*HEADER    ELECTRON TRANSPORT                      10-JUN-98   1GPX      
*TITLE     C85S GAPDX, NMR, 20 STRUCTURES                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: PUTIDAREDOXIN;                                     
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: C85S GAPDX;                                         
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MUTATION: C85S;                                              
*COMPND   7 BIOLOGICAL_UNIT: MONOMER;                                    
*COMPND   8 OTHER_DETAILS: COORDINATION OF GA+3 BY SG OF CYS 39, CYS     
*COMPND   9 45, CYS 48 AND CYS 86                                        
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA;                     
*SOURCE   3 PLASMID: PKM536;                                             
*SOURCE   4 GENE: CAMB;                                                  
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 OTHER_DETAILS: FROM P. PUTIDA CAMPHOR HYDROXYLASE SYSTEM     
*KEYWDS    ELECTRON TRANSPORT, GAPDX C85S, 20 STRUCTURES ALIGNED AND SA  
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    T.C.POCHAPSKY,M.KUTI,S.KAZANIS                                
*REVDAT   1   12-OCT-04 1GPX    0   

NOE restraints for GaPdx C85S

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 (resid 2 and name hn)
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 (resid 2 and name hn)
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assign (resid 1 and name hb1)
 (resid 90 and name hg*)
    4.00     2.20     0.30
assign (resid 1 and name hb2)
 (resid 90 and name hg*)
    5.00     3.20     0.30
assign (resid 1 and name hb1)
 (resid 90 and name he*)
    3.00     1.20     0.30
assign (resid 1 and name hb2)
 (resid 90 and name he*)
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assign (resid 1 and name hb2)
 (resid 94 and name hb*)
    5.00     3.20     0.30
assign (resid 1 and name hb1)
(resid 95 and name ha)
    4.00     2.20     0.30
assign (resid 1 and name hb2)
(resid 95 and name ha)
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assign (resid 1 and name hb1)
(resid 95 and name hb2)
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assign (resid 1 and name hb2)
(resid 95 and name hb2)
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assign (resid 1 and name hb1)
 (resid 96 and name hn)
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assign (resid 1 and name hb2)
 (resid 96 and name hn)
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assign (resid 2 and name hn)
 (resid 3 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name ha)
(resid 3 and name hn)
    3.00     1.20     0.30
assign (resid 2 and name hb2)
 (resid 3 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name hg*)
 (resid 3 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name ha)
 (resid 16 and name ha)
    3.00     1.20     0.30
assign (resid 2 and name hn)
 (resid 95 and name ha)
    4.00     2.20     0.30
assign (resid 2 and name hn)
 (resid 95 and name hb*)
    5.00     3.20     0.30
assign (resid 2 and name hb2)
 (resid 95 and name ha)
    5.00     3.20     0.30
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  (resid 96 and name hn)
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assign (resid 2 and name hn)
 (resid 96 and name hn)
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assign (resid 2 and name hn)
 (resid 96 and name ha*)
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assign (resid 2 and name hb1)
 (resid 96 and name hn)
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assign (resid 2 and name hb2)
 (resid 96 and name hn)
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  (resid 97 and name hn)
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assign (resid 2 and name hb*)
 (resid 97 and name hn)
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assign (resid 3 and name ha)
 (resid 4 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name hb)
 (resid 4 and name hn)
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assign (resid 3 and name hg1*)
 (resid 4 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hg2*)
 (resid 4 and name hn)
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assign (resid 3 and name hg1*)
 (resid 5 and name hd*)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name hd*)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name he*)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name he*)
    6.00     4.20     0.30
assign (resid 3 and name hg1*)
 (resid 14 and name ha)
    5.00     3.20     0.30
assign (resid 3 and name hn)
 (resid 14 and name ha)
    5.00     3.20     0.30
assign (resid 3 and name hn)
 (resid 15 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name ha)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hb1)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hb2)
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assign (resid 3 and name hn)
 (resid 16 and name ha)
    3.00     1.20     0.30
assign (resid 3 and name hn)
 (resid 17 and name hn)
   5.00     3.20     0.30
assign (resid 3 and name hb)
 (resid 17 and name hg2*)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
(resid 17 and name hb)
    5.00     3.20     0.30
assign (resid 3 and name hg2*)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
(resid 17 and name hg2*)
   5.00     3.20     0.30
assign (resid 3 and name hg2*)
 (resid 17 and name hg2*)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 23 and name hd1*)
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assign (resid 3 and name hg1*)
 (resid 23 and name hg)
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assign (resid 3 and name hg2*)
 (resid 90 and name he*)
    4.00     2.20     0.30
assign (resid 3 and name ha)
 (resid 96 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name ha)
 (resid 97 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name ha)
 (resid 97 and name hg2*)
    3.00     1.20     0.30
assign (resid 3 and name hg1*)
 (resid 97 and name hg2*)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 99 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 99 and name hg2*)
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assign (resid 4 and name ha)
 (resid 5 and name hn)
    3.00     1.20     0.30
assign (resid 4 and name ha)
 (resid 5 and name hd*)
    4.00     2.20     0.30
assign (resid 4 and name hn)
 (resid 5 and name hd*)
    5.00     3.20     0.30
assign (resid 4 and name hb)
 (resid 5 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hg1*)
 (resid 5 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hg1*)
 (resid 12 and name hd*)
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 (resid 14 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name hb)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 4 and name hg2*)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 4 and name hg2*)
 (resid 14 and name hb*)
    4.00     2.20     0.30
assign (resid 4 and name ha)
 (resid 15 and name hn)
    3.00     1.20     0.30
assign (resid 4 and name hn)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hn)
 (resid 98 and name ha)
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assign (resid 4 and name hn)
 (resid 99 and name hn)
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assign (resid 5 and name ha)
(resid 6 and name hn)
    3.00     1.20     0.30
assign (resid 5 and name hb1)
 (resid 6 and name hn)
    3.00     1.20     0.30
assign (resid 5 and name hb2)
 (resid 6 and name hn)
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assign (resid 5 and name hd*)
 (resid 6 and name hn)
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assign (resid 5 and name hd*)
 (resid 6 and name hn)
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assign (resid 5 and name hn)
 (resid 13 and name hn)
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assign (resid 5 and name hb1)
 (resid 13 and name hb*)
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assign (resid 5 and name hb2)
 (resid 13 and name hb*)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 13 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 13 and name hg*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 13 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hn)
 (resid 14 and name ha)
    3.00     1.20     0.30
assign (resid 5 and name hd*)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 14 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 14 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 15 and name hb1)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 15 and name hb2)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 15 and name hd1*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 15 and name hd2*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 15 and name hg)
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assign (resid 5 and name he*)
 (resid 15 and name hg)
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assign (resid 5 and name he*)
 (resid 15 and name hd1*)
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assign (resid 5 and name he*)
 (resid 15 and name hd2*)
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 (resid 23 and name hd1*)
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assign (resid 5 and name he*)
 (resid 23 and name ha)
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assign (resid 5 and name he*)
 (resid 23 and name hd2*)
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assign (resid 5 and name he*)
 (resid 26 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
  (resid 27 and name hn)
     5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 27 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 27 and name hb*)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 27 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hb1)
 (resid 32 and name hg2*)
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assign (resid 5 and name hb1)
 (resid 32 and name hd1*)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 32 and name hd1*)
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assign (resid 5 and name hd*)
 (resid 32 and name hg2*)
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assign (resid 5 and name hd*)
 (resid 32 and name hd1*)
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assign (resid 5 and name he*)
 (resid 32 and name hg22)
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assign (resid 5 and name he*)
 (resid 32 and name hd1*)
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assign (resid 5 and name he*)
 (resid 33 and name he*)
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assign (resid 5 and name he*)
 (resid 50 and name hg1*)
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assign (resid 5 and name ha)
 (resid 99 and name hn)
    3.00     1.20     0.30
assign (resid 5 and name ha)
 (resid 99 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 99 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 99 and name hg1*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 99 and name hg2*)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 99 and name hg1*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 99 and name hg2*)
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assign (resid 6 and name ha)
  (resid 7 and name hn)
     3.00     1.20     0.30
assign (resid 6 and name hb)
 (resid 7 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hg1*)
 (resid 7 and name hn)
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assign (resid 6 and name hg2*)
 (resid 7 and name hn)
    6.00     4.20     0.30
assign (resid 6 and name hg1*)
 (resid 10 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hg1*)
 (resid 10 and name ha2)
    4.00     2.20     0.30
assign (resid 6 and name hg1*)
 (resid 10 and name ha1)
    5.00     3.20     0.30
assign (resid 6 and name ha)
 (resid 12 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name hg1*)
 (resid 12 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hg1*)
 (resid 12 and name hg1)
    5.00     3.20     0.30
assign (resid 6 and name hg1*)
 (resid 12 and name hg2)
    5.00     3.20     0.30
assign (resid 6 and name hg2*)
 (resid 12 and name ha)
    4.00     2.20     0.30
assign (resid 6 and name hg2*)
 (resid 13 and name hn)
    5.00     3.20     0.30
assign (resid 6 and name hn)
 (resid 99 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 99 and name hg1*)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 99 and name hg2*)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 100 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name hb)
 (resid 100 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name hb)
 (resid 100 and name hb*)
    5.00     3.20     0.30
assign (resid 6 and name hg1*)
 (resid 100 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hg2*)
 (resid 100 and name ha)
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assign (resid 6 and name hn)
(resid 101 and name hn)
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assign (resid 6 and name hb)
 (resid  101 and name hn)
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assign (resid 6 and name hg1*)
 (resid 101 and name hn)
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assign (resid 6 and name hg2*)
 (resid 101 and name hn)
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assign (resid 7 and name hn)
 (resid 8 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name ha)
 (resid 8 and name hn)
    3.00     1.20     0.30
assign (resid 7 and name hb*)
 (resid 8 and name hn)
    5.00     3.20     0.30
assign (resid 7 and name hb1)
 (resid 9 and name hn)
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assign (resid 7 and name hn)
 (resid 11 and name hn)
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assign (resid 7 and name hn)
 (resid 11 and name hg2*)
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assign (resid 7 and name hb2)
 (resid 11 and name hn)
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assign (resid 7 and name hn)
 (resid 12 and name hn)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 12 and name ha)
    3.00     1.20     0.30
assign (resid 7 and name ha)
 (resid 101 and name hn)
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assign (resid 7 and name ha)
 (resid 101 and name hg1*)
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assign (resid 7 and name ha)
 (resid 101 and name hg2*)
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assign (resid 8 and name ha)
 (resid 9 and name hn)
    4.00     2.20     0.30
assign (resid 8 and name hb*)
 (resid 9 and name hn)
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assign (resid 8 and name hb*)
 (resid 9 and name ha)
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assign (resid 8 and name hd1)
 (resid 101 and name hb)
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assign (resid 8 and name hb*)
 (resid 102 and name ha)
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assign (resid 8 and name hd1)
 (resid 102 and name ha)
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assign (resid 8 and name hb*)
 (resid 103 and name ha)
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assign (resid 8 and name hd2)
 (resid 103 and name hb*)
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assign (resid 9 and name hn)
 (resid 10 and name hn)
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assign (resid 9 and name ha)
 (resid 10 and name hn)
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assign (resid 10 and name hn)
 (resid 11 and name hn)
    3.00     1.20     0.30
assign (resid 10 and name ha1)
 (resid 11 and name hn)
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assign (resid 10 and name ha2)
 (resid 11 and name hn)
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assign (resid 11 and name hn)
 (resid 12 and name hn)
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assign (resid 11 and name ha)
 (resid 12 and name hn)
    3.00     1.20     0.30
assign (resid 11 and name hb)
 (resid 12 and name hn)
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assign (resid 11 and name hg2*)
 (resid 12 and name hn)
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assign (resid 11 and name hg2*)
 (resid 13 and name ha)
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assign (resid 12 and name ha)
(resid 13 and name hn)
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assign (resid 12 and name hn)
 (resid 13 and name hn)
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assign (resid 12 and name hg*)
 (resid 13 and name hn)
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assign (resid 13 and name ha)
 (resid 14 and name hn)
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assign (resid 13 and name hb*)
 (resid 14 and name hn)
    4.00     2.20     0.30
assign (resid 13 and name hb*)
 (resid 32 and name hd1*)
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assign (resid 13 and name hd1)
 (resid 32 and name hd1*)
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assign (resid 13 and name hd2)
 (resid 32 and name hd1*)
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assign (resid 13 and name hd*)
 (resid 32 and name hg2*)
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assign (resid 13 and name hg*)
 (resid 32 and name hg2*)
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assign (resid 13 and name hb*)
 (resid 32 and name hg2*)
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assign (resid 13 and name hg1)
 (resid 32 and name hd1*)
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assign (resid 13 and name he)
 (resid 32 and name hg2*)
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assign (resid 13 and name hh1*)
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assign (resid 14 and name hn)
 (resid 15 and name hn)
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assign (resid 14 and name ha)
 (resid 15 and name hn)
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assign (resid 14 and name hb*)
 (resid 15 and name hn)
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assign (resid 15 and name hn)
 (resid 16 and name hn)
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assign (resid 15 and name ha)
 (resid 16 and name hn)
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assign (resid 15 and name hb1)
 (resid 16 and name hn)
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assign (resid 15 and name hb2)
 (resid 16 and name hn)
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assign (resid 15 and name hd1*)
 (resid 16 and name hn)
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assign (resid 15 and name hd2*)
 (resid 26 and name hb*)
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assign (resid 15 and name hd1*)
 (resid 26 and name hb*)
    4.00     2.20     0.30
assign (resid 15 and name hd1*)
 (resid 27 and name ha)
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assign (resid 15 and name hd1*)
 (resid 30 and name hn)
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assign (resid 15 and name hd1*)
 (resid 30 and name hd21)
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assign (resid 15 and name hd1*)
 (resid 30 and name hd22)
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assign (resid 15 and name hd2*)
 (resid 30 and name hd21)
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assign (resid 15 and name hd2*)
 (resid 30 and name hd22)
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assign (resid 15 and name hd2*)
 (resid 30 and name hb1)
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assign (resid 15 and name hd2*)
 (resid 30 and name hb2)
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assign (resid 15 and name hd1*)
 (resid 30 and name hb1)
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assign (resid 15 and name hd1*)
 (resid 30 and name hb2)
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assign (resid 15 and name hd1*)
 (resid 32 and name hd1*)
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assign (resid 15 and name hb2)
 (resid 32 and name hd1*)
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assign (resid 16 and name hn)
 (resid 17 and name hn)
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assign (resid 16 and name ha)
 (resid 17 and name hn)
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assign (resid 16 and name hb*)
 (resid 17 and name hn)
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assign (resid 17 and name hn)
 (resid 18 and name hn)
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assign (resid 17 and name ha)
 (resid 18 and name hn)
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assign (resid 17 and name hg1*)
 (resid 18 and name hn)
    4.00     2.20     0.30
assign (resid 17 and name ha)
   (resid 21 and name hg1*)
     5.00     3.20     0.30
 assign (resid 17 and name hg1*)
  (resid 21 and name hn)
     5.00     3.20     0.30
assign (resid 17 and name hg1*)
  (resid 21 and name hb)
    5.00     3.20     0.30
assign (resid 17 and name hg1*)
 (resid 22 and name hn)
    5.00     3.20     0.30
assign (resid 17 and name hg1*)
 (resid 22 and name ha)
    5.00     3.20     0.30
assign (resid 17 and name hg2*)
 (resid 26 and name hn)
    5.00     3.20     0.30
assign (resid 17 and name hg2*)
(resid 26 and name hb*)
    4.00     2.20     0.30
assign (resid 17 and name hg1*)
  (resid 26 and name hb*)
    4.00     2.20     0.30
assign (resid 17 and name hb)
  (resid 90 and name hb*)
     5.00     3.20     0.30
assign (resid 17 and name hg1*)
  (resid 90 and name hb*)
     5.00     3.20     0.30
assign (resid 18 and name hn)
 (resid 19 and name hn)
    5.00     3.20     0.30
assign (resid 18 and name ha)
 (resid 19 and name hn)
    3.00     1.20     0.30
assign (resid 18 and name hb*)
 (resid 19 and name hn)
    4.00     2.20     0.30
assign (resid 18 and name hb*)
 (resid 19 and name hb1)
    4.00     2.20     0.30
assign (resid 18 and name hb*)
 (resid 21 and name hn)
    5.00     3.20     0.30
assign (resid 18 and name hn)
 (resid 21 and name hb)
    5.00     3.20     0.30
assign (resid 18 and name hn)
 (resid 21 and name hg2*)
    4.00     2.20     0.30
assign (resid 18 and name hb*)
 (resid 21 and name hg2*)
    4.00     2.20     0.30
assign (resid 18 and name hn)
 (resid 26 and name hb*)
    5.00     3.20     0.30
assign (resid 18 and name hn)
 (resid 90 and name hg*)
    6.00     4.20     0.30
assign (resid 19 and name hn)
 (resid 20 and name hn)
    4.00     2.20     0.30
assign (resid 19 and name ha)
 (resid 20 and name hn)
    3.00     1.20     0.30
assign (resid 19 and name hb1)
 (resid 20 and name hn)
    5.00     3.20     0.30
assign (resid 19 and name hb2)
 (resid 20 and name hn)
    4.00     2.20     0.30
assign (resid 19 and name ha)
 (resid 91 and name ha)
    5.00     3.20     0.30
assign (resid 19 and name ha)
 (resid 91 and name hg2*)
    5.00     4.20     0.30
assign (resid 19 and name hb*)
 (resid 91 and name ha)
    5.00     3.20     0.30
assign (resid 19 and name hn)
 (resid 92 and name hg1)
    5.00     3.20     0.30
assign (resid 19 and name hb*)
 (resid 92 and name hd1)
    5.00     3.20     0.30
assign (resid 20 and name hn)
 (resid 21 and name hn)
    3.00     1.20     0.30
assign (resid 20 and name ha1)
(resid 21 and name hn)
    4.00     2.20     0.30
assign (resid 20 and name ha2)
(resid 21 and name hn)
    4.00     2.20     0.30
assign (resid 20 and name hn)
 (resid 89 and name hg2*)
    4.00     2.20     0.30
assign (resid 20 and name ha2)
 (resid 89 and name hg2*)
    4.00     2.20     0.30
assign (resid 20 and name ha1)
 (resid 89 and name hg2*)
    5.00     3.20     0.30
assign (resid 20 and name hn)
 (resid 90 and name hn)
    5.00     3.20     0.30
assign (resid 20 and name hn)
 (resid 90 and name hb*)
    5.00     3.20     0.30
assign (resid 20 and name hn)
 (resid 91 and name ha)
    5.00     3.20     0.30
assign (resid 20 and name hn)
 (resid 91 and name ha)
    5.00     2.20     0.30
assign (resid 20 and name hn)
 (resid 91 and name hg2*)
    6.00     3.20     0.30
assign (resid 21 and name ha)
 (resid 22 and name hn)
    3.00     1.20     0.30
assign (resid 21 and name hb)
 (resid 22 and name hn)
    3.00     1.20     0.30
assign (resid 21 and name hg1*)
 (resid 22 and name hn)
    4.00     2.20     0.30
assign (resid 21 and name hg2*)
 (resid 22 and name hn)
    5.00     3.20     0.30
assign (resid 21 and name ha)
 (resid 25 and name hb1)
    5.00     3.20     0.30
assign (resid 21 and name ha)
 (resid 25 and name hb2)
    5.00     3.20     0.30
assign (resid 21 and name hg1*)
 (resid 25 and name hb1)
    5.00     3.20     0.30
assign (resid 21 and name hg1*)
 (resid 25 and name hb2)
    5.00     3.20     0.30
assign (resid 21 and name hg1*)
 (resid 26 and name hn)
    5.00     3.20     0.30
assign (resid 21 and name hg1*)
 (resid 26 and name ha)
    5.00     3.20     0.30
assign (resid 21 and name hg2*)
 (resid 26 and name ha)
    5.00     3.20     0.30
assign (resid 21 and name hb)
 (resid 26 and name hb*)
    5.00     3.20     0.30
assign (resid 21 and name hg1*)
 (resid 26 and name hb*)
    3.00     1.20     0.30
assign (resid 21 and name hg2*)
 (resid 26 and name hb*)
    5.00     3.20     0.30
assign (resid 21 and name hg1*)
 (resid 26 and name hn)
    4.00     2.20     0.30
assign (resid 21 and name hn)
 (resid 89 and name hg2*)
    5.00     3.20     0.30
assign (resid 21 and name hn)
 (resid 90 and name hn)
    3.00     1.20     0.30
assign (resid 21 and name hn)
 (resid 90 and name hb*)
    5.00     3.20     0.30
assign (resid 21 and name hg1*)
 (resid 90 and name hb*)
    5.00     3.20     0.30
assign (resid 22 and name ha)
 (resid 23 and name hn)
    3.00     1.20     0.30
assign (resid 22 and name hb1)
 (resid 23 and name hn)
    5.00     3.20     0.30
assign (resid 22 and name hb2)
 (resid 23 and name hn)
    4.00     2.20     0.30
assign (resid 22 and name hn)
 (resid 25 and name hn)
    5.00     3.20     0.30
assign (resid 22 and name hn)
 (resid 25 and name hb1)
    4.00     2.20     0.30
assign (resid 22 and name hn)
 (resid 25 and name hg*)
    6.00     4.20     0.30
assign (resid 22 and name hb1)
 (resid 25 and name he2*)
    4.00     2.20     0.30
assign (resid 22 and name hb2)
 (resid 25 and name he2*)
    4.00     2.20     0.30
assign (resid 22 and name hn)
 (resid 26 and name hn)
    4.00     2.20     0.30
assign (resid 22 and name hb2)
 (resid 86 and name ha)
    4.00     2.20     0.30
assign (resid 22 and name hb2)
 (resid 86 and name hb1)
    5.00     3.20     0.30
assign (resid 22 and name hb1)
 (resid 87 and name hn)
    4.00     2.20     0.30
assign (resid 22 and name hb2)
 (resid 87 and name hn)
    5.00     3.20     0.30
assign (resid 22 and name hb1)
 (resid 88 and name hn)
    4.00     2.20     0.30
assign (resid 22 and name hb2)
 (resid 88 and name hn)
    5.00     3.20     0.30
assign (resid 22 and name hn)
 (resid 89 and name hd1*)
    4.00     2.20     0.30
assign (resid 22 and name ha)
 (resid 89 and name ha)
    3.00     1.20     0.30
assign (resid 22 and name ha)
 (resid 89 and name hb)
    5.00     3.20     0.30
assign (resid 22 and name hb1)
 (resid 89 and name hd1*)
    3.00     1.20     0.30
assign (resid 22 and name hb2)
 (resid 89 and name hd1*)
    4.00     2.20     0.30
assign (resid 22 and name ha)
 (resid 89 and name hd1*)
    4.00     2.20     0.30
assign (resid 22 and name ha)
 (resid 89 and name hg2*)
    5.00     3.20     0.30
assign (resid 22 and name ha)
 (resid 90 and name hn)
    3.00     1.20     0.30
assign (resid 22 and name ha)
 (resid 90 and name hb*)
    5.00     3.20     0.30
assign (resid 23 and name hn)
 (resid 24 and name hn)
    3.00     1.20     1.10
assign (resid 23 and name hn)
 (resid 25 and name hn)
    5.00     3.20     0.30
assign (resid 23 and name ha)
 (resid 26 and name hb*)
    4.00     2.20     0.30
assign (resid 23 and name hb1)
 (resid 85 and name hb*)
    5.00     3.20     0.30
assign (resid 23 and name hb2)
 (resid 85 and name hb*)
    4.00     2.20     0.30
assign (resid 23 and name hn)
 (resid 88 and name hn)
    5.00     3.20     0.30
assign (resid 23 and name hn)
 (resid 89 and name ha)
    4.00     2.20     0.30
assign (resid 23 and name hb1)
 (resid 99 and name hg1*)
     4.00     2.20     0.30
assign (resid 23 and name hb2)
 (resid 99 and name hg1*)
     4.00     2.20     0.30
assign (resid 23 and name hb2)
 (resid 99 and name hg2*)
     5.00     3.20     0.30
assign (resid 23 and name hg)
 (resid 99 and name hg2*)
     5.00     3.20     0.30
assign (resid 24 and name hn)
  (resid 25 and name hn)
    3.00     1.20     1.10
assign (resid 24 and name ha)
 (resid 25 and name hn)
    4.00     2.20     0.30
assign (resid 24 and name ha)
 (resid 25 and name hb1)
    5.00     3.20     0.30
assign (resid 24 and name hb1)
 (resid 25 and name hn)
    5.00     3.20     0.30
assign (resid 24 and name hb2)
 (resid 25 and name hn)
    4.00     2.20     0.30
assign (resid 24 and name ha)
(resid 27 and name hb*)
     4.00     2.20     0.30
assign (resid 24 and name he*)
(resid 28 and name hg1*)
    5.00     3.20     0.30
assign (resid 24 and name he*)
(resid 28 and name hg2*)
    3.00     1.20     0.30
assign (resid 24 and name ha)
(resid 33 and name hd*)
    5.00     3.20     0.30
assign (resid 24 and name ha)
(resid 33 and name he*)
    3.00     1.20     0.30
assign (resid 24 and name hg*)
(resid 33 and name he*)
    5.00     3.20     0.30
assign (resid 24 and name he*)
(resid 33 and name hb*)
    4.00     2.20     0.30
assign (resid 24 and name he*)
(resid 39 and name hb*)
    5.00     3.20     0.30
assign (resid 24 and name hn)
  (resid 86 and name ha)
    5.00     3.20     1.10
assign (resid 24 and name hb1)
 (resid 86 and name ha)
    4.00     2.20     0.30
assign (resid 24 and name hb2)
 (resid 86 and name ha)
    4.00     2.20     0.30
assign (resid 24 and name hb2)
 (resid 86 and name hb1)
    5.00     3.20     0.30
assign (resid 24 and name hb1)
 (resid 86 and name hb1)
    5.00     3.20     0.30
assign (resid 24 and name hb1)
 (resid 86 and name hb2)
    5.00     3.20     0.30
assign (resid 24 and name hb2)
 (resid 86 and name hb2)
    5.00     3.20     0.30
assign (resid 24 and name hg*)
 (resid 86 and name hb*)
    5.00     3.20     0.30
assign (resid 24 and name he*)
 (resid 86 and name ha)
    5.00     3.20     0.30
assign (resid 24 and name he*)
 (resid 86 and name hb2)
    5.00     3.20     0.30
assign (resid 25 and name hn)
 (resid 26 and name hn)
    3.00     1.20     1.10
assign (resid 25 and name ha)
 (resid 26 and name hn)
    4.00     2.20     0.30
assign (resid 25 and name hb1)
 (resid 26 and name hn)
        4.00    2.20    0.30
assign (resid 25 and name ha)
 (resid 28 and name hb)
    4.00     2.20     0.30
assign (resid 25 and name ha)
 (resid 28 and name hg1*)
    5.00     3.20     0.30
assign (resid 25 and name ha)
 (resid 28 and name hg2*)
    3.00     1.20     0.30
assign (resid 26 and name hn)
 (resid 27 and name hn)
    3.00     1.20     0.30
assign (resid 26 and name ha)
 (resid 27 and name hn)
    4.00     2.20     0.30
assign (resid 26 and name hb*)
 (resid 27 and name hn)
    4.00     2.20     0.30
assign (resid 26 and name hb*)
 (resid 27 and name ha)
    5.00     3.20     0.30
assign (resid 26 and name ha)
 (resid 28 and name hn)
    5.00     3.20     0.30
assign (resid 26 and name ha)
 (resid 29 and name hn)
    4.00     2.20     0.30
assign (resid 26 and name ha)
 (resid 29 and name hb*)
    4.00     2.00     0.30
assign (resid 26 and name ha)
 (resid 30 and name hn)
    4.00     2.20     0.30
assign (resid 26 and name ha)
 (resid 30 and name hd2*)
    4.00     2.20     0.30
assign (resid 26 and name hb*)
 (resid 30 and name hd2*)
    6.00     4.20     0.30
assign (resid 27 and name hn)
 (resid 28 and name hn)
     3.00     1.20     0.30
assign (resid 27 and name ha)
(resid 28 and name hn)
    4.00     2.20     0.30
assign (resid 27 and name hb*)
 (resid 28 and name hn)
    4.00     2.20     0.30
assign (resid 27 and name ha)
 (resid 29 and name hn)
    5.00     3.20     0.30
assign (resid 27 and name ha)
 (resid 30 and name hn)
    4.00     2.20     0.30
assign (resid 27 and name ha)
 (resid 30 and name hb1)
    5.00     3.20     0.30
assign (resid 27 and name ha)
 (resid 30 and name hb2)
    5.00     3.20     0.30
assign (resid 27 and name ha)
(resid 31 and name hn)
    5.00     3.20     0.30
assign (resid 27 and name ha)
 (resid 32 and name hn)
    4.00     2.20     0.30   
assign (resid 27 and name ha)
 (resid 32 and name hb)
    3.00     1.20     0.30
assign (resid 27 and name ha)
 (resid 32 and name hg1*)
    3.00     1.20     0.30
assign (resid 27 and name ha)
 (resid 32 and name hg2*)
    5.00     3.20     0.30   
assign (resid 27 and name ha)
 (resid 32 and name hd1*)
    4.00     2.20     0.30
assign (resid 27 and name hb*)
 (resid 32 and name hn)
    6.00     4.20     0.30
assign (resid 27 and name hb*)
 (resid 32 and name ha)
    6.00     4.20     0.30
assign (resid 27 and name hb*)
 (resid 32 and name hg2*)
    6.00     4.20     0.30
assign (resid 27 and name hb*)
 (resid 32 and name hd1*)
    6.00     4.20     0.30
assign (resid 27 and name hb*)
 (resid 33 and name hd*)
    5.00     3.20     0.30
assign (resid 27 and name hb*)
 
  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    SER   1          3HT       SER   1   3.394 -11.418 -11.418
    2   2H    SER   1          2HT       SER   1   1.765 -10.955 -10.955
    3   3H    SER   1          1HT       SER   1   2.302 -11.832 -11.832
    4    HA   SER   1           HA       SER   1   3.023 -10.010 -10.010
    5   1HB   SER   1          2HB       SER   1   1.752  -8.370  -8.370
    6   2HB   SER   1          1HB       SER   1   1.537  -8.258  -8.258
    7    HG   SER   1           HG       SER   1   0.399 -10.252 -10.252
    8    H    LYS   2           H        LYS   2   4.338  -7.992  -7.992
    9    HA   LYS   2           HA       LYS   2   6.472  -8.216  -8.216
   10   1HB   LYS   2          2HB       LYS   2   6.520  -7.835  -7.835
   11   2HB   LYS   2          1HB       LYS   2   6.398  -6.144  -6.144
   12   1HG   LYS   2          2HG       LYS   2   8.313  -6.982  -6.982
   13   2HG   LYS   2          1HG       LYS   2   8.634  -8.064  -8.064
   14   1HD   LYS   2          2HD       LYS   2   8.202  -5.569  -5.569
   15   2HD   LYS   2          1HD       LYS   2   9.171  -5.214  -5.214
   16   1HE   LYS   2          2HE       LYS   2   9.845  -7.114  -7.114
   17   2HE   LYS   2          1HE       LYS   2  10.770  -5.705  -5.705
   18   1HZ   LYS   2          1HZ       LYS   2  10.606  -6.998  -6.998
   19   2HZ   LYS   2          3HZ       LYS   2  10.478  -8.342  -8.342
   20   3HZ   LYS   2          2HZ       LYS   2  11.843  -7.335  -7.335
   21    H    VAL   3           H        VAL   3   6.204  -7.026  -7.026
   22    HA   VAL   3           HA       VAL   3   4.804  -4.387  -4.387
   23    HB   VAL   3           HB       VAL   3   4.705  -6.625  -6.625
   24   1HG1  VAL   3          1HG1      VAL   3   4.004  -3.726  -3.726
   25   2HG1  VAL   3          3HG1      VAL   3   3.647  -5.095  -5.095
   26   3HG1  VAL   3          2HG1      VAL   3   5.322  -4.636  -4.636
   27   1HG2  VAL   3          3HG2      VAL   3   3.032  -5.984  -5.984
   28   2HG2  VAL   3          2HG2      VAL   3   2.418  -6.528  -6.528
   29   3HG2  VAL   3          1HG2      VAL   3   2.460  -4.807  -4.807
   30    H    VAL   4           H        VAL   4   5.793  -2.645  -2.645
   31    HA   VAL   4           HA       VAL   4   8.404  -3.202  -3.202
   32    HB   VAL   4           HB       VAL   4   7.663  -1.310  -1.310
   33   1HG1  VAL   4          1HG1      VAL   4   9.419  -0.749  -0.749
   34   2HG1  VAL   4          3HG1      VAL   4  10.264  -0.645  -0.645
   35   3HG1  VAL   4          2HG1      VAL   4   8.831   0.342   0.342
   36   1HG2  VAL   4          3HG2      VAL   4   9.362  -3.641  -3.641
   37   2HG2  VAL   4          2HG2      VAL   4   8.822  -2.891  -2.891
   38   3HG2  VAL   4          1HG2      VAL   4  10.263  -2.287  -2.287
   39    H    TYR   5           H        TYR   5   8.566  -2.271  -2.271
   40    HA   TYR   5           HA       TYR   5   6.435  -0.374  -0.374
   41   1HB   TYR   5          2HB       TYR   5   8.424  -2.040  -2.040
   42   2HB   TYR   5          1HB       TYR   5   6.996  -1.231  -1.231
   43    HD1  TYR   5          2HD       TYR   5   4.791  -1.753  -1.753
   44    HD2  TYR   5          1HD       TYR   5   8.206  -4.338  -4.338
   45    HE1  TYR   5          2HE       TYR   5   3.368  -3.731  -3.731
   46    HE2  TYR   5          1HE       TYR   5   6.787  -6.271  -6.271
   47    HH   TYR   5           HH       TYR   5   4.771  -6.949  -6.949
   48    H    VAL   6           H        VAL   6   6.931   1.641   1.641
   49    HA   VAL   6           HA       VAL   6   9.864   2.278   2.278
   50    HB   VAL   6           HB       VAL   6   7.772   4.315   4.315
   51   1HG1  VAL   6          1HG1      VAL   6  10.071   4.950   4.950
   52   2HG1  VAL   6          3HG1      VAL   6  10.744   4.236   4.236
   53   3HG1  VAL   6          2HG1      VAL   6   9.663   5.625   5.625
   54   1HG2  VAL   6          2HG2      VAL   6   8.094   2.251   2.251
   55   2HG2  VAL   6          1HG2      VAL   6   7.982   3.894   3.894
   56   3HG2  VAL   6          3HG2      VAL   6   9.558   3.126   3.126
   57    H    SER   7           H        SER   7  10.340   2.955   2.955
   58    HA   SER   7           HA       SER   7   8.162   3.308   3.308
   59   1HB   SER   7          2HB       SER   7  10.002   3.474   3.474
   60   2HB   SER   7          1HB       SER   7  10.368   2.174   2.174
   61    HG   SER   7           HG       SER   7  12.119   3.661   3.661
   62    H    HIS   8           H        HIS   8   7.834   5.247   5.247
   63    HA   HIS   8           HA       HIS   8   7.850   7.610   7.610
   64   1HB   HIS   8          2HB       HIS   8   6.119   7.774   7.774
   65   2HB   HIS   8          1HB       HIS   8   6.835   6.596   6.596
   66    HD1  HIS   8          1HD       HIS   8   5.462   9.595   9.595
   67    HD2  HIS   8          2HD       HIS   8   9.366   8.386   8.386
   68    HE1  HIS   8          1HE       HIS   8   6.377  11.219  11.219
   69    H    ASP   9           H        ASP   9  10.340   6.166   6.166
   70    HA   ASP   9           HA       ASP   9  11.686   8.706   8.706
   71   1HB   ASP   9          2HB       ASP   9  13.176   7.301   7.301
   72   2HB   ASP   9          1HB       ASP   9  11.600   6.537   6.537
   73    H    GLY  10           H        GLY  10  11.425   6.517   6.517
   74   1HA   GLY  10          2HA       GLY  10  12.394   7.200   7.200
   75   2HA   GLY  10          1HA       GLY  10  13.822   7.733   7.733
   76    H    THR  11           H        THR  11  12.284   4.654   4.654
   77    HA   THR  11           HA       THR  11  14.673   3.296   3.296
   78    HB   THR  11           HB       THR  11  13.829   3.308   3.308
   79    HG1  THR  11          1HG       THR  11  15.592   2.121   2.121
   80   1HG2  THR  11          1HG2      THR  11  11.703   2.049   2.049
   81   2HG2  THR  11          3HG2      THR  11  12.760   0.651   0.651
   82   3HG2  THR  11          2HG2      THR  11  12.338   1.641   1.641
   83    H    ARG  12           H        ARG  12  14.268   1.553   1.553
   84    HA   ARG  12           HA       ARG  12  11.396   1.168   1.168
   85   1HB   ARG  12          2HB       ARG  12  13.668   2.130   2.130
   86   2HB   ARG  12          1HB       ARG  12  13.176   0.596   0.596
   87   1HG   ARG  12          2HG       ARG  12  10.747   1.736   1.736
   88   2HG   ARG  12          1HG       ARG  12  11.726   3.186   3.186
   89   1HD   ARG  12          2HD       ARG  12  11.610   0.802   0.802
   90   2HD   ARG  12          1HD       ARG  12  10.944   2.419   2.419
   91    HE   ARG  12           HE       ARG  12  13.808   2.336   2.336
   92   1HH1  ARG  12          1HH1      ARG  12  11.524   3.802   3.802
   93   2HH1  ARG  12          2HH1      ARG  12  12.481   3.863   3.863
   94   1HH2  ARG  12          1HH2      ARG  12  14.991   1.830   1.830
   95   2HH2  ARG  12          2HH2      ARG  12  14.444   2.748   2.748
   96    H    ARG  13           H        ARG  13  10.733  -0.929  -0.929
   97    HA   ARG  13           HA       ARG  13  12.722  -3.150  -3.150
   98   1HB   ARG  13          2HB       ARG  13  11.348  -2.535  -2.535
   99   2HB   ARG  13          1HB       ARG  13  10.018  -3.334  -3.334
  100   1HG   ARG  13          2HG       ARG  13  11.009  -5.405  -5.405
  101   2HG   ARG  13          1HG       ARG  13  12.644  -4.743  -4.743
  102   1HD   ARG  13          2HD       ARG  13  10.960  -4.148  -4.148
  103   2HD   ARG  13          1HD       ARG  13  11.682  -5.764  -5.764
  104    HE   ARG  13           HE       ARG  13  13.246  -3.213  -3.213
  105   1HH1  ARG  13          1HH2      ARG  13  15.396  -4.284  -4.284
  106   2HH1  ARG  13          2HH2      ARG  13  15.933  -5.525  -5.525
  107   1HH2  ARG  13          1HH1      ARG  13  12.870  -5.825  -5.825
  108   2HH2  ARG  13          2HH1      ARG  13  14.502  -6.399  -6.399
  109    H    GLU  14           H        GLU  14  12.105  -4.966  -4.966
  110    HA   GLU  14           HA       GLU  14   9.540  -4.585  -4.585
  111   1HB   GLU  14          2HB       GLU  14  12.142  -5.590  -5.590
  112   2HB   GLU  14          1HB       GLU  14  10.702  -5.046  -5.046
  113   1HG   GLU  14          2HG       GLU  14  12.039  -3.149  -3.149
  114   2HG   GLU  14          1HG       GLU  14  11.139  -2.799  -2.799
  115    H    LEU  15           H        LEU  15   8.276  -6.318  -6.318
  116    HA   LEU  15           HA       LEU  15   9.507  -8.976  -8.976
  117   1HB   LEU  15          2HB       LEU  15   7.193  -7.376  -7.376
  118   2HB   LEU  15          1HB       LEU  15   7.059  -9.136  -9.136
  119    HG   LEU  15           HG       LEU  15   9.559  -8.814  -8.814
  120   1HD1  LEU  15          1HD1      LEU  15   8.761  -6.258  -6.258
  121   2HD1  LEU  15          3HD1      LEU  15   8.175  -6.755  -6.755
  122   3HD1  LEU  15          2HD1      LEU  15   9.891  -6.909  -6.909
  123   1HD2  LEU  15          3HD2      LEU  15   6.899  -8.887  -8.887
  124   2HD2  LEU  15          2HD2      LEU  15   8.098 -10.168 -10.168
  125   3HD2  LEU  15          1HD2      LEU  15   8.356  -8.781  -8.781
  126    H    ASP  16           H        ASP  16   7.532 -10.624 -10.624
  127    HA   ASP  16           HA       ASP  16   6.490 -10.275 -10.275
  128   1HB   ASP  16          2HB       ASP  16   8.268 -12.045 -12.045
  129   2HB   ASP  16          1HB       ASP  16   7.071 -12.843 -12.843
  130    H    VAL  17           H        VAL  17   4.434  -9.447  -9.447
  131    HA   VAL  17           HA       VAL  17   2.870 -10.872 -10.872
  132    HB   VAL  17           HB       VAL  17   2.308  -8.362  -8.362
  133   1HG1  VAL  17          3HG1      VAL  17   0.460  -9.760  -9.760
  134   2HG1  VAL  17          2HG1      VAL  17   1.159  -8.971  -8.971
  135   3HG1  VAL  17          1HG1      VAL  17   0.484  -8.000  -8.000
  136   1HG2  VAL  17          3HG2      VAL  17   4.392  -8.305  -8.305
  137   2HG2  VAL  17          2HG2      VAL  17   3.163  -7.127  -7.127
  138   3HG2  VAL  17          1HG2      VAL  17   3.361  -8.608  -8.608
  139    H    ALA  18           H        ALA  18   2.142 -12.734 -12.734
  140    HA   ALA  18           HA       ALA  18   1.112 -12.736 -12.736
  141   1HB   ALA  18          1HB       ALA  18   1.306 -14.715 -14.715
  142   2HB   ALA  18          3HB       ALA  18   0.474 -15.121 -15.121
  143   3HB   ALA  18          2HB       ALA  18   2.189 -14.708 -14.708
  144    H    ASP  19           H        ASP  19  -1.093 -14.334 -14.334
  145    HA   ASP  19           HA       ASP  19  -3.208 -12.490 -12.490
  146   1HB   ASP  19          2HB       ASP  19  -4.452 -14.020 -14.020
  147   2HB   ASP  19          1HB       ASP  19  -2.828 -14.462 -14.462
  148    H    GLY  20           H        GLY  20  -4.063 -12.200 -12.200
  149   1HA   GLY  20          2HA       GLY  20  -5.322 -13.208 -13.208
  150   2HA   GLY  20          1HA       GLY  20  -4.140 -14.514 -14.514
  151    H    VAL  21           H        VAL  21  -2.204 -11.957 -11.957
  152    HA   VAL  21           HA       VAL  21  -1.760 -11.615 -11.615
  153    HB   VAL  21           HB       VAL  21   0.021 -11.021 -11.021
  154   1HG1  VAL  21          3HG1      VAL  21   0.531 -11.000 -11.000
  155   2HG1  VAL  21          2HG1      VAL  21   1.801 -10.901 -10.901
  156   3HG1  VAL  21          1HG1      VAL  21   0.597  -9.618  -9.618
  157   1HG2  VAL  21          2HG2      VAL  21  -0.393 -13.430 -13.430
  158   2HG2  VAL  21          1HG2      VAL  21   0.103 -13.326 -13.326
  159   3HG2  VAL  21          3HG2      VAL  21   1.275 -13.011 -13.011
  160    H    SER  22           H        SER  22  -0.963  -9.480  -9.480
  161    HA   SER  22           HA       SER  22  -2.270  -7.230  -7.230
  162   1HB   SER  22          2HB       SER  22  -1.970  -6.580  -6.580
  163   2HB   SER  22          1HB       SER  22  -3.468  -7.011  -7.011
  164    HG   SER  22           HG       SER  22  -3.321  -9.001  -9.001
  165    H    LEU  23           H        LEU  23  -1.008  -5.197  -5.197
  166    HA   LEU  23           HA       LEU  23   1.751  -5.367  -5.367
  167   1HB   LEU  23          2HB       LEU  23   0.223  -3.103  -3.103
  168   2HB   LEU  23          1HB       LEU  23   1.766  -2.954  -2.954
  169    HG   LEU  23           HG       LEU  23  -0.952  -3.411  -3.411
  170   1HD1  LEU  23          3HD1      LEU  23   0.309  -1.169  -1.169
  171   2HD1  LEU  23          2HD1      LEU  23   1.390  -1.830  -1.830
  172   3HD1  LEU  23          1HD1      LEU  23  -0.325  -1.613  -1.613
  173   1HD2  LEU  23          3HD2      LEU  23   1.695  -4.257  -4.257
  174   2HD2  LEU  23          2HD2      LEU  23   0.297  -5.285  -5.285
  175   3HD2  LEU  23          1HD2      LEU  23   0.213  -4.043  -4.043
  176    H    MET  24           H        MET  24  -0.019  -5.215  -5.215
  177    HA   MET  24           HA       MET  24   2.373  -4.792  -4.792
  178   1HB   MET  24          2HB       MET  24   0.351  -4.012  -4.012
  179   2HB   MET  24          1HB       MET  24  -0.482  -5.528  -5.528
  180   1HG   MET  24          2HG       MET  24   0.941  -6.681  -6.681
  181   2HG   MET  24          1HG       MET  24   1.792  -5.173  -5.173
  182   1HE   MET  24          1HE       MET  24   0.912  -6.528  -6.528
  183   2HE   MET  24          3HE       MET  24  -0.756  -6.404  -6.404
  184   3HE   MET  24          2HE       MET  24  -0.368  -7.456  -7.456
  185    H    GLN  25           H        GLN  25   0.173  -7.558  -7.558
  186    HA   GLN  25           HA       GLN  25   1.358  -9.481  -9.481
  187   1HB   GLN  25          2HB       GLN  25  -0.594  -9.718  -9.718
  188   2HB   GLN  25          1HB       GLN  25   0.425  -9.608  -9.608
  189   1HG   GLN  25          2HG       GLN  25   1.303 -11.748 -11.748
  190   2HG   GLN  25          1HG       GLN  25   0.968 -11.748 -11.748
  191   1HE2  GLN  25          2HE2      GLN  25  -2.622 -11.934 -11.934
  192   2HE2  GLN  25          1HE2      GLN  25  -1.680 -10.522 -10.522
  193    H    ALA  26           H        ALA  26   2.334  -9.327  -9.327
  194    HA   ALA  26           HA       ALA  26   4.677 -10.868 -10.868
  195   1HB   ALA  26          1HB       ALA  26   3.577  -8.632  -8.632
  196   2HB   ALA  26          3HB       ALA  26   5.344  -8.735  -8.735
  197   3HB   ALA  26          2HB       ALA  26   4.344 -10.126 -10.126
  198    H    ALA  27           H        ALA  27   4.781  -7.318  -7.318
  199    HA   ALA  27           HA       ALA  27   7.343  -6.926  -6.926
  200   1HB   ALA  27          1HB       ALA  27   4.745  -5.580  -5.580
  201   2HB   ALA  27          3HB       ALA  27   5.709  -5.008  -5.008
