6
assign (resid 21 and name HA ) (resid 24 and name HN ) 3.0 1.2 0.6
assign (resid 21 and name HA ) (resid 24 and name HB# ) 4 3.2 2
assign (resid 21 and name HA ) (resid 24 and name HG# ) 4 3.2 2
assign (resid 21 and name HB# ) (resid 22 and name HN ) 3.0 2.2 2.1
assign (resid 21 and name HB# ) (resid 20 and name HN ) 4 3.2 2.5

!I22               
assign (resid 22 and name HN ) (resid 22 and name HA ) 2.5 0.7 0.5
assign (resid 22 and name HN ) (resid 22 and name HB ) 2.5 0.7 0.5
assign (resid 22 and name HN ) (resid 22 and name HG2# ) 4 2.8 1.6
assign (resid 22 and name HN ) (resid 22 and name HG1# ) 4 2.8 1.6
               
assign (resid 22 and name HN ) (resid 23 and name HN ) 2.5 0.7 0.5
assign (resid 22 and name HA ) (resid 23 and name HN ) 3.0 1.2 0.6
assign (resid 22 and name HB ) (resid 23 and name HN ) 2.5 0.7 0.5
!I23               
assign (resid 23 and name HN ) (resid 23 and name HA ) 2.5 0.7 0.5
assign (resid 23 and name HN ) (resid 23 and name HB ) 3.0 1.2 0.6
assign (resid 23 and name HN ) (resid 23 and name HG2#) 4.0 2.8 1.6 
assign (resid 23 and name HN ) (resid 23 and name HG1# ) 4 3.2 2
               
assign (resid 23 and name HN ) (resid 24 and name HN ) 2.5 0.7 0.5
assign (resid 23 and name HA ) (resid 24 and name HN ) 3.0 1.2 0.6
assign (resid 23 and name HB ) (resid 24 and name HN ) 3.0 1.2 0.6
assign (resid 23 and name HG2# ) (resid 26 and name HN ) 4.0 3.2 2.5
assign (resid 23 and name HG1# ) (resid 25 and name HN ) 4 3.2 2
assign (resid 23 and name HA ) (resid 26 and name HN ) 3.0 1.2 0.6
               
!Q24               
assign (resid 24 and name HN ) (resid 24 and name HA ) 2.5 0.7 0.5
assign (resid 24 and name HN ) (resid 24 and name HB# ) 3.0 1.8 1.2
assign (resid 24 and name HN ) (resid 24 and name HG# ) 3.0 1.8 1.2
assign (resid 24 and name HA ) (resid 24 and name HB# ) 2.5 0.7 0.5
assign (resid 24 and name HA ) (resid 24 and name HG# ) 3.0 1.8 1.2
!inter               
assign (resid 24 and name HN ) (resid 25 and name HN ) 2.5 0.7 0.5
assign (resid 24 and name HA ) (resid 25 and name HN ) 3.0 1.2 0.6
assign (resid 24 and name HB# ) (resid 25 and name HN ) 3.0 2.2 1.6
assign (resid 24 and name HB# ) (resid 25 and name HB# ) 3.0 3.2 2.6
assign (resid 24 and name HG# ) (resid 25 and name HN ) 4 3.2 2
assign (resid 24 and name HA ) (resid 26 and name HN ) 4 2.2 1
assign (resid 24 and name HA ) (resid 28 and name HN ) 4 2.2 1
               
!D25               
assign (resid 25 and name HN ) (resid 25 and name HA ) 2.5 0.7 0.5
assign (resid 25 and name HN ) (resid 25 and name HB1 ) 3.0 1.2 0.6
assign (resid 25 and name HN ) (resid 25 and name HB2 ) 3.0 1.2 0.6
assign (resid 25 and name HA ) (resid 25 and name HB1 ) 2.5 0.7 0.5
assign (resid 25 and name HA ) (resid 25 and name HB2 ) 2.5 0.7 0.5
               
assign (resid 25 and name HN ) (resid 26 and name HN ) 2.5 0.7 0.5
assign (resid 25 and name HN ) (resid 26 and name HD21 ) 4.0 2.2 1
assign (resid 25 and name HN ) (resid 26 and name HD22 ) 4.0 2.2 1
assign (resid 25 and name HA ) (resid 26 and name HN ) 3.0 1.2 0.6
assign (resid 25 and name HB1 ) (resid 26 and name HN ) 3.0 1.2 0.6
assign (resid 25 and name HB2 ) (resid 26 and name HN ) 3.0 1.2 0.6
               
!N26               
assign (resid 26 and name HN ) (resid 26 and name HA ) 2.5 0.7 0.5
assign (resid 26 and name HN ) (resid 26 and name HB1 ) 3.0 1.2 0.6
assign (resid 26 and name HN ) (resid 26 and name HB2 ) 3.0 1.2 0.6
!inter               
assign (resid 26 and name HA ) (resid 28 and name HN ) 4 2.2 1
assign (resid 26 and name HB1 ) (resid 28 and name HN ) 4 2.2 2
assign (resid 26 and name HB2 ) (resid 28 and name HN ) 4 2.2 1
assign (resid 26 and name HA ) (resid 29 and name HN ) 4 2.2 1
assign (resid 26 and name HA ) (resid 29 and name HB# ) 4 3.2 2.5
assign (resid 26 and name HB1 ) (resid 29 and name HN ) 4 2.2 1
assign (resid 26 and name HB2 ) (resid 29 and name HN ) 4 2.2 1
assign (resid 26 and name HD21 ) (resid 22 and name HA ) 4.0 2.2 1
assign (resid 26 and name HD22 ) (resid 22 and name HA ) 4.0 2.2 1
assign (resid 26 and name HD2# ) (resid 26 and name HN ) 4.0 3.2 2
assign (resid 26 and name HD21 ) (resid 26 and name HB# ) 3.0 1.8 1.2
assign (resid 26 and name HD22 ) (resid 26 and name HB# ) 3.0 1.8 1.2
assign (resid 26 and name HA ) (resid 27 and name HA ) 4 2.2 1
assign (resid 26 and name HB# ) (resid 29 and name HB# ) 4 4.2 3.5
assign (resid 26 and name HD2# ) (resid 29 and name HB# ) 4 4.2 3
               
!P27               
assign (resid 27 and name HA ) (resid 27 and name HB# ) 4 3.2 2
assign (resid 27 and name HA ) (resid 27 and name HG# ) 4 3.2 2
assign (resid 27 and name HA ) (resid 28 and name HN ) 4 2.2 2
               
!H28               
assign (resid 28 and name HN ) (resid 28 and name HA ) 2.5 0.7 0.5
assign (resid 28 and name HN ) (resid 28 and name HB1 ) 2.5 0.7 0.5
assign (resid 28 and name HN ) (resid 28 and name HB2 ) 2.5 0.7 0.5
               
assign (resid 28 and name HN ) (resid 29 and name HN ) 2.5 0.7 0.5
assign (resid 28 and name HA ) (resid 29 and name HN ) 3.0 1.2 0.6
assign (resid 28 and name HB1 ) (resid 29 and name HN ) 3.0 1.2 0.6
assign (resid 28 and name HB2 ) (resid 29 and name HN ) 3.0 1.2 0.6               
!A29               
assign (resid 29 and name HN ) (resid 29 and name HA ) 2.5 0.7 0.5
assign (resid 29 and name HN ) (resid 29 and name HB# ) 3.0 1.8 1.2
assign (resid 29 and name HA ) (resid 29 and name HB# ) 3.0 1.8 1.2
               
assign (resid 29 and name HA ) (resid 30 and name HN ) 3.0 1.2 0.6
assign (resid 29 and name HB# ) (resid 30 and name HN ) 3.0 2.2 1.6
assign (resid 29 and name HB# ) (resid 28 and name HN ) 4 3.2 2.5
assign (resid 29 and name HB# ) (resid 26 and name HN ) 4 3.2 2.5
               
!V30               
assign (resid 30 and name HN ) (resid 30 and name HA ) 2.5 0.7 0.5
assign (resid 30 and name HN ) (resid 30 and name HB ) 2.5 0.7 0.5
assign (resid 30 and name HN ) (resid 30 and name HG# ) 4 3.9 2.2
assign (resid 30 and name HA ) (resid 30 and name HB ) 2.5 0.7 0.5
assign (resid 30 and name HA ) (resid 30 and name HG# ) 3.0 1.8 1.7
               
assign (resid 30 and name HN ) (resid 31 and name HN ) 4.0 2.2 1
assign (resid 30 and name HA ) (resid 31 and name HN ) 3.0 1.2 0.6
assign (resid 30 and name HB ) (resid 31 and name HN ) 4 2.2 1
assign (resid 30 and name HG# ) (resid 31 and name HN ) 4 4.2 3.5
               
!V31               
assign (resid 31 and name HN ) (resid 31 and name HA ) 2.5 0.7 0.5
assign (resid 31 and name HN ) (resid 31 and name HB ) 3.0 1.2 0.6
assign (resid 31 and name HN ) (resid 31 and name HG1# ) 4 3.2 2.5
assign (resid 31 and name HN ) (resid 31 and name HG2# ) 4 3.2 2.5
               
assign (resid 31 and name HN ) (resid 32 and name HN ) 4.0 2.2 1
assign (resid 31 and name HA ) (resid 32 and name HN ) 3.0 1.2 0.6
assign (resid 31 and name HB ) (resid 32 and name HN ) 3.0 1.2 0.6
assign (resid 31 and name HG1# ) (resid 32 and name HN ) 4 3.2 2.5
assign (resid 31 and name HG2# ) (resid 32 and name HN ) 4 3.2 2.5
               
!Q32               
assign (resid 32 and name HN ) (resid 32 and name HA ) 2.5 0.7 0.5
assign (resid 32 and name HN ) (resid 32 and name HB# ) 3.0 1.8 1.2
assign (resid 32 and name HN ) (resid 32 and name HG# ) 4 2.8 1.6
               
assign (resid 32 and name HA ) (resid 33 and name HN ) 3.0 1.2 0.6
               
!H33               
assign (resid 33 and name HN ) (resid 33 and name HA ) 2.5 0.7 0.5
assign (resid 33 and name HN ) (resid 33 and name HB1 ) 3.0 1.2 0.6
assign (resid 33 and name HN ) (resid 33 and name HB2 ) 3.0 1.2 0.6
               
assign (resid 33 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 33 and name HB# ) (resid 34 and name HB# ) 4 4.2 3
               
!H34               
assign (resid 34 and name HN ) (resid 34 and name HA ) 2.5 0.7 0.5
assign (resid 34 and name HN ) (resid 34 and name HB1 ) 3.0 1.2 0.6
assign (resid 34 and name HN ) (resid 34 and name HB2 ) 3.0 1.2 0.6
assign (resid 34 and name HA ) (resid 34 and name HB1 ) 2.5 0.7 0.5
assign (resid 34 and name HA ) (resid 34 and name HB2 ) 2.5 0.7 0.5
               
!P35               
assign (resid 35 and name HA ) (resid 35 and name HB# ) 4 3.2 2
assign (resid 35 and name HA ) (resid 35 and name HG# ) 4 3.2 2
assign (resid 35 and name HA ) (resid 36 and name HN ) 4 2.2 1
               
!A36               
assign (resid 36 and name HN ) (resid 36 and name HA ) 2.5 0.7 0.5
assign (resid 36 and name HN ) (resid 36 and name HB# ) 2.5 1.3 1.1
!inter               
assign (resid 36 and name HA ) (resid 37 and name HN ) 3.0 1.2 0.6
assign (resid 36 and name HB# ) (resid 37 and name HN ) 3.0 2.2 2.1
!M37               
assign (resid 37 and name HN ) (resid 37 and name HA ) 2.5 0.7 0.5
assign (resid 37 and name HA ) (resid 38 and name HN ) 2.5 0.7 0.5
assign (resid 37 and name HB# ) (resid 38 and name HN ) 3.0 2.2 1.6
assign (resid 37 and name HA ) (resid 10 and name HA ) 4 2.2 1
assign (resid 37 and name HA ) (resid 10 and name HB# ) 4 3.2 2
assign (resid 37 and name HN ) (resid 34 and name HN ) 4.0 2.2 1
               
!I38               
assign (resid 38 and name HN ) (resid 38 and name HA ) 2.5 0.7 0.5
assign (resid 38 and name HN ) (resid 38 and name HG1# ) 4 2.8 1.6
assign (resid 38 and name HA ) (resid 39 and name HN ) 3.0 1.2 0.6
assign (resid 38 and name HG1# ) (resid 39 and name HN ) 4 3.2 2
assign (resid 38 and name HA ) (resid 34 and name HN ) 4.0 2.2 1
assign (resid 38 and name HG1# ) (resid 9 and name HN ) 4 3.2 2
assign (resid 38 and name HB ) (resid 9 and name HN ) 4 2.2 1
               
!R39               
assign (resid 39 and name HN ) (resid 39 and name HA ) 2.5 0.7 0.5
assign (resid 39 and name HN ) (resid 39 and name HB# ) 4 2.8 1.6
assign (resid 39 and name HA ) (resid 40 and name HN ) 2.5 0.7 0.5
assign (resid 39 and name HA ) (resid 8 and name HB# ) 4 3.2 2.5
assign (resid 39 and name HN ) (resid 32 and name HN ) 4.0 2.2 1
               
!I40               
assign (resid 40 and name HN ) (resid 40 and name HA ) 2.5 0.7 0.5
assign (resid 40 and name HN ) (resid 40 and name HB ) 2.5 0.7 0.5
assign (resid 40 and name HA ) (resid 41 and name HN ) 2.5 0.7 0.5
assign (resid 40 and name HN ) (resid 41 and name HN ) 4.0 2.2 1
assign (resid 40 and name HA ) (resid 6 and name HD# ) 4 4.6 3.4
assign (resid 40 and name HA ) (resid 6 and name HE# ) 4 4.6 3.4
assign (resid 40 and name HN ) (resid 6 and name HD# ) 4 4.6 3.4
assign (resid 40 and name HA ) (resid 32 and name HN ) 4.0 2.2 1
assign (resid 40 and name HB ) (resid 7 and name HN ) 4 2.2 1
assign (resid 40 and name HB ) (resid 7 and name HN ) 4 2.2 1
assign (resid 40 and name HG2# ) (resid 7 and name HN ) 4 3.2 2.5
               
!E41               
assign (resid 41 and name HN ) (resid 41 and name HA ) 2.5 0.7 0.5
assign (resid 41 and name HN ) (resid 41 and name HB1 ) 3.0 1.2 0.6
assign (resid 41 and name HN ) (resid 41 and name HB2 ) 3.0 1.2 0.6
assign (resid 41 and name HA ) (resid 41 and name HB# ) 2.5 1.3 1.1
assign (resid 41 and name HA ) (resid 41 and name HG# ) 3.0 1.8 1.2
               
assign (resid 41 and name HA ) (resid 42 and name HN ) 2.5 0.7 0.5
assign (resid 41 and name HA ) (resid 42 and name HB# ) 3.0 3.2 2.1
assign (resid 41 and name HN ) (resid 31 and name HA ) 4.0 2.2 1
assign (resid 41 and name HN ) (resid 30 and name HN ) 4.0 2.2 1

!A42               
assign (resid 42 and name HN ) (resid 42 and name HA ) 2.5 0.7 0.5
assign (resid 42 and name HN ) (resid 42 and name HB# ) 3.0 1.8 1.2
assign (resid 42 and name HA ) (resid 42 and name HB# ) 3.0 1.8 1.2
               
assign (resid 42 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.5
assign (resid 42 and name HB# ) (resid 43 and name HN ) 3.0 2.2 2.1
assign (resid 42 and name HB# ) (resid 44 and name HN ) 4 3.2 2.5
assign (resid 42 and name HA ) (resid 30 and name HN ) 4.0 2.2 1
               
!E43               
assign (resid 43 and name HN ) (resid 43 and name HA ) 2.5 0.7 0.5
assign (resid 43 and name HN ) (resid 43 and name HB# ) 3.0 1.8 1.2
assign (resid 43 and name HN ) (resid 43 and name HG# ) 3.0 1.8 1.2
assign (resid 43 and name HA ) (resid 43 and name HB# ) 2.5 1.3 1.1
assign (resid 43 and name HA ) (resid 43 and name HG# ) 3.0 1.8 1.2
               
assign (resid 43 and name HA ) (resid 44 and name HN ) 2.5 0.7 0.5
assign (resid 43 and name HB# ) (resid 44 and name HN ) 4 3.2 2
assign (resid 43 and name HB# ) (resid 44 and name HA ) 4 3.2 2
assign (resid 43 and name HG# ) (resid 44 and name HN ) 4 3.2 2
               
!K44               
assign (resid 44 and name HN ) (resid 44 and name HA ) 2.5 0.7 0.5
assign (resid 44 and name HN ) (resid 44 and name HB# ) 3.0 1.8 1.2
assign (resid 44 and name HN ) (resid 44 and name HG# ) 4 2.8 1.6
assign (resid 44 and name HA ) (resid 44 and name HB# ) 2.5 1.3 1.1
assign (resid 44 and name HA ) (resid 44 and name HG# ) 3.0 1.8 1.2
               
assign (resid 44 and name HA ) (resid 45 and name HN ) 2.5 0.7 0.5
assign (resid 44 and name HN ) (resid 45 and name HN ) 4.0 2.2 1
assign (resid 44 and name HB# ) (resid 45 and name HN ) 2.5 0.7 0.5
assign (resid 44 and name HG# ) (resid 45 and name HN ) 4 3.2 1.1
assign (resid 44 and name HA ) (resid 88 and name HN ) 4.0 2.2 1
assign (resid 44 and name HB# ) (resid 88 and name HB# ) 4 4.2 3
               
!R45               
assign (resid 45 and name HN ) (resid 45 and name HA ) 2.5 0.7 0.5
assign (resid 45 and name HN ) (resid 45 and name HB# ) 3.0 1.8 1.2
assign (resid 45 and name HN ) (resid 45 and name HG# ) 3.0 2.2 1.6
assign (resid 45 and name HN ) (resid 45 and name HD# ) 4.0 3.2 2
assign (resid 45 and name HA ) (resid 45 and name HB# ) 2.5 1.3 1.1
assign (resid 45 and name HA ) (resid 45 and name HG# ) 2.5 1.3 1.1
               
assign (resid 45 and name HN ) (resid 46 and name HG# ) 4 3.2 2
assign (resid 45 and name HA ) (resid 46 and name HN ) 2.5 0.7 0.5
assign (resid 45 and name HN ) (resid 46 and name HN ) 4.0 2.2 1
assign (resid 45 and name HB# ) (resid 46 and name HN ) 3.0 2.2 1.6
assign (resid 45 and name HA ) (resid 87 and name HA ) 3.0 1.2 0.6
assign (resid 45 and name HA ) (resid 87 and name HG# ) 4 3.2 2
assign (resid 45 and name HA ) (resid 88 and name HB# ) 4 3.2 2
assign (resid 45 and name HB# ) (resid 88 and name HB# ) 4 4.2 3
assign (resid 45 and name HG# ) (resid 88 and name HB# ) 4 4.2 3
assign (resid 45 and name HG# ) (resid 88 and name HA ) 4 3.2 2
               
!L46               
assign (resid 46 and name HN ) (resid 46 and name HA ) 2.5 0.7 0.5
assign (resid 46 and name HN ) (resid 46 and name HB# ) 3.0 1.8 1.2
assign (resid 46 and name HN ) (resid 46 and name HD# ) 4.0 3.2 2.0
assign (resid 46 and name HA ) (resid 46 and name HB# ) 2.5 1.3 1.1
assign (resid 46 and name HA ) (resid 46 and name HD# ) 3.0 1.8 1.2
               
assign (resid 46 and name HA ) (resid 47 and name HN ) 2.5 0.7 0.5
assign (resid 46 and name HN ) (resid 47 and name HN ) 4.0 2.2 1
assign (resid 46 and name HB# ) (resid 47 and name HN ) 3.0 2.2 1.6
assign (resid 46 and name HD# ) (resid 47 and name HN ) 4 3.2 2.5
assign (resid 46 and name HA ) (resid 87 and name HG# ) 4 3.2 2
assign (resid 46 and name HB# ) (resid 87 and name HN ) 4 3.2 2
assign (resid 46 and name HD1# ) (resid 87 and name HN ) 4 3.2 2.5
assign (resid 46 and name HD2# ) (resid 87 and name HN ) 4 3.2 2.5
assign (resid 46 and name HG ) (resid 87 and name HN ) 4 2.2 1
assign (resid 46 and name HD1# ) (resid 88 and name HN ) 4 3.2 2.5
assign (resid 46 and name HD2# ) (resid 88 and name HN ) 4 3.2 2.5
assign (resid 46 and name HA ) (resid 86 and name HD# ) 4 4.6 3.9
assign (resid 46 and name HB# ) (resid 86 and name HA ) 4 3.2 2
assign (resid 46 and name HD# ) (resid 86 and name HA ) 4 4.6 3.9
assign (resid 46 and name HN ) (resid 86 and name HN ) 4.0 2.2 1.0
               
!E47               
assign (resid 47 and name HN ) (resid 47 and name HA ) 2.5 0.7 0.5
assign (resid 47 and name HN ) (resid 47 and name HB# ) 3.0 1.8 1.2
assign (resid 47 and name HN ) (resid 47 and name HG# ) 4 2.8 1.6
assign (resid 47 and name HA ) (resid 47 and name HB# ) 2.5 1.3 1.1
assign (resid 47 and name HA ) (resid 47 and name HG# ) 3.0 1.8 1.2
               
assign (resid 47 and name HA ) (resid 48 and name HN ) 2.5 0.7 0.5
assign (resid 47 and name HN ) (resid 48 and name HN ) 4.0 2.2 1
assign (resid 47 and name HA ) (resid 86 and name HN ) 3.0 1.2 0.6
assign (resid 47 and name HB# ) (resid 48 and name HN ) 3.0 2.2 1.6
assign (resid 47 and name HG# ) (resid 48 and name HN ) 4 3.2 2
assign (resid 47 and name HA ) (resid 85 and name HB ) 4 2.2 1
assign (resid 47 and name HA ) (resid 85 and name HG# ) 4 4.6 3.4
               
!I48               
assign (resid 48 and name HN ) (resid 48 and name HA ) 2.5 0.7 0.5
assign (resid 48 and name HN ) (resid 48 and name HB ) 3.0 1.2 0.6
assign (resid 48 and name HN ) (resid 48 and name HG2# ) 4 3.2 2
               
assign (resid 48 and name HA ) (resid 49 and name HN ) 3.0 1.2 0.6
assign (resid 48 and name HB ) (resid 49 and name HN ) 3.0 1.2 0.6
assign (resid 48 and name HG2# ) (resid 49 and name HN ) 4 3.2 2.5
assign (resid 48 and name HG1# ) (resid 49 and name HN ) 4 3.2 2
assign (resid 48 and name HD1# ) (resid 49 and name HN ) 4 3.2 2.5
assign (resid 48 and name HN ) (resid 84 and name HN ) 4.0 2.2 1.0
assign (resid 48 and name HB ) (resid 84 and name HN ) 4 2.2 1
assign (resid 48 and name HG2# ) (resid 84 and name HN ) 4 3.2 2.5
assign (resid 48 and name HD1# ) (resid 84 and name HN ) 4 3.2 2.5
               
!R49               
assign (resid 49 and name HN ) (resid 49 and name HA ) 2.5 0.7 0.5
assign (resid 49 and name HN ) (resid 49 and name HB# ) 3.0 1.8 1.2
assign (resid 49 and name HN ) (resid 49 and name HG# ) 4 2.8 1.6
assign (resid 49 and name HA ) (resid 50 and name HN ) 3.0 1.2 0.6
assign (resid 49 and name HG# ) (resid 50 and name HN ) 3.0 2.2 1.6
assign (resid 49 and name HA ) (resid 84 and name HN ) 3.0 1.2 0.6
assign (resid 49 and name HA ) (resid 52 and name HN ) 4.0 2.2 1
assign (resid 49 and name HB# ) (resid 52 and name HN ) 4.0 3.2 2
assign (resid 49 and name HG# ) (resid 52 and name HN ) 4.0 3.2 2
assign (resid 49 and name HA ) (resid 83 and name HB1 ) 4 2.2 1
assign (resid 49 and name HA ) (resid 83 and name HB2 ) 4 2.2 1
               
!R50               
assign (resid 50 and name HN ) (resid 50 and name HA ) 2.5 0.7 0.5
assign (resid 50 and name HN ) (resid 50 and name HB# ) 3.0 1.8 1.3
               
assign (resid 50 and name HN ) (resid 51 and name HN ) 3.0 1.2 0.6
assign (resid 50 and name HA ) (resid 51 and name HN ) 3.0 1.2 0.6
assign (resid 50 and name HB# ) (resid 51 and name HN ) 3.0 2.2 1.6
assign (resid 50 and name HG# ) (resid 51 and name HN ) 4.0 3.2 2
assign (resid 50 and name HB# ) (resid 52 and name HN ) 4.0 3.2 2
assign (resid 50 and name HN ) (resid 52 and name HN ) 4.0 2.2 1
assign (resid 50 and name HG# ) (resid 53 and name HN ) 4 3.2 2
              
!E51               
assign (resid 51 and name HN ) (resid 51 and name HA ) 2.5 0.7 0.5
assign (resid 51 and name HN ) (resid 51 and name HB1 ) 3.0 1.2 0.6
assign (resid 51 and name HN ) (resid 51 and name HB2 ) 3.0 1.2 0.6
assign (resid 51 and name HA ) (resid 51 and name HB1 ) 2.5 0.7 0.5
assign (resid 51 and name HA ) (resid 51 and name HB2 ) 2.5 0.7 0.5
               
assign (resid 51 and name HN ) (resid 52 and name HN ) 2.5 0.7 0.5
assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 1.2 0.6
assign (resid 51 and name HB# ) (resid 52 and name HN ) 3.0 2.2 1.6
assign (resid 51 and name HG# ) (resid 52 and name HN ) 3.0 2.2 1.6
assign (resid 51 and name HB# ) (resid 52 and name HG2# ) 4 3.2 3.5
assign (resid 51 and name HB# ) (resid 53 and name HN ) 4 3.2 2
assign (resid 51 and name HN ) (resid 53 and name HN ) 4.0 2.2 1
assign (resid 51 and name HA ) (resid 54 and name HN ) 3.0 1.2 0.6
assign (resid 51 and name HB# ) (resid 54 and name HN ) 4.0 3.2 2
assign (resid 51 and name HA ) (resid 54 and name HB1 ) 4 2.2 1
assign (resid 51 and name HA ) (resid 54 and name HB2 ) 4 2.2 1
               
!T52               
assign (resid 52 and name HN ) (resid 52 and name HA ) 2.5 0.7 0.5
assign (resid 52 and name HN ) (resid 52 and name HB ) 2.5 0.7 0.5
assign (resid 52 and name HN ) (resid 52 and name HG2# ) 4 3.2 2
assign (resid 52 and name HA ) (resid 52 and name HB ) 3.0 1.2 0.6
assign (resid 52 and name HA ) (resid 52 and name HG2# ) 4 3.2 2               
assign (resid 52 and name HN ) (resid 53 and name HN ) 2.5 0.7 0.5
assign (resid 52 and name HA ) (resid 53 and name HN ) 3.0 1.2 0.6
assign (resid 52 and name HB ) (resid 53 and name HN ) 3.0 1.2 0.6
assign (resid 52 and name HG2#) (resid 53 and name HN ) 4.0 3.2 2.5 
assign (resid 52 and name HA ) (resid 55 and name HN ) 3.0 1.2 0.6
assign (resid 52 and name HB ) (resid 55 and name HN ) 4 2.2 1
assign (resid 52 and name HN ) (resid 54 and name HN ) 4 2.2 1
assign (resid 52 and name HA ) (resid 54 and name HN ) 3.0 1.2 0.7
assign (resid 52 and name HA ) (resid 54 and name HG# ) 4 3.2 2
!V53               
assign (resid 53 and name HN ) (resid 53 and name HA ) 2.5 0.7 0.5
assign (resid 53 and name HN ) (resid 53 and name HB ) 2.5 0.7 0.5
assign (resid 53 and name HN ) (resid 53 and name HG1# ) 4 2.8 1.6
assign (resid 53 and name HN ) (resid 53 and name HG2# ) 4 2.8 1.6
assign (resid 53 and name HA ) (resid 53 and name HB ) 3.0 1.2 0.6
assign (resid 53 and name HA ) (resid 53 and name HG1# ) 3.0 1.8 1.2
assign (resid 53 and name HA ) (resid 53 and name HG2# ) 3.0 1.8 1.2
assign (resid 53 and name HB ) (resid 53 and name HG1# ) 3.0 1.8 1.2
assign (resid 53 and name HB ) (resid 53 and name HG2# ) 3.0 1.8 1.2
               
assign (resid 53 and name HN ) (resid 54 and name HN ) 2.5 0.7 0.5
assign (resid 53 and name HA ) (resid 54 and name HN ) 3.0 1.2 0.6
assign (resid 53 and name HG1# ) (resid 54 and name HN ) 4 3.2 2.5
assign (resid 53 and name HG2# ) (resid 54 and name HN ) 4 3.2 2.5
assign (resid 53 and name HB ) (resid 54 and name HN ) 3.0 1.2 0.6
assign (resid 53 and name HN ) (resid 55 and name HN ) 4.0 2.2 1
assign (resid 53 and name HB ) (resid 52 and name HN ) 4 2.2 1
assign (resid 53 and name HG#) (resid 52 and name HN ) 4.0 3.2 3.5 
assign (resid 53 and name HA ) (resid 56 and name HN ) 3.0 1.2 0.6
assign (resid 53 and name HA ) (resid 56 and name HB# ) 4 3.2 2
!E54               
assign (resid 54 and name HN ) (resid 54 and name HA ) 2.5 0.7 0.5
assign (resid 54 and name HN ) (resid 54 and name HB1 ) 2.5 0.7 0.5
assign (resid 54 and name HN ) (resid 54 and name HB2 ) 2.5 0.7 0.5
assign (resid 54 and name HN ) (resid 54 and name HG# ) 4 2.8 0.7
assign (resid 54 and name HA ) (resid 54 and name HB1 ) 3.0 1.2 0.6
assign (resid 54 and name HA ) (resid 54 and name HB2 ) 3.0 1.2 0.6
assign (resid 54 and name HA ) (resid 54 and name HG# ) 3.0 1.8 1.2
               
assign (resid 54 and name HN ) (resid 55 and name HN ) 2.5 0.7 0.5
assign (resid 54 and name HA ) (resid 55 and name HN ) 3.0 1.2 0.6
assign (resid 54 and name HB# ) (resid 55 and name HN ) 3.0 2.2 1.6
assign (resid 54 and name HG# ) (resid 55 and name HN ) 4 3.2 2
assign (resid 54 and name HN ) (resid 56 and name HN ) 4.0 2.2 1
assign (resid 54 and name HA ) (resid 57 and name HN ) 3.0 1.2 0.6
assign (resid 54 and name HA ) (resid 57 and name HB# ) 4 3.2 2
assign (resid 54 and name HA ) (resid 57 and name HD* ) 4 3.2 2
assign (resid 54 and name HB# ) (resid 57 and name HN ) 4.0 3.2 2
               
!E55               
assign (resid 55 and name HN ) (resid 55 and name HA ) 2.5 0.7 0.5
assign (resid 55 and name HN ) (resid 55 and name HB1 ) 3.0 1.2 0.6
assign (resid 55 and name HN ) (resid 55 and name HB2 ) 3.0 1.2 0.6
               
assign (resid 55 and name HN ) (resid 56 and name HN ) 2.5 0.7 0.5
assign (resid 55 and name HA ) (resid 56 and name HN ) 3.0 1.2 0.6
assign (resid 55 and name HB# ) (resid 56 and name HN ) 3.0 2.2 1.6
assign (resid 55 and name HG# ) (resid 56 and name HN ) 3.0 2.2 1.6
assign (resid 55 and name HN ) (resid 57 and name HN ) 4.0 2.2 1
assign (resid 55 and name HB# ) (resid 57 and name HN ) 4.0 3.2 2
assign (resid 55 and name HA ) (resid 58 and name HN ) 3.0 1.2 0.6
assign (resid 55 and name HA ) (resid 59 and name HN ) 4 2.2 1
               
!N56               
assign (resid 56 and name HN ) (resid 56 and name HA ) 2.5 0.7 0.5
assign (resid 56 and name HN ) (resid 56 and name HB1 ) 3.0 1.2 0.6
assign (resid 56 and name HN ) (resid 56 and name HB2 ) 3.0 1.2 0.6
assign (resid 56 and name HA ) (resid 56 and name HB2 ) 2.5 0.7 0.5
assign (resid 56 and name HA ) (resid 56 and name HB1 ) 2.5 0.7 0.5
assign (resid 56 and name HA ) (resid 56 and name HD21 ) 3.0 1.2 0.6
assign (resid 56 and name HA ) (resid 56 and name HD22 ) 3.0 1.2 0.6
               
assign (resid 56 and name HN ) (resid 57 and name HN ) 2.5 0.7 0.5
assign (resid 56 and name HA ) (resid 57 and name HN ) 3.0 1.2 0.6
assign (resid 56 and name HB1 ) (resid 57 and name HN ) 3.0 1.2 0.6
assign (resid 56 and name HB2 ) (resid 57 and name HN ) 3.0 1.2 0.6
assign (resid 56 and name HN ) (resid 58 and name HN ) 4.0 2.2 1
assign (resid 56 and name HA ) (resid 59 and name HN ) 3.0 1.2 0.6
assign (resid 56 and name HA ) (resid 59 and name HB1 ) 4 2.2 1
assign (resid 56 and name HA ) (resid 59 and name HB2 ) 4 2.2 1
assign (resid 56 and name HA ) (resid 59 and name HG# ) 4 3.2 2
assign (resid 56 and name HB# ) (resid 59 and name HN ) 4 3.2 2
assign (resid 56 and name HD2# ) (resid 60 and name HA ) 4.0 3.2 2
assign (resid 56 and name HD21 ) (resid 60 and name HB# ) 4.0 3.2 2.5
assign (resid 56 and name HD22 ) (resid 60 and name HB# ) 4.0 3.2 2.5
              
!L57               
assign (resid 57 and name HN ) (resid 57 and name HA ) 2.5 0.7 0.5
assign (resid 57 and name HN ) (resid 57 and name HB1 ) 2.5 0.7 0.5
assign (resid 57 and name HN ) (resid 57 and name HB2 ) 2.5 0.7 0.5
assign (resid 57 and name HN ) (resid 57 and name HD1# ) 4 3.2 2
assign (resid 57 and name HN ) (resid 57 and name HD2# ) 4 3.2 2
assign (resid 57 and name HA ) (resid 57 and name HB1 ) 3.0 1.2 0.6
assign (resid 57 and name HA ) (resid 57 and name HB2 ) 3.0 1.2 0.6
assign (resid 57 and name HA ) (resid 57 and name HD1# ) 4 3.2 2
assign (resid 57 and name HA ) (resid 57 and name HD2# ) 4 3.2 2
assign (resid 57 and name HB1 ) (resid 57 and name HD1# ) 3.0 1.8 1.2
assign (resid 57 and name HB2 ) (resid 57 and name HD1# ) 3.0 1.8 1.2
assign (resid 57 and name HB1 ) (resid 57 and name HD2# ) 3.0 1.8 1.2
assign (resid 57 and name HB2 ) (resid 57 and name HD2# ) 3.0 1.8 1.2
!inter               
assign (resid 57 and name HN ) (resid 58 and name HN ) 2.5 0.7 0.5
assign (resid 57 and name HA ) (resid 58 and name HN ) 3.0 1.2 0.6
assign (resid 57 and name HB# ) (resid 58 and name HN ) 3.0 2.2 1.6
assign (resid 57 and name HD1# ) (resid 58 and name HN ) 4.0 3.2 2
assign (resid 57 and name HD2# ) (resid 58 and name HN ) 4.0 3.2 2
assign (resid 57 and name HG ) (resid 58 and name HN ) 3.0 1.2 0.6
assign (resid 57 and name HB# ) (resid 59 and name HN ) 4 3.2 2
assign (resid 57 and name HA ) (resid 59 and name HB# ) 4 3.2 2
assign (resid 57 and name HN ) (resid 59 and name HN ) 4 2.2 1
assign (resid 57 and name HB# ) (resid 56 and name HN ) 4 3.2 2
assign (resid 57 and name HD1# ) (resid 59 and name HN ) 4 3.2 2.5
assign (resid 57 and name HD2# ) (resid 59 and name HN ) 4 3.2 2.5
              
!G58               
assign (resid 58 and name HN ) (resid 58 and name HA1 ) 2.5 0.7 0.5
assign (resid 58 and name HN ) (resid 58 and name HA2 ) 2.5 0.7 0.5
assign (resid 58 and name HN ) (resid 59 and name HN ) 2.5 0.7 0.5
assign (resid 58 and name HA1 ) (resid 59 and name HN ) 3.0 1.2 0.6
assign (resid 58 and name HA2 ) (resid 59 and name HN ) 3.0 1.2 0.6
assign (resid 58 and name HA# ) (resid 61 and name HB# ) 4 4.2 3
               
!R59               
assign (resid 59 and name HN ) (resid 59 and name HA ) 2.5 0.7 0.5
assign (resid 59 and name HN ) (resid 59 and name HB1 ) 2.5 0.7 0.5
assign (resid 59 and name HN ) (resid 59 and name HB2 ) 2.5 0.7 0.5
assign (resid 59 and name HN ) (resid 59 and name HG# ) 4 3.2 2
               
assign (resid 59 and name HN ) (resid 57 and name HD2#) 4.0 3.2 2.5 
assign (resid 59 and name HN ) (resid 60 and name HN ) 2.5 0.7 0.5
assign (resid 59 and name HA ) (resid 60 and name HN ) 3.0 1.2 0.6
assign (resid 59 and name HB# ) (resid 60 and name HA ) 4 3.2 2
assign (resid 59 and name HB# ) (resid 61 and name HN ) 4 3.2 2
assign (resid 59 and name HB# ) (resid 62 and name HN ) 4 3.2 2
assign (resid 59 and name HG# ) (resid 62 and name HN ) 4 3.2 2
assign (resid 59 and name HA ) (resid 62 and name HB1 ) 4 2.2 1
assign (resid 59 and name HA ) (resid 62 and name HB2 ) 4 2.2 1
               
!A60               
assign (resid 60 and name HN ) (resid 60 and name HA ) 2.5 0.7 0.5
assign (resid 60 and name HN ) (resid 60 and name HB# ) 2.5 1.3 1.1
assign (resid 60 and name HA ) (resid 60 and name HB# ) 3.0 1.8 1.2
               
assign (resid 60 and name HN ) (resid 61 and name HN ) 2.5 0.7 0.5
assign (resid 60 and name HA ) (resid 61 and name HN ) 3.0 1.2 0.6
assign (resid 60 and name HB# ) (resid 61 and name HN ) 3.0 2.2 1.6
assign (resid 60 and name HB# ) (resid 62 and name HN ) 4 3.2 2.5
               
!W61               
assign (resid 61 and name HN ) (resid 61 and name HA ) 2.5 0.7 0.5
assign (resid 61 and name HN ) (resid 61 and name HB1 ) 2.5 0.7 0.5
assign (resid 61 and name HN ) (resid 61 and name HB2 ) 2.5 0.7 0.5
assign (resid 61 and name HA ) (resid 61 and name HB1 ) 2.5 0.7 0.5
assign (resid 61 and name HA ) (resid 61 and name HB2 ) 2.5 0.7 0.5
assign (resid 61 and name HD1 ) (resid 61 and name HN ) 4 2.2 1
               
assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 0.5
assign (resid 61 and name HB1 ) (resid 62 and name HN ) 4 2.2 1
assign (resid 61 and name HB2 ) (resid 62 and name HN ) 4 2.2 1
assign (resid 61 and name HB# ) (resid 62 and name HA ) 4 3.2 2
assign (resid 61 and name HN ) (resid 62 and name HN ) 4 2.2 1
assign (resid 61 and name HD1 ) (resid 62 and name HN ) 4 2.2 1
               
!D62               
assign (resid 62 and name HN ) (resid 62 and name HA ) 2.5 0.7 0.5
assign (resid 62 and name HN ) (resid 62 and name HB1 ) 3.0 1.2 0.6
assign (resid 62 and name HN ) (resid 62 and name HB2 ) 3.0 1.2 0.6
assign (resid 62 and name HA ) (resid 62 and name HB1 ) 2.5 0.7 0.5
assign (resid 62 and name HA ) (resid 62 and name HB2 ) 2.5 0.7 0.5
               
assign (resid 62 and name HN ) (resid 63 and name HN ) 3.0 1.2 0.6
assign (resid 62 and name HA ) (resid 63 and name HN ) 3.0 1.2 0.6
assign (resid 62 and name HA ) (resid 63 and name HA ) 4 2.2 1
assign (resid 62 and name HA ) (resid 64 and name HN ) 4 2.2 1
assign (resid 62 and name HB# ) (resid 64 and name HN ) 4 3.2 2
assign (resid 62 and name HB1 ) (resid 63 and name HN ) 4 2.2 1
assign (resid 62 and name HB2 ) (resid 63 and name HN ) 4 2.2 1
               
!V63               
assign (resid 63 and name HN ) (resid 63 and name HA ) 2.5 0.7 0.5
assign (resid 63 and name HN ) (resid 63 and name HB ) 2.5 0.7 0.5
assign (resid 63 and name HN ) (resid 63 and name HG# ) 3.0 2.9 2.3
assign (resid 63 and name HA ) (resid 63 and name HB ) 3.0 1.2 0.6
assign (resid 63 and name HA ) (resid 63 and name HG1# ) 3.0 1.8 1.2
assign (resid 63 and name HA ) (resid 63 and name HG2# ) 3.0 1.8 1.2
               
assign (resid 63 and name HN ) (resid 64 and name HN ) 2.5 0.7 0.5
assign (resid 63 and name HN ) (resid 65 and name HN ) 4 2.2 1
assign (resid 63 and name HA ) (resid 65 and name HN ) 4 2.2 1
assign (resid 63 and name HB ) (resid 65 and name HN ) 4 2.2 1
assign (resid 63 and name HG1# ) (resid 65 and name HN ) 4 3.2 2.5
assign (resid 63 and name HG2# ) (resid 65 and name HN ) 4 3.2 2.5
assign (resid 63 and name HA ) (resid 66 and name HN ) 3.0 1.2 0.6
assign (resid 63 and name HB ) (resid 66 and name HN ) 4 2.2 1
assign (resid 63 and name HG1# ) (resid 66 and name HN ) 4 3.2 2.5
assign (resid 63 and name HG2# ) (resid 66 and name HN ) 4 3.2 2.5
assign (resid 63 and name HG# ) (resid 67 and name HN ) 4 4.2 3.5
assign (resid 63 and name HA ) (resid 64 and name HN ) 3.0 1.2 0.6
assign (resid 63 and name HB ) (resid 64 and name HN ) 3.0 1.2 0.6
assign (resid 63 and name HG1# ) (resid 64 and name HN ) 4 3.2 2
assign (resid 63 and name HG2# ) (resid 64 and name HN ) 4 3.2 2
               
!Q64               
assign (resid 64 and name HN ) (resid 64 and name HA ) 2.5 0.7 0.5
assign (resid 64 and name HN ) (resid 64 and name HB# ) 3.0 1.8 1.2
assign (resid 64 and name HN ) (resid 64 and name HG# ) 3.0 2.2 1.6
assign (resid 64 and name HE21 ) (resid 63 and name HB ) 4.0 2.2 1
assign (resid 64 and name HE22 ) (resid 63 and name HB ) 4.0 2.2 1
assign (resid 64 and name HE21 ) (resid 63 and name HG1# ) 4.0 3.2 2.5
assign (resid 64 and name HE21 ) (resid 63 and name HG2# ) 4.0 3.2 2.5
assign (resid 64 and name HE22 ) (resid 63 and name HG1# ) 4.0 3.2 2.5
assign (resid 64 and name HE22 ) (resid 63 and name HG2# ) 4.0 3.2 2.5
assign (resid 64 and name HN ) (resid 65 and name HN ) 2.5 0.7 0.5
assign (resid 64 and name HA ) (resid 65 and name HN ) 3.0 1.2 0.6
assign (resid 64 and name HB# ) (resid 65 and name HN ) 2.5 1.7 1.5
assign (resid 64 and name HG# ) (resid 65 and name HN ) 4 3.2 2
assign (resid 64 and name HN ) (resid 66 and name HN ) 4 2.2 1
assign (resid 64 and name HB# ) (resid 66 and name HN ) 4 3.2 2
assign (resid 64 and name HA ) (resid 67 and name HN ) 3.0 1.2 0.6
               
!E65               
assign (resid 65 and name HN ) (resid 65 and name HA ) 2.5 0.7 0.5
assign (resid 65 and name HN ) (resid 65 and name HB# ) 3.0 1.8 1.2
assign (resid 65 and name HN ) (resid 65 and name HG# ) 4 3.2 1.1
assign (resid 65 and name HA ) (resid 65 and name HB# ) 2.5 1.3 1.1
assign (resid 65 and name HA ) (resid 65 and name HG# ) 3.0 1.8 1.2
               
assign (resid 65 and name HN ) (resid 66 and name HN ) 2.5 0.7 0.5
assign (resid 65 and name HA ) (resid 66 and name HN ) 3.0 1.2 0.6
assign (resid 65 and name HB# ) (resid 66 and name HN ) 3.0 2.2 1.6
assign (resid 65 and name HG# ) (resid 66 and name HN ) 4.0 3.2 2
assign (resid 65 and name HA ) (resid 66 and name HA ) 4 2.2 1
assign (resid 65 and name HN ) (resid 67 and name HN ) 4 2.2 1
               
!M66               
assign (resid 66 and name HN ) (resid 66 and name HA ) 2.5 0.7 0.5
assign (resid 66 and name HN ) (resid 66 and name HB1 ) 3.0 1.2 0.6
assign (resid 66 and name HN ) (resid 66 and name HB2 ) 3.0 1.2 0.6
assign (resid 66 and name HA ) (resid 66 and name HB# ) 2.5 1.3 1.1
assign (resid 66 and name HA ) (resid 66 and name HG# ) 2.5 1.3 1.1
               
assign (resid 66 and name HN ) (resid 67 and name HN ) 2.5 0.7 0.5
assign (resid 66 and name HA ) (resid 67 and name HN ) 3.0 1.2 0.6
assign (resid 66 and name HB1 ) (resid 67 and name HN ) 3.0 1.2 0.6
assign (resid 66 and name HB2 ) (resid 67 and name HN ) 3.0 1.2 0.6
assign (resid 66 and name HG# ) (resid 67 and name HN ) 4 3.2 2
assign (resid 66 and name HA ) (resid 68 and name HN ) 4 2.2 1
assign (resid 66 and name HN ) (resid 68 and name HN ) 4 2.2 1
assign (resid 66 and name HA ) (resid 68 and name HG# ) 4 4.6 3.9
               
!L67               
assign (resid 67 and name HN ) (resid 67 and name HA ) 2.5 0.7 0.5
assign (resid 67 and name HN ) (resid 67 and name HB1 ) 3.0 1.2 0.6
assign (resid 67 and name HN ) (resid 67 and name HB2 ) 3.0 1.2 0.6
assign (resid 67 and name HN ) (resid 67 and name HD# ) 3.0 2.9 2.3
               
assign (resid 67 and name HN ) (resid 68 and name HN ) 2.5 0.7 0.5
assign (resid 67 and name HA ) (resid 68 and name HN ) 3.0 1.2 0.6
assign (resid 67 and name HB# ) (resid 68 and name HN ) 3.0 2.2 1.6
assign (resid 67 and name HG ) (resid 68 and name HN ) 4.0 2.2 1
assign (resid 67 and name HD1# ) (resid 68 and name HN ) 4 3.2 2
assign (resid 67 and name HD2# ) (resid 68 and name HN ) 4 3.2 2
assign (resid 67 and name HD# ) (resid 69 and name HN ) 4 3.2 3
assign (resid 67 and name HN ) (resid 69 and name HN ) 4.0 2.2 1
              
!V68               
assign (resid 68 and name HN ) (resid 68 and name HA ) 2.5 0.7 0.5
assign (resid 68 and name HN ) (resid 68 and name HB ) 3.0 1.2 0.6
assign (resid 68 and name HN ) (resid 68 and name HG# ) 3.0 2.9 2.3
assign (resid 68 and name HA ) (resid 68 and name HB ) 2.5 0.7 0.5
assign (resid 68 and name HA ) (resid 68 and name HG# ) 3.0 2.2 1.6
               
assign (resid 68 and name HN ) (resid 69 and name HN ) 3.0 1.2 0.6
assign (resid 68 and name HA ) (resid 69 and name HN ) 3.0 1.2 0.6
assign (resid 68 and name HB ) (resid 69 and name HN ) 3.0 1.2 0.6
assign (resid 68 and name HG1# ) (resid 69 and name HN ) 4 3.2 2
assign (resid 68 and name HG2# ) (resid 69 and name HN ) 4 3.2 2
               
!D69               
assign (resid 69 and name HN ) (resid 69 and name HA ) 2.5 0.7 0.5
assign (resid 69 and name HN ) (resid 69 and name HB1 ) 3.0 1.2 0.6
assign (resid 69 and name HN ) (resid 69 and name HB2 ) 3.0 1.2 0.6
assign (resid 69 and name HA ) (resid 69 and name HB1 ) 2.5 0.7 0.5
assign (resid 69 and name HA ) (resid 69 and name HB2 ) 2.5 0.7 0.5
!inter               
assign (resid 69 and name HN ) (resid 70 and name HN ) 4.0 2.2 1.0
assign (resid 69 and name HA ) (resid 70 and name HN ) 3.0 1.2 0.6
assign (resid 69 and name HB1 ) (resid 70 and name HN ) 4 2.2 1
assign (resid 69 and name HB2 ) (resid 70 and name HN ) 4 2.2 1
              
!V70               
assign (resid 70 and name HN ) (resid 70 and name HA ) 2.5 0.7 0.5
assign (resid 70 and name HN ) (resid 70 and name HB ) 2.5 0.7 0.5
assign (resid 70 and name HN ) (resid 70 and name HG# ) 4 3.9 1.8
assign (resid 70 and name HA ) (resid 70 and name HB ) 3.0 1.2 0.6
assign (resid 70 and name HA ) (resid 70 and name HG# ) 3.0 2.2 1.6
               
assign (resid 70 and name HA ) (resid 71 and name HN ) 2.5 0.7 0.5
assign (resid 70 and name HG#) (resid 71 and name HN ) 3.0 2.2 2.5 
assign (resid 70 and name HG# ) (resid 72 and name HN ) 4 4.2 3.5
assign (resid 70 and name HG# ) (resid 38 and name HN ) 4 4.2 3.5
assign (resid 70 and name HG# ) (resid 9 and name HN ) 4 4.2 3.5
               
!I71               
assign (resid 71 and name HN ) (resid 71 and name HA ) 2.5 0.7 0.5
assign (resid 71 and name HN ) (resid 71 and name HB ) 3.0 1.2 0.6
assign (resid 71 and name HN ) (resid 71 and name HG2# ) 4 3.2 2
assign (resid 71 and name HN ) (resid 72 and name HN ) 4.0 2.2 1.0
assign (resid 71 and name HA ) (resid 72 and name HN ) 3.0 1.2 0.6
assign (resid 71 and name HB ) (resid 72 and name HN ) 3.0 1.2 0.6
assign (resid 71 and name HG1# ) (resid 72 and name HN ) 4.0 3.2 2
assign (resid 71 and name HD1# ) (resid 72 and name HN ) 4.0 3.2 2
assign (resid 71 and name HG2# ) (resid 10 and name HN ) 4.0 3.2 2.5
assign (resid 71 and name HG2# ) (resid 72 and name HN ) 4 3.2 2.5
               
!T72               
assign (resid 72 and name HN ) (resid 72 and name HA ) 2.5 0.7 0.5
assign (resid 72 and name HN ) (resid 72 and name HB ) 3.0 1.2 0.6
assign (resid 72 and name HN ) (resid 72 and name HG2# ) 4 3.2 2
assign (resid 72 and name HA ) (resid 73 and name HN ) 2.5 0.7 0.5
assign (resid 72 and name HA ) (resid 73 and name HA ) 4 2.2 1
assign (resid 72 and name HB ) (resid 73 and name HN ) 3.0 1.2 0.6
assign (resid 72 and name HG2#) (resid 73 and name HN ) 4.0 3.2 2.5 
               
!I73               
assign (resid 73 and name HN ) (resid 73 and name HA ) 2.5 0.7 0.5
assign (resid 73 and name HN ) (resid 73 and name HB ) 3.0 1.2 0.6
assign (resid 73 and name HN ) (resid 73 and name HG2# ) 4 3.2 2
assign (resid 73 and name HA ) (resid 73 and name HB ) 2.5 0.7 0.5
assign (resid 73 and name HN ) (resid 74 and name HN ) 4 2.2 1
assign (resid 73 and name HA ) (resid 74 and name HN ) 2.5 0.7 0.5
assign (resid 73 and name HB ) (resid 74 and name HN ) 3.0 1.2 0.6
assign (resid 73 and name HG2# ) (resid 74 and name HN ) 4 3.2 2.5
assign (resid 73 and name HD1# ) (resid 74 and name HN ) 4 3.2 2.5
assign (resid 73 and name HG2# ) (resid 75 and name HN ) 4 3.2 2.5
assign (resid 73 and name HD1# ) (resid 75 and name HN ) 4 3.2 2.5
assign (resid 73 and name HG2# ) (resid 8 and name HN ) 4 3.2 2.5
               
!G74               
assign (resid 74 and name HN ) (resid 74 and name HA1 ) 2.5 0.7 0.5
assign (resid 74 and name HN ) (resid 74 and name HA2 ) 2.5 0.7 0.5
assign (resid 74 and name HN ) (resid 75 and name HN ) 3.0 1.2 0.6
assign (resid 74 and name HA1 ) (resid 75 and name HN ) 3.0 1.2 0.6
assign (resid 74 and name HA2 ) (resid 75 and name HN ) 3.0 1.2 0.6
assign (resid 74 and name HA# ) (resid 76 and name HN ) 4 3.2 2
               
!G75               
assign (resid 75 and name HN ) (resid 75 and name HA1 ) 2.5 0.7 0.5
assign (resid 75 and name HN ) (resid 75 and name HA2 ) 2.5 0.7 0.5
assign (resid 75 and name HN ) (resid 76 and name HN ) 3.0 1.2 0.6
assign (resid 75 and name HA# ) (resid 76 and name HN ) 3.0 2.2 1.6
               
!D76               
assign (resid 76 and name HN ) (resid 76 and name HA ) 2.5 0.7 0.5
assign (resid 76 and name HN ) (resid 76 and name HB# ) 3.0 1.8 1.2               
assign (resid 76 and name HA ) (resid 77 and name HN ) 2.5 0.7 0.5
assign (resid 76 and name HN ) (resid 77 and name HN ) 4.0 2.2 1
assign (resid 76 and name HB# ) (resid 77 and name HN ) 3.0 2.2 1.6
assign (resid 76 and name HN ) (resid 87 and name HN ) 4.0 2.2 1.0
assign (resid 76 and name HB# ) (resid 87 and name HN ) 4 3.2 2
               
!V77               
assign (resid 77 and name HN ) (resid 77 and name HA ) 2.5 0.7 0.5
assign (resid 77 and name HN ) (resid 77 and name HB ) 3.0 1.2 0.6
assign (resid 77 and name HN ) (resid 77 and name HG1# ) 3.0 2.2 1.6
assign (resid 77 and name HN ) (resid 77 and name HG2# ) 4 3.2 2
assign (resid 77 and name HA ) (resid 77 and name HB ) 2.5 0.7 0.5
assign (resid 77 and name HA ) (resid 77 and name HG1# ) 3.0 1.8 1.2
assign (resid 77 and name HA ) (resid 77 and name HG2# ) 3.0 1.8 1.2               
assign (resid 77 and name HA ) (resid 78 and name HN ) 3.0 1.2 0.6
assign (resid 77 and name HN ) (resid 78 and name HN ) 4.0 2.2 1
assign (resid 77 and name HB ) (resid 78 and name HN ) 4.0 2.2 1.0
assign (resid 77 and name HG1# ) (resid 78 and name HN ) 4 3.2 2.5
assign (resid 77 and name HG2# ) (resid 78 and name HN ) 4 3.2 2.5
assign (resid 77 and name HG2# ) (resid 79 and name HN ) 4 3.2 2.5
assign (resid 77 and name HG1# ) (resid 79 and name HN ) 4 3.2 2.5
assign (resid 77 and name HA ) (resid 87 and name HN ) 4 2.2 1
assign (resid 77 and name HA ) (resid 86 and name HD# ) 4 4.2 3.5
assign (resid 77 and name HG# ) (resid 86 and name HA ) 4 4.2 3.5
               
!D78               
assign (resid 78 and name HN ) (resid 78 and name HA ) 2.5 0.7 0.5
assign (resid 78 and name HN ) (resid 78 and name HB1 ) 3.0 1.2 0.6
assign (resid 78 and name HN ) (resid 78 and name HB2 ) 3.0 1.2 0.6
assign (resid 78 and name HN ) (resid 79 and name HN ) 4.0 2.2 1
assign (resid 78 and name HA ) (resid 79 and name HN ) 2.5 0.7 0.5
assign (resid 78 and name HB1 ) (resid 79 and name HN ) 3.0 1.2 0.6
assign (resid 78 and name HB2 ) (resid 79 and name HN ) 3.0 1.2 0.6
assign (resid 78 and name HN ) (resid 86 and name HA ) 3.0 1.2 0.6
assign (resid 78 and name HN ) (resid 86 and name HG ) 4.0 2.2 1
assign (resid 78 and name HN ) (resid 85 and name HN ) 4.0 2.2 1.0
               
!E79 intra              
assign (resid 79 and name HN ) (resid 79 and name HA ) 2.5 0.7 0.5
assign (resid 79 and name HN ) (resid 79 and name HB# ) 3.0 1.8 1.2
assign (resid 79 and name HN ) (resid 79 and name HG# ) 3.0 2.2 1.6
assign (resid 79 and name HA ) (resid 79 and name HB# ) 2.5 0.7 0.5
assign (resid 79 and name HA ) (resid 79 and name HG# ) 3.0 1.8 1.2
!inter               
assign (resid 79 and name HN ) (resid 80 and name HN ) 4.0 2.2 1.0
assign (resid 79 and name HA ) (resid 80 and name HN ) 3.0 1.2 0.6
assign (resid 79 and name HB# ) (resid 80 and name HN ) 4 3.2 2
assign (resid 79 and name HG# ) (resid 80 and name HN ) 4 3.2 2
!long               
assign (resid 79 and name HA ) (resid 85 and name HN ) 3.0 1.2 0.6
assign (resid 79 and name HA ) (resid 84 and name HD* ) 4 4.6 3.9
assign (resid 79 and name HB# ) (resid 85 and name HN ) 4 3.2 2
assign (resid 84 and name HA ) (resid 79 and name HA ) 3.0 1.2 0.6
               
!D80               
assign (resid 80 and name HN ) (resid 80 and name HA ) 2.5 0.7 0.5
assign (resid 80 and name HN ) (resid 80 and name HB1 ) 3.0 1.2 0.6
assign (resid 80 and name HN ) (resid 80 and name HB2 ) 3.0 1.2 0.6
               
assign (resid 80 and name HN ) (resid 81 and name HN ) 3.0 1.2 0.6
assign (resid 80 and name HA ) (resid 81 and name HN ) 3.0 1.2 0.6
assign (resid 80 and name HB1 ) (resid 81 and name HN ) 3.0 1.2 0.6
assign (resid 80 and name HB2 ) (resid 81 and name HN ) 3.0 1.2 0.6
assign (resid 80 and name HB# ) (resid 82 and name HN ) 4.0 3.2 2
assign (resid 80 and name HN ) (resid 83 and name HN ) 4.0 2.2 1
               
!D81               
assign (resid 81 and name HN ) (resid 81 and name HA ) 2.5 0.7 0.7
assign (resid 81 and name HN ) (resid 81 and name HB1 ) 3.0 1.2 0.6
assign (resid 81 and name HN ) (resid 81 and name HB2 ) 3.0 1.2 0.6
assign (resid 81 and name HA ) (resid 81 and name HB1 ) 2.5 0.7 0.5
assign (resid 81 and name HA ) (resid 81 and name HB2 ) 2.5 0.7 0.5               
assign (resid 81 and name HN ) (resid 82 and name HN ) 3.0 1.2 0.6
assign (resid 81 and name HA ) (resid 82 and name HN ) 3.0 1.2 0.6
assign (resid 81 and name HA ) (resid 82 and name HA ) 4 2.2 1
assign (resid 81 and name HA ) (resid 82 and name HB# ) 4 3.2 2
assign (resid 81 and name HB# ) (resid 82 and name HB# ) 4 4.2 3
assign (resid 81 and name HB# ) (resid 82 and name HN ) 2.5 1.7 1.5

!D82               
assign (resid 82 and name HN ) (resid 82 and name HA ) 2.5 0.7 0.5
assign (resid 82 and name HN ) (resid 82 and name HB# ) 3.0 1.8 1.2               
assign (resid 82 and name HN ) (resid 83 and name HN ) 2.5 0.7 0.5
assign (resid 82 and name HA ) (resid 83 and name HN ) 3.0 1.2 0.6
assign (resid 82 and name HB# ) (resid 83 and name HN ) 3.0 2.2 1.6
               
!R83               
assign (resid 83 and name HN ) (resid 83 and name HA ) 2.5 0.7 0.5
assign (resid 83 and name HN ) (resid 83 and name HB1 ) 3.0 1.2 0.6
assign (resid 83 and name HN ) (resid 83 and name HB2 ) 3.0 1.2 0.6
assign (resid 83 and name HN ) (resid 83 and name HG# ) 4 3.2 1.1              
assign (resid 83 and name HN ) (resid 84 and name HN ) 4.0 2.2 1
assign (resid 83 and name HA ) (resid 84 and name HN ) 3.0 1.2 0.6
assign (resid 83 and name HB# ) (resid 84 and name HN ) 3.0 2.2 1.6
assign (resid 83 and name HG# ) (resid 84 and name HN ) 3.0 2.2 1.6
assign (resid 83 and name HB2 ) (resid 82 and name HN ) 4.0 2.2 1
assign (resid 83 and name HB1 ) (resid 82 and name HN ) 4.0 2.2 1
assign (resid 83 and name HG# ) (resid 82 and name HN ) 4 3.2 2
assign (resid 83 and name HA ) (resid 50 and name HN ) 4 2.2 1
assign (resid 83 and name HB1 ) (resid 84 and name HN ) 3.0 1.2 0.6
assign (resid 83 and name HB2 ) (resid 84 and name HN ) 3.0 1.2 0.6
assign (resid 83 and name HG# ) (resid 84 and name HN ) 4 3.2 2
assign (resid 83 and name HG# ) (resid 49 and name HN ) 4 3.2 2
assign (resid 83 and name HG# ) (resid 50 and name HN ) 4 3.2 2
               
!F84               
assign (resid 84 and name HN ) (resid 84 and name HA ) 2.5 0.7 0.5
assign (resid 84 and name HN ) (resid 84 and name HB1 ) 3.0 1.2 0.6
assign (resid 84 and name HN ) (resid 84 and name HB2 ) 3.0 1.2 0.6
assign (resid 84 and name HN ) (resid 84 and name HD# ) 3.0 3.6 3
assign (resid 84 and name HA ) (resid 84 and name HB1 ) 2.5 0.7 0.5
assign (resid 84 and name HA ) (resid 84 and name HB2 ) 2.5 0.7 0.5
assign (resid 84 and name HA ) (resid 84 and name HD# ) 4 4.6 3.4
assign (resid 84 and name HB1 ) (resid 84 and name HD# ) 3.0 2.6 2
assign (resid 84 and name HB2 ) (resid 84 and name HD# ) 3.0 2.6 2
!inter               
assign (resid 84 and name HA ) (resid 85 and name HN ) 2.5 0.7 0.5
assign (resid 84 and name HB# ) (resid 85 and name HN ) 4 2.2 1
assign (resid 84 and name HD# ) (resid 86 and name HD1# ) 4 5.6 4.9
!long               
assign (resid 84 and name HA ) (resid 80 and name HN ) 3.0 1.2 0.6
assign (resid 84 and name HB1 ) (resid 85 and name HN ) 4 2.2 1
assign (resid 84 and name HD# ) (resid 48 and name HN ) 4.0 4.2 3
assign (resid 84 and name HB# ) (resid 48 and name HN ) 4 3.2 2
               
!V85               
assign (resid 85 and name HN ) (resid 85 and name HA ) 2.5 0.7 0.5
assign (resid 85 and name HN ) (resid 85 and name HB ) 3.0 1.2 0.6
assign (resid 85 and name HN ) (resid 85 and name HG# ) 4 3.9 1.8
assign (resid 85 and name HA ) (resid 85 and name HB ) 2.5 0.7 0.5
assign (resid 85 and name HA ) (resid 85 and name HG# ) 3.0 2.2 1.6
!inter               
assign (resid 85 and name HA ) (resid 86 and name HN ) 2.5 0.7 0.5
assign (resid 85 and name HG# ) (resid 86 and name HN ) 4 3.2 2.5
assign (resid 85 and name HG1# ) (resid 87 and name HN ) 4 3.2 2.5
assign (resid 85 and name HG2# ) (resid 87 and name HN ) 4 3.2 2.5
!long               
assign (resid 85 and name HA ) (resid 47 and name HA ) 3.0 1.2 0.6
assign (resid 85 and name HA ) (resid 48 and name HN ) 3.0 1.2 0.6
assign (resid 85 and name HB ) (resid 48 and name HN ) 4 2.2 1
               
!L86               
assign (resid 86 and name HN ) (resid 86 and name HA ) 2.5 0.7 0.5
assign (resid 86 and name HN ) (resid 86 and name HB1 ) 3.0 1.2 0.6
assign (resid 86 and name HN ) (resid 86 and name HB2 ) 3.0 1.2 0.6
assign (resid 86 and name HN ) (resid 86 and name HD1# ) 4 3.2 2
assign (resid 86 and name HN ) (resid 86 and name HD2# ) 4 3.2 2
assign (resid 86 and name HA ) (resid 86 and name HB1 ) 2.5 0.7 0.5
assign (resid 86 and name HA ) (resid 86 and name HB2 ) 2.5 0.7 0.5
assign (resid 86 and name HA ) (resid 86 and name HD# ) 4 3.2 2
!inter               
assign (resid 86 and name HA ) (resid 87 and name HN ) 2.5 0.7 0.5
assign (resid 86 and name HB# ) (resid 87 and name HN ) 3.0 2.2 1.6
assign (resid 86 and name HG ) (resid 87 and name HN ) 4 2.2 1
assign (resid 86 and name HD1# ) (resid 87 and name HN ) 4 3.2 2.5
assign (resid 86 and name HD2# ) (resid 87 and name HN ) 4 3.2 2.5
assign (resid 86 and name HD# ) (resid 87 and name HA ) 3.0 3.6 3.5
assign (resid 86 and name HD# ) (resid 87 and name HB1 ) 3.0 3.6 3.5
assign (resid 86 and name HD# ) (resid 87 and name HB2 ) 3.0 3.6 3.5
assign (resid 86 and name HD# ) (resid 88 and name HN ) 4 3.6 3.9
assign (resid 86 and name HD# ) (resid 88 and name HD1 ) 4 3.2 2.5               
assign (resid 86 and name HA ) (resid 77 and name HA ) 4.0 2.2 1.0
assign (resid 86 and name HD# ) (resid 76 and name HN ) 4 4.6 3.9
assign (resid 86 and name HA ) (resid 76 and name HN ) 4 2.2 1
               
!E87               
assign (resid 87 and name HN ) (resid 87 and name HA ) 2.5 0.7 0.5
assign (resid 87 and name HN ) (resid 87 and name HB1 ) 3.0 1.2 0.6
assign (resid 87 and name HN ) (resid 87 and name HB2 ) 3.0 1.2 0.6
assign (resid 87 and name HA ) (resid 87 and name HB1 ) 2.5 0.7 0.5
assign (resid 87 and name HA ) (resid 87 and name HB2 ) 2.5 0.7 0.5
!inter               
assign (resid 87 and name HA ) (resid 88 and name HN ) 2.5 0.7 0.5
assign (resid 87 and name HN ) (resid 88 and name HN ) 4.0 2.2 1
assign (resid 87 and name HB1 ) (resid 88 and name HN ) 3.0 1.2 0.6
assign (resid 87 and name HB2 ) (resid 88 and name HN ) 3.0 1.2 0.6
!long               
assign (resid 87 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.6
assign (resid 87 and name HB# ) (resid 46 and name HN ) 4 3.2 2
assign (resid 87 and name HB# ) (resid 45 and name HN ) 4 3.2 2
assign (resid 87 and name HG# ) (resid 45 and name HN ) 4 3.2 2
assign (resid 87 and name HB# ) (resid 44 and name HN ) 4 3.2 2
               
!W88               
assign (resid 88 and name HN ) (resid 88 and name HA ) 2.5 0.7 0.5
assign (resid 88 and name HN ) (resid 88 and name HB1 ) 2.5 0.7 0.5
assign (resid 88 and name HN ) (resid 88 and name HB2 ) 2.5 0.7 0.5
assign (resid 88 and name HD1 ) (resid 88 and name HN ) 4 2.2 1
assign (resid 88 and name HD1 ) (resid 88 and name HA ) 4 2.2 1
assign (resid 88 and name HD1 ) (resid 88 and name HB# ) 4 2.8 1.6
               
!inter               
assign (resid 88 and name HN ) (resid 86 and name HD1#) 4.0 3.2 2.0 
assign (resid 88 and name HA ) (resid 89 and name HN ) 4 2.2 1
!long               
assign (resid 88 and name HN ) (resid 45 and name HA ) 3.0 1.2 0.6
               
!K89               
assign (resid 89 and name HN ) (resid 89 and name HA ) 4 2.2 1
assign (resid 89 and name HN ) (resid 89 and name HB# ) 4 2.8 1.6
assign (resid 89 and name HN ) (resid 89 and name HG# ) 4 3.2 2
               
assign (resid 89 and name HA ) (resid 90 and name HN ) 3.0 1.2 0.6
assign (resid 89 and name HB# ) (resid 90 and name HN ) 4 3.2 2
assign (resid 89 and name HG# ) (resid 90 and name HN ) 4 3.2 2
               
!N90               
assign (resid 90 and name HN ) (resid 90 and name HA ) 2.5 0.7 0.5
assign (resid 90 and name HN ) (resid 90 and name HB1 ) 2.5 0.7 0.5
assign (resid 90 and name HN ) (resid 90 and name HB2 ) 2.5 0.7 0.5 
               
!!h-bond restraints              
               
!!14               
               
assign (resid 14 and name o) (resid 18 and name hn) 1.8 0.3 0.5  
assign (resid 14 and name o) (resid 18 and name n) 2.8 0.4 0.5  
               
!15               
               
assign (resid 15 and name o) (resid 19 and name hn) 1.8 0.3 0.5  
assign (resid 15 and name o) (resid 19 and name n) 2.8 0.4 0.5  
               
!16               
               
assign (resid 16 and name o) (resid 20 and name hn) 1.8 0.3 0.5  
assign (resid 16 and name o) (resid 20 and name n) 2.8 0.4 0.5  
               
!17               
assign (resid 17 and name o) (resid 21 and name hn) 1.8 0.3 0.5  
assign (resid 17 and name o) (resid 21 and name n) 2.8 0.4 0.5  
               
!18               
               
assign (resid 18 and name o) (resid 22 and name hn) 1.8 0.3 0.5  
assign (resid 18 and name o) (resid 22 and name n) 2.8 0.4 0.5  
               
!19               
               
assign (resid 19 and name o) (resid 23 and name hn) 1.8 0.3 0.5  
assign (resid 19 and name o) (resid 23 and name n) 2.8 0.4 0.5  
               
!20               
               
assign (resid 20 and name o) (resid 24 and name hn) 1.8 0.3 0.5  
assign (resid 20 and name o) (resid 24 and name n) 2.8 0.4 0.5  
               
!21               
               
assign (resid 21 and name o) (resid 25 and name hn) 1.8 0.3 0.8  
assign (resid 21 and name o) (resid 25 and name n) 2.8 0.4 0.8  
               
!22               
               
assign (resid 22 and name o) (resid 26 and name hn) 1.8 0.3 0.8  
assign (resid 22 and name o) (resid 26 and name n) 2.8 0.4 0.8  
               
!23               
               
assign (resid 56 and name o) (resid 60 and name hn) 1.8 0.3 0.8  
assign (resid 56 and name o) (resid 60 and name n) 2.8 0.4 0.8  
               
               
               
!51               
               
assign (resid 51 and name o) (resid 55 and name hn) 1.8 0.3 0.5  
assign (resid 51 and name o) (resid 55 and name n) 2.8 0.4 0.5  
               
!52               
               
assign (resid 52 and name o) (resid 56 and name hn) 1.8 0.3 0.5  
assign (resid 52 and name o) (resid 56 and name n) 2.8 0.4 0.5  
               
!53               
               
assign (resid 53 and name o) (resid 57 and name hn) 1.8 0.3 0.5  
assign (resid 53 and name o) (resid 57 and name n) 2.8 0.4 0.5  
               
!54               
               
assign (resid 54 and name o) (resid 58 and name hn) 1.8 0.3 0.5  
assign (resid 54 and name o) (resid 58 and name n) 2.8 0.4 0.5  
               
!55               
               
assign (resid 55 and name o) (resid 59 and name hn) 1.8 0.3 0.5  
assign (resid 55 and name o) (resid 59 and name n) 2.8 0.4 0.5  
               
!56               
               
assign (resid 63 and name o) (resid 66 and name hn) 1.8 0.3 0.5  
assign (resid 63 and name o) (resid 66 and name n) 2.8 0.4 0.5  
               
!4               
               
assign (resid 64 and name o) (resid 67 and name hn) 1.8 0.3 0.5  
assign (resid 64 and name o) (resid 67 and name n) 2.8 0.4 0.5  
               
!4               
               
! assign (resid 4 and name o) (resid 75 and name hn) 1.8 0.3 0.5 
! assign (resid 4 and name o) (resid 75 and name n) 2.8 0.4 0.5 
               
!6               
               
assign (resid 6 and name o) (resid 74 and name hn) 1.8 0.3 0.5  
assign (resid 6 and name o) (resid 74 and name n) 2.8 0.4 0.5  
               
!6               
               
assign (resid 74 and name o) (resid 6 and name hn) 1.8 0.3 0.5  
assign (resid 74 and name o) (resid 6 and name n) 2.8 0.4 0.5  
               
!8               
               
assign (resid 8 and name o) (resid 72 and name hn) 1.8 0.3 0.5  
assign (resid 8 and name o) (resid 72 and name n) 2.8 0.4 0.5  
               
assign (resid 72 and name o) (resid 8 and name hn) 1.8 0.3 0.5  
assign (resid 72 and name o) (resid 8 and name n) 2.8 0.4 0.5  
               
assign (resid 10 and name o) (resid 70 and name hn) 1.8 0.3 0.5  
assign (resid 10 and name o) (resid 70 and name n) 2.8 0.4 0.5  
               
assign (resid 70 and name o) (resid 10 and name hn) 1.8 0.3 0.5  
assign (resid 70 and name o) (resid 10 and name n) 2.8 0.4 0.5  
               
!5               
               
assign (resid 42 and name o) (resid 5 and name hn) 1.8 0.3 0.5  
assign (resid 42 and name o) (resid 5 and name n) 2.8 0.4 0.5  
               
assign (resid 5 and name o) (resid 42 and name hn) 1.8 0.3 0.5  
assign (resid 5 and name o) (resid 42 and name n) 2.8 0.4 0.5  
               
!7               
               
assign (resid 40 and name o) (resid 7 and name hn) 1.8 0.3 0.5  
assign (resid 40 and name o) (resid 7 and name n) 2.8 0.4 0.5  
               
assign (resid 7 and name o) (resid 40 and name hn) 1.8 0.3 0.5  
assign (resid 7 and name o) (resid 40 and name n) 2.8 0.4 0.5  
               
!9               
               
assign (resid 38 and name o) (resid 9 and name hn) 1.8 0.3 0.5  
assign (resid 38 and name o) (resid 9 and name n) 2.8 0.4 0.5  
               
assign (resid 9 and name o) (resid 38 and name hn) 1.8 0.3 0.5  
assign (resid 9 and name o) (resid 38 and name n) 2.8 0.4 0.5  
               
!48               
               
assign (resid 48 and name o) (resid 84 and name hn) 1.8 0.3 0.5  
assign (resid 48 and name o) (resid 84 and name n) 2.8 0.4 0.5  
               
assign (resid 84 and name o) (resid 48 and name hn) 1.8 0.3 0.5  
               
!83               
               
assign (resid 86 and name o) (resid 46 and name hn) 1.8 0.3 0.5  
assign (resid 86 and name o) (resid 46 and name n) 2.8 0.4 0.5  
               
assign (resid 46 and name o) (resid 86 and name hn) 1.8 0.3 0.5  
assign (resid 46 and name o) (resid 86 and name n) 2.8 0.4 0.5  
               
assign (resid 78 and name o) (resid 85 and name hn) 1.8 0.3 0.5  
assign (resid 78 and name o) (resid 85 and name n) 2.8 0.4 0.5  
               