  202   3HB   ALA  27          2HB       ALA  27   6.346  -4.915  -4.915
  203    H    VAL  28           H        VAL  28   4.341  -7.397  -7.397
  204    HA   VAL  28           HA       VAL  28   5.149  -7.177  -7.177
  205    HB   VAL  28           HB       VAL  28   3.086  -8.391  -8.391
  206   1HG1  VAL  28          3HG1      VAL  28   4.078 -10.010 -10.010
  207   2HG1  VAL  28          2HG1      VAL  28   2.348  -9.941  -9.941
  208   3HG1  VAL  28          1HG1      VAL  28   3.447 -10.562 -10.562
  209   1HG2  VAL  28          1HG2      VAL  28   2.886  -6.441  -6.441
  210   2HG2  VAL  28          3HG2      VAL  28   1.646  -7.677  -7.677
  211   3HG2  VAL  28          2HG2      VAL  28   3.000  -7.570  -7.570
  212    H    SER  29           H        SER  29   5.021 -10.279 -10.279
  213    HA   SER  29           HA       SER  29   6.458 -11.925 -11.925
  214   1HB   SER  29          2HB       SER  29   7.313 -12.351 -12.351
  215   2HB   SER  29          1HB       SER  29   6.101 -13.261 -13.261
  216    HG   SER  29           HG       SER  29   5.794 -11.445 -11.445
  217    H    ASN  30           H        ASN  30   7.667  -9.842  -9.842
  218    HA   ASN  30           HA       ASN  30  10.465 -10.306 -10.306
  219   1HB   ASN  30          2HB       ASN  30   8.594  -8.601  -8.601
  220   2HB   ASN  30          1HB       ASN  30  10.104  -7.783  -7.783
  221   1HD2  ASN  30          2HD2      ASN  30  10.070 -10.934 -10.934
  222   2HD2  ASN  30          1HD2      ASN  30   8.722 -10.649 -10.649
  223    H    GLY  31           H        GLY  31   8.233  -8.854  -8.854
  224   1HA   GLY  31          2HA       GLY  31   8.663  -7.733  -7.733
  225   2HA   GLY  31          1HA       GLY  31  10.362  -7.597  -7.597
  226    H    ILE  32           H        ILE  32   8.949  -6.577  -6.577
  227    HA   ILE  32           HA       ILE  32   9.593  -3.898  -3.898
  228    HB   ILE  32           HB       ILE  32   7.131  -5.219  -5.219
  229   1HG1  ILE  32          2HG1      ILE  32  10.021  -5.426  -5.426
  230   2HG1  ILE  32          1HG1      ILE  32   8.728  -6.585  -6.585
  231   1HG2  ILE  32          3HG2      ILE  32   8.691  -2.791  -2.791
  232   2HG2  ILE  32          2HG2      ILE  32   7.382  -3.560  -3.560
  233   3HG2  ILE  32          1HG2      ILE  32   7.047  -2.791  -2.791
  234   1HD1  ILE  32          3HD1      ILE  32   9.211  -4.098  -4.098
  235   2HD1  ILE  32          2HD1      ILE  32   9.704  -5.725  -5.725
  236   3HD1  ILE  32          1HD1      ILE  32   7.997  -5.335  -5.335
  237    H    TYR  33           H        TYR  33   6.718  -5.438  -5.438
  238    HA   TYR  33           HA       TYR  33   5.849  -2.751  -2.751
  239   1HB   TYR  33          2HB       TYR  33   4.417  -5.327  -5.327
  240   2HB   TYR  33          1HB       TYR  33   3.661  -4.041  -4.041
  241    HD1  TYR  33          1HD       TYR  33   3.523  -1.704  -1.704
  242    HD2  TYR  33          2HD       TYR  33   4.633  -5.168  -5.168
  243    HE1  TYR  33          1HE       TYR  33   3.047  -0.467  -0.467
  244    HE2  TYR  33          2HE       TYR  33   4.164  -3.972  -3.972
  245    HH   TYR  33           HH       TYR  33   2.495  -1.785  -1.785
  246    H    ASP  34           H        ASP  34   7.782  -3.496  -3.496
  247    HA   ASP  34           HA       ASP  34   6.863  -5.252  -5.252
  248   1HB   ASP  34          2HB       ASP  34   8.977  -4.491  -4.491
  249   2HB   ASP  34          1HB       ASP  34   9.255  -4.937  -4.937
  250    H    ILE  35           H        ILE  35   4.893  -3.365  -3.365
  251    HA   ILE  35           HA       ILE  35   5.180  -1.007  -1.007
  252    HB   ILE  35           HB       ILE  35   2.965  -0.524  -0.524
  253   1HG1  ILE  35          2HG1      ILE  35   2.493  -2.917  -2.917
  254   2HG1  ILE  35          1HG1      ILE  35   2.667  -3.334  -3.334
  255   1HG2  ILE  35          1HG2      ILE  35   4.833  -1.862  -1.862
  256   2HG2  ILE  35          3HG2      ILE  35   3.344  -1.080  -1.080
  257   3HG2  ILE  35          2HG2      ILE  35   4.595  -0.138  -0.138
  258   1HD1  ILE  35          3HD1      ILE  35   1.002  -0.949  -0.949
  259   2HD1  ILE  35          2HD1      ILE  35   0.324  -2.528  -2.528
  260   3HD1  ILE  35          1HD1      ILE  35   0.790  -2.160  -2.160
  261    H    VAL  36           H        VAL  36   2.245  -1.348  -1.348
  262    HA   VAL  36           HA       VAL  36   2.751  -2.752  -2.752
  263    HB   VAL  36           HB       VAL  36   0.722  -1.583  -1.583
  264   1HG1  VAL  36          1HG1      VAL  36   2.567   0.081   0.081
  265   2HG1  VAL  36          3HG1      VAL  36   1.385   0.770   0.770
  266   3HG1  VAL  36          2HG1      VAL  36   2.713  -0.210  -0.210
  267   1HG2  VAL  36          1HG2      VAL  36  -0.515  -1.991  -1.991
  268   2HG2  VAL  36          3HG2      VAL  36  -0.621  -0.315  -0.315
  269   3HG2  VAL  36          2HG2      VAL  36   0.474  -0.751  -0.751
  270    H    GLY  37           H        GLY  37   0.031  -3.452  -3.452
  271   1HA   GLY  37          2HA       GLY  37  -0.377  -5.675  -5.675
  272   2HA   GLY  37          1HA       GLY  37  -0.623  -5.877  -5.877
  273    H    ASP  38           H        ASP  38  -1.856  -4.150  -4.150
  274    HA   ASP  38           HA       ASP  38  -4.495  -3.900  -3.900
  275   1HB   ASP  38          2HB       ASP  38  -3.357  -2.179  -2.179
  276   2HB   ASP  38          1HB       ASP  38  -4.789  -1.847  -1.847
  277    H    CYS  39           H        CYS  39  -3.358  -3.646  -3.646
  278    HA   CYS  39           HA       CYS  39  -5.637  -4.922  -4.922
  279   1HB   CYS  39          2HB       CYS  39  -4.149  -4.678  -4.678
  280   2HB   CYS  39          1HB       CYS  39  -4.247  -3.240  -3.240
  281    H    GLY  40           H        GLY  40  -2.430  -6.076  -6.076
  282   1HA   GLY  40          2HA       GLY  40  -1.472  -8.229  -8.229
  283   2HA   GLY  40          1HA       GLY  40  -3.067  -8.743  -8.743
  284    H    GLY  41           H        GLY  41  -2.480  -7.122  -7.122
  285   1HA   GLY  41          2HA       GLY  41  -2.519  -7.981  -7.981
  286   2HA   GLY  41          1HA       GLY  41  -2.545  -9.612  -9.612
  287    H    SER  42           H        SER  42  -4.823  -7.064  -7.064
  288    HA   SER  42           HA       SER  42  -6.954  -8.438  -8.438
  289   1HB   SER  42          2HB       SER  42  -6.911  -9.401  -9.401
  290   2HB   SER  42          1HB       SER  42  -6.972  -7.788  -7.788
  291    HG   SER  42           HG       SER  42  -8.957  -9.291  -9.291
  292    H    ALA  43           H        ALA  43  -5.408  -5.644  -5.644
  293    HA   ALA  43           HA       ALA  43  -5.964  -3.408  -3.408
  294   1HB   ALA  43          2HB       ALA  43  -7.563  -5.025  -5.025
  295   2HB   ALA  43          1HB       ALA  43  -8.750  -4.045  -4.045
  296   3HB   ALA  43          3HB       ALA  43  -7.515  -3.267  -3.267
  297    H    SER  44           H        SER  44  -6.001  -3.876  -3.876
  298    HA   SER  44           HA       SER  44  -8.346  -2.441  -2.441
  299   1HB   SER  44          2HB       SER  44  -7.552  -5.118  -5.118
  300   2HB   SER  44          1HB       SER  44  -7.026  -4.223  -4.223
  301    HG   SER  44           HG       SER  44  -9.187  -4.951  -4.951
  302    H    CYS  45           H        CYS  45  -5.663  -1.579  -1.579
  303    HA   CYS  45           HA       CYS  45  -4.320  -0.924  -0.924
  304   1HB   CYS  45          2HB       CYS  45  -2.357  -0.445  -0.445
  305   2HB   CYS  45          1HB       CYS  45  -2.839  -2.104  -2.104
  306    H    ALA  46           H        ALA  46  -3.405   1.085   1.085
  307    HA   ALA  46           HA       ALA  46  -4.639   3.363   3.363
  308   1HB   ALA  46          1HB       ALA  46  -3.697   2.991   2.991
  309   2HB   ALA  46          3HB       ALA  46  -4.209   4.547   4.547
  310   3HB   ALA  46          2HB       ALA  46  -5.359   3.213   3.213
  311    H    THR  47           H        THR  47  -1.765   1.666   1.666
  312    HA   THR  47           HA       THR  47  -0.058   4.096   4.096
  313    HB   THR  47           HB       THR  47   1.729   2.389   2.389
  314    HG1  THR  47          1HG       THR  47  -0.051   0.699   0.699
  315   1HG2  THR  47          2HG2      THR  47  -0.573   3.025   3.025
  316   2HG2  THR  47          1HG2      THR  47   1.041   2.528   2.528
  317   3HG2  THR  47          3HG2      THR  47   0.816   4.063   4.063
  318    H    CYS  48           H        CYS  48  -1.029   1.110   1.110
  319    HA   CYS  48           HA       CYS  48   1.250   1.094   1.094
  320   1HB   CYS  48          2HB       CYS  48  -1.484  -0.153  -0.153
  321   2HB   CYS  48          1HB       CYS  48  -0.026  -0.547  -0.547
  322    H    HIS  49           H        HIS  49  -0.997   3.448   3.448
  323    HA   HIS  49           HA       HIS  49  -2.237   3.947   3.947
  324   1HB   HIS  49          2HB       HIS  49  -2.236   5.423   5.423
  325   2HB   HIS  49          1HB       HIS  49  -0.549   5.832   5.832
  326    HD1  HIS  49          1HD       HIS  49  -3.041   7.859   7.859
  327    HD2  HIS  49          2HD       HIS  49  -1.123   6.228   6.228
  328    HE1  HIS  49          1HE       HIS  49  -3.464   9.446   9.446
  329    H    VAL  50           H        VAL  50  -1.396   3.813   3.813
  330    HA   VAL  50           HA       VAL  50   1.370   4.819   4.819
  331    HB   VAL  50           HB       VAL  50   1.717   2.733   2.733
  332   1HG1  VAL  50          3HG1      VAL  50   1.531   2.858   2.858
  333   2HG1  VAL  50          2HG1      VAL  50   1.729   1.257   1.257
  334   3HG1  VAL  50          1HG1      VAL  50   2.919   2.518   2.518
  335   1HG2  VAL  50          3HG2      VAL  50  -0.814   2.292   2.292
  336   2HG2  VAL  50          2HG2      VAL  50   0.233   0.895   0.895
  337   3HG2  VAL  50          1HG2      VAL  50  -0.601   1.638   1.638
  338    H    TYR  51           H        TYR  51   1.783   5.084   5.084
  339    HA   TYR  51           HA       TYR  51  -0.718   5.755   5.755
  340   1HB   TYR  51          2HB       TYR  51   2.039   6.951   6.951
  341   2HB   TYR  51          1HB       TYR  51   0.965   7.398   7.398
  342    HD1  TYR  51          1HD       TYR  51  -1.288   6.653   6.653
  343    HD2  TYR  51          2HD       TYR  51   1.721   9.615   9.615
  344    HE1  TYR  51          1HE       TYR  51  -2.494   8.287   8.287
  345    HE2  TYR  51          2HE       TYR  51   0.482  11.254  11.254
  346    HH   TYR  51           HH       TYR  51  -1.334  11.636  11.636
  347    H    VAL  52           H        VAL  52  -1.062   4.400   4.400
  348    HA   VAL  52           HA       VAL  52   1.105   2.715   2.715
  349    HB   VAL  52           HB       VAL  52  -1.806   3.002   3.002
  350   1HG1  VAL  52          2HG1      VAL  52   0.358   1.488   1.488
  351   2HG1  VAL  52          1HG1      VAL  52  -0.714   0.355   0.355
  352   3HG1  VAL  52          3HG1      VAL  52  -1.345   1.404   1.404
  353   1HG2  VAL  52          3HG2      VAL  52  -0.620   1.992   1.992
  354   2HG2  VAL  52          2HG2      VAL  52  -2.324   2.020   2.020
  355   3HG2  VAL  52          1HG2      VAL  52  -1.314   0.644   0.644
  356    H    ASN  53           H        ASN  53   2.055   3.115   3.115
  357    HA   ASN  53           HA       ASN  53   1.870   5.781   5.781
  358   1HB   ASN  53          2HB       ASN  53   2.863   4.761   4.761
  359   2HB   ASN  53          1HB       ASN  53   3.759   4.444   4.444
  360   1HD2  ASN  53          2HD2      ASN  53   1.750   1.063   1.063
  361   2HD2  ASN  53          1HD2      ASN  53   1.074   2.433   2.433
  362    H    GLU  54           H        GLU  54   0.400   6.760   6.760
  363    HA   GLU  54           HA       GLU  54  -2.200   6.131   6.131
  364   1HB   GLU  54          2HB       GLU  54  -2.135   7.654   7.654
  365   2HB   GLU  54          1HB       GLU  54  -1.027   8.211   8.211
  366   1HG   GLU  54          2HG       GLU  54   0.877   7.485   7.485
  367   2HG   GLU  54          1HG       GLU  54  -0.069   6.415   6.415
  368    H    ALA  55           H        ALA  55   0.389   4.571   4.571
  369    HA   ALA  55           HA       ALA  55  -1.291   3.624   3.624
  370   1HB   ALA  55          2HB       ALA  55   1.445   3.266   3.266
  371   2HB   ALA  55          1HB       ALA  55   0.823   1.886   1.886
  372   3HB   ALA  55          3HB       ALA  55   0.901   3.478   3.478
  373    H    PHE  56           H        PHE  56  -0.232   2.061   2.061
  374    HA   PHE  56           HA       PHE  56  -1.882  -0.310  -0.310
  375   1HB   PHE  56          2HB       PHE  56   0.037   0.376   0.376
  376   2HB   PHE  56          1HB       PHE  56  -0.731  -1.208  -1.208
  377    HD1  PHE  56          1HD       PHE  56   1.403   1.297   1.297
  378    HD2  PHE  56          2HD       PHE  56   0.211  -2.852  -2.852
  379    HE1  PHE  56          1HE       PHE  56   3.059   0.744   0.744
  380    HE2  PHE  56          2HE       PHE  56   1.853  -3.352  -3.352
  381    HZ   PHE  56           HZ       PHE  56   3.288  -1.582  -1.582
  382    H    THR  57           H        THR  57  -2.353   2.660   2.660
  383    HA   THR  57           HA       THR  57  -4.128   1.792   1.792
  384    HB   THR  57           HB       THR  57  -4.303   4.106   4.106
  385    HG1  THR  57          1HG       THR  57  -5.050   4.940   4.940
  386   1HG2  THR  57          1HG2      THR  57  -1.757   3.063   3.063
  387   2HG2  THR  57          3HG2      THR  57  -1.827   4.718   4.718
  388   3HG2  THR  57          2HG2      THR  57  -2.113   4.383   4.383
  389    H    ASP  58           H        ASP  58  -4.390   2.596   2.596
  390    HA   ASP  58           HA       ASP  58  -7.326   2.965   2.965
  391   1HB   ASP  58          2HB       ASP  58  -6.380   2.601   2.601
  392   2HB   ASP  58          1HB       ASP  58  -6.915   4.090   4.090
  393    H    LYS  59           H        LYS  59  -5.016   0.448   0.448
  394    HA   LYS  59           HA       LYS  59  -7.005  -1.313  -1.313
  395   1HB   LYS  59          2HB       LYS  59  -4.194  -1.703  -1.703
  396   2HB   LYS  59          1HB       LYS  59  -5.070  -2.896  -2.896
  397   1HG   LYS  59          2HG       LYS  59  -4.166  -0.137  -0.137
  398   2HG   LYS  59          1HG       LYS  59  -3.684  -1.690  -1.690
  399   1HD   LYS  59          2HD       LYS  59  -6.320  -1.920  -1.920
  400   2HD   LYS  59          1HD       LYS  59  -6.220  -0.158  -0.158
  401   1HE   LYS  59          2HE       LYS  59  -4.055  -1.078  -1.078
  402   2HE   LYS  59          1HE       LYS  59  -5.493  -1.979  -1.979
  403   1HZ   LYS  59          2HZ       LYS  59  -5.433   0.957   0.957
  404   2HZ   LYS  59          1HZ       LYS  59  -5.287   0.228   0.228
  405   3HZ   LYS  59          3HZ       LYS  59  -6.720   0.050   0.050
  406    H    VAL  60           H        VAL  60  -5.181  -1.293  -1.293
  407    HA   VAL  60           HA       VAL  60  -6.065  -3.484  -3.484
  408    HB   VAL  60           HB       VAL  60  -6.092  -1.860  -1.860
  409   1HG1  VAL  60          2HG1      VAL  60  -3.810  -2.099  -2.099
  410   2HG1  VAL  60          1HG1      VAL  60  -3.627  -1.233  -1.233
  411   3HG1  VAL  60          3HG1      VAL  60  -4.046  -2.946  -2.946
  412   1HG2  VAL  60          3HG2      VAL  60  -5.451   0.074   0.074
  413   2HG2  VAL  60          2HG2      VAL  60  -6.863   0.123   0.123
  414   3HG2  VAL  60          1HG2      VAL  60  -5.259   0.422   0.422
  415    HA   PRO  61           HA       PRO  61 -10.427  -3.309  -3.309
  416   1HB   PRO  61          2HB       PRO  61 -10.642  -4.132  -4.132
  417   2HB   PRO  61          1HB       PRO  61 -10.263  -5.229  -5.229
  418   1HG   PRO  61          2HG       PRO  61  -8.424  -3.948  -3.948
  419   2HG   PRO  61          1HG       PRO  61  -8.420  -5.606  -5.606
  420   1HD   PRO  61          2HD       PRO  61  -6.711  -3.728  -3.728
  421   2HD   PRO  61          1HD       PRO  61  -7.371  -5.006  -5.006
  422    H    ALA  62           H        ALA  62 -12.082  -2.325  -2.325
  423    HA   ALA  62           HA       ALA  62 -11.413   0.421   0.421
  424   1HB   ALA  62          1HB       ALA  62 -13.519  -1.067  -1.067
  425   2HB   ALA  62          3HB       ALA  62 -14.097  -0.581  -0.581
  426   3HB   ALA  62          2HB       ALA  62 -13.585   0.646   0.646
  427    H    ALA  63           H        ALA  63 -10.621   0.858   0.858
  428    HA   ALA  63           HA       ALA  63 -10.919  -0.888  -0.888
  429   1HB   ALA  63          1HB       ALA  63 -10.144   2.041   2.041
  430   2HB   ALA  63          3HB       ALA  63  -9.855   1.041   1.041
  431   3HB   ALA  63          2HB       ALA  63  -9.031   0.674   0.674
  432    H    ASN  64           H        ASN  64 -12.348  -0.637  -0.637
  433    HA   ASN  64           HA       ASN  64 -14.771   0.999   0.999
  434   1HB   ASN  64          2HB       ASN  64 -15.693  -0.453  -0.453
  435   2HB   ASN  64          1HB       ASN  64 -15.160  -1.330  -1.330
  436   1HD2  ASN  64          2HD2      ASN  64 -13.581  -3.231  -3.231
  437   2HD2  ASN  64          1HD2      ASN  64 -15.090  -3.069  -3.069
  438    H    GLU  65           H        GLU  65 -15.863   1.843   1.843
  439    HA   GLU  65           HA       GLU  65 -14.573   3.994   3.994
  440   1HB   GLU  65          2HB       GLU  65 -16.412   4.017   4.017
  441   2HB   GLU  65          1HB       GLU  65 -16.998   3.030   3.030
  442   1HG   GLU  65          2HG       GLU  65 -17.576   1.697   1.697
  443   2HG   GLU  65          1HG       GLU  65 -15.990   1.045   1.045
  444    H    ARG  66           H        ARG  66 -14.233   0.610   0.610
  445    HA   ARG  66           HA       ARG  66 -13.004   1.050   1.050
  446   1HB   ARG  66          2HB       ARG  66 -13.648  -1.090  -1.090
  447   2HB   ARG  66          1HB       ARG  66 -11.959  -1.274  -1.274
  448   1HG   ARG  66          2HG       ARG  66 -12.670  -0.982  -0.982
  449   2HG   ARG  66          1HG       ARG  66 -14.347  -1.018  -1.018
  450   1HD   ARG  66          2HD       ARG  66 -12.352  -3.236  -3.236
  451   2HD   ARG  66          1HD       ARG  66 -13.514  -3.268  -3.268
  452    HE   ARG  66           HE       ARG  66 -14.628  -2.711  -2.711
  453   1HH1  ARG  66          1HH1      ARG  66 -13.379  -5.474  -5.474
  454   2HH1  ARG  66          2HH1      ARG  66 -14.866  -6.358  -6.358
  455   1HH2  ARG  66          1HH2      ARG  66 -16.843  -3.607  -3.607
  456   2HH2  ARG  66          2HH2      ARG  66 -16.828  -5.301  -5.301
  457    H    GLU  67           H        GLU  67 -11.832   1.396   1.396
  458    HA   GLU  67           HA       GLU  67  -9.002   1.410   1.410
  459   1HB   GLU  67          2HB       GLU  67  -9.376   0.249   0.249
  460   2HB   GLU  67          1HB       GLU  67 -10.557   1.431   1.431
  461   1HG   GLU  67          2HG       GLU  67  -7.789   2.391   2.391
  462   2HG   GLU  67          1HG       GLU  67  -8.056   1.402   1.402
  463    H    ILE  68           H        ILE  68 -11.525   3.553   3.553
  464    HA   ILE  68           HA       ILE  68 -10.048   5.895   5.895
  465    HB   ILE  68           HB       ILE  68 -12.822   5.234   5.234
  466   1HG1  ILE  68          2HG1      ILE  68 -13.425   5.903   5.903
  467   2HG1  ILE  68          1HG1      ILE  68 -11.892   6.739   6.739
  468   1HG2  ILE  68          2HG2      ILE  68 -12.155   7.409   7.409
  469   2HG2  ILE  68          1HG2      ILE  68 -11.833   8.049   8.049
  470   3HG2  ILE  68          3HG2      ILE  68 -13.470   7.569   7.569
  471   1HD1  ILE  68          2HD1      ILE  68 -10.706   4.550   4.550
  472   2HD1  ILE  68          1HD1      ILE  68 -12.263   3.742   3.742
  473   3HD1  ILE  68          3HD1      ILE  68 -11.871   4.595   4.595
  474    H    GLY  69           H        GLY  69 -11.779   5.225   5.225
  475   1HA   GLY  69          2HA       GLY  69 -10.319   7.336   7.336
  476   2HA   GLY  69          1HA       GLY  69 -11.382   6.164   6.164
  477    H    MET  70           H        MET  70 -10.188   3.783   3.783
  478    HA   MET  70           HA       MET  70  -8.158   3.325   3.325
  479   1HB   MET  70          2HB       MET  70  -9.523   2.003   2.003
  480   2HB   MET  70          1HB       MET  70  -7.895   1.973   1.973
  481   1HG   MET  70          2HG       MET  70  -7.108   0.737   0.737
  482   2HG   MET  70          1HG       MET  70  -8.519   1.140   1.140
  483   1HE   MET  70          1HE       MET  70  -8.086   0.327   0.327
  484   2HE   MET  70          3HE       MET  70  -7.046  -0.915  -0.915
  485   3HE   MET  70          2HE       MET  70  -8.496  -1.388  -1.388
  486    H    LEU  71           H        LEU  71  -7.936   3.948   3.948
  487    HA   LEU  71           HA       LEU  71  -5.072   4.157   4.157
  488   1HB   LEU  71          2HB       LEU  71  -6.822   3.392   3.392
  489   2HB   LEU  71          1HB       LEU  71  -7.414   5.056   5.056
  490    HG   LEU  71           HG       LEU  71  -5.088   3.853   3.853
  491   1HD1  LEU  71          1HD1      LEU  71  -7.353   5.400   5.400
  492   2HD1  LEU  71          3HD1      LEU  71  -5.989   6.488   6.488
  493   3HD1  LEU  71          2HD1      LEU  71  -6.067   4.959   4.959
  494   1HD2  LEU  71          3HD2      LEU  71  -3.935   5.294   5.294
  495   2HD2  LEU  71          2HD2      LEU  71  -3.717   5.872   5.872
  496   3HD2  LEU  71          1HD2      LEU  71  -4.872   6.667   6.667
  497    H    GLU  72           H        GLU  72  -7.743   6.454   6.454
  498    HA   GLU  72           HA       GLU  72  -5.964   8.789   8.789
  499   1HB   GLU  72          2HB       GLU  72  -8.195   9.054   9.054
  500   2HB   GLU  72          1HB       GLU  72  -8.877   8.327   8.327
  501   1HG   GLU  72          2HG       GLU  72  -8.665  10.252  10.252
  502   2HG   GLU  72          1HG       GLU  72  -7.182  10.745  10.745
  503    H    CYS  73           H        CYS  73  -6.134   6.547   6.547
  504    HA   CYS  73           HA       CYS  73  -6.696   7.810   7.810
  505   1HB   CYS  73          2HB       CYS  73  -4.586   5.844   5.844
  506   2HB   CYS  73          1HB       CYS  73  -4.706   6.324   6.324
  507    HG   CYS  73           HG       CYS  73  -7.394   5.555   5.555
  508    H    VAL  74           H        VAL  74  -3.631   7.865   7.865
  509    HA   VAL  74           HA       VAL  74  -2.614  10.076  10.076
  510    HB   VAL  74           HB       VAL  74  -0.545   9.663   9.663
  511   1HG1  VAL  74          3HG1      VAL  74  -1.856   7.786   7.786
  512   2HG1  VAL  74          2HG1      VAL  74  -1.328   6.851   6.851
  513   3HG1  VAL  74          1HG1      VAL  74  -0.150   7.749   7.749
  514   1HG2  VAL  74          2HG2      VAL  74  -2.347   8.020   8.020
  515   2HG2  VAL  74          1HG2      VAL  74  -1.337   9.391   9.391
  516   3HG2  VAL  74          3HG2      VAL  74  -0.592   7.856   7.856
  517    H    THR  75           H        THR  75  -3.293  12.096  12.096
  518    HA   THR  75           HA       THR  75  -4.697  12.927  12.927
  519    HB   THR  75           HB       THR  75  -4.205  14.177  14.177
  520    HG1  THR  75          1HG       THR  75  -4.142  16.176  16.176
  521   1HG2  THR  75          3HG2      THR  75  -1.530  13.738  13.738
  522   2HG2  THR  75          2HG2      THR  75  -1.799  15.479  15.479
  523   3HG2  THR  75          1HG2      THR  75  -2.077  14.608  14.608
  524    H    ALA  76           H        ALA  76  -3.679  11.803  11.803
  525    HA   ALA  76           HA       ALA  76  -1.168  13.158  13.158
  526   1HB   ALA  76          2HB       ALA  76  -1.732  10.472  10.472
  527   2HB   ALA  76          1HB       ALA  76  -1.951  10.652  10.652
  528   3HB   ALA  76          3HB       ALA  76  -0.414  11.089  11.089
  529    H    GLU  77           H        GLU  77  -3.878  14.210  14.210
  530    HA   GLU  77           HA       GLU  77  -5.419  14.811  14.811
  531   1HB   GLU  77          2HB       GLU  77  -4.290  16.192  16.192
  532   2HB   GLU  77          1HB       GLU  77  -3.117  16.043  16.043
  533   1HG   GLU  77          2HG       GLU  77  -2.654  13.860  13.860
  534   2HG   GLU  77          1HG       GLU  77  -2.839  15.290  15.290
  535    H    LEU  78           H        LEU  78  -5.544  12.186  12.186
  536    HA   LEU  78           HA       LEU  78  -5.029  10.208  10.208
  537   1HB   LEU  78          2HB       LEU  78  -7.250  11.093  11.093
  538   2HB   LEU  78          1HB       LEU  78  -7.865  10.889  10.889
  539    HG   LEU  78           HG       LEU  78  -6.473   8.615   8.615
  540   1HD1  LEU  78          2HD1      LEU  78  -6.621   9.627   9.627
  541   2HD1  LEU  78          1HD1      LEU  78  -7.303   8.009   8.009
  542   3HD1  LEU  78          3HD1      LEU  78  -5.640   8.319   8.319
  543   1HD2  LEU  78          1HD2      LEU  78  -9.216   9.134   9.134
  544   2HD2  LEU  78          3HD2      LEU  78  -8.844   8.709   8.709
  545   3HD2  LEU  78          2HD2      LEU  78  -8.597   7.527   7.527
  546    H    LYS  79           H        LYS  79  -4.425  10.048  10.048
  547    HA   LYS  79           HA       LYS  79  -5.280  12.032  12.032
  548   1HB   LYS  79          2HB       LYS  79  -3.796   9.499   9.499
  549   2HB   LYS  79          1HB       LYS  79  -3.536  11.128  11.128
  550   1HG   LYS  79          2HG       LYS  79  -3.012  11.309  11.309
  551   2HG   LYS  79          1HG       LYS  79  -2.248   9.808   9.808
  552   1HD   LYS  79          2HD       LYS  79  -0.553  11.139  11.139
  553   2HD   LYS  79          1HD       LYS  79  -1.607  11.515  11.515
  554   1HE   LYS  79          2HE       LYS  79  -2.638  13.301  13.301
  555   2HE   LYS  79          1HE       LYS  79  -1.112  13.120  13.120
  556   1HZ   LYS  79          3HZ       LYS  79  -1.186  13.471  13.471
  557   2HZ   LYS  79          2HZ       LYS  79  -1.120  14.801  14.801
  558   3HZ   LYS  79          1HZ       LYS  79   0.138  13.659  13.659
  559    HA   PRO  80           HA       PRO  80  -8.274   9.428   9.428
  560   1HB   PRO  80          2HB       PRO  80  -7.486   9.054   9.054
  561   2HB   PRO  80          1HB       PRO  80  -8.078  10.611  10.611
  562   1HG   PRO  80          2HG       PRO  80  -5.337   9.755   9.755
  563   2HG   PRO  80          1HG       PRO  80  -6.049  11.373  11.373
  564   1HD   PRO  80          2HD       PRO  80  -4.376  10.284  10.284
  565   2HD   PRO  80          1HD       PRO  80  -5.314  11.787  11.787
  566    H    ASN  81           H        ASN  81  -4.992   8.303   8.303
  567    HA   ASN  81           HA       ASN  81  -5.938   5.489   5.489
  568   1HB   ASN  81          2HB       ASN  81  -3.490   5.194   5.194
  569   2HB   ASN  81          1HB       ASN  81  -4.446   6.214   6.214
  570   1HD2  ASN  81          2HD2      ASN  81  -1.418   8.197   8.197
  571   2HD2  ASN  81          1HD2      ASN  81  -1.893   6.837   6.837
  572    H    SER  82           H        SER  82  -4.802   7.586   7.586
  573    HA   SER  82           HA       SER  82  -2.921   6.132   6.132
  574   1HB   SER  82          2HB       SER  82  -5.415   7.517   7.517
  575   2HB   SER  82          1HB       SER  82  -3.923   7.260   7.260
  576    HG   SER  82           HG       SER  82  -3.398   8.425   8.425
  577    H    ARG  83           H        ARG  83  -3.117   4.519   4.519
  578    HA   ARG  83           HA       ARG  83  -5.591   3.212   3.212
  579   1HB   ARG  83          2HB       ARG  83  -4.275   2.573   2.573
  580   2HB   ARG  83          1HB       ARG  83  -4.368   1.152   1.152
  581   1HG   ARG  83          2HG       ARG  83  -6.604   0.956   0.956
  582   2HG   ARG  83          1HG       ARG  83  -6.860   2.618   2.618
  583   1HD   ARG  83          2HD       ARG  83  -7.599   2.462   2.462
  584   2HD   ARG  83          1HD       ARG  83  -6.054   3.335   3.335
  585    HE   ARG  83           HE       ARG  83  -5.295   0.696   0.696
  586   1HH1  ARG  83          1HH1      ARG  83  -7.238  -0.530  -0.530
  587   2HH1  ARG  83          2HH1      ARG  83  -7.164   0.046   0.046
  588   1HH2  ARG  83          1HH2      ARG  83  -5.286   2.850   2.850
  589   2HH2  ARG  83          2HH2      ARG  83  -6.058   1.961   1.961
  590    H    LEU  84           H        LEU  84  -5.188   1.489   1.489
  591    HA   LEU  84           HA       LEU  84  -2.685   1.739   1.739
  592   1HB   LEU  84          2HB       LEU  84  -5.239   0.181   0.181
  593   2HB   LEU  84          1HB       LEU  84  -3.879  -0.390  -0.390
  594    HG   LEU  84           HG       LEU  84  -4.814   2.467   2.467
  595   1HD1  LEU  84          3HD1      LEU  84  -6.621   0.894   0.894
  596   2HD1  LEU  84          2HD1      LEU  84  -5.604   0.122   0.122
  597   3HD1  LEU  84          1HD1      LEU  84  -6.142   1.809   1.809
  598   1HD2  LEU  84          1HD2      LEU  84  -2.516   1.379   1.379
  599   2HD2  LEU  84          3HD2      LEU  84  -3.343   2.687   2.687
  600   3HD2  LEU  84          2HD2      LEU  84  -3.569   1.019   1.019
  601    H    SER  85           H        SER  85  -0.879   0.299   0.299
  602    HA   SER  85           HA       SER  85  -0.285  -1.148  -1.148
  603   1HB   SER  85          2HB       SER  85   1.304  -2.318  -2.318
  604   2HB   SER  85          1HB       SER  85   1.078  -0.806  -0.806
  605    HG   SER  85           HG       SER  85  -0.648  -2.210  -2.210
  606    H    CYS  86           H        CYS  86  -2.705  -2.207  -2.207
  607    HA   CYS  86           HA       CYS  86  -2.724  -4.937  -4.937
  608   1HB   CYS  86          2HB       CYS  86  -4.023  -3.965  -3.965
  609   2HB   CYS  86          1HB       CYS  86  -3.613  -5.626  -5.626
  610    H    GLN  87           H        GLN  87  -4.189  -2.949  -2.949
  611    HA   GLN  87           HA       GLN  87  -6.919  -4.043  -4.043
  612   1HB   GLN  87          2HB       GLN  87  -7.443  -1.626  -1.626
  613   2HB   GLN  87          1HB       GLN  87  -7.492  -1.929  -1.929
  614   1HG   GLN  87          2HG       GLN  87  -6.111   0.019   0.019
  615   2HG   GLN  87          1HG       GLN  87  -5.080  -1.311  -1.311
  616   1HE2  GLN  87          2HE2      GLN  87  -3.126  -1.025  -1.025
  617   2HE2  GLN  87          1HE2      GLN  87  -3.204  -1.387  -1.387
  618    H    ILE  88           H        ILE  88  -4.577  -2.945  -2.945
  619    HA   ILE  88           HA       ILE  88  -6.403  -3.704  -3.704
  620    HB   ILE  88           HB       ILE  88  -3.480  -3.316  -3.316
  621   1HG1  ILE  88          2HG1      ILE  88  -5.414  -1.072  -1.072
  622   2HG1  ILE  88          1HG1      ILE  88  -4.061  -1.553  -1.553
  623   1HG2  ILE  88          1HG2      ILE  88  -6.068  -2.845  -2.845
  624   2HG2  ILE  88          3HG2      ILE  88  -4.666  -1.884  -1.884
  625   3HG2  ILE  88          2HG2      ILE  88  -4.606  -3.642  -3.642
  626   1HD1  ILE  88          1HD1      ILE  88  -2.541  -1.092  -1.092
  627   2HD1  ILE  88          3HD1      ILE  88  -3.937  -0.337  -0.337
  628   3HD1  ILE  88          2HD1      ILE  88  -3.290   0.331   0.331
  629    H    ILE  89           H        ILE  89  -6.077  -5.499  -5.499
  630    HA   ILE  89           HA       ILE  89  -4.249  -7.605  -7.605
  631    HB   ILE  89           HB       ILE  89  -6.945  -7.628  -7.628
  632   1HG1  ILE  89          2HG1      ILE  89  -7.116  -7.506  -7.506
  633   2HG1  ILE  89          1HG1      ILE  89  -7.380  -9.205  -9.205
  634   1HG2  ILE  89          3HG2      ILE  89  -5.407  -9.266  -9.266
  635   2HG2  ILE  89          2HG2      ILE  89  -5.154 -10.024 -10.024
  636   3HG2  ILE  89          1HG2      ILE  89  -6.757 -10.034 -10.034
  637   1HD1  ILE  89          2HD1      ILE  89  -4.852  -9.517  -9.517
  638   2HD1  ILE  89          1HD1      ILE  89  -4.882  -7.918  -7.918
  639   3HD1  ILE  89          3HD1      ILE  89  -5.836  -9.231  -9.231
  640    H    MET  90           H        MET  90  -3.110  -8.846  -8.846
  641    HA   MET  90           HA       MET  90  -2.733  -7.161  -7.161
  642   1HB   MET  90          2HB       MET  90  -0.751  -7.360  -7.360
  643   2HB   MET  90          1HB       MET  90  -1.005  -9.086  -9.086
  644   1HG   MET  90          2HG       MET  90   0.746  -8.438  -8.438
  645   2HG   MET  90          1HG       MET  90  -0.470  -9.614  -9.614
  646   1HE   MET  90          1HE       MET  90   0.128  -6.014  -6.014
  647   2HE   MET  90          3HE       MET  90   1.080  -6.048  -6.048
  648   3HE   MET  90          2HE       MET  90  -0.429  -5.129  -5.129
  649    H    THR  91           H        THR  91  -3.337  -7.948  -7.948
  650    HA   THR  91           HA       THR  91  -4.188 -10.791 -10.791
  651    HB   THR  91           HB       THR  91  -4.903  -9.636  -9.636
  652    HG1  THR  91          1HG       THR  91  -4.972  -7.516  -7.516
  653   1HG2  THR  91          2HG2      THR  91  -6.199  -9.360  -9.360
  654   2HG2  THR  91          1HG2      THR  91  -7.007  -8.859  -8.859
  655   3HG2  THR  91          3HG2      THR  91  -6.550 -10.547 -10.547
  656    HA   PRO  92           HA       PRO  92  -0.754 -11.892 -11.892
  657   1HB   PRO  92          2HB       PRO  92  -1.875 -13.309 -13.309
  658   2HB   PRO  92          1HB       PRO  92  -1.741 -13.935 -13.935
  659   1HG   PRO  92          2HG       PRO  92  -4.091 -12.752 -12.752
  660   2HG   PRO  92          1HG       PRO  92  -4.012 -14.106 -14.106
  661   1HD   PRO  92          2HD       PRO  92  -4.833 -11.602 -11.602
  662   2HD   PRO  92          1HD       PRO  92  -4.078 -12.743 -12.743
  663    H    GLU  93           H        GLU  93  -2.958  -9.633  -9.633
  664    HA   GLU  93           HA       GLU  93  -1.454  -9.222  -9.222
  665   1HB   GLU  93          2HB       GLU  93  -3.459  -8.014  -8.014
  666   2HB   GLU  93          1HB       GLU  93  -3.912  -9.604  -9.604
  667   1HG   GLU  93          2HG       GLU  93  -5.470  -8.253  -8.253
  668   2HG   GLU  93          1HG       GLU  93  -4.194  -8.323  -8.323
  669    H    LEU  94           H        LEU  94  -2.702  -7.518  -7.518
  670    HA   LEU  94           HA       LEU  94  -1.578  -4.943  -4.943
  671   1HB   LEU  94          2HB       LEU  94  -3.173  -6.224  -6.224
  672   2HB   LEU  94          1HB       LEU  94  -1.928  -5.241  -5.241
  673    HG   LEU  94           HG       LEU  94  -3.936  -4.352  -4.352
  674   1HD1  LEU  94          3HD1      LEU  94  -3.924  -4.386  -4.386
  675   2HD1  LEU  94          2HD1      LEU  94  -3.725  -2.708  -2.708
  676   3HD1  LEU  94          1HD1      LEU  94  -5.114  -3.636  -3.636
  677   1HD2  LEU  94          2HD2      LEU  94  -1.280  -3.449  -3.449
  678   2HD2  LEU  94          1HD2      LEU  94  -2.564  -2.644  -2.644
  679   3HD2  LEU  94          3HD2      LEU  94  -2.300  -2.244  -2.244
  680    H    ASP  95           H        ASP  95   0.650  -6.456  -6.456
  681    HA   ASP  95           HA       ASP  95   2.124  -6.488  -6.488
  682   1HB   ASP  95          2HB       ASP  95   2.834  -8.442  -8.442
  683   2HB   ASP  95          1HB       ASP  95   1.971  -8.109  -8.109
  684    H    GLY  96           H        GLY  96   4.059  -5.394  -5.394
  685   1HA   GLY  96          2HA       GLY  96   5.921  -3.996  -3.996
  686   2HA   GLY  96          1HA       GLY  96   4.838  -3.425  -3.425
  687    H    ILE  97           H        ILE  97   3.458  -3.835  -3.835
  688    HA   ILE  97           HA       ILE  97   2.723  -1.051  -1.051
  689    HB   ILE  97           HB       ILE  97   1.022  -2.136  -2.136
  690   1HG1  ILE  97          2HG1      ILE  97   1.302  -2.511  -2.511
  691   2HG1  ILE  97          1HG1      ILE  97   3.010  -2.125  -2.125
  692   1HG2  ILE  97          2HG2      ILE  97   3.033  -4.289  -4.289
  693   2HG2  ILE  97          1HG2      ILE  97   1.367  -4.342  -4.342
  694   3HG2  ILE  97          3HG2      ILE  97   1.702  -4.349  -4.349
  695   1HD1  ILE  97          2HD1      ILE  97   1.237  -0.161  -0.161
  696   2HD1  ILE  97          1HD1      ILE  97   1.012  -0.289  -0.289
  697   3HD1  ILE  97          3HD1      ILE  97   2.599   0.088   0.088
  698    H    VAL  98           H        VAL  98   3.476   0.593   0.593
  699    HA   VAL  98           HA       VAL  98   5.947   0.176   0.176
  700    HB   VAL  98           HB       VAL  98   4.824   2.569   2.569
  701   1HG1  VAL  98          2HG1      VAL  98   6.561   2.636   2.636
  702   2HG1  VAL  98          1HG1      VAL  98   7.692   2.415   2.415
  703   3HG1  VAL  98          3HG1      VAL  98   6.599   3.799   3.799
  704   1HG2  VAL  98          1HG2      VAL  98   7.035   0.610   0.610
  705   2HG2  VAL  98          3HG2      VAL  98   5.515   0.840   0.840
  706   3HG2  VAL  98          2HG2      VAL  98   6.735   2.113   2.113
  707    H    VAL  99           H        VAL  99   5.562   0.485   0.485
  708    HA   VAL  99           HA       VAL  99   3.129   2.055   2.055
  709    HB   VAL  99           HB       VAL  99   4.850   0.624   0.624
  710   1HG1  VAL  99          3HG1      VAL  99   2.007   1.426   1.426
  711   2HG1  VAL  99          2HG1      VAL  99   2.322  -0.045  -0.045
  712   3HG1  VAL  99          1HG1      VAL  99   3.037   1.488   1.488
  713   1HG2  VAL  99          2HG2      VAL  99   3.565  -0.599  -0.599
  714   2HG2  VAL  99          1HG2      VAL  99   4.785  -1.236  -1.236
  715   3HG2  VAL  99          3HG2      VAL  99   3.082  -1.296  -1.296
  716    H    ASP 100           H        ASP 100   3.408   3.294   3.294
  717    HA   ASP 100           HA       ASP 100   6.084   4.144   4.144
  718   1HB   ASP 100          2HB       ASP 100   4.265   5.873   5.873
  719   2HB   ASP 100          1HB       ASP 100   5.497   6.587   6.587
  720    H    VAL 101           H        VAL 101   6.099   5.035   5.035
  721    HA   VAL 101           HA       VAL 101   3.431   5.302   5.302
  722    HB   VAL 101           HB       VAL 101   6.154   5.645   5.645
  723   1HG1  VAL 101          3HG1      VAL 101   3.934   6.184   6.184
  724   2HG1  VAL 101          2HG1      VAL 101   3.653   4.442   4.442
  725   3HG1  VAL 101          1HG1      VAL 101   5.050   5.105   5.105
  726   1HG2  VAL 101          1HG2      VAL 101   5.764   3.437   3.437
  727   2HG2  VAL 101          3HG2      VAL 101   6.432   3.325   3.325
  728   3HG2  VAL 101          2HG2      VAL 101   4.720   2.995   2.995
  729    HA   PRO 102           HA       PRO 102   3.481   9.606   9.606
  730   1HB   PRO 102          2HB       PRO 102   1.678  10.378  10.378
  731   2HB   PRO 102          1HB       PRO 102   1.233   9.670   9.670
  732   1HG   PRO 102          2HG       PRO 102   1.414   8.404   8.404
  733   2HG   PRO 102          1HG       PRO 102   0.260   8.112   8.112
  734   1HD   PRO 102          2HD       PRO 102   2.330   6.439   6.439
  735   2HD   PRO 102          1HD       PRO 102   1.648   6.649   6.649
  736    H    ASP 103           H        ASP 103   4.908  11.099  11.099
  737    HA   ASP 103           HA       ASP 103   5.776  11.364  11.364
  738   1HB   ASP 103          2HB       ASP 103   7.780  12.338  12.338
  739   2HB   ASP 103          1HB       ASP 103   7.429  10.917  10.917
  740    H    ARG 104           H        ARG 104   3.323  12.193  12.193
  741    HA   ARG 104           HA       ARG 104   3.020  14.833  14.833
  742   1HB   ARG 104          2HB       ARG 104   1.265  13.310  13.310
  743   2HB   ARG 104          1HB       ARG 104   1.442  12.746  12.746
  744   1HG   ARG 104          2HG       ARG 104   0.483  15.512  15.512
  745   2HG   ARG 104          1HG       ARG 104  -0.587  14.143  14.143
  746   1HD   ARG 104          2HD       ARG 104   0.947  15.779  15.779
  747   2HD   ARG 104          1HD       ARG 104  -0.589  14.934  14.934
  748    HE   ARG 104           HE       ARG 104   1.946  13.356  13.356
  749   1HH1  ARG 104          1HH1      ARG 104   0.187  11.430  11.430
  750   2HH1  ARG 104          2HH1      ARG 104  -0.168  11.557  11.557
  751   1HH2  ARG 104          1HH2      ARG 104   1.025  14.799  14.799
  752   2HH2  ARG 104          2HH2      ARG 104   0.311  13.462  13.462
  753    H    GLN 105           H        GLN 105   3.962  13.640  13.640
  754    HA   GLN 105           HA       GLN 105   3.066  15.944  15.944
  755   1HB   GLN 105          2HB       GLN 105   4.424  14.868  14.868
  756   2HB   GLN 105          1HB       GLN 105   3.462  13.658  13.658
  757   1HG   GLN 105          2HG       GLN 105   5.295  12.729  12.729
  758   2HG   GLN 105          1HG       GLN 105   6.187  14.251  14.251
  759   1HE2  GLN 105          2HE2      GLN 105   8.033  13.267  13.267
  760   2HE2  GLN 105          1HE2      GLN 105   8.002  14.050  14.050
  761    H    TRP 106           H        TRP 106   5.352  15.721  15.721
  762    HA   TRP 106           HA       TRP 106   7.291  17.559  17.559
  763   1HB   TRP 106          2HB       TRP 106   8.341  15.674  15.674
  764   2HB   TRP 106          1HB       TRP 106   7.320  15.766  15.766
  765    HD1  TRP 106           HD       TRP 106   9.548  15.894  15.894
  766    HE1  TRP 106          1HE       TRP 106  11.075  17.887  17.887
  767    HE3  TRP 106          3HE       TRP 106   8.125  19.192  19.192
  768    HZ2  TRP 106          2HZ       TRP 106  11.621  20.531  20.531
  769    HZ3  TRP 106          3HZ       TRP 106   9.164  21.438  21.438
  770    HH2  TRP 106           HH       TRP 106  10.908  22.110  22.110

  Start of MODEL    2
    1   1H    SER   1          1HT       SER   1   2.452 -10.031 -10.031
    2   2H    SER   1          3HT       SER   1   0.944 -10.173 -10.173
    3   3H    SER   1          2HT       SER   1   2.195 -11.252 -11.252
    4    HA   SER   1           HA       SER   1   2.565  -9.889  -9.889
    5   1HB   SER   1          2HB       SER   1   1.693  -7.348  -7.348
    6   2HB   SER   1          1HB       SER   1   1.011  -8.256  -8.256
    7    HG   SER   1           HG       SER   1  -0.326  -9.284  -9.284
    8    H    LYS   2           H        LYS   2   4.372  -8.575  -8.575
    9    HA   LYS   2           HA       LYS   2   6.524  -8.312  -8.312
   10   1HB   LYS   2          2HB       LYS   2   6.148  -7.966  -7.966
   11   2HB   LYS   2          1HB       LYS   2   6.102  -6.271  -6.271
   12   1HG   LYS   2          2HG       LYS   2   8.349  -6.261  -6.261
   13   2HG   LYS   2          1HG       LYS   2   8.275  -7.490  -7.490
   14   1HD   LYS   2          2HD       LYS   2   7.869  -8.453  -8.453
   15   2HD   LYS   2          1HD       LYS   2   9.497  -7.902  -7.902
   16   1HE   LYS   2          2HE       LYS   2   9.823  -9.579  -9.579
   17   2HE   LYS   2          1HE       LYS   2   8.087  -9.734  -9.734
   18   1HZ   LYS   2          1HZ       LYS   2   7.841 -10.508 -10.508
   19   2HZ   LYS   2          3HZ       LYS   2   9.532 -10.599 -10.599
   20   3HZ   LYS   2          2HZ       LYS   2   8.690 -11.581 -11.581
   21    H    VAL   3           H        VAL   3   6.653  -6.946  -6.946
   22    HA   VAL   3           HA       VAL   3   5.236  -4.331  -4.331
   23    HB   VAL   3           HB       VAL   3   5.015  -6.470  -6.470
   24   1HG1  VAL   3          2HG1      VAL   3   5.384  -4.296  -4.296
   25   2HG1  VAL   3          1HG1      VAL   3   4.086  -3.592  -3.592
   26   3HG1  VAL   3          3HG1      VAL   3   3.724  -4.847  -4.847
   27   1HG2  VAL   3          1HG2      VAL   3   3.442  -5.447  -5.447
   28   2HG2  VAL   3          3HG2      VAL   3   3.166  -6.882  -6.882
   29   3HG2  VAL   3          2HG2      VAL   3   2.554  -5.315  -5.315
   30    H    VAL   4           H        VAL   4   6.158  -2.644  -2.644
   31    HA   VAL   4           HA       VAL   4   8.637  -3.164  -3.164
   32    HB   VAL   4           HB       VAL   4   8.323  -0.863  -0.863
   33   1HG1  VAL   4          1HG1      VAL   4  10.149  -1.171  -1.171
   34   2HG1  VAL   4          3HG1      VAL   4  10.882  -2.247  -2.247
   35   3HG1  VAL   4          2HG1      VAL   4  10.603  -0.551  -0.551
   36   1HG2  VAL   4          1HG2      VAL   4   9.102  -3.710  -3.710
   37   2HG2  VAL   4          3HG2      VAL   4   8.087  -2.629  -2.629
   38   3HG2  VAL   4          2HG2      VAL   4   9.835  -2.400  -2.400
   39    H    TYR   5           H        TYR   5   8.608  -2.129  -2.129
   40    HA   TYR   5           HA       TYR   5   6.388  -0.222  -0.222
   41   1HB   TYR   5          2HB       TYR   5   8.251  -1.771  -1.771
   42   2HB   TYR   5          1HB       TYR   5   6.755  -0.963  -0.963
   43    HD1  TYR   5          1HD       TYR   5   4.709  -1.535  -1.535
   44    HD2  TYR   5          2HD       TYR   5   8.084  -4.118  -4.118
   45    HE1  TYR   5          1HE       TYR   5   3.385  -3.514  -3.514
   46    HE2  TYR   5          2HE       TYR   5   6.751  -5.993  -5.993
   47    HH   TYR   5           HH       TYR   5   3.791  -6.341  -6.341
   48    H    VAL   6           H        VAL   6   6.736   1.824   1.824
   49    HA   VAL   6           HA       VAL   6   9.617   2.667   2.667
   50    HB   VAL   6           HB       VAL   6   7.386   4.512   4.512
   51   1HG1  VAL   6          2HG1      VAL   6  10.001   4.959   4.959
   52   2HG1  VAL   6          1HG1      VAL   6  10.116   4.704   4.704
   53   3HG1  VAL   6          3HG1      VAL   6   9.068   5.970   5.970
   54   1HG2  VAL   6          3HG2      VAL   6   7.426   2.484   2.484
   55   2HG2  VAL   6          2HG2      VAL   6   7.780   4.004   4.004
   56   3HG2  VAL   6          1HG2      VAL   6   9.091   2.897   2.897
   57    H    SER   7           H        SER   7   9.965   4.384   4.384
   58    HA   SER   7           HA       SER   7   7.879   4.449   4.449
   59   1HB   SER   7          2HB       SER   7   9.585   3.792   3.792
   60   2HB   SER   7          1HB       SER   7  10.658   3.782   3.782
   61    HG   SER   7           HG       SER   7  10.474   5.556   5.556
   62    H    HIS   8           H        HIS   8   7.537   6.551   6.551
   63    HA   HIS   8           HA       HIS   8   7.598   8.765   8.765
   64   1HB   HIS   8          2HB       HIS   8   7.337  10.041  10.041
   65   2HB   HIS   8          1HB       HIS   8   6.055   8.992   8.992
   66    HD1  HIS   8          1HD       HIS   8   5.152   7.786   7.786
   67    HD2  HIS   8          2HD       HIS   8   9.292   8.043   8.043
   68    HE1  HIS   8          1HE       HIS   8   5.807   6.487   6.487
   69    H    ASP   9           H        ASP   9  10.153   7.370   7.370
   70    HA   ASP   9           HA       ASP   9  11.732   9.884   9.884
   71   1HB   ASP   9          2HB       ASP   9  13.156   8.742   8.742
   72   2HB   ASP   9          1HB       ASP   9  11.532   8.215   8.215
   73    H    GLY  10           H        GLY  10  11.099   7.389   7.389
   74   1HA   GLY  10          2HA       GLY  10  12.219   7.511   7.511
   75   2HA   GLY  10          1HA       GLY  10  13.724   7.837   7.837
   76    H    THR  11           H        THR  11  13.402   5.721   5.721
   77    HA   THR  11           HA       THR  11  14.699   3.603   3.603
   78    HB   THR  11           HB       THR  11  13.501   4.240   4.240
   79    HG1  THR  11          1HG       THR  11  15.255   2.125   2.125
   80   1HG2  THR  11          3HG2      THR  11  12.826   1.508   1.508
   81   2HG2  THR  11          2HG2      THR  11  13.147   1.733   1.733
   82   3HG2  THR  11          1HG2      THR  11  11.821   2.600   2.600
   83    H    ARG  12           H        ARG  12  14.062   1.986   1.986
   84    HA   ARG  12           HA       ARG  12  11.127   1.585   1.585
   85   1HB   ARG  12          2HB       ARG  12  13.517   1.827   1.827
   86   2HB   ARG  12          1HB       ARG  12  12.080   0.962   0.962
   87   1HG   ARG  12          2HG       ARG  12  10.717   2.989   2.989
   88   2HG   ARG  12          1HG       ARG  12  12.231   3.842   3.842
   89   1HD   ARG  12          2HD       ARG  12  11.383   2.601   2.601
   90   2HD   ARG  12          1HD       ARG  12  11.501   4.335   4.335
   91    HE   ARG  12           HE       ARG  12  13.934   4.046   4.046
   92   1HH1  ARG  12          1HH1      ARG  12  12.389   2.247   2.247
   93   2HH1  ARG  12          2HH1      ARG  12  13.654   1.084   1.084
   94   1HH2  ARG  12          1HH2      ARG  12  15.482   2.166   2.166
   95   2HH2  ARG  12          2HH2      ARG  12  15.405   1.038   1.038
   96    H    ARG  13           H        ARG  13  10.569  -0.581  -0.581
   97    HA   ARG  13           HA       ARG  13  12.527  -2.750  -2.750
   98   1HB   ARG  13          2HB       ARG  13  10.753  -1.998  -1.998
   99   2HB   ARG  13          1HB       ARG  13   9.656  -2.963  -2.963
  100   1HG   ARG  13          2HG       ARG  13  10.486  -4.857  -4.857
  101   2HG   ARG  13          1HG       ARG  13  12.111  -4.410  -4.410
  102   1HD   ARG  13          2HD       ARG  13  10.759  -3.631  -3.631
  103   2HD   ARG  13          1HD       ARG  13  12.194  -4.655  -4.655
  104    HE   ARG  13           HE       ARG  13  12.547  -2.072  -2.072
  105   1HH1  ARG  13          1HH1      ARG  13  13.500  -4.138  -4.138
  106   2HH1  ARG  13          2HH1      ARG  13  14.203  -2.900  -2.900
  107   1HH2  ARG  13          1HH2      ARG  13  13.063  -0.297  -0.297
  108   2HH2  ARG  13          2HH2      ARG  13  13.957  -0.727  -0.727
  109    H    GLU  14           H        GLU  14  11.935  -4.782  -4.782
  110    HA   GLU  14           HA       GLU  14   9.862  -4.396  -4.396
  111   1HB   GLU  14          2HB       GLU  14  12.512  -5.819  -5.819
  112   2HB   GLU  14          1HB       GLU  14  11.408  -5.265  -5.265
  113   1HG   GLU  14          2HG       GLU  14  12.696  -3.408  -3.408
  114   2HG   GLU  14          1HG       GLU  14  11.935  -2.949  -2.949
  115    H    LEU  15           H        LEU  15   8.374  -6.071  -6.071
  116    HA   LEU  15           HA       LEU  15   9.231  -8.659  -8.659
  117   1HB   LEU  15          2HB       LEU  15   6.714  -7.027  -7.027
  118   2HB   LEU  15          1HB       LEU  15   6.607  -8.771  -8.771
  119    HG   LEU  15           HG       LEU  15   8.256  -6.874  -6.874
  120   1HD1  LEU  15          1HD1      LEU  15   5.570  -8.023  -8.023
  121   2HD1  LEU  15          3HD1      LEU  15   6.578  -8.462  -8.462
  122   3HD1  LEU  15          2HD1      LEU  15   6.308  -6.763  -6.763
  123   1HD2  LEU  15          2HD2      LEU  15   9.306  -9.100  -9.100
  124   2HD2  LEU  15          1HD2      LEU  15   8.833  -8.781  -8.781
  125   3HD2  LEU  15          3HD2      LEU  15   7.826  -9.829  -9.829
  126    H    ASP  16           H        ASP  16   8.475 -10.556 -10.556
  127    HA   ASP  16           HA       ASP  16   7.499 -10.232 -10.232
  128   1HB   ASP  16          2HB       ASP  16   9.674 -11.534 -11.534
  129   2HB   ASP  16          1HB       ASP  16   8.507 -12.799 -12.799
  130    H    VAL  17           H        VAL  17   5.276  -9.973  -9.973
  131    HA   VAL  17           HA       VAL  17   4.040 -12.033 -12.033
  132    HB   VAL  17           HB       VAL  17   3.206  -9.369  -9.369
  133   1HG1  VAL  17          3HG1      VAL  17   1.598 -11.368 -11.368
  134   2HG1  VAL  17          2HG1      VAL  17   1.137  -9.675  -9.675
  135   3HG1  VAL  17          1HG1      VAL  17   1.214 -10.736 -10.736
  136   1HG2  VAL  17          1HG2      VAL  17   4.531 -10.212 -10.212
  137   2HG2  VAL  17          3HG2      VAL  17   4.035  -8.580  -8.580
  138   3HG2  VAL  17          2HG2      VAL  17   2.932  -9.619  -9.619
  139    H    ALA  18           H        ALA  18   1.882 -12.886 -12.886
  140    HA   ALA  18           HA       ALA  18   1.943 -13.487 -13.487
  141   1HB   ALA  18          1HB       ALA  18   2.449 -15.368 -15.368
  142   2HB   ALA  18          3HB       ALA  18   0.912 -15.104 -15.104
  143   3HB   ALA  18          2HB       ALA  18   0.927 -15.637 -15.637
  144    H    ASP  19           H        ASP  19  -0.762 -14.889 -14.889
  145    HA   ASP  19           HA       ASP  19  -2.431 -12.460 -12.460
  146   1HB   ASP  19          2HB       ASP  19  -3.802 -13.895 -13.895
  147   2HB   ASP  19          1HB       ASP  19  -2.154 -14.414 -14.414
  148    H    GLY  20           H        GLY  20  -3.682 -11.886 -11.886
  149   1HA   GLY  20          2HA       GLY  20  -5.517 -12.539 -12.539
  150   2HA   GLY  20          1HA       GLY  20  -4.653 -14.047 -14.047
  151    H    VAL  21           H        VAL  21  -2.213 -11.893 -11.893
  152    HA   VAL  21           HA       VAL  21  -2.292 -11.631 -11.631
  153    HB   VAL  21           HB       VAL  21  -0.105 -11.174 -11.174
  154   1HG1  VAL  21          2HG1      VAL  21  -0.145 -11.176 -11.176
  155   2HG1  VAL  21          1HG1      VAL  21   1.342 -11.426 -11.426
  156   3HG1  VAL  21          3HG1      VAL  21   0.448  -9.915  -9.915
  157   1HG2  VAL  21          3HG2      VAL  21  -1.088 -13.567 -13.567
  158   2HG2  VAL  21          2HG2      VAL  21  -0.219 -13.461 -13.461
  159   3HG2  VAL  21          1HG2      VAL  21   0.663 -13.343 -13.343
  160    H    SER  22           H        SER  22  -1.307  -9.592  -9.592
  161    HA   SER  22           HA       SER  22  -2.196  -7.182  -7.182
  162   1HB   SER  22          2HB       SER  22  -2.153  -6.615  -6.615
  163   2HB   SER  22          1HB       SER  22  -3.583  -6.903  -6.903
  164    HG   SER  22           HG       SER  22  -3.598  -8.990  -8.990
  165    H    LEU  23           H        LEU  23  -0.849  -5.221  -5.221
  166    HA   LEU  23           HA       LEU  23   1.934  -5.599  -5.599
  167   1HB   LEU  23          2HB       LEU  23   0.479  -3.296  -3.296
  168   2HB   LEU  23          1HB       LEU  23   2.049  -3.226  -3.226
  169    HG   LEU  23           HG       LEU  23  -0.655  -3.552  -3.552
  170   1HD1  LEU  23          1HD1      LEU  23   0.885  -1.356  -1.356
  171   2HD1  LEU  23          3HD1      LEU  23   1.490  -1.869  -1.869
  172   3HD1  LEU  23          2HD1      LEU  23  -0.225  -1.515  -1.515
  173   1HD2  LEU  23          3HD2      LEU  23   1.981  -4.577  -4.577
  174   2HD2  LEU  23          2HD2      LEU  23   0.361  -5.172  -5.172
  175   3HD2  LEU  23          1HD2      LEU  23   0.985  -3.758  -3.758
  176    H    MET  24           H        MET  24  -0.132  -5.329  -5.329
  177    HA   MET  24           HA       MET  24   2.063  -5.256  -5.256
  178   1HB   MET  24          2HB       MET  24   0.033  -4.335  -4.335
  179   2HB   MET  24          1HB       MET  24  -0.892  -5.730  -5.730
  180   1HG   MET  24          2HG       MET  24  -0.657  -6.709  -6.709
  181   2HG   MET  24          1HG       MET  24   1.096  -6.597  -6.597
  182   1HE   MET  24          2HE       MET  24  -0.954  -6.525  -6.525
  183   2HE   MET  24          1HE       MET  24   0.715  -6.375  -6.375
  184   3HE   MET  24          3HE       MET  24  -0.518  -5.236  -5.236
  185    H    GLN  25           H        GLN  25  -0.308  -7.801  -7.801
  186    HA   GLN  25           HA       GLN  25   0.603  -9.872  -9.872
  187   1HB   GLN  25          2HB       GLN  25  -1.246  -9.903  -9.903
  188   2HB   GLN  25          1HB       GLN  25  -0.115  -9.814  -9.814
  189   1HG   GLN  25          2HG       GLN  25   0.654 -12.019 -12.019
  190   2HG   GLN  25          1HG       GLN  25   0.016 -12.069 -12.069
  191   1HE2  GLN  25          2HE2      GLN  25  -3.227 -11.909 -11.909
  192   2HE2  GLN  25          1HE2      GLN  25  -2.240 -10.557 -10.557
  193    H    ALA  26           H        ALA  26   1.884  -9.691  -9.691
  194    HA   ALA  26           HA       ALA  26   4.037 -11.453 -11.453
  195   1HB   ALA  26          2HB       ALA  26   3.685  -8.925  -8.925
  196   2HB   ALA  26          1HB       ALA  26   5.212  -9.844  -9.844
  197   3HB   ALA  26          3HB       ALA  26   3.678 -10.609 -10.609
  198    H    ALA  27           H        ALA  27   4.086  -7.929  -7.929
  199    HA   ALA  27           HA       ALA  27   6.728  -7.640  -7.640
  200   1HB   ALA  27          2HB       ALA  27   4.088  -6.219  -6.219
  201   2HB   ALA  27          1HB       ALA  27   5.467  -5.597  -5.597
  202   3HB   ALA  27          3HB       ALA  27   5.544  -5.721  -5.721
  203    H    VAL  28           H        VAL  28   3.699  -7.669  -7.669
  204    HA   VAL  28           HA       VAL  28   4.253  -7.704  -7.704
  205    HB   VAL  28           HB       VAL  28   2.403  -8.852  -8.852
  206   1HG1  VAL  28          3HG1      VAL  28   3.147 -10.627 -10.627
  207   2HG1  VAL  28          2HG1      VAL  28   1.466 -10.548 -10.548
  208   3HG1  VAL  28          1HG1      VAL  28   2.714 -11.073 -11.073
  209   1HG2  VAL  28          1HG2      VAL  28   2.170  -7.045  -7.045
  210   2HG2  VAL  28          3HG2      VAL  28   0.797  -8.083  -8.083
  211   3HG2  VAL  28          2HG2      VAL  28   1.775  -8.415  -8.415
  212    H    SER  29           H        SER  29   4.412 -10.769 -10.769
  213    HA   SER  29           HA       SER  29   5.753 -12.298 -12.298
  214   1HB   SER  29          2HB       SER  29   5.125 -13.788 -13.788
  215   2HB   SER  29          1HB       SER  29   4.765 -12.470 -12.470
  216    HG   SER  29           HG       SER  29   6.958 -14.141 -14.141
  217    H    ASN  30           H        ASN  30   6.897 -10.640 -10.640
  218    HA   ASN  30           HA       ASN  30   9.687 -11.149 -11.149
  219   1HB   ASN  30          2HB       ASN  30   7.839  -9.300  -9.300
  220   2HB   ASN  30          1HB       ASN  30   9.473  -8.678  -8.678
  221   1HD2  ASN  30          2HD2      ASN  30   8.769 -11.548 -11.548
  222   2HD2  ASN  30          1HD2      ASN  30   7.519 -10.816 -10.816
  223    H    GLY  31           H        GLY  31   7.491  -9.359  -9.359
  224   1HA   GLY  31          2HA       GLY  31   7.981  -8.183  -8.183
  225   2HA   GLY  31          1HA       GLY  31   9.703  -8.325  -8.325
  226    H    ILE  32           H        ILE  32   8.484  -7.267  -7.267
  227    HA   ILE  32           HA       ILE  32   9.562  -4.727  -4.727
  228    HB   ILE  32           HB       ILE  32   7.113  -5.965  -5.965
  229   1HG1  ILE  32          2HG1      ILE  32   9.799  -5.198  -5.198
  230   2HG1  ILE  32          1HG1      ILE  32   9.371  -6.816  -6.816
  231   1HG2  ILE  32          3HG2      ILE  32   8.327  -3.262  -3.262
  232   2HG2  ILE  32          2HG2      ILE  32   7.104  -4.077  -4.077
  233   3HG2  ILE  32          1HG2      ILE  32   6.713  -3.543  -3.543
  234   1HD1  ILE  32          2HD1      ILE  32   7.362  -5.718  -5.718
  235   2HD1  ILE  32          1HD1      ILE  32   8.947  -5.800  -5.800
  236   3HD1  ILE  32          3HD1      ILE  32   8.219  -7.257  -7.257
  237    H    TYR  33           H        TYR  33   6.537  -5.750  -5.750
  238    HA   TYR  33           HA       TYR  33   6.017  -2.926  -2.926
  239   1HB   TYR  33          2HB       TYR  33   4.314  -5.395  -5.395
  240   2HB   TYR  33          1HB       TYR  33   3.749  -3.970  -3.970
  241    HD1  TYR  33          1HD       TYR  33   3.884  -1.693  -1.693
  242    HD2  TYR  33          2HD       TYR  33   4.215  -5.490  -5.490
  243    HE1  TYR  33          1HE       TYR  33   3.308  -0.618  -0.618
  244    HE2  TYR  33          2HE       TYR  33   3.628  -4.459  -4.459
  245    HH   TYR  33           HH       TYR  33   3.319  -2.511  -2.511
  246    H    ASP  34           H        ASP  34   7.995  -3.806  -3.806
  247    HA   ASP  34           HA       ASP  34   7.494  -5.501  -5.501
  248   1HB   ASP  34          2HB       ASP  34   9.094  -3.983  -3.983
  249   2HB   ASP  34          1HB       ASP  34   9.638  -4.370  -4.370
  250    H    ILE  35           H        ILE  35   6.123  -2.455  -2.455
  251    HA   ILE  35           HA       ILE  35   4.972  -1.813  -1.813
  252    HB   ILE  35           HB       ILE  35   5.643  -0.168  -0.168
  253   1HG1  ILE  35          2HG1      ILE  35   2.646  -0.078  -0.078
  254   2HG1  ILE  35          1HG1      ILE  35   3.766   0.222   0.222
  255   1HG2  ILE  35          2HG2      ILE  35   4.629  -1.858  -1.858
  256   2HG2  ILE  35          1HG2      ILE  35   3.192  -0.866  -0.866
  257   3HG2  ILE  35          3HG2      ILE  35   4.695  -0.124  -0.124
  258   1HD1  ILE  35          1HD1      ILE  35   4.876   1.964   1.964
  259   2HD1  ILE  35          3HD1      ILE  35   3.501   1.782   1.782
  260   3HD1  ILE  35          2HD1      ILE  35   3.252   2.368   2.368
  261    H    VAL  36           H        VAL  36   3.454  -3.348  -3.348
  262    HA   VAL  36           HA       VAL  36   1.464  -4.373  -4.373
  263    HB   VAL  36           HB       VAL  36   2.096  -5.222  -5.222
  264   1HG1  VAL  36          2HG1      VAL  36   0.570  -6.552  -6.552
  265   2HG1  VAL  36          1HG1      VAL  36   0.981  -7.332  -7.332
  266   3HG1  VAL  36          3HG1      VAL  36  -0.112  -5.949  -5.949
  267   1HG2  VAL  36          2HG2      VAL  36   3.550  -5.575  -5.575
  268   2HG2  VAL  36          1HG2      VAL  36   3.986  -6.107  -6.107
  269   3HG2  VAL  36          3HG2      VAL  36   2.985  -7.135  -7.135
  270    H    GLY  37           H        GLY  37  -0.746  -4.003  -4.003
  271   1HA   GLY  37          2HA       GLY  37  -1.523  -2.214  -2.214
  272   2HA   GLY  37          1HA       GLY  37  -2.207  -2.048  -2.048
  273    H    ASP  38           H        ASP  38  -4.354  -2.606  -2.606
  274    HA   ASP  38           HA       ASP  38  -4.899  -5.164  -5.164
  275   1HB   ASP  38          2HB       ASP  38  -6.184  -2.533  -2.533
  276   2HB   ASP  38          1HB       ASP  38  -7.309  -3.884  -3.884
  277    H    CYS  39           H        CYS  39  -4.358  -4.198  -4.198
  278    HA   CYS  39           HA       CYS  39  -6.568  -5.219  -5.219
  279   1HB   CYS  39          2HB       CYS  39  -4.885  -4.970  -4.970
  280   2HB   CYS  39          1HB       CYS  39  -4.963  -3.589  -3.589
  281    H    GLY  40           H        GLY  40  -3.482  -6.715  -6.715
  282   1HA   GLY  40          2HA       GLY  40  -2.748  -8.948  -8.948
  283   2HA   GLY  40          1HA       GLY  40  -4.390  -9.324  -9.324
  284    H    GLY  41           H        GLY  41  -3.707  -7.522  -7.522
  285   1HA   GLY  41          2HA       GLY  41  -3.877  -8.142  -8.142
  286   2HA   GLY  41          1HA       GLY  41  -4.067  -9.824  -9.824
  287    H    SER  42           H        SER  42  -5.988  -7.116  -7.116
  288    HA   SER  42           HA       SER  42  -8.328  -8.108  -8.108
  289   1HB   SER  42          2HB       SER  42  -8.070  -9.165  -9.165
  290   2HB   SER  42          1HB       SER  42  -8.377  -7.563  -7.563
  291    HG   SER  42           HG       SER  42 -10.093  -8.754  -8.754
  292    H    ALA  43           H        ALA  43  -6.519  -5.477  -5.477
  293    HA   ALA  43           HA       ALA  43  -6.886  -3.199  -3.199
  294   1HB   ALA  43          3HB       ALA  43  -8.643  -4.471  -4.471
  295   2HB   ALA  43          2HB       ALA  43  -9.779  -3.677  -3.677
  296   3HB   ALA  43          1HB       ALA  43  -8.642  -2.717  -2.717
  297    H    SER  44           H        SER  44  -6.775  -3.672  -3.672
  298    HA   SER  44           HA       SER  44  -8.861  -1.925  -1.925
  299   1HB   SER  44          2HB       SER  44  -7.744  -3.880  -3.880
  300   2HB   SER  44          1HB       SER  44  -9.433  -3.561  -3.561
  301    HG   SER  44           HG       SER  44  -9.318  -5.431  -5.431
  302    H    CYS  45           H        CYS  45  -6.071  -1.614  -1.614
  303    HA   CYS  45           HA       CYS  45  -4.580  -1.020  -1.020
  304   1HB   CYS  45          2HB       CYS  45  -2.590  -1.072  -1.072
  305   2HB   CYS  45          1HB       CYS  45  -3.457  -2.584  -2.584
  306    H    ALA  46           H        ALA  46  -3.649   0.909   0.909
  307    HA   ALA  46           HA       ALA  46  -4.213   3.178   3.178
  308   1HB   ALA  46          1HB       ALA  46  -4.308   2.764   2.764
  309   2HB   ALA  46          3HB       ALA  46  -3.573   4.286   4.286
  310   3HB   ALA  46          2HB       ALA  46  -5.221   3.892   3.892
  311    H    THR  47           H        THR  47  -1.848   1.068   1.068
  312    HA   THR  47           HA       THR  47   0.346   3.098   3.098
  313    HB   THR  47           HB       THR  47   1.623   1.401   1.401
  314    HG1  THR  47          1HG       THR  47  -0.292  -0.576  -0.576
  315   1HG2  THR  47          3HG2      THR  47  -0.877   2.095   2.095
  316   2HG2  THR  47          2HG2      THR  47  -0.823   0.341   0.341
  317   3HG2  THR  47          1HG2      THR  47   0.434   1.339   1.339
  318    H    CYS  48           H        CYS  48  -0.949   0.386   0.386
  319    HA   CYS  48           HA       CYS  48   1.376   0.334   0.334
  320   1HB   CYS  48          2HB       CYS  48  -1.197  -0.983  -0.983
  321   2HB   CYS  48          1HB       CYS  48   0.432  -1.573  -1.573
  322    H    HIS  49           H        HIS  49  -0.147   2.901   2.901
  323    HA   HIS  49           HA       HIS  49  -1.885   3.330   3.330
  324   1HB   HIS  49          2HB       HIS  49  -1.220   4.829   4.829
  325   2HB   HIS  49          1HB       HIS  49   0.196   5.263   5.263
  326    HD1  HIS  49          1HD       HIS  49  -1.979   7.385   7.385
  327    HD2  HIS  49          2HD       HIS  49  -1.908   5.212   5.212
  328    HE1  HIS  49          1HE       HIS  49  -3.288   8.735   8.735
  329    H    VAL  50           H        VAL  50  -1.451   3.496   3.496
  330    HA   VAL  50           HA       VAL  50   1.340   3.993   3.993
  331    HB   VAL  50           HB       VAL  50   1.253   2.010   2.010
  332   1HG1  VAL  50          1HG1      VAL  50   1.958   2.059   2.059
  333   2HG1  VAL  50          3HG1      VAL  50   0.601   0.946   0.946
  334   3HG1  VAL  50          2HG1      VAL  50   1.944   0.554   0.554
  335   1HG2  VAL  50          1HG2      VAL  50  -1.324   2.092   2.092
  336   2HG2  VAL  50          3HG2      VAL  50  -0.570   0.491   0.491
  337   3HG2  VAL  50          2HG2      VAL  50  -1.233   1.200   1.200
  338    H    TYR  51           H        TYR  51   1.464   4.459   4.459
  339    HA   TYR  51           HA       TYR  51  -1.143   5.207   5.207
  340   1HB   TYR  51          2HB       TYR  51   1.459   6.640   6.640
  341   2HB   TYR  51          1HB       TYR  51   0.411   7.063   7.063
  342    HD1  TYR  51          1HD       TYR  51   0.411   6.589   6.589
  343    HD2  TYR  51          2HD       TYR  51  -1.536   8.305   8.305
  344    HE1  TYR  51          1HE       TYR  51  -1.159   7.791   7.791
  345    HE2  TYR  51          2HE       TYR  51  -3.076   9.504   9.504
  346    HH   TYR  51           HH       TYR  51  -3.256   8.866   8.866
  347    H    VAL  52           H        VAL  52  -1.434   4.468   4.468
  348    HA   VAL  52           HA       VAL  52   0.735   2.787   2.787
  349    HB   VAL  52           HB       VAL  52  -2.068   3.276   3.276
  350   1HG1  VAL  52          2HG1      VAL  52  -0.357   2.171   2.171
  351   2HG1  VAL  52          1HG1      VAL  52  -0.213   0.885   0.885
  352   3HG1  VAL  52          3HG1      VAL  52  -1.752   1.156   1.156
  353   1HG2  VAL  52          3HG2      VAL  52  -1.185   2.065   2.065
  354   2HG2  VAL  52          2HG2      VAL  52  -2.821   2.111   2.111
  355   3HG2  VAL  52          1HG2      VAL  52  -1.738   0.781   0.781
  356    H    ASN  53           H        ASN  53   1.482   3.227   3.227
  357    HA   ASN  53           HA       ASN  53   1.982   5.989   5.989
  358   1HB   ASN  53          2HB       ASN  53   2.421   5.011   5.011
  359   2HB   ASN  53          1HB       ASN  53   3.326   4.273   4.273
  360   1HD2  ASN  53          2HD2      ASN  53   1.768   1.145   1.145
  361   2HD2  ASN  53          1HD2      ASN  53   2.903   2.078   2.078
  362    H    GLU  54           H        GLU  54   1.120   6.234   6.234
  363    HA   GLU  54           HA       GLU  54  -1.779   6.772   6.772
  364   1HB   GLU  54          2HB       GLU  54  -1.468   8.339   8.339
  365   2HB   GLU  54          1HB       GLU  54  -0.218   8.601   8.601
  366   1HG   GLU  54          2HG       GLU  54   0.698   6.585   6.585
  367   2HG   GLU  54          1HG       GLU  54   0.134   7.969   7.969
  368    H    ALA  55           H        ALA  55   0.231   4.482   4.482
  369    HA   ALA  55           HA       ALA  55  -1.667   3.953   3.953
  370   1HB   ALA  55          1HB       ALA  55   1.165   3.326   3.326
  371   2HB   ALA  55          3HB       ALA  55   0.324   2.226   2.226
  372   3HB   ALA  55          2HB       ALA  55   0.488   3.932   3.932
  373    H    PHE  56           H        PHE  56  -0.283   2.238   2.238
  374    HA   PHE  56           HA       PHE  56  -1.796  -0.194  -0.194
  375   1HB   PHE  56          2HB       PHE  56   0.028   0.705   0.705
  376   2HB   PHE  56          1HB       PHE  56  -0.720  -0.889  -0.889
  377    HD1  PHE  56          1HD       PHE  56   1.502   1.396   1.396
  378    HD2  PHE  56          2HD       PHE  56   0.139  -2.689  -2.689
  379    HE1  PHE  56          1HE       PHE  56   3.195   0.653   0.653
  380    HE2  PHE  56          2HE       PHE  56   1.813  -3.373  -3.373
  381    HZ   PHE  56           HZ       PHE  56   3.353  -1.731  -1.731
  382    H    THR  57           H        THR  57  -2.798   2.678   2.678
  383    HA   THR  57           HA       THR  57  -4.410   1.636   1.636
  384    HB   THR  57           HB       THR  57  -5.069   3.914   3.914
  385    HG1  THR  57          1HG       THR  57  -5.280   5.243   5.243
  386   1HG2  THR  57          3HG2      THR  57  -2.559   3.419   3.419
  387   2HG2  THR  57          2HG2      THR  57  -2.418   4.185   4.185
  388   3HG2  THR  57          1HG2      THR  57  -3.020   5.109   5.109
  389    H    ASP  58           H        ASP  58  -5.154   3.046   3.046
  390    HA   ASP  58           HA       ASP  58  -7.946   2.446   2.446
  391   1HB   ASP  58          2HB       ASP  58  -7.751   3.127   3.127
  392   2HB   ASP  58          1HB       ASP  58  -6.466   3.993   3.993
  393    H    LYS  59           H        LYS  59  -5.254   0.401   0.401
  394    HA   LYS  59           HA       LYS  59  -6.336  -1.686  -1.686
  395   1HB   LYS  59          2HB       LYS  59  -4.225  -1.885  -1.885
  396   2HB   LYS  59          1HB       LYS  59  -4.313  -2.791  -2.791
  397   1HG   LYS  59          2HG       LYS  59  -3.670   0.152   0.152
  398   2HG   LYS  59          1HG       LYS  59  -2.631  -1.110  -1.110
  399   1HD   LYS  59          2HD       LYS  59  -5.275  -0.284  -0.284
  400   2HD   LYS  59          1HD       LYS  59  -3.708   0.332   0.332
  401   1HE   LYS  59          2HE       LYS  59  -3.480  -1.492  -1.492
  402   2HE   LYS  59          1HE       LYS  59  -3.499  -2.514  -2.514
  403   1HZ   LYS  59          1HZ       LYS  59  -6.025  -1.384  -1.384
  404   2HZ   LYS  59          3HZ       LYS  59  -5.382  -2.734  -2.734
  405   3HZ   LYS  59          2HZ       LYS  59  -5.750  -2.825  -2.825
  406    H    VAL  60           H        VAL  60  -5.510  -1.403  -1.403
  407    HA   VAL  60           HA       VAL  60  -6.951  -3.779  -3.779
  408    HB   VAL  60           HB       VAL  60  -4.686  -2.350  -2.350
  409   1HG1  VAL  60          2HG1      VAL  60  -6.721  -1.638  -1.638
  410   2HG1  VAL  60          1HG1      VAL  60  -4.986  -1.627  -1.627
  411   3HG1  VAL  60          3HG1      VAL  60  -5.657  -0.579  -0.579
  412   1HG2  VAL  60          2HG2      VAL  60  -5.955  -4.700  -4.700
  413   2HG2  VAL  60          1HG2      VAL  60  -4.251  -4.270  -4.270
  414   3HG2  VAL  60          3HG2      VAL  60  -5.337  -3.890  -3.890
  415    HA   PRO  61           HA       PRO  61 -10.715  -1.868  -1.868
  416   1HB   PRO  61          2HB       PRO  61 -11.234  -3.157  -3.157
  417   2HB   PRO  61          1HB       PRO  61 -11.468  -3.886  -3.886
  418   1HG   PRO  61          2HG       PRO  61  -9.168  -4.170  -4.170
  419   2HG   PRO  61          1HG       PRO  61  -9.995  -5.418  -5.418
  420   1HD   PRO  61          2HD       PRO  61  -7.638  -4.404  -4.404
  421   2HD   PRO  61          1HD       PRO  61  -8.906  -4.829  -4.829
  422    H    ALA  62           H        ALA  62 -11.664  -0.495  -0.495
  423    HA   ALA  62           HA       ALA  62  -9.767   1.281   1.281
  424   1HB   ALA  62          2HB       ALA  62 -12.260   1.352   1.352
  425   2HB   ALA  62          1HB       ALA  62 -12.613   1.717   1.717
  426   3HB   ALA  62          3HB       ALA  62 -11.460   2.711   2.711
  427    H    ALA  63           H        ALA  63 -11.000   2.164   2.164
  428    HA   ALA  63           HA       ALA  63 -11.001  -0.195  -0.195
  429   1HB   ALA  63          3HB       ALA  63 -10.326   2.739   2.739
  430   2HB   ALA  63          2HB       ALA  63 -10.309   1.573   1.573
  431   3HB   ALA  63          1HB       ALA  63  -9.200   1.385   1.385
  432    H    ASN  64           H        ASN  64 -12.465  -0.006  -0.006
  433    HA   ASN  64           HA       ASN  64 -15.075   1.204   1.204
  434   1HB   ASN  64          2HB       ASN  64 -15.947  -0.373  -0.373
  435   2HB   ASN  64          1HB       ASN  64 -14.903  -1.208  -1.208
  436   1HD2  ASN  64          2HD2      ASN  64 -13.617  -2.445  -2.445
  437   2HD2  ASN  64          1HD2      ASN  64 -14.876  -2.734  -2.734
  438    H    GLU  65           H        GLU  65 -16.149   1.212   1.212
  439    HA   GLU  65           HA       GLU  65 -15.320   3.838   3.838
  440   1HB   GLU  65          2HB       GLU  65 -17.177   3.569   3.569
  441   2HB   GLU  65          1HB       GLU  65 -17.621   2.675   2.675
  442   1HG   GLU  65          2HG       GLU  65 -16.436   0.670   0.670
  443   2HG   GLU  65          1HG       GLU  65 -16.835   1.635   1.635
  444    H    ARG  66           H        ARG  66 -14.597   0.516   0.516
  445    HA   ARG  66           HA       ARG  66 -13.510   1.043   1.043
  446   1HB   ARG  66          2HB       ARG  66 -13.824  -1.130  -1.130
  447   2HB   ARG  66          1HB       ARG  66 -12.109  -1.037  -1.037
  448   1HG   ARG  66          2HG       ARG  66 -12.611  -1.102  -1.102
  449   2HG   ARG  66          1HG       ARG  66 -14.348  -1.057  -1.057
  450   1HD   ARG  66          2HD       ARG  66 -12.455  -3.264  -3.264
  451   2HD   ARG  66          1HD       ARG  66 -13.605  -3.380  -3.380
  452    HE   ARG  66           HE       ARG  66 -15.005  -2.476  -2.476
  453   1HH1  ARG  66          1HH2      ARG  66 -12.959  -5.138  -5.138
  454   2HH1  ARG  66          2HH2      ARG  66 -14.123  -6.323  -6.323
  455   1HH2  ARG  66          1HH1      ARG  66 -16.727  -4.047  -4.047
  456   2HH2  ARG  66          2HH1      ARG  66 -16.256  -5.704  -5.704
  457    H    GLU  67           H        GLU  67 -11.956   0.688   0.688
  458    HA   GLU  67           HA       GLU  67  -9.329   1.420   1.420
  459   1HB   GLU  67          2HB       GLU  67  -9.623   0.008   0.008
  460   2HB   GLU  67          1HB       GLU  67 -10.719   1.155   1.155
  461   1HG   GLU  67          2HG       GLU  67  -8.978   2.644   2.644
  462   2HG   GLU  67          1HG       GLU  67  -7.881   1.930   1.930
  463    H    ILE  68           H        ILE  68 -11.840   3.450   3.450
  464    HA   ILE  68           HA       ILE  68 -10.620   5.700   5.700
  465    HB   ILE  68           HB       ILE  68 -13.230   4.905   4.905
  466   1HG1  ILE  68          2HG1      ILE  68 -14.036   6.091   6.091
  467   2HG1  ILE  68          1HG1      ILE  68 -12.547   7.027   7.027
  468   1HG2  ILE  68          3HG2      ILE  68 -12.631   6.815   6.815
  469   2HG2  ILE  68          2HG2      ILE  68 -12.538   7.852   7.852
  470   3HG2  ILE  68          1HG2      ILE  68 -14.068   7.090   7.090
  471   1HD1  ILE  68          2HD1      ILE  68 -12.005   4.169   4.169
  472   2HD1  ILE  68          1HD1      ILE  68 -13.119   4.628   4.628
  473   3HD1  ILE  68          3HD1      ILE  68 -11.542   5.408   5.408
  474    H    GLY  69           H        GLY  69 -11.461   4.871   4.871
  475   1HA   GLY  69          2HA       GLY  69 -10.031   7.262   7.262
  476   2HA   GLY  69          1HA       GLY  69 -10.845   6.081   6.081
  477    H    MET  70           H        MET  70  -9.674   3.744   3.744
  478    HA   MET  70           HA       MET  70  -7.166   3.805   3.805
  479   1HB   MET  70          2HB       MET  70  -6.839   1.573   1.573
  480   2HB   MET  70          1HB       MET  70  -8.308   1.704   1.704
  481   1HG   MET  70          2HG       MET  70  -9.354   2.574   2.574
  482   2HG   MET  70          1HG       MET  70  -7.932   1.854   1.854
  483   1HE   MET  70          1HE       MET  70  -7.945   0.079   0.079
  484   2HE   MET  70          3HE       MET  70  -7.279  -0.864  -0.864
  485   3HE   MET  70          2HE       MET  70  -8.632  -1.489  -1.489
  486    H    LEU  71           H        LEU  71  -7.899   3.794   3.794
  487    HA   LEU  71           HA       LEU  71  -5.176   3.868   3.868
  488   1HB   LEU  71          2HB       LEU  71  -7.245   3.307   3.307
  489   2HB   LEU  71          1HB       LEU  71  -7.723   5.003   5.003
  490    HG   LEU  71           HG       LEU  71  -5.874   3.752   3.752
  491   1HD1  LEU  71          3HD1      LEU  71  -7.951   5.585   5.585
  492   2HD1  LEU  71          2HD1      LEU  71  -6.531   6.598   6.598
  493   3HD1  LEU  71          1HD1      LEU  71  -6.895   5.253   5.253
  494   1HD2  LEU  71          1HD2      LEU  71  -4.249   4.850   4.850
  495   2HD2  LEU  71          3HD2      LEU  71  -4.137   5.424   5.424
  496   3HD2  LEU  71          2HD2      LEU  71  -4.980   6.386   6.386
  497    H    GLU  72           H        GLU  72  -7.531   6.350   6.350
  498    HA   GLU  72           HA       GLU  72  -5.652   8.554   8.554
  499   1HB   GLU  72          2HB       GLU  72  -7.964   8.970   8.970
  500   2HB   GLU  72          1HB       GLU  72  -8.437   8.234   8.234
  501   1HG   GLU  72          2HG       GLU  72  -8.038  10.131  10.131
  502   2HG   GLU  72          1HG       GLU  72  -6.580  10.524  10.524
  503    H    CYS  73           H        CYS  73  -4.943   6.408   6.408
  504    HA   CYS  73           HA       CYS  73  -5.282   7.147   7.147
  505   1HB   CYS  73          2HB       CYS  73  -2.542   6.563   6.563
  506   2HB   CYS  73          1HB       CYS  73  -3.795   5.427   5.427
  507    HG   CYS  73           HG       CYS  73  -2.471   5.856   5.856
  508    H    VAL  74           H        VAL  74  -2.189   7.825   7.825
  509    HA   VAL  74           HA       VAL  74  -1.873  10.370  10.370
  510    HB   VAL  74           HB       VAL  74   0.361  10.203  10.203
  511   1HG1  VAL  74          3HG1      VAL  74  -0.684   8.140   8.140
  512   2HG1  VAL  74          2HG1      VAL  74  -0.268   7.281   7.281
  513   3HG1  VAL  74          1HG1      VAL  74   0.986   8.118   8.118
  514   1HG2  VAL  74          1HG2      VAL  74  -0.791   8.442   8.442
  515   2HG2  VAL  74          3HG2      VAL  74  -0.092  10.048  10.048
  516   3HG2  VAL  74          2HG2      VAL  74   0.935   8.686   8.686
  517    H    THR  75           H        THR  75  -2.441  12.336  12.336
  518    HA   THR  75           HA       THR  75  -3.934  12.764  12.764
  519    HB   THR  75           HB       THR  75  -3.486  14.357  14.357
  520    HG1  THR  75          1HG       THR  75  -4.200  15.631  15.631
  521   1HG2  THR  75          1HG2      THR  75  -0.780  13.840  13.840
  522   2HG2  THR  75          3HG2      THR  75  -1.093  15.562  15.562
  523   3HG2  THR  75          2HG2      THR  75  -1.364  14.816  14.816
  524    H    ALA  76           H        ALA  76  -2.916  11.390  11.390
  525    HA   ALA  76           HA       ALA  76  -0.356  12.453  12.453
  526   1HB   ALA  76          3HB       ALA  76  -0.525  10.049  10.049
  527   2HB   ALA  76          2HB       ALA  76  -1.928   9.907   9.907
  528   3HB   ALA  76          1HB       ALA  76  -0.345  10.280  10.280
  529    H    GLU  77           H        GLU  77  -2.544  14.121  14.121
  530    HA   GLU  77           HA       GLU  77  -3.976  15.008  15.008
  531   1HB   GLU  77          2HB       GLU  77  -2.649  15.390  15.390
  532   2HB   GLU  77          1HB       GLU  77  -1.684  15.673  15.673
  533   1HG   GLU  77          2HG       GLU  77  -0.576  13.559  13.559
  534   2HG   GLU  77          1HG       GLU  77  -1.705  13.023  13.023
  535    H    LEU  78           H        LEU  78  -5.138  12.760  12.760
  536    HA   LEU  78           HA       LEU  78  -5.351  10.520  10.520
  537   1HB   LEU  78          2HB       LEU  78  -7.074  12.336  12.336
  538   2HB   LEU  78          1HB       LEU  78  -7.900  11.816  11.816
  539    HG   LEU  78           HG       LEU  78  -7.538   9.470   9.470
  540   1HD1  LEU  78          3HD1      LEU  78  -5.461  10.517  10.517
  541   2HD1  LEU  78          2HD1      LEU  78  -6.620   9.845   9.845
  542   3HD1  LEU  78          1HD1      LEU  78  -5.942   8.825   8.825
  543   1HD2  LEU  78          1HD2      LEU  78  -8.646  11.138  11.138
  544   2HD2  LEU  78          3HD2      LEU  78  -9.546  10.487  10.487
  545   3HD2  LEU  78          2HD2      LEU  78  -8.877   9.397   9.397
  546    H    LYS  79           H        LYS  79  -5.988   9.851   9.851
  547    HA   LYS  79           HA       LYS  79  -6.636  11.941  11.941
  548   1HB   LYS  79          2HB       LYS  79  -4.520   9.898   9.898
  549   2HB   LYS  79          1HB       LYS  79  -4.760  11.485  11.485
  550   1HG   LYS  79          2HG       LYS  79  -3.938  12.607  12.607
  551   2HG   LYS  79          1HG       LYS  79  -3.918  11.115  11.115
  552   1HD   LYS  79          2HD       LYS  79  -1.838  12.212  12.212
  553   2HD   LYS  79          1HD       LYS  79  -1.801  10.754  10.754
  554   1HE   LYS  79          2HE       LYS  79  -2.546   9.389   9.389
  555   2HE   LYS  79          1HE       LYS  79  -3.012  10.802  10.802
  556   1HZ   LYS  79          2HZ       LYS  79  -0.245  10.298  10.298
  557   2HZ   LYS  79          1HZ       LYS  79  -0.789   9.858   9.858
  558   3HZ   LYS  79          3HZ       LYS  79  -0.750  11.493  11.493
  559    HA   PRO  80           HA       PRO  80  -8.900   8.654   8.654
  560   1HB   PRO  80          2HB       PRO  80  -8.068   8.387   8.387
  561   2HB   PRO  80          1HB       PRO  80  -8.989   9.787   9.787
  562   1HG   PRO  80          2HG       PRO  80  -6.125   9.553   9.553
  563   2HG   PRO  80          1HG       PRO  80  -7.188  10.963  10.963
  564   1HD   PRO  80          2HD       PRO  80  -5.311  10.371  10.371
  565   2HD   PRO  80          1HD       PRO  80  -6.580  11.610  11.610
  566    H    ASN  81           H        ASN  81  -5.421   8.174   8.174
  567    HA   ASN  81           HA       ASN  81  -5.892   5.236   5.236
  568   1HB   ASN  81          2HB       ASN  81  -3.532   5.237   5.237
  569   2HB   ASN  81          1HB       ASN  81  -4.582   6.275   6.275
  570   1HD2  ASN  81          2HD2      ASN  81  -1.534   8.246   8.246
  571   2HD2  ASN  81          1HD2      ASN  81  -1.892   6.842   6.842
  572    H    SER  82           H        SER  82  -5.386   7.372   7.372
  573    HA   SER  82           HA       SER  82  -3.184   6.281   6.281
  574   1HB   SER  82          2HB       SER  82  -5.734   7.232   7.232
  575   2HB   SER  82          1HB       SER  82  -4.085   7.648   7.648
  576    HG   SER  82           HG       SER  82  -4.240   8.569   8.569
  577    H    ARG  83           H        ARG  83  -3.089   4.372   4.372
  578    HA   ARG  83           HA       ARG  83  -5.624   3.107   3.107
  579   1HB   ARG  83          2HB       ARG  83  -3.942   1.108   1.108
  580   2HB   ARG  83          1HB       ARG  83  -5.655   1.394   1.394
  581   1HG   ARG  83          2HG       ARG  83  -3.740   3.296   3.296
  582   2HG   ARG  83          1HG       ARG  83  -3.973   1.724   1.724
  583   1HD   ARG  83          2HD       ARG  83  -5.822   4.037   4.037
  584   2HD   ARG  83          1HD       ARG  83  -5.714   2.719   2.719
  585    HE   ARG  83           HE       ARG  83  -6.896   1.307   1.307
  586   1HH1  ARG  83          1HH1      ARG  83  -7.317   2.753   2.753
  587   2HH1  ARG  83          2HH1      ARG  83  -8.730   3.716   3.716
  588   1HH2  ARG  83          1HH2      ARG  83  -8.627   3.413   3.413
  589   2HH2  ARG  83          2HH2      ARG  83  -9.474   4.088   4.088
  590    H    LEU  84           H        LEU  84  -5.149   1.077   1.077
  591    HA   LEU  84           HA       LEU  84  -2.824   1.564   1.564
  592   1HB   LEU  84          2HB       LEU  84  -5.503   0.438   0.438
  593   2HB   LEU  84          1HB       LEU  84  -4.333  -0.689  -0.689
  594    HG   LEU  84           HG       LEU  84  -4.453   2.231   2.231
  595   1HD1  LEU  84          1HD1      LEU  84  -6.556   0.871   0.871
  596   2HD1  LEU  84          3HD1      LEU  84  -5.598  -0.094  -0.094
  597   3HD1  LEU  84          2HD1      LEU  84  -5.845   1.644   1.644
  598   1HD2  LEU  84          3HD2      LEU  84  -2.782  -0.080  -0.080
  599   2HD2  LEU  84          2HD2      LEU  84  -2.478   1.636   1.636
  600   3HD2  LEU  84          1HD2      LEU  84  -3.436   0.719   0.719
  601    H    SER  85           H        SER  85  -1.174  -0.083  -0.083
  602    HA   SER  85           HA       SER  85  -0.243  -1.465  -1.465
  603   1HB   SER  85          2HB       SER  85  -0.073  -2.565  -2.565
  604   2HB   SER  85          1HB       SER  85   1.115  -2.672  -2.672
  605    HG   SER  85           HG       SER  85   1.575  -0.554  -0.554
  606    H    CYS  86           H        CYS  86  -2.832  -2.430  -2.430
  607    HA   CYS  86           HA       CYS  86  -2.960  -5.124  -5.124
  608   1HB   CYS  86          2HB       CYS  86  -4.552  -4.172  -4.172
  609   2HB   CYS  86          1HB       CYS  86  -4.017  -5.800  -5.800
  610    H    GLN  87           H        GLN  87  -3.852  -2.937  -2.937
  611    HA   GLN  87           HA       GLN  87  -6.753  -3.515  -3.515
  612   1HB   GLN  87          2HB       GLN  87  -5.366  -0.941  -0.941
  613   2HB   GLN  87          1HB       GLN  87  -7.102  -1.207  -1.207
  614   1HG   GLN  87          2HG       GLN  87  -5.032  -1.168  -1.168
  615   2HG   GLN  87          1HG       GLN  87  -6.440  -0.124  -0.124
  616   1HE2  GLN  87          2HE2      GLN  87  -8.453  -3.327  -3.327
  617   2HE2  GLN  87          1HE2      GLN  87  -8.108  -2.465  -2.465
  618    H    ILE  88           H        ILE  88  -3.894  -2.618  -2.618
  619    HA   ILE  88           HA       ILE  88  -5.285  -3.073  -3.073
  620    HB   ILE  88           HB       ILE  88  -2.336  -3.019  -3.019
  621   1HG1  ILE  88          2HG1      ILE  88  -3.745  -1.068  -1.068
  622   2HG1  ILE  88          1HG1      ILE  88  -2.312  -0.677  -0.677
  623   1HG2  ILE  88          3HG2      ILE  88  -4.106  -2.960  -2.960
  624   2HG2  ILE  88          2HG2      ILE  88  -2.924  -1.651  -1.651
  625   3HG2  ILE  88          1HG2      ILE  88  -2.383  -3.327  -3.327
  626   1HD1  ILE  88          1HD1      ILE  88  -4.681  -0.943  -0.943
  627   2HD1  ILE  88          3HD1      ILE  88  -4.890   0.287   0.287
  628   3HD1  ILE  88          2HD1      ILE  88  -3.533   0.393   0.393
  629    H    ILE  89           H        ILE  89  -5.000  -4.818  -4.818
  630    HA   ILE  89           HA       ILE  89  -3.825  -7.284  -7.284
  631    HB   ILE  89           HB       ILE  89  -6.168  -6.715  -6.715
  632   1HG1  ILE  89          2HG1      ILE  89  -6.765  -6.683  -6.683
  633   2HG1  ILE  89          1HG1      ILE  89  -7.248  -8.278  -8.278
  634   1HG2  ILE  89          1HG2      ILE  89  -4.792  -8.568  -8.568
  635   2HG2  ILE  89          3HG2      ILE  89  -4.967  -9.436  -9.436
  636   3HG2  ILE  89          2HG2      ILE  89  -6.386  -9.097  -9.097
  637   1HD1  ILE  89          2HD1      ILE  89  -4.939  -9.086  -9.086
  638   2HD1  ILE  89          1HD1      ILE  89  -4.822  -7.549  -7.549
  639   3HD1  ILE  89          3HD1      ILE  89  -6.110  -8.686  -8.686
  640    H    MET  90           H        MET  90  -2.553  -8.613  -8.613
  641    HA   MET  90           HA       MET  90  -1.531  -7.152  -7.152
  642   1HB   MET  90          2HB       MET  90  -0.349  -8.412  -8.412
  643   2HB   MET  90          1HB       MET  90   0.133  -9.323  -9.323
  644   1HG   MET  90          2HG       MET  90   1.624  -7.337  -7.337
  645   2HG   MET  90          1HG       MET  90   1.210  -7.461  -7.461
  646   1HE   MET  90          1HE       MET  90   0.328  -6.227  -6.227
  647   2HE   MET  90          3HE       MET  90  -1.243  -5.474  -5.474
  648   3HE   MET  90          2HE       MET  90   0.206  -4.478  -4.478
  649    H    THR  91           H        THR  91  -2.491  -7.960  -7.960
  650    HA   THR  91           HA       THR  91  -3.140 -10.871 -10.871
  651    HB   THR  91           HB       THR  91  -4.159  -9.750  -9.750
  652    HG1  THR  91          1HG       THR  91  -4.977  -7.663  -7.663
  653   1HG2  THR  91          1HG2      THR  91  -5.333  -9.590  -9.590
  654   2HG2  THR  91          3HG2      THR  91  -6.257  -9.462  -9.462
  655   3HG2  THR  91          2HG2      THR  91  -5.439 -10.971 -10.971
  656    HA   PRO  92           HA       PRO  92   0.047 -11.692 -11.692
  657   1HB   PRO  92          2HB       PRO  92  -1.180 -13.222 -13.222
  658   2HB   PRO  92          1HB       PRO  92  -0.812 -13.814 -13.814
  659   1HG   PRO  92          2HG       PRO  92  -3.391 -12.889 -12.889
  660   2HG   PRO  92          1HG       PRO  92  -3.065 -14.168 -14.168
  661   1HD   PRO  92          2HD       PRO  92  -4.015 -11.666 -11.666
  662   2HD   PRO  92          1HD       PRO  92  -3.143 -12.732 -12.732
  663    H    GLU  93           H        GLU  93  -2.559  -9.750  -9.750
  664    HA   GLU  93           HA       GLU  93  -1.342  -9.117  -9.117
  665   1HB   GLU  93          2HB       GLU  93  -3.646  -7.983  -7.983
  666   2HB   GLU  93          1HB       GLU  93  -3.624  -9.745  -9.745
  667   1HG   GLU  93          2HG       GLU  93  -4.648  -9.838  -9.838
  668   2HG   GLU  93          1HG       GLU  93  -3.884  -8.353  -8.353
  669    H    LEU  94           H        LEU  94  -2.274  -7.800  -7.800
  670    HA   LEU  94           HA       LEU  94  -1.499  -5.043  -5.043
  671   1HB   LEU  94          2HB       LEU  94  -2.477  -6.058  -6.058
  672   2HB   LEU  94          1HB       LEU  94  -2.582  -4.424  -4.424
  673    HG   LEU  94           HG       LEU  94  -4.130  -6.871  -6.871
  674   1HD1  LEU  94          3HD1      LEU  94  -4.849  -4.051  -4.051
  675   2HD1  LEU  94          2HD1      LEU  94  -6.021  -5.246  -5.246
  676   3HD1  LEU  94          1HD1      LEU  94  -5.113  -5.525  -5.525
  677   1HD2  LEU  94          1HD2      LEU  94  -3.105  -5.657  -5.657
  678   2HD2  LEU  94          3HD2      LEU  94  -4.869  -5.735  -5.735
  679   3HD2  LEU  94          2HD2      LEU  94  -4.049  -4.248  -4.248
  680    H    ASP  95           H        ASP  95   0.672  -6.565  -6.565
  681    HA   ASP  95           HA       ASP  95   2.031  -6.395  -6.395
  682   1HB   ASP  95          2HB       ASP  95   3.809  -7.654  -7.654
  683   2HB   ASP  95          1HB       ASP  95   2.563  -8.502  -8.502
  684    H    GLY  96           H        GLY  96   3.994  -5.360  -5.360
  685   1HA   GLY  96          2HA       GLY  96   5.896  -4.027  -4.027
  686   2HA   GLY  96          1HA       GLY  96   4.908  -3.567  -3.567
  687    H    ILE  97           H        ILE  97   3.389  -3.732  -3.732
  688    HA   ILE  97           HA       ILE  97   2.600  -0.968  -0.968
  689    HB   ILE  97           HB       ILE  97   1.103  -2.729  -2.729
  690   1HG1  ILE  97          2HG1      ILE  97   1.095  -0.277  -0.277
  691   2HG1  ILE  97          1HG1      ILE  97   0.022  -1.488  -1.488
  692   1HG2  ILE  97          1HG2      ILE  97   3.357  -3.352  -3.352
  693   2HG2  ILE  97          3HG2      ILE  97   1.838  -3.279  -3.279
  694   3HG2  ILE  97          2HG2      ILE  97   1.996  -4.363  -4.363
  695   1HD1  ILE  97          3HD1      ILE  97   2.631  -1.520  -1.520
  696   2HD1  ILE  97          2HD1      ILE  97   1.884   0.071   0.071
  697   3HD1  ILE  97          1HD1      ILE  97   1.032  -1.340  -1.340
  698    H    VAL  98           H        VAL  98   3.721   0.687   0.687
  699    HA   VAL  98           HA       VAL  98   5.886   0.528   0.528
  700    HB   VAL  98           HB       VAL  98   4.597   2.941   2.941
  701   1HG1  VAL  98          1HG1      VAL  98   7.428   2.349   2.349
  702   2HG1  VAL  98          3HG1      VAL  98   6.900   3.849   3.849
  703   3HG1  VAL  98          2HG1      VAL  98   6.265   3.393   3.393
  704   1HG2  VAL  98          2HG2      VAL  98   6.621   0.975   0.975
  705   2HG2  VAL  98          1HG2      VAL  98   5.048   1.393   1.393
  706   3HG2  VAL  98          3HG2      VAL  98   6.352   2.580   2.580
  707    H    VAL  99           H        VAL  99   5.451   0.814   0.814
  708    HA   VAL  99           HA       VAL  99   2.823   2.054   2.054
  709    HB   VAL  99           HB       VAL  99   4.723   0.795   0.795
  710   1HG1  VAL  99          3HG1      VAL  99   1.814   1.336   1.336
  711   2HG1  VAL  99          2HG1      VAL  99   2.267  -0.158  -0.158
  712   3HG1  VAL  99          1HG1      VAL  99   2.865   1.397   1.397
  713   1HG2  VAL  99          3HG2      VAL  99   3.504  -0.502  -0.502
  714   2HG2  VAL  99          2HG2      VAL  99   4.818  -1.033  -1.033
  715   3HG2  VAL  99          1HG2      VAL  99   3.143  -1.279  -1.279
  716    H    ASP 100           H        ASP 100   3.115   3.098   3.098
  717    HA   ASP 100           HA       ASP 100   5.644   4.434   4.434
  718   1HB   ASP 100          2HB       ASP 100   3.294   5.804   5.804
  719   2HB   ASP 100          1HB       ASP 100   4.397   6.733   6.733
  720    H    VAL 101           H        VAL 101   5.790   5.256   5.256
  721    HA   VAL 101           HA       VAL 101   3.451   4.709   4.709
  722    HB   VAL 101           HB       VAL 101   6.373   5.369   5.369
  723   1HG1  VAL 101          2HG1      VAL 101   4.571   6.248   6.248
  724   2HG1  VAL 101          1HG1      VAL 101   4.573   4.560   4.560
  725   3HG1  VAL 101          3HG1      VAL 101   6.067   5.497   5.497
  726   1HG2  VAL 101          2HG2      VAL 101   5.465   3.027   3.027
  727   2HG2  VAL 101          1HG2      VAL 101   6.605   3.102   3.102
  728   3HG2  VAL 101          3HG2      VAL 101   4.878   2.914   2.914
  729    HA   PRO 102           HA       PRO 102   2.247   8.892   8.892
  730   1HB   PRO 102          2HB       PRO 102   1.233   9.181   9.181
  731   2HB   PRO 102          1HB       PRO 102   0.398   8.322   8.322
  732   1HG   PRO 102          2HG       PRO 102   2.052   7.221   7.221
  733   2HG   PRO 102          1HG       PRO 102   0.513   6.650   6.650
  734   1HD   PRO 102          2HD       PRO 102   2.836   5.475   5.475
  735   2HD   PRO 102          1HD       PRO 102   1.498   5.614   5.614
  736    H    ASP 103           H        ASP 103   3.520  10.677  10.677
  737    HA   ASP 103           HA       ASP 103   5.413  10.938  10.938
  738   1HB   ASP 103          2HB       ASP 103   6.731  12.283  12.283
  739   2HB   ASP 103          1HB       ASP 103   6.347  10.731  10.731
  740    H    ARG 104           H        ARG 104   3.469  11.862  11.862
  741    HA   ARG 104           HA       ARG 104   2.270  14.330  14.330
  742   1HB   ARG 104          2HB       ARG 104   2.369  13.616  13.616
  743   2HB   ARG 104          1HB       ARG 104   1.025  14.226  14.226
  744   1HG   ARG 104          2HG       ARG 104   0.268  12.112  12.112
  745   2HG   ARG 104          1HG       ARG 104   1.625  11.756  11.756
  746   1HD   ARG 104          2HD       ARG 104   1.358  11.254  11.254
  747   2HD   ARG 104          1HD       ARG 104   1.946  10.165  10.165
  748    HE   ARG 104           HE       ARG 104   3.692  12.401  12.401