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT1      MET   1   0.398  19.952  -0.128
    2   2H    MET   1           HT3      MET   1   0.742  21.540   0.358
    3   3H    MET   1           HT2      MET   1   0.801  21.126  -1.288
    4    HA   MET   1           HA       MET   1   2.693  19.719  -0.941
    5   1HB   MET   1           HB2      MET   1   2.723  22.437  -0.895
    6   2HB   MET   1           HB1      MET   1   3.520  22.089   0.640
    7   1HG   MET   1           HG2      MET   1   5.365  21.984  -0.731
    8   2HG   MET   1           HG1      MET   1   4.819  20.315  -0.896
    9   1HE   MET   1           HE1      MET   1   6.293  20.243  -2.748
   10   2HE   MET   1           HE3      MET   1   4.929  19.362  -3.451
   11   3HE   MET   1           HE2      MET   1   5.806  20.549  -4.414
   12    H    SER   2           HN       SER   2   1.092  18.626   1.021
   13    HA   SER   2           HA       SER   2   3.055  18.071   3.108
   14   1HB   SER   2           HB2      SER   2   0.637  18.771   4.511
   15   2HB   SER   2           HB1      SER   2   2.266  19.400   4.743
   16    HG   SER   2           HG       SER   2   1.076  21.119   4.094
   17    H    SER   3           HN       SER   3  -0.460  17.865   2.437
   18    HA   SER   3           HA       SER   3  -1.084  15.496   3.722
   19   1HB   SER   3           HB2      SER   3  -1.977  16.185   0.911
   20   2HB   SER   3           HB1      SER   3  -2.818  15.140   2.053
   21    HG   SER   3           HG       SER   3  -3.553  16.846   3.056
   22    H    LEU   4           HN       LEU   4   0.174  13.671   3.748
   23    HA   LEU   4           HA       LEU   4   1.013  12.599   1.103
   24   1HB   LEU   4           HB2      LEU   4   2.995  11.632   2.539
   25   2HB   LEU   4           HB1      LEU   4   3.089  13.272   1.905
   26    HG   LEU   4           HG       LEU   4   2.031  14.017   4.122
   27   1HD1  LEU   4          HD11      LEU   4   1.999  11.174   4.464
   28   2HD1  LEU   4          HD13      LEU   4   3.080  11.867   5.673
   29   3HD1  LEU   4          HD12      LEU   4   1.407  12.413   5.570
   30   1HD2  LEU   4          HD23      LEU   4   4.474  14.214   3.490
   31   2HD2  LEU   4          HD22      LEU   4   4.180  14.091   5.225
   32   3HD2  LEU   4          HD21      LEU   4   4.746  12.684   4.325
   33    H    VAL   5           HN       VAL   5   1.216  10.294   1.014
   34    HA   VAL   5           HA       VAL   5  -0.408   8.902   3.105
   35    HB   VAL   5           HB       VAL   5  -1.446   7.683   1.430
   36   1HG1  VAL   5          HG11      VAL   5  -1.431  10.383   1.165
   37   2HG1  VAL   5          HG13      VAL   5  -0.941   9.879  -0.452
   38   3HG1  VAL   5          HG12      VAL   5  -2.463   9.302   0.228
   39   1HG2  VAL   5          HG23      VAL   5   1.155   7.921   0.095
   40   2HG2  VAL   5          HG22      VAL   5  -0.035   6.626  -0.009
   41   3HG2  VAL   5          HG21      VAL   5  -0.205   8.062  -1.018
   42    H    TYR   6           HN       TYR   6   0.261   6.313   1.812
   43    HA   TYR   6           HA       TYR   6   2.990   5.807   1.586
   44   1HB   TYR   6           HB2      TYR   6   3.870   6.079   3.644
   45   2HB   TYR   6           HB1      TYR   6   2.303   6.608   4.238
   46    HD1  TYR   6           HD1      TYR   6   0.608   4.780   4.921
   47    HD2  TYR   6           HD2      TYR   6   4.799   4.044   4.366
   48    HE1  TYR   6           HE1      TYR   6   0.416   2.712   6.263
   49    HE2  TYR   6           HE2      TYR   6   4.612   1.974   5.711
   50    HH   TYR   6           HH       TYR   6   3.291   0.724   6.986
   51    H    ILE   7           HN       ILE   7   3.326   3.679   1.136
   52    HA   ILE   7           HA       ILE   7   1.198   1.728   1.876
   53    HB   ILE   7           HB       ILE   7   1.219   0.841  -0.420
   54   1HG1  ILE   7          HG12      ILE   7   2.998   3.195  -1.120
   55   2HG1  ILE   7          HG11      ILE   7   3.629   1.576  -0.818
   56   1HG2  ILE   7          HG21      ILE   7   0.532   3.672   0.152
   57   2HG2  ILE   7          HG23      ILE   7   0.593   3.227  -1.552
   58   3HG2  ILE   7          HG22      ILE   7  -0.491   2.371  -0.458
   59   1HD1  ILE   7          HD13      ILE   7   1.529   1.142  -2.591
   60   2HD1  ILE   7          HD12      ILE   7   2.283   2.621  -3.185
   61   3HD1  ILE   7          HD11      ILE   7   3.244   1.154  -3.001
   62    H    ALA   8           HN       ALA   8   2.097  -0.327   2.409
   63    HA   ALA   8           HA       ALA   8   5.012  -0.609   1.796
   64   1HB   ALA   8           HB1      ALA   8   4.372   0.153   4.217
   65   2HB   ALA   8           HB3      ALA   8   3.935  -1.541   4.430
   66   3HB   ALA   8           HB2      ALA   8   5.585  -1.107   3.991
   67    H    PHE   9           HN       PHE   9   5.779  -2.874   2.079
   68    HA   PHE   9           HA       PHE   9   3.765  -5.001   2.061
   69   1HB   PHE   9           HB2      PHE   9   4.809  -3.830  -0.403
   70   2HB   PHE   9           HB1      PHE   9   5.149  -5.555  -0.292
   71    HD1  PHE   9           HD1      PHE   9   3.124  -7.038   0.570
   72    HD2  PHE   9           HD2      PHE   9   2.739  -3.153  -1.216
   73    HE1  PHE   9           HE1      PHE   9   0.764  -7.534   0.004
   74    HE2  PHE   9           HE2      PHE   9   0.380  -3.646  -1.785
   75    HZ   PHE   9           HZ       PHE   9  -0.612  -5.838  -1.178
   76    H    GLN  10           HN       GLN  10   4.779  -7.087   2.278
   77    HA   GLN  10           HA       GLN  10   7.747  -7.009   2.553
   78   1HB   GLN  10           HB2      GLN  10   6.173  -7.044   4.754
   79   2HB   GLN  10           HB1      GLN  10   6.253  -8.774   4.426
   80   1HG   GLN  10           HG2      GLN  10   8.671  -6.961   4.632
   81   2HG   GLN  10           HG1      GLN  10   8.079  -7.987   5.938
   82   1HE2  GLN  10          HE22      GLN  10   9.746  -9.806   2.642
   83   2HE2  GLN  10          HE21      GLN  10   9.023  -8.288   2.461
   84    H    ASP  11           HN       ASP  11   7.994  -8.132   0.574
   85    HA   ASP  11           HA       ASP  11   6.504 -10.636   0.155
   86   1HB   ASP  11           HB2      ASP  11   7.191  -8.882  -1.645
   87   2HB   ASP  11           HB1      ASP  11   8.769  -9.666  -1.575
   88    H    ASN  12           HN       ASN  12   9.248 -11.473  -1.275
   89    HA   ASN  12           HA       ASN  12  10.077 -13.146   0.993
   90   1HB   ASN  12           HB2      ASN  12   9.825 -14.122  -1.273
   91   2HB   ASN  12           HB1      ASN  12  11.108 -13.061  -1.856
   92   1HD2  ASN  12          HD22      ASN  12  12.405 -15.684   1.019
   93   2HD2  ASN  12          HD21      ASN  12  11.035 -14.726   1.314
   94    H    ASP  13           HN       ASP  13  12.713 -12.524  -1.034
   95    HA   ASP  13           HA       ASP  13  13.743 -10.425   0.815
   96   1HB   ASP  13           HB2      ASP  13  16.011 -11.762   0.404
   97   2HB   ASP  13           HB1      ASP  13  14.908 -12.214   1.704
   98    H    ASN  14           HN       ASN  14  13.634 -11.814  -2.386
   99    HA   ASN  14           HA       ASN  14  15.534  -9.738  -3.363
  100   1HB   ASN  14           HB2      ASN  14  15.307 -12.417  -4.009
  101   2HB   ASN  14           HB1      ASN  14  14.473 -11.622  -5.345
  102   1HD2  ASN  14          HD22      ASN  14  18.371 -11.706  -5.602
  103   2HD2  ASN  14          HD21      ASN  14  17.363 -12.869  -4.886
  104    H    ALA  15           HN       ALA  15  12.367 -11.149  -4.276
  105    HA   ALA  15           HA       ALA  15  11.564  -9.351  -6.215
  106   1HB   ALA  15           HB2      ALA  15  10.050 -10.753  -4.036
  107   2HB   ALA  15           HB1      ALA  15   9.207  -9.607  -5.079
  108   3HB   ALA  15           HB3      ALA  15   9.992 -11.023  -5.778
  109    H    ARG  16           HN       ARG  16  11.814  -8.762  -2.776
  110    HA   ARG  16           HA       ARG  16  10.344  -6.306  -2.711
  111   1HB   ARG  16           HB2      ARG  16  12.708  -7.118  -1.004
  112   2HB   ARG  16           HB1      ARG  16  11.481  -5.918  -0.597
  113   1HG   ARG  16           HG2      ARG  16   9.757  -7.609  -0.509
  114   2HG   ARG  16           HG1      ARG  16  10.860  -8.832  -1.141
  115   1HD   ARG  16           HD2      ARG  16  10.949  -7.470   1.558
  116   2HD   ARG  16           HD1      ARG  16  10.786  -9.193   1.217
  117    HE   ARG  16           HE       ARG  16  13.217  -8.539   0.075
  118   1HH1  ARG  16          HH21      ARG  16  11.731  -8.138   3.167
  119   2HH1  ARG  16          HH22      ARG  16  13.227  -8.214   4.037
  120   1HH2  ARG  16          HH11      ARG  16  15.170  -8.636   1.199
  121   2HH2  ARG  16          HH12      ARG  16  15.171  -8.495   2.926
  122    H    TYR  17           HN       TYR  17  13.906  -6.722  -2.615
  123    HA   TYR  17           HA       TYR  17  14.630  -4.074  -3.071
  124   1HB   TYR  17           HB2      TYR  17  15.886  -6.695  -3.539
  125   2HB   TYR  17           HB1      TYR  17  16.494  -5.414  -4.589
  126    HD1  TYR  17           HD2      TYR  17  15.103  -4.900  -1.192
  127    HD2  TYR  17           HD1      TYR  17  18.665  -5.114  -3.585
  128    HE1  TYR  17           HE2      TYR  17  16.425  -3.984   0.695
  129    HE2  TYR  17           HE1      TYR  17  19.986  -4.196  -1.697
  130    HH   TYR  17           HH       TYR  17  19.954  -3.679   0.489
  131    H    VAL  18           HN       VAL  18  13.540  -6.465  -5.449
  132    HA   VAL  18           HA       VAL  18  14.136  -5.056  -7.822
  133    HB   VAL  18           HB       VAL  18  11.628  -6.673  -7.269
  134   1HG1  VAL  18          HG12      VAL  18  12.854  -5.454  -9.661
  135   2HG1  VAL  18          HG11      VAL  18  12.406  -7.149  -9.854
  136   3HG1  VAL  18          HG13      VAL  18  11.188  -5.963  -9.386
  137   1HG2  VAL  18          HG23      VAL  18  14.409  -7.431  -7.291
  138   2HG2  VAL  18          HG22      VAL  18  12.993  -8.450  -7.031
  139   3HG2  VAL  18          HG21      VAL  18  13.590  -8.171  -8.667
  140    H    VAL  19           HN       VAL  19  11.022  -4.996  -6.031
  141    HA   VAL  19           HA       VAL  19   9.881  -2.850  -7.492
  142    HB   VAL  19           HB       VAL  19   9.502  -3.609  -4.577
  143   1HG1  VAL  19          HG12      VAL  19   8.049  -1.699  -6.408
  144   2HG1  VAL  19          HG11      VAL  19   7.234  -2.448  -5.035
  145   3HG1  VAL  19          HG13      VAL  19   8.638  -1.414  -4.771
  146   1HG2  VAL  19          HG22      VAL  19   8.929  -5.092  -6.805
  147   2HG2  VAL  19          HG21      VAL  19   8.023  -5.192  -5.296
  148   3HG2  VAL  19          HG23      VAL  19   7.432  -4.180  -6.613
  149    H    GLU  20           HN       GLU  20  12.384  -2.895  -5.097
  150    HA   GLU  20           HA       GLU  20  12.187  -0.137  -4.270
  151   1HB   GLU  20           HB2      GLU  20  13.472  -1.995  -3.084
  152   2HB   GLU  20           HB1      GLU  20  14.707  -1.815  -4.331
  153   1HG   GLU  20           HG2      GLU  20  15.340   0.289  -3.600
  154   2HG   GLU  20           HG1      GLU  20  13.755   0.642  -2.911
  155    H    ALA  21           HN       ALA  21  13.939  -1.820  -6.855
  156    HA   ALA  21           HA       ALA  21  15.414   0.504  -7.725
  157   1HB   ALA  21           HB3      ALA  21  14.746  -2.171  -8.924
  158   2HB   ALA  21           HB2      ALA  21  15.427  -0.910  -9.952
  159   3HB   ALA  21           HB1      ALA  21  16.327  -1.485  -8.548
  160    H    ILE  22           HN       ILE  22  12.207  -0.769  -8.364
  161    HA   ILE  22           HA       ILE  22  11.665   0.890 -10.670
  162    HB   ILE  22           HB       ILE  22   9.859  -0.528  -8.696
  163   1HG1  ILE  22          HG12      ILE  22  11.272  -1.907 -10.235
  164   2HG1  ILE  22          HG11      ILE  22   9.545  -2.095 -10.540
  165   1HG2  ILE  22          HG21      ILE  22   9.162   1.611 -10.405
  166   2HG2  ILE  22          HG23      ILE  22   8.610   0.146 -11.216
  167   3HG2  ILE  22          HG22      ILE  22   8.063   0.506  -9.579
  168   1HD1  ILE  22          HD12      ILE  22  10.087  -0.005 -12.185
  169   2HD1  ILE  22          HD11      ILE  22  11.637  -0.843 -12.230
  170   3HD1  ILE  22          HD13      ILE  22  10.164  -1.688 -12.704
  171    H    ILE  23           HN       ILE  23  10.582   1.186  -7.251
  172    HA   ILE  23           HA       ILE  23   9.387   3.744  -7.572
  173    HB   ILE  23           HB       ILE  23   9.891   3.961  -5.053
  174   1HG1  ILE  23          HG12      ILE  23  10.416   1.084  -4.890
  175   2HG1  ILE  23          HG11      ILE  23  11.737   1.974  -5.644
  176   1HG2  ILE  23          HG21      ILE  23   7.981   2.536  -6.491
  177   2HG2  ILE  23          HG23      ILE  23   8.543   1.379  -5.284
  178   3HG2  ILE  23          HG22      ILE  23   7.895   2.939  -4.776
  179   1HD1  ILE  23          HD11      ILE  23  11.520   3.625  -3.682
  180   2HD1  ILE  23          HD13      ILE  23  10.541   2.382  -2.903
  181   3HD1  ILE  23          HD12      ILE  23  12.221   2.047  -3.322
  182    H    GLN  24           HN       GLN  24  12.749   2.828  -6.940
  183    HA   GLN  24           HA       GLN  24  13.644   5.529  -6.420
  184   1HB   GLN  24           HB2      GLN  24  14.808   2.918  -6.508
  185   2HB   GLN  24           HB1      GLN  24  15.742   3.960  -7.583
  186   1HG   GLN  24           HG2      GLN  24  16.542   5.221  -5.868
  187   2HG   GLN  24           HG1      GLN  24  15.000   5.204  -5.012
  188   1HE2  GLN  24          HE22      GLN  24  17.305   3.176  -2.944
  189   2HE2  GLN  24          HE21      GLN  24  17.143   4.809  -3.378
  190    H    ASP  25           HN       ASP  25  13.294   3.534  -9.326
  191    HA   ASP  25           HA       ASP  25  14.696   5.027 -11.217
  192   1HB   ASP  25           HB2      ASP  25  12.751   3.041 -11.325
  193   2HB   ASP  25           HB1      ASP  25  11.982   4.405 -12.138
  194    H    ASN  26           HN       ASN  26  11.497   5.690  -9.811
  195    HA   ASN  26           HA       ASN  26  11.228   8.210 -11.278
  196   1HB   ASN  26           HB2      ASN  26   9.648   7.421  -8.829
  197   2HB   ASN  26           HB1      ASN  26   9.144   8.435 -10.180
  198   1HD2  ASN  26          HD22      ASN  26   8.866   4.376 -10.490
  199   2HD2  ASN  26          HD21      ASN  26   9.647   5.082  -9.159
  200    HA   PRO  27           HA       PRO  27  13.505  10.326  -8.170
  201   1HB   PRO  27           HB2      PRO  27  12.935  12.894  -9.327
  202   2HB   PRO  27           HB1      PRO  27  14.422  11.946  -9.467
  203   1HG   PRO  27           HG2      PRO  27  12.429  12.408 -11.495
  204   2HG   PRO  27           HG1      PRO  27  13.921  11.468 -11.631
  205   1HD   PRO  27           HD2      PRO  27  11.224  10.478 -11.509
  206   2HD   PRO  27           HD1      PRO  27  12.724   9.541 -11.629
  207    H    HIS  28           HN       HIS  28  10.872   9.664  -7.406
  208    HA   HIS  28           HA       HIS  28  10.192  12.044  -5.789
  209   1HB   HIS  28           HB2      HIS  28   8.839  11.795  -8.067
  210   2HB   HIS  28           HB1      HIS  28   7.930  10.619  -7.120
  211    HD1  HIS  28           HD1      HIS  28   6.139  12.786  -7.664
  212    HD2  HIS  28           HD2      HIS  28   8.982  13.228  -4.647
  213    HE1  HIS  28           HE1      HIS  28   5.321  14.667  -6.179
  214    H    ALA  29           HN       ALA  29   9.559   8.631  -6.559
  215    HA   ALA  29           HA       ALA  29   8.026   7.816  -4.402
  216   1HB   ALA  29           HB3      ALA  29   9.095   6.396  -6.282
  217   2HB   ALA  29           HB2      ALA  29  10.477   6.248  -5.197
  218   3HB   ALA  29           HB1      ALA  29   8.898   5.640  -4.701
  219    H    VAL  30           HN       VAL  30   8.359   7.463  -2.213
  220    HA   VAL  30           HA       VAL  30  10.911   8.531  -1.110
  221    HB   VAL  30           HB       VAL  30   8.463   7.862   0.512
  222   1HG1  VAL  30          HG11      VAL  30  10.960   9.458   0.804
  223   2HG1  VAL  30          HG13      VAL  30   9.506  10.110   1.557
  224   3HG1  VAL  30          HG12      VAL  30  10.087   8.507   2.005
  225   1HG2  VAL  30          HG21      VAL  30   8.731   9.896  -1.576
  226   2HG2  VAL  30          HG23      VAL  30   7.291   9.370  -0.704
  227   3HG2  VAL  30          HG22      VAL  30   8.349  10.593  -0.001
  228    H    VAL  31           HN       VAL  31  11.423   7.364   1.127
  229    HA   VAL  31           HA       VAL  31  10.993   4.432   0.890
  230    HB   VAL  31           HB       VAL  31  13.753   5.451   1.505
  231   1HG1  VAL  31          HG11      VAL  31  13.092   3.057   1.843
  232   2HG1  VAL  31          HG13      VAL  31  12.735   2.952   0.119
  233   3HG1  VAL  31          HG12      VAL  31  14.386   3.256   0.660
  234   1HG2  VAL  31          HG21      VAL  31  12.485   5.138  -1.227
  235   2HG2  VAL  31          HG23      VAL  31  13.329   6.547  -0.584
  236   3HG2  VAL  31          HG22      VAL  31  14.230   5.083  -0.979
  237    H    GLN  32           HN       GLN  32  11.348   3.319   2.933
  238    HA   GLN  32           HA       GLN  32  11.730   5.089   5.295
  239   1HB   GLN  32           HB2      GLN  32   9.211   4.209   4.470
  240   2HB   GLN  32           HB1      GLN  32   9.660   3.092   5.761
  241   1HG   GLN  32           HG2      GLN  32  10.133   6.022   6.173
  242   2HG   GLN  32           HG1      GLN  32   8.490   5.401   6.332
  243   1HE2  GLN  32          HE22      GLN  32  10.390   5.128   9.620
  244   2HE2  GLN  32          HE21      GLN  32  10.189   6.420   8.537
  245    H    HIS  33           HN       HIS  33  10.729   1.682   4.839
  246    HA   HIS  33           HA       HIS  33  12.930   0.895   6.668
  247   1HB   HIS  33           HB2      HIS  33  10.280  -0.023   6.252
  248   2HB   HIS  33           HB1      HIS  33  11.351  -1.328   5.740
  249    HD1  HIS  33           HD1      HIS  33  12.587  -2.604   7.546
  250    HD2  HIS  33           HD2      HIS  33  10.731   0.826   9.017
  251    HE1  HIS  33           HE1      HIS  33  12.798  -2.702  10.069
  252    H    HIS  34           HN       HIS  34  13.900  -1.387   5.978
  253    HA   HIS  34           HA       HIS  34  14.273  -1.622   3.067
  254   1HB   HIS  34           HB2      HIS  34  16.223  -0.356   4.848
  255   2HB   HIS  34           HB1      HIS  34  16.899  -1.708   3.942
  256    HD1  HIS  34           HD1      HIS  34  16.424   1.792   3.622
  257    HD2  HIS  34           HD2      HIS  34  15.968  -1.413   0.997
  258    HE1  HIS  34           HE1      HIS  34  16.480   2.767   1.285
  259    HA   PRO  35           HA       PRO  35  16.438  -5.317   5.142
  260   1HB   PRO  35           HB2      PRO  35  16.097  -5.208   8.000
  261   2HB   PRO  35           HB1      PRO  35  17.608  -5.245   7.081
  262   1HG   PRO  35           HG2      PRO  35  16.450  -3.011   8.481
  263   2HG   PRO  35           HG1      PRO  35  17.963  -3.056   7.567
  264   1HD   PRO  35           HD2      PRO  35  15.517  -1.756   6.826
  265   2HD   PRO  35           HD1      PRO  35  17.019  -1.860   5.892
  266    H    ALA  36           HN       ALA  36  14.235  -4.609   7.863
  267    HA   ALA  36           HA       ALA  36  12.758  -6.957   7.778
  268   1HB   ALA  36           HB1      ALA  36  12.112  -4.168   8.635
  269   2HB   ALA  36           HB3      ALA  36  10.787  -5.327   8.526
  270   3HB   ALA  36           HB2      ALA  36  12.158  -5.652   9.587
  271    H    MET  37           HN       MET  37  10.789  -4.223   6.828
  272    HA   MET  37           HA       MET  37  10.083  -5.715   4.333
  273   1HB   MET  37           HB2      MET  37   7.837  -4.860   4.551
  274   2HB   MET  37           HB1      MET  37   8.293  -5.537   6.115
  275   1HG   MET  37           HG2      MET  37   9.191  -2.921   6.283
  276   2HG   MET  37           HG1      MET  37   7.673  -2.765   5.398
  277   1HE   MET  37           HE2      MET  37   6.078  -4.783   5.911
  278   2HE   MET  37           HE1      MET  37   5.462  -5.141   7.522
  279   3HE   MET  37           HE3      MET  37   5.085  -3.595   6.750
  280    H    ILE  38           HN       ILE  38   8.631  -3.760   3.049
  281    HA   ILE  38           HA       ILE  38  10.562  -1.498   2.752
  282    HB   ILE  38           HB       ILE  38  10.302  -1.621   0.333
  283   1HG1  ILE  38          HG12      ILE  38   8.182  -3.594   1.102
  284   2HG1  ILE  38          HG11      ILE  38   8.142  -2.343  -0.134
  285   1HG2  ILE  38          HG22      ILE  38  10.887  -4.328   1.581
  286   2HG2  ILE  38          HG21      ILE  38  11.348  -3.850  -0.053
  287   3HG2  ILE  38          HG23      ILE  38  12.048  -3.023   1.339
  288   1HD1  ILE  38          HD12      ILE  38  10.096  -3.926  -1.144
  289   2HD1  ILE  38          HD11      ILE  38   9.133  -5.137  -0.299
  290   3HD1  ILE  38          HD13      ILE  38   8.390  -4.131  -1.543
  291    H    ARG  39           HN       ARG  39   9.327   0.111   3.683
  292    HA   ARG  39           HA       ARG  39   6.444   0.280   3.109
  293   1HB   ARG  39           HB2      ARG  39   8.078   2.335   4.598
  294   2HB   ARG  39           HB1      ARG  39   6.364   1.963   4.775
  295   1HG   ARG  39           HG2      ARG  39   8.206  -0.304   5.280
  296   2HG   ARG  39           HG1      ARG  39   8.287   1.014   6.446
  297   1HD   ARG  39           HD2      ARG  39   5.551   0.254   5.693
  298   2HD   ARG  39           HD1      ARG  39   6.442  -1.028   6.510
  299    HE   ARG  39           HE       ARG  39   5.299   1.241   7.776
  300   1HH1  ARG  39          HH21      ARG  39   8.316  -0.457   7.666
  301   2HH1  ARG  39          HH22      ARG  39   8.899   0.246   9.135
  302   1HH2  ARG  39          HH11      ARG  39   6.052   2.134   9.692
  303   2HH2  ARG  39          HH12      ARG  39   7.620   1.699  10.283
  304    H    ILE  40           HN       ILE  40   5.590   2.528   2.460
  305    HA   ILE  40           HA       ILE  40   7.460   3.960   0.668
  306    HB   ILE  40           HB       ILE  40   4.766   2.918  -0.236
  307   1HG1  ILE  40          HG12      ILE  40   7.597   2.124  -0.990
  308   2HG1  ILE  40          HG11      ILE  40   6.431   1.124  -0.123
  309   1HG2  ILE  40          HG21      ILE  40   6.862   4.687  -1.492
  310   2HG2  ILE  40          HG23      ILE  40   5.746   3.750  -2.485
  311   3HG2  ILE  40          HG22      ILE  40   5.125   4.963  -1.366
  312   1HD1  ILE  40          HD12      ILE  40   4.954   1.747  -2.300
  313   2HD1  ILE  40          HD11      ILE  40   6.566   1.798  -3.014
  314   3HD1  ILE  40          HD13      ILE  40   5.997   0.326  -2.225
  315    H    GLU  41           HN       GLU  41   6.460   6.064  -0.102
  316    HA   GLU  41           HA       GLU  41   4.251   7.039   1.636
  317   1HB   GLU  41           HB2      GLU  41   7.014   7.613   2.083
  318   2HB   GLU  41           HB1      GLU  41   6.227   9.090   1.522
  319   1HG   GLU  41           HG2      GLU  41   4.439   7.851   3.345
  320   2HG   GLU  41           HG1      GLU  41   6.034   7.829   4.099
  321    H    ALA  42           HN       ALA  42   3.114   8.758   0.763
  322    HA   ALA  42           HA       ALA  42   3.953   9.672  -1.958
  323   1HB   ALA  42           HB2      ALA  42   1.901   7.980  -1.654
  324   2HB   ALA  42           HB1      ALA  42   1.046   9.478  -1.284
  325   3HB   ALA  42           HB3      ALA  42   1.849   9.283  -2.841
  326    H    GLU  43           HN       GLU  43   2.104  11.646  -2.393
  327    HA   GLU  43           HA       GLU  43   2.118  13.341   0.061
  328   1HB   GLU  43           HB2      GLU  43   3.301  14.038  -2.627
  329   2HB   GLU  43           HB1      GLU  43   2.895  15.256  -1.417
  330   1HG   GLU  43           HG2      GLU  43   4.300  13.418   0.074
  331   2HG   GLU  43           HG1      GLU  43   5.136  13.350  -1.478
  332    H    LYS  44           HN       LYS  44  -0.296  12.447  -0.442
  333    HA   LYS  44           HA       LYS  44  -1.866  14.662  -1.206
  334   1HB   LYS  44           HB2      LYS  44  -0.719  13.795  -3.467
  335   2HB   LYS  44           HB1      LYS  44  -2.076  12.676  -3.422
  336   1HG   LYS  44           HG2      LYS  44  -3.406  14.934  -2.856
  337   2HG   LYS  44           HG1      LYS  44  -2.074  15.634  -3.777
  338   1HD   LYS  44           HD2      LYS  44  -2.568  13.801  -5.528
  339   2HD   LYS  44           HD1      LYS  44  -4.101  13.588  -4.680
  340   1HE   LYS  44           HE2      LYS  44  -4.127  16.265  -4.906
  341   2HE   LYS  44           HE1      LYS  44  -3.146  15.884  -6.321
  342   1HZ   LYS  44           HZ3      LYS  44  -4.964  14.167  -6.803
  343   2HZ   LYS  44           HZ2      LYS  44  -5.912  15.059  -5.712
  344   3HZ   LYS  44           HZ1      LYS  44  -5.304  15.799  -7.115
  345    H    ARG  45           HN       ARG  45  -3.788  12.804  -2.731
  346    HA   ARG  45           HA       ARG  45  -4.668  11.217  -0.363
  347   1HB   ARG  45           HB2      ARG  45  -6.476  12.647  -2.326
  348   2HB   ARG  45           HB1      ARG  45  -6.946  11.860  -0.819
  349   1HG   ARG  45           HG2      ARG  45  -6.516  13.742   0.335
  350   2HG   ARG  45           HG1      ARG  45  -4.857  13.750  -0.265
  351   1HD   ARG  45           HD2      ARG  45  -6.463  14.562  -2.441
  352   2HD   ARG  45           HD1      ARG  45  -7.067  15.446  -1.041
  353    HE   ARG  45           HE       ARG  45  -4.317  15.725  -0.859
  354   1HH1  ARG  45          HH21      ARG  45  -6.724  16.257  -3.279
  355   2HH1  ARG  45          HH22      ARG  45  -5.874  17.573  -4.017
  356   1HH2  ARG  45          HH11      ARG  45  -3.201  17.441  -1.816
  357   2HH2  ARG  45          HH12      ARG  45  -3.885  18.242  -3.191
  358    H    LEU  46           HN       LEU  46  -6.243   9.480  -0.997
  359    HA   LEU  46           HA       LEU  46  -5.674   8.404  -3.729
  360   1HB   LEU  46           HB2      LEU  46  -6.105   6.429  -1.561
  361   2HB   LEU  46           HB1      LEU  46  -4.967   6.388  -2.906
  362    HG   LEU  46           HG       LEU  46  -4.665   8.015  -0.361
  363   1HD1  LEU  46          HD13      LEU  46  -4.187   5.358  -0.695
  364   2HD1  LEU  46          HD12      LEU  46  -2.639   6.033  -1.205
  365   3HD1  LEU  46          HD11      LEU  46  -3.268   6.387   0.404
  366   1HD2  LEU  46          HD23      LEU  46  -3.582   8.414  -2.971
  367   2HD2  LEU  46          HD22      LEU  46  -3.196   9.286  -1.487
  368   3HD2  LEU  46          HD21      LEU  46  -2.282   7.843  -1.925
  369    H    GLU  47           HN       GLU  47  -7.399   6.936  -4.518
  370    HA   GLU  47           HA       GLU  47  -9.921   6.933  -2.979
  371   1HB   GLU  47           HB2      GLU  47  -9.409   8.660  -5.322
  372   2HB   GLU  47           HB1      GLU  47 -10.904   7.726  -5.401
  373   1HG   GLU  47           HG2      GLU  47 -11.378   8.546  -3.026
  374   2HG   GLU  47           HG1      GLU  47 -10.055   9.689  -3.263
  375    H    ILE  48           HN       ILE  48 -11.195   5.173  -3.495
  376    HA   ILE  48           HA       ILE  48 -10.519   3.609  -5.936
  377    HB   ILE  48           HB       ILE  48 -10.983   2.184  -3.327
  378   1HG1  ILE  48          HG12      ILE  48  -8.273   2.068  -3.613
  379   2HG1  ILE  48          HG11      ILE  48  -8.584   3.719  -4.145
  380   1HG2  ILE  48          HG23      ILE  48 -10.653   1.385  -5.969
  381   2HG2  ILE  48          HG22      ILE  48  -9.060   1.127  -5.259
  382   3HG2  ILE  48          HG21      ILE  48 -10.477   0.353  -4.551
  383   1HD1  ILE  48          HD11      ILE  48 -10.160   3.663  -1.955
  384   2HD1  ILE  48          HD13      ILE  48  -8.934   2.497  -1.458
  385   3HD1  ILE  48          HD12      ILE  48  -8.463   4.139  -1.894
  386    H    ARG  49           HN       ARG  49 -12.293   2.321  -6.695
  387    HA   ARG  49           HA       ARG  49 -14.915   3.244  -5.652
  388   1HB   ARG  49           HB2      ARG  49 -14.189   1.776  -8.203
  389   2HB   ARG  49           HB1      ARG  49 -15.814   2.309  -7.773
  390   1HG   ARG  49           HG2      ARG  49 -13.760   4.416  -7.580
  391   2HG   ARG  49           HG1      ARG  49 -14.024   3.808  -9.215
  392   1HD   ARG  49           HD2      ARG  49 -16.591   4.046  -8.431
  393   2HD   ARG  49           HD1      ARG  49 -15.875   5.307  -7.429
  394    HE   ARG  49           HE       ARG  49 -14.830   5.780  -9.959
  395   1HH1  ARG  49          HH21      ARG  49 -17.966   5.386  -8.568
  396   2HH1  ARG  49          HH22      ARG  49 -18.744   6.435  -9.705
  397   1HH2  ARG  49          HH11      ARG  49 -15.836   7.148 -11.451
  398   2HH2  ARG  49          HH12      ARG  49 -17.541   7.431 -11.335
  399    H    ARG  50           HN       ARG  50 -16.694   1.426  -5.943
  400    HA   ARG  50           HA       ARG  50 -16.068  -0.646  -4.049
  401   1HB   ARG  50           HB2      ARG  50 -18.312  -1.444  -4.436
  402   2HB   ARG  50           HB1      ARG  50 -18.368   0.319  -4.480
  403   1HG   ARG  50           HG2      ARG  50 -17.942  -0.034  -7.061
  404   2HG   ARG  50           HG1      ARG  50 -18.597  -1.641  -6.739
  405   1HD   ARG  50           HD2      ARG  50 -20.502  -0.358  -7.297
  406   2HD   ARG  50           HD1      ARG  50 -20.520  -0.400  -5.534
  407    HE   ARG  50           HE       ARG  50 -19.085   1.893  -6.115
  408   1HH1  ARG  50          HH21      ARG  50 -22.146   0.568  -7.014
  409   2HH1  ARG  50          HH22      ARG  50 -22.900   2.113  -7.219
  410   1HH2  ARG  50          HH11      ARG  50 -20.062   3.914  -6.371
  411   2HH2  ARG  50          HH12      ARG  50 -21.723   4.004  -6.855
  412    H    GLU  51           HN       GLU  51 -15.852  -0.426  -7.517
  413    HA   GLU  51           HA       GLU  51 -16.002  -3.098  -8.328
  414   1HB   GLU  51           HB2      GLU  51 -14.213  -0.834  -9.203
  415   2HB   GLU  51           HB1      GLU  51 -14.106  -2.424  -9.958
  416   1HG   GLU  51           HG2      GLU  51 -16.766  -1.055  -9.652
  417   2HG   GLU  51           HG1      GLU  51 -15.707  -0.663 -11.008
  418    H    THR  52           HN       THR  52 -13.300  -1.413  -6.755
  419    HA   THR  52           HA       THR  52 -11.488  -3.646  -6.866
  420    HB   THR  52           HB       THR  52 -11.361  -1.806  -4.532
  421    HG1  THR  52           HG1      THR  52 -10.877  -0.947  -7.188
  422   1HG2  THR  52          HG22      THR  52  -9.641  -3.567  -5.658
  423   2HG2  THR  52          HG21      THR  52  -9.163  -2.093  -6.500
  424   3HG2  THR  52          HG23      THR  52  -9.114  -2.157  -4.739
  425    H    VAL  53           HN       VAL  53 -13.760  -2.517  -4.351
  426    HA   VAL  53           HA       VAL  53 -13.207  -4.526  -2.434
  427    HB   VAL  53           HB       VAL  53 -15.824  -3.144  -3.108
  428   1HG1  VAL  53          HG13      VAL  53 -15.083  -5.187  -1.068
  429   2HG1  VAL  53          HG12      VAL  53 -16.089  -3.846  -0.523
  430   3HG1  VAL  53          HG11      VAL  53 -16.639  -4.882  -1.839
  431   1HG2  VAL  53          HG22      VAL  53 -13.464  -2.555  -1.363
  432   2HG2  VAL  53          HG21      VAL  53 -14.457  -1.449  -2.313
  433   3HG2  VAL  53          HG23      VAL  53 -15.059  -2.081  -0.781
  434    H    GLU  54           HN       GLU  54 -14.801  -4.670  -5.502
  435    HA   GLU  54           HA       GLU  54 -16.198  -7.176  -5.007
  436   1HB   GLU  54           HB2      GLU  54 -17.190  -6.023  -6.767
  437   2HB   GLU  54           HB1      GLU  54 -15.653  -5.434  -7.388
  438   1HG   GLU  54           HG2      GLU  54 -15.288  -7.306  -8.649
  439   2HG   GLU  54           HG1      GLU  54 -16.034  -8.377  -7.462
  440    H    GLU  55           HN       GLU  55 -13.086  -6.187  -6.403
  441    HA   GLU  55           HA       GLU  55 -12.319  -8.821  -7.286
  442   1HB   GLU  55           HB2      GLU  55 -11.206  -6.690  -8.016
  443   2HB   GLU  55           HB1      GLU  55 -10.500  -6.559  -6.405
  444   1HG   GLU  55           HG2      GLU  55  -9.724  -9.046  -6.903
  445   2HG   GLU  55           HG1      GLU  55  -9.900  -8.527  -8.579
  446    H    ASN  56           HN       ASN  56 -11.439  -6.963  -4.353
  447    HA   ASN  56           HA       ASN  56  -9.970  -9.008  -3.066
  448   1HB   ASN  56           HB2      ASN  56 -11.030  -6.444  -2.375
  449   2HB   ASN  56           HB1      ASN  56 -11.474  -7.577  -1.098
  450   1HD2  ASN  56          HD22      ASN  56  -8.063  -8.230  -0.154
  451   2HD2  ASN  56          HD21      ASN  56  -9.608  -8.931  -0.197
  452    H    LEU  57           HN       LEU  57 -13.449  -8.470  -3.304
  453    HA   LEU  57           HA       LEU  57 -14.307 -10.283  -1.295
  454   1HB   LEU  57           HB2      LEU  57 -15.884  -8.794  -2.426
  455   2HB   LEU  57           HB1      LEU  57 -15.591  -9.612  -3.961
  456    HG   LEU  57           HG       LEU  57 -16.280 -11.759  -2.553
  457   1HD1  LEU  57          HD11      LEU  57 -17.436  -9.407  -1.056
  458   2HD1  LEU  57          HD13      LEU  57 -18.240 -10.977  -1.052
  459   3HD1  LEU  57          HD12      LEU  57 -16.606 -10.821  -0.406
  460   1HD2  LEU  57          HD22      LEU  57 -17.406 -10.617  -4.577
  461   2HD2  LEU  57          HD21      LEU  57 -18.436 -11.597  -3.534
  462   3HD2  LEU  57          HD23      LEU  57 -18.457  -9.839  -3.393
  463    H    GLY  58           HN       GLY  58 -13.907 -10.893  -4.806
  464   1HA   GLY  58           HA2      GLY  58 -14.211 -13.755  -4.493
  465   2HA   GLY  58           HA1      GLY  58 -13.621 -12.936  -5.941
  466    H    ARG  59           HN       ARG  59 -11.711 -11.655  -3.690
  467    HA   ARG  59           HA       ARG  59  -9.688 -13.849  -3.911
  468   1HB   ARG  59           HB2      ARG  59  -9.505 -11.349  -4.995
  469   2HB   ARG  59           HB1      ARG  59  -8.747 -11.088  -3.425
  470   1HG   ARG  59           HG2      ARG  59  -6.991 -12.517  -3.879
  471   2HG   ARG  59           HG1      ARG  59  -7.959 -13.533  -4.948
  472   1HD   ARG  59           HD2      ARG  59  -7.927 -11.060  -6.221
  473   2HD   ARG  59           HD1      ARG  59  -6.289 -11.224  -5.594
  474    HE   ARG  59           HE       ARG  59  -7.301 -12.567  -7.872
  475   1HH1  ARG  59          HH21      ARG  59  -5.622 -13.314  -4.934
  476   2HH1  ARG  59          HH22      ARG  59  -5.063 -14.847  -5.508
  477   1HH2  ARG  59          HH11      ARG  59  -6.554 -14.546  -8.617
  478   2HH2  ARG  59          HH12      ARG  59  -5.580 -15.540  -7.585
  479    H    ALA  60           HN       ALA  60 -11.754 -12.698  -1.757
  480    HA   ALA  60           HA       ALA  60 -10.097 -11.943   0.478
  481   1HB   ALA  60           HB1      ALA  60 -12.917 -12.366  -0.047
  482   2HB   ALA  60           HB3      ALA  60 -12.457 -13.088   1.495
  483   3HB   ALA  60           HB2      ALA  60 -12.155 -11.376   1.198
  484    H    TRP  61           HN       TRP  61 -10.457 -14.895  -1.090
  485    HA   TRP  61           HA       TRP  61 -10.100 -16.515   1.356
  486   1HB   TRP  61           HB2      TRP  61 -11.517 -17.235  -0.667
  487   2HB   TRP  61           HB1      TRP  61  -9.983 -17.517  -1.490
  488    HD1  TRP  61           HD1      TRP  61 -10.412 -18.188   2.240
  489    HE1  TRP  61           HE1      TRP  61 -10.166 -20.719   2.664
  490    HE3  TRP  61           HE3      TRP  61 -10.224 -19.874  -2.576
  491    HZ2  TRP  61           HZ2      TRP  61  -9.921 -23.139   1.159
  492    HZ3  TRP  61           HZ3      TRP  61  -9.984 -22.295  -3.052
  493    HH2  TRP  61           HH2      TRP  61  -9.832 -23.928  -1.192
  494    H    ASP  62           HN       ASP  62  -8.103 -14.524   0.153
  495    HA   ASP  62           HA       ASP  62  -5.807 -16.416  -0.138
  496   1HB   ASP  62           HB2      ASP  62  -6.078 -14.983  -2.090
  497   2HB   ASP  62           HB1      ASP  62  -6.119 -13.549  -1.065
  498    H    VAL  63           HN       VAL  63  -7.263 -14.856   2.244
  499    HA   VAL  63           HA       VAL  63  -5.495 -13.064   3.453
  500    HB   VAL  63           HB       VAL  63  -6.839 -15.233   5.053
  501   1HG1  VAL  63          HG13      VAL  63  -5.375 -13.310   6.007
  502   2HG1  VAL  63          HG12      VAL  63  -6.740 -12.270   5.600
  503   3HG1  VAL  63          HG11      VAL  63  -6.951 -13.596   6.744
  504   1HG2  VAL  63          HG22      VAL  63  -8.059 -13.332   3.187
  505   2HG2  VAL  63          HG21      VAL  63  -8.783 -14.714   4.008
  506   3HG2  VAL  63          HG23      VAL  63  -8.673 -13.157   4.830
  507    H    GLN  64           HN       GLN  64  -5.411 -16.632   3.655
  508    HA   GLN  64           HA       GLN  64  -3.245 -16.921   5.413
  509   1HB   GLN  64           HB2      GLN  64  -4.415 -18.543   3.227
  510   2HB   GLN  64           HB1      GLN  64  -2.751 -18.940   3.659
  511   1HG   GLN  64           HG2      GLN  64  -4.286 -20.270   5.021
  512   2HG   GLN  64           HG1      GLN  64  -3.443 -19.107   6.046
  513   1HE2  GLN  64          HE22      GLN  64  -6.377 -17.303   6.881
  514   2HE2  GLN  64          HE21      GLN  64  -4.684 -17.362   6.978
  515    H    GLU  65           HN       GLU  65  -3.151 -16.449   1.877
  516    HA   GLU  65           HA       GLU  65  -0.272 -16.460   1.722
  517   1HB   GLU  65           HB2      GLU  65  -2.112 -16.671  -0.164
  518   2HB   GLU  65           HB1      GLU  65  -1.959 -14.914  -0.219
  519   1HG   GLU  65           HG2      GLU  65   0.134 -14.994  -1.118
  520   2HG   GLU  65           HG1      GLU  65   0.603 -16.391  -0.149
  521    H    MET  66           HN       MET  66  -2.665 -14.023   2.494
  522    HA   MET  66           HA       MET  66  -0.870 -11.762   2.145
  523   1HB   MET  66           HB2      MET  66  -3.630 -12.219   3.046
  524   2HB   MET  66           HB1      MET  66  -2.808 -10.935   3.934
  525   1HG   MET  66           HG2      MET  66  -2.032 -10.265   1.456
  526   2HG   MET  66           HG1      MET  66  -3.543 -11.076   1.047
  527   1HE   MET  66           HE1      MET  66  -5.486 -10.895   2.036
  528   2HE   MET  66           HE3      MET  66  -6.027  -9.773   3.292
  529   3HE   MET  66           HE2      MET  66  -6.186  -9.341   1.591
  530    H    LEU  67           HN       LEU  67  -1.319 -14.163   4.561
  531    HA   LEU  67           HA       LEU  67  -0.421 -12.645   6.847
  532   1HB   LEU  67           HB2      LEU  67  -1.476 -15.154   6.482
  533   2HB   LEU  67           HB1      LEU  67   0.214 -15.525   6.824
  534    HG   LEU  67           HG       LEU  67  -1.165 -15.420   8.894
  535   1HD1  LEU  67          HD13      LEU  67   1.303 -14.730   8.759
  536   2HD1  LEU  67          HD12      LEU  67   0.726 -13.064   8.803
  537   3HD1  LEU  67          HD11      LEU  67   0.399 -14.147  10.157
  538   1HD2  LEU  67          HD23      LEU  67  -2.295 -13.196   7.618
  539   2HD2  LEU  67          HD22      LEU  67  -2.613 -13.728   9.270
  540   3HD2  LEU  67          HD21      LEU  67  -1.369 -12.517   8.956
  541    H    VAL  68           HN       VAL  68   1.293 -15.093   4.854
  542    HA   VAL  68           HA       VAL  68   3.846 -14.831   5.927
  543    HB   VAL  68           HB       VAL  68   3.156 -15.089   2.988
  544   1HG1  VAL  68          HG11      VAL  68   5.552 -14.490   3.564
  545   2HG1  VAL  68          HG13      VAL  68   5.639 -16.009   4.458
  546   3HG1  VAL  68          HG12      VAL  68   5.358 -16.025   2.717
  547   1HG2  VAL  68          HG23      VAL  68   2.828 -16.855   5.268
  548   2HG2  VAL  68          HG22      VAL  68   2.307 -17.090   3.600
  549   3HG2  VAL  68          HG21      VAL  68   3.936 -17.556   4.089
  550    H    ASP  69           HN       ASP  69   2.822 -13.032   2.996
  551    HA   ASP  69           HA       ASP  69   4.947 -11.062   3.466
  552   1HB   ASP  69           HB2      ASP  69   3.792  -9.944   1.429
  553   2HB   ASP  69           HB1      ASP  69   4.587 -11.494   1.166
  554    H    VAL  70           HN       VAL  70   4.513  -8.772   3.786
  555    HA   VAL  70           HA       VAL  70   2.014  -8.339   5.353
  556    HB   VAL  70           HB       VAL  70   4.437  -6.532   5.160
  557   1HG1  VAL  70          HG12      VAL  70   1.942  -6.630   6.827
  558   2HG1  VAL  70          HG11      VAL  70   3.414  -5.940   7.510
  559   3HG1  VAL  70          HG13      VAL  70   2.710  -5.244   6.051
  560   1HG2  VAL  70          HG22      VAL  70   4.680  -8.996   6.102
  561   2HG2  VAL  70          HG21      VAL  70   5.406  -7.639   6.963
  562   3HG2  VAL  70          HG23      VAL  70   3.868  -8.308   7.509
  563    H    ILE  71           HN       ILE  71   0.983  -6.123   5.078
  564    HA   ILE  71           HA       ILE  71   1.387  -4.943   2.393
  565    HB   ILE  71           HB       ILE  71  -0.282  -6.399   1.718
  566   1HG1  ILE  71          HG12      ILE  71  -2.497  -5.191   1.792
  567   2HG1  ILE  71          HG11      ILE  71  -1.761  -4.022   2.887
  568   1HG2  ILE  71          HG21      ILE  71  -1.368  -6.141   4.527
  569   2HG2  ILE  71          HG23      ILE  71  -2.241  -6.972   3.240
  570   3HG2  ILE  71          HG22      ILE  71  -0.667  -7.569   3.766
  571   1HD1  ILE  71          HD13      ILE  71   0.090  -4.129   0.865
  572   2HD1  ILE  71          HD12      ILE  71  -1.419  -4.347  -0.022
  573   3HD1  ILE  71          HD11      ILE  71  -1.185  -2.918   0.986
  574    H    THR  72           HN       THR  72   0.538  -2.827   2.220
  575    HA   THR  72           HA       THR  72  -0.931  -1.570   4.365
  576    HB   THR  72           HB       THR  72   1.632  -0.173   4.175
  577    HG1  THR  72           HG1      THR  72   2.257  -2.424   4.121
  578   1HG2  THR  72          HG23      THR  72  -0.506  -0.785   6.091
  579   2HG2  THR  72          HG22      THR  72   1.104  -0.771   6.810
  580   3HG2  THR  72          HG21      THR  72   0.507   0.652   5.957
  581    H    ILE  73           HN       ILE  73  -1.571   0.604   3.780
  582    HA   ILE  73           HA       ILE  73  -0.546   1.652   1.239
  583    HB   ILE  73           HB       ILE  73  -2.107   0.221   0.257
  584   1HG1  ILE  73          HG12      ILE  73  -2.409   2.775  -0.202
  585   2HG1  ILE  73          HG11      ILE  73  -3.644   1.659  -0.782
  586   1HG2  ILE  73          HG23      ILE  73  -3.151  -0.518   2.378
  587   2HG2  ILE  73          HG22      ILE  73  -4.072   0.984   2.436
  588   3HG2  ILE  73          HG21      ILE  73  -4.362  -0.179   1.142
  589   1HD1  ILE  73          HD12      ILE  73  -4.154   2.519   1.962
  590   2HD1  ILE  73          HD11      ILE  73  -4.077   3.881   0.846
  591   3HD1  ILE  73          HD13      ILE  73  -5.219   2.569   0.558
  592    H    GLY  74           HN       GLY  74  -1.173   3.742   0.833
  593   1HA   GLY  74           HA2      GLY  74  -1.475   5.952   1.404
  594   2HA   GLY  74           HA1      GLY  74  -3.036   5.381   1.953
  595    H    GLY  75           HN       GLY  75  -3.262   4.757   4.088
  596   1HA   GLY  75           HA2      GLY  75  -1.364   4.780   6.156
  597   2HA   GLY  75           HA1      GLY  75  -1.910   6.449   5.988
  598    H    ASN  76           HN       ASN  76  -4.618   6.140   5.435
  599    HA   ASN  76           HA       ASN  76  -5.582   4.653   7.851
  600   1HB   ASN  76           HB2      ASN  76  -5.641   7.342   7.616
  601   2HB   ASN  76           HB1      ASN  76  -7.169   6.950   6.827
  602   1HD2  ASN  76          HD22      ASN  76  -8.459   7.000  10.153
  603   2HD2  ASN  76          HD21      ASN  76  -8.347   7.872   8.701
  604    H    VAL  77           HN       VAL  77  -8.363   5.532   6.868
  605    HA   VAL  77           HA       VAL  77  -8.832   4.415   4.304
  606    HB   VAL  77           HB       VAL  77  -8.031   2.321   5.182
  607   1HG1  VAL  77          HG11      VAL  77  -8.490   3.141   7.607
  608   2HG1  VAL  77          HG13      VAL  77 -10.088   2.430   7.381
  609   3HG1  VAL  77          HG12      VAL  77  -8.648   1.417   7.267
  610   1HG2  VAL  77          HG22      VAL  77 -10.644   2.701   4.219
  611   2HG2  VAL  77          HG21      VAL  77  -9.740   1.187   4.235
  612   3HG2  VAL  77          HG23      VAL  77 -10.815   1.586   5.575
  613    H    ASP  78           HN       ASP  78 -10.467   5.965   4.149
  614    HA   ASP  78           HA       ASP  78 -12.649   5.859   6.174
  615   1HB   ASP  78           HB2      ASP  78 -13.085   7.855   4.138
  616   2HB   ASP  78           HB1      ASP  78 -12.837   8.082   5.866
  617    H    GLU  79           HN       GLU  79 -14.570   4.918   5.644
  618    HA   GLU  79           HA       GLU  79 -15.076   4.371   2.746
  619   1HB   GLU  79           HB2      GLU  79 -16.269   2.273   3.600
  620   2HB   GLU  79           HB1      GLU  79 -14.508   2.255   3.693
  621   1HG   GLU  79           HG2      GLU  79 -14.495   2.567   6.012
  622   2HG   GLU  79           HG1      GLU  79 -16.119   3.256   6.027
  623    H    ASP  80           HN       ASP  80 -17.167   4.782   2.044
  624    HA   ASP  80           HA       ASP  80 -18.934   6.119   4.027
  625   1HB   ASP  80           HB2      ASP  80 -18.644   6.211   1.049
  626   2HB   ASP  80           HB1      ASP  80 -20.219   6.587   1.749
  627    H    ASP  81           HN       ASP  81 -20.292   4.690   1.148
  628    HA   ASP  81           HA       ASP  81 -21.846   2.844   2.899
  629   1HB   ASP  81           HB2      ASP  81 -22.903   4.623   1.275
  630   2HB   ASP  81           HB1      ASP  81 -22.537   3.425   0.033
  631    H    ASP  82           HN       ASP  82 -20.586   2.862  -0.454
  632    HA   ASP  82           HA       ASP  82 -19.746   0.026  -0.012
  633   1HB   ASP  82           HB2      ASP  82 -21.819   0.734  -1.641
  634   2HB   ASP  82           HB1      ASP  82 -20.470   0.808  -2.774
  635    H    ARG  83           HN       ARG  83 -19.158   3.134  -1.534
  636    HA   ARG  83           HA       ARG  83 -16.814   2.352  -3.009
  637   1HB   ARG  83           HB2      ARG  83 -17.969   4.400  -3.576
  638   2HB   ARG  83           HB1      ARG  83 -17.740   5.038  -1.951
  639   1HG   ARG  83           HG2      ARG  83 -15.391   5.256  -2.268
  640   2HG   ARG  83           HG1      ARG  83 -15.429   4.278  -3.736
  641   1HD   ARG  83           HD2      ARG  83 -15.269   6.562  -4.453
  642   2HD   ARG  83           HD1      ARG  83 -16.932   6.057  -4.752
  643    HE   ARG  83           HE       ARG  83 -17.012   7.162  -2.208
  644   1HH1  ARG  83          HH21      ARG  83 -15.937   8.143  -5.343
  645   2HH1  ARG  83          HH22      ARG  83 -16.257   9.822  -5.067
  646   1HH2  ARG  83          HH11      ARG  83 -17.427   9.347  -1.839
  647   2HH2  ARG  83          HH12      ARG  83 -17.099  10.503  -3.086
  648    H    PHE  84           HN       PHE  84 -14.609   3.282  -2.417
  649    HA   PHE  84           HA       PHE  84 -14.156   3.389   0.521
  650   1HB   PHE  84           HB2      PHE  84 -13.717   1.097   0.180
  651   2HB   PHE  84           HB1      PHE  84 -13.014   1.375  -1.411
  652    HD1  PHE  84           HD2      PHE  84 -12.241   3.403   1.595
  653    HD2  PHE  84           HD1      PHE  84 -10.904   0.276  -1.028
  654    HE1  PHE  84           HE2      PHE  84  -9.981   3.521   2.607
  655    HE2  PHE  84           HE1      PHE  84  -8.643   0.392  -0.014
  656    HZ   PHE  84           HZ       PHE  84  -8.182   2.015   1.804
  657    H    VAL  85           HN       VAL  85 -12.786   5.063   0.960
  658    HA   VAL  85           HA       VAL  85 -10.806   5.856  -1.121
  659    HB   VAL  85           HB       VAL  85 -12.678   7.354  -1.453
  660   1HG1  VAL  85          HG12      VAL  85 -12.810   7.153   1.469
  661   2HG1  VAL  85          HG11      VAL  85 -12.974   8.810   0.887
  662   3HG1  VAL  85          HG13      VAL  85 -14.080   7.560   0.314
  663   1HG2  VAL  85          HG21      VAL  85 -10.196   8.211  -1.122
  664   2HG2  VAL  85          HG23      VAL  85 -11.515   9.362  -1.320
  665   3HG2  VAL  85          HG22      VAL  85 -10.885   9.009   0.290
  666    H    LEU  86           HN       LEU  86  -8.940   6.919  -0.272
  667    HA   LEU  86           HA       LEU  86  -8.718   7.432   2.615
  668   1HB   LEU  86           HB2      LEU  86  -8.315   5.035   2.600
  669   2HB   LEU  86           HB1      LEU  86  -7.187   5.196   1.261
  670    HG   LEU  86           HG       LEU  86  -6.239   4.960   3.670
  671   1HD1  LEU  86          HD12      LEU  86  -5.041   5.691   1.509
  672   2HD1  LEU  86          HD11      LEU  86  -5.169   7.325   2.156
  673   3HD1  LEU  86          HD13      LEU  86  -4.288   6.094   3.052
  674   1HD2  LEU  86          HD23      LEU  86  -7.829   7.146   4.167
  675   2HD2  LEU  86          HD22      LEU  86  -6.447   6.664   5.145
  676   3HD2  LEU  86          HD21      LEU  86  -6.252   7.887   3.898
  677    H    GLU  87           HN       GLU  87  -7.214   9.028   2.913
  678    HA   GLU  87           HA       GLU  87  -5.380   9.665   0.649
  679   1HB   GLU  87           HB2      GLU  87  -6.212  11.763   2.602
  680   2HB   GLU  87           HB1      GLU  87  -5.822  11.909   0.901
  681   1HG   GLU  87           HG2      GLU  87  -8.079  12.093   0.631
  682   2HG   GLU  87           HG1      GLU  87  -8.045  10.335   0.767
  683    H    TRP  88           HN       TRP  88  -4.126  11.769   2.286
  684    HA   TRP  88           HA       TRP  88  -2.023  10.336   3.463
  685   1HB   TRP  88           HB2      TRP  88  -1.600  12.636   3.177
  686   2HB   TRP  88           HB1      TRP  88  -3.125  13.105   3.924
  687    HD1  TRP  88           HD1      TRP  88  -0.956  10.527   5.673
  688    HE1  TRP  88           HE1      TRP  88   0.028  11.558   7.825
  689    HE3  TRP  88           HE3      TRP  88  -2.358  15.402   5.045
  690    HZ2  TRP  88           HZ2      TRP  88   0.197  14.111   9.107
  691    HZ3  TRP  88           HZ3      TRP  88  -1.772  17.108   6.743
  692    HH2  TRP  88           HH2      TRP  88  -0.499  16.470   8.773
  693    H    LYS  89           HN       LYS  89  -4.251  12.187   5.528
  694    HA   LYS  89           HA       LYS  89  -5.210  11.639   7.596
  695   1HB   LYS  89           HB2      LYS  89  -5.153   8.938   6.235
  696   2HB   LYS  89           HB1      LYS  89  -5.869   9.182   7.829
  697   1HG   LYS  89           HG2      LYS  89  -6.668  10.622   5.282
  698   2HG   LYS  89           HG1      LYS  89  -7.597   9.363   6.096
  699   1HD   LYS  89           HD2      LYS  89  -7.443  10.924   8.177
  700   2HD   LYS  89           HD1      LYS  89  -7.045  12.180   7.003
  701   1HE   LYS  89           HE2      LYS  89  -9.268  10.721   5.978
  702   2HE   LYS  89           HE1      LYS  89  -9.624  11.120   7.659
  703   1HZ   LYS  89           HZ2      LYS  89  -8.689  13.054   5.607
  704   2HZ   LYS  89           HZ1      LYS  89 -10.300  12.880   6.121
  705   3HZ   LYS  89           HZ3      LYS  89  -9.117  13.418   7.211
  706    H    ASN  90           HN       ASN  90  -3.864  11.883   9.319
  707    HA   ASN  90           HA       ASN  90  -1.512  10.088   9.569
  708   1HB   ASN  90           HB2      ASN  90  -1.007  12.432   9.852
  709   2HB   ASN  90           HB1      ASN  90  -2.315  12.624  11.021
  710   1HD2  ASN  90          HD22      ASN  90   1.268  11.620  12.404
  711   2HD2  ASN  90          HD21      ASN  90   0.983  12.345  10.895
   
  No H/Q in entry =         711
  Start of MODEL    2
    1   1H    MET   1           HT3      MET   1   1.355  23.019  -0.077
    2   2H    MET   1           HT2      MET   1   0.415  23.112  -1.489
    3   3H    MET   1           HT1      MET   1  -0.110  23.872  -0.063
    4    HA   MET   1           HA       MET   1  -0.609  21.861   0.987
    5   1HB   MET   1           HB2      MET   1  -2.239  22.506  -0.751
    6   2HB   MET   1           HB1      MET   1  -1.321  21.595  -1.950
    7   1HG   MET   1           HG2      MET   1  -2.034  19.565  -1.154
    8   2HG   MET   1           HG1      MET   1  -2.094  20.128   0.517
    9   1HE   MET   1           HE1      MET   1  -3.659  20.121   1.635
   10   2HE   MET   1           HE3      MET   1  -5.234  20.903   1.445
   11   3HE   MET   1           HE2      MET   1  -5.035  19.204   1.027
   12    H    SER   2           HN       SER   2  -0.385  19.518   1.088
   13    HA   SER   2           HA       SER   2   1.749  18.391  -0.660
   14   1HB   SER   2           HB2      SER   2   1.666  18.171   2.364
   15   2HB   SER   2           HB1      SER   2   2.817  17.351   1.313
   16    HG   SER   2           HG       SER   2   3.594  19.352   2.204
   17    H    SER   3           HN       SER   3   0.172  17.051   2.235
   18    HA   SER   3           HA       SER   3  -1.363  15.275   2.433
   19   1HB   SER   3           HB2      SER   3  -1.850  15.002  -0.465
   20   2HB   SER   3           HB1      SER   3  -3.001  15.150   0.860
   21    HG   SER   3           HG       SER   3  -3.181  17.139   0.218
   22    H    LEU   4           HN       LEU   4   0.292  13.755   2.997
   23    HA   LEU   4           HA       LEU   4   0.885  11.842   0.846
   24   1HB   LEU   4           HB2      LEU   4   3.294  11.760   1.828
   25   2HB   LEU   4           HB1      LEU   4   2.900  12.993   0.645
   26    HG   LEU   4           HG       LEU   4   4.185  13.826   2.650
   27   1HD1  LEU   4          HD11      LEU   4   2.104  15.012   1.265
   28   2HD1  LEU   4          HD13      LEU   4   1.670  15.290   2.952
   29   3HD1  LEU   4          HD12      LEU   4   3.229  15.843   2.339
   30   1HD2  LEU   4          HD21      LEU   4   2.705  12.246   4.163
   31   2HD2  LEU   4          HD23      LEU   4   3.299  13.780   4.795
   32   3HD2  LEU   4          HD22      LEU   4   1.638  13.647   4.223
   33    H    VAL   5           HN       VAL   5   1.520   9.764   1.616
   34    HA   VAL   5           HA       VAL   5   0.750   9.296   4.462
   35    HB   VAL   5           HB       VAL   5  -0.151   7.201   3.795
   36   1HG1  VAL   5          HG13      VAL   5  -0.925   9.618   2.500
   37   2HG1  VAL   5          HG12      VAL   5  -1.195   8.280   1.386
   38   3HG1  VAL   5          HG11      VAL   5  -1.949   8.268   2.982
   39   1HG2  VAL   5          HG22      VAL   5   1.568   7.632   1.397
   40   2HG2  VAL   5          HG21      VAL   5   1.293   6.158   2.325
   41   3HG2  VAL   5          HG23      VAL   5   0.079   6.714   1.172
   42    H    TYR   6           HN       TYR   6   1.667   6.803   4.851
   43    HA   TYR   6           HA       TYR   6   4.385   6.477   3.846
   44   1HB   TYR   6           HB2      TYR   6   5.038   8.039   5.483
   45   2HB   TYR   6           HB1      TYR   6   3.817   7.486   6.629
   46    HD1  TYR   6           HD2      TYR   6   4.116   5.381   7.876
   47    HD2  TYR   6           HD1      TYR   6   7.155   6.888   5.244
   48    HE1  TYR   6           HE2      TYR   6   5.758   3.827   8.888
   49    HE2  TYR   6           HE1      TYR   6   8.800   5.335   6.252
   50    HH   TYR   6           HH       TYR   6   8.347   3.803   9.144
   51    H    ILE   7           HN       ILE   7   4.953   4.332   4.014
   52    HA   ILE   7           HA       ILE   7   3.710   2.572   5.998
   53    HB   ILE   7           HB       ILE   7   2.543   1.170   4.448
   54   1HG1  ILE   7          HG12      ILE   7   4.022   2.807   2.374
   55   2HG1  ILE   7          HG11      ILE   7   4.046   1.059   2.599
   56   1HG2  ILE   7          HG21      ILE   7   1.364   3.294   5.035
   57   2HG2  ILE   7          HG23      ILE   7   2.032   4.037   3.584
   58   3HG2  ILE   7          HG22      ILE   7   0.903   2.690   3.449
   59   1HD1  ILE   7          HD12      ILE   7   1.507   1.177   2.080
   60   2HD1  ILE   7          HD11      ILE   7   1.866   2.777   1.432
   61   3HD1  ILE   7          HD13      ILE   7   2.637   1.352   0.737
   62    H    ALA   8           HN       ALA   8   5.045   0.718   6.288
   63    HA   ALA   8           HA       ALA   8   7.103   0.208   4.219
   64   1HB   ALA   8           HB2      ALA   8   7.651   1.219   6.989
   65   2HB   ALA   8           HB1      ALA   8   8.799   0.118   6.227
   66   3HB   ALA   8           HB3      ALA   8   8.417   1.664   5.469
   67    H    PHE   9           HN       PHE   9   8.012  -1.881   4.357
   68    HA   PHE   9           HA       PHE   9   6.824  -3.705   6.393
   69   1HB   PHE   9           HB2      PHE   9   6.679  -3.833   3.410
   70   2HB   PHE   9           HB1      PHE   9   6.900  -5.347   4.281
   71    HD1  PHE   9           HD2      PHE   9   4.775  -2.270   4.231
   72    HD2  PHE   9           HD1      PHE   9   5.051  -6.436   5.236
   73    HE1  PHE   9           HE2      PHE   9   2.357  -2.298   4.777
   74    HE2  PHE   9           HE1      PHE   9   2.632  -6.466   5.781
   75    HZ   PHE   9           HZ       PHE   9   1.284  -4.395   5.551
   76    H    GLN  10           HN       GLN  10   8.055  -5.896   6.250
   77    HA   GLN  10           HA       GLN  10  10.830  -5.590   5.275
   78   1HB   GLN  10           HB2      GLN  10  10.462  -4.840   7.814
   79   2HB   GLN  10           HB1      GLN  10  10.576  -6.579   8.079
   80   1HG   GLN  10           HG2      GLN  10  12.604  -4.979   6.497
   81   2HG   GLN  10           HG1      GLN  10  12.790  -5.386   8.203
   82   1HE2  GLN  10          HE22      GLN  10  13.024  -8.414   5.424
   83   2HE2  GLN  10          HE21      GLN  10  12.193  -6.991   5.029
   84    H    ASP  11           HN       ASP  11   9.994  -7.256   3.832
   85    HA   ASP  11           HA       ASP  11   9.633  -9.920   5.135
   86   1HB   ASP  11           HB2      ASP  11   8.056  -8.739   3.252
   87   2HB   ASP  11           HB1      ASP  11   9.171  -9.631   2.219
   88    H    ASN  12           HN       ASN  12  10.484 -11.697   3.393
   89    HA   ASN  12           HA       ASN  12  13.340 -11.423   3.384
   90   1HB   ASN  12           HB2      ASN  12  12.334 -13.634   3.449
   91   2HB   ASN  12           HB1      ASN  12  11.526 -13.353   1.906
   92   1HD2  ASN  12          HD22      ASN  12  15.521 -14.261   1.957
   93   2HD2  ASN  12          HD21      ASN  12  14.734 -13.830   3.398
   94    H    ASP  13           HN       ASP  13  12.001 -12.425   0.324
   95    HA   ASP  13           HA       ASP  13  12.575  -9.826  -0.944
   96   1HB   ASP  13           HB2      ASP  13  14.572 -11.840  -0.793
   97   2HB   ASP  13           HB1      ASP  13  13.990 -11.818  -2.459
   98    H    ASN  14           HN       ASN  14  10.469 -12.168  -0.642
   99    HA   ASN  14           HA       ASN  14   9.939 -12.560  -3.547
  100   1HB   ASN  14           HB2      ASN  14   9.709 -14.264  -1.297
  101   2HB   ASN  14           HB1      ASN  14   8.062 -13.912  -1.820
  102   1HD2  ASN  14          HD22      ASN  14   9.532 -16.799  -3.807
  103   2HD2  ASN  14          HD21      ASN  14   9.444 -16.500  -2.139
  104    H    ALA  15           HN       ALA  15   8.112 -11.818  -0.555
  105    HA   ALA  15           HA       ALA  15   5.800 -10.837  -1.904
  106   1HB   ALA  15           HB3      ALA  15   6.376 -11.371   0.688
  107   2HB   ALA  15           HB2      ALA  15   6.487  -9.611   0.706
  108   3HB   ALA  15           HB1      ALA  15   4.993 -10.395   0.192
  109    H    ARG  16           HN       ARG  16   8.453  -9.012  -0.367
  110    HA   ARG  16           HA       ARG  16   7.643  -6.441  -1.113
  111   1HB   ARG  16           HB2      ARG  16   9.841  -5.756  -0.657
  112   2HB   ARG  16           HB1      ARG  16   9.677  -7.232   0.290
  113   1HG   ARG  16           HG2      ARG  16  10.808  -8.522  -1.444
  114   2HG   ARG  16           HG1      ARG  16  10.888  -7.102  -2.488
  115   1HD   ARG  16           HD2      ARG  16  12.006  -6.272  -0.051
  116   2HD   ARG  16           HD1      ARG  16  12.662  -7.885  -0.326
  117    HE   ARG  16           HE       ARG  16  12.950  -6.620  -2.777
  118   1HH1  ARG  16          HH21      ARG  16  13.809  -5.952   0.501
  119   2HH1  ARG  16          HH22      ARG  16  15.235  -5.065   0.082
  120   1HH2  ARG  16          HH11      ARG  16  14.805  -5.462  -3.336
  121   2HH2  ARG  16          HH12      ARG  16  15.800  -4.787  -2.089
  122    H    TYR  17           HN       TYR  17   9.390  -8.855  -3.048
  123    HA   TYR  17           HA       TYR  17   9.965  -7.200  -5.290
  124   1HB   TYR  17           HB2      TYR  17  10.286  -9.898  -4.651
  125   2HB   TYR  17           HB1      TYR  17   9.201  -9.915  -6.042
  126    HD1  TYR  17           HD2      TYR  17  12.267  -8.082  -4.882
  127    HD2  TYR  17           HD1      TYR  17  10.177  -9.926  -8.150
  128    HE1  TYR  17           HE2      TYR  17  14.179  -7.590  -6.383
  129    HE2  TYR  17           HE1      TYR  17  12.090  -9.434  -9.651
  130    HH   TYR  17           HH       TYR  17  15.122  -8.218  -8.420
  131    H    VAL  18           HN       VAL  18   7.124  -9.256  -4.611
  132    HA   VAL  18           HA       VAL  18   5.675  -8.758  -6.975
  133    HB   VAL  18           HB       VAL  18   4.689  -9.137  -4.133
  134   1HG1  VAL  18          HG11      VAL  18   3.266  -8.633  -6.686
  135   2HG1  VAL  18          HG13      VAL  18   2.653  -9.979  -5.726
  136   3HG1  VAL  18          HG12      VAL  18   2.732  -8.361  -5.027
  137   1HG2  VAL  18          HG21      VAL  18   5.535 -10.903  -6.362
  138   2HG2  VAL  18          HG23      VAL  18   5.561 -11.196  -4.623
  139   3HG2  VAL  18          HG22      VAL  18   4.059 -11.386  -5.527
  140    H    VAL  19           HN       VAL  19   5.476  -6.952  -3.886
  141    HA   VAL  19           HA       VAL  19   3.756  -4.900  -4.887
  142    HB   VAL  19           HB       VAL  19   5.834  -4.708  -2.685
  143   1HG1  VAL  19          HG13      VAL  19   4.922  -2.534  -3.496
  144   2HG1  VAL  19          HG12      VAL  19   3.292  -3.123  -3.171
  145   3HG1  VAL  19          HG11      VAL  19   4.426  -2.891  -1.841
  146   1HG2  VAL  19          HG22      VAL  19   3.689  -6.444  -2.822
  147   2HG2  VAL  19          HG21      VAL  19   4.425  -5.865  -1.327
  148   3HG2  VAL  19          HG23      VAL  19   2.999  -5.057  -1.978
  149    H    GLU  20           HN       GLU  20   7.138  -5.497  -5.290
  150    HA   GLU  20           HA       GLU  20   7.954  -2.804  -5.907
  151   1HB   GLU  20           HB2      GLU  20   9.193  -5.331  -5.701
  152   2HB   GLU  20           HB1      GLU  20   9.488  -4.780  -7.351
  153   1HG   GLU  20           HG2      GLU  20  11.276  -3.895  -6.029
  154   2HG   GLU  20           HG1      GLU  20  10.187  -2.544  -6.344
  155    H    ALA  21           HN       ALA  21   6.882  -5.538  -7.938
  156    HA   ALA  21           HA       ALA  21   7.171  -4.059 -10.412
  157   1HB   ALA  21           HB3      ALA  21   6.638  -6.716  -9.717
  158   2HB   ALA  21           HB2      ALA  21   5.157  -6.164 -10.500
  159   3HB   ALA  21           HB1      ALA  21   6.697  -6.058 -11.352
  160    H    ILE  22           HN       ILE  22   4.588  -4.496  -8.063
  161    HA   ILE  22           HA       ILE  22   2.474  -3.412  -9.686
  162    HB   ILE  22           HB       ILE  22   2.768  -3.397  -6.664
  163   1HG1  ILE  22          HG12      ILE  22   1.066  -5.359  -8.140
  164   2HG1  ILE  22          HG11      ILE  22   2.810  -5.622  -8.165
  165   1HG2  ILE  22          HG21      ILE  22   0.338  -3.158  -8.465
  166   2HG2  ILE  22          HG23      ILE  22   0.296  -3.256  -6.705
  167   3HG2  ILE  22          HG22      ILE  22   1.032  -1.860  -7.493
  168   1HD1  ILE  22          HD11      ILE  22   1.824  -4.918  -5.502
  169   2HD1  ILE  22          HD13      ILE  22   1.085  -6.392  -6.127
  170   3HD1  ILE  22          HD12      ILE  22   2.840  -6.271  -5.999
  171    H    ILE  23           HN       ILE  23   4.753  -1.957  -7.369
  172    HA   ILE  23           HA       ILE  23   3.686   0.686  -7.445
  173    HB   ILE  23           HB       ILE  23   6.517  -0.305  -6.996
  174   1HG1  ILE  23          HG12      ILE  23   4.667   0.843  -4.924
  175   2HG1  ILE  23          HG11      ILE  23   4.467  -0.836  -5.427
  176   1HG2  ILE  23          HG21      ILE  23   5.569   2.353  -7.476
  177   2HG2  ILE  23          HG23      ILE  23   6.015   2.225  -5.775
  178   3HG2  ILE  23          HG22      ILE  23   7.195   1.839  -7.028
  179   1HD1  ILE  23          HD11      ILE  23   7.083   0.352  -4.460
  180   2HD1  ILE  23          HD13      ILE  23   5.980  -0.580  -3.447
  181   3HD1  ILE  23          HD12      ILE  23   6.768  -1.344  -4.828
  182    H    GLN  24           HN       GLN  24   6.434  -0.696  -9.298
  183    HA   GLN  24           HA       GLN  24   6.821   1.577 -10.961
  184   1HB   GLN  24           HB2      GLN  24   7.535  -1.304 -11.074
  185   2HB   GLN  24           HB1      GLN  24   7.489  -0.474 -12.630
  186   1HG   GLN  24           HG2      GLN  24   9.027   1.236 -11.804
  187   2HG   GLN  24           HG1      GLN  24   9.020   0.501 -10.200
  188   1HE2  GLN  24          HE22      GLN  24  12.023  -0.987 -11.569
  189   2HE2  GLN  24          HE21      GLN  24  11.486   0.402 -10.755
  190    H    ASP  25           HN       ASP  25   4.474  -1.049 -11.095
  191    HA   ASP  25           HA       ASP  25   3.496  -0.859 -13.700
  192   1HB   ASP  25           HB2      ASP  25   2.603  -2.223 -11.636
  193   2HB   ASP  25           HB1      ASP  25   1.556  -0.823 -11.399
  194    H    ASN  26           HN       ASN  26   2.720   1.236 -10.922
  195    HA   ASN  26           HA       ASN  26   1.269   3.115 -12.662
  196   1HB   ASN  26           HB2      ASN  26   2.102   3.541  -9.783
  197   2HB   ASN  26           HB1      ASN  26   0.778   4.315 -10.652
  198   1HD2  ASN  26          HD22      ASN  26   0.268   0.543  -9.145
  199   2HD2  ASN  26          HD21      ASN  26   1.821   1.224  -9.214
  200    HA   PRO  27           HA       PRO  27   5.052   5.259 -13.334
  201   1HB   PRO  27           HB2      PRO  27   3.727   7.391 -14.738
  202   2HB   PRO  27           HB1      PRO  27   4.645   6.042 -15.422
  203   1HG   PRO  27           HG2      PRO  27   1.792   6.428 -15.466
  204   2HG   PRO  27           HG1      PRO  27   2.716   5.080 -16.142
  205   1HD   PRO  27           HD2      PRO  27   1.039   5.067 -13.805
  206   2HD   PRO  27           HD1      PRO  27   1.975   3.722 -14.481
  207    H    HIS  28           HN       HIS  28   3.873   5.723 -10.801
  208    HA   HIS  28           HA       HIS  28   4.637   8.541 -10.393
  209   1HB   HIS  28           HB2      HIS  28   2.066   8.212 -10.830
  210   2HB   HIS  28           HB1      HIS  28   2.062   7.612  -9.173
  211    HD1  HIS  28           HD1      HIS  28   1.685  10.666 -10.978
  212    HD2  HIS  28           HD2      HIS  28   3.570   9.637  -7.406
  213    HE1  HIS  28           HE1      HIS  28   2.005  12.824  -9.690
  214    H    ALA  29           HN       ALA  29   3.289   5.627  -8.815
  215    HA   ALA  29           HA       ALA  29   3.982   6.029  -6.181
  216   1HB   ALA  29           HB1      ALA  29   4.159   3.560  -7.897
  217   2HB   ALA  29           HB3      ALA  29   4.625   3.506  -6.197
  218   3HB   ALA  29           HB2      ALA  29   2.979   3.954  -6.647
  219    H    VAL  30           HN       VAL  30   5.864   6.018  -4.947
  220    HA   VAL  30           HA       VAL  30   8.404   6.146  -6.499
  221    HB   VAL  30           HB       VAL  30   8.337   6.833  -3.598
  222   1HG1  VAL  30          HG11      VAL  30   9.826   7.503  -6.052
  223   2HG1  VAL  30          HG13      VAL  30   9.509   8.884  -5.002
  224   3HG1  VAL  30          HG12      VAL  30  10.372   7.480  -4.375
  225   1HG2  VAL  30          HG22      VAL  30   6.941   8.434  -5.759
  226   2HG2  VAL  30          HG21      VAL  30   6.258   7.859  -4.238
  227   3HG2  VAL  30          HG23      VAL  30   7.470   9.140  -4.232
  228    H    VAL  31           HN       VAL  31  10.251   5.519  -4.574
  229    HA   VAL  31           HA       VAL  31   9.599   3.116  -3.109
  230    HB   VAL  31           HB       VAL  31   9.527   2.012  -5.212
  231   1HG1  VAL  31          HG13      VAL  31  12.070   3.519  -5.878
  232   2HG1  VAL  31          HG12      VAL  31  11.325   2.295  -6.906
  233   3HG1  VAL  31          HG11      VAL  31  10.477   3.806  -6.578
  234   1HG2  VAL  31          HG22      VAL  31  10.963   0.912  -3.487
  235   2HG2  VAL  31          HG21      VAL  31  11.459   0.519  -5.133
  236   3HG2  VAL  31          HG23      VAL  31  12.369   1.706  -4.197
  237    H    GLN  32           HN       GLN  32  11.644   2.112  -2.224
  238    HA   GLN  32           HA       GLN  32  14.004   3.907  -2.316
  239   1HB   GLN  32           HB2      GLN  32  12.129   3.738  -0.096
  240   2HB   GLN  32           HB1      GLN  32  13.754   3.261   0.398
  241   1HG   GLN  32           HG2      GLN  32  13.089   5.809  -1.106
  242   2HG   GLN  32           HG1      GLN  32  13.378   5.713   0.631
  243   1HE2  GLN  32          HE22      GLN  32  16.527   6.082  -1.771
  244   2HE2  GLN  32          HE21      GLN  32  14.932   6.451  -2.219
  245    H    HIS  33           HN       HIS  33  14.734   1.922  -3.496
  246    HA   HIS  33           HA       HIS  33  14.869  -0.670  -2.482
  247   1HB   HIS  33           HB2      HIS  33  17.128  -0.776  -3.699
  248   2HB   HIS  33           HB1      HIS  33  15.734  -0.297  -4.668
  249    HD1  HIS  33           HD1      HIS  33  17.662   0.902  -6.177
  250    HD2  HIS  33           HD2      HIS  33  16.933   2.587  -2.435
  251    HE1  HIS  33           HE1      HIS  33  18.672   3.223  -6.229
  252    H    HIS  34           HN       HIS  34  15.303  -1.002  -0.317
  253    HA   HIS  34           HA       HIS  34  17.739   0.297   0.817
  254   1HB   HIS  34           HB2      HIS  34  15.118  -0.360   1.879
  255   2HB   HIS  34           HB1      HIS  34  16.393  -1.081   2.860
  256    HD1  HIS  34           HD1      HIS  34  15.836   2.305   1.170
  257    HD2  HIS  34           HD2      HIS  34  17.300   0.719   4.736
  258    HE1  HIS  34           HE1      HIS  34  16.513   4.277   2.605
  259    HA   PRO  35           HA       PRO  35  19.850  -3.464   1.293
  260   1HB   PRO  35           HB2      PRO  35  19.974  -3.733   4.158
  261   2HB   PRO  35           HB1      PRO  35  21.235  -3.152   3.061
  262   1HG   PRO  35           HG2      PRO  35  19.660  -1.602   4.903
  263   2HG   PRO  35           HG1      PRO  35  20.908  -1.025   3.790
  264   1HD   PRO  35           HD2      PRO  35  18.061  -0.656   3.586
  265   2HD   PRO  35           HD1      PRO  35  19.316  -0.087   2.470
  266    H    ALA  36           HN       ALA  36  18.011  -3.785   4.335
  267    HA   ALA  36           HA       ALA  36  16.705  -6.205   3.151
  268   1HB   ALA  36           HB2      ALA  36  17.738  -5.684   5.945
  269   2HB   ALA  36           HB1      ALA  36  16.602  -6.986   5.589
  270   3HB   ALA  36           HB3      ALA  36  18.199  -6.980   4.840
  271    H    MET  37           HN       MET  37  16.074  -3.112   3.999
  272    HA   MET  37           HA       MET  37  13.379  -3.787   5.107
  273   1HB   MET  37           HB2      MET  37  14.823  -1.121   5.211
  274   2HB   MET  37           HB1      MET  37  13.327  -1.548   6.044
  275   1HG   MET  37           HG2      MET  37  14.543  -3.293   7.314
  276   2HG   MET  37           HG1      MET  37  16.039  -2.826   6.506
  277   1HE   MET  37           HE2      MET  37  14.657  -2.960   9.529
  278   2HE   MET  37           HE1      MET  37  16.409  -2.776   9.509
  279   3HE   MET  37           HE3      MET  37  15.409  -1.650  10.436
  280    H    ILE  38           HN       ILE  38  11.563  -2.520   4.242
  281    HA   ILE  38           HA       ILE  38  12.108  -1.318   1.564
  282    HB   ILE  38           HB       ILE  38   9.964  -2.462   0.797
  283   1HG1  ILE  38          HG12      ILE  38  10.498  -4.093   3.303
  284   2HG1  ILE  38          HG11      ILE  38   9.127  -3.008   3.071
  285   1HG2  ILE  38          HG21      ILE  38  12.431  -4.041   1.568
  286   2HG2  ILE  38          HG23      ILE  38  11.145  -4.715   0.567
  287   3HG2  ILE  38          HG22      ILE  38  12.060  -3.316   0.003
  288   1HD1  ILE  38          HD13      ILE  38   8.598  -4.403   0.975
  289   2HD1  ILE  38          HD12      ILE  38   9.735  -5.587   1.621
  290   3HD1  ILE  38          HD11      ILE  38   8.288  -5.164   2.536
  291    H    ARG  39           HN       ARG  39  11.749   0.780   2.428
  292    HA   ARG  39           HA       ARG  39   9.255   1.326   3.880
  293   1HB   ARG  39           HB2      ARG  39  11.797   2.585   3.622
  294   2HB   ARG  39           HB1      ARG  39  10.580   3.727   3.053
  295   1HG   ARG  39           HG2      ARG  39   9.279   3.342   5.138
  296   2HG   ARG  39           HG1      ARG  39  10.559   2.274   5.715
  297   1HD   ARG  39           HD2      ARG  39  10.807   4.558   6.636
  298   2HD   ARG  39           HD1      ARG  39  12.173   4.126   5.608
  299    HE   ARG  39           HE       ARG  39  10.425   5.403   3.879
  300   1HH1  ARG  39          HH21      ARG  39  11.888   6.108   6.927
  301   2HH1  ARG  39          HH22      ARG  39  11.936   7.817   6.653
  302   1HH2  ARG  39          HH11      ARG  39  10.485   7.635   3.514
  303   2HH2  ARG  39          HH12      ARG  39  11.143   8.680   4.728
  304    H    ILE  40           HN       ILE  40   7.767   3.057   3.102
  305    HA   ILE  40           HA       ILE  40   7.774   3.562   0.201
  306    HB   ILE  40           HB       ILE  40   5.576   2.017   1.602
  307   1HG1  ILE  40          HG12      ILE  40   6.142   0.646  -0.649
  308   2HG1  ILE  40          HG11      ILE  40   7.716   1.395  -0.379
  309   1HG2  ILE  40          HG23      ILE  40   5.646   3.296  -1.148
  310   2HG2  ILE  40          HG22      ILE  40   4.435   2.122  -0.632
  311   3HG2  ILE  40          HG21      ILE  40   4.544   3.688   0.172
  312   1HD1  ILE  40          HD13      ILE  40   7.377   0.583   2.094
  313   2HD1  ILE  40          HD12      ILE  40   6.215  -0.531   1.374
  314   3HD1  ILE  40          HD11      ILE  40   7.905  -0.572   0.870
  315    H    GLU  41           HN       GLU  41   6.044   5.191  -0.374
  316    HA   GLU  41           HA       GLU  41   4.675   6.545   1.807
  317   1HB   GLU  41           HB2      GLU  41   5.961   8.721   1.024
  318   2HB   GLU  41           HB1      GLU  41   6.621   7.686   2.284
  319   1HG   GLU  41           HG2      GLU  41   8.334   6.962   0.965
  320   2HG   GLU  41           HG1      GLU  41   7.325   6.913  -0.482
  321    H    ALA  42           HN       ALA  42   3.278   8.268   1.004
  322    HA   ALA  42           HA       ALA  42   2.957   8.305  -1.975
  323   1HB   ALA  42           HB3      ALA  42   1.231   6.876  -0.710
  324   2HB   ALA  42           HB2      ALA  42   0.628   8.396  -0.049
  325   3HB   ALA  42           HB1      ALA  42   0.591   8.115  -1.790
  326    H    GLU  43           HN       GLU  43   1.295  10.268  -2.477
  327    HA   GLU  43           HA       GLU  43   1.582  12.505  -0.599
  328   1HB   GLU  43           HB2      GLU  43   2.714  13.888  -2.478
  329   2HB   GLU  43           HB1      GLU  43   3.714  12.799  -1.515
  330   1HG   GLU  43           HG2      GLU  43   3.855  11.203  -3.230
  331   2HG   GLU  43           HG1      GLU  43   2.422  11.821  -4.053
  332    H    LYS  44           HN       LYS  44  -0.881  11.955  -1.097
  333    HA   LYS  44           HA       LYS  44  -2.025  14.101  -2.461
  334   1HB   LYS  44           HB2      LYS  44  -0.892  12.333  -4.331
  335   2HB   LYS  44           HB1      LYS  44  -2.623  12.024  -4.401
  336   1HG   LYS  44           HG2      LYS  44  -2.901  14.585  -4.483
  337   2HG   LYS  44           HG1      LYS  44  -1.175  14.636  -4.843
  338   1HD   LYS  44           HD2      LYS  44  -1.923  12.751  -6.615
  339   2HD   LYS  44           HD1      LYS  44  -3.432  13.660  -6.517
  340   1HE   LYS  44           HE2      LYS  44  -2.266  14.777  -8.223
  341   2HE   LYS  44           HE1      LYS  44  -1.914  15.759  -6.801
  342   1HZ   LYS  44           HZ1      LYS  44   0.025  13.892  -6.715
  343   2HZ   LYS  44           HZ3      LYS  44  -0.151  14.120  -8.386
  344   3HZ   LYS  44           HZ2      LYS  44   0.205  15.444  -7.383
  345    H    ARG  45           HN       ARG  45  -4.212  12.652  -3.791
  346    HA   ARG  45           HA       ARG  45  -5.456  11.323  -1.417
  347   1HB   ARG  45           HB2      ARG  45  -6.555  13.414  -3.294
  348   2HB   ARG  45           HB1      ARG  45  -7.636  12.315  -2.436
  349   1HG   ARG  45           HG2      ARG  45  -7.169  13.235  -0.381
  350   2HG   ARG  45           HG1      ARG  45  -5.517  13.659  -0.830
  351   1HD   ARG  45           HD2      ARG  45  -6.647  15.740  -0.694
  352   2HD   ARG  45           HD1      ARG  45  -6.577  15.385  -2.420
  353    HE   ARG  45           HE       ARG  45  -8.994  14.294  -1.626
  354   1HH1  ARG  45          HH21      ARG  45  -7.424  17.356  -1.339
  355   2HH1  ARG  45          HH22      ARG  45  -8.901  18.259  -1.351
  356   1HH2  ARG  45          HH11      ARG  45 -10.926  15.460  -1.650
  357   2HH2  ARG  45          HH12      ARG  45 -10.882  17.187  -1.529
  358    H    LEU  46           HN       LEU  46  -6.439   9.397  -1.866
  359    HA   LEU  46           HA       LEU  46  -6.743   8.619  -4.734
  360   1HB   LEU  46           HB2      LEU  46  -6.237   6.395  -2.889
  361   2HB   LEU  46           HB1      LEU  46  -5.465   6.762  -4.428
  362    HG   LEU  46           HG       LEU  46  -4.797   8.009  -1.743
  363   1HD1  LEU  46          HD11      LEU  46  -4.016   5.586  -2.610
  364   2HD1  LEU  46          HD13      LEU  46  -2.804   6.577  -3.422
  365   3HD1  LEU  46          HD12      LEU  46  -2.961   6.639  -1.667
  366   1HD2  LEU  46          HD21      LEU  46  -4.452   9.023  -4.386
  367   2HD2  LEU  46          HD23      LEU  46  -3.840   9.696  -2.875
  368   3HD2  LEU  46          HD22      LEU  46  -2.866   8.541  -3.784
  369    H    GLU  47           HN       GLU  47  -8.386   6.832  -5.015
  370    HA   GLU  47           HA       GLU  47 -10.138   6.075  -2.887
  371   1HB   GLU  47           HB2      GLU  47 -12.063   7.468  -3.291
  372   2HB   GLU  47           HB1      GLU  47 -10.681   8.537  -3.042
  373   1HG   GLU  47           HG2      GLU  47 -10.606   8.049  -5.769
  374   2HG   GLU  47           HG1      GLU  47 -12.334   8.159  -5.433
  375    H    ILE  48           HN       ILE  48 -12.001   4.865  -3.644
  376    HA   ILE  48           HA       ILE  48 -12.225   4.342  -6.530
  377    HB   ILE  48           HB       ILE  48 -12.006   1.811  -5.062
  378   1HG1  ILE  48          HG12      ILE  48  -9.440   3.354  -5.518
  379   2HG1  ILE  48          HG11      ILE  48 -10.230   3.278  -3.942
  380   1HG2  ILE  48          HG21      ILE  48 -12.163   2.058  -7.524
  381   2HG2  ILE  48          HG23      ILE  48 -10.620   2.913  -7.523
  382   3HG2  ILE  48          HG22      ILE  48 -10.689   1.217  -7.044
  383   1HD1  ILE  48          HD11      ILE  48 -10.221   0.638  -4.656
  384   2HD1  ILE  48          HD13      ILE  48  -8.718   1.196  -5.392
  385   3HD1  ILE  48          HD12      ILE  48  -8.980   1.396  -3.659
  386    H    ARG  49           HN       ARG  49 -14.184   3.102  -7.009
  387    HA   ARG  49           HA       ARG  49 -16.183   3.407  -4.838
  388   1HB   ARG  49           HB2      ARG  49 -16.555   4.501  -7.055
  389   2HB   ARG  49           HB1      ARG  49 -16.654   2.899  -7.780
  390   1HG   ARG  49           HG2      ARG  49 -18.640   2.367  -6.621
  391   2HG   ARG  49           HG1      ARG  49 -18.381   3.633  -5.420
  392   1HD   ARG  49           HD2      ARG  49 -20.079   4.487  -6.845
  393   2HD   ARG  49           HD1      ARG  49 -18.601   5.296  -7.367
  394    HE   ARG  49           HE       ARG  49 -18.726   3.048  -8.981
  395   1HH1  ARG  49          HH21      ARG  49 -20.842   5.652  -8.156
  396   2HH1  ARG  49          HH22      ARG  49 -21.649   5.651  -9.687
  397   1HH2  ARG  49          HH11      ARG  49 -19.773   3.040 -10.981
  398   2HH2  ARG  49          HH12      ARG  49 -21.045   4.176 -11.284
  399    H    ARG  50           HN       ARG  50 -17.269   1.289  -7.239
  400    HA   ARG  50           HA       ARG  50 -17.603  -0.911  -5.484
  401   1HB   ARG  50           HB2      ARG  50 -18.061  -0.329  -8.324
  402   2HB   ARG  50           HB1      ARG  50 -17.672  -2.020  -8.011
  403   1HG   ARG  50           HG2      ARG  50 -20.121  -1.552  -7.870
  404   2HG   ARG  50           HG1      ARG  50 -19.455  -2.169  -6.358
  405   1HD   ARG  50           HD2      ARG  50 -19.095   0.479  -5.955
  406   2HD   ARG  50           HD1      ARG  50 -20.519   0.528  -6.994
  407    HE   ARG  50           HE       ARG  50 -21.167  -1.390  -5.116
  408   1HH1  ARG  50          HH21      ARG  50 -20.004   1.861  -5.037
  409   2HH1  ARG  50          HH22      ARG  50 -20.801   2.246  -3.549
  410   1HH2  ARG  50          HH11      ARG  50 -22.209  -0.898  -3.173
  411   2HH2  ARG  50          HH12      ARG  50 -22.046   0.687  -2.495
  412    H    GLU  51           HN       GLU  51 -14.734   0.182  -6.886
  413    HA   GLU  51           HA       GLU  51 -13.426  -2.173  -7.710
  414   1HB   GLU  51           HB2      GLU  51 -12.468   0.134  -7.862
  415   2HB   GLU  51           HB1      GLU  51 -12.190   0.090  -6.121
  416   1HG   GLU  51           HG2      GLU  51 -10.300  -1.100  -6.395
  417   2HG   GLU  51           HG1      GLU  51 -11.155  -2.312  -7.349
  418    H    THR  52           HN       THR  52 -14.626  -1.358  -4.596
  419    HA   THR  52           HA       THR  52 -12.764  -2.709  -2.933
  420    HB   THR  52           HB       THR  52 -15.718  -2.885  -2.410
  421    HG1  THR  52           HG1      THR  52 -15.831  -0.818  -2.681
  422   1HG2  THR  52          HG21      THR  52 -13.926  -3.774  -0.840
  423   2HG2  THR  52          HG23      THR  52 -13.433  -2.098  -0.595
  424   3HG2  THR  52          HG22      THR  52 -15.052  -2.617  -0.129
  425    H    VAL  53           HN       VAL  53 -15.487  -3.986  -4.829
  426    HA   VAL  53           HA       VAL  53 -15.491  -6.637  -3.867
  427    HB   VAL  53           HB       VAL  53 -15.925  -5.559  -6.670
  428   1HG1  VAL  53          HG13      VAL  53 -15.179  -7.972  -6.636
  429   2HG1  VAL  53          HG12      VAL  53 -16.588  -8.331  -5.639
  430   3HG1  VAL  53          HG11      VAL  53 -16.802  -7.727  -7.281
  431   1HG2  VAL  53          HG23      VAL  53 -17.487  -5.594  -4.288
  432   2HG2  VAL  53          HG22      VAL  53 -17.984  -5.071  -5.897
  433   3HG2  VAL  53          HG21      VAL  53 -18.214  -6.749  -5.405
  434    H    GLU  54           HN       GLU  54 -13.268  -4.961  -6.003
  435    HA   GLU  54           HA       GLU  54 -11.812  -7.307  -6.861
  436   1HB   GLU  54           HB2      GLU  54 -11.395  -5.406  -8.194
  437   2HB   GLU  54           HB1      GLU  54 -11.205  -4.351  -6.798
  438   1HG   GLU  54           HG2      GLU  54  -8.998  -4.796  -6.643
  439   2HG   GLU  54           HG1      GLU  54  -9.266  -6.533  -6.792
  440    H    GLU  55           HN       GLU  55 -11.514  -5.011  -4.172
  441    HA   GLU  55           HA       GLU  55  -9.099  -5.901  -3.044
  442   1HB   GLU  55           HB2      GLU  55 -10.297  -4.042  -2.042
  443   2HB   GLU  55           HB1      GLU  55 -11.678  -5.075  -1.671
  444   1HG   GLU  55           HG2      GLU  55 -10.713  -5.853   0.219
  445   2HG   GLU  55           HG1      GLU  55  -9.171  -6.131  -0.593
  446    H    ASN  56           HN       ASN  56 -12.351  -7.082  -2.103
  447    HA   ASN  56           HA       ASN  56 -11.554  -9.358  -0.633
  448   1HB   ASN  56           HB2      ASN  56 -13.977  -8.343  -1.582
  449   2HB   ASN  56           HB1      ASN  56 -13.847  -9.917  -2.368
  450   1HD2  ASN  56          HD22      ASN  56 -13.415 -11.469   1.030
  451   2HD2  ASN  56          HD21      ASN  56 -12.414 -11.333  -0.334
  452    H    LEU  57           HN       LEU  57 -11.602  -8.919  -4.154
  453    HA   LEU  57           HA       LEU  57 -11.342 -11.637  -4.904
  454   1HB   LEU  57           HB2      LEU  57 -11.419  -9.708  -6.528
  455   2HB   LEU  57           HB1      LEU  57  -9.754  -9.333  -6.082
  456    HG   LEU  57           HG       LEU  57  -9.352 -11.880  -6.629
  457   1HD1  LEU  57          HD13      LEU  57 -12.071 -11.354  -7.586
  458   2HD1  LEU  57          HD12      LEU  57 -11.012 -11.986  -8.846
  459   3HD1  LEU  57          HD11      LEU  57 -11.242 -12.893  -7.351
  460   1HD2  LEU  57          HD22      LEU  57  -8.544  -9.715  -7.809
  461   2HD2  LEU  57          HD21      LEU  57  -8.536 -11.212  -8.742
  462   3HD2  LEU  57          HD23      LEU  57  -9.833 -10.039  -8.969
  463    H    GLY  58           HN       GLY  58  -8.702  -9.312  -4.200
  464   1HA   GLY  58           HA2      GLY  58  -6.606 -11.217  -4.019
  465   2HA   GLY  58           HA1      GLY  58  -6.641  -9.693  -3.118
  466    H    ARG  59           HN       ARG  59  -9.243 -10.473  -1.993
  467    HA   ARG  59           HA       ARG  59 -10.211 -12.109  -0.458
  468   1HB   ARG  59           HB2      ARG  59  -8.157 -13.388  -0.738
  469   2HB   ARG  59           HB1      ARG  59  -7.398 -12.290   0.389
  470   1HG   ARG  59           HG2      ARG  59  -9.432 -12.928   1.942
  471   2HG   ARG  59           HG1      ARG  59  -9.525 -14.350   0.904
  472   1HD   ARG  59           HD2      ARG  59  -6.798 -13.747   1.776
  473   2HD   ARG  59           HD1      ARG  59  -7.882 -14.083   3.123
  474    HE   ARG  59           HE       ARG  59  -6.765 -16.037   1.399
  475   1HH1  ARG  59          HH21      ARG  59  -9.874 -15.119   2.627
  476   2HH1  ARG  59          HH22      ARG  59 -10.593 -16.652   2.278
  477   1HH2  ARG  59          HH11      ARG  59  -7.698 -18.033   0.976
  478   2HH2  ARG  59          HH12      ARG  59  -9.367 -18.299   1.359
  479    H    ALA  60           HN       ALA  60  -9.781  -9.249  -0.581
  480    HA   ALA  60           HA       ALA  60  -9.921  -7.415   0.888
  481   1HB   ALA  60           HB2      ALA  60 -11.487  -9.079   2.149
  482   2HB   ALA  60           HB1      ALA  60 -10.077  -9.445   3.143
  483   3HB   ALA  60           HB3      ALA  60 -10.733  -7.809   3.113
  484    H    TRP  61           HN       TRP  61  -7.803  -6.846   0.517
  485    HA   TRP  61           HA       TRP  61  -5.407  -7.856   0.707
  486   1HB   TRP  61           HB2      TRP  61  -5.553  -5.477   0.547
  487   2HB   TRP  61           HB1      TRP  61  -6.196  -5.342   2.182
  488    HD1  TRP  61           HD1      TRP  61  -4.513  -5.685   4.205
  489    HE1  TRP  61           HE1      TRP  61  -1.939  -5.501   4.346
  490    HE3  TRP  61           HE3      TRP  61  -3.352  -5.876  -0.756
  491    HZ2  TRP  61           HZ2      TRP  61   0.312  -5.443   2.573
  492    HZ3  TRP  61           HZ3      TRP  61  -0.994  -5.756  -1.507
  493    HH2  TRP  61           HH2      TRP  61   0.838  -5.540   0.149
  494    H    ASP  62           HN       ASP  62  -5.657  -9.760   1.832
  495    HA   ASP  62           HA       ASP  62  -5.520  -9.686   4.796
  496   1HB   ASP  62           HB2      ASP  62  -7.380 -10.974   3.759
  497   2HB   ASP  62           HB1      ASP  62  -6.209 -11.928   2.856
  498    H    VAL  63           HN       VAL  63  -3.151  -9.040   4.336
  499    HA   VAL  63           HA       VAL  63  -1.428 -11.234   3.391
  500    HB   VAL  63           HB       VAL  63  -0.420  -8.743   4.723
  501   1HG1  VAL  63          HG12      VAL  63   0.539 -10.822   2.847
  502   2HG1  VAL  63          HG11      VAL  63   1.034  -9.176   2.453
  503   3HG1  VAL  63          HG13      VAL  63   1.441  -9.867   4.024
  504   1HG2  VAL  63          HG23      VAL  63  -1.843  -8.984   2.086
  505   2HG2  VAL  63          HG22      VAL  63  -1.961  -7.709   3.298
  506   3HG2  VAL  63          HG21      VAL  63  -0.533  -7.820   2.269
  507    H    GLN  64           HN       GLN  64  -3.058 -10.831   6.155
  508    HA   GLN  64           HA       GLN  64  -1.401 -10.882   8.351
  509   1HB   GLN  64           HB2      GLN  64  -3.900 -12.345   7.654
  510   2HB   GLN  64           HB1      GLN  64  -3.001 -12.930   9.055
  511   1HG   GLN  64           HG2      GLN  64  -4.714 -11.177   9.618
  512   2HG   GLN  64           HG1      GLN  64  -3.072 -10.741  10.093
  513   1HE2  GLN  64          HE22      GLN  64  -2.818  -8.058   7.769
  514   2HE2  GLN  64          HE21      GLN  64  -1.958  -9.082   8.816
  515    H    GLU  65           HN       GLU  65  -1.726 -13.433   5.923
  516    HA   GLU  65           HA       GLU  65  -0.239 -15.444   7.327
  517   1HB   GLU  65           HB2      GLU  65  -1.128 -14.959   4.550
  518   2HB   GLU  65           HB1      GLU  65   0.343 -15.922   4.691
  519   1HG   GLU  65           HG2      GLU  65  -1.945 -16.589   6.496
  520   2HG   GLU  65           HG1      GLU  65  -2.062 -17.062   4.801
  521    H    MET  66           HN       MET  66   0.782 -13.055   4.882
  522    HA   MET  66           HA       MET  66   3.607 -13.675   5.194
  523   1HB   MET  66           HB2      MET  66   1.931 -12.034   3.514
  524   2HB   MET  66           HB1      MET  66   3.313 -11.107   4.091
  525   1HG   MET  66           HG2      MET  66   4.235 -12.117   2.204
  526   2HG   MET  66           HG1      MET  66   4.651 -13.298   3.447
  527   1HE   MET  66           HE3      MET  66   2.121 -12.074   0.980
  528   2HE   MET  66           HE2      MET  66   1.148 -13.463   0.502
  529   3HE   MET  66           HE1      MET  66   0.904 -12.728   2.084
  530    H    LEU  67           HN       LEU  67   1.465 -12.098   7.167
  531    HA   LEU  67           HA       LEU  67   2.446  -9.718   8.059
  532   1HB   LEU  67           HB2      LEU  67   1.659 -10.241  10.265
  533   2HB   LEU  67           HB1      LEU  67   0.608 -11.091   9.133
  534    HG   LEU  67           HG       LEU  67   2.303 -13.065   9.443
  535   1HD1  LEU  67          HD11      LEU  67   3.218 -11.093  11.391
  536   2HD1  LEU  67          HD13      LEU  67   2.814 -12.632  12.152
  537   3HD1  LEU  67          HD12      LEU  67   4.002 -12.577  10.850
  538   1HD2  LEU  67          HD23      LEU  67  -0.071 -12.214  10.848
  539   2HD2  LEU  67          HD22      LEU  67   0.435 -13.850  10.427
  540   3HD2  LEU  67          HD21      LEU  67   0.973 -13.124  11.941
  541    H    VAL  68           HN       VAL  68   4.165 -12.771   8.298
  542    HA   VAL  68           HA       VAL  68   5.994 -12.453  10.309
  543    HB   VAL  68           HB       VAL  68   7.716 -13.442   8.706
  544   1HG1  VAL  68          HG12      VAL  68   5.389 -14.522   9.861
  545   2HG1  VAL  68          HG11      VAL  68   5.447 -15.179   8.226
  546   3HG1  VAL  68          HG13      VAL  68   6.811 -15.412   9.318
  547   1HG2  VAL  68          HG22      VAL  68   5.345 -13.176   6.833
  548   2HG2  VAL  68          HG21      VAL  68   6.928 -12.423   6.638
  549   3HG2  VAL  68          HG23      VAL  68   6.762 -14.173   6.505
  550    H    ASP  69           HN       ASP  69   6.190 -10.802   7.152
  551    HA   ASP  69           HA       ASP  69   8.614  -9.375   7.705
  552   1HB   ASP  69           HB2      ASP  69   7.763  -7.834   5.875
  553   2HB   ASP  69           HB1      ASP  69   7.848  -9.536   5.428
  554    H    VAL  70           HN       VAL  70   8.883  -7.200   8.433
  555    HA   VAL  70           HA       VAL  70   7.104  -6.339  10.509
  556    HB   VAL  70           HB       VAL  70   9.072  -4.605   8.989
  557   1HG1  VAL  70          HG12      VAL  70   7.786  -4.477  11.722
  558   2HG1  VAL  70          HG11      VAL  70   9.226  -3.546  11.311
  559   3HG1  VAL  70          HG13      VAL  70   7.720  -3.272  10.436
  560   1HG2  VAL  70          HG21      VAL  70   9.852  -6.916  10.014
  561   2HG2  VAL  70          HG23      VAL  70  10.816  -5.462  10.279
  562   3HG2  VAL  70          HG22      VAL  70   9.730  -6.042  11.541
  563    H    ILE  71           HN       ILE  71   6.022  -4.063  10.404
  564    HA   ILE  71           HA       ILE  71   4.985  -3.482   7.680
  565    HB   ILE  71           HB       ILE  71   3.099  -3.772  10.017
  566   1HG1  ILE  71          HG12      ILE  71   3.630  -5.876   7.905
  567   2HG1  ILE  71          HG11      ILE  71   4.374  -5.921   9.503
  568   1HG2  ILE  71          HG21      ILE  71   2.945  -3.053   7.196
  569   2HG2  ILE  71          HG23      ILE  71   1.857  -4.380   7.599
  570   3HG2  ILE  71          HG22      ILE  71   1.742  -2.850   8.468
  571   1HD1  ILE  71          HD12      ILE  71   1.482  -5.453   9.602
  572   2HD1  ILE  71          HD11      ILE  71   1.908  -6.995   8.859
  573   3HD1  ILE  71          HD13      ILE  71   2.462  -6.620  10.490
  574    H    THR  72           HN       THR  72   3.936  -1.387   7.532
  575    HA   THR  72           HA       THR  72   3.984   0.419   9.820
  576    HB   THR  72           HB       THR  72   5.564   1.690   7.749
  577    HG1  THR  72           HG1      THR  72   7.001  -0.302   9.047
  578   1HG2  THR  72          HG21      THR  72   5.267   2.330  10.184
  579   2HG2  THR  72          HG23      THR  72   6.310   0.967  10.588
  580   3HG2  THR  72          HG22      THR  72   6.938   2.299   9.618
  581    H    ILE  73           HN       ILE  73   2.610   2.186   9.440
  582    HA   ILE  73           HA       ILE  73   1.641   2.610   6.680
  583    HB   ILE  73           HB       ILE  73  -0.718   2.750   7.951
  584   1HG1  ILE  73          HG12      ILE  73   0.216   0.277   9.259
  585   2HG1  ILE  73          HG11      ILE  73   0.845   1.762   9.974
  586   1HG2  ILE  73          HG21      ILE  73   0.301   1.218   6.006
  587   2HG2  ILE  73          HG23      ILE  73   0.163  -0.013   7.260
  588   3HG2  ILE  73          HG22      ILE  73  -1.268   0.873   6.734
  589   1HD1  ILE  73          HD13      ILE  73  -2.087   1.459   9.331
  590   2HD1  ILE  73          HD12      ILE  73  -1.422   0.879  10.858
  591   3HD1  ILE  73          HD11      ILE  73  -1.318   2.590  10.445
  592    H    GLY  74           HN       GLY  74   0.311   4.616   6.523
  593   1HA   GLY  74           HA2      GLY  74   0.146   6.513   8.670
  594   2HA   GLY  74           HA1      GLY  74   1.551   6.869   7.667
  595    H    GLY  75           HN       GLY  75  -1.920   6.191   7.396
  596   1HA   GLY  75           HA2      GLY  75  -3.092   8.194   6.201
  597   2HA   GLY  75           HA1      GLY  75  -1.986   7.784   4.883
  598    H    ASN  76           HN       ASN  76  -4.999   7.067   6.270
  599    HA   ASN  76           HA       ASN  76  -5.456   4.982   4.269
  600   1HB   ASN  76           HB2      ASN  76  -6.399   3.516   6.248
  601   2HB   ASN  76           HB1      ASN  76  -4.698   3.431   5.790
  602   1HD2  ASN  76          HD22      ASN  76  -5.713   4.850   9.446
  603   2HD2  ASN  76          HD21      ASN  76  -6.884   4.278   8.358
  604    H    VAL  77           HN       VAL  77  -7.542   4.845   3.705
  605    HA   VAL  77           HA       VAL  77  -9.702   5.829   5.421
  606    HB   VAL  77           HB       VAL  77  -9.562   6.960   2.645
  607   1HG1  VAL  77          HG12      VAL  77 -11.513   7.056   4.385
  608   2HG1  VAL  77          HG11      VAL  77 -10.531   8.307   5.147
  609   3HG1  VAL  77          HG13      VAL  77 -11.089   8.514   3.487
  610   1HG2  VAL  77          HG23      VAL  77  -7.367   7.463   3.766
  611   2HG2  VAL  77          HG22      VAL  77  -8.327   8.902   3.425
  612   3HG2  VAL  77          HG21      VAL  77  -8.264   8.252   5.063
  613    H    ASP  78           HN       ASP  78  -8.718   3.362   4.255
  614    HA   ASP  78           HA       ASP  78  -9.851   2.412   1.935
  615   1HB   ASP  78           HB2      ASP  78  -9.782   0.211   2.898
  616   2HB   ASP  78           HB1      ASP  78  -8.419   1.128   3.535
  617    H    GLU  79           HN       GLU  79 -11.422   2.760   4.972
  618    HA   GLU  79           HA       GLU  79 -13.973   2.003   3.633
  619   1HB   GLU  79           HB2      GLU  79 -12.977   1.710   6.439
  620   2HB   GLU  79           HB1      GLU  79 -14.714   1.882   6.178
  621   1HG   GLU  79           HG2      GLU  79 -13.429  -0.002   4.326
  622   2HG   GLU  79           HG1      GLU  79 -13.326  -0.493   6.017
  623    H    ASP  80           HN       ASP  80 -14.842   3.882   2.876
  624    HA   ASP  80           HA       ASP  80 -15.111   6.131   4.831
  625   1HB   ASP  80           HB2      ASP  80 -13.783   6.746   2.855
  626   2HB   ASP  80           HB1      ASP  80 -15.098   6.228   1.798
  627    H    ASP  81           HN       ASP  81 -16.795   5.105   1.835
  628    HA   ASP  81           HA       ASP  81 -19.363   5.491   3.305
  629   1HB   ASP  81           HB2      ASP  81 -18.617   5.697   0.388
  630   2HB   ASP  81           HB1      ASP  81 -20.295   5.535   0.901
  631    H    ASP  82           HN       ASP  82 -19.236   3.734   0.287
  632    HA   ASP  82           HA       ASP  82 -19.546   1.168   1.787
  633   1HB   ASP  82           HB2      ASP  82 -21.329   2.346  -0.341
  634   2HB   ASP  82           HB1      ASP  82 -21.249   0.601  -0.093
  635    H    ARG  83           HN       ARG  83 -17.791   2.860  -0.411
  636    HA   ARG  83           HA       ARG  83 -17.228   0.519  -2.160
  637   1HB   ARG  83           HB2      ARG  83 -15.797   2.406  -3.315
  638   2HB   ARG  83           HB1      ARG  83 -17.532   2.320  -3.574
  639   1HG   ARG  83           HG2      ARG  83 -16.511   3.922  -1.260
  640   2HG   ARG  83           HG1      ARG  83 -16.374   4.604  -2.882
  641   1HD   ARG  83           HD2      ARG  83 -18.984   3.420  -2.488
  642   2HD   ARG  83           HD1      ARG  83 -18.656   4.612  -1.235
  643    HE   ARG  83           HE       ARG  83 -19.362   5.212  -3.912
  644   1HH1  ARG  83          HH21      ARG  83 -16.946   6.073  -1.585
  645   2HH1  ARG  83          HH22      ARG  83 -16.488   7.515  -2.421
  646   1HH2  ARG  83          HH11      ARG  83 -18.776   7.096  -4.983
  647   2HH2  ARG  83          HH12      ARG  83 -17.522   8.097  -4.331
  648    H    PHE  84           HN       PHE  84 -14.682   2.817  -1.935
  649    HA   PHE  84           HA       PHE  84 -13.276   1.809   0.347
  650   1HB   PHE  84           HB2      PHE  84 -13.074  -0.265  -0.876
  651   2HB   PHE  84           HB1      PHE  84 -12.598   0.589  -2.342
  652    HD1  PHE  84           HD2      PHE  84 -10.417   1.878  -2.370
  653    HD2  PHE  84           HD1      PHE  84 -11.468  -0.840   0.787
  654    HE1  PHE  84           HE2      PHE  84  -8.042   1.775  -1.668
  655    HE2  PHE  84           HE1      PHE  84  -9.091  -0.943   1.490
  656    HZ   PHE  84           HZ       PHE  84  -7.378   0.366   0.262
  657    H    VAL  85           HN       VAL  85 -12.070   3.620   0.811
  658    HA   VAL  85           HA       VAL  85 -10.727   4.961  -1.518
  659    HB   VAL  85           HB       VAL  85 -12.786   6.185  -0.771
  660   1HG1  VAL  85          HG11      VAL  85 -12.576   5.555   1.633
  661   2HG1  VAL  85          HG13      VAL  85 -11.198   6.649   1.764
  662   3HG1  VAL  85          HG12      VAL  85 -12.798   7.287   1.388
  663   1HG2  VAL  85          HG21      VAL  85 -10.431   7.238  -1.547
  664   2HG2  VAL  85          HG23      VAL  85 -11.823   8.235  -1.142
  665   3HG2  VAL  85          HG22      VAL  85 -10.550   7.970   0.048
  666    H    LEU  86           HN       LEU  86  -9.016   6.606  -0.593
  667    HA   LEU  86           HA       LEU  86  -7.816   6.230   1.984
  668   1HB   LEU  86           HB2      LEU  86  -7.156   4.056   1.363
  669   2HB   LEU  86           HB1      LEU  86  -6.881   4.503  -0.312
  670    HG   LEU  86           HG       LEU  86  -4.814   4.111   1.216
  671   1HD1  LEU  86          HD13      LEU  86  -5.320   5.755  -1.011
  672   2HD1  LEU  86          HD12      LEU  86  -4.310   6.714   0.071
  673   3HD1  LEU  86          HD11      LEU  86  -3.758   5.132  -0.479
  674   1HD2  LEU  86          HD22      LEU  86  -6.077   6.048   2.751
  675   2HD2  LEU  86          HD21      LEU  86  -4.388   5.560   2.893
  676   3HD2  LEU  86          HD23      LEU  86  -4.821   6.949   1.907
  677    H    GLU  87           HN       GLU  87  -6.563   8.094   2.171
  678    HA   GLU  87           HA       GLU  87  -5.532   9.318  -0.336
  679   1HB   GLU  87           HB2      GLU  87  -6.649  10.829   2.022
  680   2HB   GLU  87           HB1      GLU  87  -6.178  11.478   0.460
  681   1HG   GLU  87           HG2      GLU  87  -8.156  10.940  -0.477
  682   2HG   GLU  87           HG1      GLU  87  -8.092   9.304   0.181
  683    H    TRP  88           HN       TRP  88  -4.481  11.576   1.144
  684    HA   TRP  88           HA       TRP  88  -1.861  10.824   1.618
  685   1HB   TRP  88           HB2      TRP  88  -1.659  13.026   2.451
  686   2HB   TRP  88           HB1      TRP  88  -2.933  13.116   1.266
  687    HD1  TRP  88           HD1      TRP  88  -5.409  12.198   2.735
  688    HE1  TRP  88           HE1      TRP  88  -6.369  13.475   4.758
  689    HE3  TRP  88           HE3      TRP  88  -1.247  14.759   4.221
  690    HZ2  TRP  88           HZ2      TRP  88  -5.490  15.336   6.744
  691    HZ3  TRP  88           HZ3      TRP  88  -1.337  16.277   6.177
  692    HH2  TRP  88           HH2      TRP  88  -3.451  16.567   7.440
  693    H    LYS  89           HN       LYS  89  -1.334  11.948   4.210
  694    HA   LYS  89           HA       LYS  89  -1.540   9.655   5.884
  695   1HB   LYS  89           HB2      LYS  89  -0.335  12.197   6.030
  696   2HB   LYS  89           HB1      LYS  89  -1.412  12.109   7.425
  697   1HG   LYS  89           HG2      LYS  89  -0.254   9.599   7.397
  698   2HG   LYS  89           HG1      LYS  89   1.075  10.645   6.895
  699   1HD   LYS  89           HD2      LYS  89  -0.650  11.067   9.354
  700   2HD   LYS  89           HD1      LYS  89   0.989  10.414   9.359
  701   1HE   LYS  89           HE2      LYS  89   1.300  12.723   7.895
  702   2HE   LYS  89           HE1      LYS  89   0.085  13.200   9.081
  703   1HZ   LYS  89           HZ3      LYS  89   1.958  11.724  10.464
  704   2HZ   LYS  89           HZ2      LYS  89   2.858  12.747   9.449
  705   3HZ   LYS  89           HZ1      LYS  89   1.726  13.402  10.534
  706    H    ASN  90           HN       ASN  90  -2.528  10.867   8.340
  707    HA   ASN  90           HA       ASN  90  -5.448  10.770   7.719
  708   1HB   ASN  90           HB2      ASN  90  -4.508   9.022   9.265
  709   2HB   ASN  90           HB1      ASN  90  -4.086  10.315  10.389
  710   1HD2  ASN  90          HD22      ASN  90  -7.316  10.318  11.765
  711   2HD2  ASN  90          HD21      ASN  90  -5.649  10.553  11.985
   
  No H/Q in entry =         711
  Start of MODEL    3
    1   1H    MET   1           HT2      MET   1  -2.175  19.899   3.785
    2   2H    MET   1           HT1      MET   1  -1.259  21.126   3.049
    3   3H    MET   1           HT3      MET   1  -2.043  19.965   2.092
    4    HA   MET   1           HA       MET   1   0.037  19.091   2.051
    5   1HB   MET   1           HB2      MET   1   1.464  19.206   4.224
    6   2HB   MET   1           HB1      MET   1   1.261  20.681   3.278
    7   1HG   MET   1           HG2      MET   1  -0.953  20.527   5.056
    8   2HG   MET   1           HG1      MET   1   0.495  20.187   6.003
    9   1HE   MET   1           HE2      MET   1  -0.951  22.334   6.945
   10   2HE   MET   1           HE1      MET   1   0.731  22.389   7.466
   11   3HE   MET   1           HE3      MET   1  -0.064  23.855   6.877
   12    H    SER   2           HN       SER   2  -2.494  17.906   2.858
   13    HA   SER   2           HA       SER   2  -1.422  15.674   4.536
   14   1HB   SER   2           HB2      SER   2  -3.544  17.392   5.202
   15   2HB   SER   2           HB1      SER   2  -4.313  15.901   4.662
   16    HG   SER   2           HG       SER   2  -2.444  16.309   6.740
   17    H    SER   3           HN       SER   3  -0.961  15.146   2.072
   18    HA   SER   3           HA       SER   3  -3.277  13.516   1.117
   19   1HB   SER   3           HB2      SER   3  -1.320  14.979  -0.675
   20   2HB   SER   3           HB1      SER   3  -2.747  14.076  -1.178
   21    HG   SER   3           HG       SER   3  -3.306  16.222  -1.099
   22    H    LEU   4           HN       LEU   4  -0.966  12.707   2.749
   23    HA   LEU   4           HA       LEU   4   0.318  10.850   0.790
   24   1HB   LEU   4           HB2      LEU   4   2.178  10.809   2.615
   25   2HB   LEU   4           HB1      LEU   4   2.106  12.185   1.517
   26    HG   LEU   4           HG       LEU   4   0.449  12.402   3.965
   27   1HD1  LEU   4          HD11      LEU   4   3.140  11.544   4.183
   28   2HD1  LEU   4          HD13      LEU   4   3.128  13.260   4.592
   29   3HD1  LEU   4          HD12      LEU   4   2.095  12.136   5.474
   30   1HD2  LEU   4          HD21      LEU   4   1.167  14.086   1.969
   31   2HD2  LEU   4          HD23      LEU   4   0.755  14.644   3.590
   32   3HD2  LEU   4          HD22      LEU   4   2.445  14.440   3.131
   33    H    VAL   5           HN       VAL   5   1.091   8.788   1.918
   34    HA   VAL   5           HA       VAL   5  -0.734   8.031   4.137
   35    HB   VAL   5           HB       VAL   5  -1.480   6.152   3.012
   36   1HG1  VAL   5          HG12      VAL   5  -1.983   8.383   1.788
   37   2HG1  VAL   5          HG11      VAL   5  -0.865   7.777   0.566
   38   3HG1  VAL   5          HG13      VAL   5  -2.329   6.871   0.949
   39   1HG2  VAL   5          HG23      VAL   5   1.196   6.236   1.754
   40   2HG2  VAL   5          HG22      VAL   5   0.253   4.847   2.291
   41   3HG2  VAL   5          HG21      VAL   5  -0.093   5.597   0.734
   42    H    TYR   6           HN       TYR   6   0.034   5.625   4.806
   43    HA   TYR   6           HA       TYR   6   2.966   5.352   4.688
   44   1HB   TYR   6           HB2      TYR   6   2.969   6.680   6.620
   45   2HB   TYR   6           HB1      TYR   6   1.421   6.050   7.167
   46    HD1  TYR   6           HD1      TYR   6   1.278   3.682   8.032
   47    HD2  TYR   6           HD2      TYR   6   5.022   5.637   7.248
   48    HE1  TYR   6           HE1      TYR   6   2.449   1.993   9.420
   49    HE2  TYR   6           HE2      TYR   6   6.194   3.947   8.635
   50    HH   TYR   6           HH       TYR   6   5.903   2.283  10.136
   51    H    ILE   7           HN       ILE   7   3.576   3.197   4.955
   52    HA   ILE   7           HA       ILE   7   1.743   1.203   6.060
   53    HB   ILE   7           HB       ILE   7   1.357  -0.044   4.039
   54   1HG1  ILE   7          HG12      ILE   7   2.302   1.287   1.869
   55   2HG1  ILE   7          HG11      ILE   7   3.566   1.667   3.039
   56   1HG2  ILE   7          HG22      ILE   7  -0.133   1.924   4.347
   57   2HG2  ILE   7          HG21      ILE   7   0.971   2.890   3.368
   58   3HG2  ILE   7          HG23      ILE   7   0.105   1.536   2.646
   59   1HD1  ILE   7          HD13      ILE   7   2.561  -1.134   2.467
   60   2HD1  ILE   7          HD12      ILE   7   4.017  -0.438   1.757
   61   3HD1  ILE   7          HD11      ILE   7   3.921  -0.694   3.499
   62    H    ALA   8           HN       ALA   8   2.883  -0.945   6.153
   63    HA   ALA   8           HA       ALA   8   5.662  -0.999   5.218
   64   1HB   ALA   8           HB1      ALA   8   5.414   0.309   7.533
   65   2HB   ALA   8           HB3      ALA   8   5.427  -1.334   8.173
   66   3HB   ALA   8           HB2      ALA   8   6.786  -0.752   7.210
   67    H    PHE   9           HN       PHE   9   6.489  -3.124   5.216
   68    HA   PHE   9           HA       PHE   9   4.852  -5.228   6.494
   69   1HB   PHE   9           HB2      PHE   9   4.918  -6.473   4.307
   70   2HB   PHE   9           HB1      PHE   9   3.884  -5.049   4.287
   71    HD1  PHE   9           HD1      PHE   9   5.135  -2.803   3.610
   72    HD2  PHE   9           HD2      PHE   9   6.464  -6.759   2.610
   73    HE1  PHE   9           HE1      PHE   9   6.490  -1.877   1.760
   74    HE2  PHE   9           HE2      PHE   9   7.819  -5.839   0.758
   75    HZ   PHE   9           HZ       PHE   9   7.835  -3.393   0.324
   76    H    GLN  10           HN       GLN  10   6.067  -7.432   5.542
   77    HA   GLN  10           HA       GLN  10   9.001  -7.031   5.593
   78   1HB   GLN  10           HB2      GLN  10   8.036  -7.288   8.005
   79   2HB   GLN  10           HB1      GLN  10   7.816  -8.981   7.563
   80   1HG   GLN  10           HG2      GLN  10  10.454  -7.577   7.150
   81   2HG   GLN  10           HG1      GLN  10  10.046  -8.321   8.695
   82   1HE2  GLN  10          HE22      GLN  10  10.796 -10.698   5.440
   83   2HE2  GLN  10          HE21      GLN  10  10.480  -9.047   5.220
   84    H    ASP  11           HN       ASP  11   9.219  -8.004   3.600
   85    HA   ASP  11           HA       ASP  11   8.095 -10.755   3.280
   86   1HB   ASP  11           HB2      ASP  11   7.402  -9.123   1.559
   87   2HB   ASP  11           HB1      ASP  11   9.095  -8.801   1.183
   88    H    ASN  12           HN       ASN  12   9.511 -12.467   2.990
   89    HA   ASN  12           HA       ASN  12  12.312 -12.053   3.609
   90   1HB   ASN  12           HB2      ASN  12  10.779 -14.160   3.999
   91   2HB   ASN  12           HB1      ASN  12  11.290 -14.589   2.367
   92   1HD2  ASN  12          HD22      ASN  12  13.833 -15.180   5.418
   93   2HD2  ASN  12          HD21      ASN  12  12.197 -14.788   5.643
   94    H    ASP  13           HN       ASP  13  10.474 -12.468   0.632
   95    HA   ASP  13           HA       ASP  13  12.615 -13.076  -1.111
   96   1HB   ASP  13           HB2      ASP  13   9.906 -12.531  -1.405
   97   2HB   ASP  13           HB1      ASP  13  10.682 -11.187  -2.242
   98    H    ASN  14           HN       ASN  14  14.487 -11.925  -0.978
   99    HA   ASN  14           HA       ASN  14  14.703  -9.193  -0.218
  100   1HB   ASN  14           HB2      ASN  14  16.483 -11.247  -0.793
  101   2HB   ASN  14           HB1      ASN  14  16.774 -10.086  -2.090
  102   1HD2  ASN  14          HD22      ASN  14  17.775  -9.118   1.753
  103   2HD2  ASN  14          HD21      ASN  14  16.877 -10.523   1.433
  104    H    ALA  15           HN       ALA  15  13.499 -10.606  -3.064
  105    HA   ALA  15           HA       ALA  15  14.330  -8.839  -5.075
  106   1HB   ALA  15           HB1      ALA  15  11.884 -10.478  -4.607
  107   2HB   ALA  15           HB3      ALA  15  11.793  -9.231  -5.852
  108   3HB   ALA  15           HB2      ALA  15  13.007 -10.506  -5.967
  109    H    ARG  16           HN       ARG  16  12.038  -8.384  -2.478
  110    HA   ARG  16           HA       ARG  16  10.847  -5.959  -3.463
  111   1HB   ARG  16           HB2      ARG  16  11.210  -7.021  -0.648
  112   2HB   ARG  16           HB1      ARG  16  10.212  -5.627  -1.063
  113   1HG   ARG  16           HG2      ARG  16   9.808  -8.298  -2.404
  114   2HG   ARG  16           HG1      ARG  16   9.029  -7.917  -0.869
  115   1HD   ARG  16           HD2      ARG  16   8.635  -5.678  -2.554
  116   2HD   ARG  16           HD1      ARG  16   8.268  -7.101  -3.526
  117    HE   ARG  16           HE       ARG  16   6.571  -6.018  -1.547
  118   1HH1  ARG  16          HH21      ARG  16   7.960  -9.087  -2.378
  119   2HH1  ARG  16          HH22      ARG  16   6.825  -9.983  -1.431
  120   1HH2  ARG  16          HH11      ARG  16   5.089  -7.193  -0.350
  121   2HH2  ARG  16          HH12      ARG  16   5.201  -8.920  -0.299
  122    H    TYR  17           HN       TYR  17  13.575  -6.603  -1.255
  123    HA   TYR  17           HA       TYR  17  14.228  -3.936  -0.609
  124   1HB   TYR  17           HB2      TYR  17  15.411  -6.473  -0.259
  125   2HB   TYR  17           HB1      TYR  17  16.628  -5.488  -1.072
  126    HD1  TYR  17           HD2      TYR  17  16.815  -2.993  -0.145
  127    HD2  TYR  17           HD1      TYR  17  15.272  -6.336   2.066
  128    HE1  TYR  17           HE2      TYR  17  17.281  -1.802   1.979
  129    HE2  TYR  17           HE1      TYR  17  15.739  -5.147   4.192
  130    HH   TYR  17           HH       TYR  17  17.499  -3.210   4.864
  131    H    VAL  18           HN       VAL  18  15.251  -5.890  -3.418
  132    HA   VAL  18           HA       VAL  18  16.975  -3.999  -4.618
  133    HB   VAL  18           HB       VAL  18  15.125  -6.075  -5.815
  134   1HG1  VAL  18          HG12      VAL  18  16.663  -3.919  -7.120
  135   2HG1  VAL  18          HG11      VAL  18  16.977  -5.530  -7.764
  136   3HG1  VAL  18          HG13      VAL  18  15.333  -4.892  -7.748
  137   1HG2  VAL  18          HG21      VAL  18  18.100  -5.876  -5.284
  138   2HG2  VAL  18          HG23      VAL  18  16.961  -7.043  -4.614
  139   3HG2  VAL  18          HG22      VAL  18  17.399  -7.118  -6.320
  140    H    VAL  19           HN       VAL  19  13.517  -4.525  -5.425
  141    HA   VAL  19           HA       VAL  19  13.185  -2.225  -7.018
  142    HB   VAL  19           HB       VAL  19  11.174  -3.471  -5.113
  143   1HG1  VAL  19          HG11      VAL  19  11.001  -1.393  -7.270
  144   2HG1  VAL  19          HG13      VAL  19   9.648  -2.503  -7.048
  145   3HG1  VAL  19          HG12      VAL  19  10.165  -1.466  -5.718
  146   1HG2  VAL  19          HG23      VAL  19  12.402  -4.408  -7.546
  147   2HG2  VAL  19          HG22      VAL  19  11.189  -5.210  -6.547
  148   3HG2  VAL  19          HG21      VAL  19  10.687  -4.117  -7.836
  149    H    GLU  20           HN       GLU  20  13.569  -2.524  -3.582
  150    HA   GLU  20           HA       GLU  20  12.421   0.004  -2.820
  151   1HB   GLU  20           HB2      GLU  20  13.386  -2.130  -1.436
  152   2HB   GLU  20           HB1      GLU  20  14.733  -1.003  -1.262
  153   1HG   GLU  20           HG2      GLU  20  13.514  -0.174   0.473
  154   2HG   GLU  20           HG1      GLU  20  12.605   0.648  -0.796
  155    H    ALA  21           HN       ALA  21  15.832  -0.980  -3.319
  156    HA   ALA  21           HA       ALA  21  16.997   1.569  -3.024
  157   1HB   ALA  21           HB2      ALA  21  18.245  -0.598  -3.291
  158   2HB   ALA  21           HB1      ALA  21  17.863  -0.551  -5.012
  159   3HB   ALA  21           HB3      ALA  21  18.874   0.706  -4.298
  160    H    ILE  22           HN       ILE  22  15.363   0.131  -5.814
  161    HA   ILE  22           HA       ILE  22  16.081   2.163  -7.707
  162    HB   ILE  22           HB       ILE  22  13.520   0.539  -7.645
  163   1HG1  ILE  22          HG12      ILE  22  16.168  -0.153  -8.955
  164   2HG1  ILE  22          HG11      ILE  22  15.626  -0.835  -7.421
  165   1HG2  ILE  22          HG22      ILE  22  14.044   2.580  -9.276
  166   2HG2  ILE  22          HG21      ILE  22  14.987   1.353 -10.123
  167   3HG2  ILE  22          HG23      ILE  22  13.257   1.119  -9.871
  168   1HD1  ILE  22          HD11      ILE  22  13.430  -1.184  -9.083
  169   2HD1  ILE  22          HD13      ILE  22  14.799  -1.507 -10.147
  170   3HD1  ILE  22          HD12      ILE  22  14.603  -2.430  -8.656
  171    H    ILE  23           HN       ILE  23  13.265   1.806  -5.543
  172    HA   ILE  23           HA       ILE  23  11.809   4.075  -6.325
  173    HB   ILE  23           HB       ILE  23  12.229   2.932  -3.545
  174   1HG1  ILE  23          HG12      ILE  23   9.902   2.643  -5.468
  175   2HG1  ILE  23          HG11      ILE  23  11.204   1.461  -5.329
  176   1HG2  ILE  23          HG22      ILE  23  11.430   5.314  -3.549
  177   2HG2  ILE  23          HG21      ILE  23  10.046   4.800  -4.514
  178   3HG2  ILE  23          HG23      ILE  23  10.259   4.180  -2.877
  179   1HD1  ILE  23          HD13      ILE  23  10.682   1.192  -2.919
  180   2HD1  ILE  23          HD12      ILE  23   9.349   2.333  -3.093
  181   3HD1  ILE  23          HD11      ILE  23   9.300   0.784  -3.935
  182    H    GLN  24           HN       GLN  24  14.468   3.896  -3.936
  183    HA   GLN  24           HA       GLN  24  14.490   6.709  -3.370
  184   1HB   GLN  24           HB2      GLN  24  16.014   4.415  -2.613
  185   2HB   GLN  24           HB1      GLN  24  17.150   5.625  -3.211
  186   1HG   GLN  24           HG2      GLN  24  15.296   7.054  -1.649
  187   2HG   GLN  24           HG1      GLN  24  15.662   5.597  -0.725
  188   1HE2  GLN  24          HE22      GLN  24  18.294   8.060   0.160
  189   2HE2  GLN  24          HE21      GLN  24  16.618   7.919   0.389
  190    H    ASP  25           HN       ASP  25  15.889   4.758  -5.944
  191    HA   ASP  25           HA       ASP  25  17.784   6.531  -7.011
  192   1HB   ASP  25           HB2      ASP  25  16.696   4.176  -7.863
  193   2HB   ASP  25           HB1      ASP  25  15.962   5.306  -9.002
  194    H    ASN  26           HN       ASN  26  14.273   6.649  -7.083
  195    HA   ASN  26           HA       ASN  26  14.186   8.919  -8.924
  196   1HB   ASN  26           HB2      ASN  26  12.033   7.822  -7.090
  197   2HB   ASN  26           HB1      ASN  26  11.789   8.925  -8.443
  198   1HD2  ASN  26          HD22      ASN  26  12.324   4.940  -9.151
  199   2HD2  ASN  26          HD21      ASN  26  12.528   5.569  -7.588
  200    HA   PRO  27           HA       PRO  27  14.781  11.734  -5.600
  201   1HB   PRO  27           HB2      PRO  27  14.258  14.015  -7.261
  202   2HB   PRO  27           HB1      PRO  27  15.829  13.385  -6.750
  203   1HG   PRO  27           HG2      PRO  27  14.639  13.249  -9.371
  204   2HG   PRO  27           HG1      PRO  27  16.221  12.644  -8.861
  205   1HD   PRO  27           HD2      PRO  27  13.872  11.111  -9.495
  206   2HD   PRO  27           HD1      PRO  27  15.452  10.510  -8.960
  207    H    HIS  28           HN       HIS  28  12.194  10.591  -5.741
  208    HA   HIS  28           HA       HIS  28  10.574  12.864  -4.782
  209   1HB   HIS  28           HB2      HIS  28  10.242  12.341  -7.339
  210   2HB   HIS  28           HB1      HIS  28   9.316  10.969  -6.736
  211    HD1  HIS  28           HD1      HIS  28   8.423  13.935  -8.069
  212    HD2  HIS  28           HD2      HIS  28   7.753  12.441  -4.234
  213    HE1  HIS  28           HE1      HIS  28   6.439  15.207  -7.140
  214    H    ALA  29           HN       ALA  29  10.409   9.384  -5.614
  215    HA   ALA  29           HA       ALA  29   8.536   8.723  -3.550
  216   1HB   ALA  29           HB2      ALA  29   9.460   7.350  -5.635
  217   2HB   ALA  29           HB1      ALA  29  10.590   6.731  -4.431
  218   3HB   ALA  29           HB3      ALA  29   8.854   6.520  -4.202
  219    H    VAL  30           HN       VAL  30   8.871   8.142  -1.400
  220    HA   VAL  30           HA       VAL  30  11.620   8.624  -0.368
  221    HB   VAL  30           HB       VAL  30   9.708   9.928   0.599
  222   1HG1  VAL  30          HG13      VAL  30   8.497   7.363   0.614
  223   2HG1  VAL  30          HG12      VAL  30   8.697   7.836   2.302
  224   3HG1  VAL  30          HG11      VAL  30   7.807   8.880   1.193
  225   1HG2  VAL  30          HG22      VAL  30  11.873   9.068   1.847
  226   2HG2  VAL  30          HG21      VAL  30  10.578   9.841   2.762
  227   3HG2  VAL  30          HG23      VAL  30  10.717   8.083   2.744
  228    H    VAL  31           HN       VAL  31  12.436   7.149   1.312
  229    HA   VAL  31           HA       VAL  31  11.185   4.447   1.289
  230    HB   VAL  31           HB       VAL  31  14.167   4.685   1.062
  231   1HG1  VAL  31          HG13      VAL  31  12.826   2.541   1.562
  232   2HG1  VAL  31          HG12      VAL  31  12.289   2.632  -0.116
  233   3HG1  VAL  31          HG11      VAL  31  14.005   2.459   0.253
  234   1HG2  VAL  31          HG22      VAL  31  12.152   4.899  -1.192
  235   2HG2  VAL  31          HG21      VAL  31  13.465   6.014  -0.813
  236   3HG2  VAL  31          HG23      VAL  31  13.827   4.409  -1.450
  237    H    GLN  32           HN       GLN  32  11.630   3.233   3.187
  238    HA   GLN  32           HA       GLN  32  13.318   4.515   5.264
  239   1HB   GLN  32           HB2      GLN  32  10.557   4.863   5.259
  240   2HB   GLN  32           HB1      GLN  32  10.803   3.518   6.375
  241   1HG   GLN  32           HG2      GLN  32  11.790   4.840   7.928
  242   2HG   GLN  32           HG1      GLN  32  12.755   5.685   6.717
  243   1HE2  GLN  32          HE22      GLN  32  10.600   8.395   7.720
  244   2HE2  GLN  32          HE21      GLN  32  12.090   7.663   8.073
  245    H    HIS  33           HN       HIS  33  13.880   2.204   3.785
  246    HA   HIS  33           HA       HIS  33  13.051  -0.275   4.689
  247   1HB   HIS  33           HB2      HIS  33  15.249  -1.123   4.127
  248   2HB   HIS  33           HB1      HIS  33  14.849   0.153   2.979
  249    HD1  HIS  33           HD1      HIS  33  17.334  -0.811   5.505
  250    HD2  HIS  33           HD2      HIS  33  16.154   2.719   3.629
  251    HE1  HIS  33           HE1      HIS  33  19.180   0.872   5.920
  252    H    HIS  34           HN       HIS  34  13.352  -1.511   6.542
  253    HA   HIS  34           HA       HIS  34  14.560  -0.065   8.851
  254   1HB   HIS  34           HB2      HIS  34  12.187  -1.657   8.519
  255   2HB   HIS  34           HB1      HIS  34  13.235  -2.421   9.716
  256    HD1  HIS  34           HD1      HIS  34  11.432  -1.636  11.537
  257    HD2  HIS  34           HD2      HIS  34  13.490   1.443   9.622
  258    HE1  HIS  34           HE1      HIS  34  11.054   0.451  12.923
  259    HA   PRO  35           HA       PRO  35  17.660  -3.064   9.301
  260   1HB   PRO  35           HB2      PRO  35  17.262  -3.829  12.043
  261   2HB   PRO  35           HB1      PRO  35  18.419  -2.656  11.398
  262   1HG   PRO  35           HG2      PRO  35  16.031  -2.117  12.910
  263   2HG   PRO  35           HG1      PRO  35  17.180  -0.948  12.246
  264   1HD   PRO  35           HD2      PRO  35  14.512  -1.528  11.323
  265   2HD   PRO  35           HD1      PRO  35  15.659  -0.340  10.675
  266    H    ALA  36           HN       ALA  36  14.514  -4.107  10.487
  267    HA   ALA  36           HA       ALA  36  15.255  -6.908   9.736
  268   1HB   ALA  36           HB2      ALA  36  14.640  -6.147  12.265
  269   2HB   ALA  36           HB1      ALA  36  13.025  -6.499  11.652
  270   3HB   ALA  36           HB3      ALA  36  14.270  -7.748  11.625
  271    H    MET  37           HN       MET  37  12.843  -4.351   9.664
  272    HA   MET  37           HA       MET  37  11.239  -6.024   7.767
  273   1HB   MET  37           HB2      MET  37  10.370  -3.811   9.646
  274   2HB   MET  37           HB1      MET  37   9.329  -4.504   8.403
  275   1HG   MET  37           HG2      MET  37   8.808  -6.204   9.776
  276   2HG   MET  37           HG1      MET  37  10.511  -6.657   9.868
  277   1HE   MET  37           HE1      MET  37   9.075  -7.536  11.801
  278   2HE   MET  37           HE3      MET  37  10.489  -7.299  12.836
  279   3HE   MET  37           HE2      MET  37   8.904  -6.734  13.359
  280    H    ILE  38           HN       ILE  38   9.715  -4.080   6.589
  281    HA   ILE  38           HA       ILE  38  11.611  -2.030   5.569
  282    HB   ILE  38           HB       ILE  38  11.052  -2.576   3.246
  283   1HG1  ILE  38          HG12      ILE  38   9.361  -4.746   4.528
  284   2HG1  ILE  38          HG11      ILE  38   8.795  -3.421   3.514
  285   1HG2  ILE  38          HG23      ILE  38  11.922  -4.995   4.861
  286   2HG2  ILE  38          HG22      ILE  38  12.159  -4.799   3.124
  287   3HG2  ILE  38          HG21      ILE  38  12.978  -3.719   4.253
  288   1HD1  ILE  38          HD12      ILE  38  10.869  -5.215   2.343
  289   2HD1  ILE  38          HD11      ILE  38   9.247  -5.877   2.527
  290   3HD1  ILE  38          HD13      ILE  38   9.500  -4.420   1.569
  291    H    ARG  39           HN       ARG  39  10.556  -0.136   5.901
  292    HA   ARG  39           HA       ARG  39   7.581  -0.140   5.632
  293   1HB   ARG  39           HB2      ARG  39   9.007   2.110   6.978
  294   2HB   ARG  39           HB1      ARG  39   7.438   1.393   7.346
  295   1HG   ARG  39           HG2      ARG  39   8.787  -0.705   8.043
  296   2HG   ARG  39           HG1      ARG  39  10.183   0.374   8.069
  297   1HD   ARG  39           HD2      ARG  39   9.562   1.111  10.102
  298   2HD   ARG  39           HD1      ARG  39   8.055   1.709   9.410
  299    HE   ARG  39           HE       ARG  39   7.609  -1.011   9.771
  300   1HH1  ARG  39          HH21      ARG  39   8.648   1.650  11.715
  301   2HH1  ARG  39          HH22      ARG  39   7.968   1.015  13.175
  302   1HH2  ARG  39          HH11      ARG  39   6.719  -1.846  11.669
  303   2HH2  ARG  39          HH12      ARG  39   6.877  -0.961  13.150
  304    H    ILE  40           HN       ILE  40   6.603   1.384   4.339
  305    HA   ILE  40           HA       ILE  40   8.243   3.451   3.022
  306    HB   ILE  40           HB       ILE  40   6.540   1.510   1.433
  307   1HG1  ILE  40          HG12      ILE  40   8.565   0.434   2.449
  308   2HG1  ILE  40          HG11      ILE  40   8.629   0.500   0.687
  309   1HG2  ILE  40          HG23      ILE  40   8.361   3.820   0.757
  310   2HG2  ILE  40          HG22      ILE  40   7.994   2.567  -0.428
  311   3HG2  ILE  40          HG21      ILE  40   6.694   3.551   0.246
  312   1HD1  ILE  40          HD12      ILE  40   9.747   2.874   2.037
  313   2HD1  ILE  40          HD11      ILE  40  10.634   1.379   2.334
  314   3HD1  ILE  40          HD13      ILE  40  10.387   1.944   0.682
  315    H    GLU  41           HN       GLU  41   6.924   5.179   2.147
  316    HA   GLU  41           HA       GLU  41   4.027   5.059   2.916
  317   1HB   GLU  41           HB2      GLU  41   4.504   7.661   3.268
  318   2HB   GLU  41           HB1      GLU  41   4.760   6.501   4.571
  319   1HG   GLU  41           HG2      GLU  41   7.156   6.305   3.828
  320   2HG   GLU  41           HG1      GLU  41   6.856   7.621   2.691
  321    H    ALA  42           HN       ALA  42   2.915   7.098   1.797
  322    HA   ALA  42           HA       ALA  42   4.090   7.444  -0.925
  323   1HB   ALA  42           HB1      ALA  42   1.468   6.289  -0.157
  324   2HB   ALA  42           HB3      ALA  42   1.440   7.439  -1.494
  325   3HB   ALA  42           HB2      ALA  42   2.450   5.996  -1.592
  326    H    GLU  43           HN       GLU  43   2.546   9.191  -2.095
  327    HA   GLU  43           HA       GLU  43   1.833  11.325  -0.149
  328   1HB   GLU  43           HB2      GLU  43   3.541  11.850  -2.595
  329   2HB   GLU  43           HB1      GLU  43   3.141  12.982  -1.302
  330   1HG   GLU  43           HG2      GLU  43   4.288  11.274   0.273
  331   2HG   GLU  43           HG1      GLU  43   4.980  10.594  -1.200
  332    H    LYS  44           HN       LYS  44  -0.178  10.018  -1.234
  333    HA   LYS  44           HA       LYS  44  -1.278  11.923  -3.195
  334   1HB   LYS  44           HB2      LYS  44  -0.461   9.157  -3.865
  335   2HB   LYS  44           HB1      LYS  44  -2.070   9.623  -4.416
  336   1HG   LYS  44           HG2      LYS  44   0.462  11.213  -4.929
  337   2HG   LYS  44           HG1      LYS  44  -0.315  10.149  -6.102
  338   1HD   LYS  44           HD2      LYS  44  -1.744  11.786  -6.680
  339   2HD   LYS  44           HD1      LYS  44  -2.293  11.920  -5.009
  340   1HE   LYS  44           HE2      LYS  44  -1.415  14.074  -5.678
  341   2HE   LYS  44           HE1      LYS  44  -0.279  13.354  -4.537
  342   1HZ   LYS  44           HZ1      LYS  44   0.391  12.486  -7.109
  343   2HZ   LYS  44           HZ3      LYS  44   0.192  14.169  -7.174
  344   3HZ   LYS  44           HZ2      LYS  44   1.289  13.486  -6.071
  345    H    ARG  45           HN       ARG  45  -3.586  10.546  -3.873
  346    HA   ARG  45           HA       ARG  45  -4.795   9.679  -1.297
  347   1HB   ARG  45           HB2      ARG  45  -6.652  11.209  -1.551
  348   2HB   ARG  45           HB1      ARG  45  -5.162  12.154  -1.642
  349   1HG   ARG  45           HG2      ARG  45  -5.275  11.836  -4.170
  350   2HG   ARG  45           HG1      ARG  45  -6.916  11.237  -3.925
  351   1HD   ARG  45           HD2      ARG  45  -7.722  13.323  -3.631
  352   2HD   ARG  45           HD1      ARG  45  -6.464  13.719  -2.465
  353    HE   ARG  45           HE       ARG  45  -6.563  14.664  -5.130
  354   1HH1  ARG  45          HH21      ARG  45  -4.313  13.107  -3.003
  355   2HH1  ARG  45          HH22      ARG  45  -2.936  13.545  -3.951
  356   1HH2  ARG  45          HH11      ARG  45  -4.765  15.248  -6.343
  357   2HH2  ARG  45          HH12      ARG  45  -3.186  14.758  -5.826
  358    H    LEU  46           HN       LEU  46  -7.384   9.323  -2.056
  359    HA   LEU  46           HA       LEU  46  -7.517   8.080  -4.699
  360   1HB   LEU  46           HB2      LEU  46  -7.327   6.468  -2.174
  361   2HB   LEU  46           HB1      LEU  46  -8.249   5.859  -3.548
  362    HG   LEU  46           HG       LEU  46  -5.335   6.645  -3.543
  363   1HD1  LEU  46          HD13      LEU  46  -6.752   4.175  -3.062
  364   2HD1  LEU  46          HD12      LEU  46  -5.778   4.032  -4.525
  365   3HD1  LEU  46          HD11      LEU  46  -5.017   4.480  -2.999
  366   1HD2  LEU  46          HD23      LEU  46  -7.329   6.302  -5.676
  367   2HD2  LEU  46          HD22      LEU  46  -5.781   7.147  -5.707
  368   3HD2  LEU  46          HD21      LEU  46  -5.835   5.396  -5.917
  369    H    GLU  47           HN       GLU  47  -9.689   7.338  -5.217
  370    HA   GLU  47           HA       GLU  47 -11.853   7.715  -3.300
  371   1HB   GLU  47           HB2      GLU  47 -11.566  10.045  -3.858
  372   2HB   GLU  47           HB1      GLU  47 -11.464   9.673  -5.580
  373   1HG   GLU  47           HG2      GLU  47 -13.885   8.531  -4.635
  374   2HG   GLU  47           HG1      GLU  47 -13.809  10.173  -3.996
  375    H    ILE  48           HN       ILE  48 -13.665   6.548  -3.969
  376    HA   ILE  48           HA       ILE  48 -13.955   5.792  -6.800
  377    HB   ILE  48           HB       ILE  48 -14.197   3.316  -5.519
  378   1HG1  ILE  48          HG12      ILE  48 -11.547   4.583  -4.762
  379   2HG1  ILE  48          HG11      ILE  48 -12.875   4.355  -3.625
  380   1HG2  ILE  48          HG23      ILE  48 -13.225   4.167  -7.809
  381   2HG2  ILE  48          HG22      ILE  48 -11.689   4.112  -6.945
  382   3HG2  ILE  48          HG21      ILE  48 -12.656   2.647  -7.118
  383   1HD1  ILE  48          HD11      ILE  48 -12.693   1.865  -4.760
  384   2HD1  ILE  48          HD13      ILE  48 -11.005   2.374  -4.745
  385   3HD1  ILE  48          HD12      ILE  48 -11.925   2.327  -3.241
  386    H    ARG  49           HN       ARG  49 -16.093   5.256  -7.290
  387    HA   ARG  49           HA       ARG  49 -17.979   5.485  -5.007
  388   1HB   ARG  49           HB2      ARG  49 -19.645   5.636  -7.079
  389   2HB   ARG  49           HB1      ARG  49 -18.744   7.045  -6.521
  390   1HG   ARG  49           HG2      ARG  49 -16.992   6.594  -8.198
  391   2HG   ARG  49           HG1      ARG  49 -17.891   5.181  -8.750
  392   1HD   ARG  49           HD2      ARG  49 -19.342   7.780  -8.647
  393   2HD   ARG  49           HD1      ARG  49 -18.153   7.579  -9.929
  394    HE   ARG  49           HE       ARG  49 -20.773   6.458  -9.893
  395   1HH1  ARG  49          HH21      ARG  49 -17.504   5.524 -10.513
  396   2HH1  ARG  49          HH22      ARG  49 -17.950   4.087 -11.368
  397   1HH2  ARG  49          HH11      ARG  49 -21.358   4.609 -11.013
  398   2HH2  ARG  49          HH12      ARG  49 -20.129   3.572 -11.656
  399    H    ARG  50           HN       ARG  50 -19.144   4.041  -7.936
  400    HA   ARG  50           HA       ARG  50 -19.968   1.657  -6.538
  401   1HB   ARG  50           HB2      ARG  50 -21.074   2.698  -8.601
  402   2HB   ARG  50           HB1      ARG  50 -19.775   1.962  -9.542
  403   1HG   ARG  50           HG2      ARG  50 -20.572  -0.163  -9.237
  404   2HG   ARG  50           HG1      ARG  50 -21.154   0.181  -7.607
  405   1HD   ARG  50           HD2      ARG  50 -22.622   1.741  -9.560
  406   2HD   ARG  50           HD1      ARG  50 -22.704   0.022  -9.948
  407    HE   ARG  50           HE       ARG  50 -23.222   0.103  -7.230
  408   1HH1  ARG  50          HH21      ARG  50 -24.475   1.650 -10.055
  409   2HH1  ARG  50          HH22      ARG  50 -26.074   1.814  -9.411
  410   1HH2  ARG  50          HH11      ARG  50 -25.305   0.313  -6.385
  411   2HH2  ARG  50          HH12      ARG  50 -26.543   1.060  -7.339
  412    H    GLU  51           HN       GLU  51 -16.972   2.598  -7.711
  413    HA   GLU  51           HA       GLU  51 -15.916   0.262  -8.898
  414   1HB   GLU  51           HB2      GLU  51 -14.463   2.124  -7.002
  415   2HB   GLU  51           HB1      GLU  51 -13.735   1.101  -8.240
  416   1HG   GLU  51           HG2      GLU  51 -15.678   2.591  -9.601
  417   2HG   GLU  51           HG1      GLU  51 -14.911   3.744  -8.507
  418    H    THR  52           HN       THR  52 -17.012   0.779  -5.680
  419    HA   THR  52           HA       THR  52 -15.316  -1.005  -4.263
  420    HB   THR  52           HB       THR  52 -18.194  -1.027  -3.543
  421    HG1  THR  52           HG1      THR  52 -18.171   1.130  -2.966
  422   1HG2  THR  52          HG23      THR  52 -15.526  -0.754  -2.223
  423   2HG2  THR  52          HG22      THR  52 -16.937  -0.102  -1.390
  424   3HG2  THR  52          HG21      THR  52 -16.875  -1.813  -1.812
  425    H    VAL  53           HN       VAL  53 -18.282  -1.641  -6.137
  426    HA   VAL  53           HA       VAL  53 -18.630  -4.357  -5.560
  427    HB   VAL  53           HB       VAL  53 -18.806  -3.064  -8.303
  428   1HG1  VAL  53          HG12      VAL  53 -18.939  -5.729  -7.717
  429   2HG1  VAL  53          HG11      VAL  53 -20.627  -5.257  -7.519
  430   3HG1  VAL  53          HG13      VAL  53 -19.806  -4.969  -9.052
  431   1HG2  VAL  53          HG21      VAL  53 -20.151  -2.230  -6.119
  432   2HG2  VAL  53          HG23      VAL  53 -20.876  -2.243  -7.726
  433   3HG2  VAL  53          HG22      VAL  53 -21.200  -3.563  -6.602
  434    H    GLU  54           HN       GLU  54 -16.183  -2.776  -7.530
  435    HA   GLU  54           HA       GLU  54 -15.077  -5.204  -8.650
  436   1HB   GLU  54           HB2      GLU  54 -14.455  -3.214  -9.782
  437   2HB   GLU  54           HB1      GLU  54 -14.022  -2.395  -8.284
  438   1HG   GLU  54           HG2      GLU  54 -11.905  -3.129  -8.444
  439   2HG   GLU  54           HG1      GLU  54 -12.457  -4.801  -8.540
  440    H    GLU  55           HN       GLU  55 -14.305  -3.189  -5.812
  441    HA   GLU  55           HA       GLU  55 -12.072  -4.592  -4.847
  442   1HB   GLU  55           HB2      GLU  55 -12.843  -2.618  -3.672
  443   2HB   GLU  55           HB1      GLU  55 -14.391  -3.383  -3.308
  444   1HG   GLU  55           HG2      GLU  55 -12.148  -5.015  -2.416
  445   2HG   GLU  55           HG1      GLU  55 -12.122  -3.411  -1.681
  446    H    ASN  56           HN       ASN  56 -15.535  -5.361  -4.419
  447    HA   ASN  56           HA       ASN  56 -15.245  -7.674  -2.814
  448   1HB   ASN  56           HB2      ASN  56 -17.406  -6.494  -3.732
  449   2HB   ASN  56           HB1      ASN  56 -17.223  -7.617  -5.081
  450   1HD2  ASN  56          HD22      ASN  56 -17.523 -10.502  -2.767
  451   2HD2  ASN  56          HD21      ASN  56 -16.406  -9.968  -3.926
  452    H    LEU  57           HN       LEU  57 -15.081  -7.283  -6.349
  453    HA   LEU  57           HA       LEU  57 -14.700  -9.970  -7.112
  454   1HB   LEU  57           HB2      LEU  57 -14.854  -7.942  -8.629
  455   2HB   LEU  57           HB1      LEU  57 -13.187  -7.575  -8.215
  456    HG   LEU  57           HG       LEU  57 -13.178  -8.762 -10.293
  457   1HD1  LEU  57          HD13      LEU  57 -11.523  -9.443  -8.437
  458   2HD1  LEU  57          HD12      LEU  57 -12.484 -10.917  -8.317
  459   3HD1  LEU  57          HD11      LEU  57 -11.680 -10.510  -9.832
  460   1HD2  LEU  57          HD21      LEU  57 -15.476  -9.976  -9.328
  461   2HD2  LEU  57          HD23      LEU  57 -14.653 -10.392 -10.832
  462   3HD2  LEU  57          HD22      LEU  57 -14.305 -11.294  -9.357
  463    H    GLY  58           HN       GLY  58 -12.035  -7.654  -6.826
  464   1HA   GLY  58           HA2      GLY  58  -9.874  -9.333  -6.616
  465   2HA   GLY  58           HA1      GLY  58  -9.975  -7.851  -5.664
  466    H    ARG  59           HN       ARG  59 -12.369  -8.881  -4.182
  467    HA   ARG  59           HA       ARG  59 -11.108  -9.939  -1.900
  468   1HB   ARG  59           HB2      ARG  59 -13.617  -9.127  -2.403
  469   2HB   ARG  59           HB1      ARG  59 -13.876 -10.870  -2.493
  470   1HG   ARG  59           HG2      ARG  59 -13.855 -10.993  -0.251
  471   2HG   ARG  59           HG1      ARG  59 -12.214 -10.349  -0.232
  472   1HD   ARG  59           HD2      ARG  59 -13.951  -8.173  -0.772
  473   2HD   ARG  59           HD1      ARG  59 -14.653  -9.059   0.579
  474    HE   ARG  59           HE       ARG  59 -12.414  -7.341   0.758
  475   1HH1  ARG  59          HH21      ARG  59 -13.301 -10.570   1.654
  476   2HH1  ARG  59          HH22      ARG  59 -12.023 -10.725   2.806
  477   1HH2  ARG  59          HH11      ARG  59 -10.770  -7.544   2.269
  478   2HH2  ARG  59          HH12      ARG  59 -10.602  -9.018   3.163
  479    H    ALA  60           HN       ALA  60 -13.065 -11.784  -4.277
  480    HA   ALA  60           HA       ALA  60 -12.601 -14.368  -3.403
  481   1HB   ALA  60           HB2      ALA  60 -13.164 -13.123  -5.990
  482   2HB   ALA  60           HB1      ALA  60 -12.220 -14.605  -6.154
  483   3HB   ALA  60           HB3      ALA  60 -13.775 -14.637  -5.322
  484    H    TRP  61           HN       TRP  61 -10.352 -12.200  -5.006
  485    HA   TRP  61           HA       TRP  61  -8.255 -14.285  -5.075
  486   1HB   TRP  61           HB2      TRP  61  -8.627 -12.472  -6.897
  487   2HB   TRP  61           HB1      TRP  61  -7.868 -11.370  -5.749
  488    HD1  TRP  61           HD1      TRP  61  -6.968 -15.035  -6.579
  489    HE1  TRP  61           HE1      TRP  61  -4.480 -15.119  -7.249
  490    HE3  TRP  61           HE3      TRP  61  -5.837 -10.059  -6.394
  491    HZ2  TRP  61           HZ2      TRP  61  -2.299 -13.314  -7.652
  492    HZ3  TRP  61           HZ3      TRP  61  -3.549  -9.269  -6.924
  493    HH2  TRP  61           HH2      TRP  61  -1.780 -10.889  -7.553
  494    H    ASP  62           HN       ASP  62  -9.061 -13.892  -2.530
  495    HA   ASP  62           HA       ASP  62  -7.593 -11.832  -1.137
  496   1HB   ASP  62           HB2      ASP  62  -8.332 -13.024   0.899
  497   2HB   ASP  62           HB1      ASP  62  -9.677 -12.770  -0.213
  498    H    VAL  63           HN       VAL  63  -5.523 -12.333  -2.110
  499    HA   VAL  63           HA       VAL  63  -4.119 -14.807  -1.572
  500    HB   VAL  63           HB       VAL  63  -2.873 -12.123  -2.165
  501   1HG1  VAL  63          HG11      VAL  63  -2.093 -14.985  -2.805
  502   2HG1  VAL  63          HG13      VAL  63  -1.203 -13.553  -3.325
  503   3HG1  VAL  63          HG12      VAL  63  -1.324 -13.941  -1.609
  504   1HG2  VAL  63          HG23      VAL  63  -4.730 -13.701  -3.761
  505   2HG2  VAL  63          HG22      VAL  63  -4.071 -12.096  -4.080
  506   3HG2  VAL  63          HG21      VAL  63  -3.170 -13.531  -4.567
  507    H    GLN  64           HN       GLN  64  -5.166 -12.674   0.641
  508    HA   GLN  64           HA       GLN  64  -3.170 -11.703   2.231
  509   1HB   GLN  64           HB2      GLN  64  -5.721 -13.130   2.903
  510   2HB   GLN  64           HB1      GLN  64  -4.611 -12.708   4.207
  511   1HG   GLN  64           HG2      GLN  64  -6.311 -10.929   3.781
  512   2HG   GLN  64           HG1      GLN  64  -4.658 -10.361   3.545
  513   1HE2  GLN  64          HE22      GLN  64  -5.089  -9.725   0.092
  514   2HE2  GLN  64          HE21      GLN  64  -4.017  -9.740   1.408
  515    H    GLU  65           HN       GLU  65  -3.805 -15.103   1.603
  516    HA   GLU  65           HA       GLU  65  -2.344 -16.262   3.742
  517   1HB   GLU  65           HB2      GLU  65  -3.170 -17.099   1.020
  518   2HB   GLU  65           HB1      GLU  65  -1.786 -17.963   1.691
  519   1HG   GLU  65           HG2      GLU  65  -3.045 -18.596   3.654
  520   2HG   GLU  65           HG1      GLU  65  -4.394 -17.564   3.179
  521    H    MET  66           HN       MET  66  -1.185 -15.495   0.441
  522    HA   MET  66           HA       MET  66   1.588 -15.948   1.079
  523   1HB   MET  66           HB2      MET  66   0.028 -15.166  -1.205
  524   2HB   MET  66           HB1      MET  66   1.397 -14.069  -1.037
  525   1HG   MET  66           HG2      MET  66   1.572 -17.097  -1.054
  526   2HG   MET  66           HG1      MET  66   1.994 -16.045  -2.405
  527   1HE   MET  66           HE2      MET  66   3.693 -14.624  -2.665
  528   2HE   MET  66           HE1      MET  66   5.260 -14.670  -1.860
  529   3HE   MET  66           HE3      MET  66   4.684 -16.077  -2.765
  530    H    LEU  67           HN       LEU  67  -0.533 -13.508   1.992
  531    HA   LEU  67           HA       LEU  67   1.308 -11.259   1.971
  532   1HB   LEU  67           HB2      LEU  67  -1.232 -11.133   1.957
  533   2HB   LEU  67           HB1      LEU  67  -1.179 -11.578   3.663
  534    HG   LEU  67           HG       LEU  67   0.589  -9.590   3.760
  535   1HD1  LEU  67          HD13      LEU  67  -1.142  -8.997   1.348
  536   2HD1  LEU  67          HD12      LEU  67  -0.239  -7.761   2.223
  537   3HD1  LEU  67          HD11      LEU  67   0.619  -9.069   1.408
  538   1HD2  LEU  67          HD23      LEU  67  -2.411  -9.579   3.818
  539   2HD2  LEU  67          HD22      LEU  67  -1.271  -9.388   5.149
  540   3HD2  LEU  67          HD21      LEU  67  -1.545  -8.056   4.026
  541    H    VAL  68           HN       VAL  68   1.586 -14.004   3.653
  542    HA   VAL  68           HA       VAL  68   1.738 -13.603   6.359
  543    HB   VAL  68           HB       VAL  68   3.936 -14.831   4.675
  544   1HG1  VAL  68          HG13      VAL  68   3.272 -14.862   7.610
  545   2HG1  VAL  68          HG12      VAL  68   4.096 -16.236   6.873
  546   3HG1  VAL  68          HG11      VAL  68   4.839 -14.637   6.833
  547   1HG2  VAL  68          HG23      VAL  68   1.212 -15.688   5.473
  548   2HG2  VAL  68          HG22      VAL  68   2.195 -16.202   4.102
  549   3HG2  VAL  68          HG21      VAL  68   2.480 -16.892   5.700
  550    H    ASP  69           HN       ASP  69   3.688 -11.958   3.961
  551    HA   ASP  69           HA       ASP  69   5.842 -11.064   5.581
  552   1HB   ASP  69           HB2      ASP  69   4.460  -9.406   3.461
  553   2HB   ASP  69           HB1      ASP  69   6.156  -9.351   3.934
  554    H    VAL  70           HN       VAL  70   6.038  -9.291   7.003
  555    HA   VAL  70           HA       VAL  70   3.943  -8.549   8.661
  556    HB   VAL  70           HB       VAL  70   6.283  -6.851   7.774
  557   1HG1  VAL  70          HG13      VAL  70   4.161  -6.392   9.853
  558   2HG1  VAL  70          HG12      VAL  70   5.769  -5.687  10.019
  559   3HG1  VAL  70          HG11      VAL  70   4.765  -5.274   8.630
  560   1HG2  VAL  70          HG22      VAL  70   6.619  -9.079   9.006
  561   2HG2  VAL  70          HG21      VAL  70   7.371  -7.655   9.725
  562   3HG2  VAL  70          HG23      VAL  70   5.865  -8.289  10.392
  563    H    ILE  71           HN       ILE  71   2.638  -6.537   8.767
  564    HA   ILE  71           HA       ILE  71   2.193  -5.225   6.140
  565    HB   ILE  71           HB       ILE  71  -0.344  -5.452   6.848
  566   1HG1  ILE  71          HG12      ILE  71   0.433  -6.669   8.987
  567   2HG1  ILE  71          HG11      ILE  71  -0.898  -7.390   8.086
  568   1HG2  ILE  71          HG21      ILE  71   1.473  -7.131   5.258
  569   2HG2  ILE  71          HG23      ILE  71  -0.025  -7.940   5.720
  570   3HG2  ILE  71          HG22      ILE  71  -0.082  -6.426   4.816
  571   1HD1  ILE  71          HD11      ILE  71   1.625  -8.349   7.051
  572   2HD1  ILE  71          HD13      ILE  71   1.544  -8.619   8.791
  573   3HD1  ILE  71          HD12      ILE  71   0.289  -9.271   7.739
  574    H    THR  72           HN       THR  72   1.556  -3.065   6.347
  575    HA   THR  72           HA       THR  72   0.595  -2.060   8.920
  576    HB   THR  72           HB       THR  72   2.991  -0.595   7.946
  577    HG1  THR  72           HG1      THR  72   4.200  -2.074   9.386
  578   1HG2  THR  72          HG23      THR  72   1.866  -1.306  10.666
  579   2HG2  THR  72          HG22      THR  72   3.273  -0.278  10.391
  580   3HG2  THR  72          HG21      THR  72   1.681   0.238   9.834
  581    H    ILE  73           HN       ILE  73  -0.412  -0.026   8.725
  582    HA   ILE  73           HA       ILE  73  -0.472   1.137   5.983
  583    HB   ILE  73           HB       ILE  73  -3.014   1.589   6.770
  584   1HG1  ILE  73          HG12      ILE  73  -2.258  -1.101   7.958
  585   2HG1  ILE  73          HG11      ILE  73  -2.729   0.329   8.878
  586   1HG2  ILE  73          HG22      ILE  73  -1.664  -0.518   5.176
  587   2HG2  ILE  73          HG21      ILE  73  -3.350  -0.830   5.591
  588   3HG2  ILE  73          HG23      ILE  73  -2.917   0.627   4.697
  589   1HD1  ILE  73          HD11      ILE  73  -4.522  -0.830   6.744
  590   2HD1  ILE  73          HD13      ILE  73  -4.564  -1.423   8.404
  591   3HD1  ILE  73          HD12      ILE  73  -4.951   0.263   8.060
  592    H    GLY  74           HN       GLY  74  -1.703   3.368   6.144
  593   1HA   GLY  74           HA2      GLY  74  -1.838   4.828   8.557
  594   2HA   GLY  74           HA1      GLY  74  -0.201   5.025   7.931
  595    H    GLY  75           HN       GLY  75  -3.556   5.121   6.695
  596   1HA   GLY  75           HA2      GLY  75  -2.841   7.669   5.321
  597   2HA   GLY  75           HA1      GLY  75  -3.656   6.387   4.421
  598    H    ASN  76           HN       ASN  76  -5.857   6.020   4.786
  599    HA   ASN  76           HA       ASN  76  -7.342   7.077   6.990
  600   1HB   ASN  76           HB2      ASN  76  -6.608   9.165   5.539
  601   2HB   ASN  76           HB1      ASN  76  -7.945   8.651   4.510
  602   1HD2  ASN  76          HD22      ASN  76 -10.451   9.374   6.994
  603   2HD2  ASN  76          HD21      ASN  76 -10.110   8.349   5.684
  604    H    VAL  77           HN       VAL  77  -9.625   6.565   6.786
  605    HA   VAL  77           HA       VAL  77 -10.409   5.152   4.287
  606    HB   VAL  77           HB       VAL  77 -11.570   3.589   6.247
  607   1HG1  VAL  77          HG13      VAL  77  -9.877   3.313   4.042
  608   2HG1  VAL  77          HG12      VAL  77  -9.043   2.488   5.359
  609   3HG1  VAL  77          HG11      VAL  77 -10.685   2.016   4.923
  610   1HG2  VAL  77          HG23      VAL  77  -8.697   4.166   7.025
  611   2HG2  VAL  77          HG22      VAL  77 -10.127   4.576   7.972
  612   3HG2  VAL  77          HG21      VAL  77  -9.703   2.886   7.705
  613    H    ASP  78           HN       ASP  78 -12.080   6.547   3.756
  614    HA   ASP  78           HA       ASP  78 -14.061   7.073   5.912
  615   1HB   ASP  78           HB2      ASP  78 -14.521   8.510   3.446
  616   2HB   ASP  78           HB1      ASP  78 -14.386   9.115   5.086
  617    H    GLU  79           HN       GLU  79 -15.621   5.698   5.843
  618    HA   GLU  79           HA       GLU  79 -16.584   4.616   3.231
  619   1HB   GLU  79           HB2      GLU  79 -17.254   3.482   5.948
  620   2HB   GLU  79           HB1      GLU  79 -17.323   2.677   4.380
  621   1HG   GLU  79           HG2      GLU  79 -15.195   1.989   4.610
  622   2HG   GLU  79           HG1      GLU  79 -14.658   3.659   4.802
  623    H    ASP  80           HN       ASP  80 -18.631   5.157   2.574
  624    HA   ASP  80           HA       ASP  80 -20.288   6.724   4.491
  625   1HB   ASP  80           HB2      ASP  80 -21.540   7.272   2.257
  626   2HB   ASP  80           HB1      ASP  80 -19.991   8.049   2.584
  627    H    ASP  81           HN       ASP  81 -21.986   5.520   1.764
  628    HA   ASP  81           HA       ASP  81 -23.321   3.522   3.535
  629   1HB   ASP  81           HB2      ASP  81 -24.536   5.576   2.372
  630   2HB   ASP  81           HB1      ASP  81 -24.551   4.492   0.982
  631    H    ASP  82           HN       ASP  82 -22.580   4.029   0.065
  632    HA   ASP  82           HA       ASP  82 -22.000   1.099  -0.099
  633   1HB   ASP  82           HB2      ASP  82 -22.845   1.310  -2.512
  634   2HB   ASP  82           HB1      ASP  82 -24.076   1.367  -1.250
  635    H    ARG  83           HN       ARG  83 -21.315   4.361  -1.217
  636    HA   ARG  83           HA       ARG  83 -19.235   3.692  -3.078
  637   1HB   ARG  83           HB2      ARG  83 -20.254   6.109  -1.725
  638   2HB   ARG  83           HB1      ARG  83 -18.551   6.171  -2.149
  639   1HG   ARG  83           HG2      ARG  83 -19.193   6.708  -4.241
  640   2HG   ARG  83           HG1      ARG  83 -19.777   5.052  -4.394
  641   1HD   ARG  83           HD2      ARG  83 -21.987   5.657  -3.782
  642   2HD   ARG  83           HD1      ARG  83 -21.468   7.224  -3.154
  643    HE   ARG  83           HE       ARG  83 -20.753   7.341  -5.817
  644   1HH1  ARG  83          HH21      ARG  83 -23.623   6.565  -4.061
  645   2HH1  ARG  83          HH22      ARG  83 -24.689   7.152  -5.292
  646   1HH2  ARG  83          HH11      ARG  83 -22.133   8.110  -7.429
  647   2HH2  ARG  83          HH12      ARG  83 -23.848   8.026  -7.196
  648    H    PHE  84           HN       PHE  84 -16.908   4.775  -2.465
  649    HA   PHE  84           HA       PHE  84 -16.094   4.280   0.298
  650   1HB   PHE  84           HB2      PHE  84 -16.231   1.969  -0.682
  651   2HB   PHE  84           HB1      PHE  84 -15.002   2.449  -1.852
  652    HD1  PHE  84           HD1      PHE  84 -15.472   3.006   1.834
  653    HD2  PHE  84           HD2      PHE  84 -12.911   1.587  -1.309
  654    HE1  PHE  84           HE1      PHE  84 -13.696   2.525   3.498
  655    HE2  PHE  84           HE2      PHE  84 -11.136   1.105   0.355
  656    HZ   PHE  84           HZ       PHE  84 -11.528   1.575   2.757
  657    H    VAL  85           HN       VAL  85 -14.380   5.615   0.719
  658    HA   VAL  85           HA       VAL  85 -12.646   6.388  -1.586
  659    HB   VAL  85           HB       VAL  85 -14.452   8.154  -0.768
  660   1HG1  VAL  85          HG11      VAL  85 -13.538   7.846   1.647
  661   2HG1  VAL  85          HG13      VAL  85 -12.167   8.810   1.097
  662   3HG1  VAL  85          HG12      VAL  85 -13.791   9.496   1.078
  663   1HG2  VAL  85          HG21      VAL  85 -11.603   8.424  -1.585
  664   2HG2  VAL  85          HG23      VAL  85 -13.058   9.015  -2.383
  665   3HG2  VAL  85          HG22      VAL  85 -12.391   9.886  -1.002
  666    H    LEU  86           HN       LEU  86 -10.521   7.110  -0.938
  667    HA   LEU  86           HA       LEU  86  -9.677   7.009   1.787
  668   1HB   LEU  86           HB2      LEU  86  -8.025   5.028   1.042
  669   2HB   LEU  86           HB1      LEU  86  -9.565   4.731   1.814
  670    HG   LEU  86           HG       LEU  86 -10.620   4.329  -0.327
  671   1HD1  LEU  86          HD11      LEU  86  -9.130   6.045  -1.507
  672   2HD1  LEU  86          HD13      LEU  86  -7.922   4.767  -1.615
  673   3HD1  LEU  86          HD12      LEU  86  -9.484   4.574  -2.411
  674   1HD2  LEU  86          HD21      LEU  86  -9.155   2.546   0.835
  675   2HD2  LEU  86          HD23      LEU  86  -9.557   2.269  -0.860
  676   3HD2  LEU  86          HD22      LEU  86  -7.965   2.888  -0.421
  677    H    GLU  87           HN       GLU  87  -6.945   6.237   0.921
  678    HA   GLU  87           HA       GLU  87  -6.301   8.608  -0.746
  679   1HB   GLU  87           HB2      GLU  87  -5.433   7.890   1.906
  680   2HB   GLU  87           HB1      GLU  87  -4.051   7.931   0.814
  681   1HG   GLU  87           HG2      GLU  87  -4.259  10.182   0.412
  682   2HG   GLU  87           HG1      GLU  87  -6.017  10.148   0.557
  683    H    TRP  88           HN       TRP  88  -3.672   8.169  -1.258
  684    HA   TRP  88           HA       TRP  88  -3.797   5.905  -3.082
  685   1HB   TRP  88           HB2      TRP  88  -2.460   8.280  -3.160
  686   2HB   TRP  88           HB1      TRP  88  -1.176   7.186  -2.645
  687    HD1  TRP  88           HD1      TRP  88  -4.025   6.011  -4.900
  688    HE1  TRP  88           HE1      TRP  88  -3.057   5.382  -7.206
  689    HE3  TRP  88           HE3      TRP  88   0.789   7.625  -4.313
  690    HZ2  TRP  88           HZ2      TRP  88  -0.572   5.540  -8.615
  691    HZ3  TRP  88           HZ3      TRP  88   2.432   7.371  -6.151
  692    HH2  TRP  88           HH2      TRP  88   1.758   6.331  -8.299
  693    H    LYS  89           HN       LYS  89  -3.343   3.865  -2.457
  694    HA   LYS  89           HA       LYS  89  -1.208   3.456  -0.410
  695   1HB   LYS  89           HB2      LYS  89  -3.521   3.225   0.583
  696   2HB   LYS  89           HB1      LYS  89  -3.794   1.881  -0.526
  697   1HG   LYS  89           HG2      LYS  89  -1.263   1.498   0.767
  698   2HG   LYS  89           HG1      LYS  89  -2.485   1.815   1.999
  699   1HD   LYS  89           HD2      LYS  89  -3.545   0.043  -0.027
  700   2HD   LYS  89           HD1      LYS  89  -2.048  -0.612   0.637
  701   1HE   LYS  89           HE2      LYS  89  -2.907  -0.765   2.790
  702   2HE   LYS  89           HE1      LYS  89  -4.086   0.518   2.521
  703   1HZ   LYS  89           HZ3      LYS  89  -4.532  -1.659   0.755
  704   2HZ   LYS  89           HZ2      LYS  89  -4.526  -2.194   2.368
  705   3HZ   LYS  89           HZ1      LYS  89  -5.588  -0.960   1.882
  706    H    ASN  90           HN       ASN  90  -3.319   1.731  -2.736
  707    HA   ASN  90           HA       ASN  90  -1.107  -0.174  -3.257
  708   1HB   ASN  90           HB2      ASN  90  -3.561  -0.872  -2.917
  709   2HB   ASN  90           HB1      ASN  90  -3.849  -0.209  -4.527
  710   1HD2  ASN  90          HD22      ASN  90  -3.073  -3.688  -5.279
  711   2HD2  ASN  90          HD21      ASN  90  -4.372  -2.732  -4.749
   
  No H/Q in entry =         711
  Start of MODEL    4
    1   1H    MET   1           HT2      MET   1  -1.805  21.857   2.440
    2   2H    MET   1           HT1      MET   1  -3.171  22.287   3.354
    3   3H    MET   1           HT3      MET   1  -1.737  23.180   3.505
    4    HA   MET   1           HA       MET   1  -0.992  21.849   5.091
    5   1HB   MET   1           HB2      MET   1  -3.772  20.857   4.631
    6   2HB   MET   1           HB1      MET   1  -2.721  19.887   5.663
    7   1HG   MET   1           HG2      MET   1  -2.370  22.619   6.403
    8   2HG   MET   1           HG1      MET   1  -4.104  22.304   6.322
    9   1HE   MET   1           HE1      MET   1  -0.869  21.945   7.784
   10   2HE   MET   1           HE3      MET   1  -0.995  20.949   9.240
   11   3HE   MET   1           HE2      MET   1  -0.794  20.188   7.664
   12    H    SER   2           HN       SER   2   0.298  19.984   5.350
   13    HA   SER   2           HA       SER   2   0.896  18.521   2.908
   14   1HB   SER   2           HB2      SER   2   2.743  18.958   4.365
   15   2HB   SER   2           HB1      SER   2   1.886  18.306   5.759
   16    HG   SER   2           HG       SER   2   1.983  16.263   4.782
   17    H    SER   3           HN       SER   3   0.216  16.469   2.351
   18    HA   SER   3           HA       SER   3  -1.351  14.947   4.387
   19   1HB   SER   3           HB2      SER   3  -2.142  15.233   1.479
   20   2HB   SER   3           HB1      SER   3  -3.044  14.408   2.747
   21    HG   SER   3           HG       SER   3  -3.079  16.508   3.823
   22    H    LEU   4           HN       LEU   4   0.445  13.508   4.650
   23    HA   LEU   4           HA       LEU   4   0.950  11.791   2.260
   24   1HB   LEU   4           HB2      LEU   4   3.165  11.299   3.601
   25   2HB   LEU   4           HB1      LEU   4   3.052  12.739   2.592
   26    HG   LEU   4           HG       LEU   4   2.244  13.978   4.663
   27   1HD1  LEU   4          HD11      LEU   4   3.068  11.334   5.867
   28   2HD1  LEU   4          HD13      LEU   4   3.071  12.822   6.814
   29   3HD1  LEU   4          HD12      LEU   4   1.567  12.226   6.113
   30   1HD2  LEU   4          HD22      LEU   4   4.827  13.337   3.763
   31   2HD2  LEU   4          HD21      LEU   4   4.384  14.675   4.823
   32   3HD2  LEU   4          HD23      LEU   4   4.891  13.134   5.513
   33    H    VAL   5           HN       VAL   5   1.463   9.508   2.841
   34    HA   VAL   5           HA       VAL   5   0.141   8.711   5.394
   35    HB   VAL   5           HB       VAL   5  -0.934   6.937   4.238
   36   1HG1  VAL   5          HG11      VAL   5  -1.101   9.642   3.193
   37   2HG1  VAL   5          HG13      VAL   5  -1.545   8.447   1.976
   38   3HG1  VAL   5          HG12      VAL   5  -2.396   8.492   3.519
   39   1HG2  VAL   5          HG21      VAL   5   1.284   7.319   2.371
   40   2HG2  VAL   5          HG23      VAL   5   0.327   5.874   2.681
   41   3HG2  VAL   5          HG22      VAL   5  -0.258   7.097   1.552
   42    H    TYR   6           HN       TYR   6   0.625   6.075   5.435
   43    HA   TYR   6           HA       TYR   6   3.336   5.383   4.655
   44   1HB   TYR   6           HB2      TYR   6   4.114   6.606   6.509
   45   2HB   TYR   6           HB1      TYR   6   2.720   6.172   7.496
   46    HD1  TYR   6           HD1      TYR   6   5.440   4.409   5.587
   47    HD2  TYR   6           HD2      TYR   6   3.101   4.603   9.185
   48    HE1  TYR   6           HE1      TYR   6   6.695   2.480   6.506
   49    HE2  TYR   6           HE2      TYR   6   4.359   2.675  10.104
   50    HH   TYR   6           HH       TYR   6   5.993   1.219   9.768
   51    H    ILE   7           HN       ILE   7   3.521   3.152   4.589
   52    HA   ILE   7           HA       ILE   7   1.718   1.512   6.274
   53    HB   ILE   7           HB       ILE   7   0.819   0.269   4.386
   54   1HG1  ILE   7          HG12      ILE   7   2.609   2.109   2.772
   55   2HG1  ILE   7          HG11      ILE   7   2.670   0.348   2.847
   56   1HG2  ILE   7          HG22      ILE   7  -0.092   2.655   5.088
   57   2HG2  ILE   7          HG21      ILE   7   0.463   3.107   3.478
   58   3HG2  ILE   7          HG23      ILE   7  -0.746   1.838   3.670
   59   1HD1  ILE   7          HD12      ILE   7   0.311   1.924   1.785
   60   2HD1  ILE   7          HD11      ILE   7   1.566   1.215   0.770
   61   3HD1  ILE   7          HD13      ILE   7   0.519   0.173   1.733
   62    H    ALA   8           HN       ALA   8   2.772  -0.483   6.752
   63    HA   ALA   8           HA       ALA   8   5.125  -1.099   5.098
   64   1HB   ALA   8           HB2      ALA   8   5.202  -0.390   7.995
   65   2HB   ALA   8           HB1      ALA   8   6.424  -1.460   7.306
   66   3HB   ALA   8           HB3      ALA   8   6.239   0.181   6.688
   67    H    PHE   9           HN       PHE   9   5.571  -3.276   4.869
   68    HA   PHE   9           HA       PHE   9   4.120  -5.063   6.772
   69   1HB   PHE   9           HB2      PHE   9   3.836  -6.641   4.826
   70   2HB   PHE   9           HB1      PHE   9   2.854  -5.185   4.739
   71    HD1  PHE   9           HD2      PHE   9   6.329  -6.284   3.812
   72    HD2  PHE   9           HD1      PHE   9   2.790  -4.134   2.688
   73    HE1  PHE   9           HE2      PHE   9   7.370  -5.722   1.657
   74    HE2  PHE   9           HE1      PHE   9   3.826  -3.579   0.517
   75    HZ   PHE   9           HZ       PHE   9   6.121  -4.366  -0.013
   76    H    GLN  10           HN       GLN  10   5.086  -7.438   6.357
   77    HA   GLN  10           HA       GLN  10   8.056  -7.171   6.069
   78   1HB   GLN  10           HB2      GLN  10   7.006  -7.526   8.482
   79   2HB   GLN  10           HB1      GLN  10   6.880  -9.198   7.940
   80   1HG   GLN  10           HG2      GLN  10   9.448  -7.620   7.713
   81   2HG   GLN  10           HG1      GLN  10   9.047  -8.563   9.149
   82   1HE2  GLN  10          HE22      GLN  10   9.904 -10.535   5.644
   83   2HE2  GLN  10          HE21      GLN  10   9.442  -8.903   5.588
   84    H    ASP  11           HN       ASP  11   8.039  -8.034   3.966
   85    HA   ASP  11           HA       ASP  11   6.847 -10.760   3.678
   86   1HB   ASP  11           HB2      ASP  11   6.733 -10.360   1.321
   87   2HB   ASP  11           HB1      ASP  11   6.145  -8.888   2.096
   88    H    ASN  12           HN       ASN  12   8.129 -12.475   2.986
   89    HA   ASN  12           HA       ASN  12  11.007 -12.187   3.401
   90   1HB   ASN  12           HB2      ASN  12   9.319 -14.258   3.787
   91   2HB   ASN  12           HB1      ASN  12   9.905 -14.665   2.174
   92   1HD2  ASN  12          HD22      ASN  12  12.221 -15.820   5.067
   93   2HD2  ASN  12          HD21      ASN  12  10.524 -15.775   5.034
   94    H    ASP  13           HN       ASP  13   8.988 -11.570   0.810
   95    HA   ASP  13           HA       ASP  13  10.748 -12.554  -1.305
   96   1HB   ASP  13           HB2      ASP  13   8.185 -12.172  -1.443
   97   2HB   ASP  13           HB1      ASP  13   8.591 -10.468  -1.641
   98    H    ASN  14           HN       ASN  14  12.735 -11.564  -1.278
   99    HA   ASN  14           HA       ASN  14  13.178  -8.836  -0.506
  100   1HB   ASN  14           HB2      ASN  14  15.008 -10.457  -0.476
  101   2HB   ASN  14           HB1      ASN  14  14.853 -10.702  -2.216
  102   1HD2  ASN  14          HD22      ASN  14  16.570  -7.709  -3.067
  103   2HD2  ASN  14          HD21      ASN  14  15.584  -8.965  -3.644
  104    H    ALA  15           HN       ALA  15  11.724 -10.166  -3.247
  105    HA   ALA  15           HA       ALA  15  12.631  -8.510  -5.341
  106   1HB   ALA  15           HB1      ALA  15  10.795 -10.455  -5.226
  107   2HB   ALA  15           HB3      ALA  15   9.705  -9.071  -5.153
  108   3HB   ALA  15           HB2      ALA  15  10.796  -9.261  -6.525
  109    H    ARG  16           HN       ARG  16  10.248  -7.906  -2.799
  110    HA   ARG  16           HA       ARG  16   9.243  -5.426  -3.722
  111   1HB   ARG  16           HB2      ARG  16   9.667  -6.585  -0.970
  112   2HB   ARG  16           HB1      ARG  16   9.012  -4.961  -1.180
  113   1HG   ARG  16           HG2      ARG  16   7.843  -7.343  -2.622
  114   2HG   ARG  16           HG1      ARG  16   7.308  -6.881  -1.005
  115   1HD   ARG  16           HD2      ARG  16   5.891  -5.445  -2.019
  116   2HD   ARG  16           HD1      ARG  16   7.311  -4.478  -2.413
  117    HE   ARG  16           HE       ARG  16   7.210  -6.363  -4.442
  118   1HH1  ARG  16          HH21      ARG  16   5.033  -4.079  -3.041
  119   2HH1  ARG  16          HH22      ARG  16   4.166  -3.807  -4.514
  120   1HH2  ARG  16          HH11      ARG  16   6.084  -6.019  -6.370
  121   2HH2  ARG  16          HH12      ARG  16   4.759  -4.903  -6.397
  122    H    TYR  17           HN       TYR  17  12.109  -6.139  -1.721
  123    HA   TYR  17           HA       TYR  17  12.947  -3.481  -1.255
  124   1HB   TYR  17           HB2      TYR  17  14.033  -6.073  -0.901
  125   2HB   TYR  17           HB1      TYR  17  15.229  -5.157  -1.818
  126    HD1  TYR  17           HD1      TYR  17  16.268  -3.146  -0.892
  127    HD2  TYR  17           HD2      TYR  17  13.367  -5.385   1.347
  128    HE1  TYR  17           HE1      TYR  17  16.920  -1.929   1.169
  129    HE2  TYR  17           HE2      TYR  17  14.019  -4.171   3.409
  130    HH   TYR  17           HH       TYR  17  15.968  -2.937   4.277
  131    H    VAL  18           HN       VAL  18  13.660  -5.633  -4.015
  132    HA   VAL  18           HA       VAL  18  15.361  -3.901  -5.458
  133    HB   VAL  18           HB       VAL  18  13.234  -5.746  -6.595
  134   1HG1  VAL  18          HG12      VAL  18  15.710  -4.442  -7.742
  135   2HG1  VAL  18          HG11      VAL  18  14.967  -5.862  -8.480
  136   3HG1  VAL  18          HG13      VAL  18  14.056  -4.357  -8.350
  137   1HG2  VAL  18          HG22      VAL  18  15.303  -6.445  -4.923
  138   2HG2  VAL  18          HG21      VAL  18  14.586  -7.515  -6.127
  139   3HG2  VAL  18          HG23      VAL  18  16.052  -6.613  -6.511
  140    H    VAL  19           HN       VAL  19  11.834  -4.290  -5.965
  141    HA   VAL  19           HA       VAL  19  11.479  -2.056  -7.645
  142    HB   VAL  19           HB       VAL  19   9.536  -3.045  -5.531
  143   1HG1  VAL  19          HG13      VAL  19   9.396  -0.861  -7.280
  144   2HG1  VAL  19          HG12      VAL  19   8.455  -2.125  -8.072
  145   3HG1  VAL  19          HG11      VAL  19   8.043  -1.613  -6.435
  146   1HG2  VAL  19          HG23      VAL  19  10.525  -4.763  -7.192
  147   2HG2  VAL  19          HG22      VAL  19   8.768  -4.643  -7.111
  148   3HG2  VAL  19          HG21      VAL  19   9.644  -3.876  -8.435
  149    H    GLU  20           HN       GLU  20  12.118  -2.224  -4.242
  150    HA   GLU  20           HA       GLU  20  11.152   0.384  -3.502
  151   1HB   GLU  20           HB2      GLU  20  12.287  -1.758  -2.156
  152   2HB   GLU  20           HB1      GLU  20  13.546  -0.525  -2.067
  153   1HG   GLU  20           HG2      GLU  20  12.364   0.684  -0.577
  154   2HG   GLU  20           HG1      GLU  20  10.919   0.621  -1.586
  155    H    ALA  21           HN       ALA  21  14.464  -0.774  -4.257
  156    HA   ALA  21           HA       ALA  21  15.795   1.687  -4.218
  157   1HB   ALA  21           HB1      ALA  21  16.338  -0.914  -5.203
  158   2HB   ALA  21           HB3      ALA  21  16.638   0.192  -6.544
  159   3HB   ALA  21           HB2      ALA  21  17.483   0.413  -5.012
  160    H    ILE  22           HN       ILE  22  13.711   0.300  -6.717
  161    HA   ILE  22           HA       ILE  22  14.155   2.280  -8.729
  162    HB   ILE  22           HB       ILE  22  11.592   0.767  -8.130
  163   1HG1  ILE  22          HG12      ILE  22  14.003   0.045  -9.827
  164   2HG1  ILE  22          HG11      ILE  22  13.463  -0.784  -8.367
  165   1HG2  ILE  22          HG23      ILE  22  12.006   2.819  -9.917
  166   2HG2  ILE  22          HG22      ILE  22  12.342   1.398 -10.906
  167   3HG2  ILE  22          HG21      ILE  22  10.784   1.560 -10.097
  168   1HD1  ILE  22          HD11      ILE  22  11.257  -1.203  -9.564
  169   2HD1  ILE  22          HD13      ILE  22  12.045  -0.636 -11.036
  170   3HD1  ILE  22          HD12      ILE  22  12.645  -2.075 -10.213
  171    H    ILE  23           HN       ILE  23  11.783   2.110  -6.069
  172    HA   ILE  23           HA       ILE  23  10.319   4.443  -6.587
  173    HB   ILE  23           HB       ILE  23  11.262   3.389  -3.901
  174   1HG1  ILE  23          HG12      ILE  23   9.915   1.848  -5.425
  175   2HG1  ILE  23          HG11      ILE  23   9.197   2.169  -3.845
  176   1HG2  ILE  23          HG23      ILE  23  10.460   5.762  -3.865
  177   2HG2  ILE  23          HG22      ILE  23   8.929   5.215  -4.548
  178   3HG2  ILE  23          HG21      ILE  23   9.425   4.668  -2.947
  179   1HD1  ILE  23          HD12      ILE  23   8.515   3.784  -6.311
  180   2HD1  ILE  23          HD11      ILE  23   7.604   2.355  -5.823
  181   3HD1  ILE  23          HD13      ILE  23   7.666   3.765  -4.766
  182    H    GLN  24           HN       GLN  24  13.248   4.226  -4.524
  183    HA   GLN  24           HA       GLN  24  13.562   7.048  -4.236
  184   1HB   GLN  24           HB2      GLN  24  14.874   4.863  -3.243
  185   2HB   GLN  24           HB1      GLN  24  16.055   5.459  -4.410
  186   1HG   GLN  24           HG2      GLN  24  14.713   7.360  -2.498
  187   2HG   GLN  24           HG1      GLN  24  16.115   6.419  -1.987
  188   1HE2  GLN  24          HE22      GLN  24  16.594   9.424  -4.729
  189   2HE2  GLN  24          HE21      GLN  24  15.035   8.870  -4.347
  190    H    ASP  25           HN       ASP  25  14.373   4.836  -6.826
  191    HA   ASP  25           HA       ASP  25  16.268   6.306  -8.282
  192   1HB   ASP  25           HB2      ASP  25  14.895   4.040  -8.788
  193   2HB   ASP  25           HB1      ASP  25  13.998   5.146  -9.828
  194    H    ASN  26           HN       ASN  26  12.754   6.737  -8.064
  195    HA   ASN  26           HA       ASN  26  12.756   8.983  -9.933
  196   1HB   ASN  26           HB2      ASN  26  10.592   8.216  -7.961
  197   2HB   ASN  26           HB1      ASN  26  10.409   9.137  -9.454
  198   1HD2  ASN  26          HD22      ASN  26  10.590   5.063  -9.604
  199   2HD2  ASN  26          HD21      ASN  26  10.871   5.882  -8.145
  200    HA   PRO  27           HA       PRO  27  13.727  11.825  -6.735
  201   1HB   PRO  27           HB2      PRO  27  13.105  14.111  -8.357
  202   2HB   PRO  27           HB1      PRO  27  14.700  13.432  -8.006
  203   1HG   PRO  27           HG2      PRO  27  13.241  13.318 -10.489
  204   2HG   PRO  27           HG1      PRO  27  14.842  12.656 -10.137
  205   1HD   PRO  27           HD2      PRO  27  12.384  11.209 -10.504
  206   2HD   PRO  27           HD1      PRO  27  13.988  10.552 -10.135
  207    H    HIS  28           HN       HIS  28  11.104  10.777  -6.584
  208    HA   HIS  28           HA       HIS  28   9.672  13.116  -5.493
  209   1HB   HIS  28           HB2      HIS  28   9.043  12.603  -7.975
  210   2HB   HIS  28           HB1      HIS  28   8.187  11.222  -7.294
  211    HD1  HIS  28           HD1      HIS  28   6.239  11.753  -5.583
  212    HD2  HIS  28           HD2      HIS  28   7.796  15.089  -7.538
  213    HE1  HIS  28           HE1      HIS  28   4.592  13.640  -5.202
  214    H    ALA  29           HN       ALA  29   9.487   9.611  -6.161
  215    HA   ALA  29           HA       ALA  29   7.750   9.072  -3.912
  216   1HB   ALA  29           HB3      ALA  29   8.308   7.649  -6.074
  217   2HB   ALA  29           HB2      ALA  29   9.580   6.986  -5.049
  218   3HB   ALA  29           HB1      ALA  29   7.891   6.844  -4.562
  219    H    VAL  30           HN       VAL  30   8.293   8.485  -1.814
  220    HA   VAL  30           HA       VAL  30  11.176   8.764  -1.109
  221    HB   VAL  30           HB       VAL  30   8.839   8.704   0.807
  222   1HG1  VAL  30          HG13      VAL  30  11.356   8.422   1.463
  223   2HG1  VAL  30          HG12      VAL  30  11.459  10.150   1.130
  224   3HG1  VAL  30          HG11      VAL  30  10.361   9.556   2.376
  225   1HG2  VAL  30          HG21      VAL  30   9.633  10.761  -1.114
  226   2HG2  VAL  30          HG23      VAL  30   8.190  10.672  -0.104
  227   3HG2  VAL  30          HG22      VAL  30   9.682  11.347   0.549
  228    H    VAL  31           HN       VAL  31  12.162   7.176   0.277
  229    HA   VAL  31           HA       VAL  31  10.659   4.603   0.469
  230    HB   VAL  31           HB       VAL  31  13.141   3.663   0.204
  231   1HG1  VAL  31          HG12      VAL  31  10.860   3.961  -1.463
  232   2HG1  VAL  31          HG11      VAL  31  12.274   4.287  -2.465
  233   3HG1  VAL  31          HG13      VAL  31  12.142   2.757  -1.597
  234   1HG2  VAL  31          HG22      VAL  31  13.778   6.237  -0.093
  235   2HG2  VAL  31          HG21      VAL  31  14.606   4.979  -1.012
  236   3HG2  VAL  31          HG23      VAL  31  13.310   5.910  -1.762
  237    H    GLN  32           HN       GLN  32  11.778   3.110   2.120
  238    HA   GLN  32           HA       GLN  32  13.259   4.575   4.225
  239   1HB   GLN  32           HB2      GLN  32  10.539   4.448   4.431
  240   2HB   GLN  32           HB1      GLN  32  11.004   2.961   5.259
  241   1HG   GLN  32           HG2      GLN  32  12.730   4.447   6.506
  242   2HG   GLN  32           HG1      GLN  32  11.751   5.801   5.938
  243   1HE2  GLN  32          HE22      GLN  32  10.440   4.617   9.268
  244   2HE2  GLN  32          HE21      GLN  32  11.964   5.139   8.735
  245    H    HIS  33           HN       HIS  33  14.994   3.238   4.460
  246    HA   HIS  33           HA       HIS  33  14.751   0.354   4.004
  247   1HB   HIS  33           HB2      HIS  33  17.148   1.807   5.135
  248   2HB   HIS  33           HB1      HIS  33  17.119   0.296   4.228
  249    HD1  HIS  33           HD1      HIS  33  17.173   3.980   3.807
  250    HD2  HIS  33           HD2      HIS  33  16.576   0.635   1.392
  251    HE1  HIS  33           HE1      HIS  33  17.342   4.786   1.411
  252    H    HIS  34           HN       HIS  34  14.341  -1.126   5.581
  253    HA   HIS  34           HA       HIS  34  14.750  -0.276   8.420
  254   1HB   HIS  34           HB2      HIS  34  12.418  -1.563   7.072
  255   2HB   HIS  34           HB1      HIS  34  12.810  -2.104   8.704
  256    HD1  HIS  34           HD1      HIS  34  10.802  -0.929   9.820
  257    HD2  HIS  34           HD2      HIS  34  13.270   1.679   7.704
  258    HE1  HIS  34           HE1      HIS  34  10.082   1.414  10.458
  259    HA   PRO  35           HA       PRO  35  17.017  -4.022   8.510
  260   1HB   PRO  35           HB2      PRO  35  17.202  -4.062  11.373
  261   2HB   PRO  35           HB1      PRO  35  18.413  -3.494  10.215
  262   1HG   PRO  35           HG2      PRO  35  16.758  -1.908  11.972
  263   2HG   PRO  35           HG1      PRO  35  18.003  -1.349  10.846
  264   1HD   PRO  35           HD2      PRO  35  15.158  -1.080  10.579
  265   2HD   PRO  35           HD1      PRO  35  16.408  -0.572   9.429
  266    H    ALA  36           HN       ALA  36  14.206  -4.440   8.350
  267    HA   ALA  36           HA       ALA  36  13.875  -7.088   9.124
  268   1HB   ALA  36           HB2      ALA  36  13.306  -5.161  11.344
  269   2HB   ALA  36           HB1      ALA  36  12.264  -6.573  11.171
  270   3HB   ALA  36           HB3      ALA  36  13.998  -6.781  11.419
  271    H    MET  37           HN       MET  37  12.357  -3.940   8.761
  272    HA   MET  37           HA       MET  37   9.857  -5.282   7.826
  273   1HB   MET  37           HB2      MET  37  10.486  -2.553   8.912
  274   2HB   MET  37           HB1      MET  37   9.106  -2.745   7.830
  275   1HG   MET  37           HG2      MET  37   7.952  -3.348   9.684
  276   2HG   MET  37           HG1      MET  37   8.815  -4.881   9.558
  277   1HE   MET  37           HE2      MET  37   9.491  -5.845  11.420
  278   2HE   MET  37           HE1      MET  37   9.921  -5.129  12.971
  279   3HE   MET  37           HE3      MET  37   8.270  -4.984  12.354
  280    H    ILE  38           HN       ILE  38   8.812  -4.042   5.926
  281    HA   ILE  38           HA       ILE  38  10.701  -2.796   4.053
  282    HB   ILE  38           HB       ILE  38   9.726  -4.622   2.333
  283   1HG1  ILE  38          HG12      ILE  38   8.625  -5.738   4.412
  284   2HG1  ILE  38          HG11      ILE  38   9.449  -6.769   3.246
  285   1HG2  ILE  38          HG23      ILE  38  12.205  -4.480   3.977
  286   2HG2  ILE  38          HG22      ILE  38  11.935  -5.960   3.057
  287   3HG2  ILE  38          HG21      ILE  38  12.006  -4.406   2.227
  288   1HD1  ILE  38          HD12      ILE  38  11.383  -5.877   5.168
  289   2HD1  ILE  38          HD11      ILE  38   9.982  -6.498   6.036
  290   3HD1  ILE  38          HD13      ILE  38  10.817  -7.516   4.865
  291    H    ARG  39           HN       ARG  39   9.524  -1.206   3.043
  292    HA   ARG  39           HA       ARG  39   7.098  -1.586   1.723
  293   1HB   ARG  39           HB2      ARG  39   6.730  -1.640   4.478
  294   2HB   ARG  39           HB1      ARG  39   6.022  -0.138   3.879
  295   1HG   ARG  39           HG2      ARG  39   5.450  -2.956   2.929
  296   2HG   ARG  39           HG1      ARG  39   4.309  -1.832   3.659
  297   1HD   ARG  39           HD2      ARG  39   5.013  -0.323   1.579
  298   2HD   ARG  39           HD1      ARG  39   5.402  -1.889   0.876
  299    HE   ARG  39           HE       ARG  39   2.856  -2.232   1.920
  300   1HH1  ARG  39          HH21      ARG  39   4.410  -0.002  -0.211
  301   2HH1  ARG  39          HH22      ARG  39   2.984   0.298  -1.145
  302   1HH2  ARG  39          HH11      ARG  39   0.991  -1.851   0.706
  303   2HH2  ARG  39          HH12      ARG  39   1.051  -0.747  -0.627
  304    H    ILE  40           HN       ILE  40   5.780   0.999   2.538
  305    HA   ILE  40           HA       ILE  40   7.866   3.035   2.189
  306    HB   ILE  40           HB       ILE  40   5.778   2.943   0.062
  307   1HG1  ILE  40          HG12      ILE  40   8.386   1.406  -0.123
  308   2HG1  ILE  40          HG11      ILE  40   6.796   0.666   0.065
  309   1HG2  ILE  40          HG23      ILE  40   8.079   4.490   0.686
  310   2HG2  ILE  40          HG22      ILE  40   8.426   3.628  -0.813
  311   3HG2  ILE  40          HG21      ILE  40   7.005   4.667  -0.701
  312   1HD1  ILE  40          HD13      ILE  40   6.093   1.883  -2.042
  313   2HD1  ILE  40          HD12      ILE  40   7.786   2.324  -2.264
  314   3HD1  ILE  40          HD11      ILE  40   7.307   0.626  -2.281
  315    H    GLU  41           HN       GLU  41   6.417   5.143   1.351
  316    HA   GLU  41           HA       GLU  41   3.901   5.246   2.936
  317   1HB   GLU  41           HB2      GLU  41   4.781   7.711   3.402
  318   2HB   GLU  41           HB1      GLU  41   5.259   6.381   4.454
  319   1HG   GLU  41           HG2      GLU  41   7.405   6.265   3.557
  320   2HG   GLU  41           HG1      GLU  41   6.913   6.989   2.025
  321    H    ALA  42           HN       ALA  42   3.070   7.749   2.355
  322    HA   ALA  42           HA       ALA  42   3.422   8.089  -0.585
  323   1HB   ALA  42           HB1      ALA  42   1.278   6.736   0.290
  324   2HB   ALA  42           HB3      ALA  42   0.660   8.373   0.506
  325   3HB   ALA  42           HB2      ALA  42   1.188   7.834  -1.088
  326    H    GLU  43           HN       GLU  43   1.726  10.137  -1.071
  327    HA   GLU  43           HA       GLU  43   2.218  12.201   1.009
  328   1HB   GLU  43           HB2      GLU  43   3.236  12.204  -1.820
  329   2HB   GLU  43           HB1      GLU  43   2.863  13.728  -1.014
  330   1HG   GLU  43           HG2      GLU  43   4.476  13.361   0.680
  331   2HG   GLU  43           HG1      GLU  43   4.611  11.644   0.294
  332    H    LYS  44           HN       LYS  44  -0.233  10.827   0.067
  333    HA   LYS  44           HA       LYS  44  -1.876  13.176  -0.293
  334   1HB   LYS  44           HB2      LYS  44  -0.789  12.436  -2.639
  335   2HB   LYS  44           HB1      LYS  44  -2.195  11.376  -2.632
  336   1HG   LYS  44           HG2      LYS  44  -3.588  13.089  -3.078
  337   2HG   LYS  44           HG1      LYS  44  -2.908  14.054  -1.767
  338   1HD   LYS  44           HD2      LYS  44  -1.238  14.978  -3.146
  339   2HD   LYS  44           HD1      LYS  44  -1.410  13.708  -4.358
  340   1HE   LYS  44           HE2      LYS  44  -2.520  15.516  -5.358
  341   2HE   LYS  44           HE1      LYS  44  -3.842  14.616  -4.615
  342   1HZ   LYS  44           HZ2      LYS  44  -2.939  16.272  -2.638
  343   2HZ   LYS  44           HZ1      LYS  44  -2.885  17.241  -4.032
  344   3HZ   LYS  44           HZ3      LYS  44  -4.339  16.498  -3.574
  345    H    ARG  45           HN       ARG  45  -3.915  11.492  -1.793
  346    HA   ARG  45           HA       ARG  45  -4.504   9.440   0.235
  347   1HB   ARG  45           HB2      ARG  45  -5.583  11.906   0.563
  348   2HB   ARG  45           HB1      ARG  45  -6.816  11.147  -0.447
  349   1HG   ARG  45           HG2      ARG  45  -7.045   9.305   1.105
  350   2HG   ARG  45           HG1      ARG  45  -5.678   9.882   2.056
  351   1HD   ARG  45           HD2      ARG  45  -7.624  11.991   1.739
  352   2HD   ARG  45           HD1      ARG  45  -8.403  10.556   2.400
  353    HE   ARG  45           HE       ARG  45  -6.748  12.324   3.863
  354   1HH1  ARG  45          HH21      ARG  45  -7.044   8.927   3.256
  355   2HH1  ARG  45          HH22      ARG  45  -6.086   8.481   4.624
  356   1HH2  ARG  45          HH11      ARG  45  -5.528  11.736   5.653
  357   2HH2  ARG  45          HH12      ARG  45  -5.240  10.060   5.980
  358    H    LEU  46           HN       LEU  46  -7.270   9.166  -0.704
  359    HA   LEU  46           HA       LEU  46  -7.054   8.591  -3.581
  360   1HB   LEU  46           HB2      LEU  46  -6.521   6.597  -1.647
  361   2HB   LEU  46           HB1      LEU  46  -8.060   6.213  -2.390
  362    HG   LEU  46           HG       LEU  46  -5.417   6.646  -3.789
  363   1HD1  LEU  46          HD13      LEU  46  -5.830   4.388  -2.884
  364   2HD1  LEU  46          HD12      LEU  46  -7.370   4.336  -3.742
  365   3HD1  LEU  46          HD11      LEU  46  -5.858   4.382  -4.646
  366   1HD2  LEU  46          HD23      LEU  46  -8.238   6.709  -4.771
  367   2HD2  LEU  46          HD22      LEU  46  -6.869   7.713  -5.251
  368   3HD2  LEU  46          HD21      LEU  46  -6.979   6.043  -5.808
  369    H    GLU  47           HN       GLU  47  -9.164   8.291  -4.524
  370    HA   GLU  47           HA       GLU  47 -11.464   8.260  -2.633
  371   1HB   GLU  47           HB2      GLU  47 -11.149  10.614  -3.238
  372   2HB   GLU  47           HB1      GLU  47 -11.123  10.190  -4.951
  373   1HG   GLU  47           HG2      GLU  47 -13.479   9.145  -3.558
  374   2HG   GLU  47           HG1      GLU  47 -13.380  10.906  -3.513
  375    H    ILE  48           HN       ILE  48 -13.184   7.006  -3.400
  376    HA   ILE  48           HA       ILE  48 -13.365   6.298  -6.237
  377    HB   ILE  48           HB       ILE  48 -13.241   3.818  -4.693
  378   1HG1  ILE  48          HG12      ILE  48 -10.681   5.420  -5.016
  379   2HG1  ILE  48          HG11      ILE  48 -11.491   5.127  -3.477
  380   1HG2  ILE  48          HG23      ILE  48 -11.778   4.838  -7.147
  381   2HG2  ILE  48          HG22      ILE  48 -11.829   3.159  -6.610
  382   3HG2  ILE  48          HG21      ILE  48 -13.305   3.957  -7.152
  383   1HD1  ILE  48          HD11      ILE  48 -10.531   2.930  -5.330
  384   2HD1  ILE  48          HD13      ILE  48  -9.616   3.521  -3.943
  385   3HD1  ILE  48          HD12      ILE  48 -11.175   2.733  -3.700
  386    H    ARG  49           HN       ARG  49 -15.334   5.132  -6.719
  387    HA   ARG  49           HA       ARG  49 -17.467   5.715  -4.797
  388   1HB   ARG  49           HB2      ARG  49 -17.685   4.307  -7.469
  389   2HB   ARG  49           HB1      ARG  49 -18.985   5.088  -6.568
  390   1HG   ARG  49           HG2      ARG  49 -17.000   7.056  -6.825
  391   2HG   ARG  49           HG1      ARG  49 -17.069   6.267  -8.401
  392   1HD   ARG  49           HD2      ARG  49 -19.745   6.562  -7.576
  393   2HD   ARG  49           HD1      ARG  49 -18.965   8.095  -7.199
  394    HE   ARG  49           HE       ARG  49 -19.735   7.264  -9.790
  395   1HH1  ARG  49          HH21      ARG  49 -16.929   8.501  -8.177
  396   2HH1  ARG  49          HH22      ARG  49 -16.156   8.984  -9.645
  397   1HH2  ARG  49          HH11      ARG  49 -18.738   7.923 -11.690
  398   2HH2  ARG  49          HH12      ARG  49 -17.178   8.673 -11.624
  399    H    ARG  50           HN       ARG  50 -19.255   3.651  -5.219
  400    HA   ARG  50           HA       ARG  50 -18.224   1.639  -3.407
  401   1HB   ARG  50           HB2      ARG  50 -20.594   2.321  -3.391
  402   2HB   ARG  50           HB1      ARG  50 -20.789   1.679  -5.023
  403   1HG   ARG  50           HG2      ARG  50 -19.655  -0.134  -2.935
  404   2HG   ARG  50           HG1      ARG  50 -21.385   0.205  -2.884
  405   1HD   ARG  50           HD2      ARG  50 -20.487  -0.346  -5.592
  406   2HD   ARG  50           HD1      ARG  50 -20.110  -1.684  -4.510
  407    HE   ARG  50           HE       ARG  50 -22.679  -1.111  -5.543
  408   1HH1  ARG  50          HH21      ARG  50 -21.174  -1.729  -2.484
  409   2HH1  ARG  50          HH22      ARG  50 -22.667  -2.096  -1.693
  410   1HH2  ARG  50          HH11      ARG  50 -24.608  -1.618  -4.516
  411   2HH2  ARG  50          HH12      ARG  50 -24.599  -2.047  -2.838
  412    H    GLU  51           HN       GLU  51 -18.545   1.885  -6.890
  413    HA   GLU  51           HA       GLU  51 -18.530  -0.797  -7.672
  414   1HB   GLU  51           HB2      GLU  51 -17.251  -0.054  -9.665
  415   2HB   GLU  51           HB1      GLU  51 -18.570   1.052  -9.289
  416   1HG   GLU  51           HG2      GLU  51 -17.063   2.721  -9.232
  417   2HG   GLU  51           HG1      GLU  51 -16.379   1.976  -7.788
  418    H    THR  52           HN       THR  52 -15.953   1.092  -6.200
  419    HA   THR  52           HA       THR  52 -13.825  -0.768  -6.751
  420    HB   THR  52           HB       THR  52 -13.754   0.720  -4.186
  421    HG1  THR  52           HG1      THR  52 -13.939   1.980  -6.716
  422   1HG2  THR  52          HG21      THR  52 -11.887  -0.493  -5.660
  423   2HG2  THR  52          HG23      THR  52 -11.827   1.091  -6.432
  424   3HG2  THR  52          HG22      THR  52 -11.519   0.941  -4.701
  425    H    VAL  53           HN       VAL  53 -16.064  -0.391  -4.000
  426    HA   VAL  53           HA       VAL  53 -15.113  -2.404  -2.313
  427    HB   VAL  53           HB       VAL  53 -18.035  -1.928  -2.991
  428   1HG1  VAL  53          HG12      VAL  53 -16.662  -2.978  -0.496
  429   2HG1  VAL  53          HG11      VAL  53 -18.393  -2.688  -0.663
  430   3HG1  VAL  53          HG13      VAL  53 -17.612  -3.938  -1.630
  431   1HG2  VAL  53          HG21      VAL  53 -16.265  -0.012  -2.159
  432   2HG2  VAL  53          HG23      VAL  53 -17.987   0.002  -1.777
  433   3HG2  VAL  53          HG22      VAL  53 -16.832  -0.648  -0.614
  434    H    GLU  54           HN       GLU  54 -16.743  -2.677  -5.401
  435    HA   GLU  54           HA       GLU  54 -17.291  -5.519  -5.196
  436   1HB   GLU  54           HB2      GLU  54 -18.600  -4.441  -6.827
  437   2HB   GLU  54           HB1      GLU  54 -17.236  -3.514  -7.445
  438   1HG   GLU  54           HG2      GLU  54 -16.520  -5.208  -8.799
  439   2HG   GLU  54           HG1      GLU  54 -16.981  -6.460  -7.646
  440    H    GLU  55           HN       GLU  55 -14.708  -3.550  -6.677
  441    HA   GLU  55           HA       GLU  55 -13.189  -5.677  -7.780
  442   1HB   GLU  55           HB2      GLU  55 -12.754  -3.192  -8.059
  443   2HB   GLU  55           HB1      GLU  55 -12.013  -3.218  -6.458
  444   1HG   GLU  55           HG2      GLU  55 -10.321  -4.767  -7.173
  445   2HG   GLU  55           HG1      GLU  55 -11.150  -5.058  -8.703
  446    H    ASN  56           HN       ASN  56 -12.877  -4.187  -4.532
  447    HA   ASN  56           HA       ASN  56 -10.855  -5.906  -3.550
  448   1HB   ASN  56           HB2      ASN  56 -12.459  -3.865  -2.501
  449   2HB   ASN  56           HB1      ASN  56 -12.832  -5.276  -1.510
  450   1HD2  ASN  56          HD21      ASN  56 -10.329  -6.605  -1.522
  451   2HD2  ASN  56          HD22      ASN  56  -9.179  -5.627  -0.746
  452    H    LEU  57           HN       LEU  57 -14.378  -6.343  -3.656
  453    HA   LEU  57           HA       LEU  57 -14.546  -8.692  -2.081
  454   1HB   LEU  57           HB2      LEU  57 -16.556  -7.538  -2.830
  455   2HB   LEU  57           HB1      LEU  57 -16.162  -7.880  -4.516
  456    HG   LEU  57           HG       LEU  57 -16.112 -10.389  -3.635
  457   1HD1  LEU  57          HD11      LEU  57 -17.489  -8.823  -1.518
  458   2HD1  LEU  57          HD13      LEU  57 -18.261 -10.331  -2.005
  459   3HD1  LEU  57          HD12      LEU  57 -16.605 -10.344  -1.398
  460   1HD2  LEU  57          HD21      LEU  57 -17.679  -9.153  -5.308
  461   2HD2  LEU  57          HD23      LEU  57 -18.253 -10.652  -4.576
  462   3HD2  LEU  57          HD22      LEU  57 -18.814  -9.098  -3.959
  463    H    GLY  58           HN       GLY  58 -14.152  -8.412  -5.632
  464   1HA   GLY  58           HA2      GLY  58 -13.788 -11.234  -6.036
  465   2HA   GLY  58           HA1      GLY  58 -13.314  -9.972  -7.176
  466    H    ARG  59           HN       ARG  59 -11.782  -8.826  -4.692
  467    HA   ARG  59           HA       ARG  59  -9.367 -10.541  -5.119
  468   1HB   ARG  59           HB2      ARG  59  -9.508  -7.975  -5.798
  469   2HB   ARG  59           HB1      ARG  59  -9.153  -7.740  -4.086
  470   1HG   ARG  59           HG2      ARG  59  -7.040  -8.622  -4.258
  471   2HG   ARG  59           HG1      ARG  59  -7.508  -9.762  -5.521
  472   1HD   ARG  59           HD2      ARG  59  -7.097  -8.269  -7.208
  473   2HD   ARG  59           HD1      ARG  59  -7.636  -6.887  -6.254
  474    HE   ARG  59           HE       ARG  59  -5.266  -7.669  -5.035
  475   1HH1  ARG  59          HH21      ARG  59  -6.297  -6.837  -8.225
  476   2HH1  ARG  59          HH22      ARG  59  -4.758  -6.197  -8.694
  477   1HH2  ARG  59          HH11      ARG  59  -3.253  -6.837  -5.639
  478   2HH2  ARG  59          HH12      ARG  59  -3.038  -6.196  -7.234
  479    H    ALA  60           HN       ALA  60 -11.611 -10.638  -3.018
  480    HA   ALA  60           HA       ALA  60 -10.408  -9.884  -0.502
  481   1HB   ALA  60           HB2      ALA  60 -12.701 -11.695  -1.266
  482   2HB   ALA  60           HB1      ALA  60 -12.183 -11.518   0.410
  483   3HB   ALA  60           HB3      ALA  60 -12.769 -10.116  -0.484
  484    H    TRP  61           HN       TRP  61  -9.660 -12.337  -2.681
  485    HA   TRP  61           HA       TRP  61  -8.789 -14.263  -0.611
  486   1HB   TRP  61           HB2      TRP  61  -9.858 -15.053  -2.734
  487   2HB   TRP  61           HB1      TRP  61  -8.485 -14.398  -3.623
  488    HD1  TRP  61           HD1      TRP  61  -6.236 -15.706  -3.569
  489    HE1  TRP  61           HE1      TRP  61  -5.556 -18.032  -2.686
  490    HE3  TRP  61           HE3      TRP  61 -10.367 -16.836  -0.784
  491    HZ2  TRP  61           HZ2      TRP  61  -6.623 -20.098  -1.023
  492    HZ3  TRP  61           HZ3      TRP  61 -10.508 -18.988   0.436
  493    HH2  TRP  61           HH2      TRP  61  -8.644 -20.619   0.320
  494    H    ASP  62           HN       ASP  62  -7.564 -11.514  -1.090
  495    HA   ASP  62           HA       ASP  62  -4.780 -12.409  -1.701
  496   1HB   ASP  62           HB2      ASP  62  -5.624 -10.617  -3.167
  497   2HB   ASP  62           HB1      ASP  62  -5.966  -9.622  -1.752
  498    H    VAL  63           HN       VAL  63  -6.668 -12.025   0.911
  499    HA   VAL  63           HA       VAL  63  -4.785 -10.438   2.540
  500    HB   VAL  63           HB       VAL  63  -7.094 -11.994   3.662
  501   1HG1  VAL  63          HG11      VAL  63  -5.530  -9.517   4.315
  502   2HG1  VAL  63          HG13      VAL  63  -7.186  -9.665   4.903
  503   3HG1  VAL  63          HG12      VAL  63  -5.976 -10.863   5.364
  504   1HG2  VAL  63          HG23      VAL  63  -7.197  -9.515   1.936
  505   2HG2  VAL  63          HG22      VAL  63  -8.173 -10.979   1.805
  506   3HG2  VAL  63          HG21      VAL  63  -8.446  -9.853   3.135
  507    H    GLN  64           HN       GLN  64  -5.743 -13.805   2.063
  508    HA   GLN  64           HA       GLN  64  -4.533 -14.986   4.315
  509   1HB   GLN  64           HB2      GLN  64  -4.537 -16.075   1.481
  510   2HB   GLN  64           HB1      GLN  64  -4.324 -17.019   2.956
  511   1HG   GLN  64           HG2      GLN  64  -6.793 -15.441   2.177
  512   2HG   GLN  64           HG1      GLN  64  -6.643 -17.198   2.210
  513   1HE2  GLN  64          HE22      GLN  64  -7.286 -15.161   5.678
  514   2HE2  GLN  64          HE21      GLN  64  -7.058 -14.333   4.214
  515    H    GLU  65           HN       GLU  65  -3.074 -13.857   1.297
  516    HA   GLU  65           HA       GLU  65  -0.439 -14.897   1.884
  517   1HB   GLU  65           HB2      GLU  65  -1.704 -13.350  -0.213
  518   2HB   GLU  65           HB1      GLU  65  -0.153 -12.634   0.229
  519   1HG   GLU  65           HG2      GLU  65   0.977 -14.769  -0.098
  520   2HG   GLU  65           HG1      GLU  65  -0.563 -15.570  -0.412
  521    H    MET  66           HN       MET  66  -2.159 -11.925   2.652
  522    HA   MET  66           HA       MET  66   0.140 -10.427   3.531
  523   1HB   MET  66           HB2      MET  66  -2.754 -10.119   3.527
  524   2HB   MET  66           HB1      MET  66  -2.049  -9.551   5.040
  525   1HG   MET  66           HG2      MET  66  -0.742  -7.931   3.979
  526   2HG   MET  66           HG1      MET  66  -0.771  -8.779   2.434
  527   1HE   MET  66           HE3      MET  66  -1.561  -7.897   0.748
  528   2HE   MET  66           HE2      MET  66  -3.135  -8.686   0.724
  529   3HE   MET  66           HE1      MET  66  -3.026  -6.947   0.462
  530    H    LEU  67           HN       LEU  67  -1.458 -13.130   4.832
  531    HA   LEU  67           HA       LEU  67  -1.107 -12.608   7.643
  532   1HB   LEU  67           HB2      LEU  67  -2.513 -14.448   6.414
  533   2HB   LEU  67           HB1      LEU  67  -1.014 -15.377   6.476
  534    HG   LEU  67           HG       LEU  67  -1.983 -14.024   8.969
  535   1HD1  LEU  67          HD11      LEU  67  -3.079 -16.571   7.756
  536   2HD1  LEU  67          HD13      LEU  67  -3.206 -16.202   9.476
  537   3HD1  LEU  67          HD12      LEU  67  -3.986 -15.155   8.289
  538   1HD2  LEU  67          HD21      LEU  67   0.095 -15.816   8.205
  539   2HD2  LEU  67          HD23      LEU  67  -0.270 -15.213   9.822
  540   3HD2  LEU  67          HD22      LEU  67  -1.006 -16.710   9.253
  541    H    VAL  68           HN       VAL  68   0.849 -14.519   5.326
  542    HA   VAL  68           HA       VAL  68   2.894 -15.285   7.111
  543    HB   VAL  68           HB       VAL  68   3.189 -14.574   4.182
  544   1HG1  VAL  68          HG11      VAL  68   5.228 -14.983   5.854
  545   2HG1  VAL  68          HG13      VAL  68   4.798 -16.671   5.577
  546   3HG1  VAL  68          HG12      VAL  68   5.240 -15.639   4.217
  547   1HG2  VAL  68          HG21      VAL  68   1.390 -16.266   4.774
  548   2HG2  VAL  68          HG23      VAL  68   2.668 -16.881   3.725
  549   3HG2  VAL  68          HG22      VAL  68   2.670 -17.279   5.443
  550    H    ASP  69           HN       ASP  69   2.635 -12.308   5.156
  551    HA   ASP  69           HA       ASP  69   5.100 -11.286   6.435
  552   1HB   ASP  69           HB2      ASP  69   4.605  -9.294   4.875
  553   2HB   ASP  69           HB1      ASP  69   5.037 -10.823   4.108
  554    H    VAL  70           HN       VAL  70   5.054  -9.044   7.361
  555    HA   VAL  70           HA       VAL  70   2.735  -8.780   9.145
  556    HB   VAL  70           HB       VAL  70   5.336  -8.260   9.582
  557   1HG1  VAL  70          HG13      VAL  70   4.823  -6.230   7.863
  558   2HG1  VAL  70          HG12      VAL  70   4.435  -5.441   9.378
  559   3HG1  VAL  70          HG11      VAL  70   6.038  -6.126   9.125
  560   1HG2  VAL  70          HG23      VAL  70   3.071  -8.058  11.004
  561   2HG2  VAL  70          HG22      VAL  70   4.619  -7.470  11.614
  562   3HG2  VAL  70          HG21      VAL  70   3.471  -6.345  10.887
  563    H    ILE  71           HN       ILE  71   1.925  -6.345   9.422
  564    HA   ILE  71           HA       ILE  71   1.721  -4.988   6.802
  565    HB   ILE  71           HB       ILE  71  -0.887  -4.878   7.554
  566   1HG1  ILE  71          HG12      ILE  71  -0.401  -7.784   7.932
  567   2HG1  ILE  71          HG11      ILE  71   0.004  -6.748   9.301
  568   1HG2  ILE  71          HG22      ILE  71   0.486  -6.972   5.848
  569   2HG2  ILE  71          HG21      ILE  71  -1.248  -6.651   5.820
  570   3HG2  ILE  71          HG23      ILE  71  -0.112  -5.402   5.311
  571   1HD1  ILE  71          HD11      ILE  71  -2.577  -6.126   8.006
  572   2HD1  ILE  71          HD13      ILE  71  -2.508  -7.700   8.799
  573   3HD1  ILE  71          HD12      ILE  71  -2.173  -6.233   9.719
  574    H    THR  72           HN       THR  72   1.528  -2.788   7.024
  575    HA   THR  72           HA       THR  72   0.640  -1.653   9.600
  576    HB   THR  72           HB       THR  72   3.137  -0.468   8.485
  577    HG1  THR  72           HG1      THR  72   3.222  -2.632  10.282
  578   1HG2  THR  72          HG22      THR  72   1.681   0.326  10.485
  579   2HG2  THR  72          HG21      THR  72   2.429  -1.015  11.353
  580   3HG2  THR  72          HG23      THR  72   3.432   0.274  10.687
  581    H    ILE  73           HN       ILE  73   0.016   0.598   9.391
  582    HA   ILE  73           HA       ILE  73  -0.115   1.653   6.640
  583    HB   ILE  73           HB       ILE  73  -2.595   2.193   7.219
  584   1HG1  ILE  73          HG12      ILE  73  -3.519   0.145   8.549
  585   2HG1  ILE  73          HG11      ILE  73  -1.885   0.042   9.201
  586   1HG2  ILE  73          HG22      ILE  73  -1.590   0.524   5.505
  587   2HG2  ILE  73          HG21      ILE  73  -2.026  -0.714   6.683
  588   3HG2  ILE  73          HG23      ILE  73  -3.276   0.310   5.977
  589   1HD1  ILE  73          HD13      ILE  73  -2.039   2.412   9.921
  590   2HD1  ILE  73          HD12      ILE  73  -3.692   2.475   9.309
  591   3HD1  ILE  73          HD11      ILE  73  -3.293   1.421  10.665
  592    H    GLY  74           HN       GLY  74  -1.240   3.911   6.773
  593   1HA   GLY  74           HA2      GLY  74  -1.266   5.389   9.218
  594   2HA   GLY  74           HA1      GLY  74   0.296   5.614   8.426
  595    H    GLY  75           HN       GLY  75  -3.114   5.450   7.357
  596   1HA   GLY  75           HA2      GLY  75  -4.136   7.616   6.558
  597   2HA   GLY  75           HA1      GLY  75  -2.597   7.921   5.749
  598    H    ASN  76           HN       ASN  76  -4.980   5.247   5.922
  599    HA   ASN  76           HA       ASN  76  -5.615   5.316   3.151
  600   1HB   ASN  76           HB2      ASN  76  -4.275   3.655   2.203
  601   2HB   ASN  76           HB1      ASN  76  -3.132   4.443   3.284
  602   1HD2  ASN  76          HD22      ASN  76  -3.763   0.555   3.772
  603   2HD2  ASN  76          HD21      ASN  76  -4.113   1.420   2.355
  604    H    VAL  77           HN       VAL  77  -7.418   4.049   2.849
  605    HA   VAL  77           HA       VAL  77  -8.004   1.629   4.130
  606    HB   VAL  77           HB       VAL  77  -8.048   2.894   6.222
  607   1HG1  VAL  77          HG13      VAL  77  -8.818   5.014   4.742
  608   2HG1  VAL  77          HG12      VAL  77 -10.390   4.518   5.368
  609   3HG1  VAL  77          HG11      VAL  77  -9.086   4.924   6.483
  610   1HG2  VAL  77          HG23      VAL  77 -10.824   2.196   5.209
  611   2HG2  VAL  77          HG22      VAL  77  -9.692   1.087   5.983
  612   3HG2  VAL  77          HG21      VAL  77 -10.396   2.415   6.906
  613    H    ASP  78           HN       ASP  78  -8.639   1.536   1.850
  614    HA   ASP  78           HA       ASP  78 -10.542   3.045   0.539
  615   1HB   ASP  78           HB2      ASP  78  -9.267   0.611   0.096
  616   2HB   ASP  78           HB1      ASP  78 -10.987   0.246  -0.007
  617    H    GLU  79           HN       GLU  79 -11.112   1.098   3.230
  618    HA   GLU  79           HA       GLU  79 -14.041   1.232   2.691
  619   1HB   GLU  79           HB2      GLU  79 -12.419  -0.917   3.615
  620   2HB   GLU  79           HB1      GLU  79 -13.433  -0.419   4.969
  621   1HG   GLU  79           HG2      GLU  79 -15.263  -0.360   2.967
  622   2HG   GLU  79           HG1      GLU  79 -14.206  -1.644   2.380
  623    H    ASP  80           HN       ASP  80 -14.607   3.217   3.559
  624    HA   ASP  80           HA       ASP  80 -13.748   3.731   6.379
  625   1HB   ASP  80           HB2      ASP  80 -13.866   5.425   4.015
  626   2HB   ASP  80           HB1      ASP  80 -14.798   6.109   5.347
  627    H    ASP  81           HN       ASP  81 -16.400   5.168   4.494
  628    HA   ASP  81           HA       ASP  81 -18.239   4.357   6.695
  629   1HB   ASP  81           HB2      ASP  81 -18.051   6.686   4.877
  630   2HB   ASP  81           HB1      ASP  81 -19.687   6.100   5.182
  631    H    ASP  82           HN       ASP  82 -19.319   5.242   3.473
  632    HA   ASP  82           HA       ASP  82 -20.332   2.444   3.147
  633   1HB   ASP  82           HB2      ASP  82 -22.089   4.197   3.587
  634   2HB   ASP  82           HB1      ASP  82 -21.610   4.975   2.078
  635    H    ARG  83           HN       ARG  83 -18.800   5.204   1.601
  636    HA   ARG  83           HA       ARG  83 -18.791   3.847  -1.022
  637   1HB   ARG  83           HB2      ARG  83 -18.608   6.536  -0.167
  638   2HB   ARG  83           HB1      ARG  83 -17.045   6.144  -0.889
  639   1HG   ARG  83           HG2      ARG  83 -18.294   5.181  -2.861
  640   2HG   ARG  83           HG1      ARG  83 -19.777   5.833  -2.163
  641   1HD   ARG  83           HD2      ARG  83 -18.214   8.041  -2.057
  642   2HD   ARG  83           HD1      ARG  83 -17.519   7.249  -3.471
  643    HE   ARG  83           HE       ARG  83 -20.250   7.133  -3.925
  644   1HH1  ARG  83          HH21      ARG  83 -17.947   9.590  -3.151
  645   2HH1  ARG  83          HH22      ARG  83 -18.802  10.836  -3.997
  646   1HH2  ARG  83          HH11      ARG  83 -21.369   8.750  -5.030
  647   2HH2  ARG  83          HH12      ARG  83 -20.735  10.362  -5.059
  648    H    PHE  84           HN       PHE  84 -16.151   4.706  -1.825
  649    HA   PHE  84           HA       PHE  84 -14.475   3.005  -0.027
  650   1HB   PHE  84           HB2      PHE  84 -15.230   2.451  -2.698
  651   2HB   PHE  84           HB1      PHE  84 -13.532   2.927  -2.749
  652    HD1  PHE  84           HD1      PHE  84 -15.559   1.121  -0.159
  653    HD2  PHE  84           HD2      PHE  84 -12.212   1.001  -2.849
  654    HE1  PHE  84           HE1      PHE  84 -14.914  -1.097   0.742
  655    HE2  PHE  84           HE2      PHE  84 -11.567  -1.216  -1.946
  656    HZ   PHE  84           HZ       PHE  84 -12.917  -2.266  -0.151
  657    H    VAL  85           HN       VAL  85 -12.801   4.179   0.772
  658    HA   VAL  85           HA       VAL  85 -11.447   6.113  -1.042
  659    HB   VAL  85           HB       VAL  85 -13.214   7.281   0.509
  660   1HG1  VAL  85          HG12      VAL  85 -12.442   6.004   2.552
  661   2HG1  VAL  85          HG11      VAL  85 -10.903   6.856   2.442
  662   3HG1  VAL  85          HG13      VAL  85 -12.386   7.754   2.763
  663   1HG2  VAL  85          HG21      VAL  85 -10.285   8.078   0.428
  664   2HG2  VAL  85          HG23      VAL  85 -11.504   8.479  -0.781
  665   3HG2  VAL  85          HG22      VAL  85 -11.608   9.170   0.839
  666    H    LEU  86           HN       LEU  86  -9.234   6.200  -0.632
  667    HA   LEU  86           HA       LEU  86  -8.260   5.238   1.942
  668   1HB   LEU  86           HB2      LEU  86  -7.026   3.423   1.135
  669   2HB   LEU  86           HB1      LEU  86  -8.584   3.221   0.368
  670    HG   LEU  86           HG       LEU  86  -7.014   4.862  -1.323
  671   1HD1  LEU  86          HD11      LEU  86  -5.510   2.688   0.026
  672   2HD1  LEU  86          HD13      LEU  86  -5.305   2.828  -1.719
  673   3HD1  LEU  86          HD12      LEU  86  -4.918   4.194  -0.674
  674   1HD2  LEU  86          HD21      LEU  86  -8.009   2.020  -1.422
  675   2HD2  LEU  86          HD23      LEU  86  -8.702   3.436  -2.211
  676   3HD2  LEU  86          HD22      LEU  86  -7.175   2.763  -2.784
  677    H    GLU  87           HN       GLU  87  -5.609   4.912   0.909
  678    HA   GLU  87           HA       GLU  87  -4.951   7.766   0.604
  679   1HB   GLU  87           HB2      GLU  87  -2.986   7.302   1.597
  680   2HB   GLU  87           HB1      GLU  87  -3.646   5.708   1.899
  681   1HG   GLU  87           HG2      GLU  87  -2.815   5.087  -0.456
  682   2HG   GLU  87           HG1      GLU  87  -1.875   6.576  -0.377
  683    H    TRP  88           HN       TRP  88  -3.023   8.233  -0.905
  684    HA   TRP  88           HA       TRP  88  -3.855   7.431  -3.580
  685   1HB   TRP  88           HB2      TRP  88  -2.888   9.721  -2.833
  686   2HB   TRP  88           HB1      TRP  88  -1.320   8.933  -3.022
  687    HD1  TRP  88           HD1      TRP  88  -3.597   7.369  -5.388
  688    HE1  TRP  88           HE1      TRP  88  -3.315   8.351  -7.757
  689    HE3  TRP  88           HE3      TRP  88  -0.864  11.553  -4.303
  690    HZ2  TRP  88           HZ2      TRP  88  -2.096  10.604  -9.024
  691    HZ3  TRP  88           HZ3      TRP  88  -0.158  13.096  -6.110
  692    HH2  TRP  88           HH2      TRP  88  -0.770  12.626  -8.467
  693    H    LYS  89           HN       LYS  89  -3.127   5.634  -4.592
  694    HA   LYS  89           HA       LYS  89  -0.332   4.791  -4.289
  695   1HB   LYS  89           HB2      LYS  89  -1.779   3.764  -2.371
  696   2HB   LYS  89           HB1      LYS  89  -2.429   2.729  -3.643
  697   1HG   LYS  89           HG2      LYS  89  -0.642   1.405  -3.164
  698   2HG   LYS  89           HG1      LYS  89   0.253   2.562  -4.150
  699   1HD   LYS  89           HD2      LYS  89   0.067   3.721  -1.582
  700   2HD   LYS  89           HD1      LYS  89   0.494   2.029  -1.320
  701   1HE   LYS  89           HE2      LYS  89   2.610   2.506  -1.910
  702   2HE   LYS  89           HE1      LYS  89   2.036   2.919  -3.526
  703   1HZ   LYS  89           HZ3      LYS  89   1.584   5.163  -2.752
  704   2HZ   LYS  89           HZ2      LYS  89   2.147   4.763  -1.200
  705   3HZ   LYS  89           HZ1      LYS  89   3.217   4.765  -2.519
  706    H    ASN  90           HN       ASN  90  -2.512   5.560  -6.349
  707    HA   ASN  90           HA       ASN  90  -2.491   3.102  -8.014
  708   1HB   ASN  90           HB2      ASN  90  -4.544   4.695  -7.641
  709   2HB   ASN  90           HB1      ASN  90  -3.749   5.703  -8.851
  710   1HD2  ASN  90          HD22      ASN  90  -5.920   2.666 -10.163
  711   2HD2  ASN  90          HD21      ASN  90  -6.105   3.422  -8.654
   