  749   1HH1  ARG 104          1HH1      ARG 104   3.338   9.242   9.242
  750   2HH1  ARG 104          2HH1      ARG 104   4.550   9.331   9.331
  751   1HH2  ARG 104          1HH2      ARG 104   4.984  12.757  12.757
  752   2HH2  ARG 104          2HH2      ARG 104   5.481  11.322  11.322
  753    H    GLN 105           H        GLN 105   4.125  14.081  14.081
  754    HA   GLN 105           HA       GLN 105   5.244  16.777  16.777
  755   1HB   GLN 105          2HB       GLN 105   5.202  15.081  15.081
  756   2HB   GLN 105          1HB       GLN 105   5.672  16.779  16.779
  757   1HG   GLN 105          2HG       GLN 105   3.066  16.326  16.326
  758   2HG   GLN 105          1HG       GLN 105   3.094  15.801  15.801
  759   1HE2  GLN 105          2HE2      GLN 105   2.338  19.494  19.494
  760   2HE2  GLN 105          1HE2      GLN 105   1.618  18.129  18.129
  761    H    TRP 106           H        TRP 106   7.154  16.562  16.562
  762    HA   TRP 106           HA       TRP 106   9.267  14.819  14.819
  763   1HB   TRP 106          2HB       TRP 106   7.976  13.791  13.791
  764   2HB   TRP 106          1HB       TRP 106   8.730  15.032  15.032
  765    HD1  TRP 106           HD       TRP 106  10.697  14.006  14.006
  766    HE1  TRP 106          1HE       TRP 106  12.638  12.423  12.423
  767    HE3  TRP 106          3HE       TRP 106   9.458  12.923  12.923
  768    HZ2  TRP 106          2HZ       TRP 106  13.543  10.897  10.897
  769    HZ3  TRP 106          3HZ       TRP 106  10.875  11.403  11.403
  770    HH2  TRP 106           HH       TRP 106  12.915  10.390  10.390

  Start of MODEL    3
    1   1H    SER   1          1HT       SER   1   2.745 -10.891 -10.891
    2   2H    SER   1          3HT       SER   1   1.814 -11.241 -11.241
    3   3H    SER   1          2HT       SER   1   3.478 -11.587 -11.587
    4    HA   SER   1           HA       SER   1   3.171  -9.601  -9.601
    5   1HB   SER   1          2HB       SER   1   2.079  -7.945  -7.945
    6   2HB   SER   1          1HB       SER   1   1.412  -8.266  -8.266
    7    HG   SER   1           HG       SER   1   0.239  -9.877  -9.877
    8    H    LYS   2           H        LYS   2   4.741  -7.916  -7.916
    9    HA   LYS   2           HA       LYS   2   6.760  -8.248  -8.248
   10   1HB   LYS   2          2HB       LYS   2   6.942  -7.741  -7.741
   11   2HB   LYS   2          1HB       LYS   2   6.692  -6.069  -6.069
   12   1HG   LYS   2          2HG       LYS   2   8.703  -5.969  -5.969
   13   2HG   LYS   2          1HG       LYS   2   8.731  -7.706  -7.706
   14   1HD   LYS   2          2HD       LYS   2  10.438  -7.027  -7.027
   15   2HD   LYS   2          1HD       LYS   2   9.253  -8.145  -8.145
   16   1HE   LYS   2          2HE       LYS   2   9.130  -6.561  -6.561
   17   2HE   LYS   2          1HE       LYS   2   8.040  -5.750  -5.750
   18   1HZ   LYS   2          3HZ       LYS   2  10.953  -5.420  -5.420
   19   2HZ   LYS   2          2HZ       LYS   2  10.113  -4.488  -4.488
   20   3HZ   LYS   2          1HZ       LYS   2   9.709  -4.384  -4.384
   21    H    VAL   3           H        VAL   3   6.436  -7.209  -7.209
   22    HA   VAL   3           HA       VAL   3   4.985  -4.592  -4.592
   23    HB   VAL   3           HB       VAL   3   5.224  -6.847  -6.847
   24   1HG1  VAL   3          2HG1      VAL   3   5.100  -3.969  -3.969
   25   2HG1  VAL   3          1HG1      VAL   3   3.822  -4.932  -4.932
   26   3HG1  VAL   3          3HG1      VAL   3   5.513  -5.336  -5.336
   27   1HG2  VAL   3          2HG2      VAL   3   3.329  -6.077  -6.077
   28   2HG2  VAL   3          1HG2      VAL   3   2.980  -7.019  -7.019
   29   3HG2  VAL   3          3HG2      VAL   3   2.753  -5.270  -5.270
   30    H    VAL   4           H        VAL   4   5.953  -2.778  -2.778
   31    HA   VAL   4           HA       VAL   4   8.603  -3.045  -3.045
   32    HB   VAL   4           HB       VAL   4   7.809  -1.547  -1.547
   33   1HG1  VAL   4          1HG1      VAL   4   9.820  -0.686  -0.686
   34   2HG1  VAL   4          3HG1      VAL   4  10.082  -0.316  -0.316
   35   3HG1  VAL   4          2HG1      VAL   4   8.651   0.299   0.299
   36   1HG2  VAL   4          3HG2      VAL   4   9.647  -3.651  -3.651
   37   2HG2  VAL   4          2HG2      VAL   4   9.144  -3.150  -3.150
   38   3HG2  VAL   4          1HG2      VAL   4  10.495  -2.341  -2.341
   39    H    TYR   5           H        TYR   5   8.653  -1.876  -1.876
   40    HA   TYR   5           HA       TYR   5   6.443   0.047   0.047
   41   1HB   TYR   5          2HB       TYR   5   8.386  -1.457  -1.457
   42   2HB   TYR   5          1HB       TYR   5   7.129  -0.382  -0.382
   43    HD1  TYR   5          2HD       TYR   5   4.768  -0.764  -0.764
   44    HD2  TYR   5          1HD       TYR   5   7.852  -3.749  -3.749
   45    HE1  TYR   5          2HE       TYR   5   3.068  -2.517  -2.517
   46    HE2  TYR   5          1HE       TYR   5   6.155  -5.484  -5.484
   47    HH   TYR   5           HH       TYR   5   3.920  -5.831  -5.831
   48    H    VAL   6           H        VAL   6   6.820   2.098   2.098
   49    HA   VAL   6           HA       VAL   6   9.716   2.973   2.973
   50    HB   VAL   6           HB       VAL   6   7.331   4.687   4.687
   51   1HG1  VAL   6          1HG1      VAL   6   9.917   5.374   5.374
   52   2HG1  VAL   6          3HG1      VAL   6  10.014   5.113   5.113
   53   3HG1  VAL   6          2HG1      VAL   6   8.873   6.289   6.289
   54   1HG2  VAL   6          3HG2      VAL   6   7.578   2.623   2.623
   55   2HG2  VAL   6          2HG2      VAL   6   7.706   4.152   4.152
   56   3HG2  VAL   6          1HG2      VAL   6   9.161   3.232   3.232
   57    H    SER   7           H        SER   7  10.391   4.003   4.003
   58    HA   SER   7           HA       SER   7   8.509   4.258   4.258
   59   1HB   SER   7          2HB       SER   7  10.592   5.048   5.048
   60   2HB   SER   7          1HB       SER   7  10.824   3.514   3.514
   61    HG   SER   7           HG       SER   7  11.319   5.415   5.415
   62    H    HIS   8           H        HIS   8   9.741   6.710   6.710
   63    HA   HIS   8           HA       HIS   8   8.433   8.674   8.674
   64   1HB   HIS   8          2HB       HIS   8   8.603   9.941   9.941
   65   2HB   HIS   8          1HB       HIS   8   7.217   8.996   8.996
   66    HD1  HIS   8          1HD       HIS   8   6.649   7.061   7.061
   67    HD2  HIS   8          2HD       HIS   8  10.517   8.339   8.339
   68    HE1  HIS   8          1HE       HIS   8   7.481   5.632   5.632
   69    H    ASP   9           H        ASP   9  11.388   7.599   7.599
   70    HA   ASP   9           HA       ASP   9  12.737  10.229  10.229
   71   1HB   ASP   9          2HB       ASP   9  14.527   9.230   9.230
   72   2HB   ASP   9          1HB       ASP   9  13.052   8.690   8.690
   73    H    GLY  10           H        GLY  10  11.761   7.716   7.716
   74   1HA   GLY  10          2HA       GLY  10  12.465   7.736   7.736
   75   2HA   GLY  10          1HA       GLY  10  14.113   8.006   8.006
   76    H    THR  11           H        THR  11  14.142   6.007   6.007
   77    HA   THR  11           HA       THR  11  15.026   3.744   3.744
   78    HB   THR  11           HB       THR  11  14.688   4.637   4.637
   79    HG1  THR  11          1HG       THR  11  16.485   3.592   3.592
   80   1HG2  THR  11          1HG2      THR  11  12.491   3.229   3.229
   81   2HG2  THR  11          3HG2      THR  11  13.578   1.845   1.845
   82   3HG2  THR  11          2HG2      THR  11  13.540   3.029   3.029
   83    H    ARG  12           H        ARG  12  14.075   1.990   1.990
   84    HA   ARG  12           HA       ARG  12  11.093   1.722   1.722
   85   1HB   ARG  12          2HB       ARG  12  12.767   1.183   1.183
   86   2HB   ARG  12          1HB       ARG  12  11.015   1.364   1.364
   87   1HG   ARG  12          2HG       ARG  12  11.387   3.731   3.731
   88   2HG   ARG  12          1HG       ARG  12  13.100   3.516   3.516
   89   1HD   ARG  12          2HD       ARG  12  12.584   3.063   3.063
   90   2HD   ARG  12          1HD       ARG  12  10.847   3.200   3.200
   91    HE   ARG  12           HE       ARG  12  12.495   5.507   5.507
   92   1HH1  ARG  12          1HH2      ARG  12   9.605   4.530   4.530
   93   2HH1  ARG  12          2HH2      ARG  12   9.505   5.785   5.785
   94   1HH2  ARG  12          1HH1      ARG  12  12.734   6.924   6.924
   95   2HH2  ARG  12          2HH1      ARG  12  11.276   7.141   7.141
   96    H    ARG  13           H        ARG  13  10.326  -0.512  -0.512
   97    HA   ARG  13           HA       ARG  13  12.378  -2.649  -2.649
   98   1HB   ARG  13          2HB       ARG  13  10.732  -1.926  -1.926
   99   2HB   ARG  13          1HB       ARG  13   9.507  -2.747  -2.747
  100   1HG   ARG  13          2HG       ARG  13  10.175  -4.740  -4.740
  101   2HG   ARG  13          1HG       ARG  13  11.814  -4.437  -4.437
  102   1HD   ARG  13          2HD       ARG  13  11.501  -4.841  -4.841
  103   2HD   ARG  13          1HD       ARG  13  12.474  -3.438  -3.438
  104    HE   ARG  13           HE       ARG  13   9.577  -3.256  -3.256
  105   1HH1  ARG  13          1HH2      ARG  13  12.678  -2.418  -2.418
  106   2HH1  ARG  13          2HH2      ARG  13  12.351  -0.733  -0.733
  107   1HH2  ARG  13          1HH1      ARG  13   9.177  -0.890  -0.890
  108   2HH2  ARG  13          2HH1      ARG  13  10.369   0.133   0.133
  109    H    GLU  14           H        GLU  14  11.682  -4.789  -4.789
  110    HA   GLU  14           HA       GLU  14   9.652  -4.445  -4.445
  111   1HB   GLU  14          2HB       GLU  14  12.354  -5.833  -5.833
  112   2HB   GLU  14          1HB       GLU  14  11.209  -5.671  -5.671
  113   1HG   GLU  14          2HG       GLU  14  12.186  -3.709  -3.709
  114   2HG   GLU  14          1HG       GLU  14  11.559  -3.066  -3.066
  115    H    LEU  15           H        LEU  15   8.280  -6.200  -6.200
  116    HA   LEU  15           HA       LEU  15   8.846  -8.664  -8.664
  117   1HB   LEU  15          2HB       LEU  15   6.379  -6.969  -6.969
  118   2HB   LEU  15          1HB       LEU  15   6.232  -8.670  -8.670
  119    HG   LEU  15           HG       LEU  15   7.636  -6.496  -6.496
  120   1HD1  LEU  15          3HD1      LEU  15   5.078  -7.100  -7.100
  121   2HD1  LEU  15          2HD1      LEU  15   5.680  -8.528  -8.528
  122   3HD1  LEU  15          1HD1      LEU  15   6.034  -6.927  -6.927
  123   1HD2  LEU  15          1HD2      LEU  15   8.949  -8.632  -8.632
  124   2HD2  LEU  15          3HD2      LEU  15   8.320  -8.145  -8.145
  125   3HD2  LEU  15          2HD2      LEU  15   7.502  -9.430  -9.430
  126    H    ASP  16           H        ASP  16   8.305 -10.587 -10.587
  127    HA   ASP  16           HA       ASP  16   7.423 -10.476 -10.476
  128   1HB   ASP  16          2HB       ASP  16   8.645 -12.813 -12.813
  129   2HB   ASP  16          1HB       ASP  16   8.612 -12.555 -12.555
  130    H    VAL  17           H        VAL  17   5.209 -10.175 -10.175
  131    HA   VAL  17           HA       VAL  17   4.041 -12.320 -12.320
  132    HB   VAL  17           HB       VAL  17   3.278  -9.572  -9.572
  133   1HG1  VAL  17          1HG1      VAL  17   1.506 -11.546 -11.546
  134   2HG1  VAL  17          3HG1      VAL  17   1.129  -9.845  -9.845
  135   3HG1  VAL  17          2HG1      VAL  17   1.254 -10.951 -10.951
  136   1HG2  VAL  17          1HG2      VAL  17   4.121 -10.886 -10.886
  137   2HG2  VAL  17          3HG2      VAL  17   4.418  -9.243  -9.243
  138   3HG2  VAL  17          2HG2      VAL  17   2.864  -9.658  -9.658
  139    H    ALA  18           H        ALA  18   1.756 -12.989 -12.989
  140    HA   ALA  18           HA       ALA  18   1.696 -13.503 -13.503
  141   1HB   ALA  18          1HB       ALA  18   0.920 -15.260 -15.260
  142   2HB   ALA  18          3HB       ALA  18   0.694 -15.697 -15.697
  143   3HB   ALA  18          2HB       ALA  18   2.321 -15.474 -15.474
  144    H    ASP  19           H        ASP  19  -0.782 -14.822 -14.822
  145    HA   ASP  19           HA       ASP  19  -2.629 -12.556 -12.556
  146   1HB   ASP  19          2HB       ASP  19  -3.779 -13.804 -13.804
  147   2HB   ASP  19          1HB       ASP  19  -2.175 -14.518 -14.518
  148    H    GLY  20           H        GLY  20  -3.934 -12.236 -12.236
  149   1HA   GLY  20          2HA       GLY  20  -5.681 -13.128 -13.128
  150   2HA   GLY  20          1HA       GLY  20  -4.677 -14.566 -14.566
  151    H    VAL  21           H        VAL  21  -2.485 -12.185 -12.185
  152    HA   VAL  21           HA       VAL  21  -2.414 -11.978 -11.978
  153    HB   VAL  21           HB       VAL  21  -0.456 -11.886 -11.886
  154   1HG1  VAL  21          2HG1      VAL  21  -0.112 -10.648 -10.648
  155   2HG1  VAL  21          1HG1      VAL  21   1.265 -11.138 -11.138
  156   3HG1  VAL  21          3HG1      VAL  21   0.157  -9.898  -9.898
  157   1HG2  VAL  21          2HG2      VAL  21  -1.088 -13.645 -13.645
  158   2HG2  VAL  21          1HG2      VAL  21   0.066 -13.905 -13.905
  159   3HG2  VAL  21          3HG2      VAL  21   0.582 -13.083 -13.083
  160    H    SER  22           H        SER  22  -1.435  -9.906  -9.906
  161    HA   SER  22           HA       SER  22  -2.508  -7.502  -7.502
  162   1HB   SER  22          2HB       SER  22  -2.062  -7.079  -7.079
  163   2HB   SER  22          1HB       SER  22  -3.595  -7.091  -7.091
  164    HG   SER  22           HG       SER  22  -2.256  -9.170  -9.170
  165    H    LEU  23           H        LEU  23  -1.140  -5.524  -5.524
  166    HA   LEU  23           HA       LEU  23   1.649  -6.087  -6.087
  167   1HB   LEU  23          2HB       LEU  23   0.374  -3.553  -3.553
  168   2HB   LEU  23          1HB       LEU  23   1.962  -3.702  -3.702
  169    HG   LEU  23           HG       LEU  23  -0.687  -4.029  -4.029
  170   1HD1  LEU  23          3HD1      LEU  23   0.521  -1.759  -1.759
  171   2HD1  LEU  23          2HD1      LEU  23   1.686  -2.371  -2.371
  172   3HD1  LEU  23          1HD1      LEU  23  -0.007  -2.174  -2.174
  173   1HD2  LEU  23          1HD2      LEU  23   1.983  -5.161  -5.161
  174   2HD2  LEU  23          3HD2      LEU  23   0.385  -5.713  -5.713
  175   3HD2  LEU  23          2HD2      LEU  23   1.160  -4.367  -4.367
  176    H    MET  24           H        MET  24  -0.236  -6.171  -6.171
  177    HA   MET  24           HA       MET  24   2.062  -5.619  -5.619
  178   1HB   MET  24          2HB       MET  24  -0.633  -5.246  -5.246
  179   2HB   MET  24          1HB       MET  24  -0.400  -6.695  -6.695
  180   1HG   MET  24          2HG       MET  24   1.488  -5.496  -5.496
  181   2HG   MET  24          1HG       MET  24   0.992  -4.036  -4.036
  182   1HE   MET  24          1HE       MET  24  -0.306  -7.038  -7.038
  183   2HE   MET  24          3HE       MET  24   0.811  -6.064  -6.064
  184   3HE   MET  24          2HE       MET  24  -0.881  -6.219  -6.219
  185    H    GLN  25           H        GLN  25  -0.277  -8.281  -8.281
  186    HA   GLN  25           HA       GLN  25   0.956 -10.133 -10.133
  187   1HB   GLN  25          2HB       GLN  25  -0.854 -11.234 -11.234
  188   2HB   GLN  25          1HB       GLN  25  -0.979 -10.012 -10.012
  189   1HG   GLN  25          2HG       GLN  25   0.783 -12.461 -12.461
  190   2HG   GLN  25          1HG       GLN  25  -0.800 -12.295 -12.295
  191   1HE2  GLN  25          2HE2      GLN  25   0.801  -9.276  -9.276
  192   2HE2  GLN  25          1HE2      GLN  25  -0.256  -9.304  -9.304
  193    H    ALA  26           H        ALA  26   2.201  -9.140  -9.140
  194    HA   ALA  26           HA       ALA  26   4.169 -11.377 -11.377
  195   1HB   ALA  26          2HB       ALA  26   3.463  -9.102  -9.102
  196   2HB   ALA  26          1HB       ALA  26   4.929 -10.074 -10.074
  197   3HB   ALA  26          3HB       ALA  26   3.318 -10.842 -10.842
  198    H    ALA  27           H        ALA  27   3.805  -7.944  -7.944
  199    HA   ALA  27           HA       ALA  27   6.616  -7.284  -7.284
  200   1HB   ALA  27          1HB       ALA  27   3.911  -6.014  -6.014
  201   2HB   ALA  27          3HB       ALA  27   5.316  -5.147  -5.147
  202   3HB   ALA  27          2HB       ALA  27   5.210  -5.594  -5.594
  203    H    VAL  28           H        VAL  28   3.849  -7.811  -7.811
  204    HA   VAL  28           HA       VAL  28   5.126  -7.155  -7.155
  205    HB   VAL  28           HB       VAL  28   3.138  -9.363  -9.363
  206   1HG1  VAL  28          2HG1      VAL  28   4.443  -8.880  -8.880
  207   2HG1  VAL  28          1HG1      VAL  28   2.937  -7.980  -7.980
  208   3HG1  VAL  28          3HG1      VAL  28   2.895  -9.707  -9.707
  209   1HG2  VAL  28          3HG2      VAL  28   2.597  -6.972  -6.972
  210   2HG2  VAL  28          2HG2      VAL  28   1.420  -7.749  -7.749
  211   3HG2  VAL  28          1HG2      VAL  28   2.557  -6.551  -6.551
  212    H    SER  29           H        SER  29   4.737 -10.416 -10.416
  213    HA   SER  29           HA       SER  29   6.541 -11.846 -11.846
  214   1HB   SER  29          2HB       SER  29   6.825 -12.591 -12.591
  215   2HB   SER  29          1HB       SER  29   5.868 -13.397 -13.397
  216    HG   SER  29           HG       SER  29   4.910 -12.276 -12.276
  217    H    ASN  30           H        ASN  30   7.051  -9.850  -9.850
  218    HA   ASN  30           HA       ASN  30   9.893 -10.285 -10.285
  219   1HB   ASN  30          2HB       ASN  30   7.680  -8.723  -8.723
  220   2HB   ASN  30          1HB       ASN  30   9.198  -7.845  -7.845
  221   1HD2  ASN  30          2HD2      ASN  30   8.599 -11.007 -11.007
  222   2HD2  ASN  30          1HD2      ASN  30   7.415 -10.505 -10.505
  223    H    GLY  31           H        GLY  31   8.185  -8.896  -8.896
  224   1HA   GLY  31          2HA       GLY  31   9.056  -7.728  -7.728
  225   2HA   GLY  31          1HA       GLY  31  10.535  -7.418  -7.418
  226    H    ILE  32           H        ILE  32   8.552  -6.478  -6.478
  227    HA   ILE  32           HA       ILE  32   8.868  -3.730  -3.730
  228    HB   ILE  32           HB       ILE  32   6.380  -5.231  -5.231
  229   1HG1  ILE  32          2HG1      ILE  32   9.174  -5.216  -5.216
  230   2HG1  ILE  32          1HG1      ILE  32   7.918  -6.426  -6.426
  231   1HG2  ILE  32          3HG2      ILE  32   7.635  -2.625  -2.625
  232   2HG2  ILE  32          2HG2      ILE  32   6.315  -3.436  -3.436
  233   3HG2  ILE  32          1HG2      ILE  32   6.067  -2.822  -2.822
  234   1HD1  ILE  32          1HD1      ILE  32   6.855  -4.813  -4.813
  235   2HD1  ILE  32          3HD1      ILE  32   8.352  -3.891  -3.891
  236   3HD1  ILE  32          2HD1      ILE  32   8.373  -5.554  -5.554
  237    H    TYR  33           H        TYR  33   6.330  -5.669  -5.669
  238    HA   TYR  33           HA       TYR  33   6.177  -3.813  -3.813
  239   1HB   TYR  33          2HB       TYR  33   3.465  -3.961  -3.961
  240   2HB   TYR  33          1HB       TYR  33   4.476  -2.518  -2.518
  241    HD1  TYR  33          2HD       TYR  33   4.083  -5.730  -5.730
  242    HD2  TYR  33          1HD       TYR  33   3.945  -1.461  -1.461
  243    HE1  TYR  33          2HE       TYR  33   3.489  -5.904  -5.904
  244    HE2  TYR  33          1HE       TYR  33   3.329  -1.606  -1.606
  245    HH   TYR  33           HH       TYR  33   3.859  -3.833  -3.833
  246    H    ASP  34           H        ASP  34   6.458  -5.567  -5.567
  247    HA   ASP  34           HA       ASP  34   5.023  -8.078  -8.078
  248   1HB   ASP  34          2HB       ASP  34   5.911  -8.395  -8.395
  249   2HB   ASP  34          1HB       ASP  34   7.158  -7.896  -7.896
  250    H    ILE  35           H        ILE  35   3.120  -6.218  -6.218
  251    HA   ILE  35           HA       ILE  35   1.705  -5.808  -5.808
  252    HB   ILE  35           HB       ILE  35   2.261  -3.843  -3.843
  253   1HG1  ILE  35          2HG1      ILE  35  -0.659  -4.009  -4.009
  254   2HG1  ILE  35          1HG1      ILE  35  -0.126  -4.389  -4.389
  255   1HG2  ILE  35          3HG2      ILE  35   1.944  -5.352  -5.352
  256   2HG2  ILE  35          2HG2      ILE  35   0.306  -4.713  -4.713
  257   3HG2  ILE  35          1HG2      ILE  35   1.672  -3.611  -3.611
  258   1HD1  ILE  35          3HD1      ILE  35   1.150  -2.019  -2.019
  259   2HD1  ILE  35          2HD1      ILE  35  -0.568  -1.855  -1.855
  260   3HD1  ILE  35          1HD1      ILE  35   0.573  -2.254  -2.254
  261    H    VAL  36           H        VAL  36   0.838  -8.007  -8.007
  262    HA   VAL  36           HA       VAL  36  -1.283  -8.528  -8.528
  263    HB   VAL  36           HB       VAL  36  -0.855 -10.952 -10.952
  264   1HG1  VAL  36          3HG1      VAL  36   0.096  -9.521  -9.521
  265   2HG1  VAL  36          2HG1      VAL  36   1.614  -9.959  -9.959
  266   3HG1  VAL  36          1HG1      VAL  36   0.493 -11.219 -11.219
  267   1HG2  VAL  36          1HG2      VAL  36   0.609  -9.845  -9.845
  268   2HG2  VAL  36          3HG2      VAL  36   1.032 -11.418 -11.418
  269   3HG2  VAL  36          2HG2      VAL  36   1.878  -9.968  -9.968
  270    H    GLY  37           H        GLY  37  -1.543  -6.992  -6.992
  271   1HA   GLY  37          2HA       GLY  37  -3.351  -8.835  -8.835
  272   2HA   GLY  37          1HA       GLY  37  -2.546  -7.442  -7.442
  273    H    ASP  38           H        ASP  38  -3.057  -5.438  -5.438
  274    HA   ASP  38           HA       ASP  38  -5.884  -4.879  -4.879
  275   1HB   ASP  38          2HB       ASP  38  -3.453  -3.498  -3.498
  276   2HB   ASP  38          1HB       ASP  38  -4.588  -3.024  -3.024
  277    H    CYS  39           H        CYS  39  -3.858  -5.466  -5.466
  278    HA   CYS  39           HA       CYS  39  -6.293  -5.627  -5.627
  279   1HB   CYS  39          2HB       CYS  39  -4.484  -5.292  -5.292
  280   2HB   CYS  39          1HB       CYS  39  -4.856  -3.945  -3.945
  281    H    GLY  40           H        GLY  40  -3.108  -7.214  -7.214
  282   1HA   GLY  40          2HA       GLY  40  -2.414  -9.381  -9.381
  283   2HA   GLY  40          1HA       GLY  40  -3.968  -9.852  -9.852
  284    H    GLY  41           H        GLY  41  -3.518  -7.776  -7.776
  285   1HA   GLY  41          2HA       GLY  41  -3.958  -8.205  -8.205
  286   2HA   GLY  41          1HA       GLY  41  -4.188  -9.910  -9.910
  287    H    SER  42           H        SER  42  -5.857  -7.391  -7.391
  288    HA   SER  42           HA       SER  42  -8.390  -8.199  -8.199
  289   1HB   SER  42          2HB       SER  42  -8.056  -7.470  -7.470
  290   2HB   SER  42          1HB       SER  42  -9.447  -8.241  -8.241
  291    HG   SER  42           HG       SER  42  -8.484 -10.064 -10.064
  292    H    ALA  43           H        ALA  43  -6.358  -5.640  -5.640
  293    HA   ALA  43           HA       ALA  43  -6.540  -3.344  -3.344
  294   1HB   ALA  43          2HB       ALA  43  -8.203  -4.558  -4.558
  295   2HB   ALA  43          1HB       ALA  43  -9.374  -3.614  -3.614
  296   3HB   ALA  43          3HB       ALA  43  -8.041  -2.805  -2.805
  297    H    SER  44           H        SER  44  -6.809  -3.895  -3.895
  298    HA   SER  44           HA       SER  44  -8.952  -2.012  -2.012
  299   1HB   SER  44          2HB       SER  44  -9.898  -3.899  -3.899
  300   2HB   SER  44          1HB       SER  44  -8.418  -4.832  -4.832
  301    HG   SER  44           HG       SER  44  -8.678  -4.545  -4.545
  302    H    CYS  45           H        CYS  45  -6.233  -1.574  -1.574
  303    HA   CYS  45           HA       CYS  45  -4.860  -1.223  -1.223
  304   1HB   CYS  45          2HB       CYS  45  -2.817  -0.989  -0.989
  305   2HB   CYS  45          1HB       CYS  45  -3.497  -2.568  -2.568
  306    H    ALA  46           H        ALA  46  -3.568   0.666   0.666
  307    HA   ALA  46           HA       ALA  46  -4.635   3.099   3.099
  308   1HB   ALA  46          2HB       ALA  46  -5.162   2.782   2.782
  309   2HB   ALA  46          1HB       ALA  46  -3.436   2.715   2.715
  310   3HB   ALA  46          3HB       ALA  46  -4.152   4.204   4.204
  311    H    THR  47           H        THR  47  -1.795   1.210   1.210
  312    HA   THR  47           HA       THR  47  -0.040   3.576   3.576
  313    HB   THR  47           HB       THR  47   0.232   2.035   2.035
  314    HG1  THR  47          1HG       THR  47   2.204   2.705   2.705
  315   1HG2  THR  47          2HG2      THR  47  -0.216  -0.040  -0.040
  316   2HG2  THR  47          1HG2      THR  47   1.411   0.158   0.158
  317   3HG2  THR  47          3HG2      THR  47   1.180  -0.136  -0.136
  318    H    CYS  48           H        CYS  48  -1.168   0.620   0.620
  319    HA   CYS  48           HA       CYS  48   1.134   0.498   0.498
  320   1HB   CYS  48          2HB       CYS  48  -1.452  -0.842  -0.842
  321   2HB   CYS  48          1HB       CYS  48   0.177  -1.414  -1.414
  322    H    HIS  49           H        HIS  49  -0.747   3.002   3.002
  323    HA   HIS  49           HA       HIS  49  -2.229   3.316   3.316
  324   1HB   HIS  49          2HB       HIS  49  -1.769   4.959   4.959
  325   2HB   HIS  49          1HB       HIS  49  -0.232   5.312   5.312
  326    HD1  HIS  49          1HD       HIS  49  -2.740   7.307   7.307
  327    HD2  HIS  49          2HD       HIS  49  -1.638   5.346   5.346
  328    HE1  HIS  49          1HE       HIS  49  -3.663   8.678   8.678
  329    H    VAL  50           H        VAL  50  -1.569   3.527   3.527
  330    HA   VAL  50           HA       VAL  50   1.353   3.694   3.694
  331    HB   VAL  50           HB       VAL  50   1.051   1.798   1.798
  332   1HG1  VAL  50          3HG1      VAL  50   0.953   1.565   1.565
  333   2HG1  VAL  50          2HG1      VAL  50   0.742   0.088   0.088
  334   3HG1  VAL  50          1HG1      VAL  50   2.204   1.055   1.055
  335   1HG2  VAL  50          3HG2      VAL  50  -1.478   2.080   2.080
  336   2HG2  VAL  50          2HG2      VAL  50  -0.884   0.421   0.421
  337   3HG2  VAL  50          1HG2      VAL  50  -1.451   1.235   1.235
  338    H    TYR  51           H        TYR  51   1.818   4.322   4.322
  339    HA   TYR  51           HA       TYR  51  -0.469   5.580   5.580
  340   1HB   TYR  51          2HB       TYR  51   2.266   6.437   6.437
  341   2HB   TYR  51          1HB       TYR  51   1.606   7.109   7.109
  342    HD1  TYR  51          1HD       TYR  51  -1.261   6.425   6.425
  343    HD2  TYR  51          2HD       TYR  51   2.140   9.094   9.094
  344    HE1  TYR  51          1HE       TYR  51  -2.616   8.122   8.122
  345    HE2  TYR  51          2HE       TYR  51   0.760  10.773  10.773
  346    HH   TYR  51           HH       TYR  51  -1.716  10.300  10.300
  347    H    VAL  52           H        VAL  52  -0.806   4.579   4.579
  348    HA   VAL  52           HA       VAL  52   1.400   3.009   3.009
  349    HB   VAL  52           HB       VAL  52  -1.567   3.135   3.135
  350   1HG1  VAL  52          2HG1      VAL  52   0.521   1.915   1.915
  351   2HG1  VAL  52          1HG1      VAL  52  -0.152   0.612   0.612
  352   3HG1  VAL  52          3HG1      VAL  52  -1.190   1.501   1.501
  353   1HG2  VAL  52          2HG2      VAL  52  -0.239   2.171   2.171
  354   2HG2  VAL  52          1HG2      VAL  52  -1.939   1.987   1.987
  355   3HG2  VAL  52          3HG2      VAL  52  -0.768   0.764   0.764
  356    H    ASN  53           H        ASN  53   1.935   3.336   3.336
  357    HA   ASN  53           HA       ASN  53   1.600   6.076   6.076
  358   1HB   ASN  53          2HB       ASN  53   2.770   5.123   5.123
  359   2HB   ASN  53          1HB       ASN  53   3.634   4.852   4.852
  360   1HD2  ASN  53          2HD2      ASN  53   1.790   1.396   1.396
  361   2HD2  ASN  53          1HD2      ASN  53   0.992   2.742   2.742
  362    H    GLU  54           H        GLU  54  -0.031   6.825   6.825
  363    HA   GLU  54           HA       GLU  54  -2.492   5.753   5.753
  364   1HB   GLU  54          2HB       GLU  54  -2.513   7.156   7.156
  365   2HB   GLU  54          1HB       GLU  54  -1.883   7.987   7.987
  366   1HG   GLU  54          2HG       GLU  54  -0.064   8.458   8.458
  367   2HG   GLU  54          1HG       GLU  54   0.365   6.757   6.757
  368    H    ALA  55           H        ALA  55   0.410   4.771   4.771
  369    HA   ALA  55           HA       ALA  55  -0.817   3.446   3.446
  370   1HB   ALA  55          1HB       ALA  55   1.762   3.174   3.174
  371   2HB   ALA  55          3HB       ALA  55   1.410   2.105   2.105
  372   3HB   ALA  55          2HB       ALA  55   1.506   3.848   3.848
  373    H    PHE  56           H        PHE  56  -0.661   2.533   2.533
  374    HA   PHE  56           HA       PHE  56  -1.785  -0.150  -0.150
  375   1HB   PHE  56          2HB       PHE  56   0.167   0.654   0.654
  376   2HB   PHE  56          1HB       PHE  56  -0.554  -0.950  -0.950
  377    HD1  PHE  56          1HD       PHE  56   1.413   1.552   1.552
  378    HD2  PHE  56          2HD       PHE  56   0.440  -2.643  -2.643
  379    HE1  PHE  56          1HE       PHE  56   3.076   0.960   0.960
  380    HE2  PHE  56          2HE       PHE  56   2.095  -3.170  -3.170
  381    HZ   PHE  56           HZ       PHE  56   3.419  -1.405  -1.405
  382    H    THR  57           H        THR  57  -2.241   2.775   2.775
  383    HA   THR  57           HA       THR  57  -4.012   1.658   1.658
  384    HB   THR  57           HB       THR  57  -3.957   3.784   3.784
  385    HG1  THR  57          1HG       THR  57  -5.265   4.849   4.849
  386   1HG2  THR  57          1HG2      THR  57  -1.576   3.302   3.302
  387   2HG2  THR  57          3HG2      THR  57  -1.937   4.420   4.420
  388   3HG2  THR  57          2HG2      THR  57  -1.968   4.987   4.987
  389    H    ASP  58           H        ASP  58  -4.241   2.629   2.629
  390    HA   ASP  58           HA       ASP  58  -7.147   3.154   3.154
  391   1HB   ASP  58          2HB       ASP  58  -6.797   3.819   3.819
  392   2HB   ASP  58          1HB       ASP  58  -5.352   4.341   4.341
  393    H    LYS  59           H        LYS  59  -4.909   0.597   0.597
  394    HA   LYS  59           HA       LYS  59  -6.964  -1.020  -1.020
  395   1HB   LYS  59          2HB       LYS  59  -4.176  -1.729  -1.729
  396   2HB   LYS  59          1HB       LYS  59  -5.102  -2.554  -2.554
  397   1HG   LYS  59          2HG       LYS  59  -4.415   0.378   0.378
  398   2HG   LYS  59          1HG       LYS  59  -3.305  -0.873  -0.873
  399   1HD   LYS  59          2HD       LYS  59  -6.052  -1.316  -1.316
  400   2HD   LYS  59          1HD       LYS  59  -5.384   0.212   0.212
  401   1HE   LYS  59          2HE       LYS  59  -3.767  -2.332  -2.332
  402   2HE   LYS  59          1HE       LYS  59  -4.939  -1.894  -1.894
  403   1HZ   LYS  59          1HZ       LYS  59  -3.206   0.237   0.237
  404   2HZ   LYS  59          3HZ       LYS  59  -2.455  -0.960  -0.960
  405   3HZ   LYS  59          2HZ       LYS  59  -3.763  -0.082  -0.082
  406    H    VAL  60           H        VAL  60  -6.778  -0.238  -0.238
  407    HA   VAL  60           HA       VAL  60  -7.273  -3.011  -3.011
  408    HB   VAL  60           HB       VAL  60  -6.805  -1.585  -1.585
  409   1HG1  VAL  60          3HG1      VAL  60  -4.971  -2.962  -2.962
  410   2HG1  VAL  60          2HG1      VAL  60  -4.273  -2.138  -2.138
  411   3HG1  VAL  60          1HG1      VAL  60  -5.448  -3.431  -3.431
  412   1HG2  VAL  60          1HG2      VAL  60  -5.319  -0.121  -0.121
  413   2HG2  VAL  60          3HG2      VAL  60  -6.481   0.554   0.554
  414   3HG2  VAL  60          2HG2      VAL  60  -4.911  -0.007  -0.007
  415    HA   PRO  61           HA       PRO  61 -11.404  -1.917  -1.917
  416   1HB   PRO  61          2HB       PRO  61 -11.734  -3.194  -3.194
  417   2HB   PRO  61          1HB       PRO  61 -11.734  -4.017  -4.017
  418   1HG   PRO  61          2HG       PRO  61  -9.505  -3.712  -3.712
  419   2HG   PRO  61          1HG       PRO  61 -10.005  -5.152  -5.152
  420   1HD   PRO  61          2HD       PRO  61  -7.892  -3.699  -3.699
  421   2HD   PRO  61          1HD       PRO  61  -9.009  -4.421  -4.421
  422    H    ALA  62           H        ALA  62 -12.667  -0.681  -0.681
  423    HA   ALA  62           HA       ALA  62 -11.275   1.482   1.482
  424   1HB   ALA  62          1HB       ALA  62 -13.623   1.014   1.014
  425   2HB   ALA  62          3HB       ALA  62 -14.176   1.384   1.384
  426   3HB   ALA  62          2HB       ALA  62 -13.158   2.535   2.535
  427    H    ALA  63           H        ALA  63 -10.920   1.559   1.559
  428    HA   ALA  63           HA       ALA  63 -11.707  -0.559  -0.559
  429   1HB   ALA  63          3HB       ALA  63  -9.773   1.302   1.302
  430   2HB   ALA  63          2HB       ALA  63 -10.917   2.150   2.150
  431   3HB   ALA  63          1HB       ALA  63 -10.296   0.564   0.564
  432    H    ASN  64           H        ASN  64 -13.177  -0.338  -0.338
  433    HA   ASN  64           HA       ASN  64 -15.470   1.452   1.452
  434   1HB   ASN  64          2HB       ASN  64 -16.612  -0.122  -0.122
  435   2HB   ASN  64          1HB       ASN  64 -15.964  -0.898  -0.898
  436   1HD2  ASN  64          2HD2      ASN  64 -14.721  -3.054  -3.054
  437   2HD2  ASN  64          1HD2      ASN  64 -16.149  -2.772  -2.772
  438    H    GLU  65           H        GLU  65 -16.715   1.792   1.792
  439    HA   GLU  65           HA       GLU  65 -15.583   3.969   3.969
  440   1HB   GLU  65          2HB       GLU  65 -17.267   3.567   3.567
  441   2HB   GLU  65          1HB       GLU  65 -17.912   2.922   2.922
  442   1HG   GLU  65          2HG       GLU  65 -16.625   0.726   0.726
  443   2HG   GLU  65          1HG       GLU  65 -17.016   1.484   1.484
  444    H    ARG  66           H        ARG  66 -14.701   0.604   0.604
  445    HA   ARG  66           HA       ARG  66 -13.507   0.732   0.732
  446   1HB   ARG  66          2HB       ARG  66 -13.778  -1.092  -1.092
  447   2HB   ARG  66          1HB       ARG  66 -12.056  -0.974  -0.974
  448   1HG   ARG  66          2HG       ARG  66 -12.486  -1.464  -1.464
  449   2HG   ARG  66          1HG       ARG  66 -14.227  -1.511  -1.511
  450   1HD   ARG  66          2HD       ARG  66 -12.183  -3.364  -3.364
  451   2HD   ARG  66          1HD       ARG  66 -13.284  -3.805  -3.805
  452    HE   ARG  66           HE       ARG  66 -14.792  -2.634  -2.634
  453   1HH1  ARG  66          1HH2      ARG  66 -12.674  -5.299  -5.299
  454   2HH1  ARG  66          2HH2      ARG  66 -13.737  -6.429  -6.429
  455   1HH2  ARG  66          1HH1      ARG  66 -16.336  -4.157  -4.157
  456   2HH2  ARG  66          2HH1      ARG  66 -15.810  -5.781  -5.781
  457    H    GLU  67           H        GLU  67 -11.931   0.837   0.837
  458    HA   GLU  67           HA       GLU  67  -9.386   1.683   1.683
  459   1HB   GLU  67          2HB       GLU  67  -9.590   0.617   0.617
  460   2HB   GLU  67          1HB       GLU  67 -10.812   1.772   1.772
  461   1HG   GLU  67          2HG       GLU  67  -9.229   3.515   3.515
  462   2HG   GLU  67          1HG       GLU  67  -8.036   2.673   2.673
  463    H    ILE  68           H        ILE  68 -12.078   3.539   3.539
  464    HA   ILE  68           HA       ILE  68 -10.903   6.008   6.008
  465    HB   ILE  68           HB       ILE  68 -13.506   5.077   5.077
  466   1HG1  ILE  68          2HG1      ILE  68 -14.385   5.965   5.965
  467   2HG1  ILE  68          1HG1      ILE  68 -12.936   6.930   6.930
  468   1HG2  ILE  68          2HG2      ILE  68 -12.904   7.168   7.168
  469   2HG2  ILE  68          1HG2      ILE  68 -12.827   8.017   8.017
  470   3HG2  ILE  68          3HG2      ILE  68 -14.353   7.321   7.321
  471   1HD1  ILE  68          1HD1      ILE  68 -12.712   3.939   3.939
  472   2HD1  ILE  68          3HD1      ILE  68 -13.248   4.670   4.670
  473   3HD1  ILE  68          2HD1      ILE  68 -11.663   5.072   5.072
  474    H    GLY  69           H        GLY  69 -11.640   4.618   4.618
  475   1HA   GLY  69          2HA       GLY  69 -10.403   6.982   6.982
  476   2HA   GLY  69          1HA       GLY  69 -11.168   5.641   5.641
  477    H    MET  70           H        MET  70  -9.893   3.436   3.436
  478    HA   MET  70           HA       MET  70  -7.445   3.329   3.329
  479   1HB   MET  70          2HB       MET  70  -7.032   1.361   1.361
  480   2HB   MET  70          1HB       MET  70  -8.512   1.293   1.293
  481   1HG   MET  70          2HG       MET  70  -9.543   2.530   2.530
  482   2HG   MET  70          1HG       MET  70  -8.098   1.972   1.972
  483   1HE   MET  70          3HE       MET  70  -7.521   0.108   0.108
  484   2HE   MET  70          2HE       MET  70  -7.359  -0.889  -0.889
  485   3HE   MET  70          1HE       MET  70  -8.291  -1.492  -1.492
  486    H    LEU  71           H        LEU  71  -8.057   3.898   3.898
  487    HA   LEU  71           HA       LEU  71  -5.312   4.164   4.164
  488   1HB   LEU  71          2HB       LEU  71  -7.419   3.519   3.519
  489   2HB   LEU  71          1HB       LEU  71  -7.923   5.209   5.209
  490    HG   LEU  71           HG       LEU  71  -5.923   3.968   3.968
  491   1HD1  LEU  71          3HD1      LEU  71  -8.227   5.701   5.701
  492   2HD1  LEU  71          2HD1      LEU  71  -6.865   6.508   6.508
  493   3HD1  LEU  71          1HD1      LEU  71  -7.394   4.921   4.921
  494   1HD2  LEU  71          3HD2      LEU  71  -4.454   5.384   5.384
  495   2HD2  LEU  71          2HD2      LEU  71  -4.599   6.035   6.035
  496   3HD2  LEU  71          1HD2      LEU  71  -5.508   6.765   6.765
  497    H    GLU  72           H        GLU  72  -7.815   6.365   6.365
  498    HA   GLU  72           HA       GLU  72  -6.127   8.760   8.760
  499   1HB   GLU  72          2HB       GLU  72  -8.410   9.114   9.114
  500   2HB   GLU  72          1HB       GLU  72  -8.926   8.146   8.146
  501   1HG   GLU  72          2HG       GLU  72  -8.592   9.850   9.850
  502   2HG   GLU  72          1HG       GLU  72  -7.313  10.603  10.603
  503    H    CYS  73           H        CYS  73  -6.126   6.355   6.355
  504    HA   CYS  73           HA       CYS  73  -6.320   7.528   7.528
  505   1HB   CYS  73          2HB       CYS  73  -4.682   5.384   5.384
  506   2HB   CYS  73          1HB       CYS  73  -4.206   5.899   5.899
  507    HG   CYS  73           HG       CYS  73  -7.170   5.435   5.435
  508    H    VAL  74           H        VAL  74  -3.344   7.397   7.397
  509    HA   VAL  74           HA       VAL  74  -2.119   9.502   9.502
  510    HB   VAL  74           HB       VAL  74  -0.150   8.998   8.998
  511   1HG1  VAL  74          2HG1      VAL  74  -1.388   7.326   7.326
  512   2HG1  VAL  74          1HG1      VAL  74  -0.957   6.255   6.255
  513   3HG1  VAL  74          3HG1      VAL  74   0.287   7.226   7.226
  514   1HG2  VAL  74          2HG2      VAL  74  -2.223   8.010   8.010
  515   2HG2  VAL  74          1HG2      VAL  74  -0.501   8.156   8.156
  516   3HG2  VAL  74          3HG2      VAL  74  -1.133   6.676   6.676
  517    H    THR  75           H        THR  75  -2.991  11.502  11.502
  518    HA   THR  75           HA       THR  75  -4.182  12.415  12.415
  519    HB   THR  75           HB       THR  75  -4.002  13.582  13.582
  520    HG1  THR  75          1HG       THR  75  -4.422  15.299  15.299
  521   1HG2  THR  75          3HG2      THR  75  -1.238  13.163  13.163
  522   2HG2  THR  75          2HG2      THR  75  -1.485  14.910  14.910
  523   3HG2  THR  75          1HG2      THR  75  -1.993  13.988  13.988
  524    H    ALA  76           H        ALA  76  -3.150  11.741  11.741
  525    HA   ALA  76           HA       ALA  76  -0.533  13.090  13.090
  526   1HB   ALA  76          2HB       ALA  76  -1.494  10.271  10.271
  527   2HB   ALA  76          1HB       ALA  76  -0.262  10.950  10.950
  528   3HB   ALA  76          3HB       ALA  76   0.042  10.823  10.823
  529    H    GLU  77           H        GLU  77  -2.886  14.380  14.380
  530    HA   GLU  77           HA       GLU  77  -4.282  15.093  15.093
  531   1HB   GLU  77          2HB       GLU  77  -2.852  15.767  15.767
  532   2HB   GLU  77          1HB       GLU  77  -2.083  16.147  16.147
  533   1HG   GLU  77          2HG       GLU  77  -0.626  14.251  14.251
  534   2HG   GLU  77          1HG       GLU  77  -1.530  13.591  13.591
  535    H    LEU  78           H        LEU  78  -5.073  12.676  12.676
  536    HA   LEU  78           HA       LEU  78  -4.785  10.472  10.472
  537   1HB   LEU  78          2HB       LEU  78  -6.848  11.853  11.853
  538   2HB   LEU  78          1HB       LEU  78  -7.485  11.483  11.483
  539    HG   LEU  78           HG       LEU  78  -6.957   9.124   9.124
  540   1HD1  LEU  78          3HD1      LEU  78  -5.276  10.186  10.186
  541   2HD1  LEU  78          2HD1      LEU  78  -6.260   8.831   8.831
  542   3HD1  LEU  78          1HD1      LEU  78  -5.181   8.634   8.634
  543   1HD2  LEU  78          3HD2      LEU  78  -8.487  10.510  10.510
  544   2HD2  LEU  78          2HD2      LEU  78  -9.086   9.493   9.493
  545   3HD2  LEU  78          1HD2      LEU  78  -8.276   8.762   8.762
  546    H    LYS  79           H        LYS  79  -4.995   9.756   9.756
  547    HA   LYS  79           HA       LYS  79  -5.479  11.852  11.852
  548   1HB   LYS  79          2HB       LYS  79  -3.836   9.379   9.379
  549   2HB   LYS  79          1HB       LYS  79  -3.736  10.899  10.899
  550   1HG   LYS  79          2HG       LYS  79  -2.900  12.023  12.023
  551   2HG   LYS  79          1HG       LYS  79  -2.946  10.474  10.474
  552   1HD   LYS  79          2HD       LYS  79  -1.186  11.294  11.294
  553   2HD   LYS  79          1HD       LYS  79  -0.712  10.628  10.628
  554   1HE   LYS  79          2HE       LYS  79  -1.771   8.481   8.481
  555   2HE   LYS  79          1HE       LYS  79  -2.239   9.153   9.153
  556   1HZ   LYS  79          1HZ       LYS  79   0.563   9.340   9.340
  557   2HZ   LYS  79          3HZ       LYS  79   0.011   7.888   7.888
  558   3HZ   LYS  79          2HZ       LYS  79  -0.054   9.326   9.326
  559    HA   PRO  80           HA       PRO  80  -8.556   9.228   9.228
  560   1HB   PRO  80          2HB       PRO  80  -7.961   9.177   9.177
  561   2HB   PRO  80          1HB       PRO  80  -8.678  10.588  10.588
  562   1HG   PRO  80          2HG       PRO  80  -5.844  10.075  10.075
  563   2HG   PRO  80          1HG       PRO  80  -6.784  11.573  11.573
  564   1HD   PRO  80          2HD       PRO  80  -4.992  11.092  11.092
  565   2HD   PRO  80          1HD       PRO  80  -6.439  12.090  12.090
  566    H    ASN  81           H        ASN  81  -5.216   8.499   8.499
  567    HA   ASN  81           HA       ASN  81  -5.911   5.661   5.661
  568   1HB   ASN  81          2HB       ASN  81  -3.425   5.621   5.621
  569   2HB   ASN  81          1HB       ASN  81  -4.422   6.656   6.656
  570   1HD2  ASN  81          2HD2      ASN  81  -1.308   8.335   8.335
  571   2HD2  ASN  81          1HD2      ASN  81  -1.463   6.708   6.708
  572    H    SER  82           H        SER  82  -4.994   7.556   7.556
  573    HA   SER  82           HA       SER  82  -3.045   6.092   6.092
  574   1HB   SER  82          2HB       SER  82  -5.639   7.122   7.122
  575   2HB   SER  82          1HB       SER  82  -4.081   6.989   6.989
  576    HG   SER  82           HG       SER  82  -3.319   8.479   8.479
  577    H    ARG  83           H        ARG  83  -3.372   4.501   4.501
  578    HA   ARG  83           HA       ARG  83  -5.724   2.833   2.833
  579   1HB   ARG  83          2HB       ARG  83  -4.001   2.438   2.438
  580   2HB   ARG  83          1HB       ARG  83  -3.748   1.084   1.084
  581   1HG   ARG  83          2HG       ARG  83  -5.559   0.224   0.224
  582   2HG   ARG  83          1HG       ARG  83  -6.426   1.215   1.215
  583   1HD   ARG  83          2HD       ARG  83  -7.236   2.571   2.571
  584   2HD   ARG  83          1HD       ARG  83  -5.651   2.697   2.697
  585    HE   ARG  83           HE       ARG  83  -6.871   0.058   0.058
  586   1HH1  ARG  83          1HH1      ARG  83  -5.068   1.877   1.877
  587   2HH1  ARG  83          2HH1      ARG  83  -6.132   2.033   2.033
  588   1HH2  ARG  83          1HH2      ARG  83  -8.908   0.842   0.842
  589   2HH2  ARG  83          2HH2      ARG  83  -8.305   1.446   1.446
  590    H    LEU  84           H        LEU  84  -5.203   0.842   0.842
  591    HA   LEU  84           HA       LEU  84  -3.008   1.461   1.461
  592   1HB   LEU  84          2HB       LEU  84  -5.681   0.427   0.427
  593   2HB   LEU  84          1HB       LEU  84  -4.588  -0.837  -0.837
  594    HG   LEU  84           HG       LEU  84  -4.738   2.011   2.011
  595   1HD1  LEU  84          1HD1      LEU  84  -5.709  -0.649  -0.649
  596   2HD1  LEU  84          3HD1      LEU  84  -4.989   0.381   0.381
  597   3HD1  LEU  84          2HD1      LEU  84  -6.382   0.960   0.960
  598   1HD2  LEU  84          2HD2      LEU  84  -2.481   0.420   0.420
  599   2HD2  LEU  84          1HD2      LEU  84  -2.723   1.718   1.718
  600   3HD2  LEU  84          3HD2      LEU  84  -3.093   0.053   0.053
  601    H    SER  85           H        SER  85  -1.236   0.010   0.010
  602    HA   SER  85           HA       SER  85  -0.246  -1.439  -1.439
  603   1HB   SER  85          2HB       SER  85  -0.061  -2.475  -2.475
  604   2HB   SER  85          1HB       SER  85   1.143  -2.558  -2.558
  605    HG   SER  85           HG       SER  85   1.641  -0.885  -0.885
  606    H    CYS  86           H        CYS  86  -2.823  -2.431  -2.431
  607    HA   CYS  86           HA       CYS  86  -2.924  -5.135  -5.135
  608   1HB   CYS  86          2HB       CYS  86  -4.477  -4.356  -4.356
  609   2HB   CYS  86          1HB       CYS  86  -3.731  -5.893  -5.893
  610    H    GLN  87           H        GLN  87  -3.936  -2.992  -2.992
  611    HA   GLN  87           HA       GLN  87  -6.844  -3.514  -3.514
  612   1HB   GLN  87          2HB       GLN  87  -5.259  -1.025  -1.025
  613   2HB   GLN  87          1HB       GLN  87  -6.679  -1.077  -1.077
  614   1HG   GLN  87          2HG       GLN  87  -6.647  -1.580  -1.580
  615   2HG   GLN  87          1HG       GLN  87  -7.280  -0.143  -0.143
  616   1HE2  GLN  87          2HE2      GLN  87  -9.429  -3.632  -3.632
  617   2HE2  GLN  87          1HE2      GLN  87  -7.791  -3.652  -3.652
  618    H    ILE  88           H        ILE  88  -4.048  -2.941  -2.941
  619    HA   ILE  88           HA       ILE  88  -5.677  -3.417  -3.417
  620    HB   ILE  88           HB       ILE  88  -2.748  -3.263  -3.263
  621   1HG1  ILE  88          2HG1      ILE  88  -4.313  -1.072  -1.072
  622   2HG1  ILE  88          1HG1      ILE  88  -2.770  -1.771  -1.771
  623   1HG2  ILE  88          1HG2      ILE  88  -4.851  -2.930  -2.930
  624   2HG2  ILE  88          3HG2      ILE  88  -4.618  -1.253  -1.253
  625   3HG2  ILE  88          2HG2      ILE  88  -3.300  -2.136  -2.136
  626   1HD1  ILE  88          2HD1      ILE  88  -1.702  -0.795  -0.795
  627   2HD1  ILE  88          1HD1      ILE  88  -3.245  -0.088  -0.088
  628   3HD1  ILE  88          3HD1      ILE  88  -2.444   0.458   0.458
  629    H    ILE  89           H        ILE  89  -5.315  -5.177  -5.177
  630    HA   ILE  89           HA       ILE  89  -3.968  -7.524  -7.524
  631    HB   ILE  89           HB       ILE  89  -6.307  -7.136  -7.136
  632   1HG1  ILE  89          2HG1      ILE  89  -6.937  -7.040  -7.040
  633   2HG1  ILE  89          1HG1      ILE  89  -7.354  -8.665  -8.665
  634   1HG2  ILE  89          3HG2      ILE  89  -4.838  -8.953  -8.953
  635   2HG2  ILE  89          2HG2      ILE  89  -4.969  -9.762  -9.762
  636   3HG2  ILE  89          1HG2      ILE  89  -6.401  -9.550  -9.550