  No H/Q in entry =         711
  Start of MODEL    5
    1   1H    MET   1           HT3      MET   1  -3.945  15.128   6.162
    2   2H    MET   1           HT2      MET   1  -4.430  16.506   7.031
    3   3H    MET   1           HT1      MET   1  -4.304  15.004   7.815
    4    HA   MET   1           HA       MET   1  -6.589  15.312   7.478
    5   1HB   MET   1           HB2      MET   1  -5.647  16.346   4.820
    6   2HB   MET   1           HB1      MET   1  -7.283  15.704   4.970
    7   1HG   MET   1           HG2      MET   1  -7.851  17.769   5.705
    8   2HG   MET   1           HG1      MET   1  -7.053  17.310   7.209
    9   1HE   MET   1           HE2      MET   1  -7.384  19.690   7.244
   10   2HE   MET   1           HE1      MET   1  -5.778  20.138   7.815
   11   3HE   MET   1           HE3      MET   1  -6.469  20.933   6.395
   12    H    SER   2           HN       SER   2  -5.692  14.285   4.228
   13    HA   SER   2           HA       SER   2  -5.386  11.489   4.844
   14   1HB   SER   2           HB2      SER   2  -8.122  12.501   4.092
   15   2HB   SER   2           HB1      SER   2  -7.617  10.873   3.649
   16    HG   SER   2           HG       SER   2  -7.224  10.468   5.845
   17    H    SER   3           HN       SER   3  -3.753  12.834   3.307
   18    HA   SER   3           HA       SER   3  -4.583  12.201   0.499
   19   1HB   SER   3           HB2      SER   3  -3.478  14.125  -0.290
   20   2HB   SER   3           HB1      SER   3  -4.264  14.692   1.181
   21    HG   SER   3           HG       SER   3  -2.138  15.337   1.256
   22    H    LEU   4           HN       LEU   4  -2.778  10.983   2.881
   23    HA   LEU   4           HA       LEU   4  -0.779   9.977   0.955
   24   1HB   LEU   4           HB2      LEU   4   0.905  10.199   2.914
   25   2HB   LEU   4           HB1      LEU   4   0.539  11.632   1.960
   26    HG   LEU   4           HG       LEU   4  -1.371  11.282   4.124
   27   1HD1  LEU   4          HD13      LEU   4   0.926  10.268   4.967
   28   2HD1  LEU   4          HD12      LEU   4   1.378  11.967   5.103
   29   3HD1  LEU   4          HD11      LEU   4  -0.007  11.348   6.003
   30   1HD2  LEU   4          HD23      LEU   4  -0.401  13.324   2.609
   31   2HD2  LEU   4          HD22      LEU   4  -1.222  13.564   4.151
   32   3HD2  LEU   4          HD21      LEU   4   0.541  13.550   4.083
   33    H    VAL   5           HN       VAL   5   0.374   8.049   1.831
   34    HA   VAL   5           HA       VAL   5  -1.265   6.543   3.821
   35    HB   VAL   5           HB       VAL   5  -1.088   4.598   2.424
   36   1HG1  VAL   5          HG13      VAL   5  -2.788   6.443   1.876
   37   2HG1  VAL   5          HG12      VAL   5  -1.735   6.830   0.514
   38   3HG1  VAL   5          HG11      VAL   5  -2.484   5.237   0.626
   39   1HG2  VAL   5          HG22      VAL   5   0.923   6.275   1.012
   40   2HG2  VAL   5          HG21      VAL   5   0.950   4.546   1.360
   41   3HG2  VAL   5          HG23      VAL   5  -0.028   5.162   0.028
   42    H    TYR   6           HN       TYR   6  -0.020   4.624   4.653
   43    HA   TYR   6           HA       TYR   6   2.924   4.860   4.450
   44   1HB   TYR   6           HB2      TYR   6   2.700   6.184   6.385
   45   2HB   TYR   6           HB1      TYR   6   1.289   5.292   6.943
   46    HD1  TYR   6           HD1      TYR   6   4.562   3.965   5.751
   47    HD2  TYR   6           HD2      TYR   6   1.919   4.508   9.089
   48    HE1  TYR   6           HE1      TYR   6   6.028   2.529   7.141
   49    HE2  TYR   6           HE2      TYR   6   3.384   3.072  10.483
   50    HH   TYR   6           HH       TYR   6   5.070   1.229  10.079
   51    H    ILE   7           HN       ILE   7   3.810   2.773   4.484
   52    HA   ILE   7           HA       ILE   7   2.344   0.571   5.756
   53    HB   ILE   7           HB       ILE   7   1.856  -0.671   3.776
   54   1HG1  ILE   7          HG12      ILE   7   3.679   1.344   2.464
   55   2HG1  ILE   7          HG11      ILE   7   3.779  -0.415   2.432
   56   1HG2  ILE   7          HG23      ILE   7   0.260   1.170   4.194
   57   2HG2  ILE   7          HG22      ILE   7   1.215   2.229   3.160
   58   3HG2  ILE   7          HG21      ILE   7   0.405   0.824   2.476
   59   1HD1  ILE   7          HD13      ILE   7   1.293   0.107   1.311
   60   2HD1  ILE   7          HD12      ILE   7   2.311   1.396   0.668
   61   3HD1  ILE   7          HD11      ILE   7   2.761  -0.291   0.420
   62    H    ALA   8           HN       ALA   8   3.765  -1.075   6.291
   63    HA   ALA   8           HA       ALA   8   6.429  -1.009   4.929
   64   1HB   ALA   8           HB3      ALA   8   5.720  -1.328   7.835
   65   2HB   ALA   8           HB2      ALA   8   7.178  -2.090   7.199
   66   3HB   ALA   8           HB1      ALA   8   6.984  -0.343   7.106
   67    H    PHE   9           HN       PHE   9   7.409  -3.373   5.044
   68    HA   PHE   9           HA       PHE   9   5.478  -5.509   5.373
   69   1HB   PHE   9           HB2      PHE   9   6.300  -4.467   2.670
   70   2HB   PHE   9           HB1      PHE   9   5.809  -6.133   2.897
   71    HD1  PHE   9           HD2      PHE   9   3.650  -5.953   4.877
   72    HD2  PHE   9           HD1      PHE   9   4.551  -3.380   1.557
   73    HE1  PHE   9           HE2      PHE   9   1.275  -5.250   4.777
   74    HE2  PHE   9           HE1      PHE   9   2.174  -2.677   1.460
   75    HZ   PHE   9           HZ       PHE   9   0.536  -3.612   3.069
   76    H    GLN  10           HN       GLN  10   6.502  -7.589   5.109
   77    HA   GLN  10           HA       GLN  10   9.481  -7.486   4.922
   78   1HB   GLN  10           HB2      GLN  10   8.424  -8.031   7.233
   79   2HB   GLN  10           HB1      GLN  10   7.973  -9.571   6.504
   80   1HG   GLN  10           HG2      GLN  10  10.791  -8.457   6.651
   81   2HG   GLN  10           HG1      GLN  10  10.145  -9.740   7.675
   82   1HE2  GLN  10          HE22      GLN  10  11.196 -10.565   3.810
   83   2HE2  GLN  10          HE21      GLN  10  11.144  -8.959   4.356
   84    H    ASP  11           HN       ASP  11   9.563  -8.078   2.739
   85    HA   ASP  11           HA       ASP  11   8.259 -10.663   2.009
   86   1HB   ASP  11           HB2      ASP  11   8.876  -9.813  -0.373
   87   2HB   ASP  11           HB1      ASP  11   7.530  -9.042   0.466
   88    H    ASN  12           HN       ASN  12   9.539 -12.374   1.363
   89    HA   ASN  12           HA       ASN  12  12.416 -12.168   1.861
   90   1HB   ASN  12           HB2      ASN  12  10.632 -14.220   2.085
   91   2HB   ASN  12           HB1      ASN  12  11.364 -14.591   0.524
   92   1HD2  ASN  12          HD22      ASN  12  14.687 -14.329   2.465
   93   2HD2  ASN  12          HD21      ASN  12  13.937 -13.191   1.453
   94    H    ASP  13           HN       ASP  13  10.366 -11.689  -0.815
   95    HA   ASP  13           HA       ASP  13  12.211 -12.523  -2.885
   96   1HB   ASP  13           HB2      ASP  13   9.547 -11.644  -2.786
   97   2HB   ASP  13           HB1      ASP  13  10.403 -10.383  -3.673
   98    H    ASN  14           HN       ASN  14  14.197 -11.544  -2.851
   99    HA   ASN  14           HA       ASN  14  14.730  -8.917  -1.892
  100   1HB   ASN  14           HB2      ASN  14  16.557 -10.485  -2.131
  101   2HB   ASN  14           HB1      ASN  14  16.239 -10.667  -3.857
  102   1HD2  ASN  14          HD22      ASN  14  18.760  -8.209  -4.297
  103   2HD2  ASN  14          HD21      ASN  14  18.344  -9.842  -4.494
  104    H    ALA  15           HN       ALA  15  13.164  -9.988  -4.718
  105    HA   ALA  15           HA       ALA  15  13.917  -8.094  -6.641
  106   1HB   ALA  15           HB3      ALA  15  11.834  -9.972  -6.332
  107   2HB   ALA  15           HB2      ALA  15  11.045  -8.427  -6.650
  108   3HB   ALA  15           HB1      ALA  15  12.232  -9.061  -7.789
  109    H    ARG  16           HN       ARG  16  11.618  -7.804  -3.967
  110    HA   ARG  16           HA       ARG  16  10.639  -5.205  -4.534
  111   1HB   ARG  16           HB2      ARG  16  11.119  -6.664  -1.928
  112   2HB   ARG  16           HB1      ARG  16  10.353  -5.077  -1.998
  113   1HG   ARG  16           HG2      ARG  16   9.271  -7.137  -3.846
  114   2HG   ARG  16           HG1      ARG  16   8.950  -7.386  -2.129
  115   1HD   ARG  16           HD2      ARG  16   7.325  -5.836  -2.215
  116   2HD   ARG  16           HD1      ARG  16   8.513  -4.624  -2.697
  117    HE   ARG  16           HE       ARG  16   7.972  -5.990  -5.045
  118   1HH1  ARG  16          HH21      ARG  16   6.122  -4.393  -2.603
  119   2HH1  ARG  16          HH22      ARG  16   4.864  -3.913  -3.692
  120   1HH2  ARG  16          HH11      ARG  16   6.341  -5.369  -6.469
  121   2HH2  ARG  16          HH12      ARG  16   4.988  -4.464  -5.879
  122    H    TYR  17           HN       TYR  17  13.583  -6.278  -2.875
  123    HA   TYR  17           HA       TYR  17  14.468  -3.746  -1.941
  124   1HB   TYR  17           HB2      TYR  17  15.452  -6.264  -1.758
  125   2HB   TYR  17           HB1      TYR  17  16.536  -5.608  -2.985
  126    HD1  TYR  17           HD1      TYR  17  16.617  -2.743  -2.163
  127    HD2  TYR  17           HD2      TYR  17  16.813  -6.332   0.187
  128    HE1  TYR  17           HE1      TYR  17  17.863  -1.521  -0.403
  129    HE2  TYR  17           HE2      TYR  17  18.061  -5.110   1.947
  130    HH   TYR  17           HH       TYR  17  19.254  -3.197   2.361
  131    H    VAL  18           HN       VAL  18  14.966  -5.370  -5.078
  132    HA   VAL  18           HA       VAL  18  16.687  -3.469  -6.267
  133    HB   VAL  18           HB       VAL  18  14.436  -5.057  -7.547
  134   1HG1  VAL  18          HG11      VAL  18  16.076  -2.988  -8.614
  135   2HG1  VAL  18          HG13      VAL  18  16.652  -4.514  -9.285
  136   3HG1  VAL  18          HG12      VAL  18  14.963  -4.045  -9.484
  137   1HG2  VAL  18          HG23      VAL  18  16.820  -5.908  -6.340
  138   2HG2  VAL  18          HG22      VAL  18  15.817  -6.842  -7.449
  139   3HG2  VAL  18          HG21      VAL  18  17.173  -5.899  -8.067
  140    H    VAL  19           HN       VAL  19  13.108  -3.574  -6.359
  141    HA   VAL  19           HA       VAL  19  12.799  -1.050  -7.668
  142    HB   VAL  19           HB       VAL  19  10.904  -2.400  -5.719
  143   1HG1  VAL  19          HG11      VAL  19  10.574  -0.238  -7.809
  144   2HG1  VAL  19          HG13      VAL  19   9.209  -1.155  -7.172
  145   3HG1  VAL  19          HG12      VAL  19  10.179  -0.153  -6.092
  146   1HG2  VAL  19          HG21      VAL  19  11.843  -3.589  -7.921
  147   2HG2  VAL  19          HG23      VAL  19  10.149  -3.733  -7.453
  148   3HG2  VAL  19          HG22      VAL  19  10.627  -2.572  -8.692
  149    H    GLU  20           HN       GLU  20  13.526  -1.918  -4.382
  150    HA   GLU  20           HA       GLU  20  12.751   0.640  -3.226
  151   1HB   GLU  20           HB2      GLU  20  12.827  -1.249  -1.741
  152   2HB   GLU  20           HB1      GLU  20  14.478  -1.640  -2.226
  153   1HG   GLU  20           HG2      GLU  20  15.360  -0.149  -0.776
  154   2HG   GLU  20           HG1      GLU  20  14.228   1.110  -1.269
  155    H    ALA  21           HN       ALA  21  15.589  -0.678  -4.786
  156    HA   ALA  21           HA       ALA  21  17.436   1.346  -3.849
  157   1HB   ALA  21           HB2      ALA  21  18.005  -0.941  -4.910
  158   2HB   ALA  21           HB1      ALA  21  17.677  -0.162  -6.458
  159   3HB   ALA  21           HB3      ALA  21  18.971   0.442  -5.424
  160    H    ILE  22           HN       ILE  22  15.470   0.915  -6.782
  161    HA   ILE  22           HA       ILE  22  16.318   3.330  -8.075
  162    HB   ILE  22           HB       ILE  22  13.580   2.055  -8.314
  163   1HG1  ILE  22          HG12      ILE  22  16.240   1.225  -9.506
  164   2HG1  ILE  22          HG11      ILE  22  15.147   0.243  -8.530
  165   1HG2  ILE  22          HG21      ILE  22  14.052   4.252  -9.455
  166   2HG2  ILE  22          HG23      ILE  22  15.326   3.443 -10.366
  167   3HG2  ILE  22          HG22      ILE  22  13.647   2.942 -10.564
  168   1HD1  ILE  22          HD12      ILE  22  13.417   0.478 -10.329
  169   2HD1  ILE  22          HD11      ILE  22  14.618   1.308 -11.318
  170   3HD1  ILE  22          HD13      ILE  22  14.864  -0.378 -10.863
  171    H    ILE  23           HN       ILE  23  13.530   2.607  -5.966
  172    HA   ILE  23           HA       ILE  23  12.330   5.159  -5.968
  173    HB   ILE  23           HB       ILE  23  12.572   3.186  -3.674
  174   1HG1  ILE  23          HG12      ILE  23  10.197   3.594  -5.486
  175   2HG1  ILE  23          HG11      ILE  23  11.510   2.514  -5.957
  176   1HG2  ILE  23          HG21      ILE  23  11.904   5.580  -3.096
  177   2HG2  ILE  23          HG23      ILE  23  10.473   5.325  -4.094
  178   3HG2  ILE  23          HG22      ILE  23  10.734   4.335  -2.658
  179   1HD1  ILE  23          HD12      ILE  23  10.285   2.265  -3.224
  180   2HD1  ILE  23          HD11      ILE  23   9.477   1.543  -4.615
  181   3HD1  ILE  23          HD13      ILE  23  11.112   1.040  -4.186
  182    H    GLN  24           HN       GLN  24  14.876   3.905  -3.780
  183    HA   GLN  24           HA       GLN  24  15.202   6.349  -2.328
  184   1HB   GLN  24           HB2      GLN  24  17.183   4.122  -2.923
  185   2HB   GLN  24           HB1      GLN  24  17.477   5.429  -1.775
  186   1HG   GLN  24           HG2      GLN  24  15.793   4.694  -0.309
  187   2HG   GLN  24           HG1      GLN  24  14.993   3.741  -1.559
  188   1HE2  GLN  24          HE22      GLN  24  18.568   2.029  -0.644
  189   2HE2  GLN  24          HE21      GLN  24  18.493   3.590  -1.306
  190    H    ASP  25           HN       ASP  25  16.469   5.205  -5.413
  191    HA   ASP  25           HA       ASP  25  18.552   7.004  -5.893
  192   1HB   ASP  25           HB2      ASP  25  17.264   5.223  -7.456
  193   2HB   ASP  25           HB1      ASP  25  16.539   6.706  -8.076
  194    H    ASN  26           HN       ASN  26  15.068   7.542  -5.922
  195    HA   ASN  26           HA       ASN  26  15.316  10.333  -6.758
  196   1HB   ASN  26           HB2      ASN  26  12.959   8.869  -5.531
  197   2HB   ASN  26           HB1      ASN  26  12.904  10.428  -6.352
  198   1HD2  ASN  26          HD22      ASN  26  13.104   6.993  -8.551
  199   2HD2  ASN  26          HD21      ASN  26  13.282   6.942  -6.864
  200    HA   PRO  27           HA       PRO  27  16.025  11.548  -2.587
  201   1HB   PRO  27           HB2      PRO  27  16.000  14.335  -3.278
  202   2HB   PRO  27           HB1      PRO  27  17.406  13.304  -2.977
  203   1HG   PRO  27           HG2      PRO  27  16.507  14.353  -5.500
  204   2HG   PRO  27           HG1      PRO  27  17.901  13.309  -5.194
  205   1HD   PRO  27           HD2      PRO  27  15.398  12.604  -6.441
  206   2HD   PRO  27           HD1      PRO  27  16.810  11.569  -6.161
  207    H    HIS  28           HN       HIS  28  13.326  10.991  -3.201
  208    HA   HIS  28           HA       HIS  28  11.993  13.046  -1.550
  209   1HB   HIS  28           HB2      HIS  28  11.810  13.431  -4.164
  210   2HB   HIS  28           HB1      HIS  28  10.588  12.169  -4.037
  211    HD1  HIS  28           HD1      HIS  28   8.674  13.899  -4.514
  212    HD2  HIS  28           HD2      HIS  28  10.884  14.714  -1.075
  213    HE1  HIS  28           HE1      HIS  28   7.369  15.641  -3.220
  214    H    ALA  29           HN       ALA  29  11.604  10.006  -3.387
  215    HA   ALA  29           HA       ALA  29   9.329   9.043  -1.974
  216   1HB   ALA  29           HB3      ALA  29  11.604   7.557  -3.315
  217   2HB   ALA  29           HB2      ALA  29  10.148   6.771  -2.706
  218   3HB   ALA  29           HB1      ALA  29  10.032   7.949  -4.012
  219    H    VAL  30           HN       VAL  30   9.142   7.783  -0.084
  220    HA   VAL  30           HA       VAL  30  11.546   7.837   1.673
  221    HB   VAL  30           HB       VAL  30   8.714   7.193   2.505
  222   1HG1  VAL  30          HG13      VAL  30  11.132   7.061   3.845
  223   2HG1  VAL  30          HG12      VAL  30  10.512   8.644   4.312
  224   3HG1  VAL  30          HG11      VAL  30   9.549   7.197   4.610
  225   1HG2  VAL  30          HG21      VAL  30   9.522   9.602   1.362
  226   2HG2  VAL  30          HG23      VAL  30   8.119   9.374   2.406
  227   3HG2  VAL  30          HG22      VAL  30   9.656   9.897   3.095
  228    H    VAL  31           HN       VAL  31  12.414   5.936   2.489
  229    HA   VAL  31           HA       VAL  31  11.021   3.406   2.425
  230    HB   VAL  31           HB       VAL  31  13.257   2.835   0.761
  231   1HG1  VAL  31          HG11      VAL  31  10.379   2.424   0.882
  232   2HG1  VAL  31          HG13      VAL  31  10.934   2.625  -0.780
  233   3HG1  VAL  31          HG12      VAL  31  11.632   1.364   0.236
  234   1HG2  VAL  31          HG21      VAL  31  12.993   5.307   0.139
  235   2HG2  VAL  31          HG23      VAL  31  12.903   4.160  -1.198
  236   3HG2  VAL  31          HG22      VAL  31  11.427   4.866  -0.540
  237    H    GLN  32           HN       GLN  32  12.572   1.605   3.086
  238    HA   GLN  32           HA       GLN  32  15.107   2.552   4.271
  239   1HB   GLN  32           HB2      GLN  32  12.660   1.973   5.816
  240   2HB   GLN  32           HB1      GLN  32  14.103   1.142   6.398
  241   1HG   GLN  32           HG2      GLN  32  14.211   4.074   5.729
  242   2HG   GLN  32           HG1      GLN  32  13.602   3.539   7.296
  243   1HE2  GLN  32          HE22      GLN  32  17.589   3.291   6.487
  244   2HE2  GLN  32          HE21      GLN  32  16.492   3.774   5.285
  245    H    HIS  33           HN       HIS  33  13.462  -0.307   5.441
  246    HA   HIS  33           HA       HIS  33  14.013  -2.575   5.205
  247   1HB   HIS  33           HB2      HIS  33  13.100  -2.004   2.908
  248   2HB   HIS  33           HB1      HIS  33  14.767  -1.782   2.385
  249    HD1  HIS  33           HD1      HIS  33  13.884  -4.460   4.856
  250    HD2  HIS  33           HD2      HIS  33  14.729  -4.146   0.785
  251    HE1  HIS  33           HE1      HIS  33  14.220  -6.824   4.009
  252    H    HIS  34           HN       HIS  34  15.822  -3.180   6.324
  253    HA   HIS  34           HA       HIS  34  18.413  -3.073   4.941
  254   1HB   HIS  34           HB2      HIS  34  17.723  -1.117   6.933
  255   2HB   HIS  34           HB1      HIS  34  19.008  -2.152   7.557
  256    HD1  HIS  34           HD1      HIS  34  20.839  -0.341   7.264
  257    HD2  HIS  34           HD2      HIS  34  18.899  -1.343   3.713
  258    HE1  HIS  34           HE1      HIS  34  22.209   0.671   5.389
  259    HA   PRO  35           HA       PRO  35  18.909  -5.778   8.777
  260   1HB   PRO  35           HB2      PRO  35  16.557  -5.935  10.381
  261   2HB   PRO  35           HB1      PRO  35  18.113  -5.222  10.830
  262   1HG   PRO  35           HG2      PRO  35  15.626  -3.863  10.224
  263   2HG   PRO  35           HG1      PRO  35  17.150  -3.165  10.790
  264   1HD   PRO  35           HD2      PRO  35  16.024  -2.991   8.161
  265   2HD   PRO  35           HD1      PRO  35  17.583  -2.358   8.716
  266    H    ALA  36           HN       ALA  36  15.373  -6.040   8.880
  267    HA   ALA  36           HA       ALA  36  15.466  -8.259   6.906
  268   1HB   ALA  36           HB1      ALA  36  15.124  -8.559   9.771
  269   2HB   ALA  36           HB3      ALA  36  13.690  -9.119   8.911
  270   3HB   ALA  36           HB2      ALA  36  15.269  -9.808   8.534
  271    H    MET  37           HN       MET  37  13.280  -6.471   9.111
  272    HA   MET  37           HA       MET  37  11.001  -6.751   7.340
  273   1HB   MET  37           HB2      MET  37  10.079  -4.873   8.844
  274   2HB   MET  37           HB1      MET  37  10.484  -6.397   9.634
  275   1HG   MET  37           HG2      MET  37  12.024  -5.384  10.923
  276   2HG   MET  37           HG1      MET  37  12.820  -4.702   9.505
  277   1HE   MET  37           HE2      MET  37  13.380  -2.842   9.450
  278   2HE   MET  37           HE1      MET  37  12.432  -1.357   9.454
  279   3HE   MET  37           HE3      MET  37  13.201  -1.924  10.943
  280    H    ILE  38           HN       ILE  38   9.979  -4.939   6.161
  281    HA   ILE  38           HA       ILE  38  11.989  -2.844   5.414
  282    HB   ILE  38           HB       ILE  38  11.711  -3.203   3.184
  283   1HG1  ILE  38          HG12      ILE  38   8.828  -3.524   3.909
  284   2HG1  ILE  38          HG11      ILE  38   9.567  -2.487   2.701
  285   1HG2  ILE  38          HG22      ILE  38  11.882  -5.529   4.535
  286   2HG2  ILE  38          HG21      ILE  38  10.385  -5.820   3.650
  287   3HG2  ILE  38          HG23      ILE  38  11.868  -5.444   2.774
  288   1HD1  ILE  38          HD11      ILE  38  10.162  -4.888   1.622
  289   2HD1  ILE  38          HD13      ILE  38   8.677  -5.317   2.473
  290   3HD1  ILE  38          HD12      ILE  38   8.662  -4.031   1.267
  291    H    ARG  39           HN       ARG  39  10.913  -0.829   4.493
  292    HA   ARG  39           HA       ARG  39   8.215  -0.414   5.709
  293   1HB   ARG  39           HB2      ARG  39  10.641   1.389   5.921
  294   2HB   ARG  39           HB1      ARG  39   9.008   1.886   6.365
  295   1HG   ARG  39           HG2      ARG  39   9.042   0.693   8.297
  296   2HG   ARG  39           HG1      ARG  39   9.843  -0.685   7.540
  297   1HD   ARG  39           HD2      ARG  39  11.853  -0.014   8.289
  298   2HD   ARG  39           HD1      ARG  39  11.621   1.608   7.646
  299    HE   ARG  39           HE       ARG  39  11.501   0.920  10.386
  300   1HH1  ARG  39          HH21      ARG  39   9.584   2.603   8.039
  301   2HH1  ARG  39          HH22      ARG  39   8.645   3.432   9.230
  302   1HH2  ARG  39          HH11      ARG  39  10.298   2.022  11.925
  303   2HH2  ARG  39          HH12      ARG  39   9.053   3.115  11.419
  304    H    ILE  40           HN       ILE  40   6.996   1.339   4.711
  305    HA   ILE  40           HA       ILE  40   8.050   2.502   2.224
  306    HB   ILE  40           HB       ILE  40   5.473   0.950   2.083
  307   1HG1  ILE  40          HG12      ILE  40   8.247  -0.061   1.380
  308   2HG1  ILE  40          HG11      ILE  40   7.280  -0.618   2.747
  309   1HG2  ILE  40          HG21      ILE  40   7.096   2.582   0.313
  310   2HG2  ILE  40          HG23      ILE  40   6.861   0.967  -0.356
  311   3HG2  ILE  40          HG22      ILE  40   5.465   1.958   0.066
  312   1HD1  ILE  40          HD12      ILE  40   6.031  -0.671   0.032
  313   2HD1  ILE  40          HD11      ILE  40   7.229  -1.906   0.417
  314   3HD1  ILE  40          HD13      ILE  40   5.775  -1.749   1.403
  315    H    GLU  41           HN       GLU  41   6.205   3.942   1.245
  316    HA   GLU  41           HA       GLU  41   3.924   4.783   2.667
  317   1HB   GLU  41           HB2      GLU  41   5.443   5.316   4.531
  318   2HB   GLU  41           HB1      GLU  41   6.431   6.311   3.463
  319   1HG   GLU  41           HG2      GLU  41   4.005   7.422   3.013
  320   2HG   GLU  41           HG1      GLU  41   3.787   6.890   4.680
  321    H    ALA  42           HN       ALA  42   2.933   6.505   1.543
  322    HA   ALA  42           HA       ALA  42   4.578   7.970  -0.445
  323   1HB   ALA  42           HB3      ALA  42   2.861   5.771  -1.090
  324   2HB   ALA  42           HB2      ALA  42   2.137   7.246  -1.732
  325   3HB   ALA  42           HB1      ALA  42   3.780   6.798  -2.191
  326    H    GLU  43           HN       GLU  43   2.439   9.174  -1.790
  327    HA   GLU  43           HA       GLU  43   0.803  10.465   0.323
  328   1HB   GLU  43           HB2      GLU  43   2.488  11.958  -1.710
  329   2HB   GLU  43           HB1      GLU  43   1.360  12.700  -0.575
  330   1HG   GLU  43           HG2      GLU  43   3.049  12.804   0.911
  331   2HG   GLU  43           HG1      GLU  43   2.994  11.043   0.999
  332    H    LYS  44           HN       LYS  44  -0.922   9.185  -0.753
  333    HA   LYS  44           HA       LYS  44  -1.755  10.456  -3.326
  334   1HB   LYS  44           HB2      LYS  44  -2.458   7.599  -2.758
  335   2HB   LYS  44           HB1      LYS  44  -2.272   8.417  -4.306
  336   1HG   LYS  44           HG2      LYS  44   0.122   8.094  -2.518
  337   2HG   LYS  44           HG1      LYS  44  -0.422   6.737  -3.500
  338   1HD   LYS  44           HD2      LYS  44  -0.257   8.091  -5.529
  339   2HD   LYS  44           HD1      LYS  44   0.208   9.500  -4.575
  340   1HE   LYS  44           HE2      LYS  44   2.249   8.401  -3.848
  341   2HE   LYS  44           HE1      LYS  44   1.766   6.901  -4.639
  342   1HZ   LYS  44           HZ1      LYS  44   2.081   9.443  -6.122
  343   2HZ   LYS  44           HZ3      LYS  44   3.370   8.364  -5.891
  344   3HZ   LYS  44           HZ2      LYS  44   1.990   7.866  -6.748
  345    H    ARG  45           HN       ARG  45  -4.187   9.178  -3.629
  346    HA   ARG  45           HA       ARG  45  -5.799   9.334  -1.196
  347   1HB   ARG  45           HB2      ARG  45  -7.048  11.316  -1.775
  348   2HB   ARG  45           HB1      ARG  45  -5.339  11.758  -1.829
  349   1HG   ARG  45           HG2      ARG  45  -5.307  11.400  -4.265
  350   2HG   ARG  45           HG1      ARG  45  -7.007  10.933  -4.226
  351   1HD   ARG  45           HD2      ARG  45  -6.625  13.477  -2.887
  352   2HD   ARG  45           HD1      ARG  45  -5.983  13.540  -4.528
  353    HE   ARG  45           HE       ARG  45  -8.460  12.337  -4.835
  354   1HH1  ARG  45          HH21      ARG  45  -7.244  15.223  -3.377
  355   2HH1  ARG  45          HH22      ARG  45  -8.690  16.130  -3.664
  356   1HH2  ARG  45          HH11      ARG  45 -10.352  13.511  -5.209
  357   2HH2  ARG  45          HH12      ARG  45 -10.447  15.164  -4.699
  358    H    LEU  46           HN       LEU  46  -8.177   8.982  -1.803
  359    HA   LEU  46           HA       LEU  46  -8.761   8.293  -4.562
  360   1HB   LEU  46           HB2      LEU  46  -7.534   6.305  -3.051
  361   2HB   LEU  46           HB1      LEU  46  -9.240   5.885  -3.028
  362    HG   LEU  46           HG       LEU  46  -8.113   4.866  -4.971
  363   1HD1  LEU  46          HD11      LEU  46 -10.507   6.075  -4.963
  364   2HD1  LEU  46          HD13      LEU  46  -9.722   7.040  -6.213
  365   3HD1  LEU  46          HD12      LEU  46  -9.855   5.292  -6.403
  366   1HD2  LEU  46          HD23      LEU  46  -6.360   6.648  -5.191
  367   2HD2  LEU  46          HD22      LEU  46  -7.141   6.246  -6.719
  368   3HD2  LEU  46          HD21      LEU  46  -7.591   7.719  -5.862
  369    H    GLU  47           HN       GLU  47 -10.997   7.878  -4.890
  370    HA   GLU  47           HA       GLU  47 -12.755   7.882  -2.499
  371   1HB   GLU  47           HB2      GLU  47 -14.163   9.674  -3.492
  372   2HB   GLU  47           HB1      GLU  47 -12.542  10.255  -3.112
  373   1HG   GLU  47           HG2      GLU  47 -12.301   9.256  -5.701
  374   2HG   GLU  47           HG1      GLU  47 -13.873  10.057  -5.700
  375    H    ILE  48           HN       ILE  48 -14.631   6.668  -2.873
  376    HA   ILE  48           HA       ILE  48 -15.184   5.850  -5.674
  377    HB   ILE  48           HB       ILE  48 -15.615   3.511  -4.551
  378   1HG1  ILE  48          HG12      ILE  48 -13.418   4.612  -2.786
  379   2HG1  ILE  48          HG11      ILE  48 -15.093   4.445  -2.260
  380   1HG2  ILE  48          HG22      ILE  48 -12.960   4.709  -5.337
  381   2HG2  ILE  48          HG21      ILE  48 -13.128   2.994  -4.964
  382   3HG2  ILE  48          HG23      ILE  48 -14.028   3.696  -6.308
  383   1HD1  ILE  48          HD13      ILE  48 -14.998   2.019  -2.786
  384   2HD1  ILE  48          HD12      ILE  48 -13.301   2.201  -3.230
  385   3HD1  ILE  48          HD11      ILE  48 -13.810   2.478  -1.565
  386    H    ARG  49           HN       ARG  49 -17.343   4.798  -5.871
  387    HA   ARG  49           HA       ARG  49 -19.276   6.115  -4.048
  388   1HB   ARG  49           HB2      ARG  49 -19.741   4.646  -6.663
  389   2HB   ARG  49           HB1      ARG  49 -20.935   5.598  -5.781
  390   1HG   ARG  49           HG2      ARG  49 -19.966   7.613  -6.356
  391   2HG   ARG  49           HG1      ARG  49 -18.351   6.918  -6.498
  392   1HD   ARG  49           HD2      ARG  49 -19.735   5.585  -8.466
  393   2HD   ARG  49           HD1      ARG  49 -20.465   7.186  -8.530
  394    HE   ARG  49           HE       ARG  49 -17.923   6.509  -9.582
  395   1HH1  ARG  49          HH21      ARG  49 -19.344   8.903  -7.519
  396   2HH1  ARG  49          HH22      ARG  49 -18.019  10.001  -7.686
  397   1HH2  ARG  49          HH11      ARG  49 -16.219   7.950  -9.814
  398   2HH2  ARG  49          HH12      ARG  49 -16.262   9.470  -8.986
  399    H    ARG  50           HN       ARG  50 -21.343   4.069  -4.838
  400    HA   ARG  50           HA       ARG  50 -20.731   2.170  -2.670
  401   1HB   ARG  50           HB2      ARG  50 -23.045   3.381  -3.399
  402   2HB   ARG  50           HB1      ARG  50 -23.214   1.852  -4.263
  403   1HG   ARG  50           HG2      ARG  50 -22.292   0.998  -1.830
  404   2HG   ARG  50           HG1      ARG  50 -23.276   2.385  -1.364
  405   1HD   ARG  50           HD2      ARG  50 -24.841   1.120  -3.261
  406   2HD   ARG  50           HD1      ARG  50 -24.109  -0.231  -2.398
  407    HE   ARG  50           HE       ARG  50 -26.248   1.344  -1.428
  408   1HH1  ARG  50          HH21      ARG  50 -23.143   0.232  -0.362
  409   2HH1  ARG  50          HH22      ARG  50 -23.481   0.530   1.306
  410   1HH2  ARG  50          HH11      ARG  50 -26.686   1.700   0.742
  411   2HH2  ARG  50          HH12      ARG  50 -25.479   1.343   1.932
  412    H    GLU  51           HN       GLU  51 -21.342   2.096  -6.178
  413    HA   GLU  51           HA       GLU  51 -21.354  -0.701  -6.554
  414   1HB   GLU  51           HB2      GLU  51 -21.728   1.159  -8.292
  415   2HB   GLU  51           HB1      GLU  51 -19.972   1.204  -8.445
  416   1HG   GLU  51           HG2      GLU  51 -19.980  -1.230  -8.958
  417   2HG   GLU  51           HG1      GLU  51 -21.743  -1.217  -8.889
  418    H    THR  52           HN       THR  52 -18.684   1.507  -5.954
  419    HA   THR  52           HA       THR  52 -16.563  -0.265  -6.679
  420    HB   THR  52           HB       THR  52 -16.230   1.561  -4.336
  421    HG1  THR  52           HG1      THR  52 -17.350   2.968  -5.479
  422   1HG2  THR  52          HG22      THR  52 -14.583   0.204  -6.169
  423   2HG2  THR  52          HG21      THR  52 -14.468   1.909  -6.605
  424   3HG2  THR  52          HG23      THR  52 -14.078   1.389  -4.966
  425    H    VAL  53           HN       VAL  53 -18.402   0.156  -3.664
  426    HA   VAL  53           HA       VAL  53 -16.974  -1.499  -1.933
  427    HB   VAL  53           HB       VAL  53 -19.988  -1.629  -2.274
  428   1HG1  VAL  53          HG11      VAL  53 -18.271  -2.962  -0.544
  429   2HG1  VAL  53          HG13      VAL  53 -18.837  -1.595   0.416
  430   3HG1  VAL  53          HG12      VAL  53 -20.000  -2.716  -0.292
  431   1HG2  VAL  53          HG22      VAL  53 -18.214   0.567  -1.414
  432   2HG2  VAL  53          HG21      VAL  53 -19.892   0.623  -1.952
  433   3HG2  VAL  53          HG23      VAL  53 -19.515   0.200  -0.282
  434    H    GLU  54           HN       GLU  54 -18.943  -2.361  -4.707
  435    HA   GLU  54           HA       GLU  54 -18.898  -5.219  -4.212
  436   1HB   GLU  54           HB2      GLU  54 -20.607  -4.487  -5.696
  437   2HB   GLU  54           HB1      GLU  54 -19.484  -3.503  -6.633
  438   1HG   GLU  54           HG2      GLU  54 -18.769  -5.271  -7.880
  439   2HG   GLU  54           HG1      GLU  54 -18.818  -6.382  -6.511
  440    H    GLU  55           HN       GLU  55 -17.018  -2.973  -6.244
  441    HA   GLU  55           HA       GLU  55 -15.273  -4.834  -7.439
  442   1HB   GLU  55           HB2      GLU  55 -14.566  -2.066  -6.415
  443   2HB   GLU  55           HB1      GLU  55 -13.673  -2.979  -7.630
  444   1HG   GLU  55           HG2      GLU  55 -16.486  -1.887  -7.851
  445   2HG   GLU  55           HG1      GLU  55 -15.084  -1.456  -8.832
  446    H    ASN  56           HN       ASN  56 -14.702  -3.057  -4.359
  447    HA   ASN  56           HA       ASN  56 -12.315  -4.386  -3.647
  448   1HB   ASN  56           HB2      ASN  56 -14.227  -2.658  -2.364
  449   2HB   ASN  56           HB1      ASN  56 -13.795  -3.964  -1.262
  450   1HD2  ASN  56          HD22      ASN  56 -10.189  -3.030  -1.649
  451   2HD2  ASN  56          HD21      ASN  56 -11.103  -4.421  -1.983
  452    H    LEU  57           HN       LEU  57 -15.690  -5.379  -3.270
  453    HA   LEU  57           HA       LEU  57 -15.316  -7.570  -1.517
  454   1HB   LEU  57           HB2      LEU  57 -17.550  -6.824  -2.162
  455   2HB   LEU  57           HB1      LEU  57 -17.248  -7.281  -3.838
  456    HG   LEU  57           HG       LEU  57 -16.712  -9.640  -2.766
  457   1HD1  LEU  57          HD12      LEU  57 -18.334  -8.183  -0.684
  458   2HD1  LEU  57          HD11      LEU  57 -18.442  -9.935  -0.855
  459   3HD1  LEU  57          HD13      LEU  57 -16.897  -9.181  -0.459
  460   1HD2  LEU  57          HD21      LEU  57 -19.326  -8.347  -3.456
  461   2HD2  LEU  57          HD23      LEU  57 -18.463  -9.639  -4.291
  462   3HD2  LEU  57          HD22      LEU  57 -19.346  -9.986  -2.805
  463    H    GLY  58           HN       GLY  58 -15.347  -7.609  -5.105
  464   1HA   GLY  58           HA2      GLY  58 -14.414 -10.345  -5.238
  465   2HA   GLY  58           HA1      GLY  58 -14.456  -9.207  -6.587
  466    H    ARG  59           HN       ARG  59 -12.878  -7.447  -4.440
  467    HA   ARG  59           HA       ARG  59 -10.212  -8.544  -5.242
  468   1HB   ARG  59           HB2      ARG  59 -11.119  -6.153  -5.969
  469   2HB   ARG  59           HB1      ARG  59 -10.565  -5.706  -4.356
  470   1HG   ARG  59           HG2      ARG  59  -8.332  -6.253  -4.829
  471   2HG   ARG  59           HG1      ARG  59  -8.774  -7.279  -6.195
  472   1HD   ARG  59           HD2      ARG  59  -9.800  -4.827  -6.928
  473   2HD   ARG  59           HD1      ARG  59  -8.311  -4.375  -6.104
  474    HE   ARG  59           HE       ARG  59  -8.464  -5.437  -8.726
  475   1HH1  ARG  59          HH21      ARG  59  -6.751  -6.018  -5.770
  476   2HH1  ARG  59          HH22      ARG  59  -5.509  -6.943  -6.537
  477   1HH2  ARG  59          HH11      ARG  59  -6.836  -6.616  -9.716
  478   2HH2  ARG  59          HH12      ARG  59  -5.548  -7.273  -8.762
  479    H    ALA  60           HN       ALA  60 -12.203  -8.549  -2.678
  480    HA   ALA  60           HA       ALA  60 -10.373  -7.639  -0.589
  481   1HB   ALA  60           HB1      ALA  60 -13.018  -9.097  -0.588
  482   2HB   ALA  60           HB3      ALA  60 -12.097  -8.855   0.897
  483   3HB   ALA  60           HB2      ALA  60 -12.669  -7.464  -0.023
  484    H    TRP  61           HN       TRP  61 -10.859 -10.544  -2.387
  485    HA   TRP  61           HA       TRP  61  -9.529 -12.219  -0.351
  486   1HB   TRP  61           HB2      TRP  61 -11.414 -12.820  -2.222
  487   2HB   TRP  61           HB1      TRP  61  -9.947 -13.297  -3.077
  488    HD1  TRP  61           HD1      TRP  61  -8.461 -14.022  -0.193
  489    HE1  TRP  61           HE1      TRP  61  -9.013 -16.317   0.844
  490    HE3  TRP  61           HE3      TRP  61 -12.836 -15.060  -2.619
  491    HZ2  TRP  61           HZ2      TRP  61 -11.038 -18.326   0.667
  492    HZ3  TRP  61           HZ3      TRP  61 -14.054 -17.170  -2.164
  493    HH2  TRP  61           HH2      TRP  61 -13.161 -18.803  -0.525
  494    H    ASP  62           HN       ASP  62  -8.212  -9.912  -1.808
  495    HA   ASP  62           HA       ASP  62  -5.984 -11.429  -3.098
  496   1HB   ASP  62           HB2      ASP  62  -7.150  -8.703  -3.530
  497   2HB   ASP  62           HB1      ASP  62  -5.428  -8.931  -3.833
  498    H    VAL  63           HN       VAL  63  -6.229 -11.287  -0.259
  499    HA   VAL  63           HA       VAL  63  -4.327  -9.194   0.608
  500    HB   VAL  63           HB       VAL  63  -5.406 -11.361   2.392
  501   1HG1  VAL  63          HG12      VAL  63  -4.239  -8.644   2.630
  502   2HG1  VAL  63          HG11      VAL  63  -5.570  -9.004   3.730
  503   3HG1  VAL  63          HG13      VAL  63  -4.129 -10.019   3.729
  504   1HG2  VAL  63          HG22      VAL  63  -6.964  -9.418   0.864
  505   2HG2  VAL  63          HG21      VAL  63  -7.521 -10.775   1.843
  506   3HG2  VAL  63          HG23      VAL  63  -7.181  -9.220   2.603
  507    H    GLN  64           HN       GLN  64  -4.110 -12.258  -0.704
  508    HA   GLN  64           HA       GLN  64  -2.240 -13.657   0.837
  509   1HB   GLN  64           HB2      GLN  64  -2.604 -13.384  -2.141
  510   2HB   GLN  64           HB1      GLN  64  -1.289 -14.361  -1.485
  511   1HG   GLN  64           HG2      GLN  64  -3.220 -15.795  -1.864
  512   2HG   GLN  64           HG1      GLN  64  -2.968 -15.624  -0.126
  513   1HE2  GLN  64          HE22      GLN  64  -6.196 -14.334   0.365
  514   2HE2  GLN  64          HE21      GLN  64  -4.855 -15.157   1.001
  515    H    GLU  65           HN       GLU  65  -1.813 -10.695  -0.952
  516    HA   GLU  65           HA       GLU  65   1.053 -10.760  -1.143
  517   1HB   GLU  65           HB2      GLU  65  -0.903  -8.446  -1.038
  518   2HB   GLU  65           HB1      GLU  65   0.821  -8.258  -1.362
  519   1HG   GLU  65           HG2      GLU  65  -1.098  -9.947  -2.994
  520   2HG   GLU  65           HG1      GLU  65  -0.469  -8.367  -3.465
  521    H    MET  66           HN       MET  66  -1.159  -9.405   1.305
  522    HA   MET  66           HA       MET  66   0.823  -8.266   2.993
  523   1HB   MET  66           HB2      MET  66  -2.003  -8.951   3.172
  524   2HB   MET  66           HB1      MET  66  -1.171  -9.227   4.702
  525   1HG   MET  66           HG2      MET  66  -0.233  -6.931   4.587
  526   2HG   MET  66           HG1      MET  66  -1.126  -6.658   3.091
  527   1HE   MET  66           HE3      MET  66  -1.631  -8.225   6.603
  528   2HE   MET  66           HE2      MET  66  -1.106  -6.563   6.862
  529   3HE   MET  66           HE1      MET  66  -2.722  -7.055   7.359
  530    H    LEU  67           HN       LEU  67   0.123 -11.551   2.299
  531    HA   LEU  67           HA       LEU  67   1.099 -12.644   4.823
  532   1HB   LEU  67           HB2      LEU  67  -0.426 -14.020   3.599
  533   2HB   LEU  67           HB1      LEU  67   0.505 -13.848   2.111
  534    HG   LEU  67           HG       LEU  67   2.316 -15.162   2.999
  535   1HD1  LEU  67          HD13      LEU  67   0.861 -14.707   5.581
  536   2HD1  LEU  67          HD12      LEU  67   1.833 -16.166   5.400
  537   3HD1  LEU  67          HD11      LEU  67   2.585 -14.580   5.234
  538   1HD2  LEU  67          HD21      LEU  67  -0.453 -16.172   3.090
  539   2HD2  LEU  67          HD23      LEU  67   0.961 -16.842   2.277
  540   3HD2  LEU  67          HD22      LEU  67   0.701 -17.154   3.993
  541    H    VAL  68           HN       VAL  68   2.418 -12.507   1.496
  542    HA   VAL  68           HA       VAL  68   4.994 -13.544   2.230
  543    HB   VAL  68           HB       VAL  68   4.626 -11.662  -0.083
  544   1HG1  VAL  68          HG12      VAL  68   6.088 -14.285   0.344
  545   2HG1  VAL  68          HG11      VAL  68   6.067 -13.384  -1.172
  546   3HG1  VAL  68          HG13      VAL  68   6.819 -12.682   0.260
  547   1HG2  VAL  68          HG23      VAL  68   3.182 -14.212   0.431
  548   2HG2  VAL  68          HG22      VAL  68   2.720 -12.843  -0.581
  549   3HG2  VAL  68          HG21      VAL  68   3.886 -14.026  -1.175
  550    H    ASP  69           HN       ASP  69   3.991 -10.184   1.483
  551    HA   ASP  69           HA       ASP  69   6.455  -9.224   2.844
  552   1HB   ASP  69           HB2      ASP  69   4.656  -7.203   1.686
  553   2HB   ASP  69           HB1      ASP  69   6.383  -7.439   1.442
  554    H    VAL  70           HN       VAL  70   5.680  -9.674   5.016
  555    HA   VAL  70           HA       VAL  70   3.316  -8.085   5.921
  556    HB   VAL  70           HB       VAL  70   3.329 -10.440   6.559
  557   1HG1  VAL  70          HG11      VAL  70   6.126  -9.890   6.817
  558   2HG1  VAL  70          HG13      VAL  70   5.544 -10.424   8.393
  559   3HG1  VAL  70          HG12      VAL  70   5.317 -11.448   6.975
  560   1HG2  VAL  70          HG22      VAL  70   4.071  -8.607   8.871
  561   2HG2  VAL  70          HG21      VAL  70   2.455  -8.773   8.184
  562   3HG2  VAL  70          HG23      VAL  70   3.203 -10.135   9.018
  563    H    ILE  71           HN       ILE  71   3.489  -6.485   7.483
  564    HA   ILE  71           HA       ILE  71   5.466  -6.164   9.434
  565    HB   ILE  71           HB       ILE  71   6.118  -4.565   6.949
  566   1HG1  ILE  71          HG12      ILE  71   7.589  -6.413   7.052
  567   2HG1  ILE  71          HG11      ILE  71   8.490  -5.144   7.855
  568   1HG2  ILE  71          HG21      ILE  71   6.729  -3.957   9.842
  569   2HG2  ILE  71          HG23      ILE  71   7.684  -3.294   8.519
  570   3HG2  ILE  71          HG22      ILE  71   5.975  -2.905   8.656
  571   1HD1  ILE  71          HD12      ILE  71   7.349  -6.030  10.030
  572   2HD1  ILE  71          HD11      ILE  71   7.078  -7.495   9.091
  573   3HD1  ILE  71          HD13      ILE  71   8.719  -6.915   9.363
  574    H    THR  72           HN       THR  72   4.457  -3.388   7.432
  575    HA   THR  72           HA       THR  72   2.382  -2.783   9.482
  576    HB   THR  72           HB       THR  72   4.077  -0.600   8.327
  577    HG1  THR  72           HG1      THR  72   4.644  -1.867  10.777
  578   1HG2  THR  72          HG21      THR  72   2.001  -0.902  10.352
  579   2HG2  THR  72          HG23      THR  72   3.438  -0.104  10.992
  580   3HG2  THR  72          HG22      THR  72   2.612   0.563   9.584
  581    H    ILE  73           HN       ILE  73   1.065  -0.770   8.730
  582    HA   ILE  73           HA       ILE  73   0.734  -0.440   5.854
  583    HB   ILE  73           HB       ILE  73  -1.804  -1.351   7.080
  584   1HG1  ILE  73          HG12      ILE  73   0.274  -3.414   6.299
  585   2HG1  ILE  73          HG11      ILE  73  -0.040  -2.964   7.976
  586   1HG2  ILE  73          HG21      ILE  73  -1.395  -0.683   4.668
  587   2HG2  ILE  73          HG23      ILE  73  -0.436  -2.153   4.500
  588   3HG2  ILE  73          HG22      ILE  73  -2.155  -2.260   4.883
  589   1HD1  ILE  73          HD13      ILE  73  -2.567  -3.426   6.784
  590   2HD1  ILE  73          HD12      ILE  73  -1.529  -4.764   6.293
  591   3HD1  ILE  73          HD11      ILE  73  -1.760  -4.409   8.005
  592    H    GLY  74           HN       GLY  74  -1.023   1.217   5.445
  593   1HA   GLY  74           HA2      GLY  74  -2.367   2.593   7.546
  594   2HA   GLY  74           HA1      GLY  74  -0.832   3.406   7.239
  595    H    GLY  75           HN       GLY  75  -2.751   1.758   4.795
  596   1HA   GLY  75           HA2      GLY  75  -3.945   4.198   3.748
  597   2HA   GLY  75           HA1      GLY  75  -2.598   3.613   2.771
  598    H    ASN  76           HN       ASN  76  -5.806   2.783   3.986
  599    HA   ASN  76           HA       ASN  76  -6.005   0.763   1.793
  600   1HB   ASN  76           HB2      ASN  76  -7.248   0.531   4.543
  601   2HB   ASN  76           HB1      ASN  76  -7.307  -0.673   3.256
  602   1HD2  ASN  76          HD22      ASN  76  -4.409  -1.195   5.762
  603   2HD2  ASN  76          HD21      ASN  76  -6.003  -0.694   6.063
  604    H    VAL  77           HN       VAL  77  -8.854   0.443   3.064
  605    HA   VAL  77           HA       VAL  77  -9.988   2.847   1.704
  606    HB   VAL  77           HB       VAL  77 -10.451   0.811   0.427
  607   1HG1  VAL  77          HG12      VAL  77 -10.191  -0.701   2.452
  608   2HG1  VAL  77          HG11      VAL  77 -11.831  -0.240   2.909
  609   3HG1  VAL  77          HG13      VAL  77 -11.545  -1.098   1.395
  610   1HG2  VAL  77          HG21      VAL  77 -12.693   2.122   1.937
  611   2HG2  VAL  77          HG23      VAL  77 -12.291   2.234   0.224
  612   3HG2  VAL  77          HG22      VAL  77 -13.055   0.777   0.856
  613    H    ASP  78           HN       ASP  78 -11.195   4.137   2.971
  614    HA   ASP  78           HA       ASP  78 -12.055   3.071   5.620
  615   1HB   ASP  78           HB2      ASP  78 -12.208   5.983   5.041
  616   2HB   ASP  78           HB1      ASP  78 -11.681   5.150   6.498
  617    H    GLU  79           HN       GLU  79 -14.211   3.394   6.320
  618    HA   GLU  79           HA       GLU  79 -16.137   3.955   4.112
  619   1HB   GLU  79           HB2      GLU  79 -17.787   2.871   5.741
  620   2HB   GLU  79           HB1      GLU  79 -16.548   1.805   5.079
  621   1HG   GLU  79           HG2      GLU  79 -15.649   3.166   7.502
  622   2HG   GLU  79           HG1      GLU  79 -17.090   2.188   7.782
  623    H    ASP  80           HN       ASP  80 -17.461   5.742   4.260
  624    HA   ASP  80           HA       ASP  80 -17.186   7.389   6.733
  625   1HB   ASP  80           HB2      ASP  80 -17.594   8.020   3.841
  626   2HB   ASP  80           HB1      ASP  80 -18.280   9.125   5.033
  627    H    ASP  81           HN       ASP  81 -19.765   7.904   4.426
  628    HA   ASP  81           HA       ASP  81 -21.708   7.203   6.579
  629   1HB   ASP  81           HB2      ASP  81 -21.936   9.490   5.885
  630   2HB   ASP  81           HB1      ASP  81 -21.898   9.038   4.182
  631    H    ASP  82           HN       ASP  82 -22.089   7.381   3.037
  632    HA   ASP  82           HA       ASP  82 -23.116   4.569   3.134
  633   1HB   ASP  82           HB2      ASP  82 -24.162   7.023   1.745
  634   2HB   ASP  82           HB1      ASP  82 -24.453   5.433   1.037
  635    H    ARG  83           HN       ARG  83 -21.275   7.006   1.425
  636    HA   ARG  83           HA       ARG  83 -20.628   5.243  -0.818
  637   1HB   ARG  83           HB2      ARG  83 -20.161   8.037  -0.036
  638   2HB   ARG  83           HB1      ARG  83 -18.783   7.294  -0.841
  639   1HG   ARG  83           HG2      ARG  83 -20.144   8.223  -2.581
  640   2HG   ARG  83           HG1      ARG  83 -20.425   6.482  -2.620
  641   1HD   ARG  83           HD2      ARG  83 -22.286   7.398  -0.777
  642   2HD   ARG  83           HD1      ARG  83 -22.291   8.656  -2.011
  643    HE   ARG  83           HE       ARG  83 -23.531   6.122  -2.261
  644   1HH1  ARG  83          HH21      ARG  83 -21.347   8.147  -4.030
  645   2HH1  ARG  83          HH22      ARG  83 -21.612   7.322  -5.526
  646   1HH2  ARG  83          HH11      ARG  83 -23.887   5.072  -4.209
  647   2HH2  ARG  83          HH12      ARG  83 -23.048   5.593  -5.631
  648    H    PHE  84           HN       PHE  84 -17.937   5.440  -1.170
  649    HA   PHE  84           HA       PHE  84 -16.720   4.472   1.378
  650   1HB   PHE  84           HB2      PHE  84 -17.407   2.825  -0.806
  651   2HB   PHE  84           HB1      PHE  84 -15.661   3.049  -0.913
  652    HD1  PHE  84           HD1      PHE  84 -14.326   2.788   1.327
  653    HD2  PHE  84           HD2      PHE  84 -18.276   1.241   0.681
  654    HE1  PHE  84           HE1      PHE  84 -14.006   1.199   3.203
  655    HE2  PHE  84           HE2      PHE  84 -17.960  -0.351   2.556
  656    HZ   PHE  84           HZ       PHE  84 -15.824  -0.372   3.817
  657    H    VAL  85           HN       VAL  85 -14.341   4.615   1.343
  658    HA   VAL  85           HA       VAL  85 -13.213   6.282  -0.833
  659    HB   VAL  85           HB       VAL  85 -14.082   7.692   1.195
  660   1HG1  VAL  85          HG11      VAL  85 -12.548   5.914   2.625
  661   2HG1  VAL  85          HG13      VAL  85 -11.436   7.270   2.438
  662   3HG1  VAL  85          HG12      VAL  85 -13.007   7.516   3.200
  663   1HG2  VAL  85          HG21      VAL  85 -12.472   8.348  -0.700
  664   2HG2  VAL  85          HG23      VAL  85 -12.364   9.291   0.787
  665   3HG2  VAL  85          HG22      VAL  85 -11.172   8.036   0.450
  666    H    LEU  86           HN       LEU  86 -10.773   6.469  -0.491
  667    HA   LEU  86           HA       LEU  86  -9.363   4.739   1.245
  668   1HB   LEU  86           HB2      LEU  86  -8.656   3.105  -0.503
  669   2HB   LEU  86           HB1      LEU  86 -10.341   2.926  -0.045
  670    HG   LEU  86           HG       LEU  86 -10.429   4.785  -2.073
  671   1HD1  LEU  86          HD12      LEU  86  -8.383   2.638  -2.723
  672   2HD1  LEU  86          HD11      LEU  86  -9.098   3.737  -3.902
  673   3HD1  LEU  86          HD13      LEU  86  -8.074   4.368  -2.616
  674   1HD2  LEU  86          HD22      LEU  86 -11.686   2.510  -1.511
  675   2HD2  LEU  86          HD21      LEU  86 -11.719   3.183  -3.140
  676   3HD2  LEU  86          HD23      LEU  86 -10.604   1.875  -2.748
  677    H    GLU  87           HN       GLU  87  -7.119   4.236  -0.299
  678    HA   GLU  87           HA       GLU  87  -6.470   6.957  -1.349
  679   1HB   GLU  87           HB2      GLU  87  -5.361   6.049   0.854
  680   2HB   GLU  87           HB1      GLU  87  -4.311   5.202  -0.275
  681   1HG   GLU  87           HG2      GLU  87  -3.179   7.106  -0.661
  682   2HG   GLU  87           HG1      GLU  87  -4.664   7.880  -1.205
  683    H    TRP  88           HN       TRP  88  -4.425   6.857  -2.743
  684    HA   TRP  88           HA       TRP  88  -5.044   5.155  -4.974
  685   1HB   TRP  88           HB2      TRP  88  -3.787   7.503  -4.813
  686   2HB   TRP  88           HB1      TRP  88  -2.368   6.454  -4.817
  687    HD1  TRP  88           HD1      TRP  88  -4.885   4.631  -6.677
  688    HE1  TRP  88           HE1      TRP  88  -4.622   4.966  -9.216
  689    HE3  TRP  88           HE3      TRP  88  -1.752   8.672  -6.725
  690    HZ2  TRP  88           HZ2      TRP  88  -3.270   6.711 -11.031
  691    HZ3  TRP  88           HZ3      TRP  88  -0.997   9.647  -8.875
  692    HH2  TRP  88           HH2      TRP  88  -1.751   8.672 -11.026
  693    H    LYS  89           HN       LYS  89  -4.296   3.111  -5.385
  694    HA   LYS  89           HA       LYS  89  -2.121   2.076  -3.620
  695   1HB   LYS  89           HB2      LYS  89  -4.599   0.918  -4.740
  696   2HB   LYS  89           HB1      LYS  89  -3.190  -0.141  -4.810
  697   1HG   LYS  89           HG2      LYS  89  -2.998  -0.273  -2.516
  698   2HG   LYS  89           HG1      LYS  89  -3.684   1.332  -2.261
  699   1HD   LYS  89           HD2      LYS  89  -5.916   0.445  -2.935
  700   2HD   LYS  89           HD1      LYS  89  -5.207  -1.165  -3.060
  701   1HE   LYS  89           HE2      LYS  89  -5.304   0.543  -0.556
  702   2HE   LYS  89           HE1      LYS  89  -6.288  -0.885  -0.874
  703   1HZ   LYS  89           HZ2      LYS  89  -4.233  -2.181  -1.056
  704   2HZ   LYS  89           HZ1      LYS  89  -3.329  -0.802  -0.647
  705   3HZ   LYS  89           HZ3      LYS  89  -4.405  -1.472   0.478
  706    H    ASN  90           HN       ASN  90  -0.558   0.583  -4.640
  707    HA   ASN  90           HA       ASN  90   0.309   1.599  -7.242
  708   1HB   ASN  90           HB2      ASN  90   1.945   1.041  -5.466
  709   2HB   ASN  90           HB1      ASN  90   1.438  -0.646  -5.541
  710   1HD2  ASN  90          HD22      ASN  90   3.355  -1.360  -8.420
  711   2HD2  ASN  90          HD21      ASN  90   2.289  -1.948  -7.237
   