  637   1HD1  ILE  89          1HD1      ILE  89  -5.041  -9.375  -9.375
  638   2HD1  ILE  89          3HD1      ILE  89  -4.976  -7.807  -7.807
  639   3HD1  ILE  89          2HD1      ILE  89  -6.237  -8.964  -8.964
  640    H    MET  90           H        MET  90  -2.733  -8.909  -8.909
  641    HA   MET  90           HA       MET  90  -1.636  -7.365  -7.365
  642   1HB   MET  90          2HB       MET  90  -0.457  -8.502  -8.502
  643   2HB   MET  90          1HB       MET  90  -0.160  -9.704  -9.704
  644   1HG   MET  90          2HG       MET  90   1.653  -8.024  -8.024
  645   2HG   MET  90          1HG       MET  90   0.783  -7.966  -7.966
  646   1HE   MET  90          1HE       MET  90   0.609  -6.222  -6.222
  647   2HE   MET  90          3HE       MET  90  -1.042  -5.737  -5.737
  648   3HE   MET  90          2HE       MET  90   0.268  -4.558  -4.558
  649    H    THR  91           H        THR  91  -2.504  -8.075  -8.075
  650    HA   THR  91           HA       THR  91  -3.144 -10.985 -10.985
  651    HB   THR  91           HB       THR  91  -4.250  -9.753  -9.753
  652    HG1  THR  91          1HG       THR  91  -4.625  -7.826  -7.826
  653   1HG2  THR  91          3HG2      THR  91  -5.373  -9.795  -9.795
  654   2HG2  THR  91          2HG2      THR  91  -6.328  -9.610  -9.610
  655   3HG2  THR  91          1HG2      THR  91  -5.455 -11.113 -11.113
  656    HA   PRO  92           HA       PRO  92  -0.016 -11.493 -11.493
  657   1HB   PRO  92          2HB       PRO  92  -1.265 -12.878 -12.878
  658   2HB   PRO  92          1HB       PRO  92  -0.845 -13.602 -13.602
  659   1HG   PRO  92          2HG       PRO  92  -3.468 -12.616 -12.616
  660   2HG   PRO  92          1HG       PRO  92  -3.095 -14.005 -14.005
  661   1HD   PRO  92          2HD       PRO  92  -4.066 -11.612 -11.612
  662   2HD   PRO  92          1HD       PRO  92  -3.116 -12.751 -12.751
  663    H    GLU  93           H        GLU  93  -2.611  -9.472  -9.472
  664    HA   GLU  93           HA       GLU  93  -1.580  -8.636  -8.636
  665   1HB   GLU  93          2HB       GLU  93  -3.864  -7.450  -7.450
  666   2HB   GLU  93          1HB       GLU  93  -3.897  -9.212  -9.212
  667   1HG   GLU  93          2HG       GLU  93  -4.583  -9.396  -9.396
  668   2HG   GLU  93          1HG       GLU  93  -3.982  -7.792  -7.792
  669    H    LEU  94           H        LEU  94  -2.273  -7.560  -7.560
  670    HA   LEU  94           HA       LEU  94  -1.493  -4.764  -4.764
  671   1HB   LEU  94          2HB       LEU  94  -2.282  -6.071  -6.071
  672   2HB   LEU  94          1HB       LEU  94  -2.283  -4.351  -4.351
  673    HG   LEU  94           HG       LEU  94  -4.144  -6.495  -6.495
  674   1HD1  LEU  94          3HD1      LEU  94  -4.642  -5.031  -5.031
  675   2HD1  LEU  94          2HD1      LEU  94  -4.660  -3.653  -3.653
  676   3HD1  LEU  94          1HD1      LEU  94  -5.842  -4.947  -4.947
  677   1HD2  LEU  94          2HD2      LEU  94  -3.195  -5.310  -5.310
  678   2HD2  LEU  94          1HD2      LEU  94  -4.919  -4.985  -4.985
  679   3HD2  LEU  94          3HD2      LEU  94  -3.723  -3.779  -3.779
  680    H    ASP  95           H        ASP  95   0.627  -6.360  -6.360
  681    HA   ASP  95           HA       ASP  95   2.229  -6.408  -6.408
  682   1HB   ASP  95          2HB       ASP  95   3.775  -7.730  -7.730
  683   2HB   ASP  95          1HB       ASP  95   2.227  -8.471  -8.471
  684    H    GLY  96           H        GLY  96   4.164  -5.353  -5.353
  685   1HA   GLY  96          2HA       GLY  96   6.019  -3.969  -3.969
  686   2HA   GLY  96          1HA       GLY  96   4.951  -3.428  -3.428
  687    H    ILE  97           H        ILE  97   3.589  -3.839  -3.839
  688    HA   ILE  97           HA       ILE  97   2.640  -1.152  -1.152
  689    HB   ILE  97           HB       ILE  97   1.221  -2.770  -2.770
  690   1HG1  ILE  97          2HG1      ILE  97   1.007  -2.267  -2.267
  691   2HG1  ILE  97          1HG1      ILE  97   2.680  -1.711  -1.711
  692   1HG2  ILE  97          3HG2      ILE  97   3.737  -3.999  -3.999
  693   2HG2  ILE  97          2HG2      ILE  97   2.546  -4.068  -4.068
  694   3HG2  ILE  97          1HG2      ILE  97   2.172  -4.751  -4.751
  695   1HD1  ILE  97          3HD1      ILE  97   1.797  -0.141  -0.141
  696   2HD1  ILE  97          2HD1      ILE  97   0.280  -0.369  -0.369
  697   3HD1  ILE  97          1HD1      ILE  97   1.673   0.325   0.325
  698    H    VAL  98           H        VAL  98   3.423   0.623   0.623
  699    HA   VAL  98           HA       VAL  98   5.864   0.401   0.401
  700    HB   VAL  98           HB       VAL  98   4.660   2.839   2.839
  701   1HG1  VAL  98          2HG1      VAL  98   7.386   2.139   2.139
  702   2HG1  VAL  98          1HG1      VAL  98   7.100   3.551   3.551
  703   3HG1  VAL  98          3HG1      VAL  98   6.293   3.411   3.411
  704   1HG2  VAL  98          3HG2      VAL  98   5.135   1.000   1.000
  705   2HG2  VAL  98          2HG2      VAL  98   6.151   2.422   2.422
  706   3HG2  VAL  98          1HG2      VAL  98   6.809   0.990   0.990
  707    H    VAL  99           H        VAL  99   5.464   0.676   0.676
  708    HA   VAL  99           HA       VAL  99   2.890   1.980   1.980
  709    HB   VAL  99           HB       VAL  99   4.781   0.736   0.736
  710   1HG1  VAL  99          2HG1      VAL  99   1.897   1.224   1.224
  711   2HG1  VAL  99          1HG1      VAL  99   2.317  -0.334  -0.334
  712   3HG1  VAL  99          3HG1      VAL  99   2.926   1.171   1.171
  713   1HG2  VAL  99          2HG2      VAL  99   3.750  -0.652  -0.652
  714   2HG2  VAL  99          1HG2      VAL  99   4.992  -1.122  -1.122
  715   3HG2  VAL  99          3HG2      VAL  99   3.293  -1.416  -1.416
  716    H    ASP 100           H        ASP 100   3.331   2.890   2.890
  717    HA   ASP 100           HA       ASP 100   5.863   4.238   4.238
  718   1HB   ASP 100          2HB       ASP 100   3.391   5.761   5.761
  719   2HB   ASP 100          1HB       ASP 100   4.755   6.540   6.540
  720    H    VAL 101           H        VAL 101   6.104   4.798   4.798
  721    HA   VAL 101           HA       VAL 101   3.755   4.171   4.171
  722    HB   VAL 101           HB       VAL 101   6.743   4.299   4.299
  723   1HG1  VAL 101          2HG1      VAL 101   4.739   5.015   5.015
  724   2HG1  VAL 101          1HG1      VAL 101   5.610   3.564   3.564
  725   3HG1  VAL 101          3HG1      VAL 101   6.497   5.047   5.047
  726   1HG2  VAL 101          2HG2      VAL 101   5.629   2.196   2.196
  727   2HG2  VAL 101          1HG2      VAL 101   6.396   2.002   2.002
  728   3HG2  VAL 101          3HG2      VAL 101   4.647   2.202   2.202
  729    HA   PRO 102           HA       PRO 102   3.363   8.672   8.672
  730   1HB   PRO 102          2HB       PRO 102   0.881   8.630   8.630
  731   2HB   PRO 102          1HB       PRO 102   1.171   8.356   8.356
  732   1HG   PRO 102          2HG       PRO 102   0.710   6.369   6.369
  733   2HG   PRO 102          1HG       PRO 102   0.066   6.411   6.411
  734   1HD   PRO 102          2HD       PRO 102   2.123   4.824   4.824
  735   2HD   PRO 102          1HD       PRO 102   1.989   5.560   5.560
  736    H    ASP 103           H        ASP 103   5.050   8.666   8.666
  737    HA   ASP 103           HA       ASP 103   3.706   8.785   8.785
  738   1HB   ASP 103          2HB       ASP 103   5.685   7.191   7.191
  739   2HB   ASP 103          1HB       ASP 103   6.674   8.647   8.647
  740    H    ARG 104           H        ARG 104   3.547  11.013  11.013
  741    HA   ARG 104           HA       ARG 104   5.538  12.972  12.972
  742   1HB   ARG 104          2HB       ARG 104   3.632  14.569  14.569
  743   2HB   ARG 104          1HB       ARG 104   3.791  13.235  13.235
  744   1HG   ARG 104          2HG       ARG 104   1.444  13.508  13.508
  745   2HG   ARG 104          1HG       ARG 104   2.031  11.994  11.994
  746   1HD   ARG 104          2HD       ARG 104   2.336  14.372  14.372
  747   2HD   ARG 104          1HD       ARG 104   0.673  13.820  13.820
  748    HE   ARG 104           HE       ARG 104   2.727  11.790  11.790
  749   1HH1  ARG 104          1HH2      ARG 104   0.355  10.476  10.476
  750   2HH1  ARG 104          2HH2      ARG 104  -0.297  10.855  10.855
  751   1HH2  ARG 104          1HH1      ARG 104   1.705  13.650  13.650
  752   2HH2  ARG 104          2HH1      ARG 104   0.467  12.651  12.651
  753    H    GLN 105           H        GLN 105   4.659  15.218  15.218
  754    HA   GLN 105           HA       GLN 105   4.265  14.427  14.427
  755   1HB   GLN 105          2HB       GLN 105   6.156  16.204  16.204
  756   2HB   GLN 105          1HB       GLN 105   5.540  16.828  16.828
  757   1HG   GLN 105          2HG       GLN 105   6.621  15.239  15.239
  758   2HG   GLN 105          1HG       GLN 105   6.393  13.986  13.986
  759   1HE2  GLN 105          2HE2      GLN 105   9.756  16.311  16.311
  760   2HE2  GLN 105          1HE2      GLN 105   8.474  16.704  16.704
  761    H    TRP 106           H        TRP 106   2.972  16.118  16.118
  762    HA   TRP 106           HA       TRP 106   1.569  18.144  18.144
  763   1HB   TRP 106          2HB       TRP 106   1.583  17.518  17.518
  764   2HB   TRP 106          1HB       TRP 106   0.818  18.926  18.926
  765    HD1  TRP 106           HD       TRP 106   3.857  18.066  18.066
  766    HE1  TRP 106          1HE       TRP 106   5.791  19.662  19.662
  767    HE3  TRP 106          3HE       TRP 106   1.909  20.291  20.291
  768    HZ2  TRP 106          2HZ       TRP 106   6.429  21.624  21.624
  769    HZ3  TRP 106          3HZ       TRP 106   3.198  22.020  22.020
  770    HH2  TRP 106           HH       TRP 106   5.454  22.688  22.688

  Start of MODEL    4
    1   1H    SER   1          2HT       SER   1   3.280 -11.555 -11.555
    2   2H    SER   1          1HT       SER   1   1.674 -11.073 -11.073
    3   3H    SER   1          3HT       SER   1   2.140 -11.657 -11.657
    4    HA   SER   1           HA       SER   1   3.052  -9.703  -9.703
    5   1HB   SER   1          2HB       SER   1   1.772  -7.996  -7.996
    6   2HB   SER   1          1HB       SER   1   1.081  -8.631  -8.631
    7    HG   SER   1           HG       SER   1  -0.283  -9.344  -9.344
    8    H    LYS   2           H        LYS   2   4.675  -8.149  -8.149
    9    HA   LYS   2           HA       LYS   2   6.299  -8.494  -8.494
   10   1HB   LYS   2          2HB       LYS   2   6.949  -8.286  -8.286
   11   2HB   LYS   2          1HB       LYS   2   6.857  -6.556  -6.556
   12   1HG   LYS   2          2HG       LYS   2   8.768  -6.582  -6.582
   13   2HG   LYS   2          1HG       LYS   2   8.320  -8.074  -8.074
   14   1HD   LYS   2          2HD       LYS   2   9.418  -7.897  -7.897
   15   2HD   LYS   2          1HD       LYS   2  10.333  -8.400  -8.400
   16   1HE   LYS   2          2HE       LYS   2   8.295 -10.114 -10.114
   17   2HE   LYS   2          1HE       LYS   2   8.209  -9.877  -9.877
   18   1HZ   LYS   2          1HZ       LYS   2  10.824 -10.050 -10.050
   19   2HZ   LYS   2          3HZ       LYS   2  10.357 -11.020 -11.020
   20   3HZ   LYS   2          2HZ       LYS   2   9.852 -11.420 -11.420
   21    H    VAL   3           H        VAL   3   6.350  -6.955  -6.955
   22    HA   VAL   3           HA       VAL   3   4.927  -4.380  -4.380
   23    HB   VAL   3           HB       VAL   3   4.889  -6.283  -6.283
   24   1HG1  VAL   3          3HG1      VAL   3   4.715  -3.334  -3.334
   25   2HG1  VAL   3          2HG1      VAL   3   3.379  -4.160  -4.160
   26   3HG1  VAL   3          1HG1      VAL   3   5.040  -4.469  -4.469
   27   1HG2  VAL   3          1HG2      VAL   3   3.188  -5.728  -5.728
   28   2HG2  VAL   3          3HG2      VAL   3   2.769  -6.637  -6.637
   29   3HG2  VAL   3          2HG2      VAL   3   2.445  -4.905  -4.905
   30    H    VAL   4           H        VAL   4   5.800  -2.511  -2.511
   31    HA   VAL   4           HA       VAL   4   8.453  -2.755  -2.755
   32    HB   VAL   4           HB       VAL   4   7.839  -1.814  -1.814
   33   1HG1  VAL   4          3HG1      VAL   4   7.411   0.384   0.384
   34   2HG1  VAL   4          2HG1      VAL   4   9.106   0.355   0.355
   35   3HG1  VAL   4          1HG1      VAL   4   8.679   0.433   0.433
   36   1HG2  VAL   4          3HG2      VAL   4  10.185  -2.302  -2.302
   37   2HG2  VAL   4          2HG2      VAL   4   9.871  -2.833  -2.833
   38   3HG2  VAL   4          1HG2      VAL   4  10.455  -1.199  -1.199
   39    H    TYR   5           H        TYR   5   8.528  -1.520  -1.520
   40    HA   TYR   5           HA       TYR   5   6.313   0.450   0.450
   41   1HB   TYR   5          2HB       TYR   5   8.024  -1.015  -1.015
   42   2HB   TYR   5          1HB       TYR   5   6.711   0.066   0.066
   43    HD1  TYR   5          2HD       TYR   5   4.458  -0.425  -0.425
   44    HD2  TYR   5          1HD       TYR   5   7.613  -3.323  -3.323
   45    HE1  TYR   5          2HE       TYR   5   2.798  -2.239  -2.239
   46    HE2  TYR   5          1HE       TYR   5   5.968  -5.102  -5.102
   47    HH   TYR   5           HH       TYR   5   2.938  -4.807  -4.807
   48    H    VAL   6           H        VAL   6   6.860   2.474   2.474
   49    HA   VAL   6           HA       VAL   6   9.704   3.296   3.296
   50    HB   VAL   6           HB       VAL   6   7.383   5.145   5.145
   51   1HG1  VAL   6          3HG1      VAL   6   9.789   5.915   5.915
   52   2HG1  VAL   6          2HG1      VAL   6  10.192   5.150   5.150
   53   3HG1  VAL   6          1HG1      VAL   6   9.042   6.487   6.487
   54   1HG2  VAL   6          2HG2      VAL   6   8.405   2.981   2.981
   55   2HG2  VAL   6          1HG2      VAL   6   6.862   3.834   3.834
   56   3HG2  VAL   6          3HG2      VAL   6   8.294   4.562   4.562
   57    H    SER   7           H        SER   7  10.253   4.801   4.801
   58    HA   SER   7           HA       SER   7   8.260   4.856   4.856
   59   1HB   SER   7          2HB       SER   7  10.394   5.099   5.099
   60   2HB   SER   7          1HB       SER   7  10.205   3.555   3.555
   61    HG   SER   7           HG       SER   7  11.466   5.654   5.654
   62    H    HIS   8           H        HIS   8   7.812   6.829   6.829
   63    HA   HIS   8           HA       HIS   8   7.871   9.224   9.224
   64   1HB   HIS   8          2HB       HIS   8   7.972  10.175  10.175
   65   2HB   HIS   8          1HB       HIS   8   6.623   9.161   9.161
   66    HD1  HIS   8          1HD       HIS   8   6.152   7.363   7.363
   67    HD2  HIS   8          2HD       HIS   8  10.178   8.381   8.381
   68    HE1  HIS   8          1HE       HIS   8   7.207   5.843   5.843
   69    H    ASP   9           H        ASP   9  10.621   7.710   7.710
   70    HA   ASP   9           HA       ASP   9  12.224  10.194  10.194
   71   1HB   ASP   9          2HB       ASP   9  13.737   9.050   9.050
   72   2HB   ASP   9          1HB       ASP   9  12.161   8.458   8.458
   73    H    GLY  10           H        GLY  10  11.395   7.764   7.764
   74   1HA   GLY  10          2HA       GLY  10  12.356   7.910   7.910
   75   2HA   GLY  10          1HA       GLY  10  13.927   8.179   8.179
   76    H    THR  11           H        THR  11  13.542   6.013   6.013
   77    HA   THR  11           HA       THR  11  14.778   3.882   3.882
   78    HB   THR  11           HB       THR  11  13.590   4.519   4.519
   79    HG1  THR  11          1HG       THR  11  15.546   3.868   3.868
   80   1HG2  THR  11          2HG2      THR  11  11.867   2.781   2.781
   81   2HG2  THR  11          1HG2      THR  11  13.180   1.608   1.608
   82   3HG2  THR  11          3HG2      THR  11  12.660   2.462   2.462
   83    H    ARG  12           H        ARG  12  14.068   2.132   2.132
   84    HA   ARG  12           HA       ARG  12  11.140   1.950   1.950
   85   1HB   ARG  12          2HB       ARG  12  13.586   2.169   2.169
   86   2HB   ARG  12          1HB       ARG  12  12.363   1.036   1.036
   87   1HG   ARG  12          2HG       ARG  12  10.677   2.961   2.961
   88   2HG   ARG  12          1HG       ARG  12  12.101   4.003   4.003
   89   1HD   ARG  12          2HD       ARG  12  12.104   2.140   2.140
   90   2HD   ARG  12          1HD       ARG  12  10.749   3.288   3.288
   91    HE   ARG  12           HE       ARG  12  12.641   5.031   5.031
   92   1HH1  ARG  12          1HH1      ARG  12  15.128   4.161   4.161
   93   2HH1  ARG  12          2HH1      ARG  12  15.443   3.928   3.928
   94   1HH2  ARG  12          1HH2      ARG  12  12.093   3.885   3.885
   95   2HH2  ARG  12          2HH2      ARG  12  13.725   3.771   3.771
   96    H    ARG  13           H        ARG  13  10.318  -0.055  -0.055
   97    HA   ARG  13           HA       ARG  13  12.202  -2.351  -2.351
   98   1HB   ARG  13          2HB       ARG  13  10.470  -1.448  -1.448
   99   2HB   ARG  13          1HB       ARG  13   9.281  -2.280  -2.280
  100   1HG   ARG  13          2HG       ARG  13   9.787  -4.101  -4.101
  101   2HG   ARG  13          1HG       ARG  13  11.231  -4.190  -4.190
  102   1HD   ARG  13          2HD       ARG  13  11.996  -4.262  -4.262
  103   2HD   ARG  13          1HD       ARG  13  12.346  -2.623  -2.623
  104    HE   ARG  13           HE       ARG  13   9.823  -3.235  -3.235
  105   1HH1  ARG  13          1HH2      ARG  13  11.812  -0.842  -0.842
  106   2HH1  ARG  13          2HH2      ARG  13  11.787   0.170   0.170
  107   1HH2  ARG  13          1HH1      ARG  13  10.142  -2.158  -2.158
  108   2HH2  ARG  13          2HH1      ARG  13  10.842  -0.574  -0.574
  109    H    GLU  14           H        GLU  14  11.546  -4.445  -4.445
  110    HA   GLU  14           HA       GLU  14   9.604  -4.178  -4.178
  111   1HB   GLU  14          2HB       GLU  14  12.445  -4.552  -4.552
  112   2HB   GLU  14          1HB       GLU  14  11.696  -6.046  -6.046
  113   1HG   GLU  14          2HG       GLU  14  10.193  -4.273  -4.273
  114   2HG   GLU  14          1HG       GLU  14  11.684  -3.340  -3.340
  115    H    LEU  15           H        LEU  15   8.163  -5.842  -5.842
  116    HA   LEU  15           HA       LEU  15   8.677  -8.276  -8.276
  117   1HB   LEU  15          2HB       LEU  15   6.270  -6.531  -6.531
  118   2HB   LEU  15          1HB       LEU  15   6.051  -8.224  -8.224
  119    HG   LEU  15           HG       LEU  15   7.404  -6.056  -6.056
  120   1HD1  LEU  15          1HD1      LEU  15   4.839  -7.092  -7.092
  121   2HD1  LEU  15          3HD1      LEU  15   5.645  -8.051  -8.051
  122   3HD1  LEU  15          2HD1      LEU  15   5.598  -6.295  -6.295
  123   1HD2  LEU  15          3HD2      LEU  15   8.825  -8.084  -8.084
  124   2HD2  LEU  15          2HD2      LEU  15   8.061  -7.726  -7.726
  125   3HD2  LEU  15          1HD2      LEU  15   7.402  -9.013  -9.013
  126    H    ASP  16           H        ASP  16   8.231 -10.216 -10.216
  127    HA   ASP  16           HA       ASP  16   7.439 -10.184 -10.184
  128   1HB   ASP  16          2HB       ASP  16   8.606 -12.380 -12.380
  129   2HB   ASP  16          1HB       ASP  16   8.432 -12.446 -12.446
  130    H    VAL  17           H        VAL  17   5.200  -9.745  -9.745
  131    HA   VAL  17           HA       VAL  17   3.861 -11.845 -11.845
  132    HB   VAL  17           HB       VAL  17   3.167  -9.080  -9.080
  133   1HG1  VAL  17          3HG1      VAL  17   1.411 -11.108 -11.108
  134   2HG1  VAL  17          2HG1      VAL  17   1.029  -9.389  -9.389
  135   3HG1  VAL  17          1HG1      VAL  17   1.119 -10.357 -10.357
  136   1HG2  VAL  17          2HG2      VAL  17   4.159 -10.274 -10.274
  137   2HG2  VAL  17          1HG2      VAL  17   4.172  -8.588  -8.588
  138   3HG2  VAL  17          3HG2      VAL  17   2.737  -9.262  -9.262
  139    H    ALA  18           H        ALA  18   1.635 -12.512 -12.512
  140    HA   ALA  18           HA       ALA  18   1.762 -12.887 -12.887
  141   1HB   ALA  18          2HB       ALA  18   2.400 -14.875 -14.875
  142   2HB   ALA  18          1HB       ALA  18   0.814 -14.826 -14.826
  143   3HB   ALA  18          3HB       ALA  18   0.943 -15.156 -15.156
  144    H    ASP  19           H        ASP  19  -0.715 -14.430 -14.430
  145    HA   ASP  19           HA       ASP  19  -2.624 -12.199 -12.199
  146   1HB   ASP  19          2HB       ASP  19  -3.798 -13.608 -13.608
  147   2HB   ASP  19          1HB       ASP  19  -2.128 -14.106 -14.106
  148    H    GLY  20           H        GLY  20  -3.894 -11.822 -11.822
  149   1HA   GLY  20          2HA       GLY  20  -5.666 -12.681 -12.681
  150   2HA   GLY  20          1HA       GLY  20  -4.680 -14.125 -14.125
  151    H    VAL  21           H        VAL  21  -2.391 -11.857 -11.857
  152    HA   VAL  21           HA       VAL  21  -2.462 -11.654 -11.654
  153    HB   VAL  21           HB       VAL  21  -0.393 -11.302 -11.302
  154   1HG1  VAL  21          3HG1      VAL  21  -0.077 -10.633 -10.633
  155   2HG1  VAL  21          2HG1      VAL  21   1.244 -10.733 -10.733
  156   3HG1  VAL  21          1HG1      VAL  21   0.005  -9.493  -9.493
  157   1HG2  VAL  21          2HG2      VAL  21  -1.145 -13.376 -13.376
  158   2HG2  VAL  21          1HG2      VAL  21   0.014 -13.457 -13.457
  159   3HG2  VAL  21          3HG2      VAL  21   0.534 -12.890 -12.890
  160    H    SER  22           H        SER  22  -1.595  -9.595  -9.595
  161    HA   SER  22           HA       SER  22  -2.646  -7.180  -7.180
  162   1HB   SER  22          2HB       SER  22  -2.601  -6.708  -6.708
  163   2HB   SER  22          1HB       SER  22  -4.028  -7.063  -7.063
  164    HG   SER  22           HG       SER  22  -3.654  -8.505  -8.505
  165    H    LEU  23           H        LEU  23  -1.361  -5.115  -5.115
  166    HA   LEU  23           HA       LEU  23   1.472  -5.766  -5.766
  167   1HB   LEU  23          2HB       LEU  23   0.442  -3.061  -3.061
  168   2HB   LEU  23          1HB       LEU  23   1.826  -3.480  -3.480
  169    HG   LEU  23           HG       LEU  23  -1.030  -3.592  -3.592
  170   1HD1  LEU  23          2HD1      LEU  23   0.738  -1.485  -1.485
  171   2HD1  LEU  23          1HD1      LEU  23   0.985  -2.140  -2.140
  172   3HD1  LEU  23          3HD1      LEU  23  -0.624  -1.629  -1.629
  173   1HD2  LEU  23          1HD2      LEU  23   1.544  -4.559  -4.559
  174   2HD2  LEU  23          3HD2      LEU  23   0.066  -5.487  -5.487
  175   3HD2  LEU  23          2HD2      LEU  23   0.104  -4.222  -4.222
  176    H    MET  24           H        MET  24  -0.858  -5.961  -5.961
  177    HA   MET  24           HA       MET  24   0.826  -5.182  -5.182
  178   1HB   MET  24          2HB       MET  24  -1.334  -4.838  -4.838
  179   2HB   MET  24          1HB       MET  24  -1.959  -5.979  -5.979
  180   1HG   MET  24          2HG       MET  24  -2.271  -7.503  -7.503
  181   2HG   MET  24          1HG       MET  24  -0.577  -7.445  -7.445
  182   1HE   MET  24          3HE       MET  24   0.051  -4.920  -4.920
  183   2HE   MET  24          2HE       MET  24  -1.003  -3.773  -3.773
  184   3HE   MET  24          1HE       MET  24   0.047  -4.820  -4.820
  185    H    GLN  25           H        GLN  25  -0.904  -8.177  -8.177
  186    HA   GLN  25           HA       GLN  25   0.477  -9.827  -9.827
  187   1HB   GLN  25          2HB       GLN  25  -1.104 -11.114 -11.114
  188   2HB   GLN  25          1HB       GLN  25  -1.283  -9.941  -9.941
  189   1HG   GLN  25          2HG       GLN  25   0.595 -11.068 -11.068
  190   2HG   GLN  25          1HG       GLN  25   0.606 -12.305 -12.305
  191   1HE2  GLN  25          2HE2      GLN  25  -2.974 -12.057 -12.057
  192   2HE2  GLN  25          1HE2      GLN  25  -2.260 -10.635 -10.635
  193    H    ALA  26           H        ALA  26   1.555  -9.505  -9.505
  194    HA   ALA  26           HA       ALA  26   3.920 -11.062 -11.062
  195   1HB   ALA  26          1HB       ALA  26   3.207  -8.795  -8.795
  196   2HB   ALA  26          3HB       ALA  26   4.832  -9.509  -9.509
  197   3HB   ALA  26          2HB       ALA  26   3.401 -10.510 -10.510
  198    H    ALA  27           H        ALA  27   3.570  -7.516  -7.516
  199    HA   ALA  27           HA       ALA  27   6.102  -6.733  -6.733
  200   1HB   ALA  27          1HB       ALA  27   4.212  -5.332  -5.332
  201   2HB   ALA  27          3HB       ALA  27   3.389  -5.565  -5.565
  202   3HB   ALA  27          2HB       ALA  27   4.909  -4.678  -4.678
  203    H    VAL  28           H        VAL  28   3.213  -7.113  -7.113
  204    HA   VAL  28           HA       VAL  28   4.156  -6.770  -6.770
  205    HB   VAL  28           HB       VAL  28   2.337  -8.777  -8.777
  206   1HG1  VAL  28          2HG1      VAL  28   3.441  -8.966  -8.966
  207   2HG1  VAL  28          1HG1      VAL  28   1.711  -8.634  -8.634
  208   3HG1  VAL  28          3HG1      VAL  28   2.291 -10.044 -10.044
  209   1HG2  VAL  28          1HG2      VAL  28   2.139  -6.100  -6.100
  210   2HG2  VAL  28          3HG2      VAL  28   1.054  -6.955  -6.955
  211   3HG2  VAL  28          2HG2      VAL  28   0.918  -7.209  -7.209
  212    H    SER  29           H        SER  29   3.991 -10.092 -10.092
  213    HA   SER  29           HA       SER  29   5.792 -11.363 -11.363
  214   1HB   SER  29          2HB       SER  29   6.209 -12.268 -12.268
  215   2HB   SER  29          1HB       SER  29   5.233 -13.025 -13.025
  216    HG   SER  29           HG       SER  29   4.104 -12.392 -12.392
  217    H    ASN  30           H        ASN  30   6.490  -9.749  -9.749
  218    HA   ASN  30           HA       ASN  30   9.305 -10.153 -10.153
  219   1HB   ASN  30          2HB       ASN  30   7.230  -8.458  -8.458
  220   2HB   ASN  30          1HB       ASN  30   8.840  -7.751  -7.751
  221   1HD2  ASN  30          2HD2      ASN  30   7.992 -10.981 -10.981
  222   2HD2  ASN  30          1HD2      ASN  30   6.841 -10.351 -10.351
  223    H    GLY  31           H        GLY  31   7.396  -8.396  -8.396
  224   1HA   GLY  31          2HA       GLY  31   8.136  -7.207  -7.207
  225   2HA   GLY  31          1HA       GLY  31   9.772  -7.218  -7.218
  226    H    ILE  32           H        ILE  32   8.033  -6.161  -6.161
  227    HA   ILE  32           HA       ILE  32   8.930  -3.509  -3.509
  228    HB   ILE  32           HB       ILE  32   6.176  -4.387  -4.387
  229   1HG1  ILE  32          2HG1      ILE  32   8.914  -5.091  -5.091
  230   2HG1  ILE  32          1HG1      ILE  32   7.526  -6.149  -6.149
  231   1HG2  ILE  32          1HG2      ILE  32   6.952  -1.969  -1.969
  232   2HG2  ILE  32          3HG2      ILE  32   8.187  -2.567  -2.567
  233   3HG2  ILE  32          2HG2      ILE  32   6.479  -2.762  -2.762
  234   1HD1  ILE  32          3HD1      ILE  32   6.346  -4.799  -4.799
  235   2HD1  ILE  32          2HD1      ILE  32   7.920  -4.086  -4.086
  236   3HD1  ILE  32          1HD1      ILE  32   7.679  -5.823  -5.823
  237    H    TYR  33           H        TYR  33   6.198  -4.963  -4.963
  238    HA   TYR  33           HA       TYR  33   6.053  -2.650  -2.650
  239   1HB   TYR  33          2HB       TYR  33   3.415  -3.814  -3.814
  240   2HB   TYR  33          1HB       TYR  33   3.885  -2.120  -2.120
  241    HD1  TYR  33          2HD       TYR  33   5.563  -1.505  -1.505
  242    HD2  TYR  33          1HD       TYR  33   2.407  -4.396  -4.396
  243    HE1  TYR  33          2HE       TYR  33   5.254  -1.320  -1.320
  244    HE2  TYR  33          1HE       TYR  33   2.091  -4.222  -4.222
  245    HH   TYR  33           HH       TYR  33   2.636  -3.070  -3.070
  246    H    ASP  34           H        ASP  34   6.589  -3.735  -3.735
  247    HA   ASP  34           HA       ASP  34   6.149  -6.536  -6.536
  248   1HB   ASP  34          2HB       ASP  34   6.824  -5.889  -5.889
  249   2HB   ASP  34          1HB       ASP  34   7.887  -5.173  -5.173
  250    H    ILE  35           H        ILE  35   3.747  -5.749  -5.749
  251    HA   ILE  35           HA       ILE  35   1.947  -5.235  -5.235
  252    HB   ILE  35           HB       ILE  35   1.892  -3.804  -3.804
  253   1HG1  ILE  35          2HG1      ILE  35  -0.650  -4.582  -4.582
  254   2HG1  ILE  35          1HG1      ILE  35  -0.397  -5.414  -5.414
  255   1HG2  ILE  35          2HG2      ILE  35   2.330  -6.146  -6.146
  256   2HG2  ILE  35          1HG2      ILE  35   0.607  -5.902  -5.902
  257   3HG2  ILE  35          3HG2      ILE  35   1.755  -4.656  -4.656
  258   1HD1  ILE  35          1HD1      ILE  35   0.272  -2.489  -2.489
  259   2HD1  ILE  35          3HD1      ILE  35  -1.322  -3.030  -3.030
  260   3HD1  ILE  35          2HD1      ILE  35   0.097  -3.377  -3.377
  261    H    VAL  36           H        VAL  36   1.183  -7.112  -7.112
  262    HA   VAL  36           HA       VAL  36   0.751  -9.487  -9.487
  263    HB   VAL  36           HB       VAL  36   1.379  -9.110  -9.110
  264   1HG1  VAL  36          3HG1      VAL  36  -0.128 -11.237 -11.237
  265   2HG1  VAL  36          2HG1      VAL  36   1.385 -11.857 -11.857
  266   3HG1  VAL  36          1HG1      VAL  36   0.248 -11.008 -11.008
  267   1HG2  VAL  36          3HG2      VAL  36   2.829  -9.855  -9.855
  268   2HG2  VAL  36          2HG2      VAL  36   3.458  -9.320  -9.320
  269   3HG2  VAL  36          1HG2      VAL  36   3.050 -11.018 -11.018
  270    H    GLY  37           H        GLY  37  -0.596  -8.795  -8.795
  271   1HA   GLY  37          2HA       GLY  37  -3.239  -9.650  -9.650
  272   2HA   GLY  37          1HA       GLY  37  -2.820  -9.137  -9.137
  273    H    ASP  38           H        ASP  38  -2.721  -7.511  -7.511
  274    HA   ASP  38           HA       ASP  38  -4.304  -5.287  -5.287
  275   1HB   ASP  38          2HB       ASP  38  -2.273  -5.104  -5.104
  276   2HB   ASP  38          1HB       ASP  38  -2.953  -3.777  -3.777
  277    H    CYS  39           H        CYS  39  -3.413  -6.386  -6.386
  278    HA   CYS  39           HA       CYS  39  -6.286  -5.968  -5.968
  279   1HB   CYS  39          2HB       CYS  39  -5.178  -5.959  -5.959
  280   2HB   CYS  39          1HB       CYS  39  -5.022  -4.523  -4.523
  281    H    GLY  40           H        GLY  40  -3.491  -8.068  -8.068
  282   1HA   GLY  40          2HA       GLY  40  -3.512 -10.270 -10.270
  283   2HA   GLY  40          1HA       GLY  40  -4.629 -10.545 -10.545
  284    H    GLY  41           H        GLY  41  -4.980  -8.621  -8.621
  285   1HA   GLY  41          2HA       GLY  41  -6.466  -8.952  -8.952
  286   2HA   GLY  41          1HA       GLY  41  -6.954 -10.488 -10.488
  287    H    SER  42           H        SER  42  -6.947  -7.619  -7.619
  288    HA   SER  42           HA       SER  42  -9.942  -7.630  -7.630
  289   1HB   SER  42          2HB       SER  42  -8.660  -8.433  -8.433
  290   2HB   SER  42          1HB       SER  42  -8.145  -6.761  -6.761
  291    HG   SER  42           HG       SER  42 -10.703  -7.905  -7.905
  292    H    ALA  43           H        ALA  43  -7.041  -5.600  -5.600
  293    HA   ALA  43           HA       ALA  43  -6.744  -3.368  -3.368
  294   1HB   ALA  43          1HB       ALA  43  -8.526  -4.307  -4.307
  295   2HB   ALA  43          3HB       ALA  43  -9.649  -3.314  -3.314
  296   3HB   ALA  43          2HB       ALA  43  -8.280  -2.564  -2.564
  297    H    SER  44           H        SER  44  -6.950  -3.476  -3.476
  298    HA   SER  44           HA       SER  44  -8.895  -1.307  -1.307
  299   1HB   SER  44          2HB       SER  44  -8.683  -2.691  -2.691
  300   2HB   SER  44          1HB       SER  44  -9.886  -3.081  -3.081
  301    HG   SER  44           HG       SER  44  -8.817  -4.840  -4.840
  302    H    CYS  45           H        CYS  45  -5.765  -1.738  -1.738
  303    HA   CYS  45           HA       CYS  45  -4.867  -0.417  -0.417
  304   1HB   CYS  45          2HB       CYS  45  -2.637  -1.374  -1.374
  305   2HB   CYS  45          1HB       CYS  45  -3.217  -1.914  -1.914
  306    H    ALA  46           H        ALA  46  -4.282   1.634   1.634
  307    HA   ALA  46           HA       ALA  46  -3.955   3.072   3.072
  308   1HB   ALA  46          2HB       ALA  46  -4.982   3.844   3.844
  309   2HB   ALA  46          1HB       ALA  46  -3.316   4.047   4.047
  310   3HB   ALA  46          3HB       ALA  46  -3.922   4.981   4.981
  311    H    THR  47           H        THR  47  -1.949   0.995   0.995
  312    HA   THR  47           HA       THR  47   0.530   2.603   2.603
  313    HB   THR  47           HB       THR  47   1.439   0.306   0.306
  314    HG1  THR  47          1HG       THR  47  -0.372  -0.903  -0.903
  315   1HG2  THR  47          1HG2      THR  47  -0.642   1.798   1.798
  316   2HG2  THR  47          3HG2      THR  47   0.559   0.691   0.691
  317   3HG2  THR  47          2HG2      THR  47   1.074   2.192   2.192
  318    H    CYS  48           H        CYS  48  -1.230   0.238   0.238
  319    HA   CYS  48           HA       CYS  48   1.141  -0.291  -0.291
  320   1HB   CYS  48          2HB       CYS  48  -1.457  -1.475  -1.475
  321   2HB   CYS  48          1HB       CYS  48   0.100  -2.218  -2.218
  322    H    HIS  49           H        HIS  49  -0.744   2.282   2.282
  323    HA   HIS  49           HA       HIS  49  -2.100   2.620   2.620
  324   1HB   HIS  49          2HB       HIS  49  -1.907   4.242   4.242
  325   2HB   HIS  49          1HB       HIS  49  -0.303   4.668   4.668
  326    HD1  HIS  49          1HD       HIS  49  -1.603   7.111   7.111
  327    HD2  HIS  49          2HD       HIS  49  -2.657   4.048   4.048
  328    HE1  HIS  49          1HE       HIS  49  -2.770   8.204   8.204
  329    H    VAL  50           H        VAL  50  -1.399   2.886   2.886
  330    HA   VAL  50           HA       VAL  50   1.513   3.276   3.276
  331    HB   VAL  50           HB       VAL  50   1.325   1.416   1.416
  332   1HG1  VAL  50          2HG1      VAL  50   1.105   1.029   1.029
  333   2HG1  VAL  50          1HG1      VAL  50   1.120  -0.391  -0.391
  334   3HG1  VAL  50          3HG1      VAL  50   2.476   0.737   0.737
  335   1HG2  VAL  50          2HG2      VAL  50  -1.246   1.629   1.629
  336   2HG2  VAL  50          1HG2      VAL  50  -0.566   0.002   0.002
  337   3HG2  VAL  50          3HG2      VAL  50  -1.154   0.629   0.629
  338    H    TYR  51           H        TYR  51   1.924   3.960   3.960
  339    HA   TYR  51           HA       TYR  51  -0.454   5.218   5.218
  340   1HB   TYR  51          2HB       TYR  51   2.328   6.067   6.067
  341   2HB   TYR  51          1HB       TYR  51   1.596   6.733   6.733
  342    HD1  TYR  51          2HD       TYR  51  -1.002   5.964   5.964
  343    HD2  TYR  51          1HD       TYR  51   2.094   8.871   8.871
  344    HE1  TYR  51          2HE       TYR  51  -2.270   7.642   7.642
  345    HE2  TYR  51          1HE       TYR  51   0.800  10.553  10.553
  346    HH   TYR  51           HH       TYR  51  -1.838   9.713   9.713
  347    H    VAL  52           H        VAL  52  -0.893   3.971   3.971
  348    HA   VAL  52           HA       VAL  52   1.261   2.541   2.541
  349    HB   VAL  52           HB       VAL  52  -1.679   2.772   2.772
  350   1HG1  VAL  52          3HG1      VAL  52   0.142   1.727   1.727
  351   2HG1  VAL  52          2HG1      VAL  52   0.151   0.412   0.412
  352   3HG1  VAL  52          1HG1      VAL  52  -1.334   0.804   0.804
  353   1HG2  VAL  52          1HG2      VAL  52  -0.440   1.620   1.620
  354   2HG2  VAL  52          3HG2      VAL  52  -2.150   1.645   1.645
  355   3HG2  VAL  52          2HG2      VAL  52  -1.109   0.339   0.339
  356    H    ASN  53           H        ASN  53   1.496   2.979   2.979
  357    HA   ASN  53           HA       ASN  53   1.477   5.893   5.893
  358   1HB   ASN  53          2HB       ASN  53   2.540   5.158   5.158
  359   2HB   ASN  53          1HB       ASN  53   3.312   4.349   4.349
  360   1HD2  ASN  53          2HD2      ASN  53   2.044   1.192   1.192
  361   2HD2  ASN  53          1HD2      ASN  53   2.829   2.101   2.101
  362    H    GLU  54           H        GLU  54  -0.029   6.942   6.942
  363    HA   GLU  54           HA       GLU  54  -2.615   6.106   6.106
  364   1HB   GLU  54          2HB       GLU  54  -2.601   7.746   7.746
  365   2HB   GLU  54          1HB       GLU  54  -1.712   8.345   8.345
  366   1HG   GLU  54          2HG       GLU  54   0.317   7.129   7.129
  367   2HG   GLU  54          1HG       GLU  54  -0.689   7.474   7.474
  368    H    ALA  55           H        ALA  55   0.207   4.912   4.912
  369    HA   ALA  55           HA       ALA  55  -1.201   3.937   3.937
  370   1HB   ALA  55          2HB       ALA  55   1.445   4.133   4.133
  371   2HB   ALA  55          1HB       ALA  55   1.176   2.450   2.450
  372   3HB   ALA  55          3HB       ALA  55   0.956   3.729   3.729
  373    H    PHE  56           H        PHE  56   0.091   2.180   2.180
  374    HA   PHE  56           HA       PHE  56  -1.352  -0.250  -0.250
  375   1HB   PHE  56          2HB       PHE  56   0.449   0.542   0.542
  376   2HB   PHE  56          1HB       PHE  56  -0.280  -1.054  -1.054
  377    HD1  PHE  56          1HD       PHE  56   1.822   1.379   1.379
  378    HD2  PHE  56          2HD       PHE  56   0.730  -2.793  -2.793
  379    HE1  PHE  56          1HE       PHE  56   3.522   0.741   0.741
  380    HE2  PHE  56          2HE       PHE  56   2.430  -3.373  -3.373
  381    HZ   PHE  56           HZ       PHE  56   3.828  -1.632  -1.632
  382    H    THR  57           H        THR  57  -2.272   2.539   2.539
  383    HA   THR  57           HA       THR  57  -3.968   1.241   1.241
  384    HB   THR  57           HB       THR  57  -4.577   3.474   3.474
  385    HG1  THR  57          1HG       THR  57  -4.802   4.994   4.994
  386   1HG2  THR  57          1HG2      THR  57  -1.818   2.914   2.914
  387   2HG2  THR  57          3HG2      THR  57  -2.169   4.628   4.628
  388   3HG2  THR  57          2HG2      THR  57  -2.480   3.854   3.854
  389    H    ASP  58           H        ASP  58  -4.556   3.076   3.076
  390    HA   ASP  58           HA       ASP  58  -7.377   2.663   2.663
  391   1HB   ASP  58          2HB       ASP  58  -6.971   4.177   4.177
  392   2HB   ASP  58          1HB       ASP  58  -5.247   3.852   3.852
  393    H    LYS  59           H        LYS  59  -4.828   0.459   0.459
  394    HA   LYS  59           HA       LYS  59  -6.093  -1.381  -1.381
  395   1HB   LYS  59          2HB       LYS  59  -4.028  -1.967  -1.967
  396   2HB   LYS  59          1HB       LYS  59  -4.217  -2.766  -2.766
  397   1HG   LYS  59          2HG       LYS  59  -3.341   0.115   0.115
  398   2HG   LYS  59          1HG       LYS  59  -2.288  -1.232  -1.232
  399   1HD   LYS  59          2HD       LYS  59  -2.741  -0.421  -0.421
  400   2HD   LYS  59          1HD       LYS  59  -4.075  -1.562  -1.562
  401   1HE   LYS  59          2HE       LYS  59  -5.646   0.136   0.136
  402   2HE   LYS  59          1HE       LYS  59  -4.401   1.295   1.295
  403   1HZ   LYS  59          1HZ       LYS  59  -3.480   1.116   1.116
  404   2HZ   LYS  59          3HZ       LYS  59  -4.857   0.229   0.229
  405   3HZ   LYS  59          2HZ       LYS  59  -5.014   1.842   1.842
  406    H    VAL  60           H        VAL  60  -5.278  -1.313  -1.313
  407    HA   VAL  60           HA       VAL  60  -6.877  -3.604  -3.604
  408    HB   VAL  60           HB       VAL  60  -4.518  -2.423  -2.423
  409   1HG1  VAL  60          3HG1      VAL  60  -5.730  -0.493  -0.493
  410   2HG1  VAL  60          2HG1      VAL  60  -6.234  -1.572  -1.572
  411   3HG1  VAL  60          1HG1      VAL  60  -4.520  -1.245  -1.245
  412   1HG2  VAL  60          3HG2      VAL  60  -6.209  -4.127  -4.127
  413   2HG2  VAL  60          2HG2      VAL  60  -4.988  -4.634  -4.634
  414   3HG2  VAL  60          1HG2      VAL  60  -4.503  -3.783  -3.783
  415    HA   PRO  61           HA       PRO  61 -10.532  -1.345  -1.345
  416   1HB   PRO  61          2HB       PRO  61 -11.439  -2.946  -2.946
  417   2HB   PRO  61          1HB       PRO  61 -11.596  -3.347  -3.347
  418   1HG   PRO  61          2HG       PRO  61  -9.544  -4.261  -4.261
  419   2HG   PRO  61          1HG       PRO  61 -10.421  -5.202  -5.202
  420   1HD   PRO  61          2HD       PRO  61  -7.899  -4.411  -4.411
  421   2HD   PRO  61          1HD       PRO  61  -9.091  -4.433  -4.433
  422    H    ALA  62           H        ALA  62 -11.518  -0.222  -0.222
  423    HA   ALA  62           HA       ALA  62  -9.574   1.122   1.122
  424   1HB   ALA  62          2HB       ALA  62 -11.966   1.623   1.623
  425   2HB   ALA  62          1HB       ALA  62 -12.411   1.682   1.682
  426   3HB   ALA  62          3HB       ALA  62 -11.138   2.738   2.738
  427    H    ALA  63           H        ALA  63 -10.896   1.721   1.721
  428    HA   ALA  63           HA       ALA  63 -11.125  -0.897  -0.897
  429   1HB   ALA  63          1HB       ALA  63  -9.271   0.766   0.766
  430   2HB   ALA  63          3HB       ALA  63 -10.521   1.861   1.861
  431   3HB   ALA  63          2HB       ALA  63 -10.253   0.319   0.319
  432    H    ASN  64           H        ASN  64 -12.552  -0.704  -0.704
  433    HA   ASN  64           HA       ASN  64 -15.097   0.645   0.645
  434   1HB   ASN  64          2HB       ASN  64 -16.069  -0.957  -0.957
  435   2HB   ASN  64          1HB       ASN  64 -15.077  -1.795  -1.795
  436   1HD2  ASN  64          2HD2      ASN  64 -14.071  -3.065  -3.065
  437   2HD2  ASN  64          1HD2      ASN  64 -15.498  -3.084  -3.084
  438    H    GLU  65           H        GLU  65 -16.118   0.545   0.545
  439    HA   GLU  65           HA       GLU  65 -15.221   3.133   3.133
  440   1HB   GLU  65          2HB       GLU  65 -16.953   2.790   2.790
  441   2HB   GLU  65          1HB       GLU  65 -17.513   1.973   1.973
  442   1HG   GLU  65          2HG       GLU  65 -17.800   0.162   0.162
  443   2HG   GLU  65          1HG       GLU  65 -16.044   0.002   0.002
  444    H    ARG  66           H        ARG  66 -14.166  -0.132  -0.132
  445    HA   ARG  66           HA       ARG  66 -13.085   0.133   0.133
  446   1HB   ARG  66          2HB       ARG  66 -13.153  -1.745  -1.745
  447   2HB   ARG  66          1HB       ARG  66 -11.469  -1.545  -1.545
  448   1HG   ARG  66          2HG       ARG  66 -13.799  -2.438  -2.438
  449   2HG   ARG  66          1HG       ARG  66 -12.277  -3.275  -3.275
  450   1HD   ARG  66          2HD       ARG  66 -11.626  -2.399  -2.399
  451   2HD   ARG  66          1HD       ARG  66 -11.427  -0.882  -0.882
  452    HE   ARG  66           HE       ARG  66 -14.165  -1.066  -1.066
  453   1HH1  ARG  66          1HH2      ARG  66 -11.697   0.757   0.757
  454   2HH1  ARG  66          2HH2      ARG  66 -12.091   0.827   0.827
  455   1HH2  ARG  66          1HH1      ARG  66 -14.452  -1.706  -1.706
  456   2HH2  ARG  66          2HH1      ARG  66 -13.650  -0.569  -0.569
  457    H    GLU  67           H        GLU  67 -11.543   0.429   0.429
  458    HA   GLU  67           HA       GLU  67  -8.979   1.291   1.291
  459   1HB   GLU  67          2HB       GLU  67  -9.411   0.387   0.387
  460   2HB   GLU  67          1HB       GLU  67 -10.599   1.644   1.644
  461   1HG   GLU  67          2HG       GLU  67  -8.098   2.858   2.858
  462   2HG   GLU  67          1HG       GLU  67  -7.821   1.707   1.707
  463    H    ILE  68           H        ILE  68 -11.886   2.965   2.965
  464    HA   ILE  68           HA       ILE  68 -10.756   5.605   5.605
  465    HB   ILE  68           HB       ILE  68 -13.391   4.396   4.396
  466   1HG1  ILE  68          2HG1      ILE  68 -14.104   5.330   5.330
  467   2HG1  ILE  68          1HG1      ILE  68 -12.760   6.469   6.469
  468   1HG2  ILE  68          1HG2      ILE  68 -13.062   6.421   6.421
  469   2HG2  ILE  68          3HG2      ILE  68 -12.914   7.385   7.385
  470   3HG2  ILE  68          2HG2      ILE  68 -14.422   6.538   6.538
  471   1HD1  ILE  68          1HD1      ILE  68 -12.309   3.482   3.482
  472   2HD1  ILE  68          3HD1      ILE  68 -12.574   4.407   4.407
  473   3HD1  ILE  68          2HD1      ILE  68 -11.185   4.761   4.761
  474    H    GLY  69           H        GLY  69 -11.065   3.564   3.564
  475   1HA   GLY  69          2HA       GLY  69 -10.803   5.850   5.850
  476   2HA   GLY  69          1HA       GLY  69 -10.960   4.162   4.162
  477    H    MET  70           H        MET  70  -9.025   2.778   2.778
  478    HA   MET  70           HA       MET  70  -6.690   3.769   3.769
  479   1HB   MET  70          2HB       MET  70  -5.764   1.860   1.860
  480   2HB   MET  70          1HB       MET  70  -6.202   1.563   1.563
  481   1HG   MET  70          2HG       MET  70  -7.354   0.035   0.035
  482   2HG   MET  70          1HG       MET  70  -8.519   1.075   1.075
  483   1HE   MET  70          3HE       MET  70  -7.549  -0.688  -0.688
  484   2HE   MET  70          2HE       MET  70  -8.919  -0.413  -0.413
  485   3HE   MET  70          1HE       MET  70  -7.312   0.163   0.163
  486    H    LEU  71           H        LEU  71  -7.623   3.913   3.913
  487    HA   LEU  71           HA       LEU  71  -5.076   4.741   4.741
  488   1HB   LEU  71          2HB       LEU  71  -7.205   3.739   3.739
  489   2HB   LEU  71          1HB       LEU  71  -7.856   5.382   5.382
  490    HG   LEU  71           HG       LEU  71  -5.629   4.288   4.288
  491   1HD1  LEU  71          3HD1      LEU  71  -8.253   5.460   5.460
  492   2HD1  LEU  71          2HD1      LEU  71  -7.049   6.415   6.415
  493   3HD1  LEU  71          1HD1      LEU  71  -7.224   4.693   4.693
  494   1HD2  LEU  71          3HD2      LEU  71  -5.897   7.151   7.151
  495   2HD2  LEU  71          2HD2      LEU  71  -4.483   6.103   6.103
  496   3HD2  LEU  71          1HD2      LEU  71  -4.997   6.685   6.685
  497    H    GLU  72           H        GLU  72  -7.804   6.368   6.368
  498    HA   GLU  72           HA       GLU  72  -6.808   9.067   9.067
  499   1HB   GLU  72          2HB       GLU  72  -9.067   9.271   9.271
  500   2HB   GLU  72          1HB       GLU  72  -9.211   7.726   7.726
  501   1HG   GLU  72          2HG       GLU  72  -9.066   8.686   8.686
  502   2HG   GLU  72          1HG       GLU  72  -8.119  10.066  10.066
  503    H    CYS  73           H        CYS  73  -6.718   6.754   6.754
  504    HA   CYS  73           HA       CYS  73  -6.082   8.363   8.363
  505   1HB   CYS  73          2HB       CYS  73  -5.727   5.629   5.629
  506   2HB   CYS  73          1HB       CYS  73  -4.332   6.144   6.144
  507    HG   CYS  73           HG       CYS  73  -7.196   5.788   5.788
  508    H    VAL  74           H        VAL  74  -3.887   7.199   7.199
  509    HA   VAL  74           HA       VAL  74  -1.674   8.836   8.836
  510    HB   VAL  74           HB       VAL  74  -0.485   7.766   7.766
  511   1HG1  VAL  74          3HG1      VAL  74  -0.576   6.846   6.846
  512   2HG1  VAL  74          2HG1      VAL  74  -1.875   5.787   5.787
  513   3HG1  VAL  74          1HG1      VAL  74  -0.266   5.651   5.651
  514   1HG2  VAL  74          3HG2      VAL  74  -2.753   7.427   7.427
  515   2HG2  VAL  74          2HG2      VAL  74  -1.582   6.110   6.110
  516   3HG2  VAL  74          1HG2      VAL  74  -2.939   6.015   6.015
  517    H    THR  75           H        THR  75  -3.168  10.789  10.789
  518    HA   THR  75           HA       THR  75  -3.984  11.751  11.751
  519    HB   THR  75           HB       THR  75  -4.291  12.792  12.792
  520    HG1  THR  75          1HG       THR  75  -4.260  14.834  14.834
  521   1HG2  THR  75          1HG2      THR  75  -1.440  12.655  12.655
  522   2HG2  THR  75          3HG2      THR  75  -1.896  14.356  14.356
  523   3HG2  THR  75          2HG2      THR  75  -2.496  13.209  13.209
  524    H    ALA  76           H        ALA  76  -2.394  10.996  10.996
  525    HA   ALA  76           HA       ALA  76   0.116  12.639  12.639
  526   1HB   ALA  76          1HB       ALA  76  -0.555   9.873   9.873
  527   2HB   ALA  76          3HB       ALA  76   0.954  10.709  10.709
  528   3HB   ALA  76          2HB       ALA  76   0.569  10.270  10.270
  529    H    GLU  77           H        GLU  77  -1.710  14.161  14.161
  530    HA   GLU  77           HA       GLU  77  -2.822  15.044  15.044
  531   1HB   GLU  77          2HB       GLU  77  -1.197  15.564  15.564
  532   2HB   GLU  77          1HB       GLU  77  -0.330  15.531  15.531
  533   1HG   GLU  77          2HG       GLU  77  -0.475  12.964  12.964
  534   2HG   GLU  77          1HG       GLU  77   0.551  14.227  14.227
  535    H    LEU  78           H        LEU  78  -3.772  12.591  12.591
  536    HA   LEU  78           HA       LEU  78  -3.841  10.388  10.388
  537   1HB   LEU  78          2HB       LEU  78  -5.693  12.049  12.049
  538   2HB   LEU  78          1HB       LEU  78  -6.394  11.729  11.729
  539    HG   LEU  78           HG       LEU  78  -6.150   9.324   9.324
  540   1HD1  LEU  78          3HD1      LEU  78  -4.238  10.159  10.159
  541   2HD1  LEU  78          2HD1      LEU  78  -5.473   9.211   9.211
  542   3HD1  LEU  78          1HD1      LEU  78  -4.598   8.518   8.518
  543   1HD2  LEU  78          2HD2      LEU  78  -7.533  10.970  10.970
  544   2HD2  LEU  78          1HD2      LEU  78  -8.219   9.903   9.903
  545   3HD2  LEU  78          3HD2      LEU  78  -7.481   9.223   9.223
  546    H    LYS  79           H        LYS  79  -4.096   9.639   9.639
  547    HA   LYS  79           HA       LYS  79  -4.334  11.702  11.702
  548   1HB   LYS  79          2HB       LYS  79  -3.181   8.943   8.943
  549   2HB   LYS  79          1HB       LYS  79  -2.779  10.426  10.426
  550   1HG   LYS  79          2HG       LYS  79  -2.152  10.807  10.807
  551   2HG   LYS  79          1HG       LYS  79  -1.437   9.289   9.289
  552   1HD   LYS  79          2HD       LYS  79   0.221  10.566  10.566
  553   2HD   LYS  79          1HD       LYS  79  -0.921  10.955  10.955
  554   1HE   LYS  79          2HE       LYS  79  -1.783  12.826  12.826
  555   2HE   LYS  79          1HE       LYS  79  -0.326  12.547  12.547
  556   1HZ   LYS  79          1HZ       LYS  79  -0.340  13.044  13.044
  557   2HZ   LYS  79          3HZ       LYS  79   0.046  14.209  14.209
  558   3HZ   LYS  79          2HZ       LYS  79   1.035  12.841  12.841
  559    HA   PRO  80           HA       PRO  80  -7.881   9.588   9.588
  560   1HB   PRO  80          2HB       PRO  80  -7.387   9.302   9.302
  561   2HB   PRO  80          1HB       PRO  80  -7.815  10.858  10.858
  562   1HG   PRO  80          2HG       PRO  80  -5.141   9.801   9.801
  563   2HG   PRO  80          1HG       PRO  80  -5.801  11.438  11.438
  564   1HD   PRO  80          2HD       PRO  80  -4.065  10.750  10.750
  565   2HD   PRO  80          1HD       PRO  80  -5.312  11.997  11.997
  566    H    ASN  81           H        ASN  81  -4.749   8.266   8.266
  567    HA   ASN  81           HA       ASN  81  -5.897   5.549   5.549
  568   1HB   ASN  81          2HB       ASN  81  -3.534   5.106   5.106
  569   2HB   ASN  81          1HB       ASN  81  -4.341   6.374   6.374
  570   1HD2  ASN  81          2HD2      ASN  81  -0.960   7.628   7.628
  571   2HD2  ASN  81          1HD2      ASN  81  -1.504   6.307   6.307
  572    H    SER  82           H        SER  82  -4.550   7.440   7.440
  573    HA   SER  82           HA       SER  82  -2.807   5.811   5.811
  574   1HB   SER  82          2HB       SER  82  -5.160   7.496   7.496
  575   2HB   SER  82          1HB       SER  82  -3.852   6.970   6.970
  576    HG   SER  82           HG       SER  82  -2.623   7.972   7.972
  577    H    ARG  83           H        ARG  83  -3.125   4.209   4.209
  578    HA   ARG  83           HA       ARG  83  -5.707   3.162   3.162
  579   1HB   ARG  83          2HB       ARG  83  -4.615   2.415   2.415
  580   2HB   ARG  83          1HB       ARG  83  -4.580   0.993   0.993
  581   1HG   ARG  83          2HG       ARG  83  -6.781   0.727   0.727
  582   2HG   ARG  83          1HG       ARG  83  -7.060   2.273   2.273
  583   1HD   ARG  83          2HD       ARG  83  -7.938   2.864   2.864
  584   2HD   ARG  83          1HD       ARG  83  -6.234   3.105   3.105
  585    HE   ARG  83           HE       ARG  83  -6.873   0.333   0.333
  586   1HH1  ARG  83          1HH2      ARG  83  -8.137   3.243   3.243
  587   2HH1  ARG  83          2HH2      ARG  83  -8.122   2.701   2.701
  588   1HH2  ARG  83          1HH1      ARG  83  -6.575  -0.314  -0.314
  589   2HH2  ARG  83          2HH1      ARG  83  -7.238   0.688   0.688
  590    H    LEU  84           H        LEU  84  -5.505   1.197   1.197
  591    HA   LEU  84           HA       LEU  84  -3.040   1.134   1.134
  592   1HB   LEU  84          2HB       LEU  84  -5.800   0.428   0.428
  593   2HB   LEU  84          1HB       LEU  84  -4.865  -1.044  -1.044
  594    HG   LEU  84           HG       LEU  84  -4.660   1.527   1.527
  595   1HD1  LEU  84          1HD1      LEU  84  -5.963  -1.004  -1.004
  596   2HD1  LEU  84          3HD1      LEU  84  -4.702  -0.898  -0.898
  597   3HD1  LEU  84          2HD1      LEU  84  -5.952   0.348   0.348
  598   1HD2  LEU  84          3HD2      LEU  84  -2.507  -0.083  -0.083
  599   2HD2  LEU  84          2HD2      LEU  84  -2.551   0.995   0.995
  600   3HD2  LEU  84          1HD2      LEU  84  -2.975  -0.711  -0.711
  601    H    SER  85           H        SER  85  -1.426  -0.458  -0.458
  602    HA   SER  85           HA       SER  85  -0.772  -1.957  -1.957
  603   1HB   SER  85          2HB       SER  85  -0.539  -2.821  -2.821
  604   2HB   SER  85          1HB       SER  85   0.445  -3.401  -3.401
  605    HG   SER  85           HG       SER  85   1.593  -1.648  -1.648
  606    H    CYS  86           H        CYS  86  -3.155  -2.540  -2.540
  607    HA   CYS  86           HA       CYS  86  -3.879  -5.253  -5.253
  608   1HB   CYS  86          2HB       CYS  86  -5.702  -4.643  -4.643
  609   2HB   CYS  86          1HB       CYS  86  -4.107  -5.274  -5.274
  610    H    GLN  87           H        GLN  87  -4.444  -3.009  -3.009
  611    HA   GLN  87           HA       GLN  87  -7.420  -3.245  -3.245
  612   1HB   GLN  87          2HB       GLN  87  -6.431  -0.994  -0.994
  613   2HB   GLN  87          1HB       GLN  87  -5.849  -0.898  -0.898
  614   1HG   GLN  87          2HG       GLN  87  -8.077   0.211   0.211
  615   2HG   GLN  87          1HG       GLN  87  -8.111  -1.079  -1.079
  616   1HE2  GLN  87          2HE2      GLN  87  -9.457  -2.460  -2.460
  617   2HE2  GLN  87          1HE2      GLN  87  -7.886  -1.834  -1.834
  618    H    ILE  88           H        ILE  88  -4.607  -2.795  -2.795
  619    HA   ILE  88           HA       ILE  88  -6.255  -3.466  -3.466
  620    HB   ILE  88           HB       ILE  88  -3.307  -3.027  -3.027
  621   1HG1  ILE  88          2HG1      ILE  88  -5.361  -0.885  -0.885
  622   2HG1  ILE  88          1HG1      ILE  88  -3.936  -1.301  -1.301
  623   1HG2  ILE  88          2HG2      ILE  88  -5.337  -3.258  -3.258
  624   2HG2  ILE  88          1HG2      ILE  88  -5.147  -1.511  -1.511
  625   3HG2  ILE  88          3HG2      ILE  88  -3.768  -2.515  -2.515
  626   1HD1  ILE  88          3HD1      ILE  88  -3.755  -0.333  -0.333
  627   2HD1  ILE  88          2HD1      ILE  88  -3.697   0.762   0.762
  628   3HD1  ILE  88          1HD1      ILE  88  -2.452  -0.469  -0.469
  629    H    ILE  89           H        ILE  89  -5.692  -5.140  -5.140
  630    HA   ILE  89           HA       ILE  89  -4.224  -7.424  -7.424
  631    HB   ILE  89           HB       ILE  89  -6.546  -7.150  -7.150
  632   1HG1  ILE  89          2HG1      ILE  89  -7.234  -7.159  -7.159
  633   2HG1  ILE  89          1HG1      ILE  89  -7.528  -8.794  -8.794
  634   1HG2  ILE  89          2HG2      ILE  89  -4.925  -8.835  -8.835
  635   2HG2  ILE  89          1HG2      ILE  89  -5.050  -9.696  -9.696
  636   3HG2  ILE  89          3HG2      ILE  89  -6.461  -9.551  -9.551
  637   1HD1  ILE  89          1HD1      ILE  89  -5.196  -9.374  -9.374
  638   2HD1  ILE  89          3HD1      ILE  89  -5.250  -7.826  -7.826
  639   3HD1  ILE  89          2HD1      ILE  89  -6.442  -9.073  -9.073
  640    H    MET  90           H        MET  90  -2.956  -8.733  -8.733
  641    HA   MET  90           HA       MET  90  -1.873  -7.008  -7.008
  642   1HB   MET  90          2HB       MET  90  -0.618  -8.085  -8.085
  643   2HB   MET  90          1HB       MET  90  -0.448  -9.423  -9.423
  644   1HG   MET  90          2HG       MET  90   1.473  -7.879  -7.879
  645   2HG   MET  90          1HG       MET  90   0.544  -7.901  -7.901
  646   1HE   MET  90          3HE       MET  90   0.599  -6.379  -6.379
  647   2HE   MET  90          2HE       MET  90  -0.422  -4.954  -4.954
  648   3HE   MET  90          1HE       MET  90   1.320  -4.815  -4.815
  649    H    THR  91           H        THR  91  -2.722  -7.621  -7.621
  650    HA   THR  91           HA       THR  91  -3.564 -10.431 -10.431
  651    HB   THR  91           HB       THR  91  -4.106  -9.072  -9.072
  652    HG1  THR  91          1HG       THR  91  -4.422  -7.119  -7.119
  653   1HG2  THR  91          2HG2      THR  91  -5.657  -8.926  -8.926
  654   2HG2  THR  91          1HG2      THR  91  -6.327  -8.616  -8.616
  655   3HG2  THR  91          3HG2      THR  91  -5.745 -10.229 -10.229
  656    HA   PRO  92           HA       PRO  92  -0.088 -11.510 -11.510
  657   1HB   PRO  92          2HB       PRO  92  -1.212 -12.941 -12.941
  658   2HB   PRO  92          1HB       PRO  92  -1.086 -13.556 -13.556
  659   1HG   PRO  92          2HG       PRO  92  -3.428 -12.403 -12.403
  660   2HG   PRO  92          1HG       PRO  92  -3.354 -13.721 -13.721
  661   1HD   PRO  92          2HD       PRO  92  -4.160 -11.167 -11.167
  662   2HD   PRO  92          1HD       PRO  92  -3.483 -12.302 -12.302
  663    H    GLU  93           H        GLU  93  -2.728  -9.834  -9.834
  664    HA   GLU  93           HA       GLU  93  -1.046  -9.133  -9.133
  665   1HB   GLU  93          2HB       GLU  93  -3.190  -7.955  -7.955
  666   2HB   GLU  93          1HB       GLU  93  -3.374  -9.685  -9.685
  667   1HG   GLU  93          2HG       GLU  93  -3.714  -8.261  -8.261
  668   2HG   GLU  93          1HG       GLU  93  -4.786  -7.581  -7.581
  669    H    LEU  94           H        LEU  94  -2.180  -7.755  -7.755
  670    HA   LEU  94           HA       LEU  94  -1.252  -5.028  -5.028
  671   1HB   LEU  94          2HB       LEU  94  -2.406  -6.070  -6.070
  672   2HB   LEU  94          1HB       LEU  94  -2.388  -4.409  -4.409
  673    HG   LEU  94           HG       LEU  94  -4.033  -6.731  -6.731
  674   1HD1  LEU  94          1HD1      LEU  94  -4.515  -3.960  -3.960
  675   2HD1  LEU  94          3HD1      LEU  94  -5.740  -4.756  -4.756
  676   3HD1  LEU  94          2HD1      LEU  94  -5.222  -5.485  -5.485
  677   1HD2  LEU  94          2HD2      LEU  94  -2.849  -5.618  -5.618
  678   2HD2  LEU  94          1HD2      LEU  94  -4.607  -5.462  -5.462
  679   3HD2  LEU  94          3HD2      LEU  94  -3.616  -4.103  -4.103
  680    H    ASP  95           H        ASP  95   0.810  -6.762  -6.762
  681    HA   ASP  95           HA       ASP  95   2.108  -6.670  -6.670
  682   1HB   ASP  95          2HB       ASP  95   3.671  -8.246  -8.246
  683   2HB   ASP  95          1HB       ASP  95   2.004  -8.792  -8.792
  684    H    GLY  96           H        GLY  96   4.211  -5.829  -5.829
  685   1HA   GLY  96          2HA       GLY  96   6.194  -4.632  -4.632
  686   2HA   GLY  96          1HA       GLY  96   5.293  -4.160  -4.160
  687    H    ILE  97           H        ILE  97   3.795  -4.043  -4.043
  688    HA   ILE  97           HA       ILE  97   3.094  -1.296  -1.296
  689    HB   ILE  97           HB       ILE  97   1.599  -2.878  -2.878
  690   1HG1  ILE  97          2HG1      ILE  97   2.406  -0.972  -0.972
  691   2HG1  ILE  97          1HG1      ILE  97   1.769  -0.353  -0.353
  692   1HG2  ILE  97          2HG2      ILE  97   3.717  -2.960  -2.960
  693   2HG2  ILE  97          1HG2      ILE  97   2.112  -3.679  -3.679
  694   3HG2  ILE  97          3HG2      ILE  97   3.257  -4.293  -4.293
  695   1HD1  ILE  97          1HD1      ILE  97   0.074  -2.481  -2.481
  696   2HD1  ILE  97          3HD1      ILE  97   0.340  -1.545  -1.545
  697   3HD1  ILE  97          2HD1      ILE  97  -0.301  -0.759  -0.759
  698    H    VAL  98           H        VAL  98   3.442   0.419   0.419
  699    HA   VAL  98           HA       VAL  98   6.036   0.535   0.535
  700    HB   VAL  98           HB       VAL  98   4.607   2.750   2.750
  701   1HG1  VAL  98          2HG1      VAL  98   7.109   2.452   2.452
  702   2HG1  VAL  98          1HG1      VAL  98   7.375   3.089   3.089
  703   3HG1  VAL  98          3HG1      VAL  98   6.280   3.920   3.920
  704   1HG2  VAL  98          2HG2      VAL  98   6.302   0.496   0.496
  705   2HG2  VAL  98          1HG2      VAL  98   4.992   1.364   1.364
  706   3HG2  VAL  98          3HG2      VAL  98   6.594   2.094   2.094
  707    H    VAL  99           H        VAL  99   4.920   0.251   0.251
  708    HA   VAL  99           HA       VAL  99   2.967   2.416   2.416
  709    HB   VAL  99           HB       VAL  99   1.872   0.485   0.485
  710   1HG1  VAL  99          2HG1      VAL  99   4.567  -0.618  -0.618
  711   2HG1  VAL  99          1HG1      VAL  99   3.030  -1.499  -1.499
  712   3HG1  VAL  99          3HG1      VAL  99   3.601  -1.038  -1.038
  713   1HG2  VAL  99          1HG2      VAL  99   3.616   1.056   1.056
  714   2HG2  VAL  99          3HG2      VAL  99   1.973   1.648   1.648
  715   3HG2  VAL  99          2HG2      VAL  99   2.246  -0.072  -0.072
  716    H    ASP 100           H        ASP 100   3.100   3.169   3.169
  717    HA   ASP 100           HA       ASP 100   5.926   3.461   3.461
  718   1HB   ASP 100          2HB       ASP 100   4.134   5.846   5.846
  719   2HB   ASP 100          1HB       ASP 100   5.890   5.803   5.803
  720    H    VAL 101           H        VAL 101   6.028   4.807   4.807
  721    HA   VAL 101           HA       VAL 101   3.790   4.047   4.047
  722    HB   VAL 101           HB       VAL 101   6.625   4.924   4.924
  723   1HG1  VAL 101          2HG1      VAL 101   4.462   4.644   4.644
  724   2HG1  VAL 101          1HG1      VAL 101   5.149   3.022   3.022
  725   3HG1  VAL 101          3HG1      VAL 101   6.133   4.415   4.415
  726   1HG2  VAL 101          1HG2      VAL 101   5.769   2.551   2.551
  727   2HG2  VAL 101          3HG2      VAL 101   7.379   2.921   2.921
  728   3HG2  VAL 101          2HG2      VAL 101   6.205   2.101   2.101
  729    HA   PRO 102           HA       PRO 102   2.991   8.462   8.462
  730   1HB   PRO 102          2HB       PRO 102   0.670   8.386   8.386
  731   2HB   PRO 102          1HB       PRO 102   0.775   7.937   7.937
  732   1HG   PRO 102          2HG       PRO 102   0.712   6.189   6.189
  733   2HG   PRO 102          1HG       PRO 102  -0.099   5.982   5.982
  734   1HD   PRO 102          2HD       PRO 102   2.164   4.648   4.648
  735   2HD   PRO 102          1HD       PRO 102   1.771   5.112   5.112
  736    H    ASP 103           H        ASP 103   3.955   6.620   6.620
  737    HA   ASP 103           HA       ASP 103   3.300   8.111   8.111
  738   1HB   ASP 103          2HB       ASP 103   5.360   6.230   6.230
  739   2HB   ASP 103          1HB       ASP 103   5.930   7.328   7.328
  740    H    ARG 104           H        ARG 104   3.248  10.345  10.345
  741    HA   ARG 104           HA       ARG 104   5.918  11.581  11.581
  742   1HB   ARG 104          2HB       ARG 104   4.526  13.494  13.494
  743   2HB   ARG 104          1HB       ARG 104   4.413  11.992  11.992
  744   1HG   ARG 104          2HG       ARG 104   2.181  12.912  12.912
  745   2HG   ARG 104          1HG       ARG 104   2.308  11.446  11.446
  746   1HD   ARG 104          2HD       ARG 104   3.100  13.956  13.956
  747   2HD   ARG 104          1HD       ARG 104   1.374  13.789  13.789
  748    HE   ARG 104           HE       ARG 104   2.789  11.493  11.493
  749   1HH1  ARG 104          1HH1      ARG 104   1.331  14.358  14.358
  750   2HH1  ARG 104          2HH1      ARG 104   0.154  13.630  13.630
  751   1HH2  ARG 104          1HH2      ARG 104   0.901  10.390  10.390
  752   2HH2  ARG 104          2HH2      ARG 104  -0.088  11.379  11.379
  753    H    GLN 105           H        GLN 105   5.579  14.139  14.139
  754    HA   GLN 105           HA       GLN 105   4.814  13.970  13.970
  755   1HB   GLN 105          2HB       GLN 105   7.266  14.098  14.098
  756   2HB   GLN 105          1HB       GLN 105   6.948  15.676  15.676
  757   1HG   GLN 105          2HG       GLN 105   7.752  15.961  15.961
  758   2HG   GLN 105          1HG       GLN 105   6.067  16.472  16.472
  759   1HE2  GLN 105          2HE2      GLN 105   6.056  14.349  14.349
  760   2HE2  GLN 105          1HE2      GLN 105   6.501  15.921  15.921
  761    H    TRP 106           H        TRP 106   2.794  14.990  14.990
  762    HA   TRP 106           HA       TRP 106   2.768  17.825  17.825
  763   1HB   TRP 106          2HB       TRP 106   1.613  15.666  15.666
  764   2HB   TRP 106          1HB       TRP 106   0.265  16.381  16.381
  765    HD1  TRP 106           HD       TRP 106   0.702  16.578  16.578
  766    HE1  TRP 106          1HE       TRP 106   0.765  18.922  18.922
  767    HE3  TRP 106          3HE       TRP 106   1.834  19.393  19.393
  768    HZ2  TRP 106          2HZ       TRP 106   1.233  21.635  21.635
  769    HZ3  TRP 106          3HZ       TRP 106   2.082  21.853  21.853
  770    HH2  TRP 106           HH       TRP 106   1.783  22.975  22.975

  Start of MODEL    5
    1   1H    SER   1          3HT       SER   1   3.501 -11.229 -11.229
    2   2H    SER   1          2HT       SER   1   2.530 -10.339 -10.339
    3   3H    SER   1          1HT       SER   1   1.842 -11.053 -11.053
    4    HA   SER   1           HA       SER   1   2.972  -9.548  -9.548
    5   1HB   SER   1          2HB       SER   1   1.181  -8.248  -8.248
    6   2HB   SER   1          1HB       SER   1   1.233  -8.798  -8.798
    7    HG   SER   1           HG       SER   1   1.645  -6.486  -6.486
    8    H    LYS   2           H        LYS   2   4.376  -7.606  -7.606
    9    HA   LYS   2           HA       LYS   2   6.748  -7.823  -7.823
   10   1HB   LYS   2          2HB       LYS   2   5.920  -6.635  -6.635
   11   2HB   LYS   2          1HB       LYS   2   7.049  -5.637  -5.637
   12   1HG   LYS   2          2HG       LYS   2   7.952  -8.339  -8.339
   13   2HG   LYS   2          1HG       LYS   2   7.614  -7.987  -7.987
   14   1HD   LYS   2          2HD       LYS   2   9.224  -6.334  -6.334
   15   2HD   LYS   2          1HD       LYS   2   9.088  -5.927  -5.927
   16   1HE   LYS   2          2HE       LYS   2  10.263  -7.997  -7.997
   17   2HE   LYS   2          1HE       LYS   2  10.359  -8.465  -8.465
   18   1HZ   LYS   2          1HZ       LYS   2  11.453  -6.278  -6.278
   19   2HZ   LYS   2          3HZ       LYS   2  11.547  -6.061  -6.061
   20   3HZ   LYS   2          2HZ       LYS   2  12.375  -7.349  -7.349
   21    H    VAL   3           H        VAL   3   6.438  -6.847  -6.847
   22    HA   VAL   3           HA       VAL   3   4.848  -4.313  -4.313
   23    HB   VAL   3           HB       VAL   3   5.340  -6.637  -6.637
   24   1HG1  VAL   3          2HG1      VAL   3   4.901  -3.796  -3.796
   25   2HG1  VAL   3          1HG1      VAL   3   4.199  -5.119  -5.119
   26   3HG1  VAL   3          3HG1      VAL   3   5.946  -5.026  -5.026
   27   1HG2  VAL   3          3HG2      VAL   3   2.952  -4.917  -4.917
   28   2HG2  VAL   3          2HG2      VAL   3   3.305  -6.533  -6.533
   29   3HG2  VAL   3          1HG2      VAL   3   2.891  -6.307  -6.307
   30    H    VAL   4           H        VAL   4   5.839  -2.431  -2.431
   31    HA   VAL   4           HA       VAL   4   8.609  -2.631  -2.631
   32    HB   VAL   4           HB       VAL   4   7.422  -0.728  -0.728
   33   1HG1  VAL   4          3HG1      VAL   4   9.591  -0.343  -0.343
   34   2HG1  VAL   4          2HG1      VAL   4  10.270  -0.543  -0.543
   35   3HG1  VAL   4          1HG1      VAL   4   9.075   0.717   0.717
   36   1HG2  VAL   4          3HG2      VAL   4   8.993  -3.201  -3.201
   37   2HG2  VAL   4          2HG2      VAL   4   7.978  -2.418  -2.418
   38   3HG2  VAL   4          1HG2      VAL   4   9.634  -1.867  -1.867
   39    H    TYR   5           H        TYR   5   8.459  -2.126  -2.126
   40    HA   TYR   5           HA       TYR   5   6.587  -0.139  -0.139
   41   1HB   TYR   5          2HB       TYR   5   8.851  -1.759  -1.759
   42   2HB   TYR   5          1HB       TYR   5   7.712  -0.821  -0.821
   43    HD1  TYR   5          2HD       TYR   5   5.542  -1.548  -1.548
   44    HD2  TYR   5          1HD       TYR   5   8.053  -3.771  -3.771
   45    HE1  TYR   5          2HE       TYR   5   3.845  -3.350  -3.350
   46    HE2  TYR   5          1HE       TYR   5   6.388  -5.565  -5.565
   47    HH   TYR   5           HH       TYR   5   4.112  -6.080  -6.080
   48    H    VAL   6           H        VAL   6   7.025   1.948   1.948
   49    HA   VAL   6           HA       VAL   6   9.940   2.773   2.773
   50    HB   VAL   6           HB       VAL   6   7.612   4.522   4.522
   51   1HG1  VAL   6          3HG1      VAL   6  10.011   5.378   5.378
   52   2HG1  VAL   6          2HG1      VAL   6  10.469   4.574   4.574
   53   3HG1  VAL   6          1HG1      VAL   6   9.278   5.873   5.873
   54   1HG2  VAL   6          3HG2      VAL   6   7.656   2.382   2.382
   55   2HG2  VAL   6          2HG2      VAL   6   7.920   3.832   3.832
   56   3HG2  VAL   6          1HG2      VAL   6   9.286   2.805   2.805
   57    H    SER   7           H        SER   7  10.623   3.940   3.940
   58    HA   SER   7           HA       SER   7   8.736   4.374   4.374
   59   1HB   SER   7          2HB       SER   7  10.704   4.138   4.138
   60   2HB   SER   7          1HB       SER   7  11.553   4.121   4.121
   61    HG   SER   7           HG       SER   7  12.323   5.955   5.955
   62    H    HIS   8           H        HIS   8   9.517   6.803   6.803
   63    HA   HIS   8           HA       HIS   8   8.464   8.686   8.686
   64   1HB   HIS   8          2HB       HIS   8   8.349  10.161  10.161
   65   2HB   HIS   8          1HB       HIS   8   7.173   8.886   8.886
   66    HD1  HIS   8          1HD       HIS   8   6.880   7.432   7.432
   67    HD2  HIS   8          2HD       HIS   8  10.698   9.060   9.060
   68    HE1  HIS   8          1HE       HIS   8   8.034   6.563   6.563
   69    H    ASP   9           H        ASP   9  11.371   7.691   7.691
   70    HA   ASP   9           HA       ASP   9  12.706  10.313  10.313
   71   1HB   ASP   9          2HB       ASP   9  14.436   9.427   9.427
   72   2HB   ASP   9          1HB       ASP   9  12.943   8.847   8.847
   73    H    GLY  10           H        GLY  10  11.999   7.453   7.453
   74   1HA   GLY  10          2HA       GLY  10  12.687   7.317   7.317
   75   2HA   GLY  10          1HA       GLY  10  14.262   7.937   7.937
   76    H    THR  11           H        THR  11  12.845   5.552   5.552
   77    HA   THR  11           HA       THR  11  14.968   3.670   3.670
   78    HB   THR  11           HB       THR  11  13.450   4.396   4.396
   79    HG1  THR  11          1HG       THR  11  15.327   3.907   3.907
   80   1HG2  THR  11          1HG2      THR  11  12.058   2.356   2.356
   81   2HG2  THR  11          3HG2      THR  11  13.494   1.398   1.398
   82   3HG2  THR  11          2HG2      THR  11  12.703   2.313   2.313
   83    H    ARG  12           H        ARG  12  14.407   1.492   1.492
   84    HA   ARG  12           HA       ARG  12  11.628   1.258   1.258
   85   1HB   ARG  12          2HB       ARG  12  14.271   1.209   1.209
   86   2HB   ARG  12          1HB       ARG  12  13.205  -0.103  -0.103
   87   1HG   ARG  12          2HG       ARG  12  11.418   1.569   1.569
   88   2HG   ARG  12          1HG       ARG  12  12.548   2.858   2.858
   89   1HD   ARG  12          2HD       ARG  12  13.247   0.808   0.808
   90   2HD   ARG  12          1HD       ARG  12  12.324   2.271   2.271
   91    HE   ARG  12           HE       ARG  12  14.395   3.285   3.285
   92   1HH1  ARG  12          1HH2      ARG  12  16.418   1.452   1.452
   93   2HH1  ARG  12          2HH2      ARG  12  16.994   1.720   1.720
   94   1HH2  ARG  12          1HH1      ARG  12  14.181   3.487   3.487
   95   2HH2  ARG  12          2HH1      ARG  12  15.728   2.872   2.872
   96    H    ARG  13           H        ARG  13  10.646  -0.728  -0.728
   97    HA   ARG  13           HA       ARG  13  12.263  -3.104  -3.104
   98   1HB   ARG  13          2HB       ARG  13  11.007  -1.585  -1.585
   99   2HB   ARG  13          1HB       ARG  13   9.643  -2.582  -2.582
  100   1HG   ARG  13          2HG       ARG  13  10.443  -4.392  -4.392
  101   2HG   ARG  13          1HG       ARG  13  12.054  -4.171  -4.171
  102   1HD   ARG  13          2HD       ARG  13  12.647  -2.568  -2.568
  103   2HD   ARG  13          1HD       ARG  13  10.985  -2.551  -2.551
  104    HE   ARG  13           HE       ARG  13  11.376  -5.092  -5.092
  105   1HH1  ARG  13          1HH2      ARG  13  14.259  -4.844  -4.844
  106   2HH1  ARG  13          2HH2      ARG  13  15.116  -4.785  -4.785
  107   1HH2  ARG  13          1HH1      ARG  13  12.292  -4.084  -4.084
  108   2HH2  ARG  13          2HH1      ARG  13  14.002  -4.355  -4.355
  109    H    GLU  14           H        GLU  14  11.575  -3.261  -3.261
  110    HA   GLU  14           HA       GLU  14   8.835  -3.740  -3.740
  111   1HB   GLU  14          2HB       GLU  14  11.276  -4.911  -4.911
  112   2HB   GLU  14          1HB       GLU  14   9.774  -4.373  -4.373
  113   1HG   GLU  14          2HG       GLU  14  10.377  -2.028  -2.028
  114   2HG   GLU  14          1HG       GLU  14  11.992  -2.684  -2.684
  115    H    LEU  15           H        LEU  15   7.645  -5.617  -5.617
  116    HA   LEU  15           HA       LEU  15   8.898  -8.023  -8.023
  117   1HB   LEU  15          2HB       LEU  15   6.220  -6.701  -6.701
  118   2HB   LEU  15          1HB       LEU  15   6.238  -8.455  -8.455
  119    HG   LEU  15           HG       LEU  15   7.572  -6.482  -6.482
  120   1HD1  LEU  15          3HD1      LEU  15   5.028  -7.379  -7.379
  121   2HD1  LEU  15          2HD1      LEU  15   5.830  -8.729  -8.729
  122   3HD1  LEU  15          1HD1      LEU  15   5.956  -7.130  -7.130
  123   1HD2  LEU  15          1HD2      LEU  15   8.793  -8.778  -8.778
  124   2HD2  LEU  15          3HD2      LEU  15   8.655  -8.196  -8.196
  125   3HD2  LEU  15          2HD2      LEU  15   7.523  -9.426  -9.426
  126    H    ASP  16           H        ASP  16   8.584 -10.043 -10.043
  127    HA   ASP  16           HA       ASP  16   7.598  -9.983  -9.983
  128   1HB   ASP  16          2HB       ASP  16   9.166 -12.056 -12.056
  129   2HB   ASP  16          1HB       ASP  16   8.833 -12.140 -12.140
  130    H    VAL  17           H        VAL  17   5.364  -9.912  -9.912
  131    HA   VAL  17           HA       VAL  17   4.374 -12.123 -12.123
  132    HB   VAL  17           HB       VAL  17   3.354  -9.492  -9.492
  133   1HG1  VAL  17          2HG1      VAL  17   1.484 -11.094 -11.094
  134   2HG1  VAL  17          1HG1      VAL  17   1.801 -11.550 -11.550
  135   3HG1  VAL  17          3HG1      VAL  17   1.256  -9.919  -9.919
  136   1HG2  VAL  17          3HG2      VAL  17   4.850 -10.106 -10.106
  137   2HG2  VAL  17          2HG2      VAL  17   3.747  -8.732  -8.732
  138   3HG2  VAL  17          1HG2      VAL  17   3.225 -10.242 -10.242
  139    H    ALA  18           H        ALA  18   2.172 -13.015 -13.015
  140    HA   ALA  18           HA       ALA  18   2.275 -13.737 -13.737
  141   1HB   ALA  18          2HB       ALA  18   2.671 -15.506 -15.506
  142   2HB   ALA  18          1HB       ALA  18   1.046 -15.206 -15.206
  143   3HB   ALA  18          3HB       ALA  18   1.263 -15.834 -15.834
  144    H    ASP  19           H        ASP  19  -0.380 -15.058 -15.058
  145    HA   ASP  19           HA       ASP  19  -2.080 -12.661 -12.661
  146   1HB   ASP  19          2HB       ASP  19  -3.222 -14.037 -14.037
  147   2HB   ASP  19          1HB       ASP  19  -1.581 -14.678 -14.678
  148    H    GLY  20           H        GLY  20  -3.500 -12.160 -12.160
  149   1HA   GLY  20          2HA       GLY  20  -5.389 -12.827 -12.827
  150   2HA   GLY  20          1HA       GLY  20  -4.557 -14.354 -14.354
  151    H    VAL  21           H        VAL  21  -2.261 -11.959 -11.959
  152    HA   VAL  21           HA       VAL  21  -2.312 -11.829 -11.829
  153    HB   VAL  21           HB       VAL  21  -0.241 -11.873 -11.873
  154   1HG1  VAL  21          1HG1      VAL  21   0.059 -10.624 -10.624
  155   2HG1  VAL  21          3HG1      VAL  21   1.442 -11.182 -11.182
  156   3HG1  VAL  21          2HG1      VAL  21   0.413  -9.891  -9.891
  157   1HG2  VAL  21          2HG2      VAL  21  -1.079 -13.541 -13.541
  158   2HG2  VAL  21          1HG2      VAL  21   0.111 -13.901 -13.901
  159   3HG2  VAL  21          3HG2      VAL  21   0.614 -13.079 -13.079
  160    H    SER  22           H        SER  22  -1.256  -9.811  -9.811
  161    HA   SER  22           HA       SER  22  -2.106  -7.349  -7.349
  162   1HB   SER  22          2HB       SER  22  -1.878  -6.956  -6.956
  163   2HB   SER  22          1HB       SER  22  -3.330  -6.895  -6.895
  164    HG   SER  22           HG       SER  22  -3.806  -8.581  -8.581
  165    H    LEU  23           H        LEU  23  -0.769  -5.380  -5.380
  166    HA   LEU  23           HA       LEU  23   2.073  -6.036  -6.036
  167   1HB   LEU  23          2HB       LEU  23   0.800  -3.456  -3.456
  168   2HB   LEU  23          1HB       LEU  23   2.375  -3.646  -3.646
  169    HG   LEU  23           HG       LEU  23  -0.340  -3.977  -3.977
  170   1HD1  LEU  23          3HD1      LEU  23   1.228  -1.764  -1.764
  171   2HD1  LEU  23          2HD1      LEU  23   1.845  -2.419  -2.419
  172   3HD1  LEU  23          1HD1      LEU  23   0.133  -2.027  -2.027
  173   1HD2  LEU  23          2HD2      LEU  23   2.265  -5.198  -5.198
  174   2HD2  LEU  23          1HD2      LEU  23   0.643  -5.660  -5.660
  175   3HD2  LEU  23          3HD2      LEU  23   1.492  -4.353  -4.353
  176    H    MET  24           H        MET  24  -0.112  -6.260  -6.260
  177    HA   MET  24           HA       MET  24   1.768  -5.578  -5.578
  178   1HB   MET  24          2HB       MET  24  -0.342  -4.941  -4.941
  179   2HB   MET  24          1HB       MET  24  -1.109  -6.125  -6.125
  180   1HG   MET  24          2HG       MET  24  -1.270  -7.666  -7.666
  181   2HG   MET  24          1HG       MET  24   0.336  -7.302  -7.302
  182   1HE   MET  24          1HE       MET  24   1.003  -5.357  -5.357
  183   2HE   MET  24          3HE       MET  24   0.114  -4.470  -4.470
  184   3HE   MET  24          2HE       MET  24   0.520  -6.168  -6.168
  185    H    GLN  25           H        GLN  25  -0.369  -8.354  -8.354
  186    HA   GLN  25           HA       GLN  25   0.859 -10.147 -10.147
  187   1HB   GLN  25          2HB       GLN  25  -0.911 -11.295 -11.295
  188   2HB   GLN  25          1HB       GLN  25  -1.023 -10.087 -10.087
  189   1HG   GLN  25          2HG       GLN  25   0.762 -12.519 -12.519
  190   2HG   GLN  25          1HG       GLN  25  -0.790 -12.353 -12.353
  191   1HE2  GLN  25          2HE2      GLN  25   0.901  -9.314  -9.314
  192   2HE2  GLN  25          1HE2      GLN  25  -0.196  -9.344  -9.344
  193    H    ALA  26           H        ALA  26   2.215  -9.152  -9.152
  194    HA   ALA  26           HA       ALA  26   4.144 -11.414 -11.414
  195   1HB   ALA  26          3HB       ALA  26   3.600  -9.082  -9.082
  196   2HB   ALA  26          2HB       ALA  26   4.992 -10.154 -10.154
  197   3HB   ALA  26          1HB       ALA  26   3.337 -10.805 -10.805
  198    H    ALA  27           H        ALA  27   3.818  -7.991  -7.991
  199    HA   ALA  27           HA       ALA  27   6.632  -7.385  -7.385
  200   1HB   ALA  27          1HB       ALA  27   3.943  -6.094  -6.094
  201   2HB   ALA  27          3HB       ALA  27   5.282  -5.311  -5.311
  202   3HB   ALA  27          2HB       ALA  27   5.357  -5.581  -5.581
  203    H    VAL  28           H        VAL  28   3.776  -7.640  -7.640
  204    HA   VAL  28           HA       VAL  28   4.939  -7.222  -7.222
  205    HB   VAL  28           HB       VAL  28   2.967  -9.373  -9.373
  206   1HG1  VAL  28          3HG1      VAL  28   4.113  -9.320  -9.320
  207   2HG1  VAL  28          2HG1      VAL  28   2.911  -8.061  -8.061
  208   3HG1  VAL  28          1HG1      VAL  28   2.397  -9.680  -9.680
  209   1HG2  VAL  28          1HG2      VAL  28   2.434  -6.978  -6.978
  210   2HG2  VAL  28          3HG2      VAL  28   1.245  -7.751  -7.751
  211   3HG2  VAL  28          2HG2      VAL  28   2.404  -6.576  -6.576
  212    H    SER  29           H        SER  29   4.661 -10.395 -10.395
  213    HA   SER  29           HA       SER  29   6.395 -11.876 -11.876
  214   1HB   SER  29          2HB       SER  29   6.661 -12.654 -12.654
  215   2HB   SER  29          1HB       SER  29   5.689 -13.426 -13.426
  216    HG   SER  29           HG       SER  29   4.829 -12.153 -12.153
  217    H    ASN  30           H        ASN  30   6.966  -9.884  -9.884
  218    HA   ASN  30           HA       ASN  30   9.787 -10.426 -10.426
  219   1HB   ASN  30          2HB       ASN  30   7.664  -8.829  -8.829
  220   2HB   ASN  30          1HB       ASN  30   9.138  -7.887  -7.887
  221   1HD2  ASN  30          2HD2      ASN  30   8.868 -10.991 -10.991
  222   2HD2  ASN  30          1HD2      ASN  30   7.599 -10.626 -10.626
  223    H    GLY  31           H        GLY  31   8.143  -9.033  -9.033
  224   1HA   GLY  31          2HA       GLY  31   9.091  -7.985  -7.985
  225   2HA   GLY  31          1HA       GLY  31  10.562  -7.684  -7.684
  226    H    ILE  32           H        ILE  32   8.533  -6.596  -6.596
  227    HA   ILE  32           HA       ILE  32   8.960  -3.854  -3.854
  228    HB   ILE  32           HB       ILE  32   6.350  -5.030  -5.030
  229   1HG1  ILE  32          2HG1      ILE  32   9.126  -5.412  -5.412
  230   2HG1  ILE  32          1HG1      ILE  32   7.751  -6.503  -6.503
  231   1HG2  ILE  32          1HG2      ILE  32   6.972  -2.474  -2.474
  232   2HG2  ILE  32          3HG2      ILE  32   7.983  -2.896  -2.896
  233   3HG2  ILE  32          2HG2      ILE  32   6.242  -3.168  -3.168
  234   1HD1  ILE  32          1HD1      ILE  32   6.856  -4.513  -4.513
  235   2HD1  ILE  32          3HD1      ILE  32   8.593  -4.386  -4.386
  236   3HD1  ILE  32          2HD1      ILE  32   7.760  -5.907  -5.907
  237    H    TYR  33           H        TYR  33   6.089  -5.639  -5.639
  238    HA   TYR  33           HA       TYR  33   6.074  -3.965  -3.965
  239   1HB   TYR  33          2HB       TYR  33   3.417  -3.877  -3.877
  240   2HB   TYR  33          1HB       TYR  33   4.530  -2.529  -2.529
  241    HD1  TYR  33          2HD       TYR  33   3.929  -5.746  -5.746
  242    HD2  TYR  33          1HD       TYR  33   3.943  -1.469  -1.469
  243    HE1  TYR  33          2HE       TYR  33   3.218  -5.890  -5.890
  244    HE2  TYR  33          1HE       TYR  33   3.239  -1.594  -1.594
  245    HH   TYR  33           HH       TYR  33   3.579  -4.069  -4.069
  246    H    ASP  34           H        ASP  34   6.357  -5.919  -5.919
  247    HA   ASP  34           HA       ASP  34   4.685  -8.257  -8.257
  248   1HB   ASP  34          2HB       ASP  34   5.667  -8.815  -8.815
  249   2HB   ASP  34          1HB       ASP  34   6.868  -8.417  -8.417
  250    H    ILE  35           H        ILE  35   2.922  -6.226  -6.226
  251    HA   ILE  35           HA       ILE  35   1.815  -5.668  -5.668
  252    HB   ILE  35           HB       ILE  35   1.897  -3.904  -3.904
  253   1HG1  ILE  35          2HG1      ILE  35  -0.984  -4.757  -4.757
  254   2HG1  ILE  35          1HG1      ILE  35  -0.250  -4.370  -4.370
  255   1HG2  ILE  35          2HG2      ILE  35   1.316  -6.026  -6.026
  256   2HG2  ILE  35          1HG2      ILE  35   0.025  -4.839  -4.839
  257   3HG2  ILE  35          3HG2      ILE  35   1.699  -4.351  -4.351
  258   1HD1  ILE  35          1HD1      ILE  35   0.513  -2.359  -2.359
  259   2HD1  ILE  35          3HD1      ILE  35  -1.239  -2.559  -2.559
  260   3HD1  ILE  35          2HD1      ILE  35  -0.459  -2.175  -2.175
  261    H    VAL  36           H        VAL  36   0.760  -7.466  -7.466
  262    HA   VAL  36           HA       VAL  36  -1.371  -8.714  -8.714
  263    HB   VAL  36           HB       VAL  36   0.306  -9.879  -9.879
  264   1HG1  VAL  36          3HG1      VAL  36  -2.196 -10.700 -10.700
  265   2HG1  VAL  36          2HG1      VAL  36  -0.941 -11.896 -11.896
  266   3HG1  VAL  36          1HG1      VAL  36  -1.318 -11.435 -11.435
  267   1HG2  VAL  36          1HG2      VAL  36   1.113  -9.393  -9.393
  268   2HG2  VAL  36          3HG2      VAL  36   1.702 -10.745 -10.745
  269   3HG2  VAL  36          2HG2      VAL  36   0.393 -10.992 -10.992
  270    H    GLY  37           H        GLY  37  -1.726  -6.321  -6.321
  271   1HA   GLY  37          2HA       GLY  37  -3.490  -7.471  -7.471
  272   2HA   GLY  37          1HA       GLY  37  -2.625  -5.949  -5.949
  273    H    ASP  38           H        ASP  38  -3.133  -4.536  -4.536
  274    HA   ASP  38           HA       ASP  38  -5.961  -3.852  -3.852
  275   1HB   ASP  38          2HB       ASP  38  -3.488  -2.811  -2.811
  276   2HB   ASP  38          1HB       ASP  38  -4.983  -2.354  -2.354
  277    H    CYS  39           H        CYS  39  -4.223  -4.103  -4.103
  278    HA   CYS  39           HA       CYS  39  -6.496  -5.007  -5.007
  279   1HB   CYS  39          2HB       CYS  39  -4.663  -5.351  -5.351
  280   2HB   CYS  39          1HB       CYS  39  -4.749  -3.753  -3.753
  281    H    GLY  40           H        GLY  40  -3.657  -6.711  -6.711
  282   1HA   GLY  40          2HA       GLY  40  -3.166  -9.024  -9.024
  283   2HA   GLY  40          1HA       GLY  40  -4.874  -9.176  -9.176
  284    H    GLY  41           H        GLY  41  -3.750  -7.783  -7.783
  285   1HA   GLY  41          2HA       GLY  41  -3.818  -8.629  -8.629
  286   2HA   GLY  41          1HA       GLY  41  -4.253 -10.212 -10.212
  287    H    SER  42           H        SER  42  -5.926  -7.183  -7.183
  288    HA   SER  42           HA       SER  42  -8.235  -8.099  -8.099
  289   1HB   SER  42          2HB       SER  42  -8.288  -7.272  -7.272
  290   2HB   SER  42          1HB       SER  42  -9.700  -7.710  -7.710
  291    HG   SER  42           HG       SER  42  -9.166  -9.591  -9.591
  292    H    ALA  43           H        ALA  43  -6.173  -5.611  -5.611
  293    HA   ALA  43           HA       ALA  43  -6.224  -3.370  -3.370
  294   1HB   ALA  43          1HB       ALA  43  -8.175  -4.770  -4.770
  295   2HB   ALA  43          3HB       ALA  43  -8.987  -3.316  -3.316
  296   3HB   ALA  43          2HB       ALA  43  -7.520  -3.184  -3.184
  297    H    SER  44           H        SER  44  -6.536  -3.539  -3.539
  298    HA   SER  44           HA       SER  44  -8.647  -1.518  -1.518
  299   1HB   SER  44          2HB       SER  44  -9.524  -3.514  -3.514
  300   2HB   SER  44          1HB       SER  44  -7.925  -4.127  -4.127
  301    HG   SER  44           HG       SER  44  -7.831  -2.759  -2.759
  302    H    CYS  45           H        CYS  45  -5.767  -1.334  -1.334
  303    HA   CYS  45           HA       CYS  45  -4.628  -0.634  -0.634
  304   1HB   CYS  45          2HB       CYS  45  -2.410  -0.822  -0.822
  305   2HB   CYS  45          1HB       CYS  45  -3.284  -2.269  -2.269
  306    H    ALA  46           H        ALA  46  -3.991   1.366   1.366
  307    HA   ALA  46           HA       ALA  46  -4.185   3.527   3.527
  308   1HB   ALA  46          1HB       ALA  46  -4.300   3.204   3.204
  309   2HB   ALA  46          3HB       ALA  46  -3.497   4.677   4.677
  310   3HB   ALA  46          2HB       ALA  46  -5.159   4.345   4.345
  311    H    THR  47           H        THR  47  -1.881   1.345   1.345
  312    HA   THR  47           HA       THR  47   0.372   3.313   3.313
  313    HB   THR  47           HB       THR  47   0.006   1.639   1.639
  314    HG1  THR  47          1HG       THR  47   1.997   2.592   2.592
  315   1HG2  THR  47          3HG2      THR  47  -0.627  -0.265  -0.265
  316   2HG2  THR  47          2HG2      THR  47   0.986  -0.260  -0.260
  317   3HG2  THR  47          1HG2      THR  47   0.777  -0.654  -0.654
  318    H    CYS  48           H        CYS  48  -0.737   0.235   0.235
  319    HA   CYS  48           HA       CYS  48   1.558   0.136   0.136
  320   1HB   CYS  48          2HB       CYS  48  -1.010  -1.232  -1.232
  321   2HB   CYS  48          1HB       CYS  48   0.631  -1.791  -1.791
  322    H    HIS  49           H        HIS  49  -0.680   2.481   2.481
  323    HA   HIS  49           HA       HIS  49  -1.971   2.657   2.657
  324   1HB   HIS  49          2HB       HIS  49  -1.869   4.297   4.297
  325   2HB   HIS  49          1HB       HIS  49  -0.346   4.876   4.876
  326    HD1  HIS  49          1HD       HIS  49  -2.123   7.068   7.068
  327    HD2  HIS  49          2HD       HIS  49  -2.533   4.089   4.089
  328    HE1  HIS  49          1HE       HIS  49  -3.318   8.127   8.127
  329    H    VAL  50           H        VAL  50  -1.307   2.965   2.965
  330    HA   VAL  50           HA       VAL  50   1.573   3.517   3.517
  331    HB   VAL  50           HB       VAL  50   1.466   1.665   1.665
  332   1HG1  VAL  50          1HG1      VAL  50   2.024   1.568   1.568
  333   2HG1  VAL  50          3HG1      VAL  50   0.812   0.295   0.295
  334   3HG1  VAL  50          2HG1      VAL  50   2.281   0.229   0.229
  335   1HG2  VAL  50          1HG2      VAL  50  -1.107   1.771   1.771
  336   2HG2  VAL  50          3HG2      VAL  50  -0.373   0.166   0.166
  337   3HG2  VAL  50          2HG2      VAL  50  -1.017   0.798   0.798
  338    H    TYR  51           H        TYR  51   1.931   4.194   4.194
  339    HA   TYR  51           HA       TYR  51  -0.497   5.369   5.369
  340   1HB   TYR  51          2HB       TYR  51   2.313   6.334   6.334
  341   2HB   TYR  51          1HB       TYR  51   1.324   7.067   7.067
  342    HD1  TYR  51          2HD       TYR  51  -1.105   6.108   6.108
  343    HD2  TYR  51          1HD       TYR  51   2.177   8.883   8.883
  344    HE1  TYR  51          2HE       TYR  51  -2.249   7.584   7.584
  345    HE2  TYR  51          1HE       TYR  51   1.016  10.358  10.358
  346    HH   TYR  51           HH       TYR  51  -0.728  10.036  10.036
  347    H    VAL  52           H        VAL  52  -0.868   4.458   4.458
  348    HA   VAL  52           HA       VAL  52   1.301   2.930   2.930
  349    HB   VAL  52           HB       VAL  52  -1.669   3.198   3.198
  350   1HG1  VAL  52          1HG1      VAL  52  -0.283   2.349   2.349
  351   2HG1  VAL  52          3HG1      VAL  52   0.304   1.053   1.053
  352   3HG1  VAL  52          2HG1      VAL  52  -1.407   1.137   1.137
  353   1HG2  VAL  52          3HG2      VAL  52  -0.147   1.694   1.694
  354   2HG2  VAL  52          2HG2      VAL  52  -1.865   2.085   2.085
  355   3HG2  VAL  52          1HG2      VAL  52  -1.248   0.697   0.697
  356    H    ASN  53           H        ASN  53   1.339   3.198   3.198
  357    HA   ASN  53           HA       ASN  53   1.517   6.085   6.085
  358   1HB   ASN  53          2HB       ASN  53   2.468   5.139   5.139
  359   2HB   ASN  53          1HB       ASN  53   3.241   4.404   4.404
  360   1HD2  ASN  53          2HD2      ASN  53   1.897   1.217   1.217
  361   2HD2  ASN  53          1HD2      ASN  53   2.812   2.170   2.170
  362    H    GLU  54           H        GLU  54  -0.014   7.135   7.135
  363    HA   GLU  54           HA       GLU  54  -2.641   6.414   6.414
  364   1HB   GLU  54          2HB       GLU  54  -2.570   7.900   7.900
  365   2HB   GLU  54          1HB       GLU  54  -1.741   8.574   8.574
  366   1HG   GLU  54          2HG       GLU  54   0.417   7.889   7.889
  367   2HG   GLU  54          1HG       GLU  54  -0.350   7.028   7.028
  368    H    ALA  55           H        ALA  55   0.035   4.991   4.991
  369    HA   ALA  55           HA       ALA  55  -1.512   3.964   3.964
  370   1HB   ALA  55          3HB       ALA  55   1.166   4.108   4.108
  371   2HB   ALA  55          2HB       ALA  55   0.818   2.397   2.397
  372   3HB   ALA  55          1HB       ALA  55   0.593   3.546   3.546
  373    H    PHE  56           H        PHE  56  -0.186   2.277   2.277
  374    HA   PHE  56           HA       PHE  56  -1.775  -0.113  -0.113
  375   1HB   PHE  56          2HB       PHE  56   0.170   0.727   0.727
  376   2HB   PHE  56          1HB       PHE  56  -0.614  -0.851  -0.851
  377    HD1  PHE  56          1HD       PHE  56   1.496   1.403   1.403
  378    HD2  PHE  56          2HD       PHE  56   0.204  -2.679  -2.679
  379    HE1  PHE  56          1HE       PHE  56   3.099   0.614   0.614
  380    HE2  PHE  56          2HE       PHE  56   1.804  -3.411  -3.411
  381    HZ   PHE  56           HZ       PHE  56   3.254  -1.792  -1.792
  382    H    THR  57           H        THR  57  -2.496   2.792   2.792
  383    HA   THR  57           HA       THR  57  -4.127   1.660   1.660
  384    HB   THR  57           HB       THR  57  -4.585   3.923   3.923
  385    HG1  THR  57          1HG       THR  57  -5.103   5.242   5.242
  386   1HG2  THR  57          2HG2      THR  57  -1.912   3.235   3.235
  387   2HG2  THR  57          1HG2      THR  57  -2.212   4.945   4.945
  388   3HG2  THR  57          3HG2      THR  57  -2.428   4.292   4.292
  389    H    ASP  58           H        ASP  58  -4.846   3.414   3.414
  390    HA   ASP  58           HA       ASP  58  -7.687   3.072   3.072
  391   1HB   ASP  58          2HB       ASP  58  -7.363   4.557   4.557
  392   2HB   ASP  58          1HB       ASP  58  -5.640   4.203   4.203
  393    H    LYS  59           H        LYS  59  -5.244   0.799   0.799
  394    HA   LYS  59           HA       LYS  59  -6.575  -1.016  -1.016
  395   1HB   LYS  59          2HB       LYS  59  -4.523  -1.657  -1.657
  396   2HB   LYS  59          1HB       LYS  59  -4.695  -2.391  -2.391
  397   1HG   LYS  59          2HG       LYS  59  -3.597   0.339   0.339
  398   2HG   LYS  59          1HG       LYS  59  -2.832  -0.949  -0.949
  399   1HD   LYS  59          2HD       LYS  59  -5.159  -0.460  -0.460
  400   2HD   LYS  59          1HD       LYS  59  -4.662   1.150   1.150
  401   1HE   LYS  59          2HE       LYS  59  -3.505   0.823   0.823
  402   2HE   LYS  59          1HE       LYS  59  -2.288   0.438   0.438
  403   1HZ   LYS  59          1HZ       LYS  59  -3.447  -1.902  -1.902
  404   2HZ   LYS  59          3HZ       LYS  59  -3.810  -1.368  -1.368
  405   3HZ   LYS  59          2HZ       LYS  59  -2.193  -1.468  -1.468
  406    H    VAL  60           H        VAL  60  -5.724  -1.005  -1.005
  407    HA   VAL  60           HA       VAL  60  -7.291  -3.295  -3.295
  408    HB   VAL  60           HB       VAL  60  -5.002  -1.982  -1.982
  409   1HG1  VAL  60          3HG1      VAL  60  -6.233  -0.108  -0.108
  410   2HG1  VAL  60          2HG1      VAL  60  -6.899  -1.188  -1.188
  411   3HG1  VAL  60          1HG1      VAL  60  -5.162  -0.885  -0.885
  412   1HG2  VAL  60          2HG2      VAL  60  -6.309  -4.235  -4.235