  No H/Q in entry =         711
  Start of MODEL    6
    1   1H    MET   1           HT3      MET   1   5.216  17.606   1.457
    2   2H    MET   1           HT2      MET   1   5.503  18.714   2.713
    3   3H    MET   1           HT1      MET   1   6.143  17.142   2.799
    4    HA   MET   1           HA       MET   1   3.981  16.186   3.031
    5   1HB   MET   1           HB2      MET   1   4.800  18.443   4.819
    6   2HB   MET   1           HB1      MET   1   3.225  17.696   5.087
    7   1HG   MET   1           HG2      MET   1   4.513  16.298   6.392
    8   2HG   MET   1           HG1      MET   1   4.666  15.458   4.849
    9   1HE   MET   1           HE2      MET   1   6.070  15.457   7.413
   10   2HE   MET   1           HE1      MET   1   7.751  15.166   6.974
   11   3HE   MET   1           HE3      MET   1   7.283  16.694   7.733
   12    H    SER   2           HN       SER   2   3.492  17.699   0.735
   13    HA   SER   2           HA       SER   2   1.267  19.543   1.364
   14   1HB   SER   2           HB2      SER   2   1.202  19.575  -1.258
   15   2HB   SER   2           HB1      SER   2   2.523  20.386  -0.422
   16    HG   SER   2           HG       SER   2   3.585  19.124  -1.799
   17    H    SER   3           HN       SER   3   1.832  16.354  -0.036
   18    HA   SER   3           HA       SER   3  -0.812  15.433   0.605
   19   1HB   SER   3           HB2      SER   3  -1.153  15.052  -2.070
   20   2HB   SER   3           HB1      SER   3  -1.877  16.384  -1.174
   21    HG   SER   3           HG       SER   3   0.654  16.428  -2.470
   22    H    LEU   4           HN       LEU   4   0.389  13.642   1.417
   23    HA   LEU   4           HA       LEU   4   1.420  11.858  -0.720
   24   1HB   LEU   4           HB2      LEU   4   3.160  11.217   1.180
   25   2HB   LEU   4           HB1      LEU   4   3.483  12.550   0.074
   26    HG   LEU   4           HG       LEU   4   2.467  14.113   1.745
   27   1HD1  LEU   4          HD13      LEU   4   1.904  11.534   3.043
   28   2HD1  LEU   4          HD12      LEU   4   2.608  12.733   4.127
   29   3HD1  LEU   4          HD11      LEU   4   1.116  13.096   3.260
   30   1HD2  LEU   4          HD22      LEU   4   4.818  12.387   2.559
   31   2HD2  LEU   4          HD21      LEU   4   4.857  13.959   1.762
   32   3HD2  LEU   4          HD23      LEU   4   4.357  13.838   3.449
   33    H    VAL   5           HN       VAL   5   1.429   9.603  -0.143
   34    HA   VAL   5           HA       VAL   5  -0.519   8.971   2.030
   35    HB   VAL   5           HB       VAL   5  -1.451   7.347   0.670
   36   1HG1  VAL   5          HG11      VAL   5  -1.061   9.777  -0.513
   37   2HG1  VAL   5          HG13      VAL   5  -0.422   8.682  -1.738
   38   3HG1  VAL   5          HG12      VAL   5  -2.084   8.500  -1.173
   39   1HG2  VAL   5          HG21      VAL   5   1.332   7.043  -0.332
   40   2HG2  VAL   5          HG23      VAL   5   0.149   5.803   0.085
   41   3HG2  VAL   5          HG22      VAL   5   0.045   6.635  -1.467
   42    H    TYR   6           HN       TYR   6  -0.118   6.369   2.488
   43    HA   TYR   6           HA       TYR   6   2.786   5.847   2.621
   44   1HB   TYR   6           HB2      TYR   6   2.790   6.770   4.731
   45   2HB   TYR   6           HB1      TYR   6   1.051   6.587   4.924
   46    HD1  TYR   6           HD1      TYR   6   3.682   4.048   4.149
   47    HD2  TYR   6           HD2      TYR   6   0.724   5.417   6.927
   48    HE1  TYR   6           HE1      TYR   6   4.047   2.033   5.513
   49    HE2  TYR   6           HE2      TYR   6   1.088   3.395   8.309
   50    HH   TYR   6           HH       TYR   6   1.996   1.282   8.273
   51    H    ILE   7           HN       ILE   7   3.147   3.613   2.503
   52    HA   ILE   7           HA       ILE   7   0.852   1.778   2.935
   53    HB   ILE   7           HB       ILE   7   1.607   0.663   0.731
   54   1HG1  ILE   7          HG12      ILE   7   2.370   3.386  -0.175
   55   2HG1  ILE   7          HG11      ILE   7   3.570   2.525   0.791
   56   1HG2  ILE   7          HG23      ILE   7   0.037   3.199   1.054
   57   2HG2  ILE   7          HG22      ILE   7   0.266   2.524  -0.559
   58   3HG2  ILE   7          HG21      ILE   7  -0.541   1.573   0.687
   59   1HD1  ILE   7          HD13      ILE   7   2.354   0.780  -1.197
   60   2HD1  ILE   7          HD12      ILE   7   3.102   2.191  -1.947
   61   3HD1  ILE   7          HD11      ILE   7   4.059   1.130  -0.913
   62    H    ALA   8           HN       ALA   8   1.569  -0.154   3.913
   63    HA   ALA   8           HA       ALA   8   4.433  -0.832   3.550
   64   1HB   ALA   8           HB3      ALA   8   3.134  -0.124   6.161
   65   2HB   ALA   8           HB2      ALA   8   4.465  -1.281   6.119
   66   3HB   ALA   8           HB1      ALA   8   4.706   0.361   5.535
   67    H    PHE   9           HN       PHE   9   4.893  -3.017   3.846
   68    HA   PHE   9           HA       PHE   9   2.640  -4.782   4.571
   69   1HB   PHE   9           HB2      PHE   9   2.923  -6.109   2.653
   70   2HB   PHE   9           HB1      PHE   9   2.983  -4.472   2.032
   71    HD1  PHE   9           HD2      PHE   9   5.261  -3.402   1.648
   72    HD2  PHE   9           HD1      PHE   9   4.737  -7.598   2.382
   73    HE1  PHE   9           HE2      PHE   9   7.506  -3.849   0.703
   74    HE2  PHE   9           HE1      PHE   9   6.982  -8.044   1.438
   75    HZ   PHE   9           HZ       PHE   9   8.369  -6.170   0.593
   76    H    GLN  10           HN       GLN  10   3.682  -7.136   4.737
   77    HA   GLN  10           HA       GLN  10   6.463  -6.945   5.751
   78   1HB   GLN  10           HB2      GLN  10   4.618  -6.708   7.610
   79   2HB   GLN  10           HB1      GLN  10   4.420  -8.443   7.380
   80   1HG   GLN  10           HG2      GLN  10   6.902  -6.966   8.256
   81   2HG   GLN  10           HG1      GLN  10   6.019  -8.217   9.127
   82   1HE2  GLN  10          HE22      GLN  10   8.535  -9.301   6.069
   83   2HE2  GLN  10          HE21      GLN  10   7.999  -7.704   6.186
   84    H    ASP  11           HN       ASP  11   6.810  -8.156   3.712
   85    HA   ASP  11           HA       ASP  11   5.850 -10.986   3.880
   86   1HB   ASP  11           HB2      ASP  11   5.466  -9.381   1.788
   87   2HB   ASP  11           HB1      ASP  11   7.099  -9.914   1.386
   88    H    ASN  12           HN       ASN  12   7.564 -12.466   2.615
   89    HA   ASN  12           HA       ASN  12  10.267 -11.785   3.706
   90   1HB   ASN  12           HB2      ASN  12   8.784 -13.766   4.713
   91   2HB   ASN  12           HB1      ASN  12   9.453 -14.636   3.332
   92   1HD2  ASN  12          HD22      ASN  12  12.265 -13.086   5.906
   93   2HD2  ASN  12          HD21      ASN  12  10.950 -12.120   5.438
   94    H    ASP  13           HN       ASP  13   8.810 -11.652   0.940
   95    HA   ASP  13           HA       ASP  13  10.499 -13.446  -0.661
   96   1HB   ASP  13           HB2      ASP  13   8.212 -11.601  -1.173
   97   2HB   ASP  13           HB1      ASP  13   9.335 -11.874  -2.507
   98    H    ASN  14           HN       ASN  14  12.620 -12.783  -0.654
   99    HA   ASN  14           HA       ASN  14  13.444 -10.030  -0.527
  100   1HB   ASN  14           HB2      ASN  14  14.712 -12.629  -0.651
  101   2HB   ASN  14           HB1      ASN  14  15.499 -11.516  -1.771
  102   1HD2  ASN  14          HD22      ASN  14  16.641 -11.193   1.934
  103   2HD2  ASN  14          HD21      ASN  14  16.194 -12.602   1.100
  104    H    ALA  15           HN       ALA  15  12.017 -11.815  -2.998
  105    HA   ALA  15           HA       ALA  15  13.436 -10.756  -5.263
  106   1HB   ALA  15           HB3      ALA  15  11.884 -12.759  -5.293
  107   2HB   ALA  15           HB2      ALA  15  10.538 -11.623  -5.189
  108   3HB   ALA  15           HB1      ALA  15  11.609 -11.596  -6.590
  109    H    ARG  16           HN       ARG  16  10.280  -9.879  -3.853
  110    HA   ARG  16           HA       ARG  16   9.914  -7.534  -5.418
  111   1HB   ARG  16           HB2      ARG  16   8.132  -7.041  -3.976
  112   2HB   ARG  16           HB1      ARG  16   8.277  -8.790  -3.813
  113   1HG   ARG  16           HG2      ARG  16   9.978  -8.092  -1.873
  114   2HG   ARG  16           HG1      ARG  16   8.976  -6.640  -1.860
  115   1HD   ARG  16           HD2      ARG  16   7.921  -9.475  -1.649
  116   2HD   ARG  16           HD1      ARG  16   8.134  -8.375  -0.288
  117    HE   ARG  16           HE       ARG  16   6.540  -6.951  -2.055
  118   1HH1  ARG  16          HH21      ARG  16   6.458 -10.067  -0.563
  119   2HH1  ARG  16          HH22      ARG  16   4.728 -10.137  -0.511
  120   1HH2  ARG  16          HH11      ARG  16   4.285  -7.033  -1.988
  121   2HH2  ARG  16          HH12      ARG  16   3.501  -8.423  -1.315
  122    H    TYR  17           HN       TYR  17  11.826  -8.191  -2.566
  123    HA   TYR  17           HA       TYR  17  12.292  -5.523  -1.684
  124   1HB   TYR  17           HB2      TYR  17  12.986  -7.698  -0.526
  125   2HB   TYR  17           HB1      TYR  17  14.349  -7.736  -1.643
  126    HD1  TYR  17           HD2      TYR  17  12.612  -5.144   0.453
  127    HD2  TYR  17           HD1      TYR  17  16.336  -6.888  -0.788
  128    HE1  TYR  17           HE2      TYR  17  13.843  -3.541   1.889
  129    HE2  TYR  17           HE1      TYR  17  17.566  -5.283   0.649
  130    HH   TYR  17           HH       TYR  17  15.821  -2.890   2.640
  131    H    VAL  18           HN       VAL  18  14.142  -7.568  -3.957
  132    HA   VAL  18           HA       VAL  18  16.115  -5.674  -4.662
  133    HB   VAL  18           HB       VAL  18  14.764  -7.719  -6.457
  134   1HG1  VAL  18          HG12      VAL  18  17.301  -6.096  -6.693
  135   2HG1  VAL  18          HG11      VAL  18  17.082  -7.608  -7.574
  136   3HG1  VAL  18          HG13      VAL  18  15.991  -6.253  -7.864
  137   1HG2  VAL  18          HG23      VAL  18  17.131  -7.860  -4.572
  138   2HG2  VAL  18          HG22      VAL  18  15.671  -8.849  -4.546
  139   3HG2  VAL  18          HG21      VAL  18  16.850  -9.051  -5.842
  140    H    VAL  19           HN       VAL  19  13.019  -6.339  -6.342
  141    HA   VAL  19           HA       VAL  19  13.098  -4.236  -8.196
  142    HB   VAL  19           HB       VAL  19  10.683  -5.225  -6.642
  143   1HG1  VAL  19          HG12      VAL  19  10.510  -2.999  -7.919
  144   2HG1  VAL  19          HG11      VAL  19  10.727  -3.956  -9.385
  145   3HG1  VAL  19          HG13      VAL  19   9.336  -4.246  -8.341
  146   1HG2  VAL  19          HG23      VAL  19  12.125  -6.170  -9.113
  147   2HG2  VAL  19          HG22      VAL  19  11.549  -7.116  -7.741
  148   3HG2  VAL  19          HG21      VAL  19  10.400  -6.480  -8.918
  149    H    GLU  20           HN       GLU  20  12.477  -4.173  -4.748
  150    HA   GLU  20           HA       GLU  20  11.465  -1.485  -4.591
  151   1HB   GLU  20           HB2      GLU  20  11.516  -3.385  -2.784
  152   2HB   GLU  20           HB1      GLU  20  13.116  -2.743  -2.410
  153   1HG   GLU  20           HG2      GLU  20  12.028  -1.265  -1.085
  154   2HG   GLU  20           HG1      GLU  20  11.580  -0.454  -2.586
  155    H    ALA  21           HN       ALA  21  14.744  -2.862  -4.244
  156    HA   ALA  21           HA       ALA  21  16.171  -0.526  -3.649
  157   1HB   ALA  21           HB2      ALA  21  16.782  -3.140  -4.686
  158   2HB   ALA  21           HB1      ALA  21  17.690  -1.935  -5.599
  159   3HB   ALA  21           HB3      ALA  21  17.851  -2.018  -3.844
  160    H    ILE  22           HN       ILE  22  15.015  -1.700  -6.796
  161    HA   ILE  22           HA       ILE  22  16.197   0.410  -8.354
  162    HB   ILE  22           HB       ILE  22  13.744  -1.303  -8.866
  163   1HG1  ILE  22          HG12      ILE  22  15.516  -2.265 -10.561
  164   2HG1  ILE  22          HG11      ILE  22  16.683  -1.534  -9.459
  165   1HG2  ILE  22          HG23      ILE  22  15.172   0.770 -10.513
  166   2HG2  ILE  22          HG22      ILE  22  14.401  -0.602 -11.308
  167   3HG2  ILE  22          HG21      ILE  22  13.439   0.503 -10.326
  168   1HD1  ILE  22          HD11      ILE  22  14.557  -3.059  -8.108
  169   2HD1  ILE  22          HD13      ILE  22  15.600  -4.039  -9.140
  170   3HD1  ILE  22          HD12      ILE  22  16.300  -3.076  -7.838
  171    H    ILE  23           HN       ILE  23  13.003   0.045  -6.808
  172    HA   ILE  23           HA       ILE  23  11.792   2.408  -7.751
  173    HB   ILE  23           HB       ILE  23  11.587   0.984  -5.088
  174   1HG1  ILE  23          HG12      ILE  23   9.890   1.170  -7.588
  175   2HG1  ILE  23          HG11      ILE  23  10.648  -0.269  -6.903
  176   1HG2  ILE  23          HG22      ILE  23   9.981   3.353  -6.099
  177   2HG2  ILE  23          HG21      ILE  23   9.567   2.387  -4.683
  178   3HG2  ILE  23          HG23      ILE  23  11.050   3.341  -4.696
  179   1HD1  ILE  23          HD13      ILE  23   9.213   0.039  -4.857
  180   2HD1  ILE  23          HD12      ILE  23   8.367   1.331  -5.709
  181   3HD1  ILE  23          HD11      ILE  23   8.298  -0.322  -6.320
  182    H    GLN  24           HN       GLN  24  13.997   1.962  -4.987
  183    HA   GLN  24           HA       GLN  24  13.972   4.742  -4.214
  184   1HB   GLN  24           HB2      GLN  24  16.152   2.663  -3.797
  185   2HB   GLN  24           HB1      GLN  24  15.980   4.180  -2.913
  186   1HG   GLN  24           HG2      GLN  24  14.388   3.328  -1.551
  187   2HG   GLN  24           HG1      GLN  24  13.534   2.566  -2.893
  188   1HE2  GLN  24          HE22      GLN  24  16.743   0.316  -1.732
  189   2HE2  GLN  24          HE21      GLN  24  16.961   1.926  -2.221
  190    H    ASP  25           HN       ASP  25  15.776   2.826  -6.549
  191    HA   ASP  25           HA       ASP  25  17.897   4.583  -7.144
  192   1HB   ASP  25           HB2      ASP  25  16.909   2.268  -8.270
  193   2HB   ASP  25           HB1      ASP  25  16.560   3.461  -9.522
  194    H    ASN  26           HN       ASN  26  14.487   4.853  -7.675
  195    HA   ASN  26           HA       ASN  26  14.709   7.080  -9.570
  196   1HB   ASN  26           HB2      ASN  26  12.177   6.547  -8.085
  197   2HB   ASN  26           HB1      ASN  26  12.418   6.913  -9.792
  198   1HD2  ASN  26          HD21      ASN  26  14.523   4.798 -10.110
  199   2HD2  ASN  26          HD22      ASN  26  13.691   3.320 -10.095
  200    HA   PRO  27           HA       PRO  27  14.969   9.884  -6.192
  201   1HB   PRO  27           HB2      PRO  27  14.856  12.166  -7.948
  202   2HB   PRO  27           HB1      PRO  27  16.274  11.478  -7.142
  203   1HG   PRO  27           HG2      PRO  27  15.614  11.344  -9.935
  204   2HG   PRO  27           HG1      PRO  27  17.008  10.626  -9.116
  205   1HD   PRO  27           HD2      PRO  27  14.693   9.277 -10.179
  206   2HD   PRO  27           HD1      PRO  27  16.102   8.561  -9.377
  207    H    HIS  28           HN       HIS  28  12.398   8.901  -6.661
  208    HA   HIS  28           HA       HIS  28  10.773  11.310  -6.094
  209   1HB   HIS  28           HB2      HIS  28  10.728  10.494  -8.613
  210   2HB   HIS  28           HB1      HIS  28   9.647   9.262  -7.967
  211    HD1  HIS  28           HD1      HIS  28   9.076  12.021  -9.772
  212    HD2  HIS  28           HD2      HIS  28   7.963  11.180  -5.843
  213    HE1  HIS  28           HE1      HIS  28   7.102  13.519  -9.251
  214    H    ALA  29           HN       ALA  29  10.974   7.773  -6.300
  215    HA   ALA  29           HA       ALA  29   8.684   7.315  -4.578
  216   1HB   ALA  29           HB1      ALA  29   9.774   5.700  -6.291
  217   2HB   ALA  29           HB3      ALA  29  10.944   5.363  -5.016
  218   3HB   ALA  29           HB2      ALA  29   9.234   5.022  -4.756
  219    H    VAL  30           HN       VAL  30   8.669   6.998  -2.351
  220    HA   VAL  30           HA       VAL  30  10.892   8.066  -0.835
  221    HB   VAL  30           HB       VAL  30   8.555   6.468   0.235
  222   1HG1  VAL  30          HG12      VAL  30  10.788   7.917   1.385
  223   2HG1  VAL  30          HG11      VAL  30   9.256   8.616   1.909
  224   3HG1  VAL  30          HG13      VAL  30   9.588   6.907   2.190
  225   1HG2  VAL  30          HG22      VAL  30   8.556   8.966  -1.193
  226   2HG2  VAL  30          HG21      VAL  30   7.191   8.124  -0.458
  227   3HG2  VAL  30          HG23      VAL  30   8.136   9.270   0.493
  228    H    VAL  31           HN       VAL  31   9.931   5.458   1.009
  229    HA   VAL  31           HA       VAL  31  11.443   3.328  -0.148
  230    HB   VAL  31           HB       VAL  31  13.183   5.191   0.534
  231   1HG1  VAL  31          HG12      VAL  31  12.066   5.054   2.945
  232   2HG1  VAL  31          HG11      VAL  31  13.213   3.728   3.140
  233   3HG1  VAL  31          HG13      VAL  31  13.794   5.348   2.756
  234   1HG2  VAL  31          HG23      VAL  31  13.314   2.475   0.087
  235   2HG2  VAL  31          HG22      VAL  31  14.709   3.538   0.272
  236   3HG2  VAL  31          HG21      VAL  31  14.098   2.636   1.658
  237    H    GLN  32           HN       GLN  32  12.372   2.047   2.157
  238    HA   GLN  32           HA       GLN  32   9.841   1.743   3.716
  239   1HB   GLN  32           HB2      GLN  32  11.105  -0.592   4.184
  240   2HB   GLN  32           HB1      GLN  32  10.033  -0.356   2.806
  241   1HG   GLN  32           HG2      GLN  32  11.923   0.154   1.360
  242   2HG   GLN  32           HG1      GLN  32  13.031   0.088   2.732
  243   1HE2  GLN  32          HE22      GLN  32  12.382  -3.570   3.061
  244   2HE2  GLN  32          HE21      GLN  32  12.200  -2.216   4.067
  245    H    HIS  33           HN       HIS  33  10.786   0.232   5.830
  246    HA   HIS  33           HA       HIS  33  12.349   2.268   7.285
  247   1HB   HIS  33           HB2      HIS  33  10.622  -0.045   8.037
  248   2HB   HIS  33           HB1      HIS  33  11.895   0.418   9.167
  249    HD1  HIS  33           HD1      HIS  33  11.804   3.510   8.582
  250    HD2  HIS  33           HD2      HIS  33   8.474   1.142   9.411
  251    HE1  HIS  33           HE1      HIS  33  10.010   5.075   9.446
  252    H    HIS  34           HN       HIS  34  12.715  -1.040   8.301
  253    HA   HIS  34           HA       HIS  34  15.183  -1.528   6.879
  254   1HB   HIS  34           HB2      HIS  34  16.027   0.206   8.367
  255   2HB   HIS  34           HB1      HIS  34  15.394  -0.649   9.766
  256    HD1  HIS  34           HD1      HIS  34  16.562  -2.928  10.404
  257    HD2  HIS  34           HD2      HIS  34  18.454  -0.810   7.354
  258    HE1  HIS  34           HE1      HIS  34  18.856  -3.965  10.128
  259    HA   PRO  35           HA       PRO  35  14.691  -4.875  10.341
  260   1HB   PRO  35           HB2      PRO  35  11.926  -4.677  11.188
  261   2HB   PRO  35           HB1      PRO  35  13.387  -4.724  12.184
  262   1HG   PRO  35           HG2      PRO  35  11.725  -2.448  11.603
  263   2HG   PRO  35           HG1      PRO  35  13.186  -2.501  12.599
  264   1HD   PRO  35           HD2      PRO  35  12.900  -1.273  10.052
  265   2HD   PRO  35           HD1      PRO  35  14.393  -1.487  10.976
  266    H    ALA  36           HN       ALA  36  12.970  -6.817  10.244
  267    HA   ALA  36           HA       ALA  36  12.642  -7.561   7.560
  268   1HB   ALA  36           HB1      ALA  36  11.042  -8.442   9.981
  269   2HB   ALA  36           HB3      ALA  36  11.013  -9.255   8.417
  270   3HB   ALA  36           HB2      ALA  36  12.506  -9.200   9.353
  271    H    MET  37           HN       MET  37  10.642  -5.455   9.483
  272    HA   MET  37           HA       MET  37   8.215  -5.731   7.968
  273   1HB   MET  37           HB2      MET  37   9.190  -3.216   9.354
  274   2HB   MET  37           HB1      MET  37   7.521  -3.668   9.009
  275   1HG   MET  37           HG2      MET  37   9.163  -5.564  10.630
  276   2HG   MET  37           HG1      MET  37   8.603  -4.088  11.413
  277   1HE   MET  37           HE1      MET  37   7.428  -4.600  12.918
  278   2HE   MET  37           HE3      MET  37   5.675  -4.532  12.692
  279   3HE   MET  37           HE2      MET  37   6.454  -6.056  13.110
  280    H    ILE  38           HN       ILE  38   7.384  -4.231   6.341
  281    HA   ILE  38           HA       ILE  38   9.557  -2.840   4.835
  282    HB   ILE  38           HB       ILE  38   7.353  -3.820   3.176
  283   1HG1  ILE  38          HG12      ILE  38   7.582  -5.654   4.973
  284   2HG1  ILE  38          HG11      ILE  38   7.766  -6.166   3.300
  285   1HG2  ILE  38          HG23      ILE  38  10.287  -3.539   3.144
  286   2HG2  ILE  38          HG22      ILE  38   9.677  -4.926   2.241
  287   3HG2  ILE  38          HG21      ILE  38   9.118  -3.301   1.845
  288   1HD1  ILE  38          HD11      ILE  38  10.104  -5.423   5.073
  289   2HD1  ILE  38          HD13      ILE  38   9.524  -7.076   4.870
  290   3HD1  ILE  38          HD12      ILE  38  10.167  -6.191   3.487
  291    H    ARG  39           HN       ARG  39   9.052  -0.726   4.415
  292    HA   ARG  39           HA       ARG  39   6.176   0.049   4.595
  293   1HB   ARG  39           HB2      ARG  39   7.154   0.859   6.610
  294   2HB   ARG  39           HB1      ARG  39   8.606   1.405   5.771
  295   1HG   ARG  39           HG2      ARG  39   7.346   3.140   4.618
  296   2HG   ARG  39           HG1      ARG  39   5.835   2.548   5.310
  297   1HD   ARG  39           HD2      ARG  39   6.171   3.723   7.201
  298   2HD   ARG  39           HD1      ARG  39   7.776   3.023   7.403
  299    HE   ARG  39           HE       ARG  39   8.133   4.926   5.423
  300   1HH1  ARG  39          HH21      ARG  39   6.816   4.852   8.616
  301   2HH1  ARG  39          HH22      ARG  39   7.229   6.497   8.963
  302   1HH2  ARG  39          HH11      ARG  39   8.677   7.070   5.867
  303   2HH2  ARG  39          HH12      ARG  39   8.282   7.752   7.409
  304    H    ILE  40           HN       ILE  40   5.716   2.158   3.464
  305    HA   ILE  40           HA       ILE  40   7.650   2.990   1.439
  306    HB   ILE  40           HB       ILE  40   5.126   1.486   0.739
  307   1HG1  ILE  40          HG12      ILE  40   7.061   0.633  -0.951
  308   2HG1  ILE  40          HG11      ILE  40   8.058   1.113   0.422
  309   1HG2  ILE  40          HG23      ILE  40   6.780   3.321  -1.017
  310   2HG2  ILE  40          HG22      ILE  40   5.573   2.187  -1.621
  311   3HG2  ILE  40          HG21      ILE  40   5.083   3.526  -0.584
  312   1HD1  ILE  40          HD12      ILE  40   5.833  -0.268   1.501
  313   2HD1  ILE  40          HD11      ILE  40   6.399  -1.228   0.134
  314   3HD1  ILE  40          HD13      ILE  40   7.508  -0.816   1.442
  315    H    GLU  41           HN       GLU  41   6.604   4.833   0.052
  316    HA   GLU  41           HA       GLU  41   4.242   6.089   1.294
  317   1HB   GLU  41           HB2      GLU  41   6.983   6.860   1.972
  318   2HB   GLU  41           HB1      GLU  41   6.037   8.206   1.339
  319   1HG   GLU  41           HG2      GLU  41   4.808   8.333   3.227
  320   2HG   GLU  41           HG1      GLU  41   4.471   6.601   3.190
  321    H    ALA  42           HN       ALA  42   3.409   7.828   0.032
  322    HA   ALA  42           HA       ALA  42   4.710   8.210  -2.632
  323   1HB   ALA  42           HB2      ALA  42   2.482   6.697  -2.354
  324   2HB   ALA  42           HB1      ALA  42   1.740   8.290  -2.509
  325   3HB   ALA  42           HB3      ALA  42   2.796   7.682  -3.783
  326    H    GLU  43           HN       GLU  43   3.274  10.166  -3.728
  327    HA   GLU  43           HA       GLU  43   2.809  12.238  -1.641
  328   1HB   GLU  43           HB2      GLU  43   4.622  12.545  -4.045
  329   2HB   GLU  43           HB1      GLU  43   4.139  13.861  -2.974
  330   1HG   GLU  43           HG2      GLU  43   5.109  12.557  -1.052
  331   2HG   GLU  43           HG1      GLU  43   5.737  11.398  -2.224
  332    H    LYS  44           HN       LYS  44   0.499  11.658  -2.425
  333    HA   LYS  44           HA       LYS  44  -0.514  13.680  -4.109
  334   1HB   LYS  44           HB2      LYS  44   0.861  11.965  -5.685
  335   2HB   LYS  44           HB1      LYS  44  -0.714  11.181  -5.694
  336   1HG   LYS  44           HG2      LYS  44  -0.518  12.810  -7.545
  337   2HG   LYS  44           HG1      LYS  44  -1.770  13.294  -6.400
  338   1HD   LYS  44           HD2      LYS  44   0.710  14.377  -5.490
  339   2HD   LYS  44           HD1      LYS  44   0.548  14.764  -7.203
  340   1HE   LYS  44           HE2      LYS  44  -1.983  15.276  -6.334
  341   2HE   LYS  44           HE1      LYS  44  -1.054  15.700  -4.896
  342   1HZ   LYS  44           HZ2      LYS  44  -0.065  16.652  -7.475
  343   2HZ   LYS  44           HZ1      LYS  44  -1.453  17.405  -6.847
  344   3HZ   LYS  44           HZ3      LYS  44  -0.014  17.399  -5.949
  345    H    ARG  45           HN       ARG  45  -2.440  11.693  -5.436
  346    HA   ARG  45           HA       ARG  45  -3.958  10.985  -2.966
  347   1HB   ARG  45           HB2      ARG  45  -5.123  11.995  -5.575
  348   2HB   ARG  45           HB1      ARG  45  -5.994  11.701  -4.071
  349   1HG   ARG  45           HG2      ARG  45  -5.630  13.919  -3.691
  350   2HG   ARG  45           HG1      ARG  45  -4.020  13.383  -3.208
  351   1HD   ARG  45           HD2      ARG  45  -3.069  14.394  -4.977
  352   2HD   ARG  45           HD1      ARG  45  -4.211  13.656  -6.097
  353    HE   ARG  45           HE       ARG  45  -4.250  16.369  -5.290
  354   1HH1  ARG  45          HH21      ARG  45  -6.422  13.677  -5.503
  355   2HH1  ARG  45          HH22      ARG  45  -7.838  14.665  -5.432
  356   1HH2  ARG  45          HH11      ARG  45  -6.093  17.646  -5.219
  357   2HH2  ARG  45          HH12      ARG  45  -7.656  16.902  -5.280
  358    H    LEU  46           HN       LEU  46  -5.700   9.319  -3.459
  359    HA   LEU  46           HA       LEU  46  -4.818   7.447  -5.616
  360   1HB   LEU  46           HB2      LEU  46  -5.902   6.220  -3.148
  361   2HB   LEU  46           HB1      LEU  46  -4.565   5.697  -4.168
  362    HG   LEU  46           HG       LEU  46  -4.469   7.968  -2.157
  363   1HD1  LEU  46          HD12      LEU  46  -4.289   5.215  -1.742
  364   2HD1  LEU  46          HD11      LEU  46  -2.610   5.749  -1.823
  365   3HD1  LEU  46          HD13      LEU  46  -3.710   6.472  -0.650
  366   1HD2  LEU  46          HD21      LEU  46  -2.894   7.445  -4.467
  367   2HD2  LEU  46          HD23      LEU  46  -2.616   8.657  -3.217
  368   3HD2  LEU  46          HD22      LEU  46  -1.911   7.048  -3.057
  369    H    GLU  47           HN       GLU  47  -6.525   6.087  -6.451
  370    HA   GLU  47           HA       GLU  47  -9.281   6.752  -5.546
  371   1HB   GLU  47           HB2      GLU  47  -9.875   6.821  -8.074
  372   2HB   GLU  47           HB1      GLU  47  -9.119   8.248  -7.365
  373   1HG   GLU  47           HG2      GLU  47  -7.212   7.985  -8.571
  374   2HG   GLU  47           HG1      GLU  47  -7.207   6.234  -8.353
  375    H    ILE  48           HN       ILE  48 -10.849   5.105  -6.169
  376    HA   ILE  48           HA       ILE  48  -9.792   2.660  -7.445
  377    HB   ILE  48           HB       ILE  48 -11.201   2.185  -4.870
  378   1HG1  ILE  48          HG12      ILE  48  -8.278   2.996  -5.009
  379   2HG1  ILE  48          HG11      ILE  48  -9.564   3.958  -4.280
  380   1HG2  ILE  48          HG22      ILE  48  -9.990   0.621  -6.757
  381   2HG2  ILE  48          HG21      ILE  48  -8.693   0.796  -5.574
  382   3HG2  ILE  48          HG23      ILE  48 -10.250   0.130  -5.083
  383   1HD1  ILE  48          HD11      ILE  48  -9.370   1.150  -3.345
  384   2HD1  ILE  48          HD13      ILE  48  -8.041   2.209  -2.873
  385   3HD1  ILE  48          HD12      ILE  48  -9.698   2.621  -2.431
  386    H    ARG  49           HN       ARG  49 -11.417   1.488  -8.441
  387    HA   ARG  49           HA       ARG  49 -14.140   2.684  -8.312
  388   1HB   ARG  49           HB2      ARG  49 -14.397   1.078 -10.395
  389   2HB   ARG  49           HB1      ARG  49 -13.565   2.624 -10.565
  390   1HG   ARG  49           HG2      ARG  49 -11.413   1.586 -10.426
  391   2HG   ARG  49           HG1      ARG  49 -12.113   0.056  -9.896
  392   1HD   ARG  49           HD2      ARG  49 -12.539  -0.595 -12.017
  393   2HD   ARG  49           HD1      ARG  49 -13.241   0.969 -12.433
  394    HE   ARG  49           HE       ARG  49 -10.515   1.466 -12.339
  395   1HH1  ARG  49          HH21      ARG  49 -12.603  -0.783 -13.928
  396   2HH1  ARG  49          HH22      ARG  49 -11.578  -0.953 -15.312
  397   1HH2  ARG  49          HH11      ARG  49  -9.174   1.253 -14.141
  398   2HH2  ARG  49          HH12      ARG  49  -9.639   0.198 -15.434
  399    H    ARG  50           HN       ARG  50 -15.750   0.648  -9.088
  400    HA   ARG  50           HA       ARG  50 -15.842  -1.011  -6.697
  401   1HB   ARG  50           HB2      ARG  50 -17.835  -0.110  -8.103
  402   2HB   ARG  50           HB1      ARG  50 -17.506  -1.477  -9.169
  403   1HG   ARG  50           HG2      ARG  50 -18.364  -2.970  -7.697
  404   2HG   ARG  50           HG1      ARG  50 -17.539  -2.219  -6.332
  405   1HD   ARG  50           HD2      ARG  50 -19.352  -0.993  -5.766
  406   2HD   ARG  50           HD1      ARG  50 -19.699  -0.559  -7.437
  407    HE   ARG  50           HE       ARG  50 -21.088  -2.521  -5.931
  408   1HH1  ARG  50          HH21      ARG  50 -19.536  -2.203  -9.011
  409   2HH1  ARG  50          HH22      ARG  50 -20.346  -3.571  -9.691
  410   1HH2  ARG  50          HH11      ARG  50 -22.146  -4.286  -6.822
  411   2HH2  ARG  50          HH12      ARG  50 -21.821  -4.743  -8.461
  412    H    GLU  51           HN       GLU  51 -14.857  -1.432 -10.052
  413    HA   GLU  51           HA       GLU  51 -14.745  -4.221 -10.259
  414   1HB   GLU  51           HB2      GLU  51 -12.564  -2.351 -11.215
  415   2HB   GLU  51           HB1      GLU  51 -13.005  -3.914 -11.902
  416   1HG   GLU  51           HG2      GLU  51 -15.405  -2.571 -11.958
  417   2HG   GLU  51           HG1      GLU  51 -14.253  -1.278 -12.294
  418    H    THR  52           HN       THR  52 -12.419  -2.029  -8.689
  419    HA   THR  52           HA       THR  52 -10.565  -4.132  -7.988
  420    HB   THR  52           HB       THR  52 -10.886  -1.621  -6.368
  421    HG1  THR  52           HG1      THR  52  -9.468  -1.681  -8.796
  422   1HG2  THR  52          HG21      THR  52  -8.757  -3.576  -7.048
  423   2HG2  THR  52          HG23      THR  52  -8.257  -1.892  -6.893
  424   3HG2  THR  52          HG22      THR  52  -9.047  -2.705  -5.542
  425    H    VAL  53           HN       VAL  53 -13.149  -2.450  -6.173
  426    HA   VAL  53           HA       VAL  53 -12.892  -3.778  -3.718
  427    HB   VAL  53           HB       VAL  53 -15.522  -3.178  -5.111
  428   1HG1  VAL  53          HG13      VAL  53 -14.844  -4.262  -2.552
  429   2HG1  VAL  53          HG12      VAL  53 -15.496  -2.642  -2.305
  430   3HG1  VAL  53          HG11      VAL  53 -16.443  -3.851  -3.172
  431   1HG2  VAL  53          HG21      VAL  53 -13.672  -1.402  -3.490
  432   2HG2  VAL  53          HG23      VAL  53 -14.128  -1.189  -5.180
  433   3HG2  VAL  53          HG22      VAL  53 -15.331  -0.975  -3.909
  434    H    GLU  54           HN       GLU  54 -13.976  -4.958  -6.806
  435    HA   GLU  54           HA       GLU  54 -15.174  -7.406  -5.787
  436   1HB   GLU  54           HB2      GLU  54 -15.945  -6.764  -7.934
  437   2HB   GLU  54           HB1      GLU  54 -14.315  -6.439  -8.516
  438   1HG   GLU  54           HG2      GLU  54 -14.044  -8.571  -9.185
  439   2HG   GLU  54           HG1      GLU  54 -14.573  -9.188  -7.620
  440    H    GLU  55           HN       GLU  55 -12.025  -6.493  -7.200
  441    HA   GLU  55           HA       GLU  55 -10.840  -9.068  -7.216
  442   1HB   GLU  55           HB2      GLU  55  -9.798  -6.993  -8.169
  443   2HB   GLU  55           HB1      GLU  55  -9.454  -6.458  -6.524
  444   1HG   GLU  55           HG2      GLU  55  -7.947  -8.245  -6.135
  445   2HG   GLU  55           HG1      GLU  55  -8.538  -9.155  -7.526
  446    H    ASN  56           HN       ASN  56 -10.829  -6.601  -4.628
  447    HA   ASN  56           HA       ASN  56  -9.449  -8.169  -2.697
  448   1HB   ASN  56           HB2      ASN  56 -10.763  -5.644  -2.778
  449   2HB   ASN  56           HB1      ASN  56 -11.434  -6.536  -1.412
  450   1HD2  ASN  56          HD22      ASN  56  -8.316  -6.654   0.367
  451   2HD2  ASN  56          HD21      ASN  56  -9.795  -7.462   0.166
  452    H    LEU  57           HN       LEU  57 -12.843  -8.072  -3.665
  453    HA   LEU  57           HA       LEU  57 -13.962  -9.543  -1.509
  454   1HB   LEU  57           HB2      LEU  57 -15.391  -8.512  -3.195
  455   2HB   LEU  57           HB1      LEU  57 -14.705  -9.544  -4.451
  456    HG   LEU  57           HG       LEU  57 -15.488 -11.489  -2.835
  457   1HD1  LEU  57          HD12      LEU  57 -16.236  -9.599  -1.184
  458   2HD1  LEU  57          HD11      LEU  57 -17.644  -9.479  -2.240
  459   3HD1  LEU  57          HD13      LEU  57 -17.283 -10.998  -1.419
  460   1HD2  LEU  57          HD21      LEU  57 -16.993  -9.869  -4.849
  461   2HD2  LEU  57          HD23      LEU  57 -16.446 -11.542  -4.942
  462   3HD2  LEU  57          HD22      LEU  57 -17.865 -11.131  -3.979
  463    H    GLY  58           HN       GLY  58 -12.674 -10.740  -4.630
  464   1HA   GLY  58           HA2      GLY  58 -12.911 -13.517  -3.884
  465   2HA   GLY  58           HA1      GLY  58 -11.926 -12.894  -5.213
  466    H    ARG  59           HN       ARG  59 -10.774 -11.016  -2.989
  467    HA   ARG  59           HA       ARG  59  -8.762 -13.006  -2.007
  468   1HB   ARG  59           HB2      ARG  59  -8.128 -11.024  -3.612
  469   2HB   ARG  59           HB1      ARG  59  -8.240 -10.049  -2.147
  470   1HG   ARG  59           HG2      ARG  59  -6.770 -12.484  -1.618
  471   2HG   ARG  59           HG1      ARG  59  -6.049 -11.615  -2.973
  472   1HD   ARG  59           HD2      ARG  59  -6.713 -10.402  -0.273
  473   2HD   ARG  59           HD1      ARG  59  -5.099 -10.863  -0.815
  474    HE   ARG  59           HE       ARG  59  -5.976  -9.142  -2.793
  475   1HH1  ARG  59          HH21      ARG  59  -5.737  -9.059   0.651
  476   2HH1  ARG  59          HH22      ARG  59  -5.471  -7.350   0.720
  477   1HH2  ARG  59          HH11      ARG  59  -5.634  -6.911  -2.715
  478   2HH2  ARG  59          HH12      ARG  59  -5.413  -6.134  -1.183
  479    H    ALA  60           HN       ALA  60 -11.414 -11.774  -0.876
  480    HA   ALA  60           HA       ALA  60 -10.668 -10.247   1.440
  481   1HB   ALA  60           HB2      ALA  60 -13.097 -11.531   0.386
  482   2HB   ALA  60           HB1      ALA  60 -13.017 -11.501   2.147
  483   3HB   ALA  60           HB3      ALA  60 -12.916  -9.995   1.234
  484    H    TRP  61           HN       TRP  61 -10.499 -13.608   0.686
  485    HA   TRP  61           HA       TRP  61 -10.398 -14.423   3.522
  486   1HB   TRP  61           HB2      TRP  61 -11.295 -15.755   1.373
  487   2HB   TRP  61           HB1      TRP  61  -9.614 -16.287   1.329
  488    HD1  TRP  61           HD1      TRP  61  -9.700 -15.860   4.732
  489    HE1  TRP  61           HE1      TRP  61 -10.544 -17.907   6.052
  490    HE3  TRP  61           HE3      TRP  61 -12.065 -18.406   0.991
  491    HZ2  TRP  61           HZ2      TRP  61 -12.029 -20.306   5.582
  492    HZ3  TRP  61           HZ3      TRP  61 -13.185 -20.566   1.453
  493    HH2  TRP  61           HH2      TRP  61 -13.170 -21.520   3.742
  494    H    ASP  62           HN       ASP  62  -8.396 -12.539   2.593
  495    HA   ASP  62           HA       ASP  62  -5.933 -14.219   2.581
  496   1HB   ASP  62           HB2      ASP  62  -6.119 -12.563   0.762
  497   2HB   ASP  62           HB1      ASP  62  -6.301 -11.277   1.953
  498    H    VAL  63           HN       VAL  63  -7.883 -12.899   4.809
  499    HA   VAL  63           HA       VAL  63  -6.346 -11.216   6.450
  500    HB   VAL  63           HB       VAL  63  -8.032 -13.431   7.606
  501   1HG1  VAL  63          HG11      VAL  63  -6.851 -10.971   8.528
  502   2HG1  VAL  63          HG13      VAL  63  -8.607 -10.855   8.647
  503   3HG1  VAL  63          HG12      VAL  63  -7.753 -12.172   9.452
  504   1HG2  VAL  63          HG23      VAL  63  -8.815 -11.456   5.616
  505   2HG2  VAL  63          HG22      VAL  63  -9.753 -12.788   6.290
  506   3HG2  VAL  63          HG21      VAL  63  -9.706 -11.233   7.121
  507    H    GLN  64           HN       GLN  64  -6.290 -14.771   6.235
  508    HA   GLN  64           HA       GLN  64  -4.581 -15.332   8.397
  509   1HB   GLN  64           HB2      GLN  64  -4.911 -16.617   5.686
  510   2HB   GLN  64           HB1      GLN  64  -3.722 -17.227   6.837
  511   1HG   GLN  64           HG2      GLN  64  -5.557 -18.504   7.443
  512   2HG   GLN  64           HG1      GLN  64  -5.784 -17.117   8.509
  513   1HE2  GLN  64          HE22      GLN  64  -8.787 -16.105   6.961
  514   2HE2  GLN  64          HE21      GLN  64  -7.662 -15.845   8.206
  515    H    GLU  65           HN       GLU  65  -3.760 -14.239   5.116
  516    HA   GLU  65           HA       GLU  65  -0.897 -14.326   5.589
  517   1HB   GLU  65           HB2      GLU  65  -2.695 -13.587   3.410
  518   2HB   GLU  65           HB1      GLU  65  -1.348 -12.458   3.561
  519   1HG   GLU  65           HG2      GLU  65  -0.442 -14.115   2.179
  520   2HG   GLU  65           HG1      GLU  65   0.106 -14.625   3.776
  521    H    MET  66           HN       MET  66  -3.454 -11.992   6.118
  522    HA   MET  66           HA       MET  66  -1.711  -9.704   6.488
  523   1HB   MET  66           HB2      MET  66  -4.539 -10.250   6.560
  524   2HB   MET  66           HB1      MET  66  -4.081  -9.357   8.010
  525   1HG   MET  66           HG2      MET  66  -2.651  -8.076   6.011
  526   2HG   MET  66           HG1      MET  66  -4.187  -8.451   5.228
  527   1HE   MET  66           HE1      MET  66  -2.491  -7.535   8.285
  528   2HE   MET  66           HE3      MET  66  -2.603  -5.792   8.004
  529   3HE   MET  66           HE2      MET  66  -3.576  -6.549   9.263
  530    H    LEU  67           HN       LEU  67  -2.338 -12.484   8.338
  531    HA   LEU  67           HA       LEU  67  -2.048 -11.297  10.973
  532   1HB   LEU  67           HB2      LEU  67  -2.381 -13.972   9.837
  533   2HB   LEU  67           HB1      LEU  67  -1.271 -13.949  11.209
  534    HG   LEU  67           HG       LEU  67  -3.653 -14.280  11.894
  535   1HD1  LEU  67          HD12      LEU  67  -1.961 -11.976  12.760
  536   2HD1  LEU  67          HD11      LEU  67  -3.600 -12.072  13.404
  537   3HD1  LEU  67          HD13      LEU  67  -2.470 -13.399  13.670
  538   1HD2  LEU  67          HD22      LEU  67  -4.551 -12.807  10.035
  539   2HD2  LEU  67          HD21      LEU  67  -5.245 -12.486  11.624
  540   3HD2  LEU  67          HD23      LEU  67  -4.006 -11.414  10.970
  541    H    VAL  68           HN       VAL  68   0.167 -13.341   9.022
  542    HA   VAL  68           HA       VAL  68   2.402 -12.448  10.730
  543    HB   VAL  68           HB       VAL  68   1.989 -14.858   9.823
  544   1HG1  VAL  68          HG11      VAL  68   1.753 -14.163   7.450
  545   2HG1  VAL  68          HG13      VAL  68   3.426 -13.607   7.465
  546   3HG1  VAL  68          HG12      VAL  68   3.065 -15.321   7.673
  547   1HG2  VAL  68          HG22      VAL  68   4.004 -14.030  11.065
  548   2HG2  VAL  68          HG21      VAL  68   4.381 -15.287   9.887
  549   3HG2  VAL  68          HG23      VAL  68   4.730 -13.599   9.516
  550    H    ASP  69           HN       ASP  69   1.504 -12.317   7.262
  551    HA   ASP  69           HA       ASP  69   3.664 -10.285   6.928
  552   1HB   ASP  69           HB2      ASP  69   2.592 -10.717   4.396
  553   2HB   ASP  69           HB1      ASP  69   4.060 -11.457   5.025
  554    H    VAL  70           HN       VAL  70   3.213  -8.256   6.078
  555    HA   VAL  70           HA       VAL  70   0.361  -7.410   6.317
  556    HB   VAL  70           HB       VAL  70   2.792  -5.613   6.156
  557   1HG1  VAL  70          HG12      VAL  70  -0.101  -5.271   6.567
  558   2HG1  VAL  70          HG11      VAL  70   0.896  -4.431   7.755
  559   3HG1  VAL  70          HG13      VAL  70   1.104  -4.098   6.036
  560   1HG2  VAL  70          HG21      VAL  70   2.640  -7.435   8.079
  561   2HG2  VAL  70          HG23      VAL  70   3.132  -5.781   8.440
  562   3HG2  VAL  70          HG22      VAL  70   1.474  -6.296   8.751
  563    H    ILE  71           HN       ILE  71   0.121  -5.261   4.631
  564    HA   ILE  71           HA       ILE  71   1.175  -6.223   2.014
  565    HB   ILE  71           HB       ILE  71  -1.254  -5.412   1.235
  566   1HG1  ILE  71          HG12      ILE  71  -1.931  -6.780   3.823
  567   2HG1  ILE  71          HG11      ILE  71  -1.701  -5.031   3.799
  568   1HG2  ILE  71          HG22      ILE  71   0.105  -7.818   1.482
  569   2HG2  ILE  71          HG21      ILE  71  -1.413  -8.121   2.327
  570   3HG2  ILE  71          HG23      ILE  71  -1.431  -7.587   0.647
  571   1HD1  ILE  71          HD12      ILE  71  -3.322  -5.046   1.780
  572   2HD1  ILE  71          HD11      ILE  71  -3.751  -6.672   2.315
  573   3HD1  ILE  71          HD13      ILE  71  -4.011  -5.294   3.384
  574    H    THR  72           HN       THR  72  -0.263  -3.454   3.774
  575    HA   THR  72           HA       THR  72   1.419  -1.510   2.665
  576    HB   THR  72           HB       THR  72  -0.706  -0.688   1.136
  577    HG1  THR  72           HG1      THR  72  -1.755  -2.643   1.344
  578   1HG2  THR  72          HG22      THR  72   1.960  -1.346   0.766
  579   2HG2  THR  72          HG21      THR  72   1.107  -2.388  -0.373
  580   3HG2  THR  72          HG23      THR  72   0.895  -0.639  -0.449
  581    H    ILE  73           HN       ILE  73  -0.806   0.506   2.267
  582    HA   ILE  73           HA       ILE  73  -2.721   0.561   4.275
  583    HB   ILE  73           HB       ILE  73  -0.811   0.435   5.872
  584   1HG1  ILE  73          HG12      ILE  73  -1.547   2.814   6.942
  585   2HG1  ILE  73          HG11      ILE  73  -2.834   2.592   5.757
  586   1HG2  ILE  73          HG23      ILE  73   0.224   2.487   4.200
  587   2HG2  ILE  73          HG22      ILE  73   0.024   3.125   5.810
  588   3HG2  ILE  73          HG21      ILE  73   1.008   1.687   5.547
  589   1HD1  ILE  73          HD12      ILE  73  -2.216   0.139   7.229
  590   2HD1  ILE  73          HD11      ILE  73  -2.759   1.448   8.279
  591   3HD1  ILE  73          HD13      ILE  73  -3.775   0.912   6.940
  592    H    GLY  74           HN       GLY  74  -1.586   3.603   4.689
  593   1HA   GLY  74           HA2      GLY  74  -1.575   4.855   2.226
  594   2HA   GLY  74           HA1      GLY  74  -3.279   4.624   2.605
  595    H    GLY  75           HN       GLY  75  -4.228   6.100   3.864
  596   1HA   GLY  75           HA2      GLY  75  -2.774   7.600   5.908
  597   2HA   GLY  75           HA1      GLY  75  -3.251   8.581   4.520
  598    H    ASN  76           HN       ASN  76  -5.685   8.166   3.871
  599    HA   ASN  76           HA       ASN  76  -7.301   7.988   6.389
  600   1HB   ASN  76           HB2      ASN  76  -6.932  10.309   5.097
  601   2HB   ASN  76           HB1      ASN  76  -8.250   9.674   4.113
  602   1HD2  ASN  76          HD22      ASN  76 -10.082   9.342   7.492
  603   2HD2  ASN  76          HD21      ASN  76  -9.296   8.152   6.572
  604    H    VAL  77           HN       VAL  77  -9.729   8.408   4.650
  605    HA   VAL  77           HA       VAL  77  -9.859   6.446   2.613
  606    HB   VAL  77           HB       VAL  77  -9.352   4.833   4.389
  607   1HG1  VAL  77          HG13      VAL  77 -10.794   6.556   6.002
  608   2HG1  VAL  77          HG12      VAL  77 -11.882   5.179   5.832
  609   3HG1  VAL  77          HG11      VAL  77 -10.252   4.943   6.464
  610   1HG2  VAL  77          HG21      VAL  77 -11.035   4.313   2.560
  611   2HG2  VAL  77          HG23      VAL  77 -11.190   3.331   4.016
  612   3HG2  VAL  77          HG22      VAL  77 -12.304   4.669   3.732
  613    H    ASP  78           HN       ASP  78 -11.265   7.994   1.702
  614    HA   ASP  78           HA       ASP  78 -13.843   8.434   3.140
  615   1HB   ASP  78           HB2      ASP  78 -13.492  10.023   0.725
  616   2HB   ASP  78           HB1      ASP  78 -13.805  10.556   2.373
  617    H    GLU  79           HN       GLU  79 -15.718   7.638   2.229
  618    HA   GLU  79           HA       GLU  79 -15.456   6.373  -0.471
  619   1HB   GLU  79           HB2      GLU  79 -17.292   4.824   0.335
  620   2HB   GLU  79           HB1      GLU  79 -15.746   4.629   1.162
  621   1HG   GLU  79           HG2      GLU  79 -16.527   5.971   3.038
  622   2HG   GLU  79           HG1      GLU  79 -18.038   6.322   2.198
  623    H    ASP  80           HN       ASP  80 -17.408   6.441  -1.799
  624    HA   ASP  80           HA       ASP  80 -19.123   8.790  -1.121
  625   1HB   ASP  80           HB2      ASP  80 -18.113   7.649  -3.714
  626   2HB   ASP  80           HB1      ASP  80 -19.584   8.622  -3.695
  627    H    ASP  81           HN       ASP  81 -19.945   6.553  -3.674
  628    HA   ASP  81           HA       ASP  81 -22.337   5.740  -2.091
  629   1HB   ASP  81           HB2      ASP  81 -21.798   5.947  -5.056
  630   2HB   ASP  81           HB1      ASP  81 -23.195   5.085  -4.418
  631    H    ASP  82           HN       ASP  82 -20.548   4.266  -4.810
  632    HA   ASP  82           HA       ASP  82 -20.369   1.764  -3.178
  633   1HB   ASP  82           HB2      ASP  82 -21.429   2.228  -5.908
  634   2HB   ASP  82           HB1      ASP  82 -20.378   0.822  -5.730
  635    H    ARG  83           HN       ARG  83 -18.694   4.188  -4.774
  636    HA   ARG  83           HA       ARG  83 -16.439   2.477  -5.618
  637   1HB   ARG  83           HB2      ARG  83 -17.405   5.141  -6.227
  638   2HB   ARG  83           HB1      ARG  83 -15.702   5.191  -5.775
  639   1HG   ARG  83           HG2      ARG  83 -15.278   4.551  -7.905
  640   2HG   ARG  83           HG1      ARG  83 -15.848   2.957  -7.409
  641   1HD   ARG  83           HD2      ARG  83 -18.214   4.260  -7.889
  642   2HD   ARG  83           HD1      ARG  83 -17.161   4.975  -9.110
  643    HE   ARG  83           HE       ARG  83 -16.671   2.259  -9.331
  644   1HH1  ARG  83          HH21      ARG  83 -19.456   4.302  -9.336
  645   2HH1  ARG  83          HH22      ARG  83 -20.366   3.275 -10.392
  646   1HH2  ARG  83          HH11      ARG  83 -17.848   0.915 -10.712
  647   2HH2  ARG  83          HH12      ARG  83 -19.458   1.362 -11.171
  648    H    PHE  84           HN       PHE  84 -14.243   3.965  -4.952
  649    HA   PHE  84           HA       PHE  84 -14.325   4.651  -2.094
  650   1HB   PHE  84           HB2      PHE  84 -13.927   2.017  -2.630
  651   2HB   PHE  84           HB1      PHE  84 -12.266   2.607  -2.709
  652    HD1  PHE  84           HD1      PHE  84 -12.849   4.982  -0.730
  653    HD2  PHE  84           HD2      PHE  84 -13.537   0.745  -0.573
  654    HE1  PHE  84           HE1      PHE  84 -12.780   5.061   1.748
  655    HE2  PHE  84           HE2      PHE  84 -13.467   0.824   1.903
  656    HZ   PHE  84           HZ       PHE  84 -13.093   2.979   3.063
  657    H    VAL  85           HN       VAL  85 -13.014   6.407  -1.931
  658    HA   VAL  85           HA       VAL  85 -10.551   6.459  -3.616
  659    HB   VAL  85           HB       VAL  85 -12.218   7.907  -4.682
  660   1HG1  VAL  85          HG13      VAL  85 -12.325   9.264  -1.969
  661   2HG1  VAL  85          HG12      VAL  85 -13.108   9.862  -3.432
  662   3HG1  VAL  85          HG11      VAL  85 -13.625   8.335  -2.716
  663   1HG2  VAL  85          HG21      VAL  85  -9.847   8.630  -4.670
  664   2HG2  VAL  85          HG23      VAL  85 -10.937  10.015  -4.635
  665   3HG2  VAL  85          HG22      VAL  85 -10.124   9.496  -3.159
  666    H    LEU  86           HN       LEU  86  -8.747   7.224  -2.579
  667    HA   LEU  86           HA       LEU  86  -9.004   8.686  -0.026
  668   1HB   LEU  86           HB2      LEU  86  -9.015   6.453   0.838
  669   2HB   LEU  86           HB1      LEU  86  -7.771   5.938  -0.296
  670    HG   LEU  86           HG       LEU  86  -7.081   6.406   2.165
  671   1HD1  LEU  86          HD12      LEU  86  -5.694   6.301  -0.122
  672   2HD1  LEU  86          HD11      LEU  86  -5.373   7.981   0.302
  673   3HD1  LEU  86          HD13      LEU  86  -4.930   6.691   1.418
  674   1HD2  LEU  86          HD23      LEU  86  -8.191   8.915   1.545
  675   2HD2  LEU  86          HD22      LEU  86  -7.233   8.516   2.959
  676   3HD2  LEU  86          HD21      LEU  86  -6.452   9.170   1.535
  677    H    GLU  87           HN       GLU  87  -7.298  10.105   0.176
  678    HA   GLU  87           HA       GLU  87  -5.063   9.837  -1.783
  679   1HB   GLU  87           HB2      GLU  87  -5.889  12.476  -0.641
  680   2HB   GLU  87           HB1      GLU  87  -5.156  12.110  -2.188
  681   1HG   GLU  87           HG2      GLU  87  -7.322  12.546  -2.887
  682   2HG   GLU  87           HG1      GLU  87  -7.439  10.811  -2.592
  683    H    TRP  88           HN       TRP  88  -3.815  12.235  -0.532
  684    HA   TRP  88           HA       TRP  88  -2.026  11.055   1.242
  685   1HB   TRP  88           HB2      TRP  88  -1.460  13.224   0.532
  686   2HB   TRP  88           HB1      TRP  88  -3.041  13.877   0.948
  687    HD1  TRP  88           HD1      TRP  88  -1.379  11.690   3.535
  688    HE1  TRP  88           HE1      TRP  88  -0.583  13.142   5.513
  689    HE3  TRP  88           HE3      TRP  88  -2.131  16.351   1.577
  690    HZ2  TRP  88           HZ2      TRP  88  -0.305  15.908   6.176
  691    HZ3  TRP  88           HZ3      TRP  88  -1.593  18.372   2.904
  692    HH2  TRP  88           HH2      TRP  88  -0.682  18.157   5.199
  693    H    LYS  89           HN       LYS  89  -4.068  13.473   2.780
  694    HA   LYS  89           HA       LYS  89  -5.214  11.404   4.580
  695   1HB   LYS  89           HB2      LYS  89  -4.513  12.602   6.579
  696   2HB   LYS  89           HB1      LYS  89  -3.089  12.234   5.606
  697   1HG   LYS  89           HG2      LYS  89  -2.698  14.473   6.048
  698   2HG   LYS  89           HG1      LYS  89  -3.620  14.617   4.552
  699   1HD   LYS  89           HD2      LYS  89  -5.129  15.865   5.662
  700   2HD   LYS  89           HD1      LYS  89  -5.527  14.445   6.630
  701   1HE   LYS  89           HE2      LYS  89  -3.085  16.020   7.352
  702   2HE   LYS  89           HE1      LYS  89  -4.665  16.671   7.789
  703   1HZ   LYS  89           HZ1      LYS  89  -4.846  14.062   8.495
  704   2HZ   LYS  89           HZ3      LYS  89  -3.240  14.435   8.890
  705   3HZ   LYS  89           HZ2      LYS  89  -4.510  15.347   9.555
  706    H    ASN  90           HN       ASN  90  -5.165  14.796   3.528
  707    HA   ASN  90           HA       ASN  90  -7.775  15.320   4.777
  708   1HB   ASN  90           HB2      ASN  90  -5.724  16.968   4.222
  709   2HB   ASN  90           HB1      ASN  90  -6.645  17.172   2.731
  710   1HD2  ASN  90          HD22      ASN  90  -8.458  19.637   4.536
  711   2HD2  ASN  90          HD21      ASN  90  -7.326  19.356   3.303
   
  No H/Q in entry =         711
  Start of MODEL    7
    1   1H    MET   1           HT3      MET   1  -6.666  16.119   5.586
    2   2H    MET   1           HT2      MET   1  -7.250  16.519   7.131
    3   3H    MET   1           HT1      MET   1  -5.702  17.026   6.647
    4    HA   MET   1           HA       MET   1  -4.757  15.128   7.262
    5   1HB   MET   1           HB2      MET   1  -7.381  15.258   8.582
    6   2HB   MET   1           HB1      MET   1  -6.701  13.631   8.525
    7   1HG   MET   1           HG2      MET   1  -4.612  14.445   9.522
    8   2HG   MET   1           HG1      MET   1  -5.244  16.091   9.537
    9   1HE   MET   1           HE1      MET   1  -6.160  12.644  10.027
   10   2HE   MET   1           HE3      MET   1  -6.227  12.401  11.778
   11   3HE   MET   1           HE2      MET   1  -7.691  12.802  10.883
   12    H    SER   2           HN       SER   2  -5.312  12.514   7.396
   13    HA   SER   2           HA       SER   2  -5.379  10.654   5.943
   14   1HB   SER   2           HB2      SER   2  -7.887  11.419   4.668
   15   2HB   SER   2           HB1      SER   2  -7.553  10.072   5.752
   16    HG   SER   2           HG       SER   2  -8.030  11.312   7.458
   17    H    SER   3           HN       SER   3  -3.784  12.590   4.829
   18    HA   SER   3           HA       SER   3  -4.625  12.585   1.955
   19   1HB   SER   3           HB2      SER   3  -2.569  14.540   2.720
   20   2HB   SER   3           HB1      SER   3  -4.019  14.759   1.744
   21    HG   SER   3           HG       SER   3  -3.595  15.201   4.413
   22    H    LEU   4           HN       LEU   4  -2.510  11.205   4.139
   23    HA   LEU   4           HA       LEU   4  -0.560  10.728   1.953
   24   1HB   LEU   4           HB2      LEU   4   1.102  10.400   3.927
   25   2HB   LEU   4           HB1      LEU   4   0.729  12.032   3.388
   26    HG   LEU   4           HG       LEU   4  -1.167  11.951   5.165
   27   1HD1  LEU   4          HD11      LEU   4   0.311   9.439   5.643
   28   2HD1  LEU   4          HD13      LEU   4   0.013  10.405   7.089
   29   3HD1  LEU   4          HD12      LEU   4  -1.339   9.876   6.086
   30   1HD2  LEU   4          HD22      LEU   4   1.416  12.905   5.183
   31   2HD2  LEU   4          HD21      LEU   4   0.218  13.222   6.439
   32   3HD2  LEU   4          HD23      LEU   4   1.381  11.912   6.641
   33    H    VAL   5           HN       VAL   5   0.543   8.662   2.052
   34    HA   VAL   5           HA       VAL   5  -1.111   6.613   3.453
   35    HB   VAL   5           HB       VAL   5  -1.169   5.346   1.545
   36   1HG1  VAL   5          HG13      VAL   5  -0.547   8.077   0.409
   37   2HG1  VAL   5          HG12      VAL   5  -1.319   6.762  -0.477
   38   3HG1  VAL   5          HG11      VAL   5  -2.137   7.495   0.903
   39   1HG2  VAL   5          HG23      VAL   5   1.567   6.474   0.980
   40   2HG2  VAL   5          HG22      VAL   5   1.102   4.790   1.222
   41   3HG2  VAL   5          HG21      VAL   5   0.669   5.618  -0.274
   42    H    TYR   6           HN       TYR   6   0.148   4.489   3.682
   43    HA   TYR   6           HA       TYR   6   3.054   4.929   4.110
   44   1HB   TYR   6           HB2      TYR   6   2.353   5.316   6.315
   45   2HB   TYR   6           HB1      TYR   6   1.015   4.180   6.191
   46    HD1  TYR   6           HD1      TYR   6   4.727   4.429   6.400
   47    HD2  TYR   6           HD2      TYR   6   1.286   1.881   6.763
   48    HE1  TYR   6           HE1      TYR   6   6.148   2.647   7.376
   49    HE2  TYR   6           HE2      TYR   6   2.708   0.100   7.739
   50    HH   TYR   6           HH       TYR   6   6.024   0.085   7.547
   51    H    ILE   7           HN       ILE   7   4.249   3.057   3.714
   52    HA   ILE   7           HA       ILE   7   2.961   0.428   3.569
   53    HB   ILE   7           HB       ILE   7   3.231   0.043   1.229
   54   1HG1  ILE   7          HG12      ILE   7   4.163   2.093  -0.159
   55   2HG1  ILE   7          HG11      ILE   7   4.938   2.509   1.370
   56   1HG2  ILE   7          HG21      ILE   7   1.253   1.416   1.793
   57   2HG2  ILE   7          HG23      ILE   7   2.205   2.879   1.537
   58   3HG2  ILE   7          HG22      ILE   7   1.868   1.797   0.187
   59   1HD1  ILE   7          HD11      ILE   7   5.138  -0.327   0.480
   60   2HD1  ILE   7          HD13      ILE   7   6.090   0.861  -0.410
   61   3HD1  ILE   7          HD12      ILE   7   6.320   0.671   1.328
   62    H    ALA   8           HN       ALA   8   4.616  -1.262   3.388
   63    HA   ALA   8           HA       ALA   8   7.419  -0.263   3.320
   64   1HB   ALA   8           HB3      ALA   8   6.080  -1.604   5.642
   65   2HB   ALA   8           HB2      ALA   8   7.811  -1.802   5.369
   66   3HB   ALA   8           HB1      ALA   8   7.136  -0.194   5.636
   67    H    PHE   9           HN       PHE   9   8.818  -2.445   3.904
   68    HA   PHE   9           HA       PHE   9   7.577  -4.683   2.474
   69   1HB   PHE   9           HB2      PHE   9   9.479  -2.981   1.234
   70   2HB   PHE   9           HB1      PHE   9  10.265  -4.542   1.534
   71    HD1  PHE   9           HD1      PHE   9   6.997  -3.147   0.451
   72    HD2  PHE   9           HD2      PHE   9   9.835  -6.346   0.099
   73    HE1  PHE   9           HE1      PHE   9   5.541  -4.237  -1.194
   74    HE2  PHE   9           HE2      PHE   9   8.385  -7.429  -1.575
   75    HZ   PHE   9           HZ       PHE   9   6.239  -6.378  -2.248
   76    H    GLN  10           HN       GLN  10   9.051  -6.565   2.422
   77    HA   GLN  10           HA       GLN  10  11.140  -7.034   4.267
   78   1HB   GLN  10           HB2      GLN  10   9.745  -8.333   6.011
   79   2HB   GLN  10           HB1      GLN  10   9.783  -6.574   6.132
   80   1HG   GLN  10           HG2      GLN  10   7.691  -7.170   4.348
   81   2HG   GLN  10           HG1      GLN  10   7.521  -8.311   5.682
   82   1HE2  GLN  10          HE22      GLN  10   6.447  -4.495   6.260
   83   2HE2  GLN  10          HE21      GLN  10   6.759  -5.153   4.726
   84    H    ASP  11           HN       ASP  11  11.992  -8.571   2.976
   85    HA   ASP  11           HA       ASP  11  10.263 -10.866   2.152
   86   1HB   ASP  11           HB2      ASP  11  11.859  -9.263   0.591
   87   2HB   ASP  11           HB1      ASP  11  12.932 -10.622   0.926
   88    H    ASN  12           HN       ASN  12  12.501 -12.529   1.497
   89    HA   ASN  12           HA       ASN  12  13.694 -13.069   4.184
   90   1HB   ASN  12           HB2      ASN  12  11.745 -14.623   3.402
   91   2HB   ASN  12           HB1      ASN  12  12.934 -15.276   2.274
   92   1HD2  ASN  12          HD22      ASN  12  12.985 -16.922   5.784
   93   2HD2  ASN  12          HD21      ASN  12  11.646 -16.382   4.891
   94    H    ASP  13           HN       ASP  13  13.908 -14.272   0.820
   95    HA   ASP  13           HA       ASP  13  16.867 -13.844   0.978
   96   1HB   ASP  13           HB2      ASP  13  16.272 -16.242   0.866
   97   2HB   ASP  13           HB1      ASP  13  15.337 -15.939  -0.599
   98    H    ASN  14           HN       ASN  14  13.940 -13.070  -0.598
   99    HA   ASN  14           HA       ASN  14  15.177 -12.301  -3.145
  100   1HB   ASN  14           HB2      ASN  14  12.494 -12.612  -2.104
  101   2HB   ASN  14           HB1      ASN  14  12.666 -11.038  -2.880
  102   1HD2  ASN  14          HD22      ASN  14  13.175 -12.403  -6.143
  103   2HD2  ASN  14          HD21      ASN  14  13.414 -11.030  -5.175
  104    H    ALA  15           HN       ALA  15  15.557 -11.076  -0.186
  105    HA   ALA  15           HA       ALA  15  14.876  -8.408  -0.068
  106   1HB   ALA  15           HB3      ALA  15  16.318  -9.659   1.587
  107   2HB   ALA  15           HB2      ALA  15  17.680  -9.419   0.492
  108   3HB   ALA  15           HB1      ALA  15  16.884  -8.028   1.229
  109    H    ARG  16           HN       ARG  16  17.254  -9.900  -2.197
  110    HA   ARG  16           HA       ARG  16  18.612  -7.626  -3.150
  111   1HB   ARG  16           HB2      ARG  16  19.332  -9.744  -3.966
  112   2HB   ARG  16           HB1      ARG  16  17.718 -10.159  -4.539
  113   1HG   ARG  16           HG2      ARG  16  17.860  -8.709  -6.382
  114   2HG   ARG  16           HG1      ARG  16  19.158  -7.761  -5.656
  115   1HD   ARG  16           HD2      ARG  16  19.622 -10.667  -6.247
  116   2HD   ARG  16           HD1      ARG  16  19.716  -9.494  -7.560
  117    HE   ARG  16           HE       ARG  16  21.295  -8.395  -5.561
  118   1HH1  ARG  16          HH21      ARG  16  21.105 -11.403  -7.250
  119   2HH1  ARG  16          HH22      ARG  16  22.799 -11.734  -7.112
  120   1HH2  ARG  16          HH11      ARG  16  23.503  -8.819  -5.372
  121   2HH2  ARG  16          HH12      ARG  16  24.155 -10.273  -6.050
  122    H    TYR  17           HN       TYR  17  15.629  -9.039  -4.553
  123    HA   TYR  17           HA       TYR  17  15.158  -6.865  -6.341
  124   1HB   TYR  17           HB2      TYR  17  13.518  -9.096  -5.222
  125   2HB   TYR  17           HB1      TYR  17  12.665  -7.753  -5.986
  126    HD1  TYR  17           HD1      TYR  17  15.762  -9.788  -6.609
  127    HD2  TYR  17           HD2      TYR  17  12.226  -7.990  -8.255
  128    HE1  TYR  17           HE1      TYR  17  16.345 -10.690  -8.843
  129    HE2  TYR  17           HE2      TYR  17  12.808  -8.893 -10.491
  130    HH   TYR  17           HH       TYR  17  14.481  -9.823 -11.716
  131    H    VAL  18           HN       VAL  18  14.359  -7.346  -2.939
  132    HA   VAL  18           HA       VAL  18  12.447  -5.271  -2.635
  133    HB   VAL  18           HB       VAL  18  14.571  -6.301  -0.736
  134   1HG1  VAL  18          HG12      VAL  18  12.724  -4.017  -0.527
  135   2HG1  VAL  18          HG11      VAL  18  12.606  -5.157   0.814
  136   3HG1  VAL  18          HG13      VAL  18  14.153  -4.399   0.434
  137   1HG2  VAL  18          HG22      VAL  18  12.158  -7.387  -1.670
  138   2HG2  VAL  18          HG21      VAL  18  13.077  -7.927  -0.264
  139   3HG2  VAL  18          HG23      VAL  18  11.777  -6.751  -0.070
  140    H    VAL  19           HN       VAL  19  16.002  -5.169  -2.616
  141    HA   VAL  19           HA       VAL  19  16.165  -2.338  -2.055
  142    HB   VAL  19           HB       VAL  19  18.139  -4.219  -3.391
  143   1HG1  VAL  19          HG13      VAL  19  18.266  -1.334  -2.586
  144   2HG1  VAL  19          HG12      VAL  19  19.713  -2.327  -2.409
  145   3HG1  VAL  19          HG11      VAL  19  18.965  -2.133  -3.994
  146   1HG2  VAL  19          HG21      VAL  19  17.393  -4.675  -0.985
  147   2HG2  VAL  19          HG23      VAL  19  19.126  -4.458  -1.226
  148   3HG2  VAL  19          HG22      VAL  19  18.157  -3.143  -0.561
  149    H    GLU  20           HN       GLU  20  15.807  -4.293  -4.942
  150    HA   GLU  20           HA       GLU  20  16.457  -2.304  -6.883
  151   1HB   GLU  20           HB2      GLU  20  16.176  -4.729  -7.386
  152   2HB   GLU  20           HB1      GLU  20  14.440  -4.555  -7.121
  153   1HG   GLU  20           HG2      GLU  20  14.678  -4.328  -9.463
  154   2HG   GLU  20           HG1      GLU  20  14.561  -2.665  -8.886
  155    H    ALA  21           HN       ALA  21  13.292  -3.240  -5.500
  156    HA   ALA  21           HA       ALA  21  11.789  -1.237  -6.878
  157   1HB   ALA  21           HB1      ALA  21  11.365  -2.996  -4.513
  158   2HB   ALA  21           HB3      ALA  21  10.344  -1.563  -4.622
  159   3HB   ALA  21           HB2      ALA  21  10.341  -2.749  -5.927
  160    H    ILE  22           HN       ILE  22  13.473  -1.241  -3.750
  161    HA   ILE  22           HA       ILE  22  12.610   1.213  -2.712
  162    HB   ILE  22           HB       ILE  22  15.231  -0.264  -2.577
  163   1HG1  ILE  22          HG12      ILE  22  13.240  -1.006  -1.279
  164   2HG1  ILE  22          HG11      ILE  22  14.567  -0.499  -0.232
  165   1HG2  ILE  22          HG22      ILE  22  14.633   2.436  -1.323
  166   2HG2  ILE  22          HG21      ILE  22  16.008   1.414  -0.906
  167   3HG2  ILE  22          HG23      ILE  22  15.879   2.100  -2.526
  168   1HD1  ILE  22          HD13      ILE  22  13.071   1.835  -0.794
  169   2HD1  ILE  22          HD12      ILE  22  11.896   0.578  -0.405
  170   3HD1  ILE  22          HD11      ILE  22  13.174   0.976   0.744
  171    H    ILE  23           HN       ILE  23  15.145   0.617  -5.153
  172    HA   ILE  23           HA       ILE  23  15.834   3.411  -5.436
  173    HB   ILE  23           HB       ILE  23  16.156   1.137  -7.420
  174   1HG1  ILE  23          HG12      ILE  23  17.200   0.742  -5.180
  175   2HG1  ILE  23          HG11      ILE  23  18.390   0.891  -6.474
  176   1HG2  ILE  23          HG23      ILE  23  16.778   3.978  -7.502
  177   2HG2  ILE  23          HG22      ILE  23  18.235   2.999  -7.668
  178   3HG2  ILE  23          HG21      ILE  23  16.891   2.775  -8.787
  179   1HD1  ILE  23          HD13      ILE  23  18.117   3.503  -5.692
  180   2HD1  ILE  23          HD12      ILE  23  17.894   2.657  -4.161
  181   3HD1  ILE  23          HD11      ILE  23  19.369   2.415  -5.096
  182    H    GLN  24           HN       GLN  24  13.454   1.284  -6.927
  183    HA   GLN  24           HA       GLN  24  12.621   3.411  -8.807
  184   1HB   GLN  24           HB2      GLN  24  12.097   0.503  -8.483
  185   2HB   GLN  24           HB1      GLN  24  10.768   1.461  -9.136
  186   1HG   GLN  24           HG2      GLN  24  11.983   0.847 -11.058
  187   2HG   GLN  24           HG1      GLN  24  12.566   2.477 -10.715
  188   1HE2  GLN  24          HE22      GLN  24  15.058  -0.721 -10.039
  189   2HE2  GLN  24          HE21      GLN  24  13.384  -0.978 -10.145
  190    H    ASP  25           HN       ASP  25  12.161   2.944  -5.620
  191    HA   ASP  25           HA       ASP  25   9.309   3.851  -5.729
  192   1HB   ASP  25           HB2      ASP  25  10.559   1.772  -4.206
  193   2HB   ASP  25           HB1      ASP  25  10.026   3.031  -3.093
  194    H    ASN  26           HN       ASN  26  12.500   4.731  -5.007
  195    HA   ASN  26           HA       ASN  26  11.778   6.720  -2.962
  196   1HB   ASN  26           HB2      ASN  26  14.295   5.738  -4.215
  197   2HB   ASN  26           HB1      ASN  26  14.309   7.333  -3.466
  198   1HD2  ASN  26          HD22      ASN  26  13.135   4.355  -0.900
  199   2HD2  ASN  26          HD21      ASN  26  12.386   4.503  -2.415
  200    HA   PRO  27           HA       PRO  27  13.459   9.755  -6.399
  201   1HB   PRO  27           HB2      PRO  27  12.804   8.471  -8.888
  202   2HB   PRO  27           HB1      PRO  27  14.383   9.053  -8.344
  203   1HG   PRO  27           HG2      PRO  27  13.503   6.327  -8.579
  204   2HG   PRO  27           HG1      PRO  27  15.074   6.915  -8.020
  205   1HD   PRO  27           HD2      PRO  27  12.974   5.742  -6.450
  206   2HD   PRO  27           HD1      PRO  27  14.546   6.341  -5.896
  207    H    HIS  28           HN       HIS  28  10.828   7.446  -6.658
  208    HA   HIS  28           HA       HIS  28   9.013   9.557  -7.691
  209   1HB   HIS  28           HB2      HIS  28   9.195   6.869  -8.258
  210   2HB   HIS  28           HB1      HIS  28   7.884   6.907  -7.080
  211    HD1  HIS  28           HD1      HIS  28   6.841   9.793  -7.938
  212    HD2  HIS  28           HD2      HIS  28   7.515   6.587 -10.514
  213    HE1  HIS  28           HE1      HIS  28   5.417  10.212  -9.990
  214    H    ALA  29           HN       ALA  29   9.501   7.423  -4.881
  215    HA   ALA  29           HA       ALA  29   7.296   8.879  -3.488
  216   1HB   ALA  29           HB3      ALA  29   7.688   6.223  -3.588
  217   2HB   ALA  29           HB2      ALA  29   8.688   6.593  -2.183
  218   3HB   ALA  29           HB1      ALA  29   6.976   7.016  -2.183
  219    H    VAL  30           HN       VAL  30   8.276   8.332  -0.849
  220    HA   VAL  30           HA       VAL  30  10.388  10.414  -0.713
  221    HB   VAL  30           HB       VAL  30   8.929   9.199   1.633
  222   1HG1  VAL  30          HG11      VAL  30  10.761  11.424   1.136
  223   2HG1  VAL  30          HG13      VAL  30   9.303  11.926   1.993
  224   3HG1  VAL  30          HG12      VAL  30  10.324  10.652   2.660
  225   1HG2  VAL  30          HG21      VAL  30   7.246   9.920  -0.036
  226   2HG2  VAL  30          HG23      VAL  30   7.238  10.975   1.377
  227   3HG2  VAL  30          HG22      VAL  30   8.015  11.506  -0.115
  228    H    VAL  31           HN       VAL  31  10.693   8.855   2.144
  229    HA   VAL  31           HA       VAL  31  12.211   6.522   1.289
  230    HB   VAL  31           HB       VAL  31  14.064   8.218   2.770
  231   1HG1  VAL  31          HG13      VAL  31  14.037   6.197   0.727
  232   2HG1  VAL  31          HG12      VAL  31  15.012   7.560   0.177
  233   3HG1  VAL  31          HG11      VAL  31  15.395   6.761   1.702
  234   1HG2  VAL  31          HG22      VAL  31  12.869  10.001   1.467
  235   2HG2  VAL  31          HG21      VAL  31  14.563   9.826   1.012
  236   3HG2  VAL  31          HG23      VAL  31  13.299   9.149  -0.016
  237    H    GLN  32           HN       GLN  32  12.560   5.126   3.011
  238    HA   GLN  32           HA       GLN  32  12.622   5.929   5.763
  239   1HB   GLN  32           HB2      GLN  32  10.003   5.714   4.588
  240   2HB   GLN  32           HB1      GLN  32  10.213   4.434   5.782
  241   1HG   GLN  32           HG2      GLN  32  11.250   6.402   7.224
  242   2HG   GLN  32           HG1      GLN  32  10.257   7.402   6.163
  243   1HE2  GLN  32          HE22      GLN  32   7.341   5.215   7.322
  244   2HE2  GLN  32          HE21      GLN  32   8.192   5.238   5.854
  245    H    HIS  33           HN       HIS  33  14.307   4.408   5.885
  246    HA   HIS  33           HA       HIS  33  13.508   1.557   5.442
  247   1HB   HIS  33           HB2      HIS  33  15.765   3.026   4.511
  248   2HB   HIS  33           HB1      HIS  33  16.350   1.859   5.697
  249    HD1  HIS  33           HD1      HIS  33  16.509  -0.536   4.951
  250    HD2  HIS  33           HD2      HIS  33  14.162   1.750   2.373
  251    HE1  HIS  33           HE1      HIS  33  15.956  -2.024   2.976
  252    H    HIS  34           HN       HIS  34  14.359   0.007   7.027
  253    HA   HIS  34           HA       HIS  34  14.895   1.293   9.677
  254   1HB   HIS  34           HB2      HIS  34  12.927  -0.666   8.856
  255   2HB   HIS  34           HB1      HIS  34  13.973  -1.334  10.108
  256    HD1  HIS  34           HD1      HIS  34  12.449   2.135   9.578
  257    HD2  HIS  34           HD2      HIS  34  12.810  -0.776  12.539
  258    HE1  HIS  34           HE1      HIS  34  11.333   3.077  11.646
  259    HA   PRO  35           HA       PRO  35  18.292  -1.453   9.961
  260   1HB   PRO  35           HB2      PRO  35  17.820  -2.718  12.494
  261   2HB   PRO  35           HB1      PRO  35  18.799  -1.282  12.163
  262   1HG   PRO  35           HG2      PRO  35  16.226  -1.406  13.461
  263   2HG   PRO  35           HG1      PRO  35  17.223   0.022  13.153
  264   1HD   PRO  35           HD2      PRO  35  14.781  -0.728  11.840
  265   2HD   PRO  35           HD1      PRO  35  15.803   0.683  11.510
  266    H    ALA  36           HN       ALA  36  15.525  -2.824   9.231
  267    HA   ALA  36           HA       ALA  36  16.709  -5.472   8.814
  268   1HB   ALA  36           HB1      ALA  36  14.572  -4.972  10.850
  269   2HB   ALA  36           HB3      ALA  36  14.476  -6.446   9.887
  270   3HB   ALA  36           HB2      ALA  36  15.898  -6.135  10.882
  271    H    MET  37           HN       MET  37  13.299  -4.458   9.051
  272    HA   MET  37           HA       MET  37  12.857  -5.348   6.281
  273   1HB   MET  37           HB2      MET  37  10.484  -4.695   6.764
  274   2HB   MET  37           HB1      MET  37  11.132  -5.841   7.939
  275   1HG   MET  37           HG2      MET  37  11.708  -3.107   8.730
  276   2HG   MET  37           HG1      MET  37   9.976  -3.347   8.503
  277   1HE   MET  37           HE3      MET  37  10.087  -2.488  10.677
  278   2HE   MET  37           HE2      MET  37   9.633  -3.574  11.988
  279   3HE   MET  37           HE1      MET  37  11.295  -3.002  11.864
  280    H    ILE  38           HN       ILE  38  11.615  -3.773   4.779
  281    HA   ILE  38           HA       ILE  38  12.987  -1.127   5.000
  282    HB   ILE  38           HB       ILE  38  13.435  -1.892   2.868
  283   1HG1  ILE  38          HG12      ILE  38  12.041   0.266   2.763
  284   2HG1  ILE  38          HG11      ILE  38  12.190  -0.659   1.277
  285   1HG2  ILE  38          HG21      ILE  38  10.804  -3.301   3.114
  286   2HG2  ILE  38          HG23      ILE  38  11.529  -3.072   1.522
  287   3HG2  ILE  38          HG22      ILE  38  12.402  -3.963   2.768
  288   1HD1  ILE  38          HD12      ILE  38   9.936  -1.698   2.652
  289   2HD1  ILE  38          HD11      ILE  38   9.798   0.056   2.697
  290   3HD1  ILE  38          HD13      ILE  38   9.952  -0.776   1.151
  291    H    ARG  39           HN       ARG  39  11.635   0.838   4.396
  292    HA   ARG  39           HA       ARG  39   8.748   0.479   5.028
  293   1HB   ARG  39           HB2      ARG  39  10.764   1.804   6.691
  294   2HB   ARG  39           HB1      ARG  39   9.399   2.852   6.305
  295   1HG   ARG  39           HG2      ARG  39   7.823   1.267   7.191
  296   2HG   ARG  39           HG1      ARG  39   9.073   0.034   7.358
  297   1HD   ARG  39           HD2      ARG  39   8.891   0.878   9.542
  298   2HD   ARG  39           HD1      ARG  39  10.259   1.780   8.889
  299    HE   ARG  39           HE       ARG  39   8.067   3.371   8.294
  300   1HH1  ARG  39          HH21      ARG  39   9.382   1.868  11.113
  301   2HH1  ARG  39          HH22      ARG  39   8.801   3.091  12.192
  302   1HH2  ARG  39          HH11      ARG  39   7.307   4.971   9.694
  303   2HH2  ARG  39          HH12      ARG  39   7.629   4.845  11.391
  304    H    ILE  40           HN       ILE  40   7.469   2.463   4.426
  305    HA   ILE  40           HA       ILE  40   8.802   4.432   2.719
  306    HB   ILE  40           HB       ILE  40   6.827   2.473   1.515
  307   1HG1  ILE  40          HG12      ILE  40   9.800   2.909   1.085
  308   2HG1  ILE  40          HG11      ILE  40   9.031   1.466   1.746
  309   1HG2  ILE  40          HG21      ILE  40   8.193   4.957   0.456
  310   2HG2  ILE  40          HG23      ILE  40   7.486   3.737  -0.604
  311   3HG2  ILE  40          HG22      ILE  40   6.463   4.622   0.528
  312   1HD1  ILE  40          HD13      ILE  40   7.947   2.271  -0.862
  313   2HD1  ILE  40          HD12      ILE  40   9.656   1.842  -0.914
  314   3HD1  ILE  40          HD11      ILE  40   8.474   0.684  -0.305
  315    H    GLU  41           HN       GLU  41   7.186   6.040   1.869
  316    HA   GLU  41           HA       GLU  41   4.484   6.001   3.029
  317   1HB   GLU  41           HB2      GLU  41   6.604   7.129   4.545
  318   2HB   GLU  41           HB1      GLU  41   5.680   8.481   3.891
  319   1HG   GLU  41           HG2      GLU  41   3.729   6.658   4.696
  320   2HG   GLU  41           HG1      GLU  41   4.941   6.579   5.974
  321    H    ALA  42           HN       ALA  42   3.311   8.087   2.379
  322    HA   ALA  42           HA       ALA  42   4.591   9.674   0.278
  323   1HB   ALA  42           HB3      ALA  42   3.133   7.285  -0.395
  324   2HB   ALA  42           HB2      ALA  42   2.275   8.694  -1.018
  325   3HB   ALA  42           HB1      ALA  42   3.957   8.415  -1.470
  326    H    GLU  43           HN       GLU  43   2.340  10.642  -0.981
  327    HA   GLU  43           HA       GLU  43   0.550  11.635   1.169
  328   1HB   GLU  43           HB2      GLU  43   0.777  13.941   0.116
  329   2HB   GLU  43           HB1      GLU  43   2.180  13.376   1.024
  330   1HG   GLU  43           HG2      GLU  43   3.418  13.719  -0.825
  331   2HG   GLU  43           HG1      GLU  43   2.543  12.389  -1.583
  332    H    LYS  44           HN       LYS  44  -1.268  10.534   0.278
  333    HA   LYS  44           HA       LYS  44  -2.171  11.602  -2.342
  334   1HB   LYS  44           HB2      LYS  44  -2.435   8.666  -1.728
  335   2HB   LYS  44           HB1      LYS  44  -2.574   9.484  -3.282
  336   1HG   LYS  44           HG2      LYS  44  -0.208   9.918  -3.360
  337   2HG   LYS  44           HG1      LYS  44   0.000   9.385  -1.691
  338   1HD   LYS  44           HD2      LYS  44  -0.829   7.109  -2.400
  339   2HD   LYS  44           HD1      LYS  44  -0.778   7.676  -4.069
  340   1HE   LYS  44           HE2      LYS  44   1.545   7.400  -2.147
  341   2HE   LYS  44           HE1      LYS  44   1.299   6.540  -3.667
  342   1HZ   LYS  44           HZ1      LYS  44   1.637   9.480  -3.440
  343   2HZ   LYS  44           HZ3      LYS  44   2.883   8.401  -3.840
  344   3HZ   LYS  44           HZ2      LYS  44   1.546   8.574  -4.874
  345    H    ARG  45           HN       ARG  45  -4.456  10.064  -2.624
  346    HA   ARG  45           HA       ARG  45  -6.042   9.968  -0.187
  347   1HB   ARG  45           HB2      ARG  45  -7.521  11.834  -0.697
  348   2HB   ARG  45           HB1      ARG  45  -5.863  12.441  -0.622
  349   1HG   ARG  45           HG2      ARG  45  -5.719  12.117  -3.119
  350   2HG   ARG  45           HG1      ARG  45  -7.446  11.756  -3.113
  351   1HD   ARG  45           HD2      ARG  45  -7.160  14.131  -1.616
  352   2HD   ARG  45           HD1      ARG  45  -6.132  14.334  -3.034
  353    HE   ARG  45           HE       ARG  45  -8.503  13.337  -4.068
  354   1HH1  ARG  45          HH21      ARG  45  -7.571  15.959  -2.020
  355   2HH1  ARG  45          HH22      ARG  45  -8.864  16.989  -2.537
  356   1HH2  ARG  45          HH11      ARG  45 -10.189  14.671  -4.747
  357   2HH2  ARG  45          HH12      ARG  45 -10.344  16.262  -4.079
  358    H    LEU  46           HN       LEU  46  -8.457   9.610  -0.859
  359    HA   LEU  46           HA       LEU  46  -8.905   8.771  -3.623
  360   1HB   LEU  46           HB2      LEU  46  -7.859   6.900  -1.795
  361   2HB   LEU  46           HB1      LEU  46  -9.552   6.499  -1.979
  362    HG   LEU  46           HG       LEU  46  -8.011   5.336  -3.601
  363   1HD1  LEU  46          HD12      LEU  46 -10.233   7.138  -4.536
  364   2HD1  LEU  46          HD11      LEU  46  -9.460   5.972  -5.608
  365   3HD1  LEU  46          HD13      LEU  46 -10.303   5.417  -4.162
  366   1HD2  LEU  46          HD23      LEU  46  -6.480   7.254  -3.985
  367   2HD2  LEU  46          HD22      LEU  46  -7.141   6.624  -5.490
  368   3HD2  LEU  46          HD21      LEU  46  -7.780   8.114  -4.807
  369    H    GLU  47           HN       GLU  47 -11.137   8.673  -4.065
  370    HA   GLU  47           HA       GLU  47 -12.986   8.702  -1.733
  371   1HB   GLU  47           HB2      GLU  47 -12.333  11.045  -2.919
  372   2HB   GLU  47           HB1      GLU  47 -13.662  10.541  -3.965
  373   1HG   GLU  47           HG2      GLU  47 -14.725   9.982  -1.528
  374   2HG   GLU  47           HG1      GLU  47 -13.706  11.363  -1.119
  375    H    ILE  48           HN       ILE  48 -14.892   7.579  -2.134
  376    HA   ILE  48           HA       ILE  48 -15.644   6.931  -4.917
  377    HB   ILE  48           HB       ILE  48 -15.126   4.723  -2.906
  378   1HG1  ILE  48          HG12      ILE  48 -13.304   4.170  -4.699
  379   2HG1  ILE  48          HG11      ILE  48 -13.439   5.876  -5.120
  380   1HG2  ILE  48          HG22      ILE  48 -16.018   4.825  -5.790
  381   2HG2  ILE  48          HG21      ILE  48 -15.306   3.370  -5.092
  382   3HG2  ILE  48          HG23      ILE  48 -16.804   4.023  -4.430
  383   1HD1  ILE  48          HD13      ILE  48 -13.323   5.749  -2.290
  384   2HD1  ILE  48          HD12      ILE  48 -12.057   4.682  -2.896
  385   3HD1  ILE  48          HD11      ILE  48 -12.093   6.375  -3.388
  386    H    ARG  49           HN       ARG  49 -17.771   5.803  -4.995
  387    HA   ARG  49           HA       ARG  49 -19.490   6.713  -2.748
  388   1HB   ARG  49           HB2      ARG  49 -20.571   5.562  -5.298
  389   2HB   ARG  49           HB1      ARG  49 -21.254   6.819  -4.267
  390   1HG   ARG  49           HG2      ARG  49 -18.834   7.911  -5.076
  391   2HG   ARG  49           HG1      ARG  49 -19.399   7.066  -6.518
  392   1HD   ARG  49           HD2      ARG  49 -21.636   8.387  -5.347
  393   2HD   ARG  49           HD1      ARG  49 -20.322   9.556  -5.447
  394    HE   ARG  49           HE       ARG  49 -21.901   8.696  -7.632
  395   1HH1  ARG  49          HH21      ARG  49 -18.549   9.016  -6.806
  396   2HH1  ARG  49          HH22      ARG  49 -18.021   8.969  -8.452
  397   1HH2  ARG  49          HH11      ARG  49 -21.210   8.665  -9.762
  398   2HH2  ARG  49          HH12      ARG  49 -19.519   8.783 -10.119
  399    H    ARG  50           HN       ARG  50 -21.629   4.841  -3.463
  400    HA   ARG  50           HA       ARG  50 -20.858   2.648  -1.750
  401   1HB   ARG  50           HB2      ARG  50 -23.084   1.730  -2.303
  402   2HB   ARG  50           HB1      ARG  50 -23.189   3.440  -1.887
  403   1HG   ARG  50           HG2      ARG  50 -23.339   4.075  -4.206
  404   2HG   ARG  50           HG1      ARG  50 -22.966   2.434  -4.735
  405   1HD   ARG  50           HD2      ARG  50 -25.195   2.338  -2.941
  406   2HD   ARG  50           HD1      ARG  50 -25.527   3.552  -4.175
  407    HE   ARG  50           HE       ARG  50 -25.673   0.745  -4.559
  408   1HH1  ARG  50          HH21      ARG  50 -24.233   3.516  -6.057
  409   2HH1  ARG  50          HH22      ARG  50 -23.995   2.718  -7.572
  410   1HH2  ARG  50          HH11      ARG  50 -25.379  -0.278  -6.536
  411   2HH2  ARG  50          HH12      ARG  50 -24.647   0.586  -7.847
  412    H    GLU  51           HN       GLU  51 -20.389   3.249  -5.067
  413    HA   GLU  51           HA       GLU  51 -20.589   0.588  -6.110
  414   1HB   GLU  51           HB2      GLU  51 -20.460   2.523  -7.595
  415   2HB   GLU  51           HB1      GLU  51 -18.847   2.904  -6.993
  416   1HG   GLU  51           HG2      GLU  51 -17.864   1.303  -8.268
  417   2HG   GLU  51           HG1      GLU  51 -19.143   0.133  -7.941
  418    H    THR  52           HN       THR  52 -18.447   1.900  -3.835
  419    HA   THR  52           HA       THR  52 -16.018   0.585  -4.522
  420    HB   THR  52           HB       THR  52 -16.745   0.714  -1.643
  421    HG1  THR  52           HG1      THR  52 -16.082   3.164  -2.479
  422   1HG2  THR  52          HG22      THR  52 -14.416   0.992  -3.407
  423   2HG2  THR  52          HG21      THR  52 -14.471   2.206  -2.128
  424   3HG2  THR  52          HG23      THR  52 -14.492   0.491  -1.718
  425    H    VAL  53           HN       VAL  53 -18.870  -0.554  -2.728
  426    HA   VAL  53           HA       VAL  53 -17.958  -3.018  -1.793
  427    HB   VAL  53           HB       VAL  53 -20.602  -2.474  -3.189
  428   1HG1  VAL  53          HG11      VAL  53 -19.443  -4.877  -2.088
  429   2HG1  VAL  53          HG13      VAL  53 -20.848  -4.402  -1.133
  430   3HG1  VAL  53          HG12      VAL  53 -21.010  -4.664  -2.870
  431   1HG2  VAL  53          HG21      VAL  53 -19.524  -1.938  -0.456
  432   2HG2  VAL  53          HG23      VAL  53 -20.693  -1.016  -1.401
  433   3HG2  VAL  53          HG22      VAL  53 -21.195  -2.489  -0.572
  434    H    GLU  54           HN       GLU  54 -18.696  -2.019  -5.080
  435    HA   GLU  54           HA       GLU  54 -18.423  -4.649  -6.267
  436   1HB   GLU  54           HB2      GLU  54 -19.583  -3.040  -7.590
  437   2HB   GLU  54           HB1      GLU  54 -18.324  -1.828  -7.360
  438   1HG   GLU  54           HG2      GLU  54 -17.133  -2.602  -9.110
  439   2HG   GLU  54           HG1      GLU  54 -17.266  -4.269  -8.550
  440    H    GLU  55           HN       GLU  55 -16.270  -1.840  -5.849
  441    HA   GLU  55           HA       GLU  55 -13.964  -2.769  -7.124
  442   1HB   GLU  55           HB2      GLU  55 -14.273  -1.256  -4.517
  443   2HB   GLU  55           HB1      GLU  55 -12.707  -1.542  -5.274
  444   1HG   GLU  55           HG2      GLU  55 -14.514  -0.570  -7.273
  445   2HG   GLU  55           HG1      GLU  55 -14.587   0.509  -5.879
  446    H    ASN  56           HN       ASN  56 -15.075  -3.534  -3.818
  447    HA   ASN  56           HA       ASN  56 -12.908  -5.261  -3.133
  448   1HB   ASN  56           HB2      ASN  56 -15.088  -4.329  -1.795
  449   2HB   ASN  56           HB1      ASN  56 -15.596  -5.989  -2.111
  450   1HD2  ASN  56          HD22      ASN  56 -12.609  -7.277  -0.323
  451   2HD2  ASN  56          HD21      ASN  56 -13.298  -7.473  -1.862
  452    H    LEU  57           HN       LEU  57 -15.980  -5.836  -4.804
  453    HA   LEU  57           HA       LEU  57 -15.901  -8.657  -4.935
  454   1HB   LEU  57           HB2      LEU  57 -17.845  -7.429  -5.726
  455   2HB   LEU  57           HB1      LEU  57 -16.887  -6.648  -6.983
  456    HG   LEU  57           HG       LEU  57 -16.357  -9.151  -7.679
  457   1HD1  LEU  57          HD13      LEU  57 -18.974  -9.332  -6.163
  458   2HD1  LEU  57          HD12      LEU  57 -18.419 -10.549  -7.313
  459   3HD1  LEU  57          HD11      LEU  57 -17.496 -10.239  -5.842
  460   1HD2  LEU  57          HD23      LEU  57 -18.871  -7.565  -8.228
  461   2HD2  LEU  57          HD22      LEU  57 -17.423  -7.692  -9.227
  462   3HD2  LEU  57          HD21      LEU  57 -18.514  -9.069  -9.079
  463    H    GLY  58           HN       GLY  58 -14.629  -6.329  -7.356
  464   1HA   GLY  58           HA2      GLY  58 -13.262  -8.402  -8.845
  465   2HA   GLY  58           HA1      GLY  58 -13.022  -6.666  -9.043
  466    H    ARG  59           HN       ARG  59 -12.606  -6.921  -5.883
  467    HA   ARG  59           HA       ARG  59  -9.669  -7.120  -6.146
  468   1HB   ARG  59           HB2      ARG  59 -11.179  -5.386  -4.737
  469   2HB   ARG  59           HB1      ARG  59 -10.935  -6.618  -3.498
  470   1HG   ARG  59           HG2      ARG  59  -8.808  -5.954  -3.179
  471   2HG   ARG  59           HG1      ARG  59  -8.457  -6.115  -4.900
  472   1HD   ARG  59           HD2      ARG  59  -8.099  -3.796  -4.208
  473   2HD   ARG  59           HD1      ARG  59  -9.486  -3.883  -5.293
  474    HE   ARG  59           HE       ARG  59 -10.600  -4.111  -2.762
  475   1HH1  ARG  59          HH21      ARG  59  -8.482  -1.916  -4.384
  476   2HH1  ARG  59          HH22      ARG  59  -8.999  -0.541  -3.468
  477   1HH2  ARG  59          HH11      ARG  59 -11.281  -2.324  -1.566
  478   2HH2  ARG  59          HH12      ARG  59 -10.582  -0.770  -1.877
  479    H    ALA  60           HN       ALA  60 -12.251  -9.152  -5.361
  480    HA   ALA  60           HA       ALA  60 -11.445 -10.703  -3.205
  481   1HB   ALA  60           HB3      ALA  60 -13.361 -10.996  -5.086
  482   2HB   ALA  60           HB2      ALA  60 -12.231 -12.236  -5.629
  483   3HB   ALA  60           HB1      ALA  60 -12.891 -12.301  -3.995
  484    H    TRP  61           HN       TRP  61  -9.887 -10.403  -6.313
  485    HA   TRP  61           HA       TRP  61  -8.162 -12.747  -5.832
  486   1HB   TRP  61           HB2      TRP  61  -9.007 -12.001  -8.135
  487   2HB   TRP  61           HB1      TRP  61  -7.844 -10.681  -8.012
  488    HD1  TRP  61           HD1      TRP  61  -7.130 -14.178  -6.646
  489    HE1  TRP  61           HE1      TRP  61  -5.164 -15.196  -7.968
  490    HE3  TRP  61           HE3      TRP  61  -6.565 -10.621 -10.263
  491    HZ2  TRP  61           HZ2      TRP  61  -3.562 -14.580 -10.259
  492    HZ3  TRP  61           HZ3      TRP  61  -4.816 -10.860 -12.002
  493    HH2  TRP  61           HH2      TRP  61  -3.314 -12.833 -12.004
  494    H    ASP  62           HN       ASP  62  -7.999 -10.741  -3.829
  495    HA   ASP  62           HA       ASP  62  -5.316  -9.538  -4.359
  496   1HB   ASP  62           HB2      ASP  62  -7.304  -8.028  -3.742
  497   2HB   ASP  62           HB1      ASP  62  -7.201  -8.747  -2.135
  498    H    VAL  63           HN       VAL  63  -4.525 -11.792  -3.854
  499    HA   VAL  63           HA       VAL  63  -4.825 -12.818  -1.154
  500    HB   VAL  63           HB       VAL  63  -2.586 -13.540  -3.042
  501   1HG1  VAL  63          HG13      VAL  63  -4.075 -14.825  -0.770
  502   2HG1  VAL  63          HG12      VAL  63  -3.318 -15.839  -1.998
  503   3HG1  VAL  63          HG11      VAL  63  -2.335 -14.726  -1.046
  504   1HG2  VAL  63          HG22      VAL  63  -5.512 -14.313  -3.171
  505   2HG2  VAL  63          HG21      VAL  63  -4.530 -13.600  -4.451
  506   3HG2  VAL  63          HG23      VAL  63  -4.240 -15.263  -3.938
  507    H    GLN  64           HN       GLN  64  -3.256 -10.116  -2.185
  508    HA   GLN  64           HA       GLN  64  -0.661 -10.175  -1.156
  509   1HB   GLN  64           HB2      GLN  64  -2.761  -8.063  -1.376
  510   2HB   GLN  64           HB1      GLN  64  -1.359  -7.715  -0.363
  511   1HG   GLN  64           HG2      GLN  64  -0.958  -6.971  -2.675
  512   2HG   GLN  64           HG1      GLN  64   0.138  -8.284  -2.247
  513   1HE2  GLN  64          HE22      GLN  64  -1.282 -10.586  -4.560
  514   2HE2  GLN  64          HE21      GLN  64  -0.262 -10.413  -3.213
  515    H    GLU  65           HN       GLU  65  -3.672 -10.411   0.562
  516    HA   GLU  65           HA       GLU  65  -2.914  -9.535   3.141
  517   1HB   GLU  65           HB2      GLU  65  -4.620 -11.205   3.961
  518   2HB   GLU  65           HB1      GLU  65  -5.216 -10.132   2.695
  519   1HG   GLU  65           HG2      GLU  65  -4.355 -12.053   1.095
  520   2HG   GLU  65           HG1      GLU  65  -4.532 -13.047   2.540
  521    H    MET  66           HN       MET  66  -2.598 -12.801   1.705
  522    HA   MET  66           HA       MET  66  -1.251 -13.911   4.002
  523   1HB   MET  66           HB2      MET  66  -1.974 -14.770   1.301
  524   2HB   MET  66           HB1      MET  66  -0.406 -15.399   1.809
  525   1HG   MET  66           HG2      MET  66  -1.696 -15.916   4.059
  526   2HG   MET  66           HG1      MET  66  -3.113 -15.863   3.009
  527   1HE   MET  66           HE1      MET  66  -1.934 -17.814   4.826
  528   2HE   MET  66           HE3      MET  66  -2.204 -19.384   4.056
  529   3HE   MET  66           HE2      MET  66  -0.564 -18.777   4.276
  530    H    LEU  67           HN       LEU  67  -0.245 -11.833   1.475
  531    HA   LEU  67           HA       LEU  67   2.625 -12.497   1.880
  532   1HB   LEU  67           HB2      LEU  67   1.641 -12.177  -0.439
  533   2HB   LEU  67           HB1      LEU  67   1.435 -10.475  -0.029
  534    HG   LEU  67           HG       LEU  67   3.999 -10.749   0.698
  535   1HD1  LEU  67          HD13      LEU  67   3.671 -13.236  -0.159
  536   2HD1  LEU  67          HD12      LEU  67   3.968 -12.496  -1.732
  537   3HD1  LEU  67          HD11      LEU  67   5.181 -12.374  -0.457
  538   1HD2  LEU  67          HD23      LEU  67   2.572  -9.610  -1.427
  539   2HD2  LEU  67          HD22      LEU  67   4.245  -9.269  -0.990
  540   3HD2  LEU  67          HD21      LEU  67   3.883 -10.502  -2.198
  541    H    VAL  68           HN       VAL  68   0.543 -10.852   3.589
  542    HA   VAL  68           HA       VAL  68   1.082  -8.188   3.838
  543    HB   VAL  68           HB       VAL  68   0.853 -10.274   6.008
  544   1HG1  VAL  68          HG11      VAL  68   1.430  -7.356   6.189
  545   2HG1  VAL  68          HG13      VAL  68   0.215  -8.000   7.294
  546   3HG1  VAL  68          HG12      VAL  68   1.851  -8.657   7.303
  547   1HG2  VAL  68          HG21      VAL  68  -0.993  -9.199   4.262
  548   2HG2  VAL  68          HG23      VAL  68  -1.382  -9.914   5.827
  549   3HG2  VAL  68          HG22      VAL  68  -1.175  -8.169   5.682
  550    H    ASP  69           HN       ASP  69   3.435 -10.739   4.391
  551    HA   ASP  69           HA       ASP  69   5.306  -9.356   6.012
  552   1HB   ASP  69           HB2      ASP  69   5.728 -11.267   3.725
  553   2HB   ASP  69           HB1      ASP  69   7.043 -10.652   4.711
  554    H    VAL  70           HN       VAL  70   6.647 -10.012   2.948
  555    HA   VAL  70           HA       VAL  70   8.018  -7.808   2.630
  556    HB   VAL  70           HB       VAL  70   7.623 -10.065   1.207
  557   1HG1  VAL  70          HG12      VAL  70   6.381  -7.814  -0.324
  558   2HG1  VAL  70          HG11      VAL  70   7.350  -8.994  -1.194
  559   3HG1  VAL  70          HG13      VAL  70   5.946  -9.515  -0.270
  560   1HG2  VAL  70          HG22      VAL  70   9.369  -7.751   1.139
  561   2HG2  VAL  70          HG21      VAL  70   9.747  -9.446   0.906
  562   3HG2  VAL  70          HG23      VAL  70   9.205  -8.480  -0.451
  563    H    ILE  71           HN       ILE  71   4.647  -7.761   2.437
  564    HA   ILE  71           HA       ILE  71   4.886  -5.093   1.130
  565    HB   ILE  71           HB       ILE  71   2.411  -5.551   0.505
  566   1HG1  ILE  71          HG12      ILE  71   3.206  -8.427   0.507
  567   2HG1  ILE  71          HG11      ILE  71   2.657  -7.729   2.031
  568   1HG2  ILE  71          HG23      ILE  71   4.758  -6.987  -0.753
  569   2HG2  ILE  71          HG22      ILE  71   3.171  -6.882  -1.515
  570   3HG2  ILE  71          HG21      ILE  71   4.098  -5.415  -1.202
  571   1HD1  ILE  71          HD11      ILE  71   0.946  -6.896  -0.161
  572   2HD1  ILE  71          HD13      ILE  71   1.034  -8.654  -0.063
  573   3HD1  ILE  71          HD12      ILE  71   0.513  -7.719   1.338
  574    H    THR  72           HN       THR  72   4.118  -3.409   2.276
  575    HA   THR  72           HA       THR  72   2.279  -3.942   4.558
  576    HB   THR  72           HB       THR  72   4.018  -1.687   5.074
  577    HG1  THR  72           HG1      THR  72   5.169  -4.196   4.473
  578   1HG2  THR  72          HG23      THR  72   2.701  -3.801   6.432
  579   2HG2  THR  72          HG22      THR  72   4.416  -3.927   6.824
  580   3HG2  THR  72          HG21      THR  72   3.547  -2.425   7.140
  581    H    ILE  73           HN       ILE  73   0.803  -2.208   4.984
  582    HA   ILE  73           HA       ILE  73   0.792  -0.045   2.939
  583    HB   ILE  73           HB       ILE  73  -1.854  -0.441   3.241
  584   1HG1  ILE  73          HG12      ILE  73  -0.587  -3.184   3.536
  585   2HG1  ILE  73          HG11      ILE  73  -1.573  -2.367   4.749
  586   1HG2  ILE  73          HG23      ILE  73   0.198  -1.221   1.320
  587   2HG2  ILE  73          HG22      ILE  73  -1.205  -2.288   1.256
  588   3HG2  ILE  73          HG21      ILE  73  -1.407  -0.550   1.031
  589   1HD1  ILE  73          HD13      ILE  73  -3.064  -2.315   2.343
  590   2HD1  ILE  73          HD12      ILE  73  -2.437  -3.955   2.506
  591   3HD1  ILE  73          HD11      ILE  73  -3.409  -3.250   3.798
  592    H    GLY  74           HN       GLY  74  -0.968   1.614   3.579
  593   1HA   GLY  74           HA2      GLY  74  -1.811   1.980   6.265
  594   2HA   GLY  74           HA1      GLY  74  -0.256   2.798   6.060
  595    H    GLY  75           HN       GLY  75  -2.755   2.358   3.617
  596   1HA   GLY  75           HA2      GLY  75  -3.594   5.179   3.781
  597   2HA   GLY  75           HA1      GLY  75  -2.749   4.713   2.301
  598    H    ASN  76           HN       ASN  76  -5.590   4.040   4.278
  599    HA   ASN  76           HA       ASN  76  -7.304   3.630   2.038
  600   1HB   ASN  76           HB2      ASN  76  -7.681   1.237   2.180
  601   2HB   ASN  76           HB1      ASN  76  -5.958   1.504   1.914
  602   1HD2  ASN  76          HD22      ASN  76  -6.695  -0.834   4.883
  603   2HD2  ASN  76          HD21      ASN  76  -7.425  -0.765   3.352
  604    H    VAL  77           HN       VAL  77  -9.413   3.799   2.805
  605    HA   VAL  77           HA       VAL  77 -10.181   2.938   5.422
  606    HB   VAL  77           HB       VAL  77  -8.800   4.920   6.044
  607   1HG1  VAL  77          HG11      VAL  77 -10.522   6.119   3.965
  608   2HG1  VAL  77          HG13      VAL  77 -10.333   7.098   5.419
  609   3HG1  VAL  77          HG12      VAL  77  -8.912   6.594   4.505
  610   1HG2  VAL  77          HG23      VAL  77 -11.634   4.498   6.672
  611   2HG2  VAL  77          HG22      VAL  77 -10.281   4.816   7.758
  612   3HG2  VAL  77          HG21      VAL  77 -11.108   6.156   6.963
  613    H    ASP  78           HN       ASP  78 -11.349   2.390   3.097
  614    HA   ASP  78           HA       ASP  78 -13.197   4.071   1.924
  615   1HB   ASP  78           HB2      ASP  78 -12.768   1.241   2.086
  616   2HB   ASP  78           HB1      ASP  78 -14.495   1.590   2.107
  617    H    GLU  79           HN       GLU  79 -13.326   3.167   5.146
  618    HA   GLU  79           HA       GLU  79 -16.239   3.764   5.175
  619   1HB   GLU  79           HB2      GLU  79 -14.641   1.814   6.598
  620   2HB   GLU  79           HB1      GLU  79 -15.464   2.873   7.743
  621   1HG   GLU  79           HG2      GLU  79 -17.205   1.429   7.410
  622   2HG   GLU  79           HG1      GLU  79 -17.478   2.428   5.982
  623    H    ASP  80           HN       ASP  80 -16.155   6.016   5.221
  624    HA   ASP  80           HA       ASP  80 -14.637   7.248   7.484
  625   1HB   ASP  80           HB2      ASP  80 -15.093   8.022   4.730
  626   2HB   ASP  80           HB1      ASP  80 -15.689   9.272   5.822
  627    H    ASP  81           HN       ASP  81 -17.462   8.501   5.748
  628    HA   ASP  81           HA       ASP  81 -18.850   8.732   8.378
  629   1HB   ASP  81           HB2      ASP  81 -18.652  10.865   7.295
  630   2HB   ASP  81           HB1      ASP  81 -19.191  10.200   5.754
  631    H    ASP  82           HN       ASP  82 -20.279   8.687   5.138
  632    HA   ASP  82           HA       ASP  82 -21.690   6.156   5.876
  633   1HB   ASP  82           HB2      ASP  82 -22.855   8.639   4.583
  634   2HB   ASP  82           HB1      ASP  82 -23.696   7.091   4.679
  635    H    ARG  83           HN       ARG  83 -20.310   8.204   3.376
  636    HA   ARG  83           HA       ARG  83 -20.957   6.345   1.209
  637   1HB   ARG  83           HB2      ARG  83 -19.815   9.011   1.494
  638   2HB   ARG  83           HB1      ARG  83 -18.872   8.031   0.374
  639   1HG   ARG  83           HG2      ARG  83 -20.660   9.196  -0.833
  640   2HG   ARG  83           HG1      ARG  83 -20.960   7.457  -0.845
  641   1HD   ARG  83           HD2      ARG  83 -22.486   7.730   1.097
  642   2HD   ARG  83           HD1      ARG  83 -22.225   9.473   1.035
  643    HE   ARG  83           HE       ARG  83 -23.073   8.845  -1.524
  644   1HH1  ARG  83          HH21      ARG  83 -24.213   8.285   1.689
  645   2HH1  ARG  83          HH22      ARG  83 -25.884   8.297   1.235
  646   1HH2  ARG  83          HH11      ARG  83 -25.249   8.861  -2.125
  647   2HH2  ARG  83          HH12      ARG  83 -26.470   8.622  -0.919
  648    H    PHE  84           HN       PHE  84 -18.340   6.356  -0.086
  649    HA   PHE  84           HA       PHE  84 -16.802   4.732   1.890
  650   1HB   PHE  84           HB2      PHE  84 -17.945   3.910  -0.637
  651   2HB   PHE  84           HB1      PHE  84 -16.188   3.756  -0.682
  652    HD1  PHE  84           HD1      PHE  84 -18.673   3.378   2.096
  653    HD2  PHE  84           HD2      PHE  84 -15.616   1.523  -0.278
  654    HE1  PHE  84           HE1      PHE  84 -18.816   1.341   3.505
  655    HE2  PHE  84           HE2      PHE  84 -15.757  -0.514   1.127
  656    HZ   PHE  84           HZ       PHE  84 -17.357  -0.606   3.020
  657    H    VAL  85           HN       VAL  85 -14.951   5.859   2.290
  658    HA   VAL  85           HA       VAL  85 -13.609   7.091  -0.100
  659    HB   VAL  85           HB       VAL  85 -14.743   8.747   1.543
  660   1HG1  VAL  85          HG13      VAL  85 -13.555   7.293   3.469
  661   2HG1  VAL  85          HG12      VAL  85 -12.260   8.455   3.184
  662   3HG1  VAL  85          HG11      VAL  85 -13.860   9.019   3.667
  663   1HG2  VAL  85          HG21      VAL  85 -11.804   8.855   0.813
  664   2HG2  VAL  85          HG23      VAL  85 -13.155   9.547  -0.083
  665   3HG2  VAL  85          HG22      VAL  85 -12.680  10.238   1.467
  666    H    LEU  86           HN       LEU  86 -11.398   6.707  -0.206
  667    HA   LEU  86           HA       LEU  86 -10.062   5.657   2.218
  668   1HB   LEU  86           HB2      LEU  86  -9.002   3.904   0.698
  669   2HB   LEU  86           HB1      LEU  86 -10.668   3.607   1.174
  670    HG   LEU  86           HG       LEU  86 -11.037   5.062  -1.100
  671   1HD1  LEU  86          HD11      LEU  86  -8.473   4.960  -1.332
  672   2HD1  LEU  86          HD13      LEU  86  -8.700   3.258  -1.725
  673   3HD1  LEU  86          HD12      LEU  86  -9.427   4.502  -2.741
  674   1HD2  LEU  86          HD22      LEU  86 -11.183   2.299  -0.258
  675   2HD2  LEU  86          HD21      LEU  86 -12.211   3.162  -1.403
  676   3HD2  LEU  86          HD23      LEU  86 -10.728   2.389  -1.959
  677    H    GLU  87           HN       GLU  87  -7.663   5.221   1.364
  678    HA   GLU  87           HA       GLU  87  -6.865   7.813   0.136
  679   1HB   GLU  87           HB2      GLU  87  -5.925   6.613   2.372
  680   2HB   GLU  87           HB1      GLU  87  -4.741   6.085   1.187
  681   1HG   GLU  87           HG2      GLU  87  -4.141   8.291   0.628
  682   2HG   GLU  87           HG1      GLU  87  -5.622   8.961   1.312
  683    H    TRP  88           HN       TRP  88  -4.768   7.668  -1.143
  684    HA   TRP  88           HA       TRP  88  -5.270   5.955  -3.411
  685   1HB   TRP  88           HB2      TRP  88  -3.992   8.331  -3.106
  686   2HB   TRP  88           HB1      TRP  88  -2.613   7.241  -3.217
  687    HD1  TRP  88           HD1      TRP  88  -5.163   5.578  -5.148
  688    HE1  TRP  88           HE1      TRP  88  -4.994   6.111  -7.657
  689    HE3  TRP  88           HE3      TRP  88  -2.044   9.637  -5.004
  690    HZ2  TRP  88           HZ2      TRP  88  -3.715   7.992  -9.381
  691    HZ3  TRP  88           HZ3      TRP  88  -1.373  10.772  -7.096
  692    HH2  TRP  88           HH2      TRP  88  -2.201   9.955  -9.284
  693    H    LYS  89           HN       LYS  89  -5.107   3.835  -2.326
  694    HA   LYS  89           HA       LYS  89  -2.664   2.489  -2.761
  695   1HB   LYS  89           HB2      LYS  89  -2.289   4.069  -0.601
  696   2HB   LYS  89           HB1      LYS  89  -2.975   2.653   0.194
  697   1HG   LYS  89           HG2      LYS  89  -0.713   2.102   0.177
  698   2HG   LYS  89           HG1      LYS  89  -1.259   1.342  -1.319
  699   1HD   LYS  89           HD2      LYS  89  -0.594   4.109  -1.811
  700   2HD   LYS  89           HD1      LYS  89   0.765   3.292  -1.038
  701   1HE   LYS  89           HE2      LYS  89  -0.339   1.520  -2.991
  702   2HE   LYS  89           HE1      LYS  89  -0.089   3.090  -3.753
  703   1HZ   LYS  89           HZ3      LYS  89   2.155   2.799  -2.305
  704   2HZ   LYS  89           HZ2      LYS  89   1.846   1.193  -2.764
  705   3HZ   LYS  89           HZ1      LYS  89   2.014   2.400  -3.947
  706    H    ASN  90           HN       ASN  90  -3.042   0.273  -2.618
  707    HA   ASN  90           HA       ASN  90  -5.765  -0.575  -2.080
  708   1HB   ASN  90           HB2      ASN  90  -4.040  -1.580  -3.752
  709   2HB   ASN  90           HB1      ASN  90  -3.429  -2.459  -2.351
  710   1HD2  ASN  90          HD22      ASN  90  -6.011  -4.837  -2.491
  711   2HD2  ASN  90          HD21      ASN  90  -4.457  -4.423  -1.949
   
  No H/Q in entry =         711
  Start of MODEL    8
    1   1H    MET   1           HT3      MET   1  -3.335  20.312  -0.557
    2   2H    MET   1           HT2      MET   1  -4.152  19.960  -2.004
    3   3H    MET   1           HT1      MET   1  -4.762  19.397  -0.522
    4    HA   MET   1           HA       MET   1  -3.114  17.800  -0.280
    5   1HB   MET   1           HB2      MET   1  -3.248  16.511  -2.309
    6   2HB   MET   1           HB1      MET   1  -4.770  17.390  -2.159
    7   1HG   MET   1           HG2      MET   1  -4.371  18.143  -4.253
    8   2HG   MET   1           HG1      MET   1  -3.143  19.176  -3.521
    9   1HE   MET   1           HE1      MET   1  -2.639  19.106  -6.003
   10   2HE   MET   1           HE3      MET   1  -1.464  17.999  -6.727
   11   3HE   MET   1           HE2      MET   1  -3.176  17.584  -6.711
   12    H    SER   2           HN       SER   2  -0.988  16.933  -0.973
   13    HA   SER   2           HA       SER   2   0.778  18.309  -2.733
   14   1HB   SER   2           HB2      SER   2   0.437  20.083  -0.927
   15   2HB   SER   2           HB1      SER   2   1.288  18.998   0.170
   16    HG   SER   2           HG       SER   2   2.975  19.973  -0.651
   17    H    SER   3           HN       SER   3   2.215  16.721  -3.203
   18    HA   SER   3           HA       SER   3   3.699  14.929  -2.897
   19   1HB   SER   3           HB2      SER   3   3.479  15.175   0.078
   20   2HB   SER   3           HB1      SER   3   4.893  14.811  -0.909
   21    HG   SER   3           HG       SER   3   5.221  16.885  -1.211
   22    H    LEU   4           HN       LEU   4   2.385  13.172  -3.563
   23    HA   LEU   4           HA       LEU   4   1.050  11.749  -1.342
   24   1HB   LEU   4           HB2      LEU   4  -0.823  11.296  -3.127
   25   2HB   LEU   4           HB1      LEU   4  -0.863  12.764  -2.157
   26    HG   LEU   4           HG       LEU   4   0.555  13.783  -4.109
   27   1HD1  LEU   4          HD12      LEU   4  -0.531  11.225  -5.264
   28   2HD1  LEU   4          HD11      LEU   4  -0.303  12.637  -6.295
   29   3HD1  LEU   4          HD13      LEU   4   1.075  11.930  -5.451
   30   1HD2  LEU   4          HD21      LEU   4  -2.373  13.073  -4.466
   31   2HD2  LEU   4          HD23      LEU   4  -1.753  14.450  -3.555
   32   3HD2  LEU   4          HD22      LEU   4  -1.528  14.376  -5.302
   33    H    VAL   5           HN       VAL   5   0.461   9.581  -1.820
   34    HA   VAL   5           HA       VAL   5   2.259   8.228  -3.829
   35    HB   VAL   5           HB       VAL   5   1.717   7.870  -0.976
   36   1HG1  VAL   5          HG13      VAL   5   0.227   6.033  -2.003
   37   2HG1  VAL   5          HG12      VAL   5   1.747   5.272  -2.477
   38   3HG1  VAL   5          HG11      VAL   5   1.399   5.562  -0.776
   39   1HG2  VAL   5          HG21      VAL   5   3.798   7.472  -2.929
   40   2HG2  VAL   5          HG23      VAL   5   3.933   7.725  -1.189
   41   3HG2  VAL   5          HG22      VAL   5   3.693   6.098  -1.827
   42    H    TYR   6           HN       TYR   6   1.156   5.880  -4.091
   43    HA   TYR   6           HA       TYR   6  -1.745   5.973  -4.214
   44   1HB   TYR   6           HB2      TYR   6  -1.663   7.075  -6.239
   45   2HB   TYR   6           HB1      TYR   6  -0.039   6.501  -6.599
   46    HD1  TYR   6           HD2      TYR   6  -3.282   4.787  -5.830
   47    HD2  TYR   6           HD1      TYR   6  -0.009   5.247  -8.555
   48    HE1  TYR   6           HE2      TYR   6  -4.237   3.012  -7.259
   49    HE2  TYR   6           HE1      TYR   6  -0.956   3.472  -9.992
   50    HH   TYR   6           HH       TYR   6  -4.151   2.194  -9.472
   51    H    ILE   7           HN       ILE   7  -2.569   3.826  -4.422
   52    HA   ILE   7           HA       ILE   7  -0.778   1.678  -5.294
   53    HB   ILE   7           HB       ILE   7  -0.947   0.453  -3.110
   54   1HG1  ILE   7          HG12      ILE   7  -2.117   3.114  -2.269
   55   2HG1  ILE   7          HG11      ILE   7  -2.841   1.513  -2.104
   56   1HG2  ILE   7          HG22      ILE   7   1.025   1.949  -3.821
   57   2HG2  ILE   7          HG21      ILE   7   0.371   3.138  -2.695
   58   3HG2  ILE   7          HG23      ILE   7   0.896   1.561  -2.105
   59   1HD1  ILE   7          HD13      ILE   7  -0.330   1.379  -0.826
   60   2HD1  ILE   7          HD12      ILE   7  -1.075   2.887  -0.294
   61   3HD1  ILE   7          HD11      ILE   7  -1.921   1.356  -0.066
   62    H    ALA   8           HN       ALA   8  -2.086  -0.045  -6.044
   63    HA   ALA   8           HA       ALA   8  -4.905   0.076  -5.061
   64   1HB   ALA   8           HB2      ALA   8  -3.967  -0.048  -7.924
   65   2HB   ALA   8           HB1      ALA   8  -5.590  -0.544  -7.443
   66   3HB   ALA   8           HB3      ALA   8  -5.063   1.118  -7.182
   67    H    PHE   9           HN       PHE   9  -5.949  -1.924  -4.909
   68    HA   PHE   9           HA       PHE   9  -4.356  -4.310  -5.635
   69   1HB   PHE   9           HB2      PHE   9  -4.584  -5.207  -3.473
   70   2HB   PHE   9           HB1      PHE   9  -3.997  -3.583  -3.213
   71    HD1  PHE   9           HD2      PHE   9  -7.003  -5.757  -3.228
   72    HD2  PHE   9           HD1      PHE   9  -5.304  -2.025  -1.954
   73    HE1  PHE   9           HE2      PHE   9  -8.970  -5.365  -1.780
   74    HE2  PHE   9           HE1      PHE   9  -7.271  -1.631  -0.501
   75    HZ   PHE   9           HZ       PHE   9  -9.105  -3.297  -0.410
   76    H    GLN  10           HN       GLN  10  -5.801  -6.338  -5.311
   77    HA   GLN  10           HA       GLN  10  -8.627  -5.546  -5.872
   78   1HB   GLN  10           HB2      GLN  10  -8.427  -6.576  -7.862
   79   2HB   GLN  10           HB1      GLN  10  -6.786  -7.072  -7.479
   80   1HG   GLN  10           HG2      GLN  10  -7.840  -9.128  -7.818
   81   2HG   GLN  10           HG1      GLN  10  -7.985  -8.939  -6.079
   82   1HE2  GLN  10          HE22      GLN  10 -11.459  -7.572  -6.919
   83   2HE2  GLN  10          HE21      GLN  10 -10.044  -6.701  -6.634
   84    H    ASP  11           HN       ASP  11 -10.248  -6.742  -4.817
   85    HA   ASP  11           HA       ASP  11  -9.251  -8.524  -2.641
   86   1HB   ASP  11           HB2      ASP  11 -11.167  -7.876  -1.362
   87   2HB   ASP  11           HB1      ASP  11 -10.517  -6.390  -2.055
   88    H    ASN  12           HN       ASN  12 -10.479 -10.461  -2.178
   89    HA   ASN  12           HA       ASN  12 -11.663 -11.657  -4.562
   90   1HB   ASN  12           HB2      ASN  12 -11.778 -13.572  -2.687
   91   2HB   ASN  12           HB1      ASN  12 -10.343 -13.272  -3.640
   92   1HD2  ASN  12          HD22      ASN  12 -10.356 -12.472   0.355
   93   2HD2  ASN  12          HD21      ASN  12 -11.780 -12.955  -0.433
   94    H    ASP  13           HN       ASP  13 -12.544 -10.749  -1.274
   95    HA   ASP  13           HA       ASP  13 -15.223 -10.132  -1.749
   96   1HB   ASP  13           HB2      ASP  13 -15.652 -12.409  -2.456
   97   2HB   ASP  13           HB1      ASP  13 -14.809 -13.058  -1.050
   98    H    ASN  14           HN       ASN  14 -12.924 -11.705   0.390
   99    HA   ASN  14           HA       ASN  14 -14.243 -10.431   2.750
  100   1HB   ASN  14           HB2      ASN  14 -12.597 -12.853   2.334
  101   2HB   ASN  14           HB1      ASN  14 -12.194 -11.925   3.780
  102   1HD2  ASN  14          HD22      ASN  14 -15.072 -14.344   4.425
  103   2HD2  ASN  14          HD21      ASN  14 -13.561 -14.571   3.688
  104    H    ALA  15           HN       ALA  15 -11.320 -10.488   0.820
  105    HA   ALA  15           HA       ALA  15  -9.524  -9.107   2.481
  106   1HB   ALA  15           HB1      ALA  15  -9.796  -9.648  -0.353
  107   2HB   ALA  15           HB3      ALA  15  -9.172  -8.020  -0.092
  108   3HB   ALA  15           HB2      ALA  15  -8.327  -9.408   0.594
  109    H    ARG  16           HN       ARG  16 -12.455  -8.008   1.034
  110    HA   ARG  16           HA       ARG  16 -11.914  -5.193   0.959
  111   1HB   ARG  16           HB2      ARG  16 -14.490  -6.750   1.313
  112   2HB   ARG  16           HB1      ARG  16 -14.430  -4.999   1.103
  113   1HG   ARG  16           HG2      ARG  16 -12.841  -5.849  -0.962
  114   2HG   ARG  16           HG1      ARG  16 -14.037  -7.143  -0.883
  115   1HD   ARG  16           HD2      ARG  16 -14.916  -4.266  -0.796
  116   2HD   ARG  16           HD1      ARG  16 -14.562  -5.040  -2.342
  117    HE   ARG  16           HE       ARG  16 -16.273  -6.823  -1.094
  118   1HH1  ARG  16          HH21      ARG  16 -16.286  -3.448  -1.837
  119   2HH1  ARG  16          HH22      ARG  16 -18.006  -3.360  -2.006
  120   1HH2  ARG  16          HH11      ARG  16 -18.520  -6.718  -1.312
  121   2HH2  ARG  16          HH12      ARG  16 -19.270  -5.209  -1.708
  122    H    TYR  17           HN       TYR  17 -13.668  -7.141   3.411
  123    HA   TYR  17           HA       TYR  17 -13.936  -5.078   5.329
  124   1HB   TYR  17           HB2      TYR  17 -14.100  -8.017   5.322
  125   2HB   TYR  17           HB1      TYR  17 -13.620  -7.333   6.875
  126    HD1  TYR  17           HD2      TYR  17 -15.703  -5.536   4.403
  127    HD2  TYR  17           HD1      TYR  17 -15.682  -7.808   8.048
  128    HE1  TYR  17           HE2      TYR  17 -18.053  -4.869   4.834
  129    HE2  TYR  17           HE1      TYR  17 -18.031  -7.144   8.478
  130    HH   TYR  17           HH       TYR  17 -19.500  -4.701   7.279
  131    H    VAL  18           HN       VAL  18 -11.256  -7.340   4.744
  132    HA   VAL  18           HA       VAL  18  -9.681  -6.691   7.013
  133    HB   VAL  18           HB       VAL  18  -8.809  -7.386   4.190
  134   1HG1  VAL  18          HG12      VAL  18  -7.165  -6.252   5.966
  135   2HG1  VAL  18          HG11      VAL  18  -7.111  -7.900   6.594
  136   3HG1  VAL  18          HG13      VAL  18  -6.630  -7.574   4.929
  137   1HG2  VAL  18          HG23      VAL  18  -9.383  -8.988   6.690
  138   2HG2  VAL  18          HG22      VAL  18 -10.081  -9.192   5.083
  139   3HG2  VAL  18          HG21      VAL  18  -8.398  -9.631   5.376
  140    H    VAL  19           HN       VAL  19  -9.727  -5.195   3.775
  141    HA   VAL  19           HA       VAL  19  -7.851  -3.110   4.426
  142    HB   VAL  19           HB       VAL  19 -10.044  -3.139   2.332
  143   1HG1  VAL  19          HG12      VAL  19  -7.522  -1.482   2.641
  144   2HG1  VAL  19          HG11      VAL  19  -8.526  -1.502   1.191
  145   3HG1  VAL  19          HG13      VAL  19  -9.183  -0.895   2.711
  146   1HG2  VAL  19          HG21      VAL  19  -7.582  -4.636   2.586
  147   2HG2  VAL  19          HG23      VAL  19  -8.804  -4.727   1.318
  148   3HG2  VAL  19          HG22      VAL  19  -7.490  -3.557   1.194
  149    H    GLU  20           HN       GLU  20 -11.183  -3.607   5.127
  150    HA   GLU  20           HA       GLU  20 -11.873  -0.805   5.462
  151   1HB   GLU  20           HB2      GLU  20 -13.564  -2.587   5.000
  152   2HB   GLU  20           HB1      GLU  20 -13.254  -3.252   6.605
  153   1HG   GLU  20           HG2      GLU  20 -13.814  -0.935   7.524
  154   2HG   GLU  20           HG1      GLU  20 -14.415  -0.546   5.912
  155    H    ALA  21           HN       ALA  21 -10.743  -3.395   7.597
  156    HA   ALA  21           HA       ALA  21 -11.071  -1.823  10.017
  157   1HB   ALA  21           HB3      ALA  21  -9.368  -4.272   9.457
  158   2HB   ALA  21           HB2      ALA  21  -9.659  -3.589  11.057
  159   3HB   ALA  21           HB1      ALA  21 -10.998  -4.269  10.132
  160    H    ILE  22           HN       ILE  22  -8.437  -2.399   7.723
  161    HA   ILE  22           HA       ILE  22  -6.436  -1.019   9.302
  162    HB   ILE  22           HB       ILE  22  -6.541  -1.576   6.319
  163   1HG1  ILE  22          HG12      ILE  22  -5.340  -3.075   8.668
  164   2HG1  ILE  22          HG11      ILE  22  -6.587  -3.650   7.560
  165   1HG2  ILE  22          HG23      ILE  22  -4.970   0.270   7.198
  166   2HG2  ILE  22          HG22      ILE  22  -4.095  -1.030   8.006
  167   3HG2  ILE  22          HG21      ILE  22  -4.234  -1.021   6.248
  168   1HD1  ILE  22          HD11      ILE  22  -4.637  -3.018   5.785
  169   2HD1  ILE  22          HD13      ILE  22  -3.651  -3.472   7.175
  170   3HD1  ILE  22          HD12      ILE  22  -4.807  -4.621   6.501
  171    H    ILE  23           HN       ILE  23  -8.415  -0.067   6.479
  172    HA   ILE  23           HA       ILE  23  -7.477   2.604   6.287
  173    HB   ILE  23           HB       ILE  23  -9.740   3.055   5.243
  174   1HG1  ILE  23          HG12      ILE  23 -10.832   0.602   4.844
  175   2HG1  ILE  23          HG11      ILE  23 -10.207   0.397   6.481
  176   1HG2  ILE  23          HG21      ILE  23  -8.073   0.678   4.391
  177   2HG2  ILE  23          HG23      ILE  23  -9.381   1.321   3.397
  178   3HG2  ILE  23          HG22      ILE  23  -7.990   2.333   3.785
  179   1HD1  ILE  23          HD11      ILE  23 -11.397   2.955   6.426
  180   2HD1  ILE  23          HD13      ILE  23 -12.527   1.879   5.603
  181   3HD1  ILE  23          HD12      ILE  23 -12.002   1.516   7.247
  182    H    GLN  24           HN       GLN  24 -10.014   1.160   8.296
  183    HA   GLN  24           HA       GLN  24 -11.021   3.607   9.384
  184   1HB   GLN  24           HB2      GLN  24 -11.462   0.820   9.765
  185   2HB   GLN  24           HB1      GLN  24 -11.089   1.499  11.349
  186   1HG   GLN  24           HG2      GLN  24 -12.958   2.844  11.368
  187   2HG   GLN  24           HG1      GLN  24 -12.972   3.029   9.614
  188   1HE2  GLN  24          HE22      GLN  24 -15.544   0.470  11.088
  189   2HE2  GLN  24          HE21      GLN  24 -14.955   1.870  11.844
  190    H    ASP  25           HN       ASP  25  -8.408   1.414  10.459
  191    HA   ASP  25           HA       ASP  25  -7.702   2.546  12.897
  192   1HB   ASP  25           HB2      ASP  25  -6.479   0.784  11.190
  193   2HB   ASP  25           HB1      ASP  25  -5.399   2.174  11.075
  194    H    ASN  26           HN       ASN  26  -7.174   3.803   9.656
  195    HA   ASN  26           HA       ASN  26  -6.241   6.371  10.868
  196   1HB   ASN  26           HB2      ASN  26  -5.389   6.707   8.404
  197   2HB   ASN  26           HB1      ASN  26  -4.444   5.721   9.520
  198   1HD2  ASN  26          HD22      ASN  26  -4.962   2.723   7.719
  199   2HD2  ASN  26          HD21      ASN  26  -4.277   3.457   9.088
  200    HA   PRO  27           HA       PRO  27 -10.385   7.055   9.106
  201   1HB   PRO  27           HB2      PRO  27 -10.689   9.285  10.889
  202   2HB   PRO  27           HB1      PRO  27 -11.528   7.729  10.943
  203   1HG   PRO  27           HG2      PRO  27  -9.469   8.684  12.719
  204   2HG   PRO  27           HG1      PRO  27 -10.319   7.134  12.775
  205   1HD   PRO  27           HD2      PRO  27  -7.595   7.622  11.983
  206   2HD   PRO  27           HD1      PRO  27  -8.455   6.071  12.030
  207    H    HIS  28           HN       HIS  28  -9.061   7.806   7.247
  208    HA   HIS  28           HA       HIS  28  -9.459  10.537   6.580
  209   1HB   HIS  28           HB2      HIS  28  -7.566  10.495   8.339
  210   2HB   HIS  28           HB1      HIS  28  -6.585   9.825   7.047
  211    HD1  HIS  28           HD1      HIS  28  -5.202  11.697   6.124
  212    HD2  HIS  28           HD2      HIS  28  -9.115  12.913   6.888
  213    HE1  HIS  28           HE1      HIS  28  -5.379  14.089   5.311
  214    H    ALA  29           HN       ALA  29  -7.322   7.733   6.154
  215    HA   ALA  29           HA       ALA  29  -6.354   8.015   3.603
  216   1HB   ALA  29           HB3      ALA  29  -7.501   5.600   4.998
  217   2HB   ALA  29           HB2      ALA  29  -6.830   5.474   3.371
  218   3HB   ALA  29           HB1      ALA  29  -5.808   6.004   4.708
  219    H    VAL  30           HN       VAL  30  -7.146   7.918   1.508
  220    HA   VAL  30           HA       VAL  30 -10.104   8.034   1.240
  221    HB   VAL  30           HB       VAL  30  -8.912   9.883   0.218
  222   1HG1  VAL  30          HG12      VAL  30  -7.310   7.677  -1.097
  223   2HG1  VAL  30          HG11      VAL  30  -7.291   9.342  -1.675
  224   3HG1  VAL  30          HG13      VAL  30  -6.715   8.967  -0.052
  225   1HG2  VAL  30          HG21      VAL  30 -10.862   8.887  -1.016
  226   2HG2  VAL  30          HG23      VAL  30  -9.703   9.688  -2.077
  227   3HG2  VAL  30          HG22      VAL  30  -9.721   7.929  -1.959
  228    H    VAL  31           HN       VAL  31 -11.023   6.915  -0.741
  229    HA   VAL  31           HA       VAL  31  -9.492   4.628  -1.767
  230    HB   VAL  31           HB       VAL  31 -10.236   3.526   0.185
  231   1HG1  VAL  31          HG13      VAL  31 -12.489   5.404  -0.078
  232   2HG1  VAL  31          HG12      VAL  31 -12.956   3.796   0.474
  233   3HG1  VAL  31          HG11      VAL  31 -11.757   4.723   1.375
  234   1HG2  VAL  31          HG23      VAL  31 -10.804   2.272  -1.868
  235   2HG2  VAL  31          HG22      VAL  31 -11.980   1.960  -0.592
  236   3HG2  VAL  31          HG21      VAL  31 -12.382   3.059  -1.911
  237    H    GLN  32           HN       GLN  32 -10.786   3.446  -3.438
  238    HA   GLN  32           HA       GLN  32 -13.305   4.453  -4.373
  239   1HB   GLN  32           HB2      GLN  32 -11.916   6.440  -4.910
  240   2HB   GLN  32           HB1      GLN  32 -10.875   5.423  -5.907
  241   1HG   GLN  32           HG2      GLN  32 -13.757   5.184  -6.499
  242   2HG   GLN  32           HG1      GLN  32 -13.063   6.767  -6.853
  243   1HE2  GLN  32          HE22      GLN  32 -10.666   5.328  -9.227
  244   2HE2  GLN  32          HE21      GLN  32 -10.678   6.434  -7.939
  245    H    HIS  33           HN       HIS  33 -14.118   3.093  -5.974
  246    HA   HIS  33           HA       HIS  33 -12.245   1.264  -7.366
  247   1HB   HIS  33           HB2      HIS  33 -14.163  -0.511  -6.764
  248   2HB   HIS  33           HB1      HIS  33 -12.763  -0.267  -5.725
  249    HD1  HIS  33           HD1      HIS  33 -13.125   1.094  -3.528
  250    HD2  HIS  33           HD2      HIS  33 -16.617   0.461  -5.715
  251    HE1  HIS  33           HE1      HIS  33 -15.048   1.719  -2.003
  252    H    HIS  34           HN       HIS  34 -13.342   0.163  -9.214
  253    HA   HIS  34           HA       HIS  34 -16.008   1.118  -9.952
  254   1HB   HIS  34           HB2      HIS  34 -13.581   2.416 -10.936
  255   2HB   HIS  34           HB1      HIS  34 -14.607   1.817 -12.237
  256    HD1  HIS  34           HD1      HIS  34 -14.142   4.814 -10.567
  257    HD2  HIS  34           HD2      HIS  34 -17.565   2.535 -11.252
  258    HE1  HIS  34           HE1      HIS  34 -16.112   6.379 -10.287
  259    HA   PRO  35           HA       PRO  35 -14.534  -1.905 -13.279
  260   1HB   PRO  35           HB2      PRO  35 -11.874  -2.851 -12.819
  261   2HB   PRO  35           HB1      PRO  35 -12.456  -1.894 -14.188
  262   1HG   PRO  35           HG2      PRO  35 -10.771  -1.031 -12.002
  263   2HG   PRO  35           HG1      PRO  35 -11.300  -0.098 -13.409
  264   1HD   PRO  35           HD2      PRO  35 -12.197   0.167 -10.695
  265   2HD   PRO  35           HD1      PRO  35 -12.753   1.065 -12.118
  266    H    ALA  36           HN       ALA  36 -12.530  -2.579 -10.382
  267    HA   ALA  36           HA       ALA  36 -14.356  -4.454  -9.238
  268   1HB   ALA  36           HB2      ALA  36 -13.025  -5.511 -11.456
  269   2HB   ALA  36           HB1      ALA  36 -12.112  -6.121 -10.075
  270   3HB   ALA  36           HB3      ALA  36 -13.844  -6.436 -10.197
  271    H    MET  37           HN       MET  37 -10.822  -4.141  -9.739
  272    HA   MET  37           HA       MET  37 -10.196  -4.745  -6.983
  273   1HB   MET  37           HB2      MET  37  -7.939  -4.085  -7.548
  274   2HB   MET  37           HB1      MET  37  -8.598  -4.946  -8.940
  275   1HG   MET  37           HG2      MET  37  -9.367  -2.326  -9.409
  276   2HG   MET  37           HG1      MET  37  -7.757  -2.149  -8.712
  277   1HE   MET  37           HE2      MET  37  -5.809  -2.711  -9.445
  278   2HE   MET  37           HE1      MET  37  -5.814  -4.442  -9.774
  279   3HE   MET  37           HE3      MET  37  -5.308  -3.301 -11.029
  280    H    ILE  38           HN       ILE  38  -9.324  -3.134  -5.409
  281    HA   ILE  38           HA       ILE  38 -10.653  -0.487  -5.823
  282    HB   ILE  38           HB       ILE  38 -10.489  -0.360  -3.280
  283   1HG1  ILE  38          HG12      ILE  38  -8.784  -2.358  -3.348
  284   2HG1  ILE  38          HG11      ILE  38  -9.947  -2.251  -2.030
  285   1HG2  ILE  38          HG22      ILE  38 -12.225  -2.126  -4.929
  286   2HG2  ILE  38          HG21      ILE  38 -12.338  -2.328  -3.181
  287   3HG2  ILE  38          HG23      ILE  38 -12.664  -0.755  -3.910
  288   1HD1  ILE  38          HD13      ILE  38 -11.009  -3.686  -4.358
  289   2HD1  ILE  38          HD12      ILE  38  -9.579  -4.456  -3.674
  290   3HD1  ILE  38          HD11      ILE  38 -10.991  -4.161  -2.660
  291    H    ARG  39           HN       ARG  39  -9.289   1.174  -6.202
  292    HA   ARG  39           HA       ARG  39  -6.414   0.857  -5.756
  293   1HB   ARG  39           HB2      ARG  39  -7.793   3.398  -6.621
  294   2HB   ARG  39           HB1      ARG  39  -6.155   2.859  -6.993
  295   1HG   ARG  39           HG2      ARG  39  -7.645   0.785  -7.986
  296   2HG   ARG  39           HG1      ARG  39  -8.702   2.161  -8.302
  297   1HD   ARG  39           HD2      ARG  39  -5.988   2.864  -8.941
  298   2HD   ARG  39           HD1      ARG  39  -6.413   1.372  -9.775
  299    HE   ARG  39           HE       ARG  39  -7.268   3.957 -10.540
  300   1HH1  ARG  39          HH21      ARG  39  -8.650   0.843  -9.888
  301   2HH1  ARG  39          HH22      ARG  39 -10.122   1.195 -10.724
  302   1HH2  ARG  39          HH11      ARG  39  -9.169   4.392 -11.646
  303   2HH2  ARG  39          HH12      ARG  39 -10.411   3.187 -11.726
  304    H    ILE  40           HN       ILE  40  -5.304   3.000  -4.819
  305    HA   ILE  40           HA       ILE  40  -6.779   4.116  -2.541
  306    HB   ILE  40           HB       ILE  40  -4.145   2.842  -1.931
  307   1HG1  ILE  40          HG12      ILE  40  -6.790   1.374  -1.752
  308   2HG1  ILE  40          HG11      ILE  40  -5.618   1.117  -3.044
  309   1HG2  ILE  40          HG23      ILE  40  -6.475   3.964  -0.494
  310   2HG2  ILE  40          HG22      ILE  40  -5.811   2.491   0.212
  311   3HG2  ILE  40          HG21      ILE  40  -4.780   3.904  -0.011
  312   1HD1  ILE  40          HD11      ILE  40  -4.225   1.015  -0.550
  313   2HD1  ILE  40          HD13      ILE  40  -5.632  -0.043  -0.440
  314   3HD1  ILE  40          HD12      ILE  40  -4.451  -0.278  -1.728
  315    H    GLU  41           HN       GLU  41  -4.841   5.452  -1.192
  316    HA   GLU  41           HA       GLU  41  -2.730   6.500  -2.857
  317   1HB   GLU  41           HB2      GLU  41  -5.338   7.586  -3.283
  318   2HB   GLU  41           HB1      GLU  41  -4.350   8.817  -2.500
  319   1HG   GLU  41           HG2      GLU  41  -2.701   7.580  -4.447
  320   2HG   GLU  41           HG1      GLU  41  -4.249   7.901  -5.228
  321    H    ALA  42           HN       ALA  42  -1.540   8.221  -1.830
  322    HA   ALA  42           HA       ALA  42  -2.193   8.619   1.055
  323   1HB   ALA  42           HB3      ALA  42   0.077   7.251  -0.092
  324   2HB   ALA  42           HB2      ALA  42   0.625   8.700   0.752
  325   3HB   ALA  42           HB1      ALA  42  -0.322   7.485   1.610
  326    H    GLU  43           HN       GLU  43  -0.358  10.428   1.794
  327    HA   GLU  43           HA       GLU  43  -0.079  12.501  -0.295
  328   1HB   GLU  43           HB2      GLU  43  -1.165  14.166   1.356
  329   2HB   GLU  43           HB1      GLU  43  -2.236  13.117   0.425
  330   1HG   GLU  43           HG2      GLU  43  -2.395  11.559   2.311
  331   2HG   GLU  43           HG1      GLU  43  -1.274  12.552   3.245
  332    H    LYS  44           HN       LYS  44   2.226  11.675   0.428
  333    HA   LYS  44           HA       LYS  44   3.525  13.674   1.927
  334   1HB   LYS  44           HB2      LYS  44   2.018  12.130   3.646
  335   2HB   LYS  44           HB1      LYS  44   3.593  11.354   3.740
  336   1HG   LYS  44           HG2      LYS  44   4.083  12.985   5.244
  337   2HG   LYS  44           HG1      LYS  44   4.273  14.017   3.825
  338   1HD   LYS  44           HD2      LYS  44   2.080  14.894   4.028
  339   2HD   LYS  44           HD1      LYS  44   1.581  13.609   5.128
  340   1HE   LYS  44           HE2      LYS  44   2.185  15.988   6.085
  341   2HE   LYS  44           HE1      LYS  44   2.709  14.539   6.943
  342   1HZ   LYS  44           HZ2      LYS  44   4.378  15.905   4.911
  343   2HZ   LYS  44           HZ1      LYS  44   4.461  16.268   6.568
  344   3HZ   LYS  44           HZ3      LYS  44   4.859  14.713   6.021
  345    H    ARG  45           HN       ARG  45   5.309  11.623   3.315
  346    HA   ARG  45           HA       ARG  45   6.514  10.475   0.844
  347   1HB   ARG  45           HB2      ARG  45   7.964  11.710   3.205
  348   2HB   ARG  45           HB1      ARG  45   8.741  10.951   1.815
  349   1HG   ARG  45           HG2      ARG  45   8.758  13.072   0.980
  350   2HG   ARG  45           HG1      ARG  45   7.083  12.711   0.561
  351   1HD   ARG  45           HD2      ARG  45   6.244  13.835   2.471
  352   2HD   ARG  45           HD1      ARG  45   7.824  13.853   3.255
  353    HE   ARG  45           HE       ARG  45   8.212  15.317   0.930
  354   1HH1  ARG  45          HH21      ARG  45   6.031  15.382   3.606
  355   2HH1  ARG  45          HH22      ARG  45   5.785  17.094   3.528
  356   1HH2  ARG  45          HH11      ARG  45   7.896  17.552   0.818
  357   2HH2  ARG  45          HH12      ARG  45   6.837  18.321   1.953
  358    H    LEU  46           HN       LEU  46   7.740   8.485   1.198
  359    HA   LEU  46           HA       LEU  46   7.368   7.233   3.827
  360   1HB   LEU  46           HB2      LEU  46   6.680   5.388   1.667
  361   2HB   LEU  46           HB1      LEU  46   5.857   5.673   3.199
  362    HG   LEU  46           HG       LEU  46   5.675   7.672   0.932
  363   1HD1  LEU  46          HD13      LEU  46   4.204   5.092   1.303
  364   2HD1  LEU  46          HD12      LEU  46   3.343   6.489   0.656
  365   3HD1  LEU  46          HD11      LEU  46   4.761   5.862  -0.183
  366   1HD2  LEU  46          HD23      LEU  46   4.706   7.477   3.612
  367   2HD2  LEU  46          HD22      LEU  46   4.469   8.781   2.448
  368   3HD2  LEU  46          HD21      LEU  46   3.332   7.435   2.507
  369    H    GLU  47           HN       GLU  47   9.037   5.923   4.379
  370    HA   GLU  47           HA       GLU  47  10.851   4.764   2.331
  371   1HB   GLU  47           HB2      GLU  47  12.776   5.719   3.833
  372   2HB   GLU  47           HB1      GLU  47  12.077   6.731   2.569
  373   1HG   GLU  47           HG2      GLU  47  10.818   6.788   5.284
  374   2HG   GLU  47           HG1      GLU  47  12.342   7.645   5.053
  375    H    ILE  48           HN       ILE  48  11.596   2.783   3.096
  376    HA   ILE  48           HA       ILE  48  11.498   2.305   6.039
  377    HB   ILE  48           HB       ILE  48  10.495   0.281   4.031
  378   1HG1  ILE  48          HG12      ILE  48   8.447   1.377   5.764
  379   2HG1  ILE  48          HG11      ILE  48   9.176   2.656   4.797
  380   1HG2  ILE  48          HG21      ILE  48  11.369  -0.452   6.289
  381   2HG2  ILE  48          HG23      ILE  48  10.061   0.479   7.018
  382   3HG2  ILE  48          HG22      ILE  48   9.690  -0.890   5.970
  383   1HD1  ILE  48          HD11      ILE  48   8.908   0.682   2.929
  384   2HD1  ILE  48          HD13      ILE  48   7.501   0.380   3.948
  385   3HD1  ILE  48          HD12      ILE  48   7.720   1.959   3.193
  386    H    ARG  49           HN       ARG  49  12.972   0.637   6.728
  387    HA   ARG  49           HA       ARG  49  15.468   0.576   5.456
  388   1HB   ARG  49           HB2      ARG  49  14.578  -0.399   7.802
  389   2HB   ARG  49           HB1      ARG  49  14.648  -1.907   6.889
  390   1HG   ARG  49           HG2      ARG  49  16.901  -1.947   6.970
  391   2HG   ARG  49           HG1      ARG  49  17.011  -0.274   6.419
  392   1HD   ARG  49           HD2      ARG  49  16.092   0.080   8.966
  393   2HD   ARG  49           HD1      ARG  49  17.088  -1.362   9.167
  394    HE   ARG  49           HE       ARG  49  18.700   0.355   7.709
  395   1HH1  ARG  49          HH21      ARG  49  16.888   0.523  10.646
  396   2HH1  ARG  49          HH22      ARG  49  17.971   1.643  11.400
  397   1HH2  ARG  49          HH11      ARG  49  20.118   1.813   8.684
  398   2HH2  ARG  49          HH12      ARG  49  19.799   2.373  10.292
  399    H    ARG  50           HN       ARG  50  16.456  -0.918   3.998
  400    HA   ARG  50           HA       ARG  50  14.526  -2.274   2.224
  401   1HB   ARG  50           HB2      ARG  50  16.211  -0.996   1.089
  402   2HB   ARG  50           HB1      ARG  50  17.501  -1.750   2.028
  403   1HG   ARG  50           HG2      ARG  50  15.783  -3.672   0.606
  404   2HG   ARG  50           HG1      ARG  50  16.683  -2.594  -0.460
  405   1HD   ARG  50           HD2      ARG  50  18.539  -3.317   1.484
  406   2HD   ARG  50           HD1      ARG  50  17.650  -4.808   1.184
  407    HE   ARG  50           HE       ARG  50  19.628  -3.739  -0.525
  408   1HH1  ARG  50          HH21      ARG  50  16.366  -4.890  -0.720
  409   2HH1  ARG  50          HH22      ARG  50  16.418  -5.094  -2.436
  410   1HH2  ARG  50          HH11      ARG  50  19.699  -4.035  -2.747
  411   2HH2  ARG  50          HH12      ARG  50  18.298  -4.623  -3.579
  412    H    GLU  51           HN       GLU  51  17.642  -3.223   3.723
  413    HA   GLU  51           HA       GLU  51  17.397  -5.992   3.287
  414   1HB   GLU  51           HB2      GLU  51  19.464  -4.962   4.106
  415   2HB   GLU  51           HB1      GLU  51  18.675  -4.558   5.629
  416   1HG   GLU  51           HG2      GLU  51  18.163  -7.127   5.738
  417   2HG   GLU  51           HG1      GLU  51  19.492  -7.254   4.585
  418    H    THR  52           HN       THR  52  16.245  -4.070   6.069
  419    HA   THR  52           HA       THR  52  15.163  -6.342   7.467
  420    HB   THR  52           HB       THR  52  13.814  -3.766   7.897
  421    HG1  THR  52           HG1      THR  52  15.605  -2.673   8.527
  422   1HG2  THR  52          HG23      THR  52  14.342  -6.047   9.342
  423   2HG2  THR  52          HG22      THR  52  15.531  -4.916   9.986
  424   3HG2  THR  52          HG21      THR  52  13.815  -4.515  10.037
  425    H    VAL  53           HN       VAL  53  13.610  -3.822   5.437
  426    HA   VAL  53           HA       VAL  53  10.989  -4.889   5.534
  427    HB   VAL  53           HB       VAL  53  12.480  -3.330   3.413
  428   1HG1  VAL  53          HG11      VAL  53   9.849  -4.709   3.237
  429   2HG1  VAL  53          HG13      VAL  53   9.900  -3.044   2.657
  430   3HG1  VAL  53          HG12      VAL  53  10.970  -4.256   1.953
  431   1HG2  VAL  53          HG22      VAL  53  11.512  -2.477   5.743
  432   2HG2  VAL  53          HG21      VAL  53  11.386  -1.487   4.289
  433   3HG2  VAL  53          HG23      VAL  53  10.002  -2.435   4.832
  434    H    GLU  54           HN       GLU  54  13.853  -6.047   4.004
  435    HA   GLU  54           HA       GLU  54  12.525  -7.758   2.060
  436   1HB   GLU  54           HB2      GLU  54  14.734  -7.317   1.440
  437   2HB   GLU  54           HB1      GLU  54  15.328  -7.431   3.093
  438   1HG   GLU  54           HG2      GLU  54  15.660  -9.671   2.948
  439   2HG   GLU  54           HG1      GLU  54  14.152  -9.929   2.070
  440    H    GLU  55           HN       GLU  55  13.847  -8.133   5.338
  441    HA   GLU  55           HA       GLU  55  13.347 -10.973   5.505
  442   1HB   GLU  55           HB2      GLU  55  14.891  -9.887   7.060
  443   2HB   GLU  55           HB1      GLU  55  13.586  -8.878   7.687
  444   1HG   GLU  55           HG2      GLU  55  12.628 -11.518   7.860
  445   2HG   GLU  55           HG1      GLU  55  14.299 -11.590   8.420
  446    H    ASN  56           HN       ASN  56  11.565  -8.194   6.920
  447    HA   ASN  56           HA       ASN  56   9.350  -9.662   7.876
  448   1HB   ASN  56           HB2      ASN  56  10.040  -7.020   7.859
  449   2HB   ASN  56           HB1      ASN  56   8.715  -7.026   6.695
  450   1HD2  ASN  56          HD22      ASN  56   6.458  -8.482   9.277
  451   2HD2  ASN  56          HD21      ASN  56   6.979  -8.939   7.728
  452    H    LEU  57           HN       LEU  57  10.158  -8.614   4.628
  453    HA   LEU  57           HA       LEU  57   7.580  -8.962   3.441
  454   1HB   LEU  57           HB2      LEU  57   9.405  -7.795   2.281
  455   2HB   LEU  57           HB1      LEU  57  10.329  -9.297   2.206
  456    HG   LEU  57           HG       LEU  57   8.121 -10.216   1.068
  457   1HD1  LEU  57          HD12      LEU  57   7.530  -7.458   1.384
  458   2HD1  LEU  57          HD11      LEU  57   7.800  -7.727  -0.339
  459   3HD1  LEU  57          HD13      LEU  57   6.583  -8.671   0.520
  460   1HD2  LEU  57          HD22      LEU  57  10.511  -9.839   0.129
  461   2HD2  LEU  57          HD21      LEU  57   9.180  -9.934  -1.024
  462   3HD2  LEU  57          HD23      LEU  57   9.848  -8.364  -0.574
  463    H    GLY  58           HN       GLY  58  10.396 -11.182   3.443
  464   1HA   GLY  58           HA2      GLY  58   8.680 -13.389   2.536
  465   2HA   GLY  58           HA1      GLY  58  10.413 -13.485   2.851
  466    H    ARG  59           HN       ARG  59   8.858 -11.952   5.413
  467    HA   ARG  59           HA       ARG  59   9.061 -14.447   7.021
  468   1HB   ARG  59           HB2      ARG  59  10.309 -12.629   7.961
  469   2HB   ARG  59           HB1      ARG  59   8.953 -11.517   7.773
  470   1HG   ARG  59           HG2      ARG  59   7.668 -12.680   9.447
  471   2HG   ARG  59           HG1      ARG  59   8.846 -13.990   9.518
  472   1HD   ARG  59           HD2      ARG  59  10.344 -12.761  10.764
  473   2HD   ARG  59           HD1      ARG  59   9.852 -11.231  10.039
  474    HE   ARG  59           HE       ARG  59   7.639 -12.020  11.517
  475   1HH1  ARG  59          HH21      ARG  59  11.008 -11.539  12.106
  476   2HH1  ARG  59          HH22      ARG  59  10.783 -11.081  13.761
  477   1HH2  ARG  59          HH11      ARG  59   7.334 -11.423  13.668
  478   2HH2  ARG  59          HH12      ARG  59   8.705 -11.015  14.645
  479    H    ALA  60           HN       ALA  60   6.992 -11.667   7.733
  480    HA   ALA  60           HA       ALA  60   4.716 -13.549   8.027
  481   1HB   ALA  60           HB3      ALA  60   5.589 -11.189   9.404
  482   2HB   ALA  60           HB2      ALA  60   3.979 -10.895   8.745
  483   3HB   ALA  60           HB1      ALA  60   4.256 -12.268   9.817
  484    H    TRP  61           HN       TRP  61   5.871 -11.005   5.973
  485    HA   TRP  61           HA       TRP  61   3.212 -10.583   4.755
  486   1HB   TRP  61           HB2      TRP  61   4.927  -8.724   5.104
  487   2HB   TRP  61           HB1      TRP  61   5.863  -9.478   3.818
  488    HD1  TRP  61           HD1      TRP  61   2.261  -9.919   3.196
  489    HE1  TRP  61           HE1      TRP  61   1.435  -8.255   1.408
  490    HE3  TRP  61           HE3      TRP  61   6.280  -6.770   2.992
  491    HZ2  TRP  61           HZ2      TRP  61   2.355  -5.902   0.070
  492    HZ3  TRP  61           HZ3      TRP  61   6.276  -4.827   1.453
  493    HH2  TRP  61           HH2      TRP  61   4.320  -4.390  -0.007
  494    H    ASP  62           HN       ASP  62   4.703 -13.205   4.643
  495    HA   ASP  62           HA       ASP  62   5.425 -13.450   1.800
  496   1HB   ASP  62           HB2      ASP  62   6.708 -14.721   3.461
  497   2HB   ASP  62           HB1      ASP  62   5.235 -15.527   4.001
  498    H    VAL  63           HN       VAL  63   2.789 -12.602   2.109
  499    HA   VAL  63           HA       VAL  63   1.105 -15.019   1.697
  500    HB   VAL  63           HB       VAL  63   0.175 -12.152   1.729
  501   1HG1  VAL  63          HG12      VAL  63  -1.033 -14.828   1.702
  502   2HG1  VAL  63          HG11      VAL  63  -1.688 -13.784   2.963
  503   3HG1  VAL  63          HG13      VAL  63  -1.746 -13.272   1.276
  504   1HG2  VAL  63          HG23      VAL  63   0.703 -14.005   4.070
  505   2HG2  VAL  63          HG22      VAL  63   1.441 -12.431   3.778
  506   3HG2  VAL  63          HG21      VAL  63  -0.272 -12.541   4.182
  507    H    GLN  64           HN       GLN  64   3.081 -13.349  -0.189
  508    HA   GLN  64           HA       GLN  64   1.841 -12.202  -2.344
  509   1HB   GLN  64           HB2      GLN  64   3.946 -14.364  -2.626
  510   2HB   GLN  64           HB1      GLN  64   3.619 -13.054  -3.762
  511   1HG   GLN  64           HG2      GLN  64   4.769 -12.850  -0.973
  512   2HG   GLN  64           HG1      GLN  64   5.504 -12.334  -2.490
  513   1HE2  GLN  64          HE22      GLN  64   2.803  -9.903  -0.623
  514   2HE2  GLN  64          HE21      GLN  64   3.065 -11.483  -0.062
  515    H    GLU  65           HN       GLU  65   1.630 -15.582  -1.424
  516    HA   GLU  65           HA       GLU  65   0.629 -16.670  -3.848
  517   1HB   GLU  65           HB2      GLU  65   1.255 -17.919  -1.703
  518   2HB   GLU  65           HB1      GLU  65  -0.338 -17.468  -1.095
  519   1HG   GLU  65           HG2      GLU  65  -1.459 -18.783  -2.656
  520   2HG   GLU  65           HG1      GLU  65  -0.115 -18.753  -3.798
  521    H    MET  66           HN       MET  66  -1.235 -15.427  -1.045
  522    HA   MET  66           HA       MET  66  -3.748 -15.508  -2.493
  523   1HB   MET  66           HB2      MET  66  -2.842 -14.875   0.180
  524   2HB   MET  66           HB1      MET  66  -3.958 -13.636  -0.393
  525   1HG   MET  66           HG2      MET  66  -5.030 -16.136  -1.204
  526   2HG   MET  66           HG1      MET  66  -4.552 -16.311   0.485
  527   1HE   MET  66           HE3      MET  66  -4.909 -14.916   2.182
  528   2HE   MET  66           HE2      MET  66  -5.275 -13.221   1.873
  529   3HE   MET  66           HE1      MET  66  -6.508 -14.268   2.573
  530    H    LEU  67           HN       LEU  67  -1.089 -13.437  -2.631
  531    HA   LEU  67           HA       LEU  67  -2.180 -10.864  -2.912
  532   1HB   LEU  67           HB2      LEU  67   0.260 -11.447  -2.957
  533   2HB   LEU  67           HB1      LEU  67   0.045 -12.014  -4.613
  534    HG   LEU  67           HG       LEU  67  -1.026  -9.657  -5.003
  535   1HD1  LEU  67          HD13      LEU  67  -0.725  -9.342  -2.371
  536   2HD1  LEU  67          HD12      LEU  67   0.877  -8.795  -2.865
  537   3HD1  LEU  67          HD11      LEU  67  -0.561  -7.980  -3.479
  538   1HD2  LEU  67          HD21      LEU  67   1.387 -10.726  -5.579
  539   2HD2  LEU  67          HD23      LEU  67   0.962  -9.065  -5.988
  540   3HD2  LEU  67          HD22      LEU  67   1.902  -9.401  -4.534
  541    H    VAL  68           HN       VAL  68  -2.692 -13.608  -4.928
  542    HA   VAL  68           HA       VAL  68  -3.029 -12.700  -7.495
  543    HB   VAL  68           HB       VAL  68  -5.194 -14.244  -6.051
  544   1HG1  VAL  68          HG12      VAL  68  -5.018 -13.372  -8.672
  545   2HG1  VAL  68          HG11      VAL  68  -4.373 -15.011  -8.762
  546   3HG1  VAL  68          HG13      VAL  68  -5.991 -14.735  -8.116
  547   1HG2  VAL  68          HG22      VAL  68  -2.385 -14.895  -6.603
  548   2HG2  VAL  68          HG21      VAL  68  -3.537 -15.710  -5.545
  549   3HG2  VAL  68          HG23      VAL  68  -3.513 -16.075  -7.270
  550    H    ASP  69           HN       ASP  69  -5.262 -12.050  -4.794
  551    HA   ASP  69           HA       ASP  69  -6.997 -10.391  -6.484
  552   1HB   ASP  69           HB2      ASP  69  -6.995 -10.503  -3.462
  553   2HB   ASP  69           HB1      ASP  69  -8.325 -10.100  -4.540
  554    H    VAL  70           HN       VAL  70  -5.498  -9.515  -3.395
  555    HA   VAL  70           HA       VAL  70  -5.482  -6.788  -3.575
  556    HB   VAL  70           HB       VAL  70  -2.992  -8.041  -2.476
  557   1HG1  VAL  70          HG13      VAL  70  -4.864  -5.789  -1.817
  558   2HG1  VAL  70          HG12      VAL  70  -3.977  -6.550  -0.502
  559   3HG1  VAL  70          HG11      VAL  70  -3.100  -5.801  -1.829
  560   1HG2  VAL  70          HG21      VAL  70  -5.822  -8.593  -1.631
  561   2HG2  VAL  70          HG23      VAL  70  -4.462  -9.710  -1.746
  562   3HG2  VAL  70          HG22      VAL  70  -4.537  -8.545  -0.423
  563    H    ILE  71           HN       ILE  71  -3.011  -5.636  -3.578
  564    HA   ILE  71           HA       ILE  71  -1.017  -6.080  -5.348
  565    HB   ILE  71           HB       ILE  71  -3.568  -5.523  -6.811
  566   1HG1  ILE  71          HG12      ILE  71  -1.858  -7.593  -6.759
  567   2HG1  ILE  71          HG11      ILE  71  -2.821  -7.208  -8.182
  568   1HG2  ILE  71          HG23      ILE  71  -2.290  -3.434  -7.283
  569   2HG2  ILE  71          HG22      ILE  71  -0.961  -4.410  -7.875
  570   3HG2  ILE  71          HG21      ILE  71  -2.513  -4.432  -8.704
  571   1HD1  ILE  71          HD13      ILE  71  -0.140  -5.901  -7.873
  572   2HD1  ILE  71          HD12      ILE  71  -0.198  -7.594  -8.362
  573   3HD1  ILE  71          HD11      ILE  71  -0.995  -6.365  -9.344
  574    H    THR  72           HN       THR  72  -0.666  -3.392  -6.428
  575    HA   THR  72           HA       THR  72  -1.628  -1.360  -4.688
  576    HB   THR  72           HB       THR  72   0.995  -1.193  -3.870
  577    HG1  THR  72           HG1      THR  72   1.306  -3.333  -4.660
  578   1HG2  THR  72          HG22      THR  72  -1.530  -1.386  -2.727
  579   2HG2  THR  72          HG21      THR  72  -0.638  -2.725  -2.005
  580   3HG2  THR  72          HG23      THR  72  -0.026  -1.078  -1.860
  581    H    ILE  73           HN       ILE  73   0.728   0.296  -4.776
  582    HA   ILE  73           HA       ILE  73   2.025   0.335  -7.335
  583    HB   ILE  73           HB       ILE  73  -0.126   2.459  -7.000
  584   1HG1  ILE  73          HG12      ILE  73  -1.086   0.292  -7.754
  585   2HG1  ILE  73          HG11      ILE  73  -1.107   1.481  -9.042
  586   1HG2  ILE  73          HG21      ILE  73   2.336   2.371  -8.464
  587   2HG2  ILE  73          HG23      ILE  73   1.012   2.275  -9.625
  588   3HG2  ILE  73          HG22      ILE  73   1.101   3.630  -8.501
  589   1HD1  ILE  73          HD13      ILE  73   1.116  -0.538  -8.703
  590   2HD1  ILE  73          HD12      ILE  73  -0.248  -0.748  -9.800
  591   3HD1  ILE  73          HD11      ILE  73   0.889   0.578 -10.048
  592    H    GLY  74           HN       GLY  74   1.648   3.515  -6.728
  593   1HA   GLY  74           HA2      GLY  74   2.614   4.157  -4.261
  594   2HA   GLY  74           HA1      GLY  74   4.053   3.609  -5.109
  595    H    GLY  75           HN       GLY  75   4.402   4.662  -7.242
  596   1HA   GLY  75           HA2      GLY  75   3.574   6.811  -8.519
  597   2HA   GLY  75           HA1      GLY  75   4.024   7.582  -6.994
  598    H    ASN  76           HN       ASN  76   6.266   5.902  -6.407
  599    HA   ASN  76           HA       ASN  76   8.148   5.720  -8.546
  600   1HB   ASN  76           HB2      ASN  76   7.699   8.362  -7.842
  601   2HB   ASN  76           HB1      ASN  76   9.132   7.942  -6.903
  602   1HD2  ASN  76          HD22      ASN  76  10.646   8.925 -10.054
  603   2HD2  ASN  76          HD21      ASN  76  10.061   9.599  -8.609
  604    H    VAL  77           HN       VAL  77  10.429   6.614  -6.819
  605    HA   VAL  77           HA       VAL  77  10.156   4.953  -4.402
  606    HB   VAL  77           HB       VAL  77  10.791   3.412  -6.332
  607   1HG1  VAL  77          HG13      VAL  77  12.388   5.252  -7.260
  608   2HG1  VAL  77          HG12      VAL  77  13.534   4.626  -6.074
  609   3HG1  VAL  77          HG11      VAL  77  12.906   3.568  -7.338
  610   1HG2  VAL  77          HG22      VAL  77  12.328   3.787  -3.792
  611   2HG2  VAL  77          HG21      VAL  77  11.263   2.465  -4.271
  612   3HG2  VAL  77          HG23      VAL  77  12.892   2.571  -4.938
  613    H    ASP  78           HN       ASP  78  10.758   6.646  -3.071
  614    HA   ASP  78           HA       ASP  78  13.354   7.981  -3.665
  615   1HB   ASP  78           HB2      ASP  78  11.432   9.125  -1.696
  616   2HB   ASP  78           HB1      ASP  78  12.500   9.943  -2.828
  617    H    GLU  79           HN       GLU  79  14.824   8.282  -1.929
  618    HA   GLU  79           HA       GLU  79  14.311   6.558   0.466
  619   1HB   GLU  79           HB2      GLU  79  16.725   6.140   0.544
  620   2HB   GLU  79           HB1      GLU  79  16.101   5.694  -1.045
  621   1HG   GLU  79           HG2      GLU  79  17.268   7.335  -2.099
  622   2HG   GLU  79           HG1      GLU  79  16.944   8.510  -0.825
  623    H    ASP  80           HN       ASP  80  15.548   7.342   2.448
  624    HA   ASP  80           HA       ASP  80  15.673  10.324   2.436
  625   1HB   ASP  80           HB2      ASP  80  15.226  10.048   4.941
  626   2HB   ASP  80           HB1      ASP  80  13.880   9.687   3.866
  627    H    ASP  81           HN       ASP  81  16.758   9.078   5.372
  628    HA   ASP  81           HA       ASP  81  19.563   9.571   4.549
  629   1HB   ASP  81           HB2      ASP  81  18.497  10.773   6.527
  630   2HB   ASP  81           HB1      ASP  81  18.502   9.217   7.357
  631    H    ASP  82           HN       ASP  82  17.543   7.119   6.189
  632    HA   ASP  82           HA       ASP  82  19.726   5.158   5.617
  633   1HB   ASP  82           HB2      ASP  82  18.381   5.798   8.188
  634   2HB   ASP  82           HB1      ASP  82  18.580   4.081   7.830
  635    H    ARG  83           HN       ARG  83  16.344   5.330   6.748
  636    HA   ARG  83           HA       ARG  83  15.509   2.840   5.682
  637   1HB   ARG  83           HB2      ARG  83  14.239   5.312   6.650
  638   2HB   ARG  83           HB1      ARG  83  13.278   4.427   5.473
  639   1HG   ARG  83           HG2      ARG  83  12.625   3.156   7.232
  640   2HG   ARG  83           HG1      ARG  83  14.220   2.413   7.105
  641   1HD   ARG  83           HD2      ARG  83  13.967   3.110   9.388
  642   2HD   ARG  83           HD1      ARG  83  15.075   4.254   8.628
  643    HE   ARG  83           HE       ARG  83  12.596   5.432   8.292
  644   1HH1  ARG  83          HH21      ARG  83  14.402   4.136  10.937
  645   2HH1  ARG  83          HH22      ARG  83  13.714   5.216  12.102
  646   1HH2  ARG  83          HH11      ARG  83  11.699   6.847   9.802
  647   2HH2  ARG  83          HH12      ARG  83  12.187   6.749  11.461
  648    H    PHE  84           HN       PHE  84  13.534   3.139   3.842
  649    HA   PHE  84           HA       PHE  84  13.920   4.950   1.730
  650   1HB   PHE  84           HB2      PHE  84  16.154   4.148   1.454
  651   2HB   PHE  84           HB1      PHE  84  15.631   2.469   1.527
  652    HD1  PHE  84           HD1      PHE  84  13.624   4.970  -0.254
  653    HD2  PHE  84           HD2      PHE  84  16.639   1.947  -0.664
  654    HE1  PHE  84           HE1      PHE  84  13.285   4.964  -2.708
  655    HE2  PHE  84           HE2      PHE  84  16.302   1.938  -3.118
  656    HZ   PHE  84           HZ       PHE  84  14.622   3.447  -4.142
  657    H    VAL  85           HN       VAL  85  12.048   4.792   0.702
  658    HA   VAL  85           HA       VAL  85  11.252   2.409  -0.587
  659    HB   VAL  85           HB       VAL  85  10.263   1.681   1.489
  660   1HG1  VAL  85          HG11      VAL  85   9.341   4.421   1.643
  661   2HG1  VAL  85          HG13      VAL  85   8.049   3.270   1.896
  662   3HG1  VAL  85          HG12      VAL  85   9.480   3.224   2.915
  663   1HG2  VAL  85          HG23      VAL  85   8.650   2.434  -0.875
  664   2HG2  VAL  85          HG22      VAL  85   8.930   0.846  -0.161
  665   3HG2  VAL  85          HG21      VAL  85   7.744   1.939   0.554
  666    H    LEU  86           HN       LEU  86   8.513   4.267   0.025
  667    HA   LEU  86           HA       LEU  86   9.238   5.946  -2.308
  668   1HB   LEU  86           HB2      LEU  86   7.893   4.248  -3.247
  669   2HB   LEU  86           HB1      LEU  86   6.763   4.285  -1.890
  670    HG   LEU  86           HG       LEU  86   6.107   6.582  -2.499
  671   1HD1  LEU  86          HD12      LEU  86   8.536   6.483  -3.923
  672   2HD1  LEU  86          HD11      LEU  86   7.275   6.631  -5.137
  673   3HD1  LEU  86          HD13      LEU  86   7.397   7.824  -3.855
  674   1HD2  LEU  86          HD23      LEU  86   5.903   4.360  -4.496
  675   2HD2  LEU  86          HD22      LEU  86   4.655   5.048  -3.457
  676   3HD2  LEU  86          HD21      LEU  86   5.216   5.940  -4.870
  677    H    GLU  87           HN       GLU  87   8.401   7.966  -2.365
  678    HA   GLU  87           HA       GLU  87   6.677   8.923  -0.148
  679   1HB   GLU  87           HB2      GLU  87   8.557  10.687  -1.698
  680   2HB   GLU  87           HB1      GLU  87   7.878  10.945  -0.110
  681   1HG   GLU  87           HG2      GLU  87   9.327   9.298   0.883
  682   2HG   GLU  87           HG1      GLU  87   9.867   8.750  -0.704
  683    H    TRP  88           HN       TRP  88   6.509  11.532  -1.590
  684    HA   TRP  88           HA       TRP  88   4.298  10.917  -3.321
  685   1HB   TRP  88           HB2      TRP  88   4.334  13.122  -2.401
  686   2HB   TRP  88           HB1      TRP  88   5.983  13.404  -2.959
  687    HD1  TRP  88           HD1      TRP  88   3.539  11.739  -5.319
  688    HE1  TRP  88           HE1      TRP  88   2.971  13.354  -7.245
  689    HE3  TRP  88           HE3      TRP  88   5.756  16.004  -3.585
  690    HZ2  TRP  88           HZ2      TRP  88   3.397  16.084  -7.958
  691    HZ3  TRP  88           HZ3      TRP  88   5.657  18.096  -4.911
  692    HH2  TRP  88           HH2      TRP  88   4.484  18.141  -7.094
  693    H    LYS  89           HN       LYS  89   6.883  12.891  -4.629
  694    HA   LYS  89           HA       LYS  89   7.866  12.804  -6.768
  695   1HB   LYS  89           HB2      LYS  89   8.465  10.248  -5.351
  696   2HB   LYS  89           HB1      LYS  89   8.885  10.343  -7.062
  697   1HG   LYS  89           HG2      LYS  89  10.800  11.102  -5.803
  698   2HG   LYS  89           HG1      LYS  89  10.071  12.515  -6.566
  699   1HD   LYS  89           HD2      LYS  89   8.717  12.697  -4.333
  700   2HD   LYS  89           HD1      LYS  89  10.002  11.682  -3.678
  701   1HE   LYS  89           HE2      LYS  89  11.660  13.299  -4.092
  702   2HE   LYS  89           HE1      LYS  89  10.663  14.153  -5.270
  703   1HZ   LYS  89           HZ3      LYS  89   9.119  14.381  -3.156
  704   2HZ   LYS  89           HZ2      LYS  89  10.613  14.270  -2.355
  705   3HZ   LYS  89           HZ1      LYS  89  10.347  15.500  -3.497
  706    H    ASN  90           HN       ASN  90   6.204  13.006  -8.282
  707    HA   ASN  90           HA       ASN  90   4.388  10.845  -8.915
  708   1HB   ASN  90           HB2      ASN  90   3.776  13.180  -9.358
  709   2HB   ASN  90           HB1      ASN  90   5.117  13.332 -10.494
  710   1HD2  ASN  90          HD22      ASN  90   2.500  10.506 -11.823
  711   2HD2  ASN  90          HD21      ASN  90   3.290  10.320 -10.332
   
  No H/Q in entry =         711
  Start of MODEL    9
    1   1H    MET   1           HT1      MET   1   1.029  12.490  11.455
    2   2H    MET   1           HT3      MET   1   1.066  11.630  12.917
    3   3H    MET   1           HT2      MET   1   1.964  11.077  11.585
    4    HA   MET   1           HA       MET   1   0.135  10.292  10.469
    5   1HB   MET   1           HB2      MET   1   0.455   9.578  13.162
    6   2HB   MET   1           HB1      MET   1  -1.281   9.821  12.963
    7   1HG   MET   1           HG2      MET   1  -0.819   8.443  10.712
    8   2HG   MET   1           HG1      MET   1   0.511   7.809  11.683
    9   1HE   MET   1           HE3      MET   1   0.287   5.753  12.679
   10   2HE   MET   1           HE2      MET   1  -1.217   4.858  12.888
   11   3HE   MET   1           HE1      MET   1  -0.741   5.405  11.282
   12    H    SER   2           HN       SER   2  -0.870  12.113   9.443
   13    HA   SER   2           HA       SER   2  -3.528  12.725  10.546
   14   1HB   SER   2           HB2      SER   2  -2.730  15.265   9.824
   15   2HB   SER   2           HB1      SER   2  -2.828  14.671  11.479
   16    HG   SER   2           HG       SER   2  -0.676  14.232  11.446
   17    H    SER   3           HN       SER   3  -1.169  13.661   8.023
   18    HA   SER   3           HA       SER   3  -3.284  13.092   6.003
   19   1HB   SER   3           HB2      SER   3  -1.661  15.262   5.078
   20   2HB   SER   3           HB1      SER   3  -3.398  15.244   5.367
   21    HG   SER   3           HG       SER   3  -2.748  16.675   6.824
   22    H    LEU   4           HN       LEU   4  -0.714  11.776   7.018
   23    HA   LEU   4           HA       LEU   4   0.557  11.550   4.331
   24   1HB   LEU   4           HB2      LEU   4   2.639  10.905   5.901
   25   2HB   LEU   4           HB1      LEU   4   2.324  12.564   5.401
   26    HG   LEU   4           HG       LEU   4   0.986  12.879   7.504
   27   1HD1  LEU   4          HD11      LEU   4   1.866  10.032   7.855
   28   2HD1  LEU   4          HD13      LEU   4   1.677  11.051   9.281
   29   3HD1  LEU   4          HD12      LEU   4   0.304  10.768   8.212
   30   1HD2  LEU   4          HD21      LEU   4   3.872  11.987   7.816
   31   2HD2  LEU   4          HD23      LEU   4   3.318  13.616   7.427
   32   3HD2  LEU   4          HD22      LEU   4   2.979  12.925   9.013
   33    H    VAL   5           HN       VAL   5   2.274   9.433   4.861
   34    HA   VAL   5           HA       VAL   5   0.675   7.279   6.114
   35    HB   VAL   5           HB       VAL   5   1.555   7.058   3.228
   36   1HG1  VAL   5          HG12      VAL   5   0.351   5.293   5.223
   37   2HG1  VAL   5          HG11      VAL   5  -0.581   5.365   3.727
   38   3HG1  VAL   5          HG13      VAL   5   1.118   4.894   3.686
   39   1HG2  VAL   5          HG22      VAL   5  -1.090   7.928   4.405
   40   2HG2  VAL   5          HG21      VAL   5  -0.106   8.771   3.207
   41   3HG2  VAL   5          HG23      VAL   5  -0.945   7.282   2.770
   42    H    TYR   6           HN       TYR   6   1.921   5.239   6.227
   43    HA   TYR   6           HA       TYR   6   4.764   5.341   5.486
   44   1HB   TYR   6           HB2      TYR   6   5.062   6.367   7.606
   45   2HB   TYR   6           HB1      TYR   6   3.791   5.396   8.347
   46    HD1  TYR   6           HD1      TYR   6   6.856   4.631   6.310
   47    HD2  TYR   6           HD2      TYR   6   4.627   3.881   9.904
   48    HE1  TYR   6           HE1      TYR   6   8.539   2.947   7.002
   49    HE2  TYR   6           HE2      TYR   6   6.312   2.197  10.597
   50    HH   TYR   6           HH       TYR   6   8.654   1.655  10.162
   51    H    ILE   7           HN       ILE   7   5.418   3.222   5.034
   52    HA   ILE   7           HA       ILE   7   4.102   0.948   6.316
   53    HB   ILE   7           HB       ILE   7   3.003   0.019   4.404
   54   1HG1  ILE   7          HG12      ILE   7   4.758   0.633   2.753
   55   2HG1  ILE   7          HG11      ILE   7   3.139   1.010   2.164
   56   1HG2  ILE   7          HG22      ILE   7   1.715   1.824   5.472
   57   2HG2  ILE   7          HG21      ILE   7   2.441   2.995   4.375
   58   3HG2  ILE   7          HG23      ILE   7   1.380   1.738   3.748
   59   1HD1  ILE   7          HD12      ILE   7   3.564   3.355   3.230
   60   2HD1  ILE   7          HD11      ILE   7   5.261   2.887   3.166
   61   3HD1  ILE   7          HD13      ILE   7   4.317   2.978   1.680
   62    H    ALA   8           HN       ALA   8   5.439  -0.835   6.213
   63    HA   ALA   8           HA       ALA   8   7.595  -0.751   4.150
   64   1HB   ALA   8           HB3      ALA   8   7.894  -1.560   7.063
   65   2HB   ALA   8           HB2      ALA   8   9.139  -1.749   5.834
   66   3HB   ALA   8           HB1      ALA   8   8.601  -0.140   6.303
   67    H    PHE   9           HN       PHE   9   8.501  -3.220   4.028
   68    HA   PHE   9           HA       PHE   9   6.590  -5.258   4.726
   69   1HB   PHE   9           HB2      PHE   9   6.606  -3.983   2.012
   70   2HB   PHE   9           HB1      PHE   9   6.273  -5.695   2.155
   71    HD1  PHE   9           HD2      PHE   9   4.829  -5.621   4.862
   72    HD2  PHE   9           HD1      PHE   9   4.467  -3.193   1.334
   73    HE1  PHE   9           HE2      PHE   9   2.488  -5.087   5.468
   74    HE2  PHE   9           HE1      PHE   9   2.124  -2.662   1.943
   75    HZ   PHE   9           HZ       PHE   9   1.135  -3.609   4.010
   76    H    GLN  10           HN       GLN  10   7.376  -7.362   4.050
   77    HA   GLN  10           HA       GLN  10  10.175  -7.331   3.031
   78   1HB   GLN  10           HB2      GLN  10   9.751  -8.017   5.512
   79   2HB   GLN  10           HB1      GLN  10   9.114  -9.509   4.822
   80   1HG   GLN  10           HG2      GLN  10  11.915  -8.400   4.621
   81   2HG   GLN  10           HG1      GLN  10  11.405  -9.974   5.222
   82   1HE2  GLN  10          HE22      GLN  10  11.639  -9.364   1.162
   83   2HE2  GLN  10          HE21      GLN  10  11.575  -8.032   2.202
   84    H    ASP  11           HN       ASP  11   9.586  -7.752   0.874
   85    HA   ASP  11           HA       ASP  11   7.674  -9.819   0.162
   86   1HB   ASP  11           HB2      ASP  11   9.559  -8.015  -1.298
   87   2HB   ASP  11           HB1      ASP  11   8.968  -9.444  -2.144
   88    H    ASN  12           HN       ASN  12   8.922 -11.268  -1.850
   89    HA   ASN  12           HA       ASN  12  10.704 -13.009  -0.245
   90   1HB   ASN  12           HB2      ASN  12   8.709 -13.985  -1.400
   91   2HB   ASN  12           HB1      ASN  12   9.428 -13.529  -2.944
   92   1HD2  ASN  12          HD22      ASN  12  10.778 -16.836  -2.815
   93   2HD2  ASN  12          HD21      ASN  12   9.550 -15.877  -3.487
   94    H    ASP  13           HN       ASP  13  11.199 -13.538  -3.533
   95    HA   ASP  13           HA       ASP  13  13.651 -11.830  -3.478
   96   1HB   ASP  13           HB2      ASP  13  14.759 -13.560  -4.829
   97   2HB   ASP  13           HB1      ASP  13  14.159 -14.262  -3.327
   98    H    ASN  14           HN       ASN  14  10.946 -13.086  -5.323
   99    HA   ASN  14           HA       ASN  14  11.717 -11.356  -7.631
  100   1HB   ASN  14           HB2      ASN  14   9.773 -12.621  -8.749
  101   2HB   ASN  14           HB1      ASN  14  11.224 -13.557  -8.391
  102   1HD2  ASN  14          HD22      ASN  14   7.730 -14.500  -6.569
  103   2HD2  ASN  14          HD21      ASN  14   7.828 -13.241  -7.703
  104    H    ALA  15           HN       ALA  15   9.175 -11.934  -5.245
  105    HA   ALA  15           HA       ALA  15   7.215 -10.157  -6.285
  106   1HB   ALA  15           HB1      ALA  15   7.376 -11.792  -4.088
  107   2HB   ALA  15           HB3      ALA  15   7.458 -10.192  -3.350
  108   3HB   ALA  15           HB2      ALA  15   6.085 -10.624  -4.368
  109    H    ARG  16           HN       ARG  16  10.016  -9.571  -4.217
  110    HA   ARG  16           HA       ARG  16   9.432  -6.838  -3.628
  111   1HB   ARG  16           HB2      ARG  16  11.697  -6.691  -2.902
  112   2HB   ARG  16           HB1      ARG  16  11.199  -8.349  -2.564
  113   1HG   ARG  16           HG2      ARG  16  12.231  -9.086  -4.685
  114   2HG   ARG  16           HG1      ARG  16  12.756  -7.432  -4.999
  115   1HD   ARG  16           HD2      ARG  16  13.579  -8.115  -2.360
  116   2HD   ARG  16           HD1      ARG  16  14.059  -9.438  -3.420
  117    HE   ARG  16           HE       ARG  16  15.377  -6.944  -3.252
  118   1HH1  ARG  16          HH21      ARG  16  14.029  -9.016  -5.682
  119   2HH1  ARG  16          HH22      ARG  16  14.899  -8.262  -6.971
  120   1HH2  ARG  16          HH11      ARG  16  16.523  -5.990  -4.925
  121   2HH2  ARG  16          HH12      ARG  16  16.314  -6.565  -6.545
  122    H    TYR  17           HN       TYR  17  11.044  -8.400  -6.364
  123    HA   TYR  17           HA       TYR  17  11.975  -5.969  -7.594
  124   1HB   TYR  17           HB2      TYR  17  12.330  -8.639  -8.100
  125   2HB   TYR  17           HB1      TYR  17  11.229  -8.182  -9.401
  126    HD1  TYR  17           HD2      TYR  17  12.046  -5.309  -9.745
  127    HD2  TYR  17           HD1      TYR  17  14.389  -8.878  -9.270
  128    HE1  TYR  17           HE2      TYR  17  13.923  -4.241 -10.963
  129    HE2  TYR  17           HE1      TYR  17  16.265  -7.810 -10.487
  130    HH   TYR  17           HH       TYR  17  15.920  -4.574 -11.917
  131    H    VAL  18           HN       VAL  18   8.968  -7.829  -7.810
  132    HA   VAL  18           HA       VAL  18   7.790  -6.426  -9.987
  133    HB   VAL  18           HB       VAL  18   6.508  -7.724  -7.563
  134   1HG1  VAL  18          HG12      VAL  18   5.378  -6.389  -9.995
  135   2HG1  VAL  18          HG11      VAL  18   4.567  -7.825  -9.371
  136   3HG1  VAL  18          HG13      VAL  18   4.764  -6.406  -8.342
  137   1HG2  VAL  18          HG23      VAL  18   7.903  -9.134  -9.160
  138   2HG2  VAL  18          HG22      VAL  18   6.219  -9.632  -8.997
  139   3HG2  VAL  18          HG21      VAL  18   6.736  -8.720 -10.416
  140    H    VAL  19           HN       VAL  19   7.423  -5.864  -6.466
  141    HA   VAL  19           HA       VAL  19   5.905  -3.451  -6.762
  142    HB   VAL  19           HB       VAL  19   7.655  -4.476  -4.511
  143   1HG1  VAL  19          HG12      VAL  19   5.960  -1.988  -4.745
  144   2HG1  VAL  19          HG11      VAL  19   6.289  -2.733  -3.180
  145   3HG1  VAL  19          HG13      VAL  19   7.620  -2.133  -4.168
  146   1HG2  VAL  19          HG21      VAL  19   4.696  -4.485  -5.127
  147   2HG2  VAL  19          HG23      VAL  19   5.736  -5.855  -4.738
  148   3HG2  VAL  19          HG22      VAL  19   5.293  -4.699  -3.481
  149    H    GLU  20           HN       GLU  20   9.303  -4.146  -7.013
  150    HA   GLU  20           HA       GLU  20  10.258  -1.463  -6.536
  151   1HB   GLU  20           HB2      GLU  20  11.783  -3.367  -6.395
  152   2HB   GLU  20           HB1      GLU  20  11.491  -3.755  -8.091
  153   1HG   GLU  20           HG2      GLU  20  12.545  -1.735  -8.830
  154   2HG   GLU  20           HG1      GLU  20  12.582  -1.080  -7.193
  155    H    ALA  21           HN       ALA  21   9.152  -3.201  -9.411
  156    HA   ALA  21           HA       ALA  21   9.944  -1.063 -11.229
  157   1HB   ALA  21           HB3      ALA  21   9.119  -3.731 -11.505
  158   2HB   ALA  21           HB2      ALA  21   7.829  -2.781 -12.242
  159   3HB   ALA  21           HB1      ALA  21   9.489  -2.606 -12.812
  160    H    ILE  22           HN       ILE  22   7.018  -1.954  -9.472
  161    HA   ILE  22           HA       ILE  22   5.301  -0.087 -10.873
  162    HB   ILE  22           HB       ILE  22   5.042  -1.391  -8.145
  163   1HG1  ILE  22          HG12      ILE  22   3.294  -2.132 -10.420
  164   2HG1  ILE  22          HG11      ILE  22   4.989  -2.588 -10.595
  165   1HG2  ILE  22          HG23      ILE  22   3.440   0.642  -9.534
  166   2HG2  ILE  22          HG22      ILE  22   2.506  -0.774  -9.052
  167   3HG2  ILE  22          HG21      ILE  22   3.402   0.145  -7.842
  168   1HD1  ILE  22          HD12      ILE  22   4.473  -3.288  -7.983
  169   2HD1  ILE  22          HD11      ILE  22   2.941  -3.657  -8.774
  170   3HD1  ILE  22          HD13      ILE  22   4.432  -4.401  -9.350
  171    H    ILE  23           HN       ILE  23   7.288   0.048  -7.943
  172    HA   ILE  23           HA       ILE  23   6.374   2.639  -7.086
  173    HB   ILE  23           HB       ILE  23   8.889   1.046  -6.542
  174   1HG1  ILE  23          HG12      ILE  23   6.566   1.862  -4.768
  175   2HG1  ILE  23          HG11      ILE  23   6.700   0.298  -5.574
  176   1HG2  ILE  23          HG23      ILE  23   8.069   3.763  -5.476
  177   2HG2  ILE  23          HG22      ILE  23   9.313   2.754  -4.739
  178   3HG2  ILE  23          HG21      ILE  23   9.536   3.374  -6.375
  179   1HD1  ILE  23          HD12      ILE  23   8.702   1.425  -3.594
  180   2HD1  ILE  23          HD11      ILE  23   7.511   0.173  -3.241
  181   3HD1  ILE  23          HD13      ILE  23   8.811  -0.145  -4.389
  182    H    GLN  24           HN       GLN  24   9.341   1.651  -8.860
  183    HA   GLN  24           HA       GLN  24  10.178   4.353  -9.365
  184   1HB   GLN  24           HB2      GLN  24  10.759   1.718 -10.746
  185   2HB   GLN  24           HB1      GLN  24  11.454   3.239 -11.309
  186   1HG   GLN  24           HG2      GLN  24  11.880   3.267  -8.547
  187   2HG   GLN  24           HG1      GLN  24  12.216   1.602  -9.025
  188   1HE2  GLN  24          HE22      GLN  24  14.484   4.568 -10.772
  189   2HE2  GLN  24          HE21      GLN  24  12.875   4.907 -10.350
  190    H    ASP  25           HN       ASP  25   7.880   2.202 -10.906
  191    HA   ASP  25           HA       ASP  25   7.539   3.367 -13.424
  192   1HB   ASP  25           HB2      ASP  25   6.133   1.524 -12.013
  193   2HB   ASP  25           HB1      ASP  25   5.041   2.901 -11.871
  194    H    ASN  26           HN       ASN  26   6.319   4.445 -10.266
  195    HA   ASN  26           HA       ASN  26   5.290   6.950 -11.439
  196   1HB   ASN  26           HB2      ASN  26   5.532   6.378  -8.488
  197   2HB   ASN  26           HB1      ASN  26   4.332   7.358  -9.327
  198   1HD2  ASN  26          HD22      ASN  26   3.770   3.333  -8.989
  199   2HD2  ASN  26          HD21      ASN  26   5.225   4.044  -8.481
  200    HA   PRO  27           HA       PRO  27   9.266   8.676 -10.574
  201   1HB   PRO  27           HB2      PRO  27   8.499  11.205 -11.703
  202   2HB   PRO  27           HB1      PRO  27   9.510   9.950 -12.432
  203   1HG   PRO  27           HG2      PRO  27   6.807  10.663 -13.130
  204   2HG   PRO  27           HG1      PRO  27   7.829   9.420 -13.865
  205   1HD   PRO  27           HD2      PRO  27   5.556   9.035 -12.150
  206   2HD   PRO  27           HD1      PRO  27   6.601   7.794 -12.865
  207    H    HIS  28           HN       HIS  28   7.555   8.646  -8.382
  208    HA   HIS  28           HA       HIS  28   8.217  11.221  -7.120
  209   1HB   HIS  28           HB2      HIS  28   5.873  11.262  -8.275
  210   2HB   HIS  28           HB1      HIS  28   5.383  10.264  -6.910
  211    HD1  HIS  28           HD1      HIS  28   4.786  13.468  -7.593
  212    HD2  HIS  28           HD2      HIS  28   7.157  11.851  -4.568
  213    HE1  HIS  28           HE1      HIS  28   4.951  15.238  -5.788
  214    H    ALA  29           HN       ALA  29   6.420   8.155  -6.719
  215    HA   ALA  29           HA       ALA  29   6.339   7.869  -3.989
  216   1HB   ALA  29           HB2      ALA  29   6.594   6.014  -6.246
  217   2HB   ALA  29           HB1      ALA  29   7.253   5.368  -4.743
  218   3HB   ALA  29           HB3      ALA  29   5.575   5.904  -4.811
  219    H    VAL  30           HN       VAL  30   7.781   7.432  -2.325
  220    HA   VAL  30           HA       VAL  30  10.654   7.760  -3.009
  221    HB   VAL  30           HB       VAL  30   9.531   7.685  -0.215
  222   1HG1  VAL  30          HG12      VAL  30  12.045   8.365  -1.537
  223   2HG1  VAL  30          HG11      VAL  30  11.469   9.669  -0.497
  224   3HG1  VAL  30          HG13      VAL  30  11.726   8.057   0.170
  225   1HG2  VAL  30          HG21      VAL  30   9.262   9.831  -2.298
  226   2HG2  VAL  30          HG23      VAL  30   8.107   9.323  -1.066
  227   3HG2  VAL  30          HG22      VAL  30   9.507  10.295  -0.614
  228    H    VAL  31           HN       VAL  31  12.219   6.364  -1.814
  229    HA   VAL  31           HA       VAL  31  11.194   3.826  -0.748
  230    HB   VAL  31           HB       VAL  31  13.180   3.333  -2.871
  231   1HG1  VAL  31          HG13      VAL  31  11.923   1.625  -1.496
  232   2HG1  VAL  31          HG12      VAL  31  10.457   2.112  -2.348
  233   3HG1  VAL  31          HG11      VAL  31  11.797   1.391  -3.239
  234   1HG2  VAL  31          HG23      VAL  31  11.695   5.131  -3.883
  235   2HG2  VAL  31          HG22      VAL  31  11.681   3.590  -4.742
  236   3HG2  VAL  31          HG21      VAL  31  10.340   4.021  -3.681
  237    H    GLN  32           HN       GLN  32  12.942   2.568   0.254
  238    HA   GLN  32           HA       GLN  32  15.662   3.547   0.281
  239   1HB   GLN  32           HB2      GLN  32  13.928   5.041   1.854
  240   2HB   GLN  32           HB1      GLN  32  14.637   3.903   3.000
  241   1HG   GLN  32           HG2      GLN  32  16.512   5.174   1.074
  242   2HG   GLN  32           HG1      GLN  32  15.841   6.221   2.326
  243   1HE2  GLN  32          HE22      GLN  32  18.217   5.014   4.615
  244   2HE2  GLN  32          HE21      GLN  32  17.397   6.345   3.956
  245    H    HIS  33           HN       HIS  33  15.859   1.214  -0.081
  246    HA   HIS  33           HA       HIS  33  15.479  -0.365   2.428
  247   1HB   HIS  33           HB2      HIS  33  15.515  -2.340   0.733
  248   2HB   HIS  33           HB1      HIS  33  14.043  -1.381   0.867
  249    HD1  HIS  33           HD1      HIS  33  13.848   0.632  -0.969
  250    HD2  HIS  33           HD2      HIS  33  16.591  -2.389  -1.821
  251    HE1  HIS  33           HE1      HIS  33  14.375   0.819  -3.439
  252    H    HIS  34           HN       HIS  34  17.088  -2.223   2.568
  253    HA   HIS  34           HA       HIS  34  19.567  -2.019   1.072
  254   1HB   HIS  34           HB2      HIS  34  19.288  -0.370   3.393
  255   2HB   HIS  34           HB1      HIS  34  20.440  -1.654   3.767
  256    HD1  HIS  34           HD1      HIS  34  22.766  -1.282   2.951
  257    HD2  HIS  34           HD2      HIS  34  20.004   0.965   0.783
  258    HE1  HIS  34           HE1      HIS  34  24.106   0.138   1.340
  259    HA   PRO  35           HA       PRO  35  19.751  -5.515   4.171
  260   1HB   PRO  35           HB2      PRO  35  17.506  -5.640   5.949
  261   2HB   PRO  35           HB1      PRO  35  19.195  -5.314   6.362
  262   1HG   PRO  35           HG2      PRO  35  16.991  -3.456   6.346
  263   2HG   PRO  35           HG1      PRO  35  18.678  -3.142   6.776
  264   1HD   PRO  35           HD2      PRO  35  17.282  -2.312   4.403
  265   2HD   PRO  35           HD1      PRO  35  18.969  -2.005   4.842
  266    H    ALA  36           HN       ALA  36  17.958  -7.481   4.891
  267    HA   ALA  36           HA       ALA  36  16.747  -8.163   2.335
  268   1HB   ALA  36           HB2      ALA  36  17.751  -9.835   3.940
  269   2HB   ALA  36           HB1      ALA  36  16.372  -9.552   5.003
  270   3HB   ALA  36           HB3      ALA  36  16.122 -10.242   3.400
  271    H    MET  37           HN       MET  37  15.755  -6.192   4.844
  272    HA   MET  37           HA       MET  37  12.876  -6.853   4.545
  273   1HB   MET  37           HB2      MET  37  13.760  -4.564   6.232
  274   2HB   MET  37           HB1      MET  37  12.530  -5.785   6.553
  275   1HG   MET  37           HG2      MET  37  14.378  -7.462   6.880
  276   2HG   MET  37           HG1      MET  37  15.534  -6.137   6.746
  277   1HE   MET  37           HE3      MET  37  15.773  -4.220   8.223
  278   2HE   MET  37           HE2      MET  37  15.712  -4.495   9.962
  279   3HE   MET  37           HE1      MET  37  16.629  -5.595   8.935
  280    H    ILE  38           HN       ILE  38  11.362  -5.235   3.820
  281    HA   ILE  38           HA       ILE  38  12.690  -3.091   2.198
  282    HB   ILE  38           HB       ILE  38   9.859  -3.866   1.653
  283   1HG1  ILE  38          HG12      ILE  38  12.275  -5.583   1.014
  284   2HG1  ILE  38          HG11      ILE  38  10.826  -6.065   1.892
  285   1HG2  ILE  38          HG22      ILE  38  12.286  -3.167  -0.021
  286   2HG2  ILE  38          HG21      ILE  38  10.697  -3.542  -0.687
  287   3HG2  ILE  38          HG23      ILE  38  10.912  -2.119   0.333
  288   1HD1  ILE  38          HD12      ILE  38  10.808  -5.134  -0.989
  289   2HD1  ILE  38          HD11      ILE  38  10.865  -6.830  -0.508
  290   3HD1  ILE  38          HD13      ILE  38   9.464  -5.843  -0.093
  291    H    ARG  39           HN       ARG  39  11.443  -1.027   2.038
  292    HA   ARG  39           HA       ARG  39   9.495  -0.553   4.214
  293   1HB   ARG  39           HB2      ARG  39  11.505  -0.110   5.417
  294   2HB   ARG  39           HB1      ARG  39  12.227   0.731   4.046
  295   1HG   ARG  39           HG2      ARG  39   9.668   1.767   5.230
  296   2HG   ARG  39           HG1      ARG  39  11.201   2.124   6.025
  297   1HD   ARG  39           HD2      ARG  39  11.456   2.535   3.186
  298   2HD   ARG  39           HD1      ARG  39  10.079   3.452   3.792
  299    HE   ARG  39           HE       ARG  39  12.787   4.186   4.133
  300   1HH1  ARG  39          HH21      ARG  39   9.950   3.744   6.075
  301   2HH1  ARG  39          HH22      ARG  39  10.574   4.660   7.401
  302   1HH2  ARG  39          HH11      ARG  39  13.577   5.398   5.846
  303   2HH2  ARG  39          HH12      ARG  39  12.613   5.601   7.270
  304    H    ILE  40           HN       ILE  40   8.359   1.485   3.942
  305    HA   ILE  40           HA       ILE  40   8.918   3.113   1.565
  306    HB   ILE  40           HB       ILE  40   6.243   1.716   1.767
  307   1HG1  ILE  40          HG12      ILE  40   8.679   0.943   0.130
  308   2HG1  ILE  40          HG11      ILE  40   7.955  -0.003   1.431
  309   1HG2  ILE  40          HG21      ILE  40   7.556   3.653  -0.052
  310   2HG2  ILE  40          HG23      ILE  40   6.663   2.357  -0.847
  311   3HG2  ILE  40          HG22      ILE  40   5.842   3.420   0.296
  312   1HD1  ILE  40          HD12      ILE  40   5.857   0.613  -0.367
  313   2HD1  ILE  40          HD11      ILE  40   7.219   0.083  -1.354
  314   3HD1  ILE  40          HD13      ILE  40   6.594  -0.964  -0.079
  315    H    GLU  41           HN       GLU  41   6.989   4.809   1.404
  316    HA   GLU  41           HA       GLU  41   5.338   5.359   3.653
  317   1HB   GLU  41           HB2      GLU  41   7.504   5.602   4.846
  318   2HB   GLU  41           HB1      GLU  41   7.991   6.840   3.688
  319   1HG   GLU  41           HG2      GLU  41   5.641   7.895   4.413
  320   2HG   GLU  41           HG1      GLU  41   5.980   6.987   5.886
  321    H    ALA  42           HN       ALA  42   4.068   7.175   3.247
  322    HA   ALA  42           HA       ALA  42   4.820   8.812   0.868
  323   1HB   ALA  42           HB1      ALA  42   2.986   6.978   0.544
  324   2HB   ALA  42           HB3      ALA  42   1.961   8.085   1.458
  325   3HB   ALA  42           HB2      ALA  42   2.677   8.603  -0.068
  326    H    GLU  43           HN       GLU  43   2.502  10.442   0.972
  327    HA   GLU  43           HA       GLU  43   2.213  11.538   3.650
  328   1HB   GLU  43           HB2      GLU  43   3.238  13.752   3.071
  329   2HB   GLU  43           HB1      GLU  43   4.415  12.441   3.171
  330   1HG   GLU  43           HG2      GLU  43   4.041  12.165   0.630
  331   2HG   GLU  43           HG1      GLU  43   3.286  13.758   0.701
  332    H    LYS  44           HN       LYS  44   0.041  10.904   2.535
  333    HA   LYS  44           HA       LYS  44  -1.189  13.386   1.584
  334   1HB   LYS  44           HB2      LYS  44  -0.368  11.295  -0.277
  335   2HB   LYS  44           HB1      LYS  44  -2.103  11.606  -0.357
  336   1HG   LYS  44           HG2      LYS  44  -1.578  14.065  -0.523
  337   2HG   LYS  44           HG1      LYS  44   0.127  13.633  -0.658
  338   1HD   LYS  44           HD2      LYS  44  -1.262  11.990  -2.499
  339   2HD   LYS  44           HD1      LYS  44  -1.896  13.623  -2.708
  340   1HE   LYS  44           HE2      LYS  44   0.988  12.723  -2.881
  341   2HE   LYS  44           HE1      LYS  44   0.012  13.470  -4.146
  342   1HZ   LYS  44           HZ1      LYS  44  -0.146  15.272  -2.154
  343   2HZ   LYS  44           HZ3      LYS  44   1.436  14.692  -1.958
  344   3HZ   LYS  44           HZ2      LYS  44   0.954  15.354  -3.447
  345    H    ARG  45           HN       ARG  45  -3.552  12.316   0.586
  346    HA   ARG  45           HA       ARG  45  -4.553  10.549   2.778
  347   1HB   ARG  45           HB2      ARG  45  -6.522  11.939   3.029
  348   2HB   ARG  45           HB1      ARG  45  -5.107  12.983   3.186
  349   1HG   ARG  45           HG2      ARG  45  -5.357  13.336   0.625
  350   2HG   ARG  45           HG1      ARG  45  -6.990  12.708   0.850
  351   1HD   ARG  45           HD2      ARG  45  -5.758  15.181   2.074
  352   2HD   ARG  45           HD1      ARG  45  -7.206  15.066   1.074
  353    HE   ARG  45           HE       ARG  45  -7.808  13.516   3.290
  354   1HH1  ARG  45          HH21      ARG  45  -6.675  16.731   2.720
  355   2HH1  ARG  45          HH22      ARG  45  -7.432  17.385   4.134
  356   1HH2  ARG  45          HH11      ARG  45  -8.795  14.358   5.136
  357   2HH2  ARG  45          HH12      ARG  45  -8.629  16.043   5.500
  358    H    LEU  46           HN       LEU  46  -7.198  10.366   1.924
  359    HA   LEU  46           HA       LEU  46  -7.317   9.928  -0.941
  360   1HB   LEU  46           HB2      LEU  46  -6.519   7.738   0.822
  361   2HB   LEU  46           HB1      LEU  46  -7.947   7.348  -0.132
  362    HG   LEU  46           HG       LEU  46  -5.246   8.256  -1.162
  363   1HD1  LEU  46          HD11      LEU  46  -6.594   5.707  -0.828
  364   2HD1  LEU  46          HD13      LEU  46  -6.209   5.997  -2.525
  365   3HD1  LEU  46          HD12      LEU  46  -4.929   6.030  -1.312
  366   1HD2  LEU  46          HD23      LEU  46  -7.960   8.323  -2.392
  367   2HD2  LEU  46          HD22      LEU  46  -6.559   9.346  -2.708
  368   3HD2  LEU  46          HD21      LEU  46  -6.644   7.728  -3.404
  369    H    GLU  47           HN       GLU  47  -9.453   9.254  -1.634
  370    HA   GLU  47           HA       GLU  47 -11.549   9.094   0.453
  371   1HB   GLU  47           HB2      GLU  47 -10.983  11.486  -1.032
  372   2HB   GLU  47           HB1      GLU  47 -12.541  10.851  -1.561
  373   1HG   GLU  47           HG2      GLU  47 -13.531  11.418   0.385
  374   2HG   GLU  47           HG1      GLU  47 -12.237  10.683   1.332
  375    H    ILE  48           HN       ILE  48 -13.278   7.818  -0.241
  376    HA   ILE  48           HA       ILE  48 -13.522   7.192  -3.125
  377    HB   ILE  48           HB       ILE  48 -13.462   4.862  -1.245
  378   1HG1  ILE  48          HG12      ILE  48 -10.962   4.688  -1.932
  379   2HG1  ILE  48          HG11      ILE  48 -11.077   6.420  -2.244
  380   1HG2  ILE  48          HG22      ILE  48 -12.679   5.309  -4.141
  381   2HG2  ILE  48          HG21      ILE  48 -12.603   3.758  -3.305
  382   3HG2  ILE  48          HG23      ILE  48 -14.160   4.543  -3.568
  383   1HD1  ILE  48          HD12      ILE  48 -12.277   5.711   0.315
  384   2HD1  ILE  48          HD11      ILE  48 -10.584   5.224   0.232
  385   3HD1  ILE  48          HD13      ILE  48 -11.031   6.908  -0.041
  386    H    ARG  49           HN       ARG  49 -15.559   6.068  -3.608
  387    HA   ARG  49           HA       ARG  49 -17.641   6.722  -1.584
  388   1HB   ARG  49           HB2      ARG  49 -18.305   5.841  -4.368
  389   2HB   ARG  49           HB1      ARG  49 -19.137   7.003  -3.334
  390   1HG   ARG  49           HG2      ARG  49 -17.311   8.615  -3.638
  391   2HG   ARG  49           HG1      ARG  49 -16.429   7.450  -4.627
  392   1HD   ARG  49           HD2      ARG  49 -19.105   7.724  -5.638
  393   2HD   ARG  49           HD1      ARG  49 -18.382   9.323  -5.485
  394    HE   ARG  49           HE       ARG  49 -17.784   7.460  -7.530
  395   1HH1  ARG  49          HH21      ARG  49 -16.107   9.423  -5.217
  396   2HH1  ARG  49          HH22      ARG  49 -14.597   9.318  -6.052
  397   1HH2  ARG  49          HH11      ARG  49 -15.825   7.348  -8.618
  398   2HH2  ARG  49          HH12      ARG  49 -14.438   8.160  -7.973
  399    H    ARG  50           HN       ARG  50 -19.561   4.904  -2.900
  400    HA   ARG  50           HA       ARG  50 -19.053   2.545  -1.304
  401   1HB   ARG  50           HB2      ARG  50 -21.264   3.697  -2.630
  402   2HB   ARG  50           HB1      ARG  50 -21.036   2.111  -3.365
  403   1HG   ARG  50           HG2      ARG  50 -20.667   1.653  -0.636
  404   2HG   ARG  50           HG1      ARG  50 -22.017   2.787  -0.705
  405   1HD   ARG  50           HD2      ARG  50 -21.923   0.373  -2.511
  406   2HD   ARG  50           HD1      ARG  50 -22.560   0.257  -0.871
  407    HE   ARG  50           HE       ARG  50 -23.914   2.419  -1.941
  408   1HH1  ARG  50          HH21      ARG  50 -23.329  -0.857  -2.870
  409   2HH1  ARG  50          HH22      ARG  50 -24.835  -1.024  -3.707
  410   1HH2  ARG  50          HH11      ARG  50 -25.883   2.210  -3.027
  411   2HH2  ARG  50          HH12      ARG  50 -26.280   0.709  -3.795
  412    H    GLU  51           HN       GLU  51 -17.776   3.505  -4.233
  413    HA   GLU  51           HA       GLU  51 -17.820   0.999  -5.677
  414   1HB   GLU  51           HB2      GLU  51 -16.035   2.052  -7.045
  415   2HB   GLU  51           HB1      GLU  51 -17.410   3.134  -6.821
  416   1HG   GLU  51           HG2      GLU  51 -16.249   4.324  -5.045
  417   2HG   GLU  51           HG1      GLU  51 -14.907   3.181  -5.111
  418    H    THR  52           HN       THR  52 -15.865   2.283  -3.090
  419    HA   THR  52           HA       THR  52 -13.542   0.664  -3.489
  420    HB   THR  52           HB       THR  52 -14.347   1.195  -0.698
  421    HG1  THR  52           HG1      THR  52 -15.020   3.122  -1.142
  422   1HG2  THR  52          HG21      THR  52 -11.930   1.770  -2.424
  423   2HG2  THR  52          HG23      THR  52 -12.043   2.236  -0.727
  424   3HG2  THR  52          HG22      THR  52 -12.085   0.531  -1.178
  425    H    VAL  53           HN       VAL  53 -16.448   0.114  -1.470
  426    HA   VAL  53           HA       VAL  53 -15.728  -2.389  -0.417
  427    HB   VAL  53           HB       VAL  53 -18.443  -1.402  -1.345
  428   1HG1  VAL  53          HG12      VAL  53 -18.165  -3.943  -1.158
  429   2HG1  VAL  53          HG11      VAL  53 -17.895  -3.682   0.565
  430   3HG1  VAL  53          HG13      VAL  53 -19.433  -3.224  -0.166
  431   1HG2  VAL  53          HG23      VAL  53 -16.745  -0.879   0.940
  432   2HG2  VAL  53          HG22      VAL  53 -18.291  -0.142   0.520
  433   3HG2  VAL  53          HG21      VAL  53 -18.251  -1.632   1.462
  434    H    GLU  54           HN       GLU  54 -16.614  -1.518  -3.685
  435    HA   GLU  54           HA       GLU  54 -17.186  -4.187  -4.584
  436   1HB   GLU  54           HB2      GLU  54 -16.412  -1.652  -6.047
  437   2HB   GLU  54           HB1      GLU  54 -17.070  -3.092  -6.774
  438   1HG   GLU  54           HG2      GLU  54 -18.956  -2.731  -4.923
  439   2HG   GLU  54           HG1      GLU  54 -18.429  -1.057  -5.102
  440    H    GLU  55           HN       GLU  55 -14.350  -2.036  -4.595
  441    HA   GLU  55           HA       GLU  55 -12.673  -3.768  -6.159
  442   1HB   GLU  55           HB2      GLU  55 -11.845  -1.774  -4.027
  443   2HB   GLU  55           HB1      GLU  55 -10.822  -2.414  -5.312
  444   1HG   GLU  55           HG2      GLU  55 -13.402  -1.017  -5.985
  445   2HG   GLU  55           HG1      GLU  55 -11.942  -0.082  -5.657
  446    H    ASN  56           HN       ASN  56 -13.057  -3.370  -2.631
  447    HA   ASN  56           HA       ASN  56 -11.129  -5.271  -1.816
  448   1HB   ASN  56           HB2      ASN  56 -12.951  -3.665  -0.528
  449   2HB   ASN  56           HB1      ASN  56 -13.613  -5.272  -0.231
  450   1HD2  ASN  56          HD22      ASN  56 -10.591  -6.360   1.517
  451   2HD2  ASN  56          HD21      ASN  56 -11.681  -6.940   0.351
  452    H    LEU  57           HN       LEU  57 -14.568  -5.728  -2.656
  453    HA   LEU  57           HA       LEU  57 -14.747  -8.488  -2.044
  454   1HB   LEU  57           HB2      LEU  57 -16.719  -7.161  -2.642
  455   2HB   LEU  57           HB1      LEU  57 -16.095  -6.936  -4.276
  456    HG   LEU  57           HG       LEU  57 -15.998  -9.594  -4.228
  457   1HD1  LEU  57          HD11      LEU  57 -16.774  -9.624  -1.828
  458   2HD1  LEU  57          HD13      LEU  57 -18.320  -8.981  -2.380
  459   3HD1  LEU  57          HD12      LEU  57 -17.783 -10.571  -2.921
  460   1HD2  LEU  57          HD21      LEU  57 -17.958  -7.604  -5.055
  461   2HD2  LEU  57          HD23      LEU  57 -17.422  -9.058  -5.899
  462   3HD2  LEU  57          HD22      LEU  57 -18.723  -9.156  -4.712
  463    H    GLY  58           HN       GLY  58 -14.010  -6.991  -5.222
  464   1HA   GLY  58           HA2      GLY  58 -13.275  -9.538  -6.399
  465   2HA   GLY  58           HA1      GLY  58 -13.001  -7.953  -7.121
  466    H    ARG  59           HN       ARG  59 -11.724  -7.694  -4.115
  467    HA   ARG  59           HA       ARG  59  -9.040  -8.628  -5.050
  468   1HB   ARG  59           HB2      ARG  59  -9.732  -6.038  -4.616
  469   2HB   ARG  59           HB1      ARG  59  -9.179  -6.488  -3.004
  470   1HG   ARG  59           HG2      ARG  59  -7.041  -7.225  -3.877
  471   2HG   ARG  59           HG1      ARG  59  -7.592  -6.990  -5.536
  472   1HD   ARG  59           HD2      ARG  59  -7.610  -4.636  -5.322
  473   2HD   ARG  59           HD1      ARG  59  -7.574  -4.711  -3.560
  474    HE   ARG  59           HE       ARG  59  -5.201  -5.921  -4.322
  475   1HH1  ARG  59          HH21      ARG  59  -6.807  -2.933  -4.977
  476   2HH1  ARG  59          HH22      ARG  59  -5.337  -2.043  -5.189
  477   1HH2  ARG  59          HH11      ARG  59  -3.280  -4.768  -4.596
  478   2HH2  ARG  59          HH12      ARG  59  -3.344  -3.079  -4.973
  479    H    ALA  60           HN       ALA  60 -11.377  -9.587  -3.084
  480    HA   ALA  60           HA       ALA  60 -10.222  -9.755  -0.483
  481   1HB   ALA  60           HB2      ALA  60 -12.571 -10.648  -1.717
  482   2HB   ALA  60           HB1      ALA  60 -11.763 -12.122  -1.185
  483   3HB   ALA  60           HB3      ALA  60 -12.138 -10.853  -0.019
  484    H    TRP  61           HN       TRP  61  -9.642 -11.573  -3.415
  485    HA   TRP  61           HA       TRP  61  -8.101 -13.640  -1.977
  486   1HB   TRP  61           HB2      TRP  61  -9.570 -13.812  -4.222
  487   2HB   TRP  61           HB1      TRP  61  -8.010 -13.427  -4.948
  488    HD1  TRP  61           HD1      TRP  61  -6.091 -14.943  -3.006
  489    HE1  TRP  61           HE1      TRP  61  -6.043 -17.520  -2.970
  490    HE3  TRP  61           HE3      TRP  61 -10.675 -15.940  -5.026
  491    HZ2  TRP  61           HZ2      TRP  61  -7.726 -19.713  -3.698
  492    HZ3  TRP  61           HZ3      TRP  61 -11.426 -18.281  -5.343
  493    HH2  TRP  61           HH2      TRP  61  -9.958 -20.167  -4.682
  494    H    ASP  62           HN       ASP  62  -7.239 -10.780  -1.955
  495    HA   ASP  62           HA       ASP  62  -4.638 -11.059  -3.404
  496   1HB   ASP  62           HB2      ASP  62  -6.449  -8.977  -3.484
  497   2HB   ASP  62           HB1      ASP  62  -5.281  -8.419  -2.285
  498    H    VAL  63           HN       VAL  63  -5.860 -11.646  -0.454
  499    HA   VAL  63           HA       VAL  63  -4.010 -10.228   1.270
  500    HB   VAL  63           HB       VAL  63  -5.438 -12.824   1.874
  501   1HG1  VAL  63          HG11      VAL  63  -3.658 -11.837   3.440
  502   2HG1  VAL  63          HG13      VAL  63  -4.793 -10.516   3.716
  503   3HG1  VAL  63          HG12      VAL  63  -5.237 -12.166   4.153
  504   1HG2  VAL  63          HG22      VAL  63  -6.810 -10.775   0.903
  505   2HG2  VAL  63          HG21      VAL  63  -7.417 -11.673   2.294
  506   3HG2  VAL  63          HG23      VAL  63  -6.590 -10.134   2.531
  507    H    GLN  64           HN       GLN  64  -4.149 -13.598   0.072
  508    HA   GLN  64           HA       GLN  64  -1.833 -14.598   1.277
  509   1HB   GLN  64           HB2      GLN  64  -2.654 -15.141  -1.591
  510   2HB   GLN  64           HB1      GLN  64  -1.717 -16.201  -0.537
  511   1HG   GLN  64           HG2      GLN  64  -4.623 -15.406  -0.233
  512   2HG   GLN  64           HG1      GLN  64  -3.977 -17.022  -0.516
  513   1HE2  GLN  64          HE22      GLN  64  -4.530 -15.961   3.239
  514   2HE2  GLN  64          HE21      GLN  64  -5.365 -15.340   1.898
  515    H    GLU  65           HN       GLU  65  -2.058 -12.819  -1.817
  516    HA   GLU  65           HA       GLU  65   0.809 -12.791  -2.214
  517   1HB   GLU  65           HB2      GLU  65  -1.523 -11.348  -3.450
  518   2HB   GLU  65           HB1      GLU  65   0.125 -10.837  -3.818
  519   1HG   GLU  65           HG2      GLU  65  -0.402 -13.757  -3.963
  520   2HG   GLU  65           HG1      GLU  65  -1.154 -12.768  -5.214
  521    H    MET  66           HN       MET  66  -1.436 -10.802  -0.434
  522    HA   MET  66           HA       MET  66   0.425  -8.550  -0.199
  523   1HB   MET  66           HB2      MET  66  -2.338  -9.044   0.380
  524   2HB   MET  66           HB1      MET  66  -1.552  -8.466   1.849
  525   1HG   MET  66           HG2      MET  66  -0.459  -6.729   0.147
  526   2HG   MET  66           HG1      MET  66  -1.921  -7.081  -0.774
  527   1HE   MET  66           HE3      MET  66  -1.726  -4.378  -0.318
  528   2HE   MET  66           HE2      MET  66  -3.354  -4.966  -0.650
  529   3HE   MET  66           HE1      MET  66  -3.094  -3.794   0.639
  530    H    LEU  67           HN       LEU  67   0.082 -11.589   1.284
  531    HA   LEU  67           HA       LEU  67   1.196 -10.745   3.878
  532   1HB   LEU  67           HB2      LEU  67  -0.443 -12.637   3.685
  533   2HB   LEU  67           HB1      LEU  67   0.778 -13.548   2.797
  534    HG   LEU  67           HG       LEU  67   2.317 -13.065   4.826
  535   1HD1  LEU  67          HD13      LEU  67   0.829 -11.368   5.848
  536   2HD1  LEU  67          HD12      LEU  67  -0.411 -12.602   6.073
  537   3HD1  LEU  67          HD11      LEU  67   1.117 -12.718   6.946
  538   1HD2  LEU  67          HD23      LEU  67   0.262 -15.066   4.351
  539   2HD2  LEU  67          HD22      LEU  67   1.889 -15.276   5.002
  540   3HD2  LEU  67          HD21      LEU  67   0.555 -14.860   6.078
  541    H    VAL  68           HN       VAL  68   2.328 -11.876   0.805
  542    HA   VAL  68           HA       VAL  68   4.804 -13.050   1.553
  543    HB   VAL  68           HB       VAL  68   4.347 -11.342  -0.900
  544   1HG1  VAL  68          HG12      VAL  68   6.566 -12.766   0.016
  545   2HG1  VAL  68          HG11      VAL  68   5.823 -13.841  -1.167
  546   3HG1  VAL  68          HG13      VAL  68   6.297 -12.208  -1.635
  547   1HG2  VAL  68          HG22      VAL  68   3.430 -14.138  -0.225
  548   2HG2  VAL  68          HG21      VAL  68   2.487 -12.810  -0.903
  549   3HG2  VAL  68          HG23      VAL  68   3.689 -13.636  -1.896
  550    H    ASP  69           HN       ASP  69   3.843  -9.673   1.207
  551    HA   ASP  69           HA       ASP  69   6.622  -8.808   1.842
  552   1HB   ASP  69           HB2      ASP  69   4.661  -6.666   1.529
  553   2HB   ASP  69           HB1      ASP  69   6.158  -6.946   0.644
  554    H    VAL  70           HN       VAL  70   6.562  -9.454   4.081
  555    HA   VAL  70           HA       VAL  70   4.582  -8.072   5.835
  556    HB   VAL  70           HB       VAL  70   4.795 -10.420   6.292
  557   1HG1  VAL  70          HG12      VAL  70   7.753  -9.793   6.111
  558   2HG1  VAL  70          HG11      VAL  70   7.166 -11.276   6.860
  559   3HG1  VAL  70          HG13      VAL  70   6.830 -10.955   5.159
  560   1HG2  VAL  70          HG22      VAL  70   5.144  -8.546   8.199
  561   2HG2  VAL  70          HG21      VAL  70   5.189 -10.270   8.572
  562   3HG2  VAL  70          HG23      VAL  70   6.693  -9.374   8.352
  563    H    ILE  71           HN       ILE  71   5.255  -6.516   7.379
  564    HA   ILE  71           HA       ILE  71   7.680  -6.311   8.608
  565    HB   ILE  71           HB       ILE  71   8.016  -5.645   5.841
  566   1HG1  ILE  71          HG12      ILE  71   9.412  -7.116   7.308
  567   2HG1  ILE  71          HG11      ILE  71  10.347  -5.905   6.429
  568   1HG2  ILE  71          HG23      ILE  71   7.634  -3.313   6.773
  569   2HG2  ILE  71          HG22      ILE  71   9.087  -3.559   7.736
  570   3HG2  ILE  71          HG21      ILE  71   9.181  -3.574   5.975
  571   1HD1  ILE  71          HD12      ILE  71   9.592  -4.604   8.781
  572   2HD1  ILE  71          HD11      ILE  71  10.000  -6.237   9.305
  573   3HD1  ILE  71          HD13      ILE  71  11.185  -5.270   8.426
  574    H    THR  72           HN       THR  72   5.600  -3.891   6.860
  575    HA   THR  72           HA       THR  72   4.794  -2.827   9.441
  576    HB   THR  72           HB       THR  72   6.376  -0.869   7.834
  577    HG1  THR  72           HG1      THR  72   8.165  -1.440   9.121
  578   1HG2  THR  72          HG21      THR  72   5.040  -1.021  10.431
  579   2HG2  THR  72          HG23      THR  72   6.699  -0.435  10.552
  580   3HG2  THR  72          HG22      THR  72   5.545   0.396   9.509
  581    H    ILE  73           HN       ILE  73   3.600  -0.712   9.228
  582    HA   ILE  73           HA       ILE  73   2.494   0.028   6.642
  583    HB   ILE  73           HB       ILE  73   0.270  -0.779   8.384
  584   1HG1  ILE  73          HG12      ILE  73   1.801  -3.005   7.019
  585   2HG1  ILE  73          HG11      ILE  73   2.009  -2.639   8.733
  586   1HG2  ILE  73          HG21      ILE  73   0.845  -0.317   5.642
  587   2HG2  ILE  73          HG23      ILE  73   0.294  -1.987   5.778
  588   3HG2  ILE  73          HG22      ILE  73  -0.721  -0.672   6.373
  589   1HD1  ILE  73          HD11      ILE  73  -0.676  -2.712   8.652
  590   2HD1  ILE  73          HD13      ILE  73  -0.333  -3.813   7.318
  591   3HD1  ILE  73          HD12      ILE  73   0.296  -4.157   8.929
  592    H    GLY  74           HN       GLY  74   0.802   1.834   7.017
  593   1HA   GLY  74           HA2      GLY  74   0.287   2.962   9.552
  594   2HA   GLY  74           HA1      GLY  74   1.793   3.668   8.973
  595    H    GLY  75           HN       GLY  75  -1.265   2.805   7.331
  596   1HA   GLY  75           HA2      GLY  75  -1.240   5.550   6.157
  597   2HA   GLY  75           HA1      GLY  75  -2.080   4.163   5.455
  598    H    ASN  76           HN       ASN  76  -4.156   3.717   6.127
  599    HA   ASN  76           HA       ASN  76  -5.292   4.578   8.606
  600   1HB   ASN  76           HB2      ASN  76  -5.056   6.646   6.716
  601   2HB   ASN  76           HB1      ASN  76  -6.745   6.143   6.638
  602   1HD2  ASN  76          HD22      ASN  76  -7.115   8.386   9.394
  603   2HD2  ASN  76          HD21      ASN  76  -7.340   8.210   7.721
  604    H    VAL  77           HN       VAL  77  -7.924   4.678   8.096
  605    HA   VAL  77           HA       VAL  77  -8.950   3.115   5.969
  606    HB   VAL  77           HB       VAL  77  -7.529   1.328   7.018
  607   1HG1  VAL  77          HG11      VAL  77  -8.608   2.417   9.394
  608   2HG1  VAL  77          HG13      VAL  77  -9.277   0.792   9.251
  609   3HG1  VAL  77          HG12      VAL  77  -7.530   1.029   9.248
  610   1HG2  VAL  77          HG22      VAL  77  -9.610   0.793   5.761
  611   2HG2  VAL  77          HG21      VAL  77  -9.299  -0.369   7.050
  612   3HG2  VAL  77          HG23      VAL  77 -10.521   0.883   7.269
  613    H    ASP  78           HN       ASP  78 -10.195   5.175   6.734
  614    HA   ASP  78           HA       ASP  78 -12.008   4.570   9.007
  615   1HB   ASP  78           HB2      ASP  78 -12.284   7.132   7.541
  616   2HB   ASP  78           HB1      ASP  78 -12.265   6.821   9.273
  617    H    GLU  79           HN       GLU  79 -14.211   4.333   8.750
  618    HA   GLU  79           HA       GLU  79 -15.271   4.449   5.956
  619   1HB   GLU  79           HB2      GLU  79 -14.919   2.093   6.697
  620   2HB   GLU  79           HB1      GLU  79 -15.977   2.394   8.076
  621   1HG   GLU  79           HG2      GLU  79 -17.433   3.310   5.872
  622   2HG   GLU  79           HG1      GLU  79 -16.681   1.816   5.312
  623    H    ASP  80           HN       ASP  80 -17.406   5.264   5.791
  624    HA   ASP  80           HA       ASP  80 -18.436   6.489   8.311
  625   1HB   ASP  80           HB2      ASP  80 -17.875   8.082   6.510
  626   2HB   ASP  80           HB1      ASP  80 -18.986   7.245   5.425
  627    H    ASP  81           HN       ASP  81 -20.695   6.487   5.746
  628    HA   ASP  81           HA       ASP  81 -22.192   4.308   7.118
  629   1HB   ASP  81           HB2      ASP  81 -23.037   6.678   5.451
  630   2HB   ASP  81           HB1      ASP  81 -24.136   5.336   5.765
  631    H    ASP  82           HN       ASP  82 -22.432   5.570   3.799
  632    HA   ASP  82           HA       ASP  82 -22.137   2.756   2.838
  633   1HB   ASP  82           HB2      ASP  82 -23.473   3.394   0.919
  634   2HB   ASP  82           HB1      ASP  82 -24.324   3.922   2.371
  635    H    ARG  83           HN       ARG  83 -20.592   5.752   2.987
  636    HA   ARG  83           HA       ARG  83 -19.147   5.418   0.428
  637   1HB   ARG  83           HB2      ARG  83 -19.847   7.631   2.014
  638   2HB   ARG  83           HB1      ARG  83 -18.098   7.480   2.183
  639   1HG   ARG  83           HG2      ARG  83 -17.708   7.825  -0.077
  640   2HG   ARG  83           HG1      ARG  83 -19.297   7.220  -0.549
  641   1HD   ARG  83           HD2      ARG  83 -20.366   9.238   0.315
  642   2HD   ARG  83           HD1      ARG  83 -18.817   9.834   0.913
  643    HE   ARG  83           HE       ARG  83 -18.360   9.447  -1.786
  644   1HH1  ARG  83          HH21      ARG  83 -20.721  11.097   0.123
  645   2HH1  ARG  83          HH22      ARG  83 -20.995  12.334  -1.056
  646   1HH2  ARG  83          HH11      ARG  83 -18.708  11.058  -3.325
  647   2HH2  ARG  83          HH12      ARG  83 -19.857  12.314  -3.005
  648    H    PHE  84           HN       PHE  84 -16.625   6.407   1.292
  649    HA   PHE  84           HA       PHE  84 -15.572   4.849   3.489
  650   1HB   PHE  84           HB2      PHE  84 -16.037   3.228   1.414
  651   2HB   PHE  84           HB1      PHE  84 -14.490   3.880   0.875
  652    HD1  PHE  84           HD2      PHE  84 -12.588   3.950   2.704
  653    HD2  PHE  84           HD1      PHE  84 -16.049   1.414   2.887
  654    HE1  PHE  84           HE2      PHE  84 -11.403   2.447   4.280
  655    HE2  PHE  84           HE1      PHE  84 -14.865  -0.089   4.464
  656    HZ   PHE  84           HZ       PHE  84 -12.542   0.427   5.161
  657    H    VAL  85           HN       VAL  85 -13.360   5.424   3.886
  658    HA   VAL  85           HA       VAL  85 -12.185   7.344   1.929
  659    HB   VAL  85           HB       VAL  85 -13.367   8.405   4.000
  660   1HG1  VAL  85          HG13      VAL  85 -11.937   6.661   5.444
  661   2HG1  VAL  85          HG12      VAL  85 -10.756   7.970   5.383
  662   3HG1  VAL  85          HG11      VAL  85 -12.356   8.257   6.066
  663   1HG2  VAL  85          HG23      VAL  85 -11.316   9.201   2.360
  664   2HG2  VAL  85          HG22      VAL  85 -12.083  10.233   3.567
  665   3HG2  VAL  85          HG21      VAL  85 -10.585   9.387   3.955
  666    H    LEU  86           HN       LEU  86  -9.811   7.864   2.820
  667    HA   LEU  86           HA       LEU  86  -8.374   5.935   4.310
  668   1HB   LEU  86           HB2      LEU  86  -9.237   4.654   2.146
  669   2HB   LEU  86           HB1      LEU  86  -7.890   5.478   1.379
  670    HG   LEU  86           HG       LEU  86  -7.815   3.058   2.806
  671   1HD1  LEU  86          HD12      LEU  86  -6.243   4.555   1.063
  672   2HD1  LEU  86          HD11      LEU  86  -5.215   4.325   2.477
  673   3HD1  LEU  86          HD13      LEU  86  -5.897   2.927   1.647
  674   1HD2  LEU  86          HD23      LEU  86  -6.691   5.323   4.453
  675   2HD2  LEU  86          HD22      LEU  86  -7.597   3.911   4.977
  676   3HD2  LEU  86          HD21      LEU  86  -5.920   3.742   4.467
  677    H    GLU  87           HN       GLU  87  -5.898   5.990   3.073
  678    HA   GLU  87           HA       GLU  87  -5.481   8.903   2.569
  679   1HB   GLU  87           HB2      GLU  87  -4.223   7.080   4.501
  680   2HB   GLU  87           HB1      GLU  87  -3.069   8.022   3.553
  681   1HG   GLU  87           HG2      GLU  87  -3.790  10.031   4.408
  682   2HG   GLU  87           HG1      GLU  87  -5.447   9.466   4.615
  683    H    TRP  88           HN       TRP  88  -2.776   8.774   1.885
  684    HA   TRP  88           HA       TRP  88  -2.747   8.306  -0.823
  685   1HB   TRP  88           HB2      TRP  88  -0.718   9.187  -0.323
  686   2HB   TRP  88           HB1      TRP  88  -0.737   8.513   1.299
  687    HD1  TRP  88           HD1      TRP  88  -0.194   5.730   1.340
  688    HE1  TRP  88           HE1      TRP  88   1.677   4.500   0.060
  689    HE3  TRP  88           HE3      TRP  88   0.776   9.158  -2.323
  690    HZ2  TRP  88           HZ2      TRP  88   3.361   4.914  -2.215
  691    HZ3  TRP  88           HZ3      TRP  88   2.517   8.714  -4.030
  692    HH2  TRP  88           HH2      TRP  88   3.809   6.599  -3.981
  693    H    LYS  89           HN       LYS  89  -2.042   6.514  -2.160
  694    HA   LYS  89           HA       LYS  89  -2.607   3.866  -0.900
  695   1HB   LYS  89           HB2      LYS  89  -4.080   4.612  -2.799
  696   2HB   LYS  89           HB1      LYS  89  -2.657   4.598  -3.841
  697   1HG   LYS  89           HG2      LYS  89  -2.788   2.365  -4.095
  698   2HG   LYS  89           HG1      LYS  89  -2.839   2.124  -2.349
  699   1HD   LYS  89           HD2      LYS  89  -4.886   1.246  -3.378
  700   2HD   LYS  89           HD1      LYS  89  -5.266   2.638  -2.364
  701   1HE   LYS  89           HE2      LYS  89  -6.081   3.779  -4.126
  702   2HE   LYS  89           HE1      LYS  89  -4.606   3.495  -5.051
  703   1HZ   LYS  89           HZ2      LYS  89  -6.589   1.342  -4.706
  704   2HZ   LYS  89           HZ1      LYS  89  -6.813   2.526  -5.903
  705   3HZ   LYS  89           HZ3      LYS  89  -5.430   1.544  -5.933
  706    H    ASN  90           HN       ASN  90  -1.171   2.119  -1.328
  707    HA   ASN  90           HA       ASN  90   1.601   2.917  -1.743
  708   1HB   ASN  90           HB2      ASN  90   1.197   1.157  -0.159
  709   2HB   ASN  90           HB1      ASN  90   0.261   0.233  -1.335
  710   1HD2  ASN  90          HD22      ASN  90   3.331  -1.521  -1.819
  711   2HD2  ASN  90          HD21      ASN  90   1.806  -1.587  -1.078
   