  413   2HG2  VAL  60          1HG2      VAL  60  -4.661  -3.762  -3.762
  414   3HG2  VAL  60          3HG2      VAL  60  -5.981  -3.360  -3.360
  415    HA   PRO  61           HA       PRO  61 -11.071  -1.385  -1.385
  416   1HB   PRO  61          2HB       PRO  61 -11.518  -2.436  -2.436
  417   2HB   PRO  61          1HB       PRO  61 -11.763  -3.329  -3.329
  418   1HG   PRO  61          2HG       PRO  61  -9.408  -3.354  -3.354
  419   2HG   PRO  61          1HG       PRO  61 -10.237  -4.717  -4.717
  420   1HD   PRO  61          2HD       PRO  61  -7.944  -3.788  -3.788
  421   2HD   PRO  61          1HD       PRO  61  -9.253  -4.306  -4.306
  422    H    ALA  62           H        ALA  62 -12.094   0.027   0.027
  423    HA   ALA  62           HA       ALA  62 -10.295   2.106   2.106
  424   1HB   ALA  62          1HB       ALA  62 -12.843   1.815   1.815
  425   2HB   ALA  62          3HB       ALA  62 -13.141   2.304   2.304
  426   3HB   ALA  62          2HB       ALA  62 -12.151   3.318   3.318
  427    H    ALA  63           H        ALA  63 -12.156   2.948   2.948
  428    HA   ALA  63           HA       ALA  63 -11.168   1.143   1.143
  429   1HB   ALA  63          1HB       ALA  63 -10.523   3.633   3.633
  430   2HB   ALA  63          3HB       ALA  63 -12.155   3.979   3.979
  431   3HB   ALA  63          2HB       ALA  63 -11.024   3.113   3.113
  432    H    ASN  64           H        ASN  64 -12.597   0.393   0.393
  433    HA   ASN  64           HA       ASN  64 -15.509   0.714   0.714
  434   1HB   ASN  64          2HB       ASN  64 -15.668  -1.300  -1.300
  435   2HB   ASN  64          1HB       ASN  64 -14.540  -1.554  -1.554
  436   1HD2  ASN  64          2HD2      ASN  64 -12.562  -2.743  -2.743
  437   2HD2  ASN  64          1HD2      ASN  64 -13.749  -3.271  -3.271
  438    H    GLU  65           H        GLU  65 -16.259  -0.047  -0.047
  439    HA   GLU  65           HA       GLU  65 -16.132   2.592   2.592
  440   1HB   GLU  65          2HB       GLU  65 -17.872   1.730   1.730
  441   2HB   GLU  65          1HB       GLU  65 -18.041   0.781   0.781
  442   1HG   GLU  65          2HG       GLU  65 -16.467  -0.130  -0.130
  443   2HG   GLU  65          1HG       GLU  65 -18.133  -0.601  -0.601
  444    H    ARG  66           H        ARG  66 -14.544  -0.524  -0.524
  445    HA   ARG  66           HA       ARG  66 -13.460  -0.035  -0.035
  446   1HB   ARG  66          2HB       ARG  66 -13.604  -2.118  -2.118
  447   2HB   ARG  66          1HB       ARG  66 -11.899  -1.857  -1.857
  448   1HG   ARG  66          2HG       ARG  66 -12.486  -1.953  -1.953
  449   2HG   ARG  66          1HG       ARG  66 -14.124  -2.424  -2.424
  450   1HD   ARG  66          2HD       ARG  66 -11.623  -3.931  -3.931
  451   2HD   ARG  66          1HD       ARG  66 -12.669  -4.404  -4.404
  452    HE   ARG  66           HE       ARG  66 -13.797  -4.063  -4.063
  453   1HH1  ARG  66          1HH2      ARG  66 -12.491  -6.498  -6.498
  454   2HH1  ARG  66          2HH2      ARG  66 -13.913  -7.486  -7.486
  455   1HH2  ARG  66          1HH1      ARG  66 -15.986  -5.051  -5.051
  456   2HH2  ARG  66          2HH1      ARG  66 -15.891  -6.667  -6.667
  457    H    GLU  67           H        GLU  67 -12.061   0.034   0.034
  458    HA   GLU  67           HA       GLU  67  -9.463   0.938   0.938
  459   1HB   GLU  67          2HB       GLU  67  -9.813  -0.041  -0.041
  460   2HB   GLU  67          1HB       GLU  67 -11.156   1.036   1.036
  461   1HG   GLU  67          2HG       GLU  67  -9.568   2.956   2.956
  462   2HG   GLU  67          1HG       GLU  67  -8.240   1.825   1.825
  463    H    ILE  68           H        ILE  68 -12.409   2.622   2.622
  464    HA   ILE  68           HA       ILE  68 -11.229   5.247   5.247
  465    HB   ILE  68           HB       ILE  68 -13.890   4.024   4.024
  466   1HG1  ILE  68          2HG1      ILE  68 -14.516   5.240   5.240
  467   2HG1  ILE  68          1HG1      ILE  68 -13.107   6.293   6.293
  468   1HG2  ILE  68          3HG2      ILE  68 -13.730   5.879   5.879
  469   2HG2  ILE  68          2HG2      ILE  68 -13.467   7.005   7.005
  470   3HG2  ILE  68          1HG2      ILE  68 -14.991   6.123   6.123
  471   1HD1  ILE  68          2HD1      ILE  68 -12.602   3.359   3.359
  472   2HD1  ILE  68          1HD1      ILE  68 -13.143   4.174   4.174
  473   3HD1  ILE  68          3HD1      ILE  68 -11.667   4.701   4.701
  474    H    GLY  69           H        GLY  69 -11.523   3.236   3.236
  475   1HA   GLY  69          2HA       GLY  69 -11.519   5.495   5.495
  476   2HA   GLY  69          1HA       GLY  69 -11.506   3.791   3.791
  477    H    MET  70           H        MET  70  -9.417   2.626   2.626
  478    HA   MET  70           HA       MET  70  -7.225   3.875   3.875
  479   1HB   MET  70          2HB       MET  70  -6.108   2.118   2.118
  480   2HB   MET  70          1HB       MET  70  -6.404   1.780   1.780
  481   1HG   MET  70          2HG       MET  70  -7.419   0.070   0.070
  482   2HG   MET  70          1HG       MET  70  -8.688   0.991   0.991
  483   1HE   MET  70          2HE       MET  70  -7.529  -0.712  -0.712
  484   2HE   MET  70          1HE       MET  70  -8.921  -0.630  -0.630
  485   3HE   MET  70          3HE       MET  70  -7.400   0.170   0.170
  486    H    LEU  71           H        LEU  71  -8.104   3.841   3.841
  487    HA   LEU  71           HA       LEU  71  -5.701   5.066   5.066
  488   1HB   LEU  71          2HB       LEU  71  -7.698   3.676   3.676
  489   2HB   LEU  71          1HB       LEU  71  -8.456   5.259   5.259
  490    HG   LEU  71           HG       LEU  71  -6.193   4.035   4.035
  491   1HD1  LEU  71          3HD1      LEU  71  -8.705   5.284   5.284
  492   2HD1  LEU  71          2HD1      LEU  71  -7.448   6.278   6.278
  493   3HD1  LEU  71          1HD1      LEU  71  -7.593   4.568   4.568
  494   1HD2  LEU  71          1HD2      LEU  71  -6.255   7.000   7.000
  495   2HD2  LEU  71          3HD2      LEU  71  -5.007   5.874   5.874
  496   3HD2  LEU  71          2HD2      LEU  71  -5.216   6.215   6.215
  497    H    GLU  72           H        GLU  72  -8.467   6.243   6.243
  498    HA   GLU  72           HA       GLU  72  -8.112   9.045   9.045
  499   1HB   GLU  72          2HB       GLU  72 -10.348   8.866   8.866
  500   2HB   GLU  72          1HB       GLU  72 -10.140   7.365   7.365
  501   1HG   GLU  72          2HG       GLU  72  -9.981   8.438   8.438
  502   2HG   GLU  72          1HG       GLU  72  -9.328   9.926   9.926
  503    H    CYS  73           H        CYS  73  -8.057   7.226   7.226
  504    HA   CYS  73           HA       CYS  73  -7.201   9.221   9.221
  505   1HB   CYS  73          2HB       CYS  73  -7.181   6.323   6.323
  506   2HB   CYS  73          1HB       CYS  73  -5.747   6.894   6.894
  507    HG   CYS  73           HG       CYS  73  -7.890   8.406   8.406
  508    H    VAL  74           H        VAL  74  -5.435   7.667   7.667
  509    HA   VAL  74           HA       VAL  74  -2.795   8.540   8.540
  510    HB   VAL  74           HB       VAL  74  -2.170   7.688   7.688
  511   1HG1  VAL  74          1HG1      VAL  74  -3.680   6.198   6.198
  512   2HG1  VAL  74          3HG1      VAL  74  -3.715   5.428   5.428
  513   3HG1  VAL  74          2HG1      VAL  74  -2.170   5.772   5.772
  514   1HG2  VAL  74          2HG2      VAL  74  -5.033   8.109   8.109
  515   2HG2  VAL  74          1HG2      VAL  74  -3.730   8.015   8.015
  516   3HG2  VAL  74          3HG2      VAL  74  -4.473   6.536   6.536
  517    H    THR  75           H        THR  75  -4.218  10.770  10.770
  518    HA   THR  75           HA       THR  75  -4.805  12.454  12.454
  519    HB   THR  75           HB       THR  75  -5.027  12.872  12.872
  520    HG1  THR  75          1HG       THR  75  -4.325  15.090  15.090
  521   1HG2  THR  75          1HG2      THR  75  -2.179  12.431  12.431
  522   2HG2  THR  75          3HG2      THR  75  -2.498  14.012  14.012
  523   3HG2  THR  75          2HG2      THR  75  -3.201  12.561  12.561
  524    H    ALA  76           H        ALA  76  -3.068  11.697  11.697
  525    HA   ALA  76           HA       ALA  76  -0.661  13.480  13.480
  526   1HB   ALA  76          1HB       ALA  76  -0.359  10.907  10.907
  527   2HB   ALA  76          3HB       ALA  76  -0.653  10.802  10.802
  528   3HB   ALA  76          2HB       ALA  76   0.725  11.723  11.723
  529    H    GLU  77           H        GLU  77  -2.626  14.670  14.670
  530    HA   GLU  77           HA       GLU  77  -3.637  15.319  15.319
  531   1HB   GLU  77          2HB       GLU  77  -1.862  15.899  15.899
  532   2HB   GLU  77          1HB       GLU  77  -1.378  16.333  16.333
  533   1HG   GLU  77          2HG       GLU  77   0.044  14.412  14.412
  534   2HG   GLU  77          1HG       GLU  77  -0.614  13.705  13.705
  535    H    LEU  78           H        LEU  78  -4.441  12.895  12.895
  536    HA   LEU  78           HA       LEU  78  -3.890  10.629  10.629
  537   1HB   LEU  78          2HB       LEU  78  -6.121  11.968  11.968
  538   2HB   LEU  78          1HB       LEU  78  -6.534  11.605  11.605
  539    HG   LEU  78           HG       LEU  78  -5.892   9.232   9.232
  540   1HD1  LEU  78          2HD1      LEU  78  -4.404  10.053  10.053
  541   2HD1  LEU  78          1HD1      LEU  78  -5.880   9.707   9.707
  542   3HD1  LEU  78          3HD1      LEU  78  -5.101   8.434   8.434
  543   1HD2  LEU  78          2HD2      LEU  78  -8.080  10.633  10.633
  544   2HD2  LEU  78          1HD2      LEU  78  -8.138   9.235   9.235
  545   3HD2  LEU  78          3HD2      LEU  78  -7.733   9.023   9.023
  546    H    LYS  79           H        LYS  79  -3.576   9.881   9.881
  547    HA   LYS  79           HA       LYS  79  -3.521  11.892  11.892
  548   1HB   LYS  79          2HB       LYS  79  -2.781   8.976   8.976
  549   2HB   LYS  79          1HB       LYS  79  -2.068  10.356  10.356
  550   1HG   LYS  79          2HG       LYS  79  -1.759   9.676   9.676
  551   2HG   LYS  79          1HG       LYS  79  -0.511   9.565   9.565
  552   1HD   LYS  79          2HD       LYS  79  -1.820  12.176  12.176
  553   2HD   LYS  79          1HD       LYS  79  -0.955  11.731  11.731
  554   1HE   LYS  79          2HE       LYS  79   1.111  11.534  11.534
  555   2HE   LYS  79          1HE       LYS  79   0.337  11.397  11.397
  556   1HZ   LYS  79          1HZ       LYS  79  -0.651  13.693  13.693
  557   2HZ   LYS  79          3HZ       LYS  79   0.667  13.780  13.780
  558   3HZ   LYS  79          2HZ       LYS  79   0.935  13.610  13.610
  559    HA   PRO  80           HA       PRO  80  -7.145  10.392  10.392
  560   1HB   PRO  80          2HB       PRO  80  -6.341  10.022  10.022
  561   2HB   PRO  80          1HB       PRO  80  -6.634  11.629  11.629
  562   1HG   PRO  80          2HG       PRO  80  -4.063  10.176  10.176
  563   2HG   PRO  80          1HG       PRO  80  -4.442  11.888  11.888
  564   1HD   PRO  80          2HD       PRO  80  -3.114  11.016  11.016
  565   2HD   PRO  80          1HD       PRO  80  -4.225  12.401  12.401
  566    H    ASN  81           H        ASN  81  -4.173   8.611   8.611
  567    HA   ASN  81           HA       ASN  81  -5.708   6.094   6.094
  568   1HB   ASN  81          2HB       ASN  81  -3.836   5.352   5.352
  569   2HB   ASN  81          1HB       ASN  81  -3.888   7.065   7.065
  570   1HD2  ASN  81          2HD2      ASN  81  -0.664   7.610   7.610
  571   2HD2  ASN  81          1HD2      ASN  81  -1.901   8.098   8.098
  572    H    SER  82           H        SER  82  -4.430   7.709   7.709
  573    HA   SER  82           HA       SER  82  -2.671   6.009   6.009
  574   1HB   SER  82          2HB       SER  82  -5.130   7.479   7.479
  575   2HB   SER  82          1HB       SER  82  -3.847   6.870   6.870
  576    HG   SER  82           HG       SER  82  -2.558   8.136   8.136
  577    H    ARG  83           H        ARG  83  -2.847   4.120   4.120
  578    HA   ARG  83           HA       ARG  83  -5.467   2.837   2.837
  579   1HB   ARG  83          2HB       ARG  83  -3.300   1.796   1.796
  580   2HB   ARG  83          1HB       ARG  83  -4.551   0.748   0.748
  581   1HG   ARG  83          2HG       ARG  83  -4.979   3.183   3.183
  582   2HG   ARG  83          1HG       ARG  83  -5.243   1.497   1.497
  583   1HD   ARG  83          2HD       ARG  83  -6.722   1.909   1.909
  584   2HD   ARG  83          1HD       ARG  83  -7.069   3.291   3.291
  585    HE   ARG  83           HE       ARG  83  -8.087   0.715   0.715
  586   1HH1  ARG  83          1HH2      ARG  83  -8.103   3.454   3.454
  587   2HH1  ARG  83          2HH2      ARG  83  -7.756   2.821   2.821
  588   1HH2  ARG  83          1HH1      ARG  83  -6.793  -0.295  -0.295
  589   2HH2  ARG  83          2HH1      ARG  83  -7.015   0.698   0.698
  590    H    LEU  84           H        LEU  84  -5.183   0.926   0.926
  591    HA   LEU  84           HA       LEU  84  -2.903   1.283   1.283
  592   1HB   LEU  84          2HB       LEU  84  -5.612   0.395   0.395
  593   2HB   LEU  84          1HB       LEU  84  -4.601  -0.955  -0.955
  594    HG   LEU  84           HG       LEU  84  -4.548   1.851   1.851
  595   1HD1  LEU  84          2HD1      LEU  84  -5.826  -0.695  -0.695
  596   2HD1  LEU  84          1HD1      LEU  84  -4.916   0.022   0.022
  597   3HD1  LEU  84          3HD1      LEU  84  -6.187   0.945   0.945
  598   1HD2  LEU  84          2HD2      LEU  84  -2.746  -0.545  -0.545
  599   2HD2  LEU  84          1HD2      LEU  84  -2.313   1.136   1.136
  600   3HD2  LEU  84          3HD2      LEU  84  -2.904   0.620   0.620
  601    H    SER  85           H        SER  85  -1.207  -0.220  -0.220
  602    HA   SER  85           HA       SER  85  -0.221  -1.747  -1.747
  603   1HB   SER  85          2HB       SER  85   1.245  -2.606  -2.606
  604   2HB   SER  85          1HB       SER  85   0.597  -1.274  -1.274
  605    HG   SER  85           HG       SER  85   0.627  -3.511  -3.511
  606    H    CYS  86           H        CYS  86  -2.848  -2.480  -2.480
  607    HA   CYS  86           HA       CYS  86  -3.121  -5.233  -5.233
  608   1HB   CYS  86          2HB       CYS  86  -4.521  -4.066  -4.066
  609   2HB   CYS  86          1HB       CYS  86  -4.176  -5.755  -5.755
  610    H    GLN  87           H        GLN  87  -3.932  -2.997  -2.997
  611    HA   GLN  87           HA       GLN  87  -6.901  -3.237  -3.237
  612   1HB   GLN  87          2HB       GLN  87  -5.944  -1.018  -1.018
  613   2HB   GLN  87          1HB       GLN  87  -5.166  -0.970  -0.970
  614   1HG   GLN  87          2HG       GLN  87  -7.356   0.261   0.261
  615   2HG   GLN  87          1HG       GLN  87  -7.315  -1.031  -1.031
  616   1HE2  GLN  87          2HE2      GLN  87  -9.099  -2.318  -2.318
  617   2HE2  GLN  87          1HE2      GLN  87  -7.501  -1.740  -1.740
  618    H    ILE  88           H        ILE  88  -4.202  -2.643  -2.643
  619    HA   ILE  88           HA       ILE  88  -5.879  -3.353  -3.353
  620    HB   ILE  88           HB       ILE  88  -2.923  -2.978  -2.978
  621   1HG1  ILE  88          2HG1      ILE  88  -4.950  -0.844  -0.844
  622   2HG1  ILE  88          1HG1      ILE  88  -3.434  -1.212  -1.212
  623   1HG2  ILE  88          2HG2      ILE  88  -5.301  -2.085  -2.085
  624   2HG2  ILE  88          1HG2      ILE  88  -3.624  -1.692  -1.692
  625   3HG2  ILE  88          3HG2      ILE  88  -4.164  -3.371  -3.371
  626   1HD1  ILE  88          3HD1      ILE  88  -2.460  -0.678  -0.678
  627   2HD1  ILE  88          2HD1      ILE  88  -3.904   0.330   0.330
  628   3HD1  ILE  88          1HD1      ILE  88  -2.699   0.579   0.579
  629    H    ILE  89           H        ILE  89  -5.394  -5.068  -5.068
  630    HA   ILE  89           HA       ILE  89  -3.923  -7.352  -7.352
  631    HB   ILE  89           HB       ILE  89  -6.316  -7.083  -7.083
  632   1HG1  ILE  89          2HG1      ILE  89  -6.914  -7.051  -7.051
  633   2HG1  ILE  89          1HG1      ILE  89  -7.233  -8.698  -8.698
  634   1HG2  ILE  89          2HG2      ILE  89  -4.757  -8.803  -8.803
  635   2HG2  ILE  89          1HG2      ILE  89  -4.823  -9.638  -9.638
  636   3HG2  ILE  89          3HG2      ILE  89  -6.279  -9.491  -9.491
  637   1HD1  ILE  89          1HD1      ILE  89  -4.865  -9.261  -9.261
  638   2HD1  ILE  89          3HD1      ILE  89  -4.887  -7.695  -7.695
  639   3HD1  ILE  89          2HD1      ILE  89  -6.063  -8.934  -8.934
  640    H    MET  90           H        MET  90  -2.642  -8.656  -8.656
  641    HA   MET  90           HA       MET  90  -1.671  -7.076  -7.076
  642   1HB   MET  90          2HB       MET  90  -0.447  -8.301  -8.301
  643   2HB   MET  90          1HB       MET  90   0.012  -9.262  -9.262
  644   1HG   MET  90          2HG       MET  90   1.553  -7.305  -7.305
  645   2HG   MET  90          1HG       MET  90   1.007  -7.397  -7.397
  646   1HE   MET  90          1HE       MET  90  -0.117  -6.264  -6.264
  647   2HE   MET  90          3HE       MET  90  -1.406  -5.113  -5.113
  648   3HE   MET  90          2HE       MET  90   0.240  -4.537  -4.537
  649    H    THR  91           H        THR  91  -3.177  -7.906  -7.906
  650    HA   THR  91           HA       THR  91  -3.547 -10.792 -10.792
  651    HB   THR  91           HB       THR  91  -4.619  -9.736  -9.736
  652    HG1  THR  91          1HG       THR  91  -5.265  -7.517  -7.517
  653   1HG2  THR  91          3HG2      THR  91  -5.644  -9.275  -9.275
  654   2HG2  THR  91          2HG2      THR  91  -6.631  -9.159  -9.159
  655   3HG2  THR  91          1HG2      THR  91  -5.920 -10.705 -10.705
  656    HA   PRO  92           HA       PRO  92  -0.347 -11.446 -11.446
  657   1HB   PRO  92          2HB       PRO  92  -1.517 -13.111 -13.111
  658   2HB   PRO  92          1HB       PRO  92  -1.077 -13.623 -13.623
  659   1HG   PRO  92          2HG       PRO  92  -3.729 -13.008 -13.008
  660   2HG   PRO  92          1HG       PRO  92  -3.281 -14.093 -14.093
  661   1HD   PRO  92          2HD       PRO  92  -4.389 -11.529 -11.529
  662   2HD   PRO  92          1HD       PRO  92  -3.650 -12.491 -12.491
  663    H    GLU  93           H        GLU  93  -2.992  -9.599  -9.599
  664    HA   GLU  93           HA       GLU  93  -1.972  -9.025  -9.025
  665   1HB   GLU  93          2HB       GLU  93  -4.231  -8.126  -8.126
  666   2HB   GLU  93          1HB       GLU  93  -4.336  -9.769  -9.769
  667   1HG   GLU  93          2HG       GLU  93  -4.337  -8.349  -8.349
  668   2HG   GLU  93          1HG       GLU  93  -5.152  -7.214  -7.214
  669    H    LEU  94           H        LEU  94  -2.732  -7.656  -7.656
  670    HA   LEU  94           HA       LEU  94  -1.912  -4.923  -4.923
  671   1HB   LEU  94          2HB       LEU  94  -2.865  -5.902  -5.902
  672   2HB   LEU  94          1HB       LEU  94  -2.907  -4.260  -4.260
  673    HG   LEU  94           HG       LEU  94  -4.586  -6.625  -6.625
  674   1HD1  LEU  94          2HD1      LEU  94  -5.186  -3.774  -3.774
  675   2HD1  LEU  94          1HD1      LEU  94  -6.402  -4.965  -4.965
  676   3HD1  LEU  94          3HD1      LEU  94  -5.422  -5.217  -5.217
  677   1HD2  LEU  94          3HD2      LEU  94  -3.586  -5.499  -5.499
  678   2HD2  LEU  94          2HD2      LEU  94  -5.347  -5.360  -5.360
  679   3HD2  LEU  94          1HD2      LEU  94  -4.330  -3.991  -3.991
  680    H    ASP  95           H        ASP  95   0.143  -6.661  -6.661
  681    HA   ASP  95           HA       ASP  95   1.582  -6.568  -6.568
  682   1HB   ASP  95          2HB       ASP  95   3.063  -8.179  -8.179
  683   2HB   ASP  95          1HB       ASP  95   1.391  -8.700  -8.700
  684    H    GLY  96           H        GLY  96   3.590  -5.675  -5.675
  685   1HA   GLY  96          2HA       GLY  96   5.616  -4.543  -4.543
  686   2HA   GLY  96          1HA       GLY  96   4.733  -4.083  -4.083
  687    H    ILE  97           H        ILE  97   3.227  -3.897  -3.897
  688    HA   ILE  97           HA       ILE  97   2.602  -1.122  -1.122
  689    HB   ILE  97           HB       ILE  97   1.002  -2.672  -2.672
  690   1HG1  ILE  97          2HG1      ILE  97   1.296  -0.180  -0.180
  691   2HG1  ILE  97          1HG1      ILE  97   0.100  -1.249  -1.249
  692   1HG2  ILE  97          2HG2      ILE  97   3.241  -3.241  -3.241
  693   2HG2  ILE  97          1HG2      ILE  97   1.608  -3.328  -3.328
  694   3HG2  ILE  97          3HG2      ILE  97   2.062  -4.339  -4.339
  695   1HD1  ILE  97          3HD1      ILE  97   2.781  -1.451  -1.451
  696   2HD1  ILE  97          2HD1      ILE  97   2.023   0.128   0.128
  697   3HD1  ILE  97          1HD1      ILE  97   1.205  -1.320  -1.320
  698    H    VAL  98           H        VAL  98   3.640   0.593   0.593
  699    HA   VAL  98           HA       VAL  98   5.949   0.515   0.515
  700    HB   VAL  98           HB       VAL  98   4.496   2.884   2.884
  701   1HG1  VAL  98          1HG1      VAL  98   7.192   2.347   2.347
  702   2HG1  VAL  98          3HG1      VAL  98   7.100   3.486   3.486
  703   3HG1  VAL  98          2HG1      VAL  98   6.175   3.782   3.782
  704   1HG2  VAL  98          1HG2      VAL  98   6.387   0.879   0.879
  705   2HG2  VAL  98          3HG2      VAL  98   4.832   1.447   1.447
  706   3HG2  VAL  98          2HG2      VAL  98   6.232   2.519   2.519
  707    H    VAL  99           H        VAL  99   5.595   0.698   0.698
  708    HA   VAL  99           HA       VAL  99   3.026   1.954   1.954
  709    HB   VAL  99           HB       VAL  99   4.987   0.658   0.658
  710   1HG1  VAL  99          1HG1      VAL  99   2.073   1.119   1.119
  711   2HG1  VAL  99          3HG1      VAL  99   2.570  -0.411  -0.411
  712   3HG1  VAL  99          2HG1      VAL  99   3.155   1.122   1.122
  713   1HG2  VAL  99          1HG2      VAL  99   3.705  -0.643  -0.643
  714   2HG2  VAL  99          3HG2      VAL  99   5.165  -1.062  -1.062
  715   3HG2  VAL  99          2HG2      VAL  99   3.584  -1.493  -1.493
  716    H    ASP 100           H        ASP 100   3.503   2.818   2.818
  717    HA   ASP 100           HA       ASP 100   6.032   4.177   4.177
  718   1HB   ASP 100          2HB       ASP 100   3.521   5.688   5.688
  719   2HB   ASP 100          1HB       ASP 100   4.896   6.460   6.460
  720    H    VAL 101           H        VAL 101   6.327   4.566   4.566
  721    HA   VAL 101           HA       VAL 101   4.021   3.966   3.966
  722    HB   VAL 101           HB       VAL 101   7.009   3.920   3.920
  723   1HG1  VAL 101          1HG1      VAL 101   5.197   4.822   4.822
  724   2HG1  VAL 101          3HG1      VAL 101   6.161   3.420   3.420
  725   3HG1  VAL 101          2HG1      VAL 101   6.958   4.897   4.897
  726   1HG2  VAL 101          1HG2      VAL 101   5.568   1.905   1.905
  727   2HG2  VAL 101          3HG2      VAL 101   6.588   1.704   1.704
  728   3HG2  VAL 101          2HG2      VAL 101   4.869   2.048   2.048
  729    HA   PRO 102           HA       PRO 102   3.479   8.387   8.387
  730   1HB   PRO 102          2HB       PRO 102   1.523   8.289   8.289
  731   2HB   PRO 102          1HB       PRO 102   1.237   7.967   7.967
  732   1HG   PRO 102          2HG       PRO 102   1.708   6.013   6.013
  733   2HG   PRO 102          1HG       PRO 102   0.475   5.986   5.986
  734   1HD   PRO 102          2HD       PRO 102   2.657   4.494   4.494
  735   2HD   PRO 102          1HD       PRO 102   2.003   5.332   5.332
  736    H    ASP 103           H        ASP 103   3.242   9.994   9.994
  737    HA   ASP 103           HA       ASP 103   5.253   9.208   9.208
  738   1HB   ASP 103          2HB       ASP 103   5.502  11.777  11.777
  739   2HB   ASP 103          1HB       ASP 103   6.100  10.972  10.972
  740    H    ARG 104           H        ARG 104   4.046   8.461   8.461
  741    HA   ARG 104           HA       ARG 104   1.656   9.860   9.860
  742   1HB   ARG 104          2HB       ARG 104   3.228   7.368   7.368
  743   2HB   ARG 104          1HB       ARG 104   1.854   7.896   7.896
  744   1HG   ARG 104          2HG       ARG 104   1.801   7.305   7.305
  745   2HG   ARG 104          1HG       ARG 104   1.086   6.307   6.307
  746   1HD   ARG 104          2HD       ARG 104  -0.795   7.543   7.543
  747   2HD   ARG 104          1HD       ARG 104   0.051   8.834   8.834
  748    HE   ARG 104           HE       ARG 104   0.799   9.751   9.751
  749   1HH1  ARG 104          1HH1      ARG 104   0.949   7.008   7.008
  750   2HH1  ARG 104          2HH1      ARG 104  -0.278   7.136   7.136
  751   1HH2  ARG 104          1HH2      ARG 104  -1.825   9.841   9.841
  752   2HH2  ARG 104          2HH2      ARG 104  -1.835   8.744   8.744
  753    H    GLN 105           H        GLN 105   4.855   8.933   8.933
  754    HA   GLN 105           HA       GLN 105   4.552  10.473  10.473
  755   1HB   GLN 105          2HB       GLN 105   6.951   9.940   9.940
  756   2HB   GLN 105          1HB       GLN 105   6.058   8.526   8.526
  757   1HG   GLN 105          2HG       GLN 105   6.672   9.588   9.588
  758   2HG   GLN 105          1HG       GLN 105   8.031  10.218  10.218
  759   1HE2  GLN 105          2HE2      GLN 105   9.707   7.136   7.136
  760   2HE2  GLN 105          1HE2      GLN 105   9.795   8.829   8.829
  761    H    TRP 106           H        TRP 106   4.038  12.656  12.656
  762    HA   TRP 106           HA       TRP 106   5.478  14.210  14.210
  763   1HB   TRP 106          2HB       TRP 106   3.205  14.406  14.406
  764   2HB   TRP 106          1HB       TRP 106   4.237  15.787  15.787
  765    HD1  TRP 106           HD       TRP 106   1.435  15.291  15.291
  766    HE1  TRP 106          1HE       TRP 106   1.465  16.608  16.608
  767    HE3  TRP 106          3HE       TRP 106   6.412  16.400  16.400
  768    HZ2  TRP 106          2HZ       TRP 106   3.352  17.955  17.955
  769    HZ3  TRP 106          3HZ       TRP 106   7.300  17.700  17.700
  770    HH2  TRP 106           HH       TRP 106   5.776  18.478  18.478

  Start of MODEL    6
    1   1H    SER   1          3HT       SER   1   3.940 -11.233 -11.233
    2   2H    SER   1          2HT       SER   1   2.737 -10.378 -10.378
    3   3H    SER   1          1HT       SER   1   2.380 -11.102 -11.102
    4    HA   SER   1           HA       SER   1   3.627  -9.532  -9.532
    5   1HB   SER   1          2HB       SER   1   1.786  -8.246  -8.246
    6   2HB   SER   1          1HB       SER   1   1.730  -8.751  -8.751
    7    HG   SER   1           HG       SER   1   3.038  -7.131  -7.131
    8    H    LYS   2           H        LYS   2   5.007  -7.535  -7.535
    9    HA   LYS   2           HA       LYS   2   7.225  -7.930  -7.930
   10   1HB   LYS   2          2HB       LYS   2   7.184  -7.279  -7.279
   11   2HB   LYS   2          1HB       LYS   2   6.954  -5.650  -5.650
   12   1HG   LYS   2          2HG       LYS   2   8.979  -6.032  -6.032
   13   2HG   LYS   2          1HG       LYS   2   9.256  -7.533  -7.533
   14   1HD   LYS   2          2HD       LYS   2   8.799  -5.407  -5.407
   15   2HD   LYS   2          1HD       LYS   2  10.056  -4.913  -4.913
   16   1HE   LYS   2          2HE       LYS   2  11.243  -7.077  -7.077
   17   2HE   LYS   2          1HE       LYS   2  10.024  -7.461  -7.461
   18   1HZ   LYS   2          3HZ       LYS   2  10.598  -5.014  -5.014
   19   2HZ   LYS   2          2HZ       LYS   2  12.086  -5.382  -5.382
   20   3HZ   LYS   2          1HZ       LYS   2  11.506  -6.337  -6.337
   21    H    VAL   3           H        VAL   3   6.866  -7.013  -7.013
   22    HA   VAL   3           HA       VAL   3   5.254  -4.499  -4.499
   23    HB   VAL   3           HB       VAL   3   5.748  -6.825  -6.825
   24   1HG1  VAL   3          3HG1      VAL   3   4.728  -4.084  -4.084
   25   2HG1  VAL   3          2HG1      VAL   3   4.588  -5.535  -5.535
   26   3HG1  VAL   3          1HG1      VAL   3   6.179  -4.881  -4.881
   27   1HG2  VAL   3          1HG2      VAL   3   3.827  -6.819  -6.819
   28   2HG2  VAL   3          3HG2      VAL   3   3.287  -6.756  -6.756
   29   3HG2  VAL   3          2HG2      VAL   3   3.280  -5.293  -5.293
   30    H    VAL   4           H        VAL   4   6.138  -2.674  -2.674
   31    HA   VAL   4           HA       VAL   4   8.838  -2.825  -2.825
   32    HB   VAL   4           HB       VAL   4   7.883  -1.377  -1.377
   33   1HG1  VAL   4          2HG1      VAL   4   9.678  -0.193  -0.193
   34   2HG1  VAL   4          1HG1      VAL   4   9.946   0.189   0.189
   35   3HG1  VAL   4          3HG1      VAL   4   8.408   0.591   0.591
   36   1HG2  VAL   4          1HG2      VAL   4  10.106  -3.081  -3.081
   37   2HG2  VAL   4          3HG2      VAL   4   9.426  -2.846  -2.846
   38   3HG2  VAL   4          2HG2      VAL   4  10.617  -1.707  -1.707
   39    H    TYR   5           H        TYR   5   8.807  -1.865  -1.865
   40    HA   TYR   5           HA       TYR   5   6.536  -0.112  -0.112
   41   1HB   TYR   5          2HB       TYR   5   8.602  -1.803  -1.803
   42   2HB   TYR   5          1HB       TYR   5   7.493  -0.795  -0.795
   43    HD1  TYR   5          2HD       TYR   5   4.955  -1.017  -1.017
   44    HD2  TYR   5          1HD       TYR   5   8.029  -4.019  -4.019
   45    HE1  TYR   5          2HE       TYR   5   3.235  -2.783  -2.783
   46    HE2  TYR   5          1HE       TYR   5   6.342  -5.695  -5.695
   47    HH   TYR   5           HH       TYR   5   3.524  -5.713  -5.713
   48    H    VAL   6           H        VAL   6   6.878   1.983   1.983
   49    HA   VAL   6           HA       VAL   6   9.774   2.833   2.833
   50    HB   VAL   6           HB       VAL   6   7.512   4.657   4.657
   51   1HG1  VAL   6          1HG1      VAL   6  10.289   4.966   4.966
   52   2HG1  VAL   6          3HG1      VAL   6  10.062   5.204   5.204
   53   3HG1  VAL   6          2HG1      VAL   6   9.156   6.186   6.186
   54   1HG2  VAL   6          2HG2      VAL   6   7.884   2.544   2.544
   55   2HG2  VAL   6          1HG2      VAL   6   7.814   4.126   4.126
   56   3HG2  VAL   6          3HG2      VAL   6   9.371   3.355   3.355
   57    H    SER   7           H        SER   7  10.188   4.529   4.529
   58    HA   SER   7           HA       SER   7   8.125   4.669   4.669
   59   1HB   SER   7          2HB       SER   7  10.085   4.896   4.896
   60   2HB   SER   7          1HB       SER   7  10.143   3.394   3.394
   61    HG   SER   7           HG       SER   7  11.320   5.654   5.654
   62    H    HIS   8           H        HIS   8   7.626   6.767   6.767
   63    HA   HIS   8           HA       HIS   8   7.900   8.981   8.981
   64   1HB   HIS   8          2HB       HIS   8   7.549  10.236  10.236
   65   2HB   HIS   8          1HB       HIS   8   6.336   9.051   9.051
   66    HD1  HIS   8          1HD       HIS   8   5.701   7.648   7.648
   67    HD2  HIS   8          2HD       HIS   8   9.712   8.678   8.678
   68    HE1  HIS   8          1HE       HIS   8   6.572   6.513   6.513
   69    H    ASP   9           H        ASP   9  10.303   7.550   7.550
   70    HA   ASP   9           HA       ASP   9  12.043   9.933   9.933
   71   1HB   ASP   9          2HB       ASP   9  13.392   8.615   8.615
   72   2HB   ASP   9          1HB       ASP   9  11.713   8.288   8.288
   73    H    GLY  10           H        GLY  10  11.346   7.457   7.457
   74   1HA   GLY  10          2HA       GLY  10  12.528   7.511   7.511
   75   2HA   GLY  10          1HA       GLY  10  14.024   7.778   7.778
   76    H    THR  11           H        THR  11  13.531   5.710   5.710
   77    HA   THR  11           HA       THR  11  14.764   3.496   3.496
   78    HB   THR  11           HB       THR  11  13.499   4.264   4.264
   79    HG1  THR  11          1HG       THR  11  15.672   3.308   3.308
   80   1HG2  THR  11          3HG2      THR  11  11.761   2.546   2.546
   81   2HG2  THR  11          2HG2      THR  11  13.036   1.340   1.340
   82   3HG2  THR  11          1HG2      THR  11  12.502   2.254   2.254
   83    H    ARG  12           H        ARG  12  14.093   1.908   1.908
   84    HA   ARG  12           HA       ARG  12  11.157   1.576   1.576
   85   1HB   ARG  12          2HB       ARG  12  13.415   2.322   2.322
   86   2HB   ARG  12          1HB       ARG  12  12.530   0.943   0.943
   87   1HG   ARG  12          2HG       ARG  12  10.449   2.167   2.167
   88   2HG   ARG  12          1HG       ARG  12  11.210   3.511   3.511
   89   1HD   ARG  12          2HD       ARG  12  12.634   2.853   2.853
   90   2HD   ARG  12          1HD       ARG  12  10.946   3.310   3.310
   91    HE   ARG  12           HE       ARG  12  12.508   5.001   5.001
   92   1HH1  ARG  12          1HH1      ARG  12   9.968   5.016   5.016
   93   2HH1  ARG  12          2HH1      ARG  12  10.423   6.450   6.450
   94   1HH2  ARG  12          1HH2      ARG  12  13.568   6.638   6.638
   95   2HH2  ARG  12          2HH2      ARG  12  12.461   7.369   7.369
   96    H    ARG  13           H        ARG  13  10.499  -0.592  -0.592
   97    HA   ARG  13           HA       ARG  13  12.583  -2.725  -2.725
   98   1HB   ARG  13          2HB       ARG  13  10.186  -3.858  -3.858
   99   2HB   ARG  13          1HB       ARG  13  11.579  -3.424  -3.424
  100   1HG   ARG  13          2HG       ARG  13   9.915  -1.094  -1.094
  101   2HG   ARG  13          1HG       ARG  13   8.968  -2.411  -2.411
  102   1HD   ARG  13          2HD       ARG  13  11.293  -2.493  -2.493
  103   2HD   ARG  13          1HD       ARG  13  11.038  -0.753  -0.753
  104    HE   ARG  13           HE       ARG  13   9.188  -2.589  -2.589
  105   1HH1  ARG  13          1HH2      ARG  13   8.661  -0.158  -0.158
  106   2HH1  ARG  13          2HH2      ARG  13   7.841   0.912   0.912
  107   1HH2  ARG  13          1HH1      ARG  13   8.608  -0.944  -0.944
  108   2HH2  ARG  13          2HH1      ARG  13   7.811   0.468   0.468
  109    H    GLU  14           H        GLU  14  11.831  -4.798  -4.798
  110    HA   GLU  14           HA       GLU  14   9.808  -4.273  -4.273
  111   1HB   GLU  14          2HB       GLU  14  12.466  -5.735  -5.735
  112   2HB   GLU  14          1HB       GLU  14  11.350  -5.373  -5.373
  113   1HG   GLU  14          2HG       GLU  14  11.636  -2.904  -2.904
  114   2HG   GLU  14          1HG       GLU  14  13.017  -3.440  -3.440
  115    H    LEU  15           H        LEU  15   8.181  -5.805  -5.805
  116    HA   LEU  15           HA       LEU  15   8.896  -8.386  -8.386
  117   1HB   LEU  15          2HB       LEU  15   6.544  -6.574  -6.574
  118   2HB   LEU  15          1HB       LEU  15   6.181  -8.294  -8.294
  119    HG   LEU  15           HG       LEU  15   7.841  -6.697  -6.697
  120   1HD1  LEU  15          2HD1      LEU  15   5.138  -7.139  -7.139
  121   2HD1  LEU  15          1HD1      LEU  15   5.705  -8.533  -8.533
  122   3HD1  LEU  15          3HD1      LEU  15   6.084  -6.908  -6.908
  123   1HD2  LEU  15          1HD2      LEU  15   8.237  -9.345  -9.345
  124   2HD2  LEU  15          3HD2      LEU  15   8.843  -8.532  -8.532
  125   3HD2  LEU  15          2HD2      LEU  15   7.306  -9.418  -9.418
  126    H    ASP  16           H        ASP  16   8.320 -10.327 -10.327
  127    HA   ASP  16           HA       ASP  16   7.454 -10.253 -10.253
  128   1HB   ASP  16          2HB       ASP  16   9.097 -12.001 -12.001
  129   2HB   ASP  16          1HB       ASP  16   8.123 -12.839 -12.839
  130    H    VAL  17           H        VAL  17   5.203  -9.909  -9.909
  131    HA   VAL  17           HA       VAL  17   3.855 -11.764 -11.764
  132    HB   VAL  17           HB       VAL  17   3.022  -9.285  -9.285
  133   1HG1  VAL  17          3HG1      VAL  17   1.563 -11.006 -11.006
  134   2HG1  VAL  17          2HG1      VAL  17   1.088  -9.346  -9.346
  135   3HG1  VAL  17          1HG1      VAL  17   1.039 -10.575 -10.575
  136   1HG2  VAL  17          3HG2      VAL  17   4.320  -9.826  -9.826
  137   2HG2  VAL  17          2HG2      VAL  17   4.253  -8.329  -8.329
  138   3HG2  VAL  17          1HG2      VAL  17   2.911  -8.773  -8.773
  139    H    ALA  18           H        ALA  18   1.645 -12.533 -12.533
  140    HA   ALA  18           HA       ALA  18   1.749 -13.509 -13.509
  141   1HB   ALA  18          3HB       ALA  18   2.176 -15.205 -15.205
  142   2HB   ALA  18          2HB       ALA  18   0.637 -14.800 -14.800
  143   3HB   ALA  18          1HB       ALA  18   0.664 -15.535 -15.535
  144    H    ASP  19           H        ASP  19  -0.899 -14.721 -14.721
  145    HA   ASP  19           HA       ASP  19  -2.548 -12.261 -12.261
  146   1HB   ASP  19          2HB       ASP  19  -3.169 -13.332 -13.332
  147   2HB   ASP  19          1HB       ASP  19  -2.158 -14.701 -14.701
  148    H    GLY  20           H        GLY  20  -3.870 -11.816 -11.816
  149   1HA   GLY  20          2HA       GLY  20  -5.795 -12.545 -12.545
  150   2HA   GLY  20          1HA       GLY  20  -4.975 -14.093 -14.093
  151    H    VAL  21           H        VAL  21  -2.705 -11.641 -11.641
  152    HA   VAL  21           HA       VAL  21  -2.711 -11.687 -11.687
  153    HB   VAL  21           HB       VAL  21  -0.688 -11.812 -11.812
  154   1HG1  VAL  21          2HG1      VAL  21  -0.213 -10.288 -10.288
  155   2HG1  VAL  21          1HG1      VAL  21   1.092 -10.974 -10.974
  156   3HG1  VAL  21          3HG1      VAL  21   0.046  -9.745  -9.745
  157   1HG2  VAL  21          2HG2      VAL  21  -1.410 -13.217 -13.217
  158   2HG2  VAL  21          1HG2      VAL  21  -0.381 -13.760 -13.760
  159   3HG2  VAL  21          3HG2      VAL  21   0.313 -12.821 -12.821
  160    H    SER  22           H        SER  22  -1.574  -9.694  -9.694
  161    HA   SER  22           HA       SER  22  -2.514  -7.186  -7.186
  162   1HB   SER  22          2HB       SER  22  -2.154  -6.880  -6.880
  163   2HB   SER  22          1HB       SER  22  -3.651  -6.808  -6.808
  164    HG   SER  22           HG       SER  22  -2.559  -8.859  -8.859
  165    H    LEU  23           H        LEU  23  -1.156  -5.245  -5.245
  166    HA   LEU  23           HA       LEU  23   1.656  -5.771  -5.771
  167   1HB   LEU  23          2HB       LEU  23   0.004  -3.426  -3.426
  168   2HB   LEU  23          1HB       LEU  23   1.743  -3.355  -3.355
  169    HG   LEU  23           HG       LEU  23   2.047  -2.982  -2.982
  170   1HD1  LEU  23          3HD1      LEU  23   0.080  -5.229  -5.229
  171   2HD1  LEU  23          2HD1      LEU  23   0.620  -4.262  -4.262
  172   3HD1  LEU  23          1HD1      LEU  23   1.792  -5.173  -5.173
  173   1HD2  LEU  23          2HD2      LEU  23  -0.925  -2.612  -2.612
  174   2HD2  LEU  23          1HD2      LEU  23   0.336  -1.383  -1.383
  175   3HD2  LEU  23          3HD2      LEU  23  -0.131  -2.292  -2.292
  176    H    MET  24           H        MET  24  -0.322  -6.116  -6.116
  177    HA   MET  24           HA       MET  24   1.839  -5.697  -5.697
  178   1HB   MET  24          2HB       MET  24  -0.421  -4.983  -4.983
  179   2HB   MET  24          1HB       MET  24  -1.020  -6.621  -6.621
  180   1HG   MET  24          2HG       MET  24   1.107  -6.872  -6.872
  181   2HG   MET  24          1HG       MET  24   0.172  -5.489  -5.489
  182   1HE   MET  24          2HE       MET  24   0.000  -6.432  -6.432
  183   2HE   MET  24          1HE       MET  24  -1.720  -6.656  -6.656
  184   3HE   MET  24          3HE       MET  24  -0.610  -8.026  -8.026
  185    H    GLN  25           H        GLN  25  -0.455  -8.362  -8.362
  186    HA   GLN  25           HA       GLN  25   0.803 -10.288 -10.288
  187   1HB   GLN  25          2HB       GLN  25  -0.995 -11.368 -11.368
  188   2HB   GLN  25          1HB       GLN  25  -1.146 -10.070 -10.070
  189   1HG   GLN  25          2HG       GLN  25   0.625 -12.487 -12.487
  190   2HG   GLN  25          1HG       GLN  25  -0.958 -12.259 -12.259
  191   1HE2  GLN  25          2HE2      GLN  25   0.661  -9.100  -9.100
  192   2HE2  GLN  25          1HE2      GLN  25  -0.405  -9.240  -9.240
  193    H    ALA  26           H        ALA  26   2.069  -9.120  -9.120
  194    HA   ALA  26           HA       ALA  26   4.039 -11.345 -11.345
  195   1HB   ALA  26          3HB       ALA  26   3.369  -8.956  -8.956
  196   2HB   ALA  26          2HB       ALA  26   4.805  -9.952  -9.952
  197   3HB   ALA  26          1HB       ALA  26   3.179 -10.671 -10.671
  198    H    ALA  27           H        ALA  27   3.797  -7.827  -7.827
  199    HA   ALA  27           HA       ALA  27   6.528  -7.208  -7.208
  200   1HB   ALA  27          3HB       ALA  27   3.772  -6.057  -6.057
  201   2HB   ALA  27          2HB       ALA  27   5.141  -5.283  -5.283
  202   3HB   ALA  27          1HB       ALA  27   5.090  -5.414  -5.414
  203    H    VAL  28           H        VAL  28   3.639  -7.653  -7.653
  204    HA   VAL  28           HA       VAL  28   4.407  -7.592  -7.592
  205    HB   VAL  28           HB       VAL  28   2.459  -8.774  -8.774
  206   1HG1  VAL  28          2HG1      VAL  28   3.544 -10.650 -10.650
  207   2HG1  VAL  28          1HG1      VAL  28   1.815 -10.642 -10.642
  208   3HG1  VAL  28          3HG1      VAL  28   2.960 -11.007 -11.007
  209   1HG2  VAL  28          3HG2      VAL  28   2.112  -7.094  -7.094
  210   2HG2  VAL  28          2HG2      VAL  28   0.961  -8.435  -8.435
  211   3HG2  VAL  28          1HG2      VAL  28   2.281  -8.405  -8.405
  212    H    SER  29           H        SER  29   4.615 -10.603 -10.603
  213    HA   SER  29           HA       SER  29   6.268 -12.048 -12.048
  214   1HB   SER  29          2HB       SER  29   6.705 -12.803 -12.803
  215   2HB   SER  29          1HB       SER  29   5.701 -13.619 -13.619
  216    HG   SER  29           HG       SER  29   5.013 -11.933 -11.933
  217    H    ASN  30           H        ASN  30   6.925 -10.176 -10.176
  218    HA   ASN  30           HA       ASN  30   9.749 -10.575 -10.575
  219   1HB   ASN  30          2HB       ASN  30   7.630  -8.773  -8.773
  220   2HB   ASN  30          1HB       ASN  30   9.281  -8.185  -8.185
  221   1HD2  ASN  30          2HD2      ASN  30   8.083 -11.477 -11.477
  222   2HD2  ASN  30          1HD2      ASN  30   7.146 -10.925 -10.925
  223    H    GLY  31           H        GLY  31   7.929  -9.073  -9.073
  224   1HA   GLY  31          2HA       GLY  31   8.799  -7.967  -7.967
  225   2HA   GLY  31          1HA       GLY  31  10.330  -7.737  -7.737
  226    H    ILE  32           H        ILE  32   8.646  -6.704  -6.704
  227    HA   ILE  32           HA       ILE  32   9.009  -3.973  -3.973
  228    HB   ILE  32           HB       ILE  32   6.844  -5.672  -5.672
  229   1HG1  ILE  32          2HG1      ILE  32   9.327  -4.288  -4.288
  230   2HG1  ILE  32          1HG1      ILE  32   9.029  -6.024  -6.024
  231   1HG2  ILE  32          3HG2      ILE  32   7.325  -2.698  -2.698
  232   2HG2  ILE  32          2HG2      ILE  32   6.326  -3.675  -3.675
  233   3HG2  ILE  32          1HG2      ILE  32   5.855  -3.464  -3.464
  234   1HD1  ILE  32          1HD1      ILE  32   6.862  -5.169  -5.169
  235   2HD1  ILE  32          3HD1      ILE  32   8.124  -4.073  -4.073
  236   3HD1  ILE  32          2HD1      ILE  32   8.344  -5.817  -5.817
  237    H    TYR  33           H        TYR  33   6.269  -5.846  -5.846
  238    HA   TYR  33           HA       TYR  33   5.361  -3.348  -3.348
  239   1HB   TYR  33          2HB       TYR  33   3.932  -5.864  -5.864
  240   2HB   TYR  33          1HB       TYR  33   3.175  -4.605  -4.605
  241    HD1  TYR  33          2HD       TYR  33   4.259  -2.158  -2.158
  242    HD2  TYR  33          1HD       TYR  33   3.137  -5.676  -5.676
  243    HE1  TYR  33          2HE       TYR  33   3.927  -0.781  -0.781
  244    HE2  TYR  33          1HE       TYR  33   2.819  -4.329  -4.329
  245    HH   TYR  33           HH       TYR  33   3.003  -2.294  -2.294
  246    H    ASP  34           H        ASP  34   7.248  -4.043  -4.043
  247    HA   ASP  34           HA       ASP  34   6.428  -6.116  -6.116
  248   1HB   ASP  34          2HB       ASP  34   8.602  -5.611  -5.611
  249   2HB   ASP  34          1HB       ASP  34   8.817  -5.683  -5.683
  250    H    ILE  35           H        ILE  35   4.655  -3.892  -3.892
  251    HA   ILE  35           HA       ILE  35   4.980  -1.843  -1.843
  252    HB   ILE  35           HB       ILE  35   2.804  -1.145  -1.145
  253   1HG1  ILE  35          2HG1      ILE  35   2.281  -3.037  -3.037
  254   2HG1  ILE  35          1HG1      ILE  35   2.649  -3.998  -3.998
  255   1HG2  ILE  35          1HG2      ILE  35   5.040  -1.986  -1.986
  256   2HG2  ILE  35          3HG2      ILE  35   3.520  -1.602  -1.602
  257   3HG2  ILE  35          2HG2      ILE  35   4.311  -0.396  -0.396
  258   1HD1  ILE  35          2HD1      ILE  35   1.045  -2.277  -2.277
  259   2HD1  ILE  35          1HD1      ILE  35   0.434  -2.026  -2.026
  260   3HD1  ILE  35          3HD1      ILE  35   0.371  -3.630  -3.630
  261    H    VAL  36           H        VAL  36   2.311  -1.714  -1.714
  262    HA   VAL  36           HA       VAL  36   2.391  -3.664  -3.664
  263    HB   VAL  36           HB       VAL  36   0.169  -1.724  -1.724
  264   1HG1  VAL  36          2HG1      VAL  36   1.151  -3.210  -3.210
  265   2HG1  VAL  36          1HG1      VAL  36   0.654  -1.544  -1.544
  266   3HG1  VAL  36          3HG1      VAL  36  -0.485  -2.692  -2.692
  267   1HG2  VAL  36          1HG2      VAL  36   2.978  -1.127  -1.127
  268   2HG2  VAL  36          3HG2      VAL  36   1.656  -0.026  -0.026
  269   3HG2  VAL  36          2HG2      VAL  36   1.992  -0.446  -0.446
  270    H    GLY  37           H        GLY  37  -0.116  -4.460  -4.460
  271   1HA   GLY  37          2HA       GLY  37  -0.893  -6.000  -6.000
  272   2HA   GLY  37          1HA       GLY  37  -1.132  -6.572  -6.572
  273    H    ASP  38           H        ASP  38  -2.260  -4.226  -4.226
  274    HA   ASP  38           HA       ASP  38  -4.772  -3.909  -3.909
  275   1HB   ASP  38          2HB       ASP  38  -2.949  -2.006  -2.006
  276   2HB   ASP  38          1HB       ASP  38  -4.060  -1.917  -1.917
  277    H    CYS  39           H        CYS  39  -3.372  -4.884  -4.884
  278    HA   CYS  39           HA       CYS  39  -6.014  -4.957  -4.957
  279   1HB   CYS  39          2HB       CYS  39  -4.443  -5.295  -5.295
  280   2HB   CYS  39          1HB       CYS  39  -4.432  -3.725  -3.725
  281    H    GLY  40           H        GLY  40  -3.089  -6.894  -6.894
  282   1HA   GLY  40          2HA       GLY  40  -2.747  -9.223  -9.223
  283   2HA   GLY  40          1HA       GLY  40  -4.347  -9.317  -9.317
  284    H    GLY  41           H        GLY  41  -3.677  -7.835  -7.835
  285   1HA   GLY  41          2HA       GLY  41  -4.210  -8.568  -8.568
  286   2HA   GLY  41          1HA       GLY  41  -4.643 -10.145 -10.145
  287    H    SER  42           H        SER  42  -5.938  -7.144  -7.144
  288    HA   SER  42           HA       SER  42  -8.571  -7.828  -7.828
  289   1HB   SER  42          2HB       SER  42  -7.996  -8.363  -8.363
  290   2HB   SER  42          1HB       SER  42  -8.372  -6.656  -6.656
  291    HG   SER  42           HG       SER  42 -10.121  -8.413  -8.413
  292    H    ALA  43           H        ALA  43  -6.213  -5.483  -5.483
  293    HA   ALA  43           HA       ALA  43  -6.170  -3.268  -3.268
  294   1HB   ALA  43          2HB       ALA  43  -8.122  -4.485  -4.485
  295   2HB   ALA  43          1HB       ALA  43  -9.081  -3.282  -3.282
  296   3HB   ALA  43          3HB       ALA  43  -7.758  -2.770  -2.770
  297    H    SER  44           H        SER  44  -6.238  -3.348  -3.348
  298    HA   SER  44           HA       SER  44  -8.089  -1.118  -1.118
  299   1HB   SER  44          2HB       SER  44  -9.157  -2.761  -2.761
  300   2HB   SER  44          1HB       SER  44  -7.753  -3.818  -3.818