  No H/Q in entry =         711
  Start of MODEL   10
    1   1H    MET   1           HT1      MET   1  -2.727  13.537  10.190
    2   2H    MET   1           HT3      MET   1  -2.598  15.223  10.324
    3   3H    MET   1           HT2      MET   1  -2.682  14.264  11.724
    4    HA   MET   1           HA       MET   1  -4.873  14.415  11.746
    5   1HB   MET   1           HB2      MET   1  -4.241  16.601  10.497
    6   2HB   MET   1           HB1      MET   1  -4.837  15.778   9.055
    7   1HG   MET   1           HG2      MET   1  -6.761  16.865   9.831
    8   2HG   MET   1           HG1      MET   1  -6.934  15.257  10.532
    9   1HE   MET   1           HE3      MET   1  -7.642  18.337  10.788
   10   2HE   MET   1           HE2      MET   1  -8.496  17.955  12.281
   11   3HE   MET   1           HE1      MET   1  -7.183  19.130  12.302
   12    H    SER   2           HN       SER   2  -3.918  11.998  10.754
   13    HA   SER   2           HA       SER   2  -4.609  10.104   9.555
   14   1HB   SER   2           HB2      SER   2  -7.124  11.753   9.735
   15   2HB   SER   2           HB1      SER   2  -7.113  10.232   8.848
   16    HG   SER   2           HG       SER   2  -5.930  10.198  11.355
   17    H    SER   3           HN       SER   3  -3.608  12.654   8.135
   18    HA   SER   3           HA       SER   3  -4.787  12.152   5.441
   19   1HB   SER   3           HB2      SER   3  -3.418  14.254   4.871
   20   2HB   SER   3           HB1      SER   3  -4.823  14.471   5.911
   21    HG   SER   3           HG       SER   3  -2.258  13.949   6.970
   22    H    LEU   4           HN       LEU   4  -2.495  10.717   7.121
   23    HA   LEU   4           HA       LEU   4  -0.648  10.630   4.789
   24   1HB   LEU   4           HB2      LEU   4   0.999   9.782   6.710
   25   2HB   LEU   4           HB1      LEU   4   0.801  11.498   6.364
   26    HG   LEU   4           HG       LEU   4  -1.061  11.507   8.106
   27   1HD1  LEU   4          HD11      LEU   4  -1.398   9.045   8.117
   28   2HD1  LEU   4          HD13      LEU   4   0.210   8.844   8.812
   29   3HD1  LEU   4          HD12      LEU   4  -1.051   9.667   9.730
   30   1HD2  LEU   4          HD22      LEU   4   1.737  11.706   8.359
   31   2HD2  LEU   4          HD21      LEU   4   0.528  12.341   9.475
   32   3HD2  LEU   4          HD23      LEU   4   1.214  10.737   9.737
   33    H    VAL   5           HN       VAL   5   0.772   8.377   5.194
   34    HA   VAL   5           HA       VAL   5  -0.985   6.224   6.138
   35    HB   VAL   5           HB       VAL   5  -1.972   6.217   4.077
   36   1HG1  VAL   5          HG12      VAL   5   0.534   7.532   3.221
   37   2HG1  VAL   5          HG11      VAL   5  -0.349   6.639   1.983
   38   3HG1  VAL   5          HG13      VAL   5  -1.136   7.958   2.850
   39   1HG2  VAL   5          HG22      VAL   5   0.549   4.647   3.538
   40   2HG2  VAL   5          HG21      VAL   5  -0.929   4.022   4.269
   41   3HG2  VAL   5          HG23      VAL   5  -0.927   4.533   2.582
   42    H    TYR   6           HN       TYR   6   0.049   4.076   5.853
   43    HA   TYR   6           HA       TYR   6   2.946   4.310   5.449
   44   1HB   TYR   6           HB2      TYR   6   3.078   4.266   7.760
   45   2HB   TYR   6           HB1      TYR   6   1.544   3.419   7.926
   46    HD1  TYR   6           HD1      TYR   6   1.436   0.936   7.377
   47    HD2  TYR   6           HD2      TYR   6   5.141   3.082   7.719
   48    HE1  TYR   6           HE1      TYR   6   2.654  -1.205   7.650
   49    HE2  TYR   6           HE2      TYR   6   6.357   0.940   7.992
   50    HH   TYR   6           HH       TYR   6   5.595  -1.503   8.890
   51    H    ILE   7           HN       ILE   7   3.920   2.381   4.643
   52    HA   ILE   7           HA       ILE   7   2.305  -0.041   4.294
   53    HB   ILE   7           HB       ILE   7   2.133  -0.002   1.927
   54   1HG1  ILE   7          HG12      ILE   7   3.200   2.161   0.770
   55   2HG1  ILE   7          HG11      ILE   7   4.284   2.067   2.158
   56   1HG2  ILE   7          HG23      ILE   7   0.527   1.521   3.018
   57   2HG2  ILE   7          HG22      ILE   7   1.676   2.849   2.850
   58   3HG2  ILE   7          HG21      ILE   7   0.973   2.105   1.416
   59   1HD1  ILE   7          HD13      ILE   7   3.968  -0.577   1.149
   60   2HD1  ILE   7          HD12      ILE   7   4.311   0.475  -0.225
   61   3HD1  ILE   7          HD11      ILE   7   5.424   0.417   1.142
   62    H    ALA   8           HN       ALA   8   3.699  -1.801   4.032
   63    HA   ALA   8           HA       ALA   8   6.574  -1.072   3.616
   64   1HB   ALA   8           HB3      ALA   8   5.269  -2.595   5.743
   65   2HB   ALA   8           HB2      ALA   8   6.607  -3.457   4.987
   66   3HB   ALA   8           HB1      ALA   8   6.872  -1.869   5.706
   67    H    PHE   9           HN       PHE   9   7.790  -3.292   3.227
   68    HA   PHE   9           HA       PHE   9   6.135  -5.034   1.549
   69   1HB   PHE   9           HB2      PHE   9   7.742  -3.079   0.349
   70   2HB   PHE   9           HB1      PHE   9   8.632  -4.601   0.173
   71    HD1  PHE   9           HD1      PHE   9   5.139  -3.353   0.090
   72    HD2  PHE   9           HD2      PHE   9   8.029  -6.064  -1.550
   73    HE1  PHE   9           HE1      PHE   9   3.437  -4.196  -1.459
   74    HE2  PHE   9           HE2      PHE   9   6.332  -6.900  -3.126
   75    HZ   PHE   9           HZ       PHE   9   4.029  -5.962  -3.112
   76    H    GLN  10           HN       GLN  10   7.762  -6.766   0.596
   77    HA   GLN  10           HA       GLN  10   9.983  -7.590   2.231
   78   1HB   GLN  10           HB2      GLN  10   7.393  -7.894   3.420
   79   2HB   GLN  10           HB1      GLN  10   8.094  -9.487   3.164
   80   1HG   GLN  10           HG2      GLN  10   9.571  -7.198   4.465
   81   2HG   GLN  10           HG1      GLN  10   8.654  -8.392   5.378
   82   1HE2  GLN  10          HE22      GLN  10  11.191 -10.729   3.471
   83   2HE2  GLN  10          HE21      GLN  10   9.733 -10.179   2.839
   84    H    ASP  11           HN       ASP  11  10.836  -8.455   0.304
   85    HA   ASP  11           HA       ASP  11   9.294 -10.689  -0.947
   86   1HB   ASP  11           HB2      ASP  11  10.435  -8.528  -2.170
   87   2HB   ASP  11           HB1      ASP  11  11.735  -9.713  -2.298
   88    H    ASN  12           HN       ASN  12  10.739 -12.506  -1.779
   89    HA   ASN  12           HA       ASN  12  12.963 -13.004   0.158
   90   1HB   ASN  12           HB2      ASN  12  10.865 -14.335   0.609
   91   2HB   ASN  12           HB1      ASN  12  11.082 -15.096  -0.967
   92   1HD2  ASN  12          HD22      ASN  12  13.760 -17.170   0.097
   93   2HD2  ASN  12          HD21      ASN  12  12.887 -16.582  -1.234
   94    H    ASP  13           HN       ASP  13  11.655 -14.505  -2.824
   95    HA   ASP  13           HA       ASP  13  14.460 -14.773  -3.787
   96   1HB   ASP  13           HB2      ASP  13  12.770 -16.742  -3.678
   97   2HB   ASP  13           HB1      ASP  13  12.036 -15.998  -5.098
   98    H    ASN  14           HN       ASN  14  11.345 -13.338  -4.592
   99    HA   ASN  14           HA       ASN  14  12.361 -12.345  -7.180
  100   1HB   ASN  14           HB2      ASN  14   9.761 -11.580  -5.835
  101   2HB   ASN  14           HB1      ASN  14  10.153 -11.522  -7.554
  102   1HD2  ASN  14          HD22      ASN  14   8.548 -14.869  -6.083
  103   2HD2  ASN  14          HD21      ASN  14   8.533 -13.379  -5.270
  104    H    ALA  15           HN       ALA  15  13.133 -11.511  -4.205
  105    HA   ALA  15           HA       ALA  15  12.516  -8.757  -3.903
  106   1HB   ALA  15           HB2      ALA  15  14.518 -10.635  -2.815
  107   2HB   ALA  15           HB1      ALA  15  15.031  -8.948  -2.828
  108   3HB   ALA  15           HB3      ALA  15  13.553  -9.413  -1.985
  109    H    ARG  16           HN       ARG  16  14.518 -10.358  -6.177
  110    HA   ARG  16           HA       ARG  16  16.453  -8.324  -6.703
  111   1HB   ARG  16           HB2      ARG  16  16.802 -10.474  -7.693
  112   2HB   ARG  16           HB1      ARG  16  15.208 -10.460  -8.447
  113   1HG   ARG  16           HG2      ARG  16  16.791  -9.938 -10.176
  114   2HG   ARG  16           HG1      ARG  16  15.970  -8.434  -9.774
  115   1HD   ARG  16           HD2      ARG  16  17.858  -7.485  -8.967
  116   2HD   ARG  16           HD1      ARG  16  18.348  -8.949  -8.120
  117    HE   ARG  16           HE       ARG  16  19.423  -8.040 -10.586
  118   1HH1  ARG  16          HH21      ARG  16  18.115 -10.931  -9.202
  119   2HH1  ARG  16          HH22      ARG  16  18.813 -11.962 -10.403
  120   1HH2  ARG  16          HH11      ARG  16  20.339  -9.380 -12.134
  121   2HH2  ARG  16          HH12      ARG  16  20.074 -11.090 -12.053
  122    H    TYR  17           HN       TYR  17  13.478  -9.035  -8.578
  123    HA   TYR  17           HA       TYR  17  13.549  -6.555 -10.007
  124   1HB   TYR  17           HB2      TYR  17  11.368  -8.555  -9.433
  125   2HB   TYR  17           HB1      TYR  17  11.029  -7.064 -10.313
  126    HD1  TYR  17           HD2      TYR  17  12.997 -10.198 -10.334
  127    HD2  TYR  17           HD1      TYR  17  11.820  -6.721 -12.563
  128    HE1  TYR  17           HE2      TYR  17  13.913 -11.217 -12.402
  129    HE2  TYR  17           HE1      TYR  17  12.736  -7.738 -14.632
  130    HH   TYR  17           HH       TYR  17  13.662  -9.539 -15.540
  131    H    VAL  18           HN       VAL  18  12.174  -7.500  -6.911
  132    HA   VAL  18           HA       VAL  18  10.556  -5.201  -6.452
  133    HB   VAL  18           HB       VAL  18  12.115  -6.963  -4.533
  134   1HG1  VAL  18          HG12      VAL  18  11.558  -4.603  -3.697
  135   2HG1  VAL  18          HG11      VAL  18   9.863  -5.072  -3.823
  136   3HG1  VAL  18          HG13      VAL  18  10.939  -5.940  -2.728
  137   1HG2  VAL  18          HG21      VAL  18   9.852  -7.471  -6.070
  138   2HG2  VAL  18          HG23      VAL  18  10.329  -8.355  -4.620
  139   3HG2  VAL  18          HG22      VAL  18   9.186  -7.018  -4.501
  140    H    VAL  19           HN       VAL  19  14.009  -5.779  -6.182
  141    HA   VAL  19           HA       VAL  19  14.566  -3.214  -4.901
  142    HB   VAL  19           HB       VAL  19  16.421  -5.114  -6.375
  143   1HG1  VAL  19          HG13      VAL  19  17.017  -2.584  -5.841
  144   2HG1  VAL  19          HG12      VAL  19  17.273  -3.219  -4.216
  145   3HG1  VAL  19          HG11      VAL  19  18.202  -3.862  -5.570
  146   1HG2  VAL  19          HG23      VAL  19  15.016  -5.516  -3.985
  147   2HG2  VAL  19          HG22      VAL  19  16.433  -6.415  -4.527
  148   3HG2  VAL  19          HG21      VAL  19  16.628  -5.017  -3.471
  149    H    GLU  20           HN       GLU  20  14.172  -4.463  -8.114
  150    HA   GLU  20           HA       GLU  20  15.521  -2.394  -9.567
  151   1HB   GLU  20           HB2      GLU  20  14.912  -4.438 -10.703
  152   2HB   GLU  20           HB1      GLU  20  13.209  -4.207 -10.307
  153   1HG   GLU  20           HG2      GLU  20  13.843  -3.550 -12.671
  154   2HG   GLU  20           HG1      GLU  20  13.057  -2.277 -11.738
  155    H    ALA  21           HN       ALA  21  12.046  -2.836  -8.803
  156    HA   ALA  21           HA       ALA  21  11.311  -0.214  -9.756
  157   1HB   ALA  21           HB2      ALA  21  10.006  -2.455  -8.367
  158   2HB   ALA  21           HB1      ALA  21   9.390  -0.874  -7.883
  159   3HB   ALA  21           HB3      ALA  21   9.353  -1.354  -9.580
  160    H    ILE  22           HN       ILE  22  12.035  -1.545  -6.538
  161    HA   ILE  22           HA       ILE  22  11.545   0.766  -4.992
  162    HB   ILE  22           HB       ILE  22  13.261  -1.655  -4.719
  163   1HG1  ILE  22          HG12      ILE  22  12.077  -1.699  -2.504
  164   2HG1  ILE  22          HG11      ILE  22  11.273  -0.196  -2.954
  165   1HG2  ILE  22          HG21      ILE  22  13.894   0.958  -3.430
  166   2HG2  ILE  22          HG23      ILE  22  13.933  -0.471  -2.397
  167   3HG2  ILE  22          HG22      ILE  22  14.963  -0.388  -3.826
  168   1HD1  ILE  22          HD12      ILE  22  10.845  -1.810  -5.162
  169   2HD1  ILE  22          HD11      ILE  22  10.712  -2.939  -3.816
  170   3HD1  ILE  22          HD13      ILE  22   9.680  -1.511  -3.874
  171    H    ILE  23           HN       ILE  23  14.218  -0.045  -7.125
  172    HA   ILE  23           HA       ILE  23  15.951   2.097  -6.241
  173    HB   ILE  23           HB       ILE  23  15.834   0.344  -8.695
  174   1HG1  ILE  23          HG12      ILE  23  18.141   0.782  -6.805
  175   2HG1  ILE  23          HG11      ILE  23  16.809  -0.285  -6.358
  176   1HG2  ILE  23          HG23      ILE  23  17.379   2.883  -8.292
  177   2HG2  ILE  23          HG22      ILE  23  18.155   1.543  -9.135
  178   3HG2  ILE  23          HG21      ILE  23  16.661   2.235  -9.766
  179   1HD1  ILE  23          HD12      ILE  23  17.423  -1.020  -8.982
  180   2HD1  ILE  23          HD11      ILE  23  18.994  -0.752  -8.228
  181   3HD1  ILE  23          HD13      ILE  23  17.862  -1.906  -7.522
  182    H    GLN  24           HN       GLN  24  13.541   1.772  -8.846
  183    HA   GLN  24           HA       GLN  24  13.939   4.614  -9.574
  184   1HB   GLN  24           HB2      GLN  24  12.933   2.274 -10.902
  185   2HB   GLN  24           HB1      GLN  24  11.676   3.511 -10.904
  186   1HG   GLN  24           HG2      GLN  24  14.029   4.911 -11.474
  187   2HG   GLN  24           HG1      GLN  24  14.165   3.421 -12.410
  188   1HE2  GLN  24          HE22      GLN  24  10.862   4.197 -14.004
  189   2HE2  GLN  24          HE21      GLN  24  11.441   2.939 -13.023
  190    H    ASP  25           HN       ASP  25  12.413   3.152  -7.110
  191    HA   ASP  25           HA       ASP  25  10.128   5.086  -7.175
  192   1HB   ASP  25           HB2      ASP  25  10.227   2.239  -6.572
  193   2HB   ASP  25           HB1      ASP  25   9.571   3.160  -5.221
  194    H    ASN  26           HN       ASN  26  13.033   4.198  -5.660
  195    HA   ASN  26           HA       ASN  26  12.325   5.269  -3.018
  196   1HB   ASN  26           HB2      ASN  26  14.746   4.033  -4.254
  197   2HB   ASN  26           HB1      ASN  26  14.955   5.017  -2.807
  198   1HD2  ASN  26          HD22      ASN  26  12.298   1.942  -2.252
  199   2HD2  ASN  26          HD21      ASN  26  12.092   3.007  -3.558
  200    HA   PRO  27           HA       PRO  27  15.714   8.556  -4.316
  201   1HB   PRO  27           HB2      PRO  27  15.357   8.868  -7.147
  202   2HB   PRO  27           HB1      PRO  27  16.841   8.453  -6.279
  203   1HG   PRO  27           HG2      PRO  27  15.227   6.731  -7.918
  204   2HG   PRO  27           HG1      PRO  27  16.702   6.317  -7.034
  205   1HD   PRO  27           HD2      PRO  27  13.992   5.561  -6.412
  206   2HD   PRO  27           HD1      PRO  27  15.475   5.124  -5.545
  207    H    HIS  28           HN       HIS  28  12.654   7.813  -5.872
  208    HA   HIS  28           HA       HIS  28  11.889  10.686  -5.830
  209   1HB   HIS  28           HB2      HIS  28  11.421   8.812  -7.723
  210   2HB   HIS  28           HB1      HIS  28   9.965   8.615  -6.748
  211    HD1  HIS  28           HD1      HIS  28   9.210   9.702  -9.314
  212    HD2  HIS  28           HD2      HIS  28  10.744  12.232  -6.378
  213    HE1  HIS  28           HE1      HIS  28   8.476  12.046  -9.934
  214    H    ALA  29           HN       ALA  29  11.102   7.572  -4.345
  215    HA   ALA  29           HA       ALA  29   9.005   8.921  -2.710
  216   1HB   ALA  29           HB2      ALA  29   8.769   6.596  -3.972
  217   2HB   ALA  29           HB1      ALA  29   9.552   5.986  -2.514
  218   3HB   ALA  29           HB3      ALA  29   8.020   6.851  -2.395
  219    H    VAL  30           HN       VAL  30   8.951   7.898  -0.359
  220    HA   VAL  30           HA       VAL  30  11.685   8.291   0.757
  221    HB   VAL  30           HB       VAL  30   9.202   8.142   2.439
  222   1HG1  VAL  30          HG12      VAL  30  11.976   9.130   2.627
  223   2HG1  VAL  30          HG11      VAL  30  10.768  10.227   3.295
  224   3HG1  VAL  30          HG13      VAL  30  10.891   8.576   3.902
  225   1HG2  VAL  30          HG23      VAL  30  10.077  10.477   0.713
  226   2HG2  VAL  30          HG22      VAL  30   8.525   9.641   0.662
  227   3HG2  VAL  30          HG21      VAL  30   8.950  10.627   2.061
  228    H    VAL  31           HN       VAL  31  12.263   6.840   2.631
  229    HA   VAL  31           HA       VAL  31  10.817   4.370   3.035
  230    HB   VAL  31           HB       VAL  31  11.611   3.723   0.888
  231   1HG1  VAL  31          HG11      VAL  31  13.783   5.491   1.570
  232   2HG1  VAL  31          HG13      VAL  31  14.427   3.940   1.034
  233   3HG1  VAL  31          HG12      VAL  31  13.337   4.851  -0.012
  234   1HG2  VAL  31          HG21      VAL  31  11.993   2.059   2.718
  235   2HG2  VAL  31          HG23      VAL  31  13.141   1.889   1.390
  236   3HG2  VAL  31          HG22      VAL  31  13.636   2.676   2.888
  237    H    GLN  32           HN       GLN  32  12.152   2.839   4.409
  238    HA   GLN  32           HA       GLN  32  14.618   3.731   5.606
  239   1HB   GLN  32           HB2      GLN  32  13.689   4.262   7.866
  240   2HB   GLN  32           HB1      GLN  32  13.211   5.434   6.637
  241   1HG   GLN  32           HG2      GLN  32  11.210   3.551   6.448
  242   2HG   GLN  32           HG1      GLN  32  11.553   3.556   8.178
  243   1HE2  GLN  32          HE22      GLN  32  10.420   6.916   8.659
  244   2HE2  GLN  32          HE21      GLN  32  11.413   5.700   9.305
  245    H    HIS  33           HN       HIS  33  14.438   1.326   4.747
  246    HA   HIS  33           HA       HIS  33  13.329  -0.455   6.852
  247   1HB   HIS  33           HB2      HIS  33  13.482  -2.210   5.226
  248   2HB   HIS  33           HB1      HIS  33  12.811  -0.814   4.389
  249    HD1  HIS  33           HD1      HIS  33  15.948  -2.869   4.683
  250    HD2  HIS  33           HD2      HIS  33  14.522   0.342   2.440
  251    HE1  HIS  33           HE1      HIS  33  17.612  -2.511   2.808
  252    H    HIS  34           HN       HIS  34  14.847  -2.560   7.023
  253    HA   HIS  34           HA       HIS  34  17.708  -1.938   6.928
  254   1HB   HIS  34           HB2      HIS  34  16.175  -1.520   9.348
  255   2HB   HIS  34           HB1      HIS  34  17.382  -2.782   9.592
  256    HD1  HIS  34           HD1      HIS  34  17.063   0.848   8.595
  257    HD2  HIS  34           HD2      HIS  34  20.054  -1.884   9.581
  258    HE1  HIS  34           HE1      HIS  34  19.202   2.183   8.830
  259    HA   PRO  35           HA       PRO  35  17.206  -6.419   8.351
  260   1HB   PRO  35           HB2      PRO  35  14.483  -7.192   8.725
  261   2HB   PRO  35           HB1      PRO  35  15.745  -7.079   9.959
  262   1HG   PRO  35           HG2      PRO  35  13.478  -5.323   9.554
  263   2HG   PRO  35           HG1      PRO  35  14.684  -5.277  10.847
  264   1HD   PRO  35           HD2      PRO  35  14.430  -3.473   8.634
  265   2HD   PRO  35           HD1      PRO  35  15.674  -3.477   9.897
  266    H    ALA  36           HN       ALA  36  15.619  -8.429   7.361
  267    HA   ALA  36           HA       ALA  36  15.842  -8.137   4.530
  268   1HB   ALA  36           HB3      ALA  36  15.778 -10.334   5.733
  269   2HB   ALA  36           HB2      ALA  36  14.063 -10.071   6.050
  270   3HB   ALA  36           HB1      ALA  36  14.635 -10.255   4.392
  271    H    MET  37           HN       MET  37  13.477  -7.032   6.737
  272    HA   MET  37           HA       MET  37  11.281  -6.996   4.811
  273   1HB   MET  37           HB2      MET  37  11.590  -5.667   7.519
  274   2HB   MET  37           HB1      MET  37  10.100  -5.685   6.574
  275   1HG   MET  37           HG2      MET  37  10.080  -8.151   6.646
  276   2HG   MET  37           HG1      MET  37  11.571  -8.137   7.588
  277   1HE   MET  37           HE1      MET  37   8.118  -7.035   7.119
  278   2HE   MET  37           HE3      MET  37   7.703  -8.454   8.091
  279   3HE   MET  37           HE2      MET  37   7.374  -6.835   8.703
  280    H    ILE  38           HN       ILE  38  10.728  -5.296   3.466
  281    HA   ILE  38           HA       ILE  38  12.470  -2.863   3.678
  282    HB   ILE  38           HB       ILE  38  12.256  -2.651   1.271
  283   1HG1  ILE  38          HG12      ILE  38  10.039  -4.571   1.756
  284   2HG1  ILE  38          HG11      ILE  38  10.163  -3.283   0.563
  285   1HG2  ILE  38          HG21      ILE  38  13.915  -4.286   2.231
  286   2HG2  ILE  38          HG23      ILE  38  12.731  -5.568   1.980
  287   3HG2  ILE  38          HG22      ILE  38  13.397  -4.700   0.597
  288   1HD1  ILE  38          HD13      ILE  38  11.816  -4.748  -0.693
  289   2HD1  ILE  38          HD12      ILE  38  11.391  -6.049   0.419
  290   3HD1  ILE  38          HD11      ILE  38  10.164  -5.364  -0.646
  291    H    ARG  39           HN       ARG  39  10.923  -1.950   5.205
  292    HA   ARG  39           HA       ARG  39   8.157  -1.537   4.419
  293   1HB   ARG  39           HB2      ARG  39   9.551   0.008   6.589
  294   2HB   ARG  39           HB1      ARG  39   7.878  -0.547   6.529
  295   1HG   ARG  39           HG2      ARG  39   9.493  -2.863   6.308
  296   2HG   ARG  39           HG1      ARG  39  10.184  -1.897   7.611
  297   1HD   ARG  39           HD2      ARG  39   7.329  -1.838   7.835
  298   2HD   ARG  39           HD1      ARG  39   7.843  -3.516   7.687
  299    HE   ARG  39           HE       ARG  39   8.086  -1.951  10.028
  300   1HH1  ARG  39          HH21      ARG  39  10.081  -3.951   8.018
  301   2HH1  ARG  39          HH22      ARG  39  11.295  -4.157   9.231
  302   1HH2  ARG  39          HH11      ARG  39   9.650  -2.250  11.605
  303   2HH2  ARG  39          HH12      ARG  39  11.050  -3.210  11.256
  304    H    ILE  40           HN       ILE  40   7.199   0.721   4.412
  305    HA   ILE  40           HA       ILE  40   9.017   2.851   3.475
  306    HB   ILE  40           HB       ILE  40   6.758   1.743   1.774
  307   1HG1  ILE  40          HG12      ILE  40   9.728   2.003   1.208
  308   2HG1  ILE  40          HG11      ILE  40   8.938   0.504   1.700
  309   1HG2  ILE  40          HG23      ILE  40   6.859   4.222   1.743
  310   2HG2  ILE  40          HG22      ILE  40   8.568   4.136   1.314
  311   3HG2  ILE  40          HG21      ILE  40   7.346   3.532   0.194
  312   1HD1  ILE  40          HD13      ILE  40   7.358   0.893  -0.300
  313   2HD1  ILE  40          HD12      ILE  40   8.547   2.075  -0.848
  314   3HD1  ILE  40          HD11      ILE  40   9.006   0.382  -0.666
  315    H    GLU  41           HN       GLU  41   7.931   4.955   3.523
  316    HA   GLU  41           HA       GLU  41   5.290   4.910   4.931
  317   1HB   GLU  41           HB2      GLU  41   7.336   5.368   6.432
  318   2HB   GLU  41           HB1      GLU  41   7.466   6.905   5.576
  319   1HG   GLU  41           HG2      GLU  41   5.658   7.780   6.632
  320   2HG   GLU  41           HG1      GLU  41   4.739   6.281   6.492
  321    H    ALA  42           HN       ALA  42   3.908   6.648   4.413
  322    HA   ALA  42           HA       ALA  42   4.892   8.664   2.473
  323   1HB   ALA  42           HB2      ALA  42   3.840   6.568   1.323
  324   2HB   ALA  42           HB1      ALA  42   2.310   7.212   1.919
  325   3HB   ALA  42           HB3      ALA  42   3.298   8.167   0.814
  326    H    GLU  43           HN       GLU  43   2.578   9.975   1.933
  327    HA   GLU  43           HA       GLU  43   0.965  10.265   4.344
  328   1HB   GLU  43           HB2      GLU  43   2.831  12.491   3.483
  329   2HB   GLU  43           HB1      GLU  43   1.582  12.636   4.720
  330   1HG   GLU  43           HG2      GLU  43   2.696  10.772   5.978
  331   2HG   GLU  43           HG1      GLU  43   4.002  10.814   4.792
  332    H    LYS  44           HN       LYS  44  -0.935  10.108   3.046
  333    HA   LYS  44           HA       LYS  44  -1.593  12.495   1.505
  334   1HB   LYS  44           HB2      LYS  44  -0.217  10.614   0.097
  335   2HB   LYS  44           HB1      LYS  44  -1.874  10.086  -0.184
  336   1HG   LYS  44           HG2      LYS  44  -2.326  11.861  -1.518
  337   2HG   LYS  44           HG1      LYS  44  -1.546  12.992  -0.412
  338   1HD   LYS  44           HD2      LYS  44   0.227  11.133  -1.925
  339   2HD   LYS  44           HD1      LYS  44  -0.525  12.445  -2.833
  340   1HE   LYS  44           HE2      LYS  44   0.672  13.172  -0.210
  341   2HE   LYS  44           HE1      LYS  44   1.800  12.752  -1.500
  342   1HZ   LYS  44           HZ1      LYS  44  -0.178  14.393  -2.586
  343   2HZ   LYS  44           HZ3      LYS  44   0.355  15.130  -1.153
  344   3HZ   LYS  44           HZ2      LYS  44   1.472  14.742  -2.374
  345    H    ARG  45           HN       ARG  45  -3.556  10.868  -0.112
  346    HA   ARG  45           HA       ARG  45  -5.356   9.662   1.826
  347   1HB   ARG  45           HB2      ARG  45  -7.167  11.361   1.408
  348   2HB   ARG  45           HB1      ARG  45  -5.816  11.959   2.371
  349   1HG   ARG  45           HG2      ARG  45  -4.841  12.668   0.029
  350   2HG   ARG  45           HG1      ARG  45  -6.528  12.576  -0.477
  351   1HD   ARG  45           HD2      ARG  45  -6.283  13.952   2.061
  352   2HD   ARG  45           HD1      ARG  45  -5.282  14.728   0.835
  353    HE   ARG  45           HE       ARG  45  -8.092  14.977   1.025
  354   1HH1  ARG  45          HH21      ARG  45  -5.705  14.179  -1.358
  355   2HH1  ARG  45          HH22      ARG  45  -6.771  14.464  -2.688
  356   1HH2  ARG  45          HH11      ARG  45  -9.461  15.369  -0.709
  357   2HH2  ARG  45          HH12      ARG  45  -8.883  15.142  -2.326
  358    H    LEU  46           HN       LEU  46  -7.334   8.835   0.724
  359    HA   LEU  46           HA       LEU  46  -7.061   8.765  -2.254
  360   1HB   LEU  46           HB2      LEU  46  -7.047   6.561  -0.397
  361   2HB   LEU  46           HB1      LEU  46  -8.446   6.448  -1.450
  362    HG   LEU  46           HG       LEU  46  -5.589   6.800  -2.388
  363   1HD1  LEU  46          HD12      LEU  46  -7.469   4.428  -2.559
  364   2HD1  LEU  46          HD11      LEU  46  -5.857   4.512  -3.271
  365   3HD1  LEU  46          HD13      LEU  46  -6.049   4.538  -1.518
  366   1HD2  LEU  46          HD21      LEU  46  -7.704   7.755  -3.684
  367   2HD2  LEU  46          HD23      LEU  46  -6.390   6.958  -4.546
  368   3HD2  LEU  46          HD22      LEU  46  -7.866   6.069  -4.173
  369    H    GLU  47           HN       GLU  47  -9.397   7.609  -2.965
  370    HA   GLU  47           HA       GLU  47 -11.685   8.263  -1.414
  371   1HB   GLU  47           HB2      GLU  47 -12.397  10.239  -2.981
  372   2HB   GLU  47           HB1      GLU  47 -11.310  10.569  -1.632
  373   1HG   GLU  47           HG2      GLU  47  -9.395  10.608  -3.046
  374   2HG   GLU  47           HG1      GLU  47 -10.278   9.876  -4.387
  375    H    ILE  48           HN       ILE  48 -13.538   7.437  -2.447
  376    HA   ILE  48           HA       ILE  48 -13.590   7.033  -5.344
  377    HB   ILE  48           HB       ILE  48 -14.055   4.420  -4.210
  378   1HG1  ILE  48          HG12      ILE  48 -11.201   5.368  -3.886
  379   2HG1  ILE  48          HG11      ILE  48 -12.339   5.366  -2.538
  380   1HG2  ILE  48          HG21      ILE  48 -12.207   5.637  -6.261
  381   2HG2  ILE  48          HG23      ILE  48 -12.138   3.919  -5.869
  382   3HG2  ILE  48          HG22      ILE  48 -13.621   4.616  -6.523
  383   1HD1  ILE  48          HD11      ILE  48 -12.726   2.859  -3.557
  384   2HD1  ILE  48          HD13      ILE  48 -11.009   3.097  -3.881
  385   3HD1  ILE  48          HD12      ILE  48 -11.622   3.228  -2.232
  386    H    ARG  49           HN       ARG  49 -15.539   4.993  -5.380
  387    HA   ARG  49           HA       ARG  49 -17.820   6.455  -4.144
  388   1HB   ARG  49           HB2      ARG  49 -17.726   4.348  -6.328
  389   2HB   ARG  49           HB1      ARG  49 -19.204   5.099  -5.723
  390   1HG   ARG  49           HG2      ARG  49 -18.533   7.261  -6.507
  391   2HG   ARG  49           HG1      ARG  49 -16.892   6.702  -6.837
  392   1HD   ARG  49           HD2      ARG  49 -18.704   5.004  -8.241
  393   2HD   ARG  49           HD1      ARG  49 -19.152   6.672  -8.588
  394    HE   ARG  49           HE       ARG  49 -16.934   5.321  -9.710
  395   1HH1  ARG  49          HH21      ARG  49 -17.616   8.297  -8.067
  396   2HH1  ARG  49          HH22      ARG  49 -16.158   9.059  -8.600
  397   1HH2  ARG  49          HH11      ARG  49 -15.057   6.324 -10.414
  398   2HH2  ARG  49          HH12      ARG  49 -14.720   7.953  -9.931
  399    H    ARG  50           HN       ARG  50 -19.701   4.462  -3.949
  400    HA   ARG  50           HA       ARG  50 -18.634   2.893  -1.686
  401   1HB   ARG  50           HB2      ARG  50 -20.771   3.925  -1.282
  402   2HB   ARG  50           HB1      ARG  50 -21.429   3.285  -2.789
  403   1HG   ARG  50           HG2      ARG  50 -21.233   1.000  -1.947
  404   2HG   ARG  50           HG1      ARG  50 -20.477   1.587  -0.465
  405   1HD   ARG  50           HD2      ARG  50 -22.527   1.792   0.436
  406   2HD   ARG  50           HD1      ARG  50 -22.874   3.054  -0.748
  407    HE   ARG  50           HE       ARG  50 -23.337   0.717  -2.147
  408   1HH1  ARG  50          HH21      ARG  50 -24.355   2.039   0.879
  409   2HH1  ARG  50          HH22      ARG  50 -25.902   1.261   0.843
  410   1HH2  ARG  50          HH11      ARG  50 -25.347  -0.301  -2.200
  411   2HH2  ARG  50          HH12      ARG  50 -26.463  -0.061  -0.897
  412    H    GLU  51           HN       GLU  51 -20.270   2.307  -4.803
  413    HA   GLU  51           HA       GLU  51 -20.395  -0.485  -4.765
  414   1HB   GLU  51           HB2      GLU  51 -21.113   1.181  -6.619
  415   2HB   GLU  51           HB1      GLU  51 -19.465   0.995  -7.221
  416   1HG   GLU  51           HG2      GLU  51 -19.752  -1.380  -7.500
  417   2HG   GLU  51           HG1      GLU  51 -21.306  -1.345  -6.667
  418    H    THR  52           HN       THR  52 -17.586   1.592  -5.233
  419    HA   THR  52           HA       THR  52 -15.821  -0.529  -6.101
  420    HB   THR  52           HB       THR  52 -14.813   1.876  -4.624
  421    HG1  THR  52           HG1      THR  52 -15.334   2.245  -7.295
  422   1HG2  THR  52          HG23      THR  52 -13.934   0.048  -6.810
  423   2HG2  THR  52          HG22      THR  52 -13.364   1.716  -6.863
  424   3HG2  THR  52          HG21      THR  52 -13.013   0.709  -5.459
  425    H    VAL  53           HN       VAL  53 -16.303   1.093  -2.936
  426    HA   VAL  53           HA       VAL  53 -14.481  -0.385  -1.410
  427    HB   VAL  53           HB       VAL  53 -17.300   0.450  -0.642
  428   1HG1  VAL  53          HG11      VAL  53 -14.925  -0.433   1.021
  429   2HG1  VAL  53          HG13      VAL  53 -16.344   0.373   1.690
  430   3HG1  VAL  53          HG12      VAL  53 -16.506  -1.210   0.928
  431   1HG2  VAL  53          HG21      VAL  53 -14.674   1.831  -0.841
  432   2HG2  VAL  53          HG23      VAL  53 -16.304   2.486  -1.003
  433   3HG2  VAL  53          HG22      VAL  53 -15.630   2.182   0.599
  434    H    GLU  54           HN       GLU  54 -17.481  -1.360  -2.880
  435    HA   GLU  54           HA       GLU  54 -17.740  -3.867  -1.428
  436   1HB   GLU  54           HB2      GLU  54 -19.759  -3.062  -2.376
  437   2HB   GLU  54           HB1      GLU  54 -18.993  -2.716  -3.926
  438   1HG   GLU  54           HG2      GLU  54 -20.328  -4.723  -4.170
  439   2HG   GLU  54           HG1      GLU  54 -18.627  -5.182  -4.225
  440    H    GLU  55           HN       GLU  55 -16.479  -2.890  -4.618
  441    HA   GLU  55           HA       GLU  55 -15.785  -5.443  -5.599
  442   1HB   GLU  55           HB2      GLU  55 -14.344  -2.792  -5.923
  443   2HB   GLU  55           HB1      GLU  55 -14.003  -4.232  -6.883
  444   1HG   GLU  55           HG2      GLU  55 -16.676  -2.808  -6.721
  445   2HG   GLU  55           HG1      GLU  55 -15.556  -2.742  -8.082
  446    H    ASN  56           HN       ASN  56 -13.882  -3.224  -3.549
  447    HA   ASN  56           HA       ASN  56 -11.595  -4.902  -3.284
  448   1HB   ASN  56           HB2      ASN  56 -12.197  -2.405  -2.429
  449   2HB   ASN  56           HB1      ASN  56 -12.418  -3.295  -0.922
  450   1HD2  ASN  56          HD22      ASN  56  -8.847  -4.576  -1.645
  451   2HD2  ASN  56          HD21      ASN  56 -10.336  -5.339  -1.932
  452    H    LEU  57           HN       LEU  57 -14.667  -4.778  -1.527
  453    HA   LEU  57           HA       LEU  57 -14.017  -6.552   0.591
  454   1HB   LEU  57           HB2      LEU  57 -16.109  -5.338   0.627
  455   2HB   LEU  57           HB1      LEU  57 -16.629  -6.095  -0.879
  456    HG   LEU  57           HG       LEU  57 -16.283  -8.335   0.467
  457   1HD1  LEU  57          HD11      LEU  57 -15.341  -6.877   2.416
  458   2HD1  LEU  57          HD13      LEU  57 -17.036  -6.531   2.756
  459   3HD1  LEU  57          HD12      LEU  57 -16.449  -8.193   2.804
  460   1HD2  LEU  57          HD23      LEU  57 -18.446  -6.890  -0.290
  461   2HD2  LEU  57          HD22      LEU  57 -18.567  -8.403   0.608
  462   3HD2  LEU  57          HD21      LEU  57 -18.663  -6.861   1.460
  463    H    GLY  58           HN       GLY  58 -15.593  -7.339  -2.535
  464   1HA   GLY  58           HA2      GLY  58 -15.389 -10.185  -2.142
  465   2HA   GLY  58           HA1      GLY  58 -15.709  -9.386  -3.683
  466    H    ARG  59           HN       ARG  59 -13.063  -7.823  -2.867
  467    HA   ARG  59           HA       ARG  59 -11.254  -9.897  -4.041
  468   1HB   ARG  59           HB2      ARG  59 -11.895  -7.473  -5.124
  469   2HB   ARG  59           HB1      ARG  59 -10.451  -7.057  -4.201
  470   1HG   ARG  59           HG2      ARG  59  -9.177  -8.810  -5.311
  471   2HG   ARG  59           HG1      ARG  59 -10.622  -9.373  -6.150
  472   1HD   ARG  59           HD2      ARG  59 -10.774  -7.335  -7.420
  473   2HD   ARG  59           HD1      ARG  59  -9.520  -6.569  -6.445
  474    HE   ARG  59           HE       ARG  59  -8.270  -8.803  -7.511
  475   1HH1  ARG  59          HH21      ARG  59 -10.058  -6.109  -8.723
  476   2HH1  ARG  59          HH22      ARG  59  -9.223  -6.072 -10.239
  477   1HH2  ARG  59          HH11      ARG  59  -7.176  -8.766  -9.487
  478   2HH2  ARG  59          HH12      ARG  59  -7.595  -7.575 -10.672
  479    H    ALA  60           HN       ALA  60 -11.967  -8.642  -1.153
  480    HA   ALA  60           HA       ALA  60  -9.407  -7.718  -0.186
  481   1HB   ALA  60           HB3      ALA  60 -12.042  -7.999   0.846
  482   2HB   ALA  60           HB2      ALA  60 -10.971  -8.904   1.916
  483   3HB   ALA  60           HB1      ALA  60 -10.668  -7.194   1.605
  484    H    TRP  61           HN       TRP  61 -10.920 -10.862  -0.536
  485    HA   TRP  61           HA       TRP  61  -8.774 -12.177   1.010
  486   1HB   TRP  61           HB2      TRP  61 -11.268 -12.882   0.977
  487   2HB   TRP  61           HB1      TRP  61 -10.899 -13.584  -0.599
  488    HD1  TRP  61           HD1      TRP  61  -8.383 -13.536   2.274
  489    HE1  TRP  61           HE1      TRP  61  -7.883 -15.965   2.979
  490    HE3  TRP  61           HE3      TRP  61 -11.831 -16.004  -0.571
  491    HZ2  TRP  61           HZ2      TRP  61  -8.822 -18.608   2.408
  492    HZ3  TRP  61           HZ3      TRP  61 -12.008 -18.474  -0.471
  493    HH2  TRP  61           HH2      TRP  61 -10.509 -19.777   1.013
  494    H    ASP  62           HN       ASP  62  -7.946 -10.743  -1.331
  495    HA   ASP  62           HA       ASP  62  -7.329 -12.925  -3.264
  496   1HB   ASP  62           HB2      ASP  62  -8.246 -10.968  -4.331
  497   2HB   ASP  62           HB1      ASP  62  -7.126  -9.913  -3.470
  498    H    VAL  63           HN       VAL  63  -5.382 -10.040  -2.683
  499    HA   VAL  63           HA       VAL  63  -3.055 -11.821  -2.179
  500    HB   VAL  63           HB       VAL  63  -2.773  -8.856  -2.437
  501   1HG1  VAL  63          HG11      VAL  63  -1.072 -11.068  -2.377
  502   2HG1  VAL  63          HG13      VAL  63  -1.116 -10.606  -4.079
  503   3HG1  VAL  63          HG12      VAL  63  -0.631  -9.430  -2.858
  504   1HG2  VAL  63          HG22      VAL  63  -3.855 -10.697  -4.526
  505   2HG2  VAL  63          HG21      VAL  63  -4.153  -8.976  -4.285
  506   3HG2  VAL  63          HG23      VAL  63  -2.650  -9.514  -5.034
  507    H    GLN  64           HN       GLN  64  -5.333 -10.298  -0.358
  508    HA   GLN  64           HA       GLN  64  -3.976  -8.815   1.597
  509   1HB   GLN  64           HB2      GLN  64  -6.449 -10.465   1.547
  510   2HB   GLN  64           HB1      GLN  64  -5.786 -10.094   3.140
  511   1HG   GLN  64           HG2      GLN  64  -7.443  -8.389   2.260
  512   2HG   GLN  64           HG1      GLN  64  -5.872  -7.727   2.711
  513   1HE2  GLN  64          HE22      GLN  64  -4.972  -6.870  -0.627
  514   2HE2  GLN  64          HE21      GLN  64  -4.395  -7.102   0.953
  515    H    GLU  65           HN       GLU  65  -3.955 -12.273   1.034
  516    HA   GLU  65           HA       GLU  65  -2.934 -13.091   3.588
  517   1HB   GLU  65           HB2      GLU  65  -2.583 -14.299   0.827
  518   2HB   GLU  65           HB1      GLU  65  -2.078 -15.089   2.321
  519   1HG   GLU  65           HG2      GLU  65  -4.322 -15.231   3.121
  520   2HG   GLU  65           HG1      GLU  65  -4.908 -14.124   1.879
  521    H    MET  66           HN       MET  66  -1.336 -12.095   0.574
  522    HA   MET  66           HA       MET  66   1.350 -12.498   1.486
  523   1HB   MET  66           HB2      MET  66   0.010 -11.318  -0.805
  524   2HB   MET  66           HB1      MET  66   1.394 -10.345  -0.307
  525   1HG   MET  66           HG2      MET  66   1.723 -13.318  -0.451
  526   2HG   MET  66           HG1      MET  66   1.709 -12.401  -1.958
  527   1HE   MET  66           HE3      MET  66   4.113 -13.982  -1.566
  528   2HE   MET  66           HE2      MET  66   5.404 -13.430  -0.502
  529   3HE   MET  66           HE1      MET  66   3.922 -14.085   0.190
  530    H    LEU  67           HN       LEU  67  -1.004 -10.280   2.467
  531    HA   LEU  67           HA       LEU  67   0.391  -7.887   2.926
  532   1HB   LEU  67           HB2      LEU  67  -1.955  -7.968   3.406
  533   2HB   LEU  67           HB1      LEU  67  -1.737  -9.281   4.563
  534    HG   LEU  67           HG       LEU  67  -0.167  -6.828   5.108
  535   1HD1  LEU  67          HD13      LEU  67  -3.188  -6.929   5.354
  536   2HD1  LEU  67          HD12      LEU  67  -2.168  -5.728   6.145
  537   3HD1  LEU  67          HD11      LEU  67  -2.248  -5.796   4.384
  538   1HD2  LEU  67          HD21      LEU  67  -0.690  -9.111   6.460
  539   2HD2  LEU  67          HD23      LEU  67  -0.329  -7.587   7.271
  540   3HD2  LEU  67          HD22      LEU  67  -2.003  -8.105   7.072
  541    H    VAL  68           HN       VAL  68   0.915 -10.986   4.349
  542    HA   VAL  68           HA       VAL  68   2.222  -9.950   6.758
  543    HB   VAL  68           HB       VAL  68   2.268 -12.735   5.566
  544   1HG1  VAL  68          HG12      VAL  68   3.641 -11.521   7.780
  545   2HG1  VAL  68          HG11      VAL  68   2.494 -12.711   8.396
  546   3HG1  VAL  68          HG13      VAL  68   3.719 -13.192   7.222
  547   1HG2  VAL  68          HG21      VAL  68  -0.010 -11.703   6.187
  548   2HG2  VAL  68          HG23      VAL  68   0.395 -13.248   6.936
  549   3HG2  VAL  68          HG22      VAL  68   0.558 -11.751   7.856
  550    H    ASP  69           HN       ASP  69   3.205 -11.160   3.582
  551    HA   ASP  69           HA       ASP  69   6.075 -10.823   4.296
  552   1HB   ASP  69           HB2      ASP  69   4.748 -11.841   1.789
  553   2HB   ASP  69           HB1      ASP  69   6.480 -11.796   2.084
  554    H    VAL  70           HN       VAL  70   5.802 -10.553   1.061
  555    HA   VAL  70           HA       VAL  70   6.937  -8.183   0.821
  556    HB   VAL  70           HB       VAL  70   6.206 -10.208  -0.822
  557   1HG1  VAL  70          HG11      VAL  70   4.663  -7.739  -1.593
  558   2HG1  VAL  70          HG13      VAL  70   5.199  -8.900  -2.800
  559   3HG1  VAL  70          HG12      VAL  70   4.107  -9.403  -1.511
  560   1HG2  VAL  70          HG21      VAL  70   7.795  -7.764  -0.942
  561   2HG2  VAL  70          HG23      VAL  70   8.175  -9.379  -1.519
  562   3HG2  VAL  70          HG22      VAL  70   7.239  -8.290  -2.528
  563    H    ILE  71           HN       ILE  71   3.799  -8.284   1.915
  564    HA   ILE  71           HA       ILE  71   3.543  -5.503   0.875
  565    HB   ILE  71           HB       ILE  71   0.933  -6.718   1.252
  566   1HG1  ILE  71          HG12      ILE  71   2.836  -7.954  -0.769
  567   2HG1  ILE  71          HG11      ILE  71   1.997  -8.793   0.537
  568   1HG2  ILE  71          HG23      ILE  71   2.140  -4.686  -0.190
  569   2HG2  ILE  71          HG22      ILE  71   1.781  -5.888  -1.429
  570   3HG2  ILE  71          HG21      ILE  71   0.485  -5.253  -0.415
  571   1HD1  ILE  71          HD13      ILE  71   0.120  -7.307  -1.101
  572   2HD1  ILE  71          HD12      ILE  71   1.066  -8.422  -2.088
  573   3HD1  ILE  71          HD11      ILE  71   0.138  -9.027  -0.715
  574    H    THR  72           HN       THR  72   2.693  -3.972   2.204
  575    HA   THR  72           HA       THR  72   1.423  -4.663   4.750
  576    HB   THR  72           HB       THR  72   3.477  -2.861   5.497
  577    HG1  THR  72           HG1      THR  72   4.578  -5.250   4.506
  578   1HG2  THR  72          HG22      THR  72   2.984  -5.787   6.095
  579   2HG2  THR  72          HG21      THR  72   4.113  -4.768   6.988
  580   3HG2  THR  72          HG23      THR  72   2.387  -4.405   7.016
  581    H    ILE  73           HN       ILE  73   0.314  -2.838   5.636
  582    HA   ILE  73           HA       ILE  73   0.503  -0.308   4.093
  583    HB   ILE  73           HB       ILE  73  -2.130  -0.356   4.417
  584   1HG1  ILE  73          HG12      ILE  73  -2.881  -2.746   3.859
  585   2HG1  ILE  73          HG11      ILE  73  -1.292  -3.260   4.422
  586   1HG2  ILE  73          HG21      ILE  73  -0.782  -0.212   2.282
  587   2HG2  ILE  73          HG23      ILE  73  -0.820  -1.975   2.221
  588   3HG2  ILE  73          HG22      ILE  73  -2.322  -1.056   2.121
  589   1HD1  ILE  73          HD12      ILE  73  -2.298  -1.453   6.365
  590   2HD1  ILE  73          HD11      ILE  73  -3.609  -2.568   5.981
  591   3HD1  ILE  73          HD13      ILE  73  -2.056  -3.192   6.538
  592    H    GLY  74           HN       GLY  74  -1.311   1.227   5.307
  593   1HA   GLY  74           HA2      GLY  74  -1.867   1.002   8.023
  594   2HA   GLY  74           HA1      GLY  74  -0.214   1.613   7.956
  595    H    GLY  75           HN       GLY  75  -2.968   2.308   5.817
  596   1HA   GLY  75           HA2      GLY  75  -2.444   5.188   6.248
  597   2HA   GLY  75           HA1      GLY  75  -3.453   4.510   4.974
  598    H    ASN  76           HN       ASN  76  -5.614   4.381   5.326
  599    HA   ASN  76           HA       ASN  76  -6.851   4.065   7.881
  600   1HB   ASN  76           HB2      ASN  76  -6.046   6.767   7.202
  601   2HB   ASN  76           HB1      ASN  76  -7.800   6.659   7.359
  602   1HD2  ASN  76          HD22      ASN  76  -7.707   6.290  10.865
  603   2HD2  ASN  76          HD21      ASN  76  -8.659   6.461   9.469
  604    H    VAL  77           HN       VAL  77  -9.260   4.466   7.711
  605    HA   VAL  77           HA       VAL  77 -10.208   4.418   4.880
  606    HB   VAL  77           HB       VAL  77 -10.135   2.093   5.659
  607   1HG1  VAL  77          HG12      VAL  77 -10.473   3.082   8.145
  608   2HG1  VAL  77          HG11      VAL  77 -12.136   2.607   7.803
  609   3HG1  VAL  77          HG13      VAL  77 -10.844   1.408   7.734
  610   1HG2  VAL  77          HG23      VAL  77 -12.585   3.531   5.003
  611   2HG2  VAL  77          HG22      VAL  77 -12.031   1.956   4.433
  612   3HG2  VAL  77          HG21      VAL  77 -12.921   2.082   5.950
  613    H    ASP  78           HN       ASP  78 -11.017   6.568   5.122
  614    HA   ASP  78           HA       ASP  78 -13.031   6.932   7.299
  615   1HB   ASP  78           HB2      ASP  78 -12.425   9.296   5.680
  616   2HB   ASP  78           HB1      ASP  78 -12.383   9.089   7.425
  617    H    GLU  79           HN       GLU  79 -15.168   7.289   6.816
  618    HA   GLU  79           HA       GLU  79 -15.889   7.389   3.912
  619   1HB   GLU  79           HB2      GLU  79 -17.814   6.037   4.369
  620   2HB   GLU  79           HB1      GLU  79 -16.460   5.241   5.171
  621   1HG   GLU  79           HG2      GLU  79 -17.088   6.425   7.290
  622   2HG   GLU  79           HG1      GLU  79 -18.518   7.050   6.468
  623    H    ASP  80           HN       ASP  80 -17.218   9.067   3.315
  624    HA   ASP  80           HA       ASP  80 -17.986  10.991   5.424
  625   1HB   ASP  80           HB2      ASP  80 -16.959  11.991   3.502
  626   2HB   ASP  80           HB1      ASP  80 -18.015  11.109   2.398
  627    H    ASP  81           HN       ASP  81 -19.945  10.727   2.548
  628    HA   ASP  81           HA       ASP  81 -22.240   9.919   4.280
  629   1HB   ASP  81           HB2      ASP  81 -21.944  11.707   1.909
  630   2HB   ASP  81           HB1      ASP  81 -23.451  10.802   2.052
  631    H    ASP  82           HN       ASP  82 -21.254   9.586   0.851
  632    HA   ASP  82           HA       ASP  82 -22.139   6.731   1.004
  633   1HB   ASP  82           HB2      ASP  82 -22.728   7.047  -1.475
  634   2HB   ASP  82           HB1      ASP  82 -23.808   7.823  -0.316
  635    H    ARG  83           HN       ARG  83 -20.050   9.144  -0.506
  636    HA   ARG  83           HA       ARG  83 -18.441   7.319  -2.025
  637   1HB   ARG  83           HB2      ARG  83 -18.296  10.143  -1.143
  638   2HB   ARG  83           HB1      ARG  83 -16.743   9.374  -1.453
  639   1HG   ARG  83           HG2      ARG  83 -17.097   9.784  -3.644
  640   2HG   ARG  83           HG1      ARG  83 -18.360   8.553  -3.582
  641   1HD   ARG  83           HD2      ARG  83 -19.735  10.631  -2.553
  642   2HD   ARG  83           HD1      ARG  83 -18.604  11.517  -3.578
  643    HE   ARG  83           HE       ARG  83 -19.546   9.543  -5.252
  644   1HH1  ARG  83          HH21      ARG  83 -20.969  11.912  -3.178
  645   2HH1  ARG  83          HH22      ARG  83 -22.385  12.102  -4.156
  646   1HH2  ARG  83          HH11      ARG  83 -21.382   9.790  -6.537
  647   2HH2  ARG  83          HH12      ARG  83 -22.619  10.903  -6.057
  648    H    PHE  84           HN       PHE  84 -15.863   7.519  -1.304
  649    HA   PHE  84           HA       PHE  84 -15.657   6.834   1.577
  650   1HB   PHE  84           HB2      PHE  84 -15.458   4.943  -0.630
  651   2HB   PHE  84           HB1      PHE  84 -13.965   4.998   0.308
  652    HD1  PHE  84           HD1      PHE  84 -17.636   4.470   0.516
  653    HD2  PHE  84           HD2      PHE  84 -13.867   4.169   2.555
  654    HE1  PHE  84           HE1      PHE  84 -18.716   3.150   2.318
  655    HE2  PHE  84           HE2      PHE  84 -14.946   2.850   4.355
  656    HZ   PHE  84           HZ       PHE  84 -17.370   2.341   4.238
  657    H    VAL  85           HN       VAL  85 -13.283   6.703   2.214
  658    HA   VAL  85           HA       VAL  85 -11.406   8.060   0.402
  659    HB   VAL  85           HB       VAL  85 -12.914   9.755   1.839
  660   1HG1  VAL  85          HG11      VAL  85 -11.842   8.411   3.915
  661   2HG1  VAL  85          HG13      VAL  85 -10.573   9.612   3.677
  662   3HG1  VAL  85          HG12      VAL  85 -12.225  10.130   4.007
  663   1HG2  VAL  85          HG23      VAL  85  -9.915   9.950   1.445
  664   2HG2  VAL  85          HG22      VAL  85 -11.156  10.440   0.291
  665   3HG2  VAL  85          HG21      VAL  85 -10.966  11.317   1.808
  666    H    LEU  86           HN       LEU  86  -9.212   8.141   1.391
  667    HA   LEU  86           HA       LEU  86  -8.650   6.879   3.887
  668   1HB   LEU  86           HB2      LEU  86  -7.593   4.829   2.810
  669   2HB   LEU  86           HB1      LEU  86  -9.342   4.839   2.915
  670    HG   LEU  86           HG       LEU  86  -8.593   6.168   0.530
  671   1HD1  LEU  86          HD13      LEU  86  -7.155   3.568   1.078
  672   2HD1  LEU  86          HD12      LEU  86  -7.605   4.003  -0.570
  673   3HD1  LEU  86          HD11      LEU  86  -6.510   5.033   0.345
  674   1HD2  LEU  86          HD23      LEU  86 -10.230   3.910   1.438
  675   2HD2  LEU  86          HD22      LEU  86 -10.601   5.168   0.259
  676   3HD2  LEU  86          HD21      LEU  86  -9.661   3.756  -0.225
  677    H    GLU  87           HN       GLU  87  -6.321   5.685   2.006
  678    HA   GLU  87           HA       GLU  87  -4.636   8.122   2.194
  679   1HB   GLU  87           HB2      GLU  87  -2.777   6.652   2.421
  680   2HB   GLU  87           HB1      GLU  87  -4.011   6.085   3.525
  681   1HG   GLU  87           HG2      GLU  87  -4.676   4.804   1.189
  682   2HG   GLU  87           HG1      GLU  87  -2.914   4.815   1.120
  683    H    TRP  88           HN       TRP  88  -2.885   8.229   0.536
  684    HA   TRP  88           HA       TRP  88  -3.872   7.245  -2.107
  685   1HB   TRP  88           HB2      TRP  88  -3.285   9.793  -1.511
  686   2HB   TRP  88           HB1      TRP  88  -1.678   9.253  -1.987
  687    HD1  TRP  88           HD1      TRP  88  -5.119   8.259  -3.431
  688    HE1  TRP  88           HE1      TRP  88  -5.089   8.720  -5.969
  689    HE3  TRP  88           HE3      TRP  88  -0.485  10.364  -3.896
  690    HZ2  TRP  88           HZ2      TRP  88  -3.333   9.832  -7.934
  691    HZ3  TRP  88           HZ3      TRP  88   0.339  11.113  -6.110
  692    HH2  TRP  88           HH2      TRP  88  -1.078  10.851  -8.128
  693    H    LYS  89           HN       LYS  89  -2.635   5.819  -3.259
  694    HA   LYS  89           HA       LYS  89  -0.308   4.649  -1.930
  695   1HB   LYS  89           HB2      LYS  89  -1.090   4.021  -4.764
  696   2HB   LYS  89           HB1      LYS  89  -0.439   2.946  -3.526
  697   1HG   LYS  89           HG2      LYS  89  -2.544   2.305  -3.057
  698   2HG   LYS  89           HG1      LYS  89  -2.866   3.942  -2.483
  699   1HD   LYS  89           HD2      LYS  89  -3.916   4.568  -4.429
  700   2HD   LYS  89           HD1      LYS  89  -2.916   3.514  -5.429
  701   1HE   LYS  89           HE2      LYS  89  -4.136   1.544  -4.444
  702   2HE   LYS  89           HE1      LYS  89  -5.223   2.684  -3.651
  703   1HZ   LYS  89           HZ1      LYS  89  -5.119   3.513  -6.255
  704   2HZ   LYS  89           HZ3      LYS  89  -5.180   1.821  -6.367
  705   3HZ   LYS  89           HZ2      LYS  89  -6.391   2.660  -5.520
  706    H    ASN  90           HN       ASN  90   1.489   5.958  -1.981
  707    HA   ASN  90           HA       ASN  90   2.241   7.143  -4.619
  708   1HB   ASN  90           HB2      ASN  90   1.967   8.781  -2.789
  709   2HB   ASN  90           HB1      ASN  90   3.157   7.903  -1.828
  710   1HD2  ASN  90          HD22      ASN  90   5.917   9.357  -3.469
  711   2HD2  ASN  90          HD21      ASN  90   5.364   8.341  -2.227
   