  301    HG   SER  44           HG       SER  44  -7.792  -3.134  -3.134
  302    H    CYS  45           H        CYS  45  -5.362  -1.113  -1.113
  303    HA   CYS  45           HA       CYS  45  -3.844  -0.557  -0.557
  304   1HB   CYS  45          2HB       CYS  45  -1.851  -0.837  -0.837
  305   2HB   CYS  45          1HB       CYS  45  -2.677  -2.225  -2.225
  306    H    ALA  46           H        ALA  46  -2.449   1.185   1.185
  307    HA   ALA  46           HA       ALA  46  -3.000   3.500   3.500
  308   1HB   ALA  46          2HB       ALA  46  -3.386   3.223   3.223
  309   2HB   ALA  46          1HB       ALA  46  -1.773   3.934   3.934
  310   3HB   ALA  46          3HB       ALA  46  -3.127   4.772   4.772
  311    H    THR  47           H        THR  47  -0.742   1.153   1.153
  312    HA   THR  47           HA       THR  47   1.592   2.973   2.973
  313    HB   THR  47           HB       THR  47   2.827   0.843   0.843
  314    HG1  THR  47          1HG       THR  47   0.527  -0.211  -0.211
  315   1HG2  THR  47          1HG2      THR  47   0.840   2.170   2.170
  316   2HG2  THR  47          3HG2      THR  47   2.234   1.223   1.223
  317   3HG2  THR  47          2HG2      THR  47   2.473   2.735   2.735
  318    H    CYS  48           H        CYS  48  -0.065   0.085   0.085
  319    HA   CYS  48           HA       CYS  48   1.965  -0.288  -0.288
  320   1HB   CYS  48          2HB       CYS  48  -0.797  -1.357  -1.357
  321   2HB   CYS  48          1HB       CYS  48   0.743  -2.098  -2.098
  322    H    HIS  49           H        HIS  49  -0.052   2.238   2.238
  323    HA   HIS  49           HA       HIS  49  -1.564   2.516   2.516
  324   1HB   HIS  49          2HB       HIS  49  -1.508   4.052   4.052
  325   2HB   HIS  49          1HB       HIS  49   0.077   4.620   4.620
  326    HD1  HIS  49          1HD       HIS  49  -0.991   7.023   7.023
  327    HD2  HIS  49          2HD       HIS  49  -2.534   4.050   4.050
  328    HE1  HIS  49          1HE       HIS  49  -2.228   8.202   8.202
  329    H    VAL  50           H        VAL  50  -1.014   3.365   3.365
  330    HA   VAL  50           HA       VAL  50   1.791   3.974   3.974
  331    HB   VAL  50           HB       VAL  50   1.807   2.076   2.076
  332   1HG1  VAL  50          1HG1      VAL  50   2.957   2.063   2.063
  333   2HG1  VAL  50          3HG1      VAL  50   1.581   1.137   1.137
  334   3HG1  VAL  50          2HG1      VAL  50   2.601   0.477   0.477
  335   1HG2  VAL  50          1HG2      VAL  50  -0.735   1.819   1.819
  336   2HG2  VAL  50          3HG2      VAL  50   0.212   0.329   0.329
  337   3HG2  VAL  50          2HG2      VAL  50  -0.395   0.947   0.947
  338    H    TYR  51           H        TYR  51   2.027   4.510   4.510
  339    HA   TYR  51           HA       TYR  51  -0.537   5.433   5.433
  340   1HB   TYR  51          2HB       TYR  51   2.136   6.668   6.668
  341   2HB   TYR  51          1HB       TYR  51   1.323   7.068   7.068
  342    HD1  TYR  51          1HD       TYR  51   0.210   6.473   6.473
  343    HD2  TYR  51          2HD       TYR  51   0.147   9.094   9.094
  344    HE1  TYR  51          1HE       TYR  51  -1.376   7.941   7.941
  345    HE2  TYR  51          2HE       TYR  51  -1.397  10.613  10.613
  346    HH   TYR  51           HH       TYR  51  -2.237  10.060  10.060
  347    H    VAL  52           H        VAL  52  -0.922   4.361   4.361
  348    HA   VAL  52           HA       VAL  52   1.280   2.793   2.793
  349    HB   VAL  52           HB       VAL  52  -1.646   2.946   2.946
  350   1HG1  VAL  52          3HG1      VAL  52   0.265   1.825   1.825
  351   2HG1  VAL  52          2HG1      VAL  52   0.135   0.534   0.534
  352   3HG1  VAL  52          1HG1      VAL  52  -1.270   0.985   0.985
  353   1HG2  VAL  52          3HG2      VAL  52  -0.298   1.749   1.749
  354   2HG2  VAL  52          2HG2      VAL  52  -2.009   2.098   2.098
  355   3HG2  VAL  52          1HG2      VAL  52  -1.307   0.616   0.616
  356    H    ASN  53           H        ASN  53   1.891   3.113   3.113
  357    HA   ASN  53           HA       ASN  53   1.615   5.879   5.879
  358   1HB   ASN  53          2HB       ASN  53   2.845   4.987   4.987
  359   2HB   ASN  53          1HB       ASN  53   3.659   4.660   4.660
  360   1HD2  ASN  53          2HD2      ASN  53   1.863   1.214   1.214
  361   2HD2  ASN  53          1HD2      ASN  53   1.053   2.528   2.528
  362    H    GLU  54           H        GLU  54   0.055   6.676   6.676
  363    HA   GLU  54           HA       GLU  54  -2.411   5.706   5.706
  364   1HB   GLU  54          2HB       GLU  54  -2.354   7.155   7.155
  365   2HB   GLU  54          1HB       GLU  54  -1.622   7.922   7.922
  366   1HG   GLU  54          2HG       GLU  54   0.584   6.791   6.791
  367   2HG   GLU  54          1HG       GLU  54  -0.309   6.838   6.838
  368    H    ALA  55           H        ALA  55   0.492   4.613   4.613
  369    HA   ALA  55           HA       ALA  55  -0.808   3.361   3.361
  370   1HB   ALA  55          2HB       ALA  55   1.815   3.093   3.093
  371   2HB   ALA  55          1HB       ALA  55   1.421   1.987   1.987
  372   3HB   ALA  55          3HB       ALA  55   1.503   3.723   3.723
  373    H    PHE  56           H        PHE  56  -0.623   2.399   2.399
  374    HA   PHE  56           HA       PHE  56  -1.741  -0.281  -0.281
  375   1HB   PHE  56          2HB       PHE  56   0.230   0.503   0.503
  376   2HB   PHE  56          1HB       PHE  56  -0.460  -1.114  -1.114
  377    HD1  PHE  56          1HD       PHE  56   1.431   1.493   1.493
  378    HD2  PHE  56          2HD       PHE  56   0.506  -2.728  -2.728
  379    HE1  PHE  56          1HE       PHE  56   3.039   1.018   1.018
  380    HE2  PHE  56          2HE       PHE  56   2.109  -3.145  -3.145
  381    HZ   PHE  56           HZ       PHE  56   3.378  -1.301  -1.301
  382    H    THR  57           H        THR  57  -2.174   2.611   2.611
  383    HA   THR  57           HA       THR  57  -3.976   1.507   1.507
  384    HB   THR  57           HB       THR  57  -3.818   3.605   3.605
  385    HG1  THR  57          1HG       THR  57  -5.161   4.771   4.771
  386   1HG2  THR  57          3HG2      THR  57  -1.480   3.205   3.205
  387   2HG2  THR  57          2HG2      THR  57  -1.930   4.270   4.270
  388   3HG2  THR  57          1HG2      THR  57  -1.892   4.891   4.891
  389    H    ASP  58           H        ASP  58  -4.276   3.543   3.543
  390    HA   ASP  58           HA       ASP  58  -7.133   3.593   3.593
  391   1HB   ASP  58          2HB       ASP  58  -6.694   4.771   4.771
  392   2HB   ASP  58          1HB       ASP  58  -5.078   4.827   4.827
  393    H    LYS  59           H        LYS  59  -4.799   1.174   1.174
  394    HA   LYS  59           HA       LYS  59  -6.411  -0.448  -0.448
  395   1HB   LYS  59          2HB       LYS  59  -4.182  -1.389  -1.389
  396   2HB   LYS  59          1HB       LYS  59  -4.560  -1.918  -1.918
  397   1HG   LYS  59          2HG       LYS  59  -3.242   0.667   0.667
  398   2HG   LYS  59          1HG       LYS  59  -2.626  -0.564  -0.564
  399   1HD   LYS  59          2HD       LYS  59  -5.105   1.083   1.083
  400   2HD   LYS  59          1HD       LYS  59  -3.497   1.505   1.505
  401   1HE   LYS  59          2HE       LYS  59  -3.349  -0.515  -0.515
  402   2HE   LYS  59          1HE       LYS  59  -4.809  -1.178  -1.178
  403   1HZ   LYS  59          3HZ       LYS  59  -4.823   1.427   1.427
  404   2HZ   LYS  59          2HZ       LYS  59  -5.113  -0.030  -0.030
  405   3HZ   LYS  59          1HZ       LYS  59  -6.147   0.458   0.458
  406    H    VAL  60           H        VAL  60  -5.148  -0.791  -0.791
  407    HA   VAL  60           HA       VAL  60  -6.770  -3.031  -3.031
  408    HB   VAL  60           HB       VAL  60  -4.374  -1.945  -1.945
  409   1HG1  VAL  60          3HG1      VAL  60  -5.263   0.006   0.006
  410   2HG1  VAL  60          2HG1      VAL  60  -6.073  -1.009  -1.009
  411   3HG1  VAL  60          1HG1      VAL  60  -4.310  -0.960  -0.960
  412   1HG2  VAL  60          3HG2      VAL  60  -6.082  -3.752  -3.752
  413   2HG2  VAL  60          2HG2      VAL  60  -4.675  -4.107  -4.107
  414   3HG2  VAL  60          1HG2      VAL  60  -4.465  -3.319  -3.319
  415    HA   PRO  61           HA       PRO  61 -10.314  -0.734  -0.734
  416   1HB   PRO  61          2HB       PRO  61 -11.355  -2.574  -2.574
  417   2HB   PRO  61          1HB       PRO  61 -11.487  -2.692  -2.692
  418   1HG   PRO  61          2HG       PRO  61  -9.576  -4.045  -4.045
  419   2HG   PRO  61          1HG       PRO  61 -10.429  -4.703  -4.703
  420   1HD   PRO  61          2HD       PRO  61  -7.834  -3.969  -3.969
  421   2HD   PRO  61          1HD       PRO  61  -8.925  -3.790  -3.790
  422    H    ALA  62           H        ALA  62 -11.236   0.231   0.231
  423    HA   ALA  62           HA       ALA  62  -9.269   1.117   1.117
  424   1HB   ALA  62          1HB       ALA  62 -11.544   2.039   2.039
  425   2HB   ALA  62          3HB       ALA  62 -12.051   1.904   1.904
  426   3HB   ALA  62          2HB       ALA  62 -10.657   2.899   2.899
  427    H    ALA  63           H        ALA  63 -10.695   1.496   1.496
  428    HA   ALA  63           HA       ALA  63 -11.229  -1.287  -1.287
  429   1HB   ALA  63          2HB       ALA  63 -10.184   1.246   1.246
  430   2HB   ALA  63          1HB       ALA  63 -10.619  -0.186  -0.186
  431   3HB   ALA  63          3HB       ALA  63  -9.317  -0.270  -0.270
  432    H    ASN  64           H        ASN  64 -12.534  -0.795  -0.795
  433    HA   ASN  64           HA       ASN  64 -15.126   0.351   0.351
  434   1HB   ASN  64          2HB       ASN  64 -16.040  -1.011  -1.011
  435   2HB   ASN  64          1HB       ASN  64 -14.944  -1.995  -1.995
  436   1HD2  ASN  64          2HD2      ASN  64 -13.807  -2.750  -2.750
  437   2HD2  ASN  64          1HD2      ASN  64 -15.021  -3.200  -3.200
  438    H    GLU  65           H        GLU  65 -15.933   0.515   0.515
  439    HA   GLU  65           HA       GLU  65 -15.176   3.310   3.310
  440   1HB   GLU  65          2HB       GLU  65 -16.860   3.176   3.176
  441   2HB   GLU  65          1HB       GLU  65 -17.430   2.146   2.146
  442   1HG   GLU  65          2HG       GLU  65 -17.720   0.678   0.678
  443   2HG   GLU  65          1HG       GLU  65 -16.042   0.305   0.305
  444    H    ARG  66           H        ARG  66 -14.144   0.170   0.170
  445    HA   ARG  66           HA       ARG  66 -12.944   0.966   0.966
  446   1HB   ARG  66          2HB       ARG  66 -13.188  -1.333  -1.333
  447   2HB   ARG  66          1HB       ARG  66 -11.476  -1.122  -1.122
  448   1HG   ARG  66          2HG       ARG  66 -12.029  -0.961  -0.961
  449   2HG   ARG  66          1HG       ARG  66 -13.732  -1.232  -1.232
  450   1HD   ARG  66          2HD       ARG  66 -11.584  -3.186  -3.186
  451   2HD   ARG  66          1HD       ARG  66 -12.397  -3.314  -3.314
  452    HE   ARG  66           HE       ARG  66 -13.653  -3.758  -3.758
  453   1HH1  ARG  66          1HH2      ARG  66 -15.813  -2.304  -2.304
  454   2HH1  ARG  66          2HH2      ARG  66 -16.667  -3.167  -3.167
  455   1HH2  ARG  66          1HH1      ARG  66 -13.980  -5.205  -5.205
  456   2HH2  ARG  66          2HH1      ARG  66 -15.629  -4.809  -4.809
  457    H    GLU  67           H        GLU  67 -11.535   0.522   0.522
  458    HA   GLU  67           HA       GLU  67  -8.894   1.386   1.386
  459   1HB   GLU  67          2HB       GLU  67  -9.335   0.268   0.268
  460   2HB   GLU  67          1HB       GLU  67 -10.689   1.323   1.323
  461   1HG   GLU  67          2HG       GLU  67  -8.541   1.733   1.733
  462   2HG   GLU  67          1HG       GLU  67  -9.238   3.145   3.145
  463    H    ILE  68           H        ILE  68 -11.813   3.196   3.196
  464    HA   ILE  68           HA       ILE  68 -10.487   5.735   5.735
  465    HB   ILE  68           HB       ILE  68 -13.257   4.716   4.716
  466   1HG1  ILE  68          2HG1      ILE  68 -13.716   5.579   5.579
  467   2HG1  ILE  68          1HG1      ILE  68 -12.224   6.519   6.519
  468   1HG2  ILE  68          1HG2      ILE  68 -12.968   6.838   6.838
  469   2HG2  ILE  68          3HG2      ILE  68 -12.571   7.663   7.663
  470   3HG2  ILE  68          2HG2      ILE  68 -14.172   6.956   6.956
  471   1HD1  ILE  68          2HD1      ILE  68 -12.126   3.527   3.527
  472   2HD1  ILE  68          1HD1      ILE  68 -12.277   4.248   4.248
  473   3HD1  ILE  68          3HD1      ILE  68 -10.876   4.618   4.618
  474    H    GLY  69           H        GLY  69 -11.158   3.874   3.874
  475   1HA   GLY  69          2HA       GLY  69 -11.041   6.234   6.234
  476   2HA   GLY  69          1HA       GLY  69 -11.302   4.578   4.578
  477    H    MET  70           H        MET  70  -9.228   3.132   3.132
  478    HA   MET  70           HA       MET  70  -7.035   3.831   3.831
  479   1HB   MET  70          2HB       MET  70  -7.062   2.444   2.444
  480   2HB   MET  70          1HB       MET  70  -5.750   2.360   2.360
  481   1HG   MET  70          2HG       MET  70  -6.744   0.458   0.458
  482   2HG   MET  70          1HG       MET  70  -7.836   1.514   1.514
  483   1HE   MET  70          3HE       MET  70  -6.995  -0.566  -0.566
  484   2HE   MET  70          2HE       MET  70  -8.340  -0.516  -0.516
  485   3HE   MET  70          1HE       MET  70  -7.294   0.906   0.906
  486    H    LEU  71           H        LEU  71  -7.525   4.233   4.233
  487    HA   LEU  71           HA       LEU  71  -5.136   5.618   5.618
  488   1HB   LEU  71          2HB       LEU  71  -6.996   4.220   4.220
  489   2HB   LEU  71          1HB       LEU  71  -7.802   5.784   5.784
  490    HG   LEU  71           HG       LEU  71  -5.394   4.727   4.727
  491   1HD1  LEU  71          2HD1      LEU  71  -7.903   5.998   5.998
  492   2HD1  LEU  71          1HD1      LEU  71  -6.592   6.963   6.963
  493   3HD1  LEU  71          3HD1      LEU  71  -6.755   5.260   5.260
  494   1HD2  LEU  71          1HD2      LEU  71  -5.565   7.578   7.578
  495   2HD2  LEU  71          3HD2      LEU  71  -4.233   6.443   6.443
  496   3HD2  LEU  71          2HD2      LEU  71  -4.584   7.102   7.102
  497    H    GLU  72           H        GLU  72  -8.325   6.697   6.697
  498    HA   GLU  72           HA       GLU  72  -7.975   9.501   9.501
  499   1HB   GLU  72          2HB       GLU  72 -10.187   8.867   8.867
  500   2HB   GLU  72          1HB       GLU  72  -9.789   7.752   7.752
  501   1HG   GLU  72          2HG       GLU  72 -10.075   9.336   9.336
  502   2HG   GLU  72          1HG       GLU  72  -9.185  10.550  10.550
  503    H    CYS  73           H        CYS  73  -7.428   7.544   7.544
  504    HA   CYS  73           HA       CYS  73  -6.819   9.539   9.539
  505   1HB   CYS  73          2HB       CYS  73  -6.401   6.732   6.732
  506   2HB   CYS  73          1HB       CYS  73  -4.904   7.424   7.424
  507    HG   CYS  73           HG       CYS  73  -7.257   6.890   6.890
  508    H    VAL  74           H        VAL  74  -4.695   8.155   8.155
  509    HA   VAL  74           HA       VAL  74  -2.514  10.022  10.022
  510    HB   VAL  74           HB       VAL  74  -1.401   8.764   8.764
  511   1HG1  VAL  74          3HG1      VAL  74  -1.096   8.155   8.155
  512   2HG1  VAL  74          2HG1      VAL  74  -2.537   7.141   7.141
  513   3HG1  VAL  74          1HG1      VAL  74  -1.110   6.722   6.722
  514   1HG2  VAL  74          1HG2      VAL  74  -3.711   8.133   8.133
  515   2HG2  VAL  74          3HG2      VAL  74  -2.480   6.874   6.874
  516   3HG2  VAL  74          2HG2      VAL  74  -3.751   6.885   6.885
  517    H    THR  75           H        THR  75  -4.341  11.722  11.722
  518    HA   THR  75           HA       THR  75  -5.137  12.323  12.323
  519    HB   THR  75           HB       THR  75  -5.740  13.521  13.521
  520    HG1  THR  75          1HG       THR  75  -5.557  15.640  15.640
  521   1HG2  THR  75          3HG2      THR  75  -2.898  13.711  13.711
  522   2HG2  THR  75          2HG2      THR  75  -3.546  15.350  15.350
  523   3HG2  THR  75          1HG2      THR  75  -4.118  14.234  14.234
  524    H    ALA  76           H        ALA  76  -3.419  11.736  11.736
  525    HA   ALA  76           HA       ALA  76  -1.204  13.761  13.761
  526   1HB   ALA  76          2HB       ALA  76  -1.122  10.918  10.918
  527   2HB   ALA  76          1HB       ALA  76  -0.432  11.294  11.294
  528   3HB   ALA  76          3HB       ALA  76   0.235  12.036  12.036
  529    H    GLU  77           H        GLU  77  -2.929  14.781  14.781
  530    HA   GLU  77           HA       GLU  77  -3.942  15.065  15.065
  531   1HB   GLU  77          2HB       GLU  77  -2.153  15.119  15.119
  532   2HB   GLU  77          1HB       GLU  77  -1.616  15.868  15.868
  533   1HG   GLU  77          2HG       GLU  77  -0.358  13.921  13.921
  534   2HG   GLU  77          1HG       GLU  77  -1.078  12.967  12.967
  535    H    LEU  78           H        LEU  78  -4.981  12.924  12.924
  536    HA   LEU  78           HA       LEU  78  -4.410  10.410  10.410
  537   1HB   LEU  78          2HB       LEU  78  -6.305  11.742  11.742
  538   2HB   LEU  78          1HB       LEU  78  -7.225  11.017  11.017
  539    HG   LEU  78           HG       LEU  78  -5.665   8.927   8.927
  540   1HD1  LEU  78          1HD1      LEU  78  -5.051  10.751  10.751
  541   2HD1  LEU  78          3HD1      LEU  78  -5.955   9.410   9.410
  542   3HD1  LEU  78          2HD1      LEU  78  -4.478   9.096   9.096
  543   1HD2  LEU  78          1HD2      LEU  78  -8.160   9.825   9.825
  544   2HD2  LEU  78          3HD2      LEU  78  -8.028   8.705   8.705
  545   3HD2  LEU  78          2HD2      LEU  78  -7.469   8.221   8.221
  546    H    LYS  79           H        LYS  79  -4.333   9.839   9.839
  547    HA   LYS  79           HA       LYS  79  -6.078  11.276  11.276
  548   1HB   LYS  79          2HB       LYS  79  -4.084   9.352   9.352
  549   2HB   LYS  79          1HB       LYS  79  -4.346  11.026  11.026
  550   1HG   LYS  79          2HG       LYS  79  -3.259  11.435  11.435
  551   2HG   LYS  79          1HG       LYS  79  -2.510   9.890   9.890
  552   1HD   LYS  79          2HD       LYS  79  -1.056  10.951  10.951
  553   2HD   LYS  79          1HD       LYS  79  -2.403  11.515  11.515
  554   1HE   LYS  79          2HE       LYS  79  -2.725  13.354  13.354
  555   2HE   LYS  79          1HE       LYS  79  -1.109  12.903  12.903
  556   1HZ   LYS  79          2HZ       LYS  79  -0.536  12.983  12.983
  557   2HZ   LYS  79          1HZ       LYS  79  -1.903  13.986  13.986
  558   3HZ   LYS  79          3HZ       LYS  79  -0.601  14.433  14.433
  559    HA   PRO  80           HA       PRO  80  -8.215   7.504   7.504
  560   1HB   PRO  80          2HB       PRO  80  -7.723   6.667   6.667
  561   2HB   PRO  80          1HB       PRO  80  -8.746   8.068   8.068
  562   1HG   PRO  80          2HG       PRO  80  -5.954   7.963   7.963
  563   2HG   PRO  80          1HG       PRO  80  -7.223   9.151   9.151
  564   1HD   PRO  80          2HD       PRO  80  -5.128   9.513   9.513
  565   2HD   PRO  80          1HD       PRO  80  -6.652  10.421  10.421
  566    H    ASN  81           H        ASN  81  -4.836   7.309   7.309
  567    HA   ASN  81           HA       ASN  81  -4.761   4.373   4.373
  568   1HB   ASN  81          2HB       ASN  81  -2.363   4.767   4.767
  569   2HB   ASN  81          1HB       ASN  81  -3.430   5.588   5.588
  570   1HD2  ASN  81          2HD2      ASN  81  -0.948   8.124   8.124
  571   2HD2  ASN  81          1HD2      ASN  81  -1.000   6.694   6.694
  572    H    SER  82           H        SER  82  -4.022   7.179   7.179
  573    HA   SER  82           HA       SER  82  -2.285   6.090   6.090
  574   1HB   SER  82          2HB       SER  82  -4.770   7.683   7.683
  575   2HB   SER  82          1HB       SER  82  -3.192   7.804   7.804
  576    HG   SER  82           HG       SER  82  -2.677   8.286   8.286
  577    H    ARG  83           H        ARG  83  -2.640   3.933   3.933
  578    HA   ARG  83           HA       ARG  83  -5.225   3.453   3.453
  579   1HB   ARG  83          2HB       ARG  83  -4.521   2.451   2.451
  580   2HB   ARG  83          1HB       ARG  83  -4.499   1.090   1.090
  581   1HG   ARG  83          2HG       ARG  83  -6.737   1.025   1.025
  582   2HG   ARG  83          1HG       ARG  83  -6.772   2.576   2.576
  583   1HD   ARG  83          2HD       ARG  83  -7.989   2.978   2.978
  584   2HD   ARG  83          1HD       ARG  83  -6.372   3.605   3.605
  585    HE   ARG  83           HE       ARG  83  -6.625   0.770   0.770
  586   1HH1  ARG  83          1HH1      ARG  83  -8.365   3.358   3.358
  587   2HH1  ARG  83          2HH1      ARG  83  -7.809   3.227   3.227
  588   1HH2  ARG  83          1HH2      ARG  83  -5.385   0.859   0.859
  589   2HH2  ARG  83          2HH2      ARG  83  -6.122   1.812   1.812
  590    H    LEU  84           H        LEU  84  -5.136   1.290   1.290
  591    HA   LEU  84           HA       LEU  84  -2.646   1.188   1.188
  592   1HB   LEU  84          2HB       LEU  84  -5.426   0.675   0.675
  593   2HB   LEU  84          1HB       LEU  84  -4.565  -0.814  -0.814
  594    HG   LEU  84           HG       LEU  84  -4.069   1.913   1.913
  595   1HD1  LEU  84          2HD1      LEU  84  -5.369  -0.632  -0.632
  596   2HD1  LEU  84          1HD1      LEU  84  -4.424   0.170   0.170
  597   3HD1  LEU  84          3HD1      LEU  84  -5.743   1.024   1.024
  598   1HD2  LEU  84          2HD2      LEU  84  -2.503  -0.665  -0.665
  599   2HD2  LEU  84          1HD2      LEU  84  -1.922   0.969   0.969
  600   3HD2  LEU  84          3HD2      LEU  84  -2.403   0.485   0.485
  601    H    SER  85           H        SER  85  -1.109  -0.389  -0.389
  602    HA   SER  85           HA       SER  85  -0.542  -1.980  -1.980
  603   1HB   SER  85          2HB       SER  85   1.004  -2.961  -2.961
  604   2HB   SER  85          1HB       SER  85   0.588  -1.572  -1.572
  605    HG   SER  85           HG       SER  85   0.544  -3.767  -3.767
  606    H    CYS  86           H        CYS  86  -2.875  -2.683  -2.683
  607    HA   CYS  86           HA       CYS  86  -3.318  -5.397  -5.397
  608   1HB   CYS  86          2HB       CYS  86  -4.554  -4.186  -4.186
  609   2HB   CYS  86          1HB       CYS  86  -4.272  -5.883  -5.883
  610    H    GLN  87           H        GLN  87  -4.224  -3.100  -3.100
  611    HA   GLN  87           HA       GLN  87  -7.132  -3.649  -3.649
  612   1HB   GLN  87          2HB       GLN  87  -5.604  -1.117  -1.117
  613   2HB   GLN  87          1HB       GLN  87  -7.091  -1.175  -1.175
  614   1HG   GLN  87          2HG       GLN  87  -6.810  -1.769  -1.769
  615   2HG   GLN  87          1HG       GLN  87  -7.624  -0.385  -0.385
  616   1HE2  GLN  87          2HE2      GLN  87  -9.497  -4.033  -4.033
  617   2HE2  GLN  87          1HE2      GLN  87  -7.836  -3.930  -3.930
  618    H    ILE  88           H        ILE  88  -4.536  -2.524  -2.524
  619    HA   ILE  88           HA       ILE  88  -6.203  -3.101  -3.101
  620    HB   ILE  88           HB       ILE  88  -3.257  -2.808  -2.808
  621   1HG1  ILE  88          2HG1      ILE  88  -5.094  -0.663  -0.663
  622   2HG1  ILE  88          1HG1      ILE  88  -3.540  -1.189  -1.189
  623   1HG2  ILE  88          2HG2      ILE  88  -5.527  -2.640  -2.640
  624   2HG2  ILE  88          1HG2      ILE  88  -4.985  -0.972  -0.972
  625   3HG2  ILE  88          3HG2      ILE  88  -3.880  -2.191  -2.191
  626   1HD1  ILE  88          1HD1      ILE  88  -3.127  -0.358  -0.358
  627   2HD1  ILE  88          3HD1      ILE  88  -4.042   0.903   0.903
  628   3HD1  ILE  88          2HD1      ILE  88  -2.488   0.376   0.376
  629    H    ILE  89           H        ILE  89  -5.826  -4.749  -4.749
  630    HA   ILE  89           HA       ILE  89  -4.374  -7.120  -7.120
  631    HB   ILE  89           HB       ILE  89  -6.844  -6.718  -6.718
  632   1HG1  ILE  89          2HG1      ILE  89  -7.322  -6.797  -6.797
  633   2HG1  ILE  89          1HG1      ILE  89  -7.691  -8.413  -8.413
  634   1HG2  ILE  89          2HG2      ILE  89  -5.390  -8.424  -8.424
  635   2HG2  ILE  89          1HG2      ILE  89  -5.379  -9.336  -9.336
  636   3HG2  ILE  89          3HG2      ILE  89  -6.889  -9.109  -9.109
  637   1HD1  ILE  89          1HD1      ILE  89  -5.279  -9.028  -9.028
  638   2HD1  ILE  89          3HD1      ILE  89  -5.259  -7.509  -7.509
  639   3HD1  ILE  89          2HD1      ILE  89  -6.417  -8.771  -8.771
  640    H    MET  90           H        MET  90  -3.310  -8.479  -8.479
  641    HA   MET  90           HA       MET  90  -2.266  -6.869  -6.869
  642   1HB   MET  90          2HB       MET  90  -1.008  -8.119  -8.119
  643   2HB   MET  90          1HB       MET  90  -0.849  -9.310  -9.310
  644   1HG   MET  90          2HG       MET  90   0.091  -6.437  -6.437
  645   2HG   MET  90          1HG       MET  90   1.059  -7.897  -7.897
  646   1HE   MET  90          2HE       MET  90   1.047  -5.382  -5.382
  647   2HE   MET  90          1HE       MET  90   1.343  -5.792  -5.792
  648   3HE   MET  90          3HE       MET  90  -0.178  -5.017  -5.017
  649    H    THR  91           H        THR  91  -3.116  -7.506  -7.506
  650    HA   THR  91           HA       THR  91  -4.198 -10.258 -10.258
  651    HB   THR  91           HB       THR  91  -4.691  -8.947  -8.947
  652    HG1  THR  91          1HG       THR  91  -5.092  -6.782  -6.782
  653   1HG2  THR  91          1HG2      THR  91  -6.194  -8.634  -8.634
  654   2HG2  THR  91          3HG2      THR  91  -6.868  -8.342  -8.342
  655   3HG2  THR  91          2HG2      THR  91  -6.369  -9.969  -9.969
  656    HA   PRO  92           HA       PRO  92  -0.847 -11.587 -11.587
  657   1HB   PRO  92          2HB       PRO  92  -2.089 -13.181 -13.181
  658   2HB   PRO  92          1HB       PRO  92  -1.901 -13.632 -13.632
  659   1HG   PRO  92          2HG       PRO  92  -4.291 -12.675 -12.675
  660   2HG   PRO  92          1HG       PRO  92  -4.164 -13.745 -13.745
  661   1HD   PRO  92          2HD       PRO  92  -4.866 -11.039 -11.039
  662   2HD   PRO  92          1HD       PRO  92  -4.386 -12.023 -12.023
  663    H    GLU  93           H        GLU  93  -3.104  -9.446  -9.446
  664    HA   GLU  93           HA       GLU  93  -1.730  -9.268  -9.268
  665   1HB   GLU  93          2HB       GLU  93  -3.777  -8.154  -8.154
  666   2HB   GLU  93          1HB       GLU  93  -4.216  -9.644  -9.644
  667   1HG   GLU  93          2HG       GLU  93  -5.642  -8.188  -8.188
  668   2HG   GLU  93          1HG       GLU  93  -4.225  -8.008  -8.008
  669    H    LEU  94           H        LEU  94  -2.563  -7.533  -7.533
  670    HA   LEU  94           HA       LEU  94  -1.516  -4.954  -4.954
  671   1HB   LEU  94          2HB       LEU  94  -3.061  -6.071  -6.071
  672   2HB   LEU  94          1HB       LEU  94  -1.915  -4.836  -4.836
  673    HG   LEU  94           HG       LEU  94  -3.915  -4.527  -4.527
  674   1HD1  LEU  94          1HD1      LEU  94  -4.726  -4.595  -4.595
  675   2HD1  LEU  94          3HD1      LEU  94  -3.874  -3.063  -3.063
  676   3HD1  LEU  94          2HD1      LEU  94  -5.202  -3.209  -3.209
  677   1HD2  LEU  94          3HD2      LEU  94  -1.491  -3.311  -3.311
  678   2HD2  LEU  94          2HD2      LEU  94  -2.899  -2.527  -2.527
  679   3HD2  LEU  94          1HD2      LEU  94  -2.494  -2.221  -2.221
  680    H    ASP  95           H        ASP  95   0.696  -6.350  -6.350
  681    HA   ASP  95           HA       ASP  95   2.099  -6.501  -6.501
  682   1HB   ASP  95          2HB       ASP  95   3.774  -7.742  -7.742
  683   2HB   ASP  95          1HB       ASP  95   2.210  -8.509  -8.509
  684    H    GLY  96           H        GLY  96   4.068  -5.525  -5.525
  685   1HA   GLY  96          2HA       GLY  96   5.982  -4.134  -4.134
  686   2HA   GLY  96          1HA       GLY  96   5.052  -3.558  -3.558
  687    H    ILE  97           H        ILE  97   3.634  -3.871  -3.871
  688    HA   ILE  97           HA       ILE  97   2.796  -1.103  -1.103
  689    HB   ILE  97           HB       ILE  97   1.337  -2.880  -2.880
  690   1HG1  ILE  97          2HG1      ILE  97   1.447  -0.467  -0.467
  691   2HG1  ILE  97          1HG1      ILE  97   0.381  -1.694  -1.694
  692   1HG2  ILE  97          1HG2      ILE  97   3.575  -3.333  -3.333
  693   2HG2  ILE  97          3HG2      ILE  97   1.933  -3.865  -3.865
  694   3HG2  ILE  97          2HG2      ILE  97   2.776  -4.501  -4.501
  695   1HD1  ILE  97          2HD1      ILE  97   3.134  -1.727  -1.727
  696   2HD1  ILE  97          1HD1      ILE  97   2.212  -0.274  -0.274
  697   3HD1  ILE  97          3HD1      ILE  97   1.595  -1.859  -1.859
  698    H    VAL  98           H        VAL  98   3.550   0.612   0.612
  699    HA   VAL  98           HA       VAL  98   5.943   0.257   0.257
  700    HB   VAL  98           HB       VAL  98   4.777   2.755   2.755
  701   1HG1  VAL  98          3HG1      VAL  98   7.312   2.010   2.010
  702   2HG1  VAL  98          2HG1      VAL  98   7.407   3.197   3.197
  703   3HG1  VAL  98          1HG1      VAL  98   6.374   3.502   3.502
  704   1HG2  VAL  98          2HG2      VAL  98   5.289   0.928   0.928
  705   2HG2  VAL  98          1HG2      VAL  98   6.229   2.405   2.405
  706   3HG2  VAL  98          3HG2      VAL  98   6.966   0.993   0.993
  707    H    VAL  99           H        VAL  99   5.595   0.533   0.533
  708    HA   VAL  99           HA       VAL  99   3.041   1.844   1.844
  709    HB   VAL  99           HB       VAL  99   4.889   0.589   0.589
  710   1HG1  VAL  99          1HG1      VAL  99   2.022   1.069   1.069
  711   2HG1  VAL  99          3HG1      VAL  99   2.403  -0.509  -0.509
  712   3HG1  VAL  99          2HG1      VAL  99   2.995   0.974   0.974
  713   1HG2  VAL  99          2HG2      VAL  99   3.904  -0.815  -0.815
  714   2HG2  VAL  99          1HG2      VAL  99   5.184  -1.236  -1.236
  715   3HG2  VAL  99          3HG2      VAL  99   3.507  -1.595  -1.595
  716    H    ASP 100           H        ASP 100   3.453   2.836   2.836
  717    HA   ASP 100           HA       ASP 100   6.038   4.083   4.083
  718   1HB   ASP 100          2HB       ASP 100   3.675   5.592   5.592
  719   2HB   ASP 100          1HB       ASP 100   4.932   6.429   6.429
  720    H    VAL 101           H        VAL 101   6.201   4.938   4.938
  721    HA   VAL 101           HA       VAL 101   3.893   4.224   4.224
  722    HB   VAL 101           HB       VAL 101   6.655   5.319   5.319
  723   1HG1  VAL 101          3HG1      VAL 101   4.782   6.061   6.061
  724   2HG1  VAL 101          2HG1      VAL 101   4.722   4.365   4.365
  725   3HG1  VAL 101          1HG1      VAL 101   6.206   5.293   5.293
  726   1HG2  VAL 101          2HG2      VAL 101   6.286   2.885   2.885
  727   2HG2  VAL 101          1HG2      VAL 101   7.134   3.118   3.118
  728   3HG2  VAL 101          3HG2      VAL 101   5.426   2.674   2.674
  729    HA   PRO 102           HA       PRO 102   2.423   8.341   8.341
  730   1HB   PRO 102          2HB       PRO 102   0.505   8.073   8.073
  731   2HB   PRO 102          1HB       PRO 102   0.389   7.341   7.341
  732   1HG   PRO 102          2HG       PRO 102   0.801   6.056   6.056
  733   2HG   PRO 102          1HG       PRO 102   0.390   5.345   5.345
  734   1HD   PRO 102          2HD       PRO 102   2.977   5.484   5.484
  735   2HD   PRO 102          1HD       PRO 102   2.495   4.564   4.564
  736    H    ASP 103           H        ASP 103   3.331  10.187  10.187
  737    HA   ASP 103           HA       ASP 103   4.051  10.175  10.175
  738   1HB   ASP 103          2HB       ASP 103   5.988  10.491  10.491
  739   2HB   ASP 103          1HB       ASP 103   5.144  11.525  11.525
  740    H    ARG 104           H        ARG 104   2.530  11.266  11.266
  741    HA   ARG 104           HA       ARG 104   1.156  13.582  13.582
  742   1HB   ARG 104          2HB       ARG 104  -0.072  12.691  12.691
  743   2HB   ARG 104          1HB       ARG 104  -0.764  12.771  12.771
  744   1HG   ARG 104          2HG       ARG 104  -0.884  10.511  10.511
  745   2HG   ARG 104          1HG       ARG 104   0.814  10.544  10.544
  746   1HD   ARG 104          2HD       ARG 104  -0.391  10.322  10.322
  747   2HD   ARG 104          1HD       ARG 104   0.787   9.248   9.248
  748    HE   ARG 104           HE       ARG 104   1.565  12.079  12.079
  749   1HH1  ARG 104          1HH2      ARG 104   3.954  11.171  11.171
  750   2HH1  ARG 104          2HH2      ARG 104   4.543  10.238  10.238
  751   1HH2  ARG 104          1HH1      ARG 104   1.411   9.811   9.811
  752   2HH2  ARG 104          2HH1      ARG 104   3.103   9.469   9.469
  753    H    GLN 105           H        GLN 105   3.640  12.965  12.965
  754    HA   GLN 105           HA       GLN 105   3.097  15.445  15.445
  755   1HB   GLN 105          2HB       GLN 105   3.309  12.987  12.987
  756   2HB   GLN 105          1HB       GLN 105   5.035  13.313  13.313
  757   1HG   GLN 105          2HG       GLN 105   3.556  15.558  15.558
  758   2HG   GLN 105          1HG       GLN 105   3.449  14.087  14.087
  759   1HE2  GLN 105          2HE2      GLN 105   6.591  15.962  15.962
  760   2HE2  GLN 105          1HE2      GLN 105   4.948  16.388  16.388
  761    H    TRP 106           H        TRP 106   4.140  16.124  16.124
  762    HA   TRP 106           HA       TRP 106   6.985  15.802  15.802
  763   1HB   TRP 106          2HB       TRP 106   5.392  16.402  16.402
  764   2HB   TRP 106          1HB       TRP 106   5.045  17.926  17.926
  765    HD1  TRP 106           HD       TRP 106   6.828  19.846  19.846
  766    HE1  TRP 106          1HE       TRP 106   8.932  20.185  20.185
  767    HE3  TRP 106          3HE       TRP 106   7.400  15.117  15.117
  768    HZ2  TRP 106          2HZ       TRP 106  10.634  18.652  18.652
  769    HZ3  TRP 106          3HZ       TRP 106   9.270  14.583  14.583
  770    HH2  TRP 106           HH       TRP 106  10.886  16.344  16.344

  Start of MODEL    7
    1   1H    SER   1          2HT       SER   1   2.104  -9.929  -9.929
    2   2H    SER   1          1HT       SER   1   0.695  -9.694  -9.694
    3   3H    SER   1          3HT       SER   1   1.385 -11.235 -11.235
    4    HA   SER   1           HA       SER   1   2.650 -10.851 -10.851
    5   1HB   SER   1          2HB       SER   1   0.745  -8.649  -8.649
    6   2HB   SER   1          1HB       SER   1   2.178  -8.183  -8.183
    7    HG   SER   1           HG       SER   1   1.760 -10.442 -10.442
    8    H    LYS   2           H        LYS   2   3.976  -8.533  -8.533
    9    HA   LYS   2           HA       LYS   2   6.279  -8.462  -8.462
   10   1HB   LYS   2          2HB       LYS   2   5.882  -8.249  -8.249
   11   2HB   LYS   2          1HB       LYS   2   5.969  -6.538  -6.538
   12   1HG   LYS   2          2HG       LYS   2   8.206  -6.676  -6.676
   13   2HG   LYS   2          1HG       LYS   2   8.042  -7.930  -7.930
   14   1HD   LYS   2          2HD       LYS   2   7.860  -9.648  -9.648
   15   2HD   LYS   2          1HD       LYS   2   7.979  -8.406  -8.406
   16   1HE   LYS   2          2HE       LYS   2  10.187  -7.954  -7.954
   17   2HE   LYS   2          1HE       LYS   2  10.120  -9.711  -9.711
   18   1HZ   LYS   2          3HZ       LYS   2   9.648  -7.908  -7.908
   19   2HZ   LYS   2          2HZ       LYS   2  11.243  -8.233  -8.233
   20   3HZ   LYS   2          1HZ       LYS   2  10.224  -9.503  -9.503
   21    H    VAL   3           H        VAL   3   6.563  -6.946  -6.946
   22    HA   VAL   3           HA       VAL   3   5.093  -4.359  -4.359
   23    HB   VAL   3           HB       VAL   3   5.030  -6.433  -6.433
   24   1HG1  VAL   3          1HG1      VAL   3   4.311  -3.501  -3.501
   25   2HG1  VAL   3          3HG1      VAL   3   3.834  -4.725  -4.725
   26   3HG1  VAL   3          2HG1      VAL   3   5.541  -4.353  -4.353
   27   1HG2  VAL   3          3HG2      VAL   3   3.332  -5.667  -5.667
   28   2HG2  VAL   3          2HG2      VAL   3   2.928  -6.719  -6.719
   29   3HG2  VAL   3          1HG2      VAL   3   2.604  -4.989  -4.989
   30    H    VAL   4           H        VAL   4   6.064  -2.610  -2.610
   31    HA   VAL   4           HA       VAL   4   8.676  -3.064  -3.064
   32    HB   VAL   4           HB       VAL   4   7.964  -1.274  -1.274
   33   1HG1  VAL   4          2HG1      VAL   4   9.869  -0.763  -0.763
   34   2HG1  VAL   4          1HG1      VAL   4  10.483  -0.482  -0.482
   35   3HG1  VAL   4          3HG1      VAL   4   9.052   0.381   0.381
   36   1HG2  VAL   4          2HG2      VAL   4   9.605  -3.620  -3.620
   37   2HG2  VAL   4          1HG2      VAL   4   9.134  -2.878  -2.878
   38   3HG2  VAL   4          3HG2      VAL   4  10.565  -2.302  -2.302
   39    H    TYR   5           H        TYR   5   8.660  -2.084  -2.084
   40    HA   TYR   5           HA       TYR   5   6.476  -0.175  -0.175
   41   1HB   TYR   5          2HB       TYR   5   8.458  -1.673  -1.673
   42   2HB   TYR   5          1HB       TYR   5   7.011  -0.833  -0.833
   43    HD1  TYR   5          2HD       TYR   5   4.817  -1.438  -1.438
   44    HD2  TYR   5          1HD       TYR   5   8.264  -4.016  -4.016
   45    HE1  TYR   5          2HE       TYR   5   3.415  -3.415  -3.415
   46    HE2  TYR   5          1HE       TYR   5   6.853  -5.905  -5.905
   47    HH   TYR   5           HH       TYR   5   3.754  -6.123  -6.123
   48    H    VAL   6           H        VAL   6   6.825   1.894   1.894
   49    HA   VAL   6           HA       VAL   6   9.706   2.782   2.782
   50    HB   VAL   6           HB       VAL   6   7.408   4.568   4.568
   51   1HG1  VAL   6          2HG1      VAL   6  10.018   5.103   5.103
   52   2HG1  VAL   6          1HG1      VAL   6  10.116   4.801   4.801
   53   3HG1  VAL   6          3HG1      VAL   6   9.044   6.057   6.057
   54   1HG2  VAL   6          2HG2      VAL   6   7.510   2.485   2.485
   55   2HG2  VAL   6          1HG2      VAL   6   7.694   4.019   4.019
   56   3HG2  VAL   6          3HG2      VAL   6   9.110   3.025   3.025
   57    H    SER   7           H        SER   7  10.251   3.858   3.858
   58    HA   SER   7           HA       SER   7   8.250   4.090   4.090
   59   1HB   SER   7          2HB       SER   7  10.280   4.983   4.983
   60   2HB   SER   7          1HB       SER   7  10.533   3.400   3.400
   61    HG   SER   7           HG       SER   7  11.350   5.938   5.938
   62    H    HIS   8           H        HIS   8   9.373   6.597   6.597
   63    HA   HIS   8           HA       HIS   8   8.117   8.492   8.492
   64   1HB   HIS   8          2HB       HIS   8   8.178   9.780   9.780
   65   2HB   HIS   8          1HB       HIS   8   6.805   8.895   8.895
   66    HD1  HIS   8          1HD       HIS   8   6.033   7.023   7.023
   67    HD2  HIS   8          2HD       HIS   8   9.940   8.023   8.023
   68    HE1  HIS   8          1HE       HIS   8   6.679   5.518   5.518
   69    H    ASP   9           H        ASP   9  11.035   7.530   7.530
   70    HA   ASP   9           HA       ASP   9  12.317  10.199  10.199
   71   1HB   ASP   9          2HB       ASP   9  14.161   9.132   9.132
   72   2HB   ASP   9          1HB       ASP   9  12.644   8.862   8.862
   73    H    GLY  10           H        GLY  10  11.542   7.629   7.629
   74   1HA   GLY  10          2HA       GLY  10  12.390   7.652   7.652
   75   2HA   GLY  10          1HA       GLY  10  13.990   7.995   7.995
   76    H    THR  11           H        THR  11  13.644   5.982   5.982
   77    HA   THR  11           HA       THR  11  14.899   3.769   3.769
   78    HB   THR  11           HB       THR  11  13.724   4.586   4.586
   79    HG1  THR  11          1HG       THR  11  15.584   3.839   3.839
   80   1HG2  THR  11          1HG2      THR  11  11.997   2.803   2.803
   81   2HG2  THR  11          3HG2      THR  11  13.309   1.634   1.634
   82   3HG2  THR  11          2HG2      THR  11  12.813   2.583   2.583
   83    H    ARG  12           H        ARG  12  14.210   2.072   2.072
   84    HA   ARG  12           HA       ARG  12  11.265   1.685   1.685
   85   1HB   ARG  12          2HB       ARG  12  13.548   1.884   1.884
   86   2HB   ARG  12          1HB       ARG  12  12.039   1.084   1.084
   87   1HG   ARG  12          2HG       ARG  12  10.999   3.317   3.317
   88   2HG   ARG  12          1HG       ARG  12  12.563   3.967   3.967
   89   1HD   ARG  12          2HD       ARG  12  10.682   2.429   2.429
   90   2HD   ARG  12          1HD       ARG  12  10.875   4.193   4.193
   91    HE   ARG  12           HE       ARG  12  13.351   2.599   2.599
   92   1HH1  ARG  12          1HH1      ARG  12  14.234   4.859   4.859
   93   2HH1  ARG  12          2HH1      ARG  12  13.644   5.079   5.079
   94   1HH2  ARG  12          1HH2      ARG  12  11.121   2.722   2.722
   95   2HH2  ARG  12          2HH2      ARG  12  11.882   3.869   3.869
   96    H    ARG  13           H        ARG  13  10.682  -0.497  -0.497
   97    HA   ARG  13           HA       ARG  13  12.704  -2.636  -2.636
   98   1HB   ARG  13          2HB       ARG  13  11.071  -1.926  -1.926
   99   2HB   ARG  13          1HB       ARG  13   9.883  -2.845  -2.845
  100   1HG   ARG  13          2HG       ARG  13  10.726  -4.778  -4.778
  101   2HG   ARG  13          1HG       ARG  13  12.323  -4.353  -4.353
  102   1HD   ARG  13          2HD       ARG  13  12.114  -4.751  -4.751
  103   2HD   ARG  13          1HD       ARG  13  12.938  -3.266  -3.266
  104    HE   ARG  13           HE       ARG  13  10.005  -3.120  -3.120
  105   1HH1  ARG  13          1HH2      ARG  13  10.788  -0.533  -0.533
  106   2HH1  ARG  13          2HH2      ARG  13  11.401  -0.117  -0.117
  107   1HH2  ARG  13          1HH1      ARG  13  11.849  -3.410  -3.410
  108   2HH2  ARG  13          2HH1      ARG  13  12.002  -1.746  -1.746
  109    H    GLU  14           H        GLU  14  12.077  -4.686  -4.686
  110    HA   GLU  14           HA       GLU  14   9.874  -4.355  -4.355
  111   1HB   GLU  14          2HB       GLU  14  12.612  -5.602  -5.602
  112   2HB   GLU  14          1HB       GLU  14  11.369  -5.385  -5.385
  113   1HG   GLU  14          2HG       GLU  14  11.493  -2.860  -2.860
  114   2HG   GLU  14          1HG       GLU  14  13.073  -3.311  -3.311
  115    H    LEU  15           H        LEU  15   8.402  -5.997  -5.997
  116    HA   LEU  15           HA       LEU  15   9.345  -8.583  -8.583
  117   1HB   LEU  15          2HB       LEU  15   6.844  -6.941  -6.941
  118   2HB   LEU  15          1HB       LEU  15   6.747  -8.681  -8.681
  119    HG   LEU  15           HG       LEU  15   8.475  -6.742  -6.742
  120   1HD1  LEU  15          3HD1      LEU  15   5.820  -7.819  -7.819
  121   2HD1  LEU  15          2HD1      LEU  15   6.873  -8.436  -8.436
  122   3HD1  LEU  15          1HD1      LEU  15   6.690  -6.697  -6.697
  123   1HD2  LEU  15          3HD2      LEU  15   9.532  -8.977  -8.977
  124   2HD2  LEU  15          2HD2      LEU  15   9.190  -8.597  -8.597
  125   3HD2  LEU  15          1HD2      LEU  15   8.115  -9.696  -9.696
  126    H    ASP  16           H        ASP  16   8.513 -10.499 -10.499
  127    HA   ASP  16           HA       ASP  16   7.402 -10.215 -10.215
  128   1HB   ASP  16          2HB       ASP  16   9.045 -12.258 -12.258
  129   2HB   ASP  16          1HB       ASP  16   8.137 -12.751 -12.751
  130    H    VAL  17           H        VAL  17   5.212  -9.897  -9.897
  131    HA   VAL  17           HA       VAL  17   4.022 -11.972 -11.972
  132    HB   VAL  17           HB       VAL  17   3.196  -9.259  -9.259
  133   1HG1  VAL  17          2HG1      VAL  17   1.595 -11.275 -11.275
  134   2HG1  VAL  17          1HG1      VAL  17   1.183  -9.561  -9.561
  135   3HG1  VAL  17          3HG1      VAL  17   1.161 -10.545 -10.545
  136   1HG2  VAL  17          3HG2      VAL  17   4.601 -10.199 -10.199
  137   2HG2  VAL  17          2HG2      VAL  17   4.109  -8.546  -8.546
  138   3HG2  VAL  17          1HG2      VAL  17   3.034  -9.602  -9.602
  139    H    ALA  18           H        ALA  18   1.887 -12.876 -12.876
  140    HA   ALA  18           HA       ALA  18   1.809 -13.349 -13.349
  141   1HB   ALA  18          3HB       ALA  18   2.363 -15.274 -15.274
  142   2HB   ALA  18          2HB       ALA  18   0.844 -15.043 -15.043
  143   3HB   ALA  18          1HB       ALA  18   0.826 -15.519 -15.519
  144    H    ASP  19           H        ASP  19  -0.859 -14.766 -14.766
  145    HA   ASP  19           HA       ASP  19  -2.541 -12.321 -12.321
  146   1HB   ASP  19          2HB       ASP  19  -3.906 -13.651 -13.651
  147   2HB   ASP  19          1HB       ASP  19  -2.282 -14.243 -14.243
  148    H    GLY  20           H        GLY  20  -3.780 -11.839 -11.839
  149   1HA   GLY  20          2HA       GLY  20  -5.561 -12.575 -12.575
  150   2HA   GLY  20          1HA       GLY  20  -4.655 -14.072 -14.072
  151    H    VAL  21           H        VAL  21  -2.262 -11.894 -11.894
  152    HA   VAL  21           HA       VAL  21  -2.198 -11.692 -11.692
  153    HB   VAL  21           HB       VAL  21  -0.176 -11.158 -11.158
  154   1HG1  VAL  21          2HG1      VAL  21   0.108 -11.108 -11.108
  155   2HG1  VAL  21          1HG1      VAL  21   1.472 -11.101 -11.101
  156   3HG1  VAL  21          3HG1      VAL  21   0.334  -9.752  -9.752
  157   1HG2  VAL  21          2HG2      VAL  21  -0.981 -13.532 -13.532
  158   2HG2  VAL  21          1HG2      VAL  21  -0.035 -13.427 -13.427
  159   3HG2  VAL  21          3HG2      VAL  21   0.755 -13.210 -13.210
  160    H    SER  22           H        SER  22  -1.304  -9.655  -9.655
  161    HA   SER  22           HA       SER  22  -2.284  -7.222  -7.222
  162   1HB   SER  22          2HB       SER  22  -2.195  -6.853  -6.853
  163   2HB   SER  22          1HB       SER  22  -3.615  -6.852  -6.852
  164    HG   SER  22           HG       SER  22  -4.071  -8.630  -8.630
  165    H    LEU  23           H        LEU  23  -0.973  -5.249  -5.249
  166    HA   LEU  23           HA       LEU  23   1.835  -5.730  -5.730
  167   1HB   LEU  23          2HB       LEU  23   0.349  -3.285  -3.285
  168   2HB   LEU  23          1HB       LEU  23   1.982  -3.313  -3.313
  169    HG   LEU  23           HG       LEU  23  -0.599  -3.793  -3.793
  170   1HD1  LEU  23          1HD1      LEU  23   0.757  -1.480  -1.480
  171   2HD1  LEU  23          3HD1      LEU  23   1.543  -2.014  -2.014
  172   3HD1  LEU  23          2HD1      LEU  23  -0.204  -1.767  -1.767
  173   1HD2  LEU  23          1HD2      LEU  23   2.136  -4.779  -4.779
  174   2HD2  LEU  23          3HD2      LEU  23   0.596  -5.337  -5.337
  175   3HD2  LEU  23          2HD2      LEU  23   1.396  -3.932  -3.932
  176    H    MET  24           H        MET  24  -0.371  -5.216  -5.216
  177    HA   MET  24           HA       MET  24   1.813  -5.169  -5.169
  178   1HB   MET  24          2HB       MET  24  -0.576  -4.154  -4.154
  179   2HB   MET  24          1HB       MET  24  -1.034  -5.743  -5.743
  180   1HG   MET  24          2HG       MET  24   1.160  -5.293  -5.293
  181   2HG   MET  24          1HG       MET  24   0.604  -3.637  -3.637
  182   1HE   MET  24          2HE       MET  24   0.142  -7.043  -7.043
  183   2HE   MET  24          1HE       MET  24  -1.145  -7.131  -7.131
  184   3HE   MET  24          3HE       MET  24  -1.541  -7.151  -7.151
  185    H    GLN  25           H        GLN  25   0.831  -7.624  -7.624
  186    HA   GLN  25           HA       GLN  25   0.871  -9.611  -9.611
  187   1HB   GLN  25          2HB       GLN  25  -0.965  -9.711  -9.711
  188   2HB   GLN  25          1HB       GLN  25   0.152  -9.702  -9.702
  189   1HG   GLN  25          2HG       GLN