  No H/Q in entry =         711
  Start of MODEL   11
    1   1H    MET   1           HT3      MET   1  -0.844  21.904   4.297
    2   2H    MET   1           HT2      MET   1  -1.264  21.230   5.799
    3   3H    MET   1           HT1      MET   1  -0.733  22.841   5.707
    4    HA   MET   1           HA       MET   1   1.463  22.226   5.218
    5   1HB   MET   1           HB2      MET   1   0.099  20.680   7.394
    6   2HB   MET   1           HB1      MET   1   1.796  20.336   7.050
    7   1HG   MET   1           HG2      MET   1   1.888  22.047   8.678
    8   2HG   MET   1           HG1      MET   1   2.128  22.902   7.154
    9   1HE   MET   1           HE2      MET   1   1.864  24.781   8.293
   10   2HE   MET   1           HE1      MET   1   0.371  25.701   8.131
   11   3HE   MET   1           HE3      MET   1   0.779  24.934   9.672
   12    H    SER   2           HN       SER   2   0.717  21.218   2.961
   13    HA   SER   2           HA       SER   2   1.298  19.530   1.424
   14   1HB   SER   2           HB2      SER   2   3.032  19.096   3.553
   15   2HB   SER   2           HB1      SER   2   2.233  17.539   3.353
   16    HG   SER   2           HG       SER   2   2.713  17.879   1.028
   17    H    SER   3           HN       SER   3   1.113  16.720   1.787
   18    HA   SER   3           HA       SER   3  -1.297  15.974   3.187
   19   1HB   SER   3           HB2      SER   3  -1.921  15.638   0.350
   20   2HB   SER   3           HB1      SER   3  -2.923  16.291   1.644
   21    HG   SER   3           HG       SER   3  -2.199  17.752  -0.142
   22    H    LEU   4           HN       LEU   4  -0.487  13.952   3.749
   23    HA   LEU   4           HA       LEU   4  -0.063  12.059   1.600
   24   1HB   LEU   4           HB2      LEU   4   2.180  11.394   2.645
   25   2HB   LEU   4           HB1      LEU   4   2.151  12.779   1.568
   26    HG   LEU   4           HG       LEU   4   3.445  13.098   3.739
   27   1HD1  LEU   4          HD11      LEU   4   1.996  14.872   2.264
   28   2HD1  LEU   4          HD13      LEU   4   1.277  15.105   3.858
   29   3HD1  LEU   4          HD12      LEU   4   3.012  15.329   3.632
   30   1HD2  LEU   4          HD23      LEU   4   1.572  11.852   5.038
   31   2HD2  LEU   4          HD22      LEU   4   2.308  13.263   5.794
   32   3HD2  LEU   4          HD21      LEU   4   0.732  13.402   5.017
   33    H    VAL   5           HN       VAL   5   0.224   9.865   2.348
   34    HA   VAL   5           HA       VAL   5  -1.003   9.453   5.072
   35    HB   VAL   5           HB       VAL   5  -1.224   7.886   2.494
   36   1HG1  VAL   5          HG12      VAL   5  -2.124   7.142   5.281
   37   2HG1  VAL   5          HG11      VAL   5  -2.693   6.342   3.817
   38   3HG1  VAL   5          HG13      VAL   5  -0.989   6.259   4.263
   39   1HG2  VAL   5          HG21      VAL   5  -2.844   9.848   3.896
   40   2HG2  VAL   5          HG23      VAL   5  -3.047   9.194   2.270
   41   3HG2  VAL   5          HG22      VAL   5  -3.727   8.340   3.656
   42    H    TYR   6           HN       TYR   6  -0.357   7.178   5.952
   43    HA   TYR   6           HA       TYR   6   2.323   6.331   5.028
   44   1HB   TYR   6           HB2      TYR   6   2.974   7.961   6.643
   45   2HB   TYR   6           HB1      TYR   6   1.730   7.435   7.770
   46    HD1  TYR   6           HD1      TYR   6   4.809   6.262   6.012
   47    HD2  TYR   6           HD2      TYR   6   2.191   5.779   9.382
   48    HE1  TYR   6           HE1      TYR   6   6.400   4.647   7.016
   49    HE2  TYR   6           HE2      TYR   6   3.780   4.163  10.386
   50    HH   TYR   6           HH       TYR   6   6.586   3.862   9.996
   51    H    ILE   7           HN       ILE   7   2.631   4.162   5.355
   52    HA   ILE   7           HA       ILE   7   1.091   2.637   7.326
   53    HB   ILE   7           HB       ILE   7  -0.122   1.276   5.727
   54   1HG1  ILE   7          HG12      ILE   7   1.556   2.802   3.735
   55   2HG1  ILE   7          HG11      ILE   7   1.374   1.057   3.909
   56   1HG2  ILE   7          HG23      ILE   7  -1.142   3.486   6.335
   57   2HG2  ILE   7          HG22      ILE   7  -0.423   4.176   4.881
   58   3HG2  ILE   7          HG21      ILE   7  -1.643   2.911   4.746
   59   1HD1  ILE   7          HD12      ILE   7  -1.192   1.722   3.400
   60   2HD1  ILE   7          HD11      ILE   7  -0.377   3.019   2.526
   61   3HD1  ILE   7          HD13      ILE   7  -0.036   1.335   2.125
   62    H    ALA   8           HN       ALA   8   1.933   0.322   7.321
   63    HA   ALA   8           HA       ALA   8   4.071  -0.311   5.453
   64   1HB   ALA   8           HB3      ALA   8   5.105   1.395   7.049
   65   2HB   ALA   8           HB2      ALA   8   4.979   0.154   8.294
   66   3HB   ALA   8           HB1      ALA   8   5.968  -0.131   6.863
   67    H    PHE   9           HN       PHE   9   5.142  -2.380   6.032
   68    HA   PHE   9           HA       PHE   9   3.740  -4.048   8.013
   69   1HB   PHE   9           HB2      PHE   9   3.499  -4.265   5.048
   70   2HB   PHE   9           HB1      PHE   9   3.713  -5.767   5.937
   71    HD1  PHE   9           HD1      PHE   9   1.686  -2.613   6.020
   72    HD2  PHE   9           HD2      PHE   9   1.842  -6.823   6.857
   73    HE1  PHE   9           HE1      PHE   9  -0.711  -2.575   6.652
   74    HE2  PHE   9           HE2      PHE   9  -0.556  -6.785   7.489
   75    HZ   PHE   9           HZ       PHE   9  -1.832  -4.661   7.387
   76    H    GLN  10           HN       GLN  10   4.911  -6.173   8.222
   77    HA   GLN  10           HA       GLN  10   7.725  -5.981   7.231
   78   1HB   GLN  10           HB2      GLN  10   7.198  -5.584   9.810
   79   2HB   GLN  10           HB1      GLN  10   7.130  -7.346   9.833
   80   1HG   GLN  10           HG2      GLN  10   9.449  -5.690   8.790
   81   2HG   GLN  10           HG1      GLN  10   9.411  -6.529  10.339
   82   1HE2  GLN  10          HE22      GLN  10   9.689  -8.780   6.898
   83   2HE2  GLN  10          HE21      GLN  10   8.988  -7.244   6.825
   84    H    ASP  11           HN       ASP  11   6.934  -7.389   5.486
   85    HA   ASP  11           HA       ASP  11   6.251 -10.150   6.389
   86   1HB   ASP  11           HB2      ASP  11   5.566 -10.444   3.961
   87   2HB   ASP  11           HB1      ASP  11   4.602  -9.283   4.876
   88    H    ASN  12           HN       ASN  12   7.168 -11.916   4.975
   89    HA   ASN  12           HA       ASN  12  10.049 -11.352   4.467
   90   1HB   ASN  12           HB2      ASN  12   8.864 -13.346   5.932
   91   2HB   ASN  12           HB1      ASN  12   9.101 -14.144   4.378
   92   1HD2  ASN  12          HD22      ASN  12  12.756 -13.357   4.594
   93   2HD2  ASN  12          HD21      ASN  12  11.511 -12.943   3.517
   94    H    ASP  13           HN       ASP  13   7.319 -11.304   2.717
   95    HA   ASP  13           HA       ASP  13   8.114 -12.998   0.479
   96   1HB   ASP  13           HB2      ASP  13   5.939 -10.944   0.906
   97   2HB   ASP  13           HB1      ASP  13   6.225 -11.676  -0.673
   98    H    ASN  14           HN       ASN  14  10.004 -12.328  -0.489
   99    HA   ASN  14           HA       ASN  14  10.798  -9.573  -0.719
  100   1HB   ASN  14           HB2      ASN  14  12.487 -11.305  -0.874
  101   2HB   ASN  14           HB1      ASN  14  11.658 -12.056  -2.238
  102   1HD2  ASN  14          HD22      ASN  14  14.232  -9.035  -2.919
  103   2HD2  ASN  14          HD21      ASN  14  14.051  -9.751  -1.391
  104    H    ALA  15           HN       ALA  15   8.376 -11.341  -2.269
  105    HA   ALA  15           HA       ALA  15   8.498 -10.356  -4.928
  106   1HB   ALA  15           HB2      ALA  15   6.896 -12.114  -4.053
  107   2HB   ALA  15           HB1      ALA  15   5.966 -10.806  -3.321
  108   3HB   ALA  15           HB3      ALA  15   6.144 -10.888  -5.074
  109    H    ARG  16           HN       ARG  16   7.145  -8.974  -1.963
  110    HA   ARG  16           HA       ARG  16   6.022  -6.629  -3.182
  111   1HB   ARG  16           HB2      ARG  16   5.242  -7.035  -1.004
  112   2HB   ARG  16           HB1      ARG  16   6.856  -7.386  -0.388
  113   1HG   ARG  16           HG2      ARG  16   7.327  -5.191  -0.003
  114   2HG   ARG  16           HG1      ARG  16   6.506  -4.658  -1.470
  115   1HD   ARG  16           HD2      ARG  16   4.422  -5.605   0.083
  116   2HD   ARG  16           HD1      ARG  16   5.482  -4.850   1.271
  117    HE   ARG  16           HE       ARG  16   5.318  -2.978  -0.773
  118   1HH1  ARG  16          HH21      ARG  16   3.099  -4.748   1.196
  119   2HH1  ARG  16          HH22      ARG  16   1.890  -3.509   1.172
  120   1HH2  ARG  16          HH11      ARG  16   3.748  -1.358  -0.813
  121   2HH2  ARG  16          HH12      ARG  16   2.257  -1.591   0.037
  122    H    TYR  17           HN       TYR  17   9.230  -7.426  -1.909
  123    HA   TYR  17           HA       TYR  17  10.373  -4.834  -1.941
  124   1HB   TYR  17           HB2      TYR  17  11.321  -7.301  -1.332
  125   2HB   TYR  17           HB1      TYR  17  12.083  -7.063  -2.905
  126    HD1  TYR  17           HD2      TYR  17  12.198  -3.990  -2.722
  127    HD2  TYR  17           HD1      TYR  17  13.332  -7.107   0.006
  128    HE1  TYR  17           HE2      TYR  17  13.870  -2.478  -1.688
  129    HE2  TYR  17           HE1      TYR  17  15.004  -5.595   1.041
  130    HH   TYR  17           HH       TYR  17  16.157  -3.640   0.723
  131    H    VAL  18           HN       VAL  18  10.168  -7.270  -4.547
  132    HA   VAL  18           HA       VAL  18  11.514  -5.792  -6.554
  133    HB   VAL  18           HB       VAL  18   9.096  -7.582  -6.954
  134   1HG1  VAL  18          HG13      VAL  18  11.306  -6.551  -8.729
  135   2HG1  VAL  18          HG12      VAL  18  10.442  -8.038  -9.122
  136   3HG1  VAL  18          HG11      VAL  18   9.565  -6.513  -9.006
  137   1HG2  VAL  18          HG22      VAL  18  12.039  -8.203  -6.601
  138   2HG2  VAL  18          HG21      VAL  18  10.684  -8.837  -5.667
  139   3HG2  VAL  18          HG23      VAL  18  10.910  -9.336  -7.343
  140    H    VAL  19           HN       VAL  19   7.983  -5.987  -5.979
  141    HA   VAL  19           HA       VAL  19   7.232  -3.936  -7.778
  142    HB   VAL  19           HB       VAL  19   5.931  -4.503  -5.099
  143   1HG1  VAL  19          HG13      VAL  19   5.336  -2.642  -7.086
  144   2HG1  VAL  19          HG12      VAL  19   4.242  -3.984  -7.424
  145   3HG1  VAL  19          HG11      VAL  19   4.230  -3.214  -5.837
  146   1HG2  VAL  19          HG22      VAL  19   5.682  -5.933  -7.762
  147   2HG2  VAL  19          HG21      VAL  19   6.244  -6.621  -6.239
  148   3HG2  VAL  19          HG23      VAL  19   4.556  -6.147  -6.422
  149    H    GLU  20           HN       GLU  20   8.832  -3.786  -4.721
  150    HA   GLU  20           HA       GLU  20   8.177  -1.020  -4.119
  151   1HB   GLU  20           HB2      GLU  20   9.038  -2.896  -2.522
  152   2HB   GLU  20           HB1      GLU  20  10.636  -2.434  -3.111
  153   1HG   GLU  20           HG2      GLU  20  10.579  -0.385  -2.078
  154   2HG   GLU  20           HG1      GLU  20   8.833  -0.219  -2.273
  155    H    ALA  21           HN       ALA  21  10.842  -2.688  -5.766
  156    HA   ALA  21           HA       ALA  21  12.440  -0.293  -6.079
  157   1HB   ALA  21           HB1      ALA  21  12.771  -3.046  -6.595
  158   2HB   ALA  21           HB3      ALA  21  12.910  -2.250  -8.162
  159   3HB   ALA  21           HB2      ALA  21  13.966  -1.771  -6.833
  160    H    ILE  22           HN       ILE  22   9.808  -1.762  -7.856
  161    HA   ILE  22           HA       ILE  22  10.227  -0.168 -10.260
  162    HB   ILE  22           HB       ILE  22   7.794  -1.704  -9.292
  163   1HG1  ILE  22          HG12      ILE  22   9.901  -3.028  -9.715
  164   2HG1  ILE  22          HG11      ILE  22   8.561  -3.457 -10.779
  165   1HG2  ILE  22          HG21      ILE  22   8.325   0.002 -11.647
  166   2HG2  ILE  22          HG23      ILE  22   7.640  -1.579 -12.020
  167   3HG2  ILE  22          HG22      ILE  22   6.787  -0.484 -10.933
  168   1HD1  ILE  22          HD13      ILE  22  10.693  -1.447 -11.540
  169   2HD1  ILE  22          HD12      ILE  22  10.797  -3.160 -11.944
  170   3HD1  ILE  22          HD11      ILE  22   9.484  -2.179 -12.594
  171    H    ILE  23           HN       ILE  23   8.132   0.036  -7.386
  172    HA   ILE  23           HA       ILE  23   6.644   2.318  -8.230
  173    HB   ILE  23           HB       ILE  23   6.436   0.714  -6.100
  174   1HG1  ILE  23          HG12      ILE  23   5.603   3.495  -5.486
  175   2HG1  ILE  23          HG11      ILE  23   5.064   2.850  -7.038
  176   1HG2  ILE  23          HG22      ILE  23   7.931   3.137  -5.057
  177   2HG2  ILE  23          HG21      ILE  23   7.066   1.983  -4.043
  178   3HG2  ILE  23          HG23      ILE  23   8.463   1.459  -4.979
  179   1HD1  ILE  23          HD12      ILE  23   4.739   0.818  -5.040
  180   2HD1  ILE  23          HD11      ILE  23   3.989   2.305  -4.459
  181   3HD1  ILE  23          HD13      ILE  23   3.495   1.613  -6.005
  182    H    GLN  24           HN       GLN  24   9.689   2.068  -6.382
  183    HA   GLN  24           HA       GLN  24  10.050   4.928  -6.185
  184   1HB   GLN  24           HB2      GLN  24  11.488   2.549  -5.407
  185   2HB   GLN  24           HB1      GLN  24  12.592   3.657  -6.223
  186   1HG   GLN  24           HG2      GLN  24  11.233   5.406  -4.654
  187   2HG   GLN  24           HG1      GLN  24  11.176   3.966  -3.638
  188   1HE2  GLN  24          HE22      GLN  24  14.675   5.963  -4.091
  189   2HE2  GLN  24          HE21      GLN  24  13.250   6.493  -4.848
  190    H    ASP  25           HN       ASP  25  10.832   2.475  -8.583
  191    HA   ASP  25           HA       ASP  25  12.684   3.828 -10.194
  192   1HB   ASP  25           HB2      ASP  25  10.923   1.614 -10.501
  193   2HB   ASP  25           HB1      ASP  25  10.659   2.673 -11.887
  194    H    ASN  26           HN       ASN  26   9.272   4.410  -9.680
  195    HA   ASN  26           HA       ASN  26   9.040   6.352 -11.858
  196   1HB   ASN  26           HB2      ASN  26   7.142   6.287  -9.543
  197   2HB   ASN  26           HB1      ASN  26   6.802   6.509 -11.260
  198   1HD2  ASN  26          HD22      ASN  26   7.588   2.786 -11.610
  199   2HD2  ASN  26          HD21      ASN  26   8.481   4.159 -12.056
  200    HA   PRO  27           HA       PRO  27  10.668   9.520  -9.284
  201   1HB   PRO  27           HB2      PRO  27  10.076  11.557 -11.229
  202   2HB   PRO  27           HB1      PRO  27  11.638  10.804 -10.881
  203   1HG   PRO  27           HG2      PRO  27   9.990  10.414 -13.198
  204   2HG   PRO  27           HG1      PRO  27  11.529   9.629 -12.821
  205   1HD   PRO  27           HD2      PRO  27   8.883   8.476 -12.756
  206   2HD   PRO  27           HD1      PRO  27  10.433   7.679 -12.430
  207    H    HIS  28           HN       HIS  28   7.987   8.804  -8.707
  208    HA   HIS  28           HA       HIS  28   6.912  11.444  -7.933
  209   1HB   HIS  28           HB2      HIS  28   5.951  10.526 -10.203
  210   2HB   HIS  28           HB1      HIS  28   5.027   9.457  -9.150
  211    HD1  HIS  28           HD1      HIS  28   3.460  10.651  -7.345
  212    HD2  HIS  28           HD2      HIS  28   5.024  13.169 -10.277
  213    HE1  HIS  28           HE1      HIS  28   2.106  12.790  -7.249
  214    H    ALA  29           HN       ALA  29   6.353   7.912  -7.884
  215    HA   ALA  29           HA       ALA  29   4.751   7.874  -5.529
  216   1HB   ALA  29           HB2      ALA  29   6.507   5.853  -6.901
  217   2HB   ALA  29           HB1      ALA  29   5.784   5.472  -5.338
  218   3HB   ALA  29           HB3      ALA  29   4.753   5.856  -6.717
  219    H    VAL  30           HN       VAL  30   5.296   7.753  -3.333
  220    HA   VAL  30           HA       VAL  30   8.127   8.442  -2.711
  221    HB   VAL  30           HB       VAL  30   6.487   9.990  -1.806
  222   1HG1  VAL  30          HG13      VAL  30   5.210   7.454  -0.781
  223   2HG1  VAL  30          HG12      VAL  30   4.862   9.021  -0.049
  224   3HG1  VAL  30          HG11      VAL  30   4.479   8.736  -1.747
  225   1HG2  VAL  30          HG22      VAL  30   7.558   8.124   0.335
  226   2HG2  VAL  30          HG21      VAL  30   8.426   9.483  -0.379
  227   3HG2  VAL  30          HG23      VAL  30   6.997   9.773   0.613
  228    H    VAL  31           HN       VAL  31   9.374   7.115  -1.386
  229    HA   VAL  31           HA       VAL  31   8.113   4.814  -0.033
  230    HB   VAL  31           HB       VAL  31  10.447   4.085  -1.727
  231   1HG1  VAL  31          HG11      VAL  31   8.992   2.640  -0.103
  232   2HG1  VAL  31          HG13      VAL  31   7.838   2.617  -1.437
  233   3HG1  VAL  31          HG12      VAL  31   9.460   1.962  -1.663
  234   1HG2  VAL  31          HG22      VAL  31   8.940   5.487  -3.213
  235   2HG2  VAL  31          HG21      VAL  31   9.147   3.818  -3.742
  236   3HG2  VAL  31          HG23      VAL  31   7.666   4.304  -2.917
  237    H    GLN  32           HN       GLN  32   9.807   3.609   1.282
  238    HA   GLN  32           HA       GLN  32  12.375   4.899   1.726
  239   1HB   GLN  32           HB2      GLN  32  10.032   5.701   3.316
  240   2HB   GLN  32           HB1      GLN  32  11.410   5.186   4.290
  241   1HG   GLN  32           HG2      GLN  32  12.730   6.932   3.598
  242   2HG   GLN  32           HG1      GLN  32  11.995   6.989   1.995
  243   1HE2  GLN  32          HE22      GLN  32  10.773   9.648   4.664
  244   2HE2  GLN  32          HE21      GLN  32  12.255   8.822   4.721
  245    H    HIS  33           HN       HIS  33  12.897   2.612   1.349
  246    HA   HIS  33           HA       HIS  33  12.348   0.905   3.746
  247   1HB   HIS  33           HB2      HIS  33  13.023  -0.951   1.983
  248   2HB   HIS  33           HB1      HIS  33  11.378  -0.317   2.021
  249    HD1  HIS  33           HD1      HIS  33  14.610  -0.049   0.083
  250    HD2  HIS  33           HD2      HIS  33  10.647   1.204  -0.240
  251    HE1  HIS  33           HE1      HIS  33  14.345   0.890  -2.254
  252    H    HIS  34           HN       HIS  34  14.136  -0.095   4.718
  253    HA   HIS  34           HA       HIS  34  16.757  -0.056   3.437
  254   1HB   HIS  34           HB2      HIS  34  15.940   2.128   5.158
  255   2HB   HIS  34           HB1      HIS  34  17.317   1.270   5.846
  256    HD1  HIS  34           HD1      HIS  34  19.569   1.594   4.732
  257    HD2  HIS  34           HD2      HIS  34  16.436   3.123   2.446
  258    HE1  HIS  34           HE1      HIS  34  20.633   2.865   2.818
  259    HA   PRO  35           HA       PRO  35  17.122  -2.119   7.673
  260   1HB   PRO  35           HB2      PRO  35  14.648  -2.103   9.122
  261   2HB   PRO  35           HB1      PRO  35  16.173  -1.332   9.578
  262   1HG   PRO  35           HG2      PRO  35  13.750  -0.066   8.637
  263   2HG   PRO  35           HG1      PRO  35  15.253   0.703   9.165
  264   1HD   PRO  35           HD2      PRO  35  14.256   0.491   6.489
  265   2HD   PRO  35           HD1      PRO  35  15.797   1.186   7.019
  266    H    ALA  36           HN       ALA  36  15.201  -3.899   8.893
  267    HA   ALA  36           HA       ALA  36  14.732  -5.692   6.613
  268   1HB   ALA  36           HB2      ALA  36  15.606  -6.584   8.749
  269   2HB   ALA  36           HB1      ALA  36  14.136  -6.056   9.567
  270   3HB   ALA  36           HB3      ALA  36  14.056  -7.320   8.341
  271    H    MET  37           HN       MET  37  13.015  -3.196   8.011
  272    HA   MET  37           HA       MET  37  10.359  -4.461   7.746
  273   1HB   MET  37           HB2      MET  37  11.419  -2.259   9.202
  274   2HB   MET  37           HB1      MET  37  10.221  -1.611   8.081
  275   1HG   MET  37           HG2      MET  37   8.672  -3.488   8.877
  276   2HG   MET  37           HG1      MET  37   9.831  -3.751  10.180
  277   1HE   MET  37           HE3      MET  37  10.974  -1.902  11.138
  278   2HE   MET  37           HE2      MET  37  10.407  -0.249  11.355
  279   3HE   MET  37           HE1      MET  37   9.900  -1.501  12.486
  280    H    ILE  38           HN       ILE  38   8.685  -3.193   6.439
  281    HA   ILE  38           HA       ILE  38   9.879  -1.909   4.034
  282    HB   ILE  38           HB       ILE  38   9.177  -4.535   3.986
  283   1HG1  ILE  38          HG12      ILE  38   8.416  -3.419   1.455
  284   2HG1  ILE  38          HG11      ILE  38   9.760  -2.486   2.116
  285   1HG2  ILE  38          HG21      ILE  38   6.691  -3.000   3.195
  286   2HG2  ILE  38          HG23      ILE  38   6.980  -4.696   2.805
  287   3HG2  ILE  38          HG22      ILE  38   6.834  -4.191   4.488
  288   1HD1  ILE  38          HD12      ILE  38  10.998  -4.600   2.531
  289   2HD1  ILE  38          HD11      ILE  38   9.671  -5.502   1.799
  290   3HD1  ILE  38          HD13      ILE  38  10.622  -4.384   0.821
  291    H    ARG  39           HN       ARG  39   8.877   0.088   3.968
  292    HA   ARG  39           HA       ARG  39   5.979   0.157   4.700
  293   1HB   ARG  39           HB2      ARG  39   6.308   2.245   5.859
  294   2HB   ARG  39           HB1      ARG  39   7.493   1.095   6.482
  295   1HG   ARG  39           HG2      ARG  39   8.967   2.104   4.497
  296   2HG   ARG  39           HG1      ARG  39   7.908   3.492   4.747
  297   1HD   ARG  39           HD2      ARG  39   9.427   4.040   6.358
  298   2HD   ARG  39           HD1      ARG  39   8.527   2.872   7.325
  299    HE   ARG  39           HE       ARG  39  10.410   1.326   6.006
  300   1HH1  ARG  39          HH21      ARG  39  10.439   4.158   7.986
  301   2HH1  ARG  39          HH22      ARG  39  12.009   3.838   8.642
  302   1HH2  ARG  39          HH11      ARG  39  12.455   0.901   6.854
  303   2HH2  ARG  39          HH12      ARG  39  13.149   1.996   8.003
  304    H    ILE  40           HN       ILE  40   4.913   2.189   3.926
  305    HA   ILE  40           HA       ILE  40   6.050   3.580   1.637
  306    HB   ILE  40           HB       ILE  40   3.820   1.555   1.315
  307   1HG1  ILE  40          HG12      ILE  40   5.464   1.345  -0.848
  308   2HG1  ILE  40          HG11      ILE  40   6.613   1.875   0.381
  309   1HG2  ILE  40          HG21      ILE  40   3.184   3.780   0.342
  310   2HG2  ILE  40          HG23      ILE  40   4.634   3.708  -0.659
  311   3HG2  ILE  40          HG22      ILE  40   3.358   2.510  -0.869
  312   1HD1  ILE  40          HD13      ILE  40   4.816  -0.145   1.442
  313   2HD1  ILE  40          HD12      ILE  40   5.654  -0.736   0.007
  314   3HD1  ILE  40          HD11      ILE  40   6.579  -0.143   1.387
  315    H    GLU  41           HN       GLU  41   4.582   5.371   0.980
  316    HA   GLU  41           HA       GLU  41   2.385   5.870   2.956
  317   1HB   GLU  41           HB2      GLU  41   3.274   8.389   2.479
  318   2HB   GLU  41           HB1      GLU  41   3.824   7.411   3.838
  319   1HG   GLU  41           HG2      GLU  41   5.777   6.684   2.602
  320   2HG   GLU  41           HG1      GLU  41   5.192   7.469   1.135
  321    H    ALA  42           HN       ALA  42   1.221   8.072   2.051
  322    HA   ALA  42           HA       ALA  42   0.869   7.734  -0.893
  323   1HB   ALA  42           HB2      ALA  42  -1.006   6.879   0.886
  324   2HB   ALA  42           HB1      ALA  42  -1.523   8.549   0.655
  325   3HB   ALA  42           HB3      ALA  42  -1.393   7.466  -0.731
  326    H    GLU  43           HN       GLU  43  -1.256   9.872  -0.769
  327    HA   GLU  43           HA       GLU  43   0.480  12.188  -0.059
  328   1HB   GLU  43           HB2      GLU  43  -0.621  11.425  -2.704
  329   2HB   GLU  43           HB1      GLU  43  -0.687  13.138  -2.286
  330   1HG   GLU  43           HG2      GLU  43   1.875  11.894  -1.592
  331   2HG   GLU  43           HG1      GLU  43   1.523  11.824  -3.319
  332    H    LYS  44           HN       LYS  44  -2.043  11.016   1.165
  333    HA   LYS  44           HA       LYS  44  -3.743  12.052   2.386
  334   1HB   LYS  44           HB2      LYS  44  -2.535  14.210   2.208
  335   2HB   LYS  44           HB1      LYS  44  -3.321  14.476   0.656
  336   1HG   LYS  44           HG2      LYS  44  -5.403  13.812   2.405
  337   2HG   LYS  44           HG1      LYS  44  -4.369  14.908   3.323
  338   1HD   LYS  44           HD2      LYS  44  -4.519  16.003   0.731
  339   2HD   LYS  44           HD1      LYS  44  -6.164  15.510   1.135
  340   1HE   LYS  44           HE2      LYS  44  -4.539  16.965   3.194
  341   2HE   LYS  44           HE1      LYS  44  -5.275  17.884   1.881
  342   1HZ   LYS  44           HZ1      LYS  44  -7.269  16.239   2.681
  343   2HZ   LYS  44           HZ3      LYS  44  -6.507  16.620   4.148
  344   3HZ   LYS  44           HZ2      LYS  44  -7.090  17.863   3.147
  345    H    ARG  45           HN       ARG  45  -3.739  12.568  -1.013
  346    HA   ARG  45           HA       ARG  45  -6.613  11.851  -0.944
  347   1HB   ARG  45           HB2      ARG  45  -5.391  13.771  -2.925
  348   2HB   ARG  45           HB1      ARG  45  -7.107  13.495  -2.594
  349   1HG   ARG  45           HG2      ARG  45  -6.800  14.303  -0.281
  350   2HG   ARG  45           HG1      ARG  45  -5.089  14.585  -0.606
  351   1HD   ARG  45           HD2      ARG  45  -6.757  15.843  -2.631
  352   2HD   ARG  45           HD1      ARG  45  -7.181  16.408  -1.016
  353    HE   ARG  45           HE       ARG  45  -4.417  16.538  -1.050
  354   1HH1  ARG  45          HH21      ARG  45  -6.981  17.671  -3.065
  355   2HH1  ARG  45          HH22      ARG  45  -6.134  19.097  -3.562
  356   1HH2  ARG  45          HH11      ARG  45  -3.306  18.402  -1.684
  357   2HH2  ARG  45          HH12      ARG  45  -4.058  19.511  -2.781
  358    H    LEU  46           HN       LEU  46  -6.819   9.897  -1.839
  359    HA   LEU  46           HA       LEU  46  -5.445   9.343  -4.417
  360   1HB   LEU  46           HB2      LEU  46  -5.563   6.971  -2.722
  361   2HB   LEU  46           HB1      LEU  46  -4.194   7.638  -3.605
  362    HG   LEU  46           HG       LEU  46  -5.130   8.904  -1.026
  363   1HD1  LEU  46          HD11      LEU  46  -4.678   6.448  -0.685
  364   2HD1  LEU  46          HD13      LEU  46  -3.035   6.735  -1.260
  365   3HD1  LEU  46          HD12      LEU  46  -3.603   7.518   0.215
  366   1HD2  LEU  46          HD23      LEU  46  -3.341   9.730  -2.874
  367   2HD2  LEU  46          HD22      LEU  46  -3.194  10.093  -1.154
  368   3HD2  LEU  46          HD21      LEU  46  -2.293   8.747  -1.851
  369    H    GLU  47           HN       GLU  47  -6.675   7.991  -5.786
  370    HA   GLU  47           HA       GLU  47  -9.085   6.677  -4.728
  371   1HB   GLU  47           HB2      GLU  47  -9.870   8.984  -5.101
  372   2HB   GLU  47           HB1      GLU  47  -9.288   8.917  -6.764
  373   1HG   GLU  47           HG2      GLU  47 -10.897   6.611  -6.356
  374   2HG   GLU  47           HG1      GLU  47 -11.794   7.988  -5.714
  375    H    ILE  48           HN       ILE  48  -9.678   4.950  -6.016
  376    HA   ILE  48           HA       ILE  48  -8.548   4.765  -8.757
  377    HB   ILE  48           HB       ILE  48  -8.335   2.200  -7.429
  378   1HG1  ILE  48          HG12      ILE  48  -6.207   3.017  -6.124
  379   2HG1  ILE  48          HG11      ILE  48  -7.044   4.569  -6.099
  380   1HG2  ILE  48          HG21      ILE  48  -6.301   4.047  -8.710
  381   2HG2  ILE  48          HG23      ILE  48  -6.036   2.344  -8.336
  382   3HG2  ILE  48          HG22      ILE  48  -7.239   2.805  -9.541
  383   1HD1  ILE  48          HD11      ILE  48  -8.855   2.403  -5.420
  384   2HD1  ILE  48          HD13      ILE  48  -7.458   2.421  -4.343
  385   3HD1  ILE  48          HD12      ILE  48  -8.467   3.859  -4.503
  386    H    ARG  49           HN       ARG  49  -9.850   3.514 -10.141
  387    HA   ARG  49           HA       ARG  49 -12.468   2.715  -8.969
  388   1HB   ARG  49           HB2      ARG  49 -12.974   2.542 -11.577
  389   2HB   ARG  49           HB1      ARG  49 -13.006   4.094 -10.741
  390   1HG   ARG  49           HG2      ARG  49 -10.763   4.613 -11.469
  391   2HG   ARG  49           HG1      ARG  49 -10.547   2.990 -12.125
  392   1HD   ARG  49           HD2      ARG  49 -11.706   3.469 -14.026
  393   2HD   ARG  49           HD1      ARG  49 -12.909   4.427 -13.163
  394    HE   ARG  49           HE       ARG  49 -10.634   6.005 -13.090
  395   1HH1  ARG  49          HH21      ARG  49 -12.473   4.382 -15.521
  396   2HH1  ARG  49          HH22      ARG  49 -12.106   5.540 -16.754
  397   1HH2  ARG  49          HH11      ARG  49 -10.149   7.521 -14.690
  398   2HH2  ARG  49          HH12      ARG  49 -10.792   7.316 -16.285
  399    H    ARG  50           HN       ARG  50 -11.500   1.390 -12.023
  400    HA   ARG  50           HA       ARG  50 -12.094  -1.275 -11.329
  401   1HB   ARG  50           HB2      ARG  50 -10.379  -0.093 -13.516
  402   2HB   ARG  50           HB1      ARG  50 -10.667  -1.829 -13.385
  403   1HG   ARG  50           HG2      ARG  50 -13.007   0.046 -13.299
  404   2HG   ARG  50           HG1      ARG  50 -12.270  -0.337 -14.855
  405   1HD   ARG  50           HD2      ARG  50 -13.429  -2.265 -14.877
  406   2HD   ARG  50           HD1      ARG  50 -12.502  -2.791 -13.471
  407    HE   ARG  50           HE       ARG  50 -14.481  -1.187 -12.388
  408   1HH1  ARG  50          HH21      ARG  50 -14.359  -3.896 -14.530
  409   2HH1  ARG  50          HH22      ARG  50 -15.893  -4.523 -14.030
  410   1HH2  ARG  50          HH11      ARG  50 -16.483  -2.000 -11.729
  411   2HH2  ARG  50          HH12      ARG  50 -17.093  -3.453 -12.447
  412    H    GLU  51           HN       GLU  51  -9.295   0.557 -10.512
  413    HA   GLU  51           HA       GLU  51  -7.243  -1.345 -10.492
  414   1HB   GLU  51           HB2      GLU  51  -6.902   0.974  -9.746
  415   2HB   GLU  51           HB1      GLU  51  -7.884   0.660  -8.316
  416   1HG   GLU  51           HG2      GLU  51  -5.510   0.477  -7.742
  417   2HG   GLU  51           HG1      GLU  51  -6.279  -1.106  -7.624
  418    H    THR  52           HN       THR  52 -10.148  -1.248  -8.578
  419    HA   THR  52           HA       THR  52  -9.286  -3.026  -6.487
  420    HB   THR  52           HB       THR  52 -12.117  -2.999  -7.482
  421    HG1  THR  52           HG1      THR  52 -10.719  -0.891  -6.215
  422   1HG2  THR  52          HG21      THR  52 -10.639  -3.443  -4.948
  423   2HG2  THR  52          HG23      THR  52 -12.194  -2.622  -4.808
  424   3HG2  THR  52          HG22      THR  52 -12.104  -4.220  -5.549
  425    H    VAL  53           HN       VAL  53 -10.963  -3.597  -9.595
  426    HA   VAL  53           HA       VAL  53 -11.342  -6.356  -9.420
  427    HB   VAL  53           HB       VAL  53 -10.380  -4.735 -11.802
  428   1HG1  VAL  53          HG11      VAL  53 -10.703  -7.598 -11.442
  429   2HG1  VAL  53          HG13      VAL  53 -11.809  -6.988 -12.673
  430   3HG1  VAL  53          HG12      VAL  53 -10.074  -6.716 -12.834
  431   1HG2  VAL  53          HG23      VAL  53 -12.947  -5.138 -10.463
  432   2HG2  VAL  53          HG22      VAL  53 -12.499  -3.949 -11.685
  433   3HG2  VAL  53          HG21      VAL  53 -13.015  -5.564 -12.173
  434    H    GLU  54           HN       GLU  54  -8.369  -4.538  -9.787
  435    HA   GLU  54           HA       GLU  54  -6.700  -6.825 -10.425
  436   1HB   GLU  54           HB2      GLU  54  -5.766  -4.684 -10.940
  437   2HB   GLU  54           HB1      GLU  54  -6.123  -4.061  -9.331
  438   1HG   GLU  54           HG2      GLU  54  -4.103  -4.731  -8.617
  439   2HG   GLU  54           HG1      GLU  54  -4.512  -6.398  -9.022
  440    H    GLU  55           HN       GLU  55  -7.496  -5.030  -7.442
  441    HA   GLU  55           HA       GLU  55  -5.969  -6.538  -5.619
  442   1HB   GLU  55           HB2      GLU  55  -8.591  -5.089  -5.439
  443   2HB   GLU  55           HB1      GLU  55  -8.112  -6.128  -4.096
  444   1HG   GLU  55           HG2      GLU  55  -6.210  -4.849  -3.613
  445   2HG   GLU  55           HG1      GLU  55  -6.155  -4.145  -5.229
  446    H    ASN  56           HN       ASN  56  -9.430  -7.103  -6.377
  447    HA   ASN  56           HA       ASN  56  -9.764  -9.623  -5.217
  448   1HB   ASN  56           HB2      ASN  56 -11.273  -8.065  -6.900
  449   2HB   ASN  56           HB1      ASN  56 -10.874  -9.424  -7.952
  450   1HD2  ASN  56          HD22      ASN  56 -13.016 -10.215  -4.521
  451   2HD2  ASN  56          HD21      ASN  56 -11.943  -8.900  -4.535
  452    H    LEU  57           HN       LEU  57  -8.037  -8.851  -8.230
  453    HA   LEU  57           HA       LEU  57  -7.735 -11.477  -9.230
  454   1HB   LEU  57           HB2      LEU  57  -6.787  -9.374 -10.297
  455   2HB   LEU  57           HB1      LEU  57  -5.501  -9.425  -9.090
  456    HG   LEU  57           HG       LEU  57  -5.242 -11.917  -9.910
  457   1HD1  LEU  57          HD12      LEU  57  -7.204 -10.855 -11.706
  458   2HD1  LEU  57          HD11      LEU  57  -5.732 -11.185 -12.619
  459   3HD1  LEU  57          HD13      LEU  57  -6.500 -12.471 -11.688
  460   1HD2  LEU  57          HD21      LEU  57  -3.949  -9.491 -10.434
  461   2HD2  LEU  57          HD23      LEU  57  -3.310 -11.103 -10.756
  462   3HD2  LEU  57          HD22      LEU  57  -4.163 -10.224 -12.024
  463    H    GLY  58           HN       GLY  58  -5.444  -9.773  -7.064
  464   1HA   GLY  58           HA2      GLY  58  -4.005 -12.074  -6.234
  465   2HA   GLY  58           HA1      GLY  58  -4.227 -10.633  -5.230
  466    H    ARG  59           HN       ARG  59  -7.141 -10.933  -5.519
  467    HA   ARG  59           HA       ARG  59  -8.950 -12.430  -4.845
  468   1HB   ARG  59           HB2      ARG  59  -7.278 -14.111  -4.356
  469   2HB   ARG  59           HB1      ARG  59  -6.906 -13.238  -2.887
  470   1HG   ARG  59           HG2      ARG  59  -8.474 -14.661  -1.963
  471   2HG   ARG  59           HG1      ARG  59  -9.592 -13.460  -2.611
  472   1HD   ARG  59           HD2      ARG  59  -9.523 -14.852  -4.788
  473   2HD   ARG  59           HD1      ARG  59  -8.812 -16.124  -3.795
  474    HE   ARG  59           HE       ARG  59 -11.080 -15.356  -2.389
  475   1HH1  ARG  59          HH21      ARG  59 -10.348 -16.402  -5.599
  476   2HH1  ARG  59          HH22      ARG  59 -11.890 -17.150  -5.845
  477   1HH2  ARG  59          HH11      ARG  59 -13.093 -16.329  -2.698
  478   2HH2  ARG  59          HH12      ARG  59 -13.443 -17.107  -4.206
  479    H    ALA  60           HN       ALA  60  -8.215  -9.719  -4.367
  480    HA   ALA  60           HA       ALA  60  -8.717  -7.988  -2.857
  481   1HB   ALA  60           HB3      ALA  60 -10.219 -10.242  -1.449
  482   2HB   ALA  60           HB2      ALA  60 -10.309  -8.541  -0.996
  483   3HB   ALA  60           HB1      ALA  60 -10.928  -9.070  -2.560
  484    H    TRP  61           HN       TRP  61  -6.608  -7.774  -2.241
  485    HA   TRP  61           HA       TRP  61  -4.660  -9.162  -1.231
  486   1HB   TRP  61           HB2      TRP  61  -4.363  -6.825  -1.005
  487   2HB   TRP  61           HB1      TRP  61  -5.708  -6.680   0.124
  488    HD1  TRP  61           HD1      TRP  61  -2.267  -8.449  -0.034
  489    HE1  TRP  61           HE1      TRP  61  -1.246  -8.425   2.334
  490    HE3  TRP  61           HE3      TRP  61  -6.069  -6.216   2.542
  491    HZ2  TRP  61           HZ2      TRP  61  -1.951  -7.569   4.974
  492    HZ3  TRP  61           HZ3      TRP  61  -5.869  -5.808   4.978
  493    HH2  TRP  61           HH2      TRP  61  -3.818  -6.482   6.196
  494    H    ASP  62           HN       ASP  62  -5.596 -11.099  -0.627
  495    HA   ASP  62           HA       ASP  62  -6.743 -11.360   2.089
  496   1HB   ASP  62           HB2      ASP  62  -8.012 -12.389   0.262
  497   2HB   ASP  62           HB1      ASP  62  -6.573 -13.230  -0.304
  498    H    VAL  63           HN       VAL  63  -4.134 -10.731   2.282
  499    HA   VAL  63           HA       VAL  63  -2.473 -13.165   2.274
  500    HB   VAL  63           HB       VAL  63  -1.838 -10.379   3.261
  501   1HG1  VAL  63          HG13      VAL  63  -0.185 -12.833   2.650
  502   2HG1  VAL  63          HG12      VAL  63   0.526 -11.220   2.714
  503   3HG1  VAL  63          HG11      VAL  63  -0.241 -11.904   4.147
  504   1HG2  VAL  63          HG21      VAL  63  -2.543 -10.668   0.792
  505   2HG2  VAL  63          HG23      VAL  63  -0.992  -9.886   1.097
  506   3HG2  VAL  63          HG22      VAL  63  -1.044 -11.578   0.604
  507    H    GLN  64           HN       GLN  64  -4.827 -12.262   4.262
  508    HA   GLN  64           HA       GLN  64  -3.999 -11.948   6.856
  509   1HB   GLN  64           HB2      GLN  64  -5.997 -14.074   6.027
  510   2HB   GLN  64           HB1      GLN  64  -5.918 -13.249   7.584
  511   1HG   GLN  64           HG2      GLN  64  -6.686 -12.097   4.898
  512   2HG   GLN  64           HG1      GLN  64  -7.628 -12.114   6.388
  513   1HE2  GLN  64          HE22      GLN  64  -5.193  -9.009   5.671
  514   2HE2  GLN  64          HE21      GLN  64  -5.591 -10.166   4.496
  515    H    GLU  65           HN       GLU  65  -3.543 -14.834   4.887
  516    HA   GLU  65           HA       GLU  65  -2.728 -16.590   7.008
  517   1HB   GLU  65           HB2      GLU  65  -2.958 -16.729   4.187
  518   2HB   GLU  65           HB1      GLU  65  -1.284 -17.134   4.569
  519   1HG   GLU  65           HG2      GLU  65  -1.907 -18.945   5.945
  520   2HG   GLU  65           HG1      GLU  65  -3.561 -18.359   6.119
  521    H    MET  66           HN       MET  66  -0.792 -14.652   4.712
  522    HA   MET  66           HA       MET  66   1.689 -15.122   6.167
  523   1HB   MET  66           HB2      MET  66   0.875 -13.982   3.680
  524   2HB   MET  66           HB1      MET  66   1.848 -12.792   4.540
  525   1HG   MET  66           HG2      MET  66   3.582 -13.965   3.595
  526   2HG   MET  66           HG1      MET  66   3.340 -14.994   5.007
  527   1HE   MET  66           HE3      MET  66   3.403 -17.139   4.913
  528   2HE   MET  66           HE2      MET  66   1.648 -17.285   4.873
  529   3HE   MET  66           HE1      MET  66   2.632 -18.269   3.792
  530    H    LEU  67           HN       LEU  67  -0.966 -13.307   6.867
  531    HA   LEU  67           HA       LEU  67  -0.346 -10.752   7.572
  532   1HB   LEU  67           HB2      LEU  67  -2.470 -11.998   8.134
  533   2HB   LEU  67           HB1      LEU  67  -1.637 -12.639   9.552
  534    HG   LEU  67           HG       LEU  67  -1.073 -10.139  10.047
  535   1HD1  LEU  67          HD11      LEU  67  -2.529  -9.870   7.647
  536   2HD1  LEU  67          HD13      LEU  67  -3.603  -9.294   8.923
  537   3HD1  LEU  67          HD12      LEU  67  -2.006  -8.573   8.722
  538   1HD2  LEU  67          HD21      LEU  67  -3.410 -11.800  10.596
  539   2HD2  LEU  67          HD23      LEU  67  -2.499 -10.760  11.690
  540   3HD2  LEU  67          HD22      LEU  67  -3.788 -10.080  10.698
  541    H    VAL  68           HN       VAL  68   1.173 -13.581   8.986
  542    HA   VAL  68           HA       VAL  68   2.114 -12.821  11.440
  543    HB   VAL  68           HB       VAL  68   4.389 -13.801  10.647
  544   1HG1  VAL  68          HG13      VAL  68   1.777 -15.324  10.412
  545   2HG1  VAL  68          HG12      VAL  68   3.363 -16.089  10.513
  546   3HG1  VAL  68          HG11      VAL  68   2.758 -15.133  11.865
  547   1HG2  VAL  68          HG21      VAL  68   3.932 -13.226   8.240
  548   2HG2  VAL  68          HG23      VAL  68   4.342 -14.922   8.498
  549   3HG2  VAL  68          HG22      VAL  68   2.662 -14.450   8.242
  550    H    ASP  69           HN       ASP  69   2.950 -11.330   8.392
  551    HA   ASP  69           HA       ASP  69   5.252  -9.852   9.137
  552   1HB   ASP  69           HB2      ASP  69   4.537  -8.294   7.316
  553   2HB   ASP  69           HB1      ASP  69   4.475  -9.985   6.818
  554    H    VAL  70           HN       VAL  70   5.276  -7.439   9.546
  555    HA   VAL  70           HA       VAL  70   3.435  -6.800  11.741
  556    HB   VAL  70           HB       VAL  70   5.535  -5.051  10.422
  557   1HG1  VAL  70          HG12      VAL  70   4.056  -4.885  13.062
  558   2HG1  VAL  70          HG11      VAL  70   5.450  -3.886  12.647
  559   3HG1  VAL  70          HG13      VAL  70   3.957  -3.745  11.720
  560   1HG2  VAL  70          HG21      VAL  70   6.000  -7.412  11.727
  561   2HG2  VAL  70          HG23      VAL  70   7.132  -6.059  11.704
  562   3HG2  VAL  70          HG22      VAL  70   6.036  -6.270  13.070
  563    H    ILE  71           HN       ILE  71   2.285  -4.593  11.700
  564    HA   ILE  71           HA       ILE  71   1.332  -3.946   8.951
  565    HB   ILE  71           HB       ILE  71  -0.940  -3.751   9.893
  566   1HG1  ILE  71          HG12      ILE  71  -0.749  -5.197  12.287
  567   2HG1  ILE  71          HG11      ILE  71   0.548  -4.004  12.367
  568   1HG2  ILE  71          HG22      ILE  71   0.525  -6.133   9.432
  569   2HG2  ILE  71          HG21      ILE  71  -0.507  -6.433  10.829
  570   3HG2  ILE  71          HG23      ILE  71  -1.219  -5.906   9.304
  571   1HD1  ILE  71          HD12      ILE  71  -1.281  -2.332  11.535
  572   2HD1  ILE  71          HD11      ILE  71  -2.415  -3.556  12.106
  573   3HD1  ILE  71          HD13      ILE  71  -1.277  -2.815  13.231
  574    H    THR  72           HN       THR  72   0.727  -1.736   8.651
  575    HA   THR  72           HA       THR  72   0.848   0.100  10.936
  576    HB   THR  72           HB       THR  72   2.540   1.171   8.829
  577    HG1  THR  72           HG1      THR  72   3.807  -0.825  10.286
  578   1HG2  THR  72          HG23      THR  72   2.800   0.678  11.800
  579   2HG2  THR  72          HG22      THR  72   4.043   1.484  10.843
  580   3HG2  THR  72          HG21      THR  72   2.439   2.203  10.990
  581    H    ILE  73           HN       ILE  73  -0.379   1.938  10.579
  582    HA   ILE  73           HA       ILE  73  -1.377   2.405   7.812
  583    HB   ILE  73           HB       ILE  73  -3.263   2.580  10.145
  584   1HG1  ILE  73          HG12      ILE  73  -2.226   0.317  10.221
  585   2HG1  ILE  73          HG11      ILE  73  -3.928   0.247   9.761
  586   1HG2  ILE  73          HG21      ILE  73  -3.788   3.469   7.828
  587   2HG2  ILE  73          HG23      ILE  73  -3.708   1.804   7.250
  588   3HG2  ILE  73          HG22      ILE  73  -4.930   2.269   8.434
  589   1HD1  ILE  73          HD13      ILE  73  -2.296   0.605   7.407
  590   2HD1  ILE  73          HD12      ILE  73  -1.727  -0.790   8.323
  591   3HD1  ILE  73          HD11      ILE  73  -3.407  -0.710   7.792
  592    H    GLY  74           HN       GLY  74  -2.112   4.611   7.468
  593   1HA   GLY  74           HA2      GLY  74  -1.945   6.577   9.600
  594   2HA   GLY  74           HA1      GLY  74  -0.546   6.632   8.532
  595    H    GLY  75           HN       GLY  75  -3.755   5.776   7.454
  596   1HA   GLY  75           HA2      GLY  75  -4.185   8.451   6.279
  597   2HA   GLY  75           HA1      GLY  75  -4.077   7.086   5.163
  598    H    ASN  76           HN       ASN  76  -5.788   5.607   5.068
  599    HA   ASN  76           HA       ASN  76  -7.907   5.487   7.017
  600   1HB   ASN  76           HB2      ASN  76  -8.091   7.729   5.416
  601   2HB   ASN  76           HB1      ASN  76  -9.103   6.568   4.558
  602   1HD2  ASN  76          HD22      ASN  76 -11.716   7.389   6.781
  603   2HD2  ASN  76          HD21      ASN  76 -11.186   7.307   5.171
  604    H    VAL  77           HN       VAL  77  -9.975   4.937   4.993
  605    HA   VAL  77           HA       VAL  77  -9.118   3.089   3.027
  606    HB   VAL  77           HB       VAL  77  -8.286   1.762   4.931
  607   1HG1  VAL  77          HG12      VAL  77 -10.518   2.781   6.239
  608   2HG1  VAL  77          HG11      VAL  77 -10.920   1.080   6.001
  609   3HG1  VAL  77          HG13      VAL  77  -9.445   1.526   6.858
  610   1HG2  VAL  77          HG21      VAL  77 -10.646   0.816   3.334
  611   2HG2  VAL  77          HG23      VAL  77  -8.957   0.319   3.227
  612   3HG2  VAL  77          HG22      VAL  77  -9.961  -0.250   4.561
  613    H    ASP  78           HN       ASP  78 -10.884   4.150   1.974
  614    HA   ASP  78           HA       ASP  78 -13.577   3.453   3.063
  615   1HB   ASP  78           HB2      ASP  78 -13.816   5.324   0.929
  616   2HB   ASP  78           HB1      ASP  78 -14.154   5.577   2.637
  617    H    GLU  79           HN       GLU  79 -14.807   2.065   1.923
  618    HA   GLU  79           HA       GLU  79 -14.067   1.537  -0.925
  619   1HB   GLU  79           HB2      GLU  79 -13.591  -0.257   1.058
  620   2HB   GLU  79           HB1      GLU  79 -15.244  -0.701   0.629
  621   1HG   GLU  79           HG2      GLU  79 -13.808  -0.247  -1.796
  622   2HG   GLU  79           HG1      GLU  79 -12.832  -1.310  -0.781
  623    H    ASP  80           HN       ASP  80 -15.852   1.137  -2.314
  624    HA   ASP  80           HA       ASP  80 -18.487   1.842  -1.102
  625   1HB   ASP  80           HB2      ASP  80 -18.998   2.148  -3.698
  626   2HB   ASP  80           HB1      ASP  80 -18.205   3.420  -2.770
  627    H    ASP  81           HN       ASP  81 -18.438   0.433  -4.271
  628    HA   ASP  81           HA       ASP  81 -19.646  -2.033  -3.108
  629   1HB   ASP  81           HB2      ASP  81 -20.084  -0.528  -5.676
  630   2HB   ASP  81           HB1      ASP  81 -20.484  -2.243  -5.581
  631    H    ASP  82           HN       ASP  82 -17.652  -0.984  -5.900
  632    HA   ASP  82           HA       ASP  82 -16.118  -3.532  -5.587
  633   1HB   ASP  82           HB2      ASP  82 -17.621  -2.548  -7.915
  634   2HB   ASP  82           HB1      ASP  82 -15.941  -2.939  -8.287
  635    H    ARG  83           HN       ARG  83 -16.211  -0.252  -6.919
  636    HA   ARG  83           HA       ARG  83 -13.490   0.072  -7.577
  637   1HB   ARG  83           HB2      ARG  83 -15.699   1.899  -6.707
  638   2HB   ARG  83           HB1      ARG  83 -14.061   2.539  -6.766
  639   1HG   ARG  83           HG2      ARG  83 -14.847   2.969  -8.935
  640   2HG   ARG  83           HG1      ARG  83 -13.984   1.443  -9.140
  641   1HD   ARG  83           HD2      ARG  83 -15.954   0.192  -9.269
  642   2HD   ARG  83           HD1      ARG  83 -16.900   1.412  -8.415
  643    HE   ARG  83           HE       ARG  83 -16.150   2.688 -10.753
  644   1HH1  ARG  83          HH21      ARG  83 -17.664  -0.305  -9.926
  645   2HH1  ARG  83          HH22      ARG  83 -18.628  -0.363 -11.363
  646   1HH2  ARG  83          HH11      ARG  83 -17.409   2.624 -12.629
  647   2HH2  ARG  83          HH12      ARG  83 -18.486   1.292 -12.889
  648    H    PHE  84           HN       PHE  84 -12.305   1.984  -6.067
  649    HA   PHE  84           HA       PHE  84 -12.438   1.383  -3.212
  650   1HB   PHE  84           HB2      PHE  84 -11.146  -0.549  -3.839
  651   2HB   PHE  84           HB1      PHE  84 -10.110   0.417  -4.889
  652    HD1  PHE  84           HD2      PHE  84 -11.361   0.950  -1.395
  653    HD2  PHE  84           HD1      PHE  84  -7.959   0.498  -3.978
  654    HE1  PHE  84           HE2      PHE  84  -9.850   1.410   0.516
  655    HE2  PHE  84           HE1      PHE  84  -6.447   0.960  -2.067
  656    HZ   PHE  84           HZ       PHE  84  -7.392   1.415   0.180
  657    H    VAL  85           HN       VAL  85 -11.423   3.054  -2.015
  658    HA   VAL  85           HA       VAL  85  -9.655   4.926  -3.469
  659    HB   VAL  85           HB       VAL  85 -11.922   5.759  -3.954
  660   1HG1  VAL  85          HG11      VAL  85 -12.428   4.892  -1.319
  661   2HG1  VAL  85          HG13      VAL  85 -12.586   6.648  -1.278
  662   3HG1  VAL  85          HG12      VAL  85 -13.559   5.702  -2.403
  663   1HG2  VAL  85          HG22      VAL  85 -10.036   7.263  -2.184
  664   2HG2  VAL  85          HG21      VAL  85 -10.500   7.584  -3.855
  665   3HG2  VAL  85          HG23      VAL  85 -11.598   8.001  -2.540
  666    H    LEU  86           HN       LEU  86  -8.314   6.098  -2.099
  667    HA   LEU  86           HA       LEU  86  -8.765   5.944   0.843
  668   1HB   LEU  86           HB2      LEU  86  -7.336   3.996   0.099
  669   2HB   LEU  86           HB1      LEU  86  -6.165   5.157  -0.510
  670    HG   LEU  86           HG       LEU  86  -5.873   4.127   1.890
  671   1HD1  LEU  86          HD12      LEU  86  -5.435   6.936   0.961
  672   2HD1  LEU  86          HD11      LEU  86  -5.081   6.541   2.639
  673   3HD1  LEU  86          HD13      LEU  86  -4.257   5.683   1.339
  674   1HD2  LEU  86          HD21      LEU  86  -7.898   6.322   2.351
  675   2HD2  LEU  86          HD23      LEU  86  -8.038   4.631   2.808
  676   3HD2  LEU  86          HD22      LEU  86  -6.869   5.676   3.611
  677    H    GLU  87           HN       GLU  87  -8.177   7.910   1.760
  678    HA   GLU  87           HA       GLU  87  -6.449   9.740   0.186
  679   1HB   GLU  87           HB2      GLU  87  -8.629  10.697   2.010
  680   2HB   GLU  87           HB1      GLU  87  -7.831  11.544   0.696
  681   1HG   GLU  87           HG2      GLU  87  -9.625  10.974  -0.558
  682   2HG   GLU  87           HG1      GLU  87  -8.906   9.364  -0.595
  683    H    TRP  88           HN       TRP  88  -7.029  11.537   2.690
  684    HA   TRP  88           HA       TRP  88  -4.735  10.481   4.204
  685   1HB   TRP  88           HB2      TRP  88  -4.570  12.824   3.748
  686   2HB   TRP  88           HB1      TRP  88  -6.194  13.127   4.359
  687    HD1  TRP  88           HD1      TRP  88  -4.094  10.683   6.278
  688    HE1  TRP  88           HE1      TRP  88  -3.352  11.733   8.515
  689    HE3  TRP  88           HE3      TRP  88  -5.534  15.527   5.508
  690    HZ2  TRP  88           HZ2      TRP  88  -3.366  14.284   9.805
  691    HZ3  TRP  88           HZ3      TRP  88  -5.158  17.242   7.258
  692    HH2  TRP  88           HH2      TRP  88  -4.077  16.627   9.403
  693    H    LYS  89           HN       LYS  89  -7.164  12.399   5.816
  694    HA   LYS  89           HA       LYS  89  -8.621  11.910   7.581
  695   1HB   LYS  89           HB2      LYS  89  -8.348   9.024   6.701
  696   2HB   LYS  89           HB1      LYS  89  -9.636   9.716   7.685
  697   1HG   LYS  89           HG2      LYS  89  -9.534  11.307   5.366
  698   2HG   LYS  89           HG1      LYS  89  -9.395   9.642   4.801
  699   1HD   LYS  89           HD2      LYS  89 -11.673   9.676   4.961
  700   2HD   LYS  89           HD1      LYS  89 -11.351   9.356   6.665
  701   1HE   LYS  89           HE2      LYS  89 -12.428  11.273   7.148
  702   2HE   LYS  89           HE1      LYS  89 -11.094  12.138   6.385
  703   1HZ   LYS  89           HZ2      LYS  89 -12.723  11.146   4.357
  704   2HZ   LYS  89           HZ1      LYS  89 -13.746  11.881   5.497
  705   3HZ   LYS  89           HZ3      LYS  89 -12.480  12.768   4.800
  706    H    ASN  90           HN       ASN  90  -8.525  11.002   9.768
  707    HA   ASN  90           HA       ASN  90  -5.837  10.826  10.775
  708   1HB   ASN  90           HB2      ASN  90  -8.091  11.515  11.961
  709   2HB   ASN  90           HB1      ASN  90  -8.184   9.794  12.336
  710   1HD2  ASN  90          HD22      ASN  90  -6.212  10.589  15.178
  711   2HD2  ASN  90          HD21      ASN  90  -7.742  10.108  14.622
   
  No H/Q in entry =         711
  Start of MODEL   12
    1   1H    MET   1           HT2      MET   1  -0.399  19.521  -5.023
    2   2H    MET   1           HT1      MET   1   0.682  18.799  -6.118
    3   3H    MET   1           HT3      MET   1  -0.974  18.440  -6.201
    4    HA   MET   1           HA       MET   1  -0.917  16.988  -4.492
    5   1HB   MET   1           HB2      MET   1   1.987  17.121  -5.360
    6   2HB   MET   1           HB1      MET   1   1.272  15.788  -4.453
    7   1HG   MET   1           HG2      MET   1   0.693  14.877  -6.432
    8   2HG   MET   1           HG1      MET   1  -0.469  16.192  -6.610
    9   1HE   MET   1           HE1      MET   1  -0.611  16.339  -8.901
   10   2HE   MET   1           HE3      MET   1  -0.311  18.023  -8.449
   11   3HE   MET   1           HE2      MET   1   0.461  17.340  -9.878
   12    H    SER   2           HN       SER   2   0.035  16.355  -2.344
   13    HA   SER   2           HA       SER   2   1.879  17.963  -0.913
   14   1HB   SER   2           HB2      SER   2   0.635  19.601   0.151
   15   2HB   SER   2           HB1      SER   2  -0.206  19.546  -1.395
   16    HG   SER   2           HG       SER   2  -0.981  18.634   1.119
   17    H    SER   3           HN       SER   3  -1.021  15.967  -0.838
   18    HA   SER   3           HA       SER   3  -0.630  15.125   1.925
   19   1HB   SER   3           HB2      SER   3  -2.355  14.060  -0.331
   20   2HB   SER   3           HB1      SER   3  -2.339  13.347   1.279
   21    HG   SER   3           HG       SER   3  -2.996  16.024   0.576
   22    H    LEU   4           HN       LEU   4   0.119  12.992   2.584
   23    HA   LEU   4           HA       LEU   4   1.343  11.294   0.529
   24   1HB   LEU   4           HB2      LEU   4   3.427  11.194   2.021
   25   2HB   LEU   4           HB1      LEU   4   3.260  12.563   0.936
   26    HG   LEU   4           HG       LEU   4   2.147  13.786   2.892
   27   1HD1  LEU   4          HD11      LEU   4   2.838  11.185   4.108
   28   2HD1  LEU   4          HD13      LEU   4   3.313  12.588   5.065
   29   3HD1  LEU   4          HD12      LEU   4   1.626  12.369   4.598
   30   1HD2  LEU   4          HD22      LEU   4   4.992  13.102   2.499
   31   2HD2  LEU   4          HD21      LEU   4   4.232  14.683   2.684
   32   3HD2  LEU   4          HD23      LEU   4   4.612  13.715   4.108
   33    H    VAL   5           HN       VAL   5   1.768   9.188   1.250
   34    HA   VAL   5           HA       VAL   5   0.353   8.492   3.820
   35    HB   VAL   5           HB       VAL   5   0.850   6.620   1.502
   36   1HG1  VAL   5          HG12      VAL   5  -0.900   6.685   3.935
   37   2HG1  VAL   5          HG11      VAL   5  -1.392   5.749   2.525
   38   3HG1  VAL   5          HG13      VAL   5   0.129   5.382   3.338
   39   1HG2  VAL   5          HG21      VAL   5  -0.374   8.737   0.806
   40   2HG2  VAL   5          HG23      VAL   5  -1.254   7.230   0.549
   41   3HG2  VAL   5          HG22      VAL   5  -1.650   8.260   1.926
   42    H    TYR   6           HN       TYR   6   1.220   6.221   4.592
   43    HA   TYR   6           HA       TYR   6   4.134   5.978   4.106
   44   1HB   TYR   6           HB2      TYR   6   4.221   7.352   6.031
   45   2HB   TYR   6           HB1      TYR   6   2.832   6.557   6.763
   46    HD1  TYR   6           HD1      TYR   6   3.041   4.318   7.777
   47    HD2  TYR   6           HD2      TYR   6   6.444   6.375   6.151
   48    HE1  TYR   6           HE1      TYR   6   4.554   2.743   8.951
   49    HE2  TYR   6           HE2      TYR   6   7.957   4.799   7.325
   50    HH   TYR   6           HH       TYR   6   7.879   3.305   9.302
   51    H    ILE   7           HN       ILE   7   4.780   3.837   4.185
   52    HA   ILE   7           HA       ILE   7   3.101   1.813   5.506
   53    HB   ILE   7           HB       ILE   7   2.547   0.601   3.502
   54   1HG1  ILE   7          HG12      ILE   7   4.434   2.581   2.203
   55   2HG1  ILE   7          HG11      ILE   7   4.525   0.820   2.185
   56   1HG2  ILE   7          HG23      ILE   7   1.111   2.586   4.016
   57   2HG2  ILE   7          HG22      ILE   7   2.104   3.550   2.927
   58   3HG2  ILE   7          HG21      ILE   7   1.150   2.208   2.297
   59   1HD1  ILE   7          HD11      ILE   7   2.131   1.093   1.023
   60   2HD1  ILE   7          HD13      ILE   7   2.820   2.650   0.562
   61   3HD1  ILE   7          HD12      ILE   7   3.628   1.155   0.091
   62    H    ALA   8           HN       ALA   8   4.257  -0.288   5.563
   63    HA   ALA   8           HA       ALA   8   6.885  -0.457   4.307
   64   1HB   ALA   8           HB2      ALA   8   6.671   0.105   7.271
   65   2HB   ALA   8           HB1      ALA   8   8.112  -0.586   6.523
   66   3HB   ALA   8           HB3      ALA   8   7.566   1.026   6.062
   67    H    PHE   9           HN       PHE   9   7.604  -2.577   4.285
   68    HA   PHE   9           HA       PHE   9   6.220  -4.504   6.066
   69   1HB   PHE   9           HB2      PHE   9   6.250  -5.975   3.839
   70   2HB   PHE   9           HB1      PHE   9   4.893  -4.920   4.219
   71    HD1  PHE   9           HD2      PHE   9   5.080  -2.454   3.359
   72    HD2  PHE   9           HD1      PHE   9   7.370  -5.739   1.822
   73    HE1  PHE   9           HE2      PHE   9   5.510  -1.178   1.285
   74    HE2  PHE   9           HE1      PHE   9   7.807  -4.468  -0.254
   75    HZ   PHE   9           HZ       PHE   9   6.876  -2.183  -0.532
   76    H    GLN  10           HN       GLN  10   7.330  -6.817   5.078
   77    HA   GLN  10           HA       GLN  10  10.213  -6.444   4.689
   78   1HB   GLN  10           HB2      GLN  10   9.615  -6.319   7.254
   79   2HB   GLN  10           HB1      GLN  10   9.437  -8.068   7.098
   80   1HG   GLN  10           HG2      GLN  10  11.888  -6.637   6.075
   81   2HG   GLN  10           HG1      GLN  10  11.769  -7.168   7.751
   82   1HE2  GLN  10          HE22      GLN  10  12.105  -9.965   4.770
   83   2HE2  GLN  10          HE21      GLN  10  11.627  -8.386   4.384
   84    H    ASP  11           HN       ASP  11   9.929  -7.656   2.836
   85    HA   ASP  11           HA       ASP  11   8.952 -10.459   3.183
   86   1HB   ASP  11           HB2      ASP  11   9.321  -8.933   0.589
   87   2HB   ASP  11           HB1      ASP  11   8.481 -10.468   0.813
   88    H    ASN  12           HN       ASN  12  10.154 -11.713   1.080
   89    HA   ASN  12           HA       ASN  12  12.888 -11.974   2.003
   90   1HB   ASN  12           HB2      ASN  12  11.655 -13.905   1.107
   91   2HB   ASN  12           HB1      ASN  12  11.536 -13.112  -0.464
   92   1HD2  ASN  12          HD22      ASN  12  14.507 -14.900  -1.252
   93   2HD2  ASN  12          HD21      ASN  12  12.838 -14.773  -1.530
   94    H    ASP  13           HN       ASP  13  12.694 -12.018  -1.445
   95    HA   ASP  13           HA       ASP  13  13.760  -9.258  -1.654
   96   1HB   ASP  13           HB2      ASP  13  15.649 -10.218  -3.113
   97   2HB   ASP  13           HB1      ASP  13  15.804 -10.433  -1.369
   98    H    ASN  14           HN       ASN  14  11.576 -11.392  -2.743
   99    HA   ASN  14           HA       ASN  14  11.892 -10.672  -5.615
  100   1HB   ASN  14           HB2      ASN  14  11.503 -13.088  -4.910
  101   2HB   ASN  14           HB1      ASN  14   9.885 -12.592  -4.410
  102   1HD2  ASN  14          HD22      ASN  14   8.881 -13.326  -7.729
  103   2HD2  ASN  14          HD21      ASN  14   8.745 -13.743  -6.089
  104    H    ALA  15           HN       ALA  15   9.268 -10.896  -3.182
  105    HA   ALA  15           HA       ALA  15   7.418  -9.306  -4.645
  106   1HB   ALA  15           HB3      ALA  15   7.703 -10.128  -1.786
  107   2HB   ALA  15           HB2      ALA  15   6.561  -8.841  -2.174
  108   3HB   ALA  15           HB1      ALA  15   6.380 -10.433  -2.911
  109    H    ARG  16           HN       ARG  16   9.875  -8.399  -2.251
  110    HA   ARG  16           HA       ARG  16   9.112  -5.633  -2.142
  111   1HB   ARG  16           HB2      ARG  16  11.057  -5.309  -0.876
  112   2HB   ARG  16           HB1      ARG  16  10.677  -7.003  -0.573
  113   1HG   ARG  16           HG2      ARG  16  12.296  -7.703  -2.271
  114   2HG   ARG  16           HG1      ARG  16  12.638  -6.017  -2.667
  115   1HD   ARG  16           HD2      ARG  16  12.889  -6.583   0.190
  116   2HD   ARG  16           HD1      ARG  16  13.999  -7.541  -0.786
  117    HE   ARG  16           HE       ARG  16  14.318  -4.790  -0.165
  118   1HH1  ARG  16          HH21      ARG  16  14.369  -6.873  -2.931
  119   2HH1  ARG  16          HH22      ARG  16  15.233  -5.742  -3.913
  120   1HH2  ARG  16          HH11      ARG  16  15.456  -3.332  -1.436
  121   2HH2  ARG  16          HH12      ARG  16  15.851  -3.746  -3.071
  122    H    TYR  17           HN       TYR  17  11.303  -7.466  -4.229
  123    HA   TYR  17           HA       TYR  17  12.502  -5.233  -5.556
  124   1HB   TYR  17           HB2      TYR  17  13.059  -7.798  -5.667
  125   2HB   TYR  17           HB1      TYR  17  11.892  -7.806  -6.988
  126    HD1  TYR  17           HD1      TYR  17  14.865  -5.864  -5.775
  127    HD2  TYR  17           HD2      TYR  17  12.617  -7.299  -9.142
  128    HE1  TYR  17           HE1      TYR  17  16.591  -4.962  -7.312
  129    HE2  TYR  17           HE2      TYR  17  14.340  -6.396 -10.679
  130    HH   TYR  17           HH       TYR  17  16.429  -4.167  -9.993
  131    H    VAL  18           HN       VAL  18   9.580  -7.142  -6.288
  132    HA   VAL  18           HA       VAL  18   8.881  -5.860  -8.715
  133    HB   VAL  18           HB       VAL  18   7.173  -7.079  -6.531
  134   1HG1  VAL  18          HG13      VAL  18   6.432  -5.717  -9.097
  135   2HG1  VAL  18          HG12      VAL  18   5.509  -7.134  -8.594
  136   3HG1  VAL  18          HG11      VAL  18   5.589  -5.717  -7.548
  137   1HG2  VAL  18          HG21      VAL  18   8.767  -8.496  -7.934
  138   2HG2  VAL  18          HG23      VAL  18   7.071  -8.977  -7.996
  139   3HG2  VAL  18          HG22      VAL  18   7.779  -8.066  -9.330
  140    H    VAL  19           HN       VAL  19   7.792  -5.079  -5.389
  141    HA   VAL  19           HA       VAL  19   6.384  -2.703  -6.128
  142    HB   VAL  19           HB       VAL  19   7.674  -3.562  -3.527
  143   1HG1  VAL  19          HG11      VAL  19   6.231  -1.041  -4.293
  144   2HG1  VAL  19          HG13      VAL  19   6.013  -1.699  -2.671
  145   3HG1  VAL  19          HG12      VAL  19   7.624  -1.249  -3.231
  146   1HG2  VAL  19          HG21      VAL  19   4.960  -3.731  -4.784
  147   2HG2  VAL  19          HG23      VAL  19   5.818  -4.926  -3.812
  148   3HG2  VAL  19          HG22      VAL  19   5.056  -3.539  -3.033
  149    H    GLU  20           HN       GLU  20   9.767  -3.380  -5.692
  150    HA   GLU  20           HA       GLU  20  10.663  -0.688  -5.224
  151   1HB   GLU  20           HB2      GLU  20  12.160  -2.547  -4.787
  152   2HB   GLU  20           HB1      GLU  20  12.061  -3.075  -6.466
  153   1HG   GLU  20           HG2      GLU  20  12.858  -0.268  -6.203
  154   2HG   GLU  20           HG1      GLU  20  13.990  -1.381  -5.434
  155    H    ALA  21           HN       ALA  21  10.411  -2.631  -8.220
  156    HA   ALA  21           HA       ALA  21  11.279  -0.546  -9.976
  157   1HB   ALA  21           HB2      ALA  21   9.439  -2.904 -10.488
  158   2HB   ALA  21           HB1      ALA  21  10.134  -1.886 -11.749
  159   3HB   ALA  21           HB3      ALA  21  11.186  -2.867 -10.729
  160    H    ILE  22           HN       ILE  22   8.078  -1.441  -8.738
  161    HA   ILE  22           HA       ILE  22   6.540   0.321 -10.363
  162    HB   ILE  22           HB       ILE  22   6.069  -0.670  -7.537
  163   1HG1  ILE  22          HG12      ILE  22   4.867  -1.558 -10.177
  164   2HG1  ILE  22          HG11      ILE  22   6.229  -2.365  -9.400
  165   1HG2  ILE  22          HG21      ILE  22   4.821   1.463  -8.252
  166   2HG2  ILE  22          HG23      ILE  22   3.996   0.445  -9.432
  167   3HG2  ILE  22          HG22      ILE  22   3.829   0.110  -7.709
  168   1HD1  ILE  22          HD11      ILE  22   4.087  -1.949  -7.498
  169   2HD1  ILE  22          HD13      ILE  22   3.495  -2.821  -8.912
  170   3HD1  ILE  22          HD12      ILE  22   4.857  -3.458  -7.990
  171    H    ILE  23           HN       ILE  23   8.012   0.826  -7.147
  172    HA   ILE  23           HA       ILE  23   7.125   3.456  -6.688
  173    HB   ILE  23           HB       ILE  23   9.700   2.047  -5.960
  174   1HG1  ILE  23          HG12      ILE  23   7.312   2.987  -4.341
  175   2HG1  ILE  23          HG11      ILE  23   7.593   1.327  -4.868
  176   1HG2  ILE  23          HG23      ILE  23  10.114   4.503  -6.174
  177   2HG2  ILE  23          HG22      ILE  23   8.800   4.793  -5.034
  178   3HG2  ILE  23          HG21      ILE  23  10.249   3.934  -4.510
  179   1HD1  ILE  23          HD12      ILE  23   9.974   2.267  -3.592
  180   2HD1  ILE  23          HD11      ILE  23   8.608   2.626  -2.536
  181   3HD1  ILE  23          HD13      ILE  23   8.897   0.971  -3.072
  182    H    GLN  24           HN       GLN  24  10.133   2.426  -8.342
  183    HA   GLN  24           HA       GLN  24  10.939   5.045  -9.115
  184   1HB   GLN  24           HB2      GLN  24  11.644   2.291  -9.832
  185   2HB   GLN  24           HB1      GLN  24  11.765   3.394 -11.202
  186   1HG   GLN  24           HG2      GLN  24  13.878   3.230  -9.848
  187   2HG   GLN  24           HG1      GLN  24  13.236   4.868  -9.963
  188   1HE2  GLN  24          HE22      GLN  24  12.968   2.890  -6.365
  189   2HE2  GLN  24          HE21      GLN  24  13.116   1.989  -7.796
  190    H    ASP  25           HN       ASP  25   8.566   2.818 -10.476
  191    HA   ASP  25           HA       ASP  25   8.161   3.863 -13.034
  192   1HB   ASP  25           HB2      ASP  25   6.746   2.145 -11.442
  193   2HB   ASP  25           HB1      ASP  25   5.671   3.544 -11.459
  194    H    ASN  26           HN       ASN  26   7.101   5.155  -9.912
  195    HA   ASN  26           HA       ASN  26   6.164   7.638 -11.241
  196   1HB   ASN  26           HB2      ASN  26   6.090   7.000  -8.284
  197   2HB   ASN  26           HB1      ASN  26   5.102   8.155  -9.172
  198   1HD2  ASN  26          HD22      ASN  26   4.047   4.215  -9.122
  199   2HD2  ASN  26          HD21      ASN  26   5.523   4.719  -8.452
  200    HA   PRO  27           HA       PRO  27  10.081   9.253 -10.017
  201   1HB   PRO  27           HB2      PRO  27   9.435  11.857 -11.061
  202   2HB   PRO  27           HB1      PRO  27  10.479  10.623 -11.779
  203   1HG   PRO  27           HG2      PRO  27   7.858  11.418 -12.647
  204   2HG   PRO  27           HG1      PRO  27   8.894  10.163 -13.340
  205   1HD   PRO  27           HD2      PRO  27   6.491   9.817 -11.787
  206   2HD   PRO  27           HD1      PRO  27   7.521   8.562 -12.499
  207    H    HIS  28           HN       HIS  28   8.186   9.173  -7.957
  208    HA   HIS  28           HA       HIS  28   8.864  11.638  -6.501
  209   1HB   HIS  28           HB2      HIS  28   6.625  11.851  -7.831
  210   2HB   HIS  28           HB1      HIS  28   5.982  10.810  -6.565
  211    HD1  HIS  28           HD1      HIS  28   6.770  11.744  -4.007
  212    HD2  HIS  28           HD2      HIS  28   6.437  14.508  -7.111
  213    HE1  HIS  28           HE1      HIS  28   6.543  14.020  -2.919
  214    H    ALA  29           HN       ALA  29   6.845   8.682  -6.381
  215    HA   ALA  29           HA       ALA  29   6.596   8.266  -3.675
  216   1HB   ALA  29           HB2      ALA  29   6.924   6.466  -6.001
  217   2HB   ALA  29           HB1      ALA  29   7.273   5.735  -4.434
  218   3HB   ALA  29           HB3      ALA  29   5.694   6.460  -4.737
  219    H    VAL  30           HN       VAL  30   7.911   7.647  -1.966
  220    HA   VAL  30           HA       VAL  30  10.788   8.006  -2.336
  221    HB   VAL  30           HB       VAL  30   9.280   8.646  -0.277
  222   1HG1  VAL  30          HG12      VAL  30   9.968   5.747   0.294
  223   2HG1  VAL  30          HG11      VAL  30   9.450   6.896   1.524
  224   3HG1  VAL  30          HG13      VAL  30   8.358   6.460   0.210
  225   1HG2  VAL  30          HG23      VAL  30  12.045   8.126  -0.658
  226   2HG2  VAL  30          HG22      VAL  30  11.301   9.197   0.530
  227   3HG2  VAL  30          HG21      VAL  30  11.623   7.513   0.941
  228    H    VAL  31           HN       VAL  31  11.949   6.105  -0.699
  229    HA   VAL  31           HA       VAL  31  11.191   3.545  -2.024
  230    HB   VAL  31           HB       VAL  31  13.670   3.026  -1.891
  231   1HG1  VAL  31          HG12      VAL  31  12.312   4.057  -3.884
  232   2HG1  VAL  31          HG11      VAL  31  13.257   5.502  -3.525
  233   3HG1  VAL  31          HG13      VAL  31  14.073   4.001  -3.966
  234   1HG2  VAL  31          HG23      VAL  31  14.147   4.777  -0.156
  235   2HG2  VAL  31          HG22      VAL  31  15.211   4.873  -1.560
  236   3HG2  VAL  31          HG21      VAL  31  13.868   6.004  -1.391
  237    H    GLN  32           HN       GLN  32  13.174   2.050  -0.490
  238    HA   GLN  32           HA       GLN  32  11.855   2.149   2.183
  239   1HB   GLN  32           HB2      GLN  32  13.316  -0.251   1.113
  240   2HB   GLN  32           HB1      GLN  32  11.992  -0.186   2.272
  241   1HG   GLN  32           HG2      GLN  32  10.610  -0.658   0.553
  242   2HG   GLN  32           HG1      GLN  32  10.930   0.976  -0.030
  243   1HE2  GLN  32          HE22      GLN  32  12.307  -0.407  -2.962
  244   2HE2  GLN  32          HE21      GLN  32  11.213   0.692  -2.271
  245    H    HIS  33           HN       HIS  33  13.841   0.242   3.248
  246    HA   HIS  33           HA       HIS  33  16.014   2.217   3.715
  247   1HB   HIS  33           HB2      HIS  33  14.888   1.364   5.716
  248   2HB   HIS  33           HB1      HIS  33  15.255  -0.294   5.240
  249    HD1  HIS  33           HD1      HIS  33  18.039   1.823   4.353
  250    HD2  HIS  33           HD2      HIS  33  16.784  -0.070   7.848
  251    HE1  HIS  33           HE1      HIS  33  20.048   1.761   5.895
  252    H    HIS  34           HN       HIS  34  16.565  -1.187   4.296
  253    HA   HIS  34           HA       HIS  34  17.940  -1.663   1.776
  254   1HB   HIS  34           HB2      HIS  34  19.369  -0.475   4.015
  255   2HB   HIS  34           HB1      HIS  34  20.052  -2.036   3.568
  256    HD1  HIS  34           HD1      HIS  34  19.467  -1.893   0.498
  257    HD2  HIS  34           HD2      HIS  34  21.210   1.179   2.713
  258    HE1  HIS  34           HE1      HIS  34  20.756  -0.463  -1.149
  259    HA   PRO  35           HA       PRO  35  18.892  -5.385   4.689
  260   1HB   PRO  35           HB2      PRO  35  17.376  -4.974   7.108
  261   2HB   PRO  35           HB1      PRO  35  19.116  -5.246   6.937
  262   1HG   PRO  35           HG2      PRO  35  17.785  -2.789   7.603
  263   2HG   PRO  35           HG1      PRO  35  19.521  -3.059   7.397
  264   1HD   PRO  35           HD2      PRO  35  17.746  -1.631   5.647
  265   2HD   PRO  35           HD1      PRO  35  19.481  -1.926   5.434
  266    H    ALA  36           HN       ALA  36  17.161  -7.050   5.689
  267    HA   ALA  36           HA       ALA  36  15.165  -7.535   3.850
  268   1HB   ALA  36           HB2      ALA  36  15.918  -8.719   6.191
  269   2HB   ALA  36           HB1      ALA  36  14.322  -8.107   6.623
  270   3HB   ALA  36           HB3      ALA  36  14.505  -9.201   5.252
  271    H    MET  37           HN       MET  37  14.956  -5.347   6.636
  272    HA   MET  37           HA       MET  37  12.141  -4.842   6.437
  273   1HB   MET  37           HB2      MET  37  14.461  -3.260   7.556
  274   2HB   MET  37           HB1      MET  37  12.820  -2.615   7.567
  275   1HG   MET  37           HG2      MET  37  12.071  -4.700   8.746
  276   2HG   MET  37           HG1      MET  37  13.761  -5.194   8.852
  277   1HE   MET  37           HE2      MET  37  15.395  -4.478  10.130
  278   2HE   MET  37           HE1      MET  37  15.567  -2.767   9.748
  279   3HE   MET  37           HE3      MET  37  15.401  -3.289  11.430
  280    H    ILE  38           HN       ILE  38  11.014  -3.264   5.263
  281    HA   ILE  38           HA       ILE  38  12.567  -1.522   3.442
  282    HB   ILE  38           HB       ILE  38  11.217  -2.261   1.488
  283   1HG1  ILE  38          HG12      ILE  38  10.183  -4.258   3.516
  284   2HG1  ILE  38          HG11      ILE  38   9.241  -3.130   2.540
  285   1HG2  ILE  38          HG23      ILE  38  12.771  -4.423   2.948
  286   2HG2  ILE  38          HG22      ILE  38  12.316  -4.507   1.247
  287   3HG2  ILE  38          HG21      ILE  38  13.422  -3.251   1.801
  288   1HD1  ILE  38          HD11      ILE  38  10.926  -5.374   1.392
  289   2HD1  ILE  38          HD13      ILE  38   9.189  -5.483   1.666
  290   3HD1  ILE  38          HD12      ILE  38   9.825  -4.320   0.505
  291    H    ARG  39           HN       ARG  39  11.745   0.432   4.042
  292    HA   ARG  39           HA       ARG  39   8.890   0.670   4.772
  293   1HB   ARG  39           HB2      ARG  39  11.018   2.827   4.696
  294   2HB   ARG  39           HB1      ARG  39   9.457   2.906   5.512
  295   1HG   ARG  39           HG2      ARG  39  10.195   0.898   6.880
  296   2HG   ARG  39           HG1      ARG  39  11.807   1.130   6.202
  297   1HD   ARG  39           HD2      ARG  39  11.037   3.675   7.052
  298   2HD   ARG  39           HD1      ARG  39  10.470   2.605   8.332
  299    HE   ARG  39           HE       ARG  39  13.159   3.387   7.948
  300   1HH1  ARG  39          HH21      ARG  39  11.329   0.473   8.364
  301   2HH1  ARG  39          HH22      ARG  39  12.712  -0.466   8.804
  302   1HH2  ARG  39          HH11      ARG  39  14.939   2.164   8.548
  303   2HH2  ARG  39          HH12      ARG  39  14.740   0.485   8.921
  304    H    ILE  40           HN       ILE  40   7.832   2.795   3.854
  305    HA   ILE  40           HA       ILE  40   8.639   3.549   1.154
  306    HB   ILE  40           HB       ILE  40   6.198   1.802   1.596
  307   1HG1  ILE  40          HG12      ILE  40   8.725   1.559  -0.056
  308   2HG1  ILE  40          HG11      ILE  40   8.175   0.489   1.233
  309   1HG2  ILE  40          HG21      ILE  40   7.018   3.477  -0.793
  310   2HG2  ILE  40          HG23      ILE  40   5.792   2.212  -0.854
  311   3HG2  ILE  40          HG22      ILE  40   5.540   3.636   0.155
  312   1HD1  ILE  40          HD11      ILE  40   6.185  -0.096  -0.157
  313   2HD1  ILE  40          HD13      ILE  40   6.848   0.885  -1.464
  314   3HD1  ILE  40          HD12      ILE  40   7.708  -0.554  -0.918
  315    H    GLU  41           HN       GLU  41   6.972   5.115   0.225
  316    HA   GLU  41           HA       GLU  41   5.201   6.350   2.289
  317   1HB   GLU  41           HB2      GLU  41   7.689   7.369   1.936
  318   2HB   GLU  41           HB1      GLU  41   6.848   8.213   0.638
  319   1HG   GLU  41           HG2      GLU  41   6.594   9.647   2.492
  320   2HG   GLU  41           HG1      GLU  41   5.067   8.773   2.432
  321    H    ALA  42           HN       ALA  42   3.857   8.127   1.175
  322    HA   ALA  42           HA       ALA  42   3.470   7.601  -1.720
  323   1HB   ALA  42           HB2      ALA  42   1.882   6.295   0.001
  324   2HB   ALA  42           HB1      ALA  42   1.010   7.825  -0.065
  325   3HB   ALA  42           HB3      ALA  42   1.288   6.908  -1.542
  326    H    GLU  43           HN       GLU  43   1.272   9.162  -2.153
  327    HA   GLU  43           HA       GLU  43   1.820  11.815  -0.945
  328   1HB   GLU  43           HB2      GLU  43   1.671  12.741  -3.355
  329   2HB   GLU  43           HB1      GLU  43   3.188  11.998  -2.846
  330   1HG   GLU  43           HG2      GLU  43   1.198  10.125  -3.977
  331   2HG   GLU  43           HG1      GLU  43   1.852  11.301  -5.119
  332    H    LYS  44           HN       LYS  44  -0.385  11.456   0.027
  333    HA   LYS  44           HA       LYS  44  -2.633  12.081  -0.007
  334   1HB   LYS  44           HB2      LYS  44  -3.493  13.228  -1.782
  335   2HB   LYS  44           HB1      LYS  44  -1.829  13.239  -2.353
  336   1HG   LYS  44           HG2      LYS  44  -2.528  10.893  -3.398
  337   2HG   LYS  44           HG1      LYS  44  -4.147  11.579  -3.276
  338   1HD   LYS  44           HD2      LYS  44  -3.778  13.048  -4.960
  339   2HD   LYS  44           HD1      LYS  44  -2.166  13.453  -4.368
  340   1HE   LYS  44           HE2      LYS  44  -2.509  10.732  -5.519
  341   2HE   LYS  44           HE1      LYS  44  -2.565  12.080  -6.655
  342   1HZ   LYS  44           HZ2      LYS  44  -0.476  12.701  -5.045
  343   2HZ   LYS  44           HZ1      LYS  44  -0.337  11.014  -5.194
  344   3HZ   LYS  44           HZ3      LYS  44  -0.355  11.989  -6.582
  345    H    ARG  45           HN       ARG  45  -4.682  11.029  -1.193
  346    HA   ARG  45           HA       ARG  45  -4.386   8.534  -2.377
  347   1HB   ARG  45           HB2      ARG  45  -3.899   8.471   0.466
  348   2HB   ARG  45           HB1      ARG  45  -5.258   7.436   0.027
  349   1HG   ARG  45           HG2      ARG  45  -2.655   7.340  -1.495
  350   2HG   ARG  45           HG1      ARG  45  -2.927   6.364  -0.052
  351   1HD   ARG  45           HD2      ARG  45  -5.003   5.456  -1.133
  352   2HD   ARG  45           HD1      ARG  45  -4.566   6.329  -2.601
  353    HE   ARG  45           HE       ARG  45  -2.304   4.831  -1.994
  354   1HH1  ARG  45          HH21      ARG  45  -5.670   4.233  -2.486
  355   2HH1  ARG  45          HH22      ARG  45  -5.427   2.634  -3.104
  356   1HH2  ARG  45          HH11      ARG  45  -1.977   2.746  -2.797
  357   2HH2  ARG  45          HH12      ARG  45  -3.341   1.793  -3.279
  358    H    LEU  46           HN       LEU  46  -6.550   7.103  -1.335
  359    HA   LEU  46           HA       LEU  46  -8.810   8.353  -0.471
  360   1HB   LEU  46           HB2      LEU  46  -8.200   9.245  -3.197
  361   2HB   LEU  46           HB1      LEU  46  -9.864   8.718  -2.945
  362    HG   LEU  46           HG       LEU  46  -8.484  10.575  -1.014
  363   1HD1  LEU  46          HD13      LEU  46  -8.908  11.254  -3.624
  364   2HD1  LEU  46          HD12      LEU  46 -10.413  11.769  -2.863
  365   3HD1  LEU  46          HD11      LEU  46  -8.870  12.393  -2.279
  366   1HD2  LEU  46          HD21      LEU  46 -11.371   9.954  -1.621
  367   2HD2  LEU  46          HD23      LEU  46 -10.465   9.451  -0.194
  368   3HD2  LEU  46          HD22      LEU  46 -10.817  11.159  -0.457
  369    H    GLU  47           HN       GLU  47 -10.802   7.349  -2.357
  370    HA   GLU  47           HA       GLU  47 -10.480   4.866  -3.436
  371   1HB   GLU  47           HB2      GLU  47  -9.914   4.614  -0.649
  372   2HB   GLU  47           HB1      GLU  47 -11.418   3.768  -0.985
  373   1HG   GLU  47           HG2      GLU  47 -10.331   2.553  -2.828
  374   2HG   GLU  47           HG1      GLU  47  -8.819   3.399  -2.496
  375    H    ILE  48           HN       ILE  48 -12.650   3.357  -2.543
  376    HA   ILE  48           HA       ILE  48 -14.956   4.885  -1.873
  377    HB   ILE  48           HB       ILE  48 -14.235   5.748  -4.252
  378   1HG1  ILE  48          HG12      ILE  48 -17.074   5.122  -4.447
  379   2HG1  ILE  48          HG11      ILE  48 -16.632   5.643  -2.820
  380   1HG2  ILE  48          HG23      ILE  48 -14.569   3.054  -4.857
  381   2HG2  ILE  48          HG22      ILE  48 -16.058   3.802  -5.437
  382   3HG2  ILE  48          HG21      ILE  48 -14.497   4.377  -6.020
  383   1HD1  ILE  48          HD11      ILE  48 -15.646   7.159  -5.228
  384   2HD1  ILE  48          HD13      ILE  48 -17.254   7.467  -4.572
  385   3HD1  ILE  48          HD12      ILE  48 -15.828   7.722  -3.567
  386    H    ARG  49           HN       ARG  49 -16.763   3.383  -3.709
  387    HA   ARG  49           HA       ARG  49 -16.652   0.819  -2.240
  388   1HB   ARG  49           HB2      ARG  49 -18.758   2.289  -2.583
  389   2HB   ARG  49           HB1      ARG  49 -18.783   1.623  -4.214
  390   1HG   ARG  49           HG2      ARG  49 -18.629  -0.687  -3.106
  391   2HG   ARG  49           HG1      ARG  49 -19.016   0.133  -1.594
  392   1HD   ARG  49           HD2      ARG  49 -21.167  -0.294  -2.243
  393   2HD   ARG  49           HD1      ARG  49 -20.939   1.181  -3.183
  394    HE   ARG  49           HE       ARG  49 -20.031  -0.808  -4.876
  395   1HH1  ARG  49          HH21      ARG  49 -22.892  -0.224  -3.029
  396   2HH1  ARG  49          HH22      ARG  49 -23.932  -1.050  -4.140
  397   1HH2  ARG  49          HH11      ARG  49 -21.381  -1.884  -6.333
  398   2HH2  ARG  49          HH12      ARG  49 -23.079  -1.988  -6.008
  399    H    ARG  50           HN       ARG  50 -16.522   2.020  -5.566
  400    HA   ARG  50           HA       ARG  50 -16.643  -0.482  -6.906
  401   1HB   ARG  50           HB2      ARG  50 -16.681   1.877  -7.919
  402   2HB   ARG  50           HB1      ARG  50 -14.921   1.828  -7.815
  403   1HG   ARG  50           HG2      ARG  50 -14.920   0.734  -9.783
  404   2HG   ARG  50           HG1      ARG  50 -15.648  -0.637  -8.944
  405   1HD   ARG  50           HD2      ARG  50 -17.644  -0.293  -9.937
  406   2HD   ARG  50           HD1      ARG  50 -17.617   1.425  -9.540
  407    HE   ARG  50           HE       ARG  50 -15.816   1.193 -11.638
  408   1HH1  ARG  50          HH21      ARG  50 -19.099   0.305 -11.038
  409   2HH1  ARG  50          HH22      ARG  50 -19.582   0.472 -12.692
  410   1HH2  ARG  50          HH11      ARG  50 -16.434   1.414 -13.799
  411   2HH2  ARG  50          HH12      ARG  50 -18.075   1.099 -14.254
  412    H    GLU  51           HN       GLU  51 -13.962   1.140  -5.280
  413    HA   GLU  51           HA       GLU  51 -11.815  -0.390  -6.319
  414   1HB   GLU  51           HB2      GLU  51 -12.163   0.711  -3.517
  415   2HB   GLU  51           HB1      GLU  51 -10.636   0.190  -4.228
  416   1HG   GLU  51           HG2      GLU  51 -12.210   2.150  -5.809
  417   2HG   GLU  51           HG1      GLU  51 -11.490   2.754  -4.316
  418    H    THR  52           HN       THR  52 -14.284  -1.217  -3.978
  419    HA   THR  52           HA       THR  52 -12.955  -3.474  -2.818
  420    HB   THR  52           HB       THR  52 -15.937  -3.331  -3.236
  421    HG1  THR  52           HG1      THR  52 -16.001  -1.606  -2.067
  422   1HG2  THR  52          HG23      THR  52 -14.155  -4.997  -1.785
  423   2HG2  THR  52          HG22      THR  52 -15.044  -4.038  -0.601
  424   3HG2  THR  52          HG21      THR  52 -15.918  -5.031  -1.768
  425    H    VAL  53           HN       VAL  53 -15.065  -3.152  -5.668
  426    HA   VAL  53           HA       VAL  53 -15.311  -5.893  -6.297
  427    HB   VAL  53           HB       VAL  53 -14.952  -3.544  -8.188
  428   1HG1  VAL  53          HG13      VAL  53 -14.582  -5.992  -9.031
  429   2HG1  VAL  53          HG12      VAL  53 -16.330  -6.137  -8.847
  430   3HG1  VAL  53          HG11      VAL  53 -15.656  -4.931  -9.944
  431   1HG2  VAL  53          HG22      VAL  53 -17.243  -4.708  -6.674
  432   2HG2  VAL  53          HG21      VAL  53 -16.936  -3.033  -7.133
  433   3HG2  VAL  53          HG23      VAL  53 -17.560  -4.174  -8.324
  434    H    GLU  54           HN       GLU  54 -12.612  -3.694  -6.581
  435    HA   GLU  54           HA       GLU  54 -10.986  -5.419  -8.255
  436   1HB   GLU  54           HB2      GLU  54 -10.273  -3.165  -8.238
  437   2HB   GLU  54           HB1      GLU  54 -10.433  -3.033  -6.489
  438   1HG   GLU  54           HG2      GLU  54  -8.328  -3.766  -6.149
  439   2HG   GLU  54           HG1      GLU  54  -8.553  -5.127  -7.248
  440    H    GLU  55           HN       GLU  55 -11.397  -4.884  -4.780
  441    HA   GLU  55           HA       GLU  55  -9.339  -6.608  -3.854
  442   1HB   GLU  55           HB2      GLU  55 -11.926  -5.592  -2.754
  443   2HB   GLU  55           HB1      GLU  55 -11.165  -6.950  -1.927
  444   1HG   GLU  55           HG2      GLU  55  -9.069  -5.666  -1.732
  445   2HG   GLU  55           HG1      GLU  55  -9.826  -4.305  -2.560
  446    H    ASN  56           HN       ASN  56 -12.837  -7.413  -4.111
  447    HA   ASN  56           HA       ASN  56 -12.684 -10.179  -3.730
  448   1HB   ASN  56           HB2      ASN  56 -14.650  -8.435  -4.634
  449   2HB   ASN  56           HB1      ASN  56 -14.386  -9.480  -6.030
  450   1HD2  ASN  56          HD22      ASN  56 -15.402 -11.450  -2.560
  451   2HD2  ASN  56          HD21      ASN  56 -14.265 -10.191  -2.491
  452    H    LEU  57           HN       LEU  57 -11.798  -8.362  -6.682
  453    HA   LEU  57           HA       LEU  57 -11.376 -10.648  -8.352
  454   1HB   LEU  57           HB2      LEU  57 -11.238  -8.334  -9.238
  455   2HB   LEU  57           HB1      LEU  57  -9.794  -8.050  -8.266
  456    HG   LEU  57           HG       LEU  57  -8.897 -10.199  -9.492
  457   1HD1  LEU  57          HD13      LEU  57 -11.110  -9.206 -11.306
  458   2HD1  LEU  57          HD12      LEU  57  -9.789 -10.236 -11.859
  459   3HD1  LEU  57          HD11      LEU  57 -10.919 -10.828 -10.640
  460   1HD2  LEU  57          HD23      LEU  57  -8.965  -7.345 -10.231
  461   2HD2  LEU  57          HD22      LEU  57  -7.587  -8.434 -10.078
  462   3HD2  LEU  57          HD21      LEU  57  -8.541  -8.423 -11.561
  463    H    GLY  58           HN       GLY  58  -9.187  -8.904  -6.164
  464   1HA   GLY  58           HA2      GLY  58  -7.149 -11.009  -6.293
  465   2HA   GLY  58           HA1      GLY  58  -7.124  -9.602  -5.220
  466    H    ARG  59           HN       ARG  59 -10.055 -11.275  -5.265
  467    HA   ARG  59           HA       ARG  59 -11.217 -12.675  -3.844
  468   1HB   ARG  59           HB2      ARG  59  -9.454 -14.175  -4.275
  469   2HB   ARG  59           HB1      ARG  59  -8.446 -13.330  -3.129
  470   1HG   ARG  59           HG2      ARG  59  -9.378 -14.380  -1.335
  471   2HG   ARG  59           HG1      ARG  59 -11.003 -14.185  -1.991
  472   1HD   ARG  59           HD2      ARG  59 -10.983 -16.229  -3.007
  473   2HD   ARG  59           HD1      ARG  59  -9.272 -16.119  -3.422
  474    HE   ARG  59           HE       ARG  59  -9.248 -16.426  -0.676
  475   1HH1  ARG  59          HH21      ARG  59 -10.696 -18.070  -3.347
  476   2HH1  ARG  59          HH22      ARG  59 -10.645 -19.623  -2.585
  477   1HH2  ARG  59          HH11      ARG  59  -9.176 -18.448   0.327
  478   2HH2  ARG  59          HH12      ARG  59  -9.786 -19.838  -0.506
  479    H    ALA  60           HN       ALA  60 -11.066 -10.080  -3.153
  480    HA   ALA  60           HA       ALA  60 -11.221  -8.669  -1.288
  481   1HB   ALA  60           HB2      ALA  60 -12.653 -10.770  -0.556
  482   2HB   ALA  60           HB1      ALA  60 -11.260 -11.119   0.469
  483   3HB   ALA  60           HB3      ALA  60 -12.146  -9.607   0.669
  484    H    TRP  61           HN       TRP  61  -9.128  -7.959  -1.525
  485    HA   TRP  61           HA       TRP  61  -6.668  -8.766  -1.466
  486   1HB   TRP  61           HB2      TRP  61  -7.037  -6.434  -0.954
  487   2HB   TRP  61           HB1      TRP  61  -7.642  -6.833   0.651
  488    HD1  TRP  61           HD1      TRP  61  -4.389  -7.175  -1.405
  489    HE1  TRP  61           HE1      TRP  61  -2.395  -6.981   0.219
  490    HE3  TRP  61           HE3      TRP  61  -6.893  -6.858   3.030
  491    HZ2  TRP  61           HZ2      TRP  61  -1.925  -6.732   3.034
  492    HZ3  TRP  61           HZ3      TRP  61  -5.654  -6.644   5.165
  493    HH2  TRP  61           HH2      TRP  61  -3.175  -6.581   5.173
  494    H    ASP  62           HN       ASP  62  -6.858 -10.923  -0.883
  495    HA   ASP  62           HA       ASP  62  -6.833 -11.651   1.982
  496   1HB   ASP  62           HB2      ASP  62  -8.431 -12.842   0.579
  497   2HB   ASP  62           HB1      ASP  62  -7.179 -13.218  -0.600
  498    H    VAL  63           HN       VAL  63  -4.521 -10.564   1.835
  499    HA   VAL  63           HA       VAL  63  -2.483 -12.338   0.636
  500    HB   VAL  63           HB       VAL  63  -2.067  -9.881   2.348
  501   1HG1  VAL  63          HG13      VAL  63  -0.344 -11.396   0.369
  502   2HG1  VAL  63          HG12      VAL  63   0.082  -9.814   1.021
  503   3HG1  VAL  63          HG11      VAL  63  -0.060 -11.202   2.099
  504   1HG2  VAL  63          HG22      VAL  63  -2.476 -10.157  -0.643
  505   2HG2  VAL  63          HG21      VAL  63  -3.437  -9.197   0.483
  506   3HG2  VAL  63          HG23      VAL  63  -1.780  -8.724   0.112
  507    H    GLN  64           HN       GLN  64  -4.285 -12.590   3.313
  508    HA   GLN  64           HA       GLN  64  -2.725 -12.796   5.576
  509   1HB   GLN  64           HB2      GLN  64  -4.947 -14.513   4.513
  510   2HB   GLN  64           HB1      GLN  64  -4.105 -15.012   5.982
  511   1HG   GLN  64           HG2      GLN  64  -6.057 -13.636   6.557
  512   2HG   GLN  64           HG1      GLN  64  -4.570 -12.789   6.983
  513   1HE2  GLN  64          HE22      GLN  64  -5.201 -10.094   4.804
  514   2HE2  GLN  64          HE21      GLN  64  -4.231 -10.746   6.035
  515    H    GLU  65           HN       GLU  65  -2.608 -14.882   2.744
  516    HA   GLU  65           HA       GLU  65  -0.976 -16.951   3.905
  517   1HB   GLU  65           HB2      GLU  65  -1.818 -16.125   1.193
  518   2HB   GLU  65           HB1      GLU  65  -0.264 -16.956   1.263
  519   1HG   GLU  65           HG2      GLU  65  -1.196 -18.919   2.105
  520   2HG   GLU  65           HG1      GLU  65  -2.594 -18.083   2.783
  521    H    MET  66           HN       MET  66  -0.156 -14.089   1.940
  522    HA   MET  66           HA       MET  66   2.705 -14.471   2.197
  523   1HB   MET  66           HB2      MET  66   0.897 -12.699   0.845
  524   2HB   MET  66           HB1      MET  66   2.114 -11.746   1.690
  525   1HG   MET  66           HG2      MET  66   3.851 -13.336   0.674
  526   2HG   MET  66           HG1      MET  66   2.555 -13.909  -0.377
  527   1HE   MET  66           HE3      MET  66   2.992 -13.602  -2.256
  528   2HE   MET  66           HE2      MET  66   2.277 -12.197  -3.040
  529   3HE   MET  66           HE1      MET  66   4.029 -12.375  -2.996
  530    H    LEU  67           HN       LEU  67   0.388 -13.499   4.405
  531    HA   LEU  67           HA       LEU  67   1.249 -11.297   5.776
  532   1HB   LEU  67           HB2      LEU  67   0.200 -12.123   7.672
  533   2HB   LEU  67           HB1      LEU  67  -0.519 -13.133   6.423
  534    HG   LEU  67           HG       LEU  67   1.900 -13.924   8.075
  535   1HD1  LEU  67          HD12      LEU  67  -0.298 -13.671   9.336
  536   2HD1  LEU  67          HD11      LEU  67  -0.933 -14.960   8.313
  537   3HD1  LEU  67          HD13      LEU  67   0.428 -15.278   9.390
  538   1HD2  LEU  67          HD22      LEU  67   0.876 -14.921   5.643
  539   2HD2  LEU  67          HD21      LEU  67   2.056 -15.702   6.692
  540   3HD2  LEU  67          HD23      LEU  67   0.339 -16.056   6.879
  541    H    VAL  68           HN       VAL  68   3.084 -14.271   5.464
  542    HA   VAL  68           HA       VAL  68   4.855 -14.252   7.565
  543    HB   VAL  68           HB       VAL  68   4.940 -15.693   5.446
  544   1HG1  VAL  68          HG13      VAL  68   5.136 -13.775   3.867
  545   2HG1  VAL  68          HG12      VAL  68   6.735 -13.433   4.528
  546   3HG1  VAL  68          HG11      VAL  68   6.439 -14.947   3.675
  547   1HG2  VAL  68          HG23      VAL  68   7.517 -14.566   6.584
  548   2HG2  VAL  68          HG22      VAL  68   6.578 -15.890   7.274
  549   3HG2  VAL  68          HG21      VAL  68   7.373 -16.092   5.713
  550    H    ASP  69           HN       ASP  69   5.117 -12.107   4.714
  551    HA   ASP  69           HA       ASP  69   7.353 -10.622   5.829
  552   1HB   ASP  69           HB2      ASP  69   5.529  -9.370   3.813
  553   2HB   ASP  69           HB1      ASP  69   7.290  -9.384   3.872
  554    H    VAL  70           HN       VAL  70   7.245  -8.569   6.894
  555    HA   VAL  70           HA       VAL  70   4.753  -8.132   8.373
  556    HB   VAL  70           HB       VAL  70   7.113  -7.673   9.273
  557   1HG1  VAL  70          HG13      VAL  70   7.785  -6.391   7.207
  558   2HG1  VAL  70          HG12      VAL  70   6.741  -5.085   7.747
  559   3HG1  VAL  70          HG11      VAL  70   8.133  -5.564   8.718
  560   1HG2  VAL  70          HG21      VAL  70   4.778  -6.766  10.095
  561   2HG2  VAL  70          HG23      VAL  70   6.264  -6.098  10.770
  562   3HG2  VAL  70          HG22      VAL  70   5.396  -5.222   9.509
  563    H    ILE  71           HN       ILE  71   3.917  -5.711   8.430
  564    HA   ILE  71           HA       ILE  71   4.073  -4.383   5.802
  565    HB   ILE  71           HB       ILE  71   1.350  -5.163   6.837
  566   1HG1  ILE  71          HG12      ILE  71   3.018  -6.693   4.813
  567   2HG1  ILE  71          HG11      ILE  71   2.686  -7.237   6.458
  568   1HG2  ILE  71          HG21      ILE  71   2.479  -3.738   4.547
  569   2HG2  ILE  71          HG23      ILE  71   1.370  -5.021   4.061
  570   3HG2  ILE  71          HG22      ILE  71   0.823  -3.749   5.155
  571   1HD1  ILE  71          HD12      ILE  71   0.303  -6.438   4.899
  572   2HD1  ILE  71          HD11      ILE  71   1.131  -7.881   4.315
  573   3HD1  ILE  71          HD13      ILE  71   0.535  -7.817   5.974
  574    H    THR  72           HN       THR  72   3.071  -2.236   5.857
  575    HA   THR  72           HA       THR  72   2.107  -1.279   8.465
  576    HB   THR  72           HB       THR  72   4.309   0.343   7.258
  577    HG1  THR  72           HG1      THR  72   4.897  -1.581   9.199
  578   1HG2  THR  72          HG23      THR  72   3.110  -0.121   9.984
  579   2HG2  THR  72          HG22      THR  72   4.655   0.706   9.784
  580   3HG2  THR  72          HG21      THR  72   3.193   1.382   9.065
  581    H    ILE  73           HN       ILE  73   1.003   0.738   8.303
  582    HA   ILE  73           HA       ILE  73   0.592   1.791   5.558
  583    HB   ILE  73           HB       ILE  73  -1.346   0.561   5.574
  584   1HG1  ILE  73          HG12      ILE  73  -1.922   3.079   5.852
  585   2HG1  ILE  73          HG11      ILE  73  -3.214   1.907   6.091
  586   1HG2  ILE  73          HG22      ILE  73  -0.875   0.507   8.508
  587   2HG2  ILE  73          HG21      ILE  73  -2.540   0.285   7.972
  588   3HG2  ILE  73          HG23      ILE  73  -1.277  -0.807   7.404
  589   1HD1  ILE  73          HD13      ILE  73  -1.743   2.376   8.559
  590   2HD1  ILE  73          HD12      ILE  73  -2.407   3.875   7.909
  591   3HD1  ILE  73          HD11      ILE  73  -3.474   2.513   8.248
  592    H    GLY  74           HN       GLY  74  -0.350   4.026   5.603
  593   1HA   GLY  74           HA2      GLY  74  -0.450   5.388   8.190
  594   2HA   GLY  74           HA1      GLY  74   0.950   5.822   7.215
  595    H    GLY  75           HN       GLY  75  -2.554   5.477   6.882
  596   1HA   GLY  75           HA2      GLY  75  -2.595   8.039   5.367
  597   2HA   GLY  75           HA1      GLY  75  -3.581   6.661   4.861
  598    H    ASN  76           HN       ASN  76  -5.567   6.411   5.806
  599    HA   ASN  76           HA       ASN  76  -6.159   7.367   8.495
  600   1HB   ASN  76           HB2      ASN  76  -6.211   9.410   6.794
  601   2HB   ASN  76           HB1      ASN  76  -7.787   8.735   6.381
  602   1HD2  ASN  76          HD22      ASN  76  -7.226  10.141  10.214
  603   2HD2  ASN  76          HD21      ASN  76  -5.889   9.555   9.349
  604    H    VAL  77           HN       VAL  77  -9.056   7.738   7.609
  605    HA   VAL  77           HA       VAL  77  -9.816   5.312   6.270
  606    HB   VAL  77           HB       VAL  77  -9.069   4.252   8.345
  607   1HG1  VAL  77          HG11      VAL  77  -9.946   6.600   9.542
  608   2HG1  VAL  77          HG13      VAL  77 -11.136   5.408  10.067
  609   3HG1  VAL  77          HG12      VAL  77  -9.422   5.146  10.393
  610   1HG2  VAL  77          HG23      VAL  77 -12.085   4.425   8.057
  611   2HG2  VAL  77          HG22      VAL  77 -11.016   3.257   7.282
  612   3HG2  VAL  77          HG21      VAL  77 -11.252   3.211   9.029
  613    H    ASP  78           HN       ASP  78 -11.328   6.526   5.159
  614    HA   ASP  78           HA       ASP  78 -13.477   7.794   6.802
  615   1HB   ASP  78           HB2      ASP  78 -13.635   8.623   4.069
  616   2HB   ASP  78           HB1      ASP  78 -13.301   9.601   5.492
  617    H    GLU  79           HN       GLU  79 -15.441   6.866   6.661
  618    HA   GLU  79           HA       GLU  79 -16.020   5.137   4.291
  619   1HB   GLU  79           HB2      GLU  79 -17.126   3.530   5.734
  620   2HB   GLU  79           HB1      GLU  79 -15.497   3.799   6.353
  621   1HG   GLU  79           HG2      GLU  79 -16.266   5.135   8.139
  622   2HG   GLU  79           HG1      GLU  79 -17.832   5.411   7.376
  623    H    ASP  80           HN       ASP  80 -18.235   5.123   3.622
  624    HA   ASP  80           HA       ASP  80 -19.827   7.384   4.763
  625   1HB   ASP  80           HB2      ASP  80 -19.524   6.272   1.998
  626   2HB   ASP  80           HB1      ASP  80 -21.060   7.014   2.442
  627    H    ASP  81           HN       ASP  81 -21.451   5.199   2.634
  628    HA   ASP  81           HA       ASP  81 -22.957   4.127   4.974
  629   1HB   ASP  81           HB2      ASP  81 -23.662   4.790   2.151
  630   2HB   ASP  81           HB1      ASP  81 -24.497   3.423   2.890
  631    H    ASP  82           HN       ASP  82 -21.781   3.093   1.759
  632    HA   ASP  82           HA       ASP  82 -21.187   0.419   2.960
  633   1HB   ASP  82           HB2      ASP  82 -22.486   1.015   0.281
  634   2HB   ASP  82           HB1      ASP  82 -21.824  -0.561   0.713
  635    H    ARG  83           HN       ARG  83 -20.604   2.787   0.430
  636    HA   ARG  83           HA       ARG  83 -18.374   1.706  -0.866
  637   1HB   ARG  83           HB2      ARG  83 -18.596   4.616  -0.093
  638   2HB   ARG  83           HB1      ARG  83 -17.892   3.925  -1.546
  639   1HG   ARG  83           HG2      ARG  83 -19.871   4.107  -2.592
  640   2HG   ARG  83           HG1      ARG  83 -20.582   3.013  -1.405
  641   1HD   ARG  83           HD2      ARG  83 -20.248   5.573  -0.180
  642   2HD   ARG  83           HD1      ARG  83 -21.054   5.812  -1.727
  643    HE   ARG  83           HE       ARG  83 -22.299   4.814   0.605
  644   1HH1  ARG  83          HH21      ARG  83 -21.951   3.948  -2.733
  645   2HH1  ARG  83          HH22      ARG  83 -23.295   2.861  -2.710
  646   1HH2  ARG  83          HH11      ARG  83 -24.061   3.425   0.615
  647   2HH2  ARG  83          HH12      ARG  83 -24.489   2.572  -0.830
  648    H    PHE  84           HN       PHE  84 -16.137   3.029  -0.542
  649    HA   PHE  84           HA       PHE  84 -15.359   3.384   2.248
  650   1HB   PHE  84           HB2      PHE  84 -15.339   0.801   1.548
  651   2HB   PHE  84           HB1      PHE  84 -13.797   1.260   0.827
  652    HD1  PHE  84           HD2      PHE  84 -13.349   3.556   2.940
  653    HD2  PHE  84           HD1      PHE  84 -14.262  -0.631   3.237
  654    HE1  PHE  84           HE2      PHE  84 -12.278   3.481   5.175
  655    HE2  PHE  84           HE1      PHE  84 -13.192  -0.705   5.472
  656    HZ   PHE  84           HZ       PHE  84 -12.200   1.350   6.442
  657    H    VAL  85           HN       VAL  85 -14.203   5.248   1.932
  658    HA   VAL  85           HA       VAL  85 -12.232   5.252  -0.314
  659    HB   VAL  85           HB       VAL  85 -14.012   6.801  -0.866
  660   1HG1  VAL  85          HG12      VAL  85 -14.755   6.997   1.573
  661   2HG1  VAL  85          HG11      VAL  85 -13.478   8.197   1.765
  662   3HG1  VAL  85          HG13      VAL  85 -14.798   8.489   0.633
  663   1HG2  VAL  85          HG21      VAL  85 -11.302   7.548  -0.455
  664   2HG2  VAL  85          HG23      VAL  85 -12.453   8.257  -1.588
  665   3HG2  VAL  85          HG22      VAL  85 -12.292   8.921   0.038
  666    H    LEU  86           HN       LEU  86 -10.140   6.072   0.192
  667    HA   LEU  86           HA       LEU  86  -9.803   7.253   2.888
  668   1HB   LEU  86           HB2      LEU  86  -9.691   4.868   3.355
  669   2HB   LEU  86           HB1      LEU  86  -8.546   4.636   2.038
  670    HG   LEU  86           HG       LEU  86  -7.588   4.745   4.420
  671   1HD1  LEU  86          HD13      LEU  86  -6.595   5.614   1.935
  672   2HD1  LEU  86          HD12      LEU  86  -6.106   6.847   3.096
  673   3HD1  LEU  86          HD11      LEU  86  -5.653   5.163   3.357
  674   1HD2  LEU  86          HD22      LEU  86  -8.352   7.630   3.970
  675   2HD2  LEU  86          HD21      LEU  86  -8.823   6.594   5.297
  676   3HD2  LEU  86          HD23      LEU  86  -7.155   7.134   5.151
  677    H    GLU  87           HN       GLU  87  -8.320   8.814   2.805
  678    HA   GLU  87           HA       GLU  87  -6.305   8.714   0.632
  679   1HB   GLU  87           HB2      GLU  87  -6.548  11.333   1.779
  680   2HB   GLU  87           HB1      GLU  87  -6.773  10.855   0.114
  681   1HG   GLU  87           HG2      GLU  87  -8.901  11.651   0.592
  682   2HG   GLU  87           HG1      GLU  87  -9.100   9.950   1.012
  683    H    TRP  88           HN       TRP  88  -4.490  10.362   1.296
  684    HA   TRP  88           HA       TRP  88  -2.949   9.238   3.366
  685   1HB   TRP  88           HB2      TRP  88  -1.851  10.960   2.133
  686   2HB   TRP  88           HB1      TRP  88  -3.116  12.137   2.501
  687    HD1  TRP  88           HD1      TRP  88  -1.638   9.805   5.134
  688    HE1  TRP  88           HE1      TRP  88  -0.411  11.204   6.918
  689    HE3  TRP  88           HE3      TRP  88  -1.942  14.433   3.001
  690    HZ2  TRP  88           HZ2      TRP  88   0.331  13.924   7.385
  691    HZ3  TRP  88           HZ3      TRP  88  -0.972  16.410   4.135
  692    HH2  TRP  88           HH2      TRP  88   0.161  16.161   6.326
  693    H    LYS  89           HN       LYS  89  -4.132  12.461   4.174
  694    HA   LYS  89           HA       LYS  89  -5.923  11.575   6.273
  695   1HB   LYS  89           HB2      LYS  89  -3.530  11.088   7.139
  696   2HB   LYS  89           HB1      LYS  89  -3.372  12.840   7.273
  697   1HG   LYS  89           HG2      LYS  89  -5.883  12.201   8.395
  698   2HG   LYS  89           HG1      LYS  89  -4.749  11.011   9.034
  699   1HD   LYS  89           HD2      LYS  89  -3.275  12.747   9.841
  700   2HD   LYS  89           HD1      LYS  89  -4.222  13.994   9.029
  701   1HE   LYS  89           HE2      LYS  89  -5.773  14.054  10.681
  702   2HE   LYS  89           HE1      LYS  89  -5.812  12.297  10.827
  703   1HZ   LYS  89           HZ1      LYS  89  -3.590  12.515  11.959
  704   2HZ   LYS  89           HZ3      LYS  89  -3.882  14.184  12.044
  705   3HZ   LYS  89           HZ2      LYS  89  -4.926  13.099  12.832
  706    H    ASN  90           HN       ASN  90  -5.954  13.475   4.091
  707    HA   ASN  90           HA       ASN  90  -5.790  16.123   5.393
  708   1HB   ASN  90           HB2      ASN  90  -5.274  15.378   2.848
  709   2HB   ASN  90           HB1      ASN  90  -6.970  15.836   2.678
  710   1HD2  ASN  90          HD22      ASN  90  -5.818  19.161   2.288
  711   2HD2  ASN  90          HD21      ASN  90  -6.602  17.841   1.563
   
  No H/Q in entry =         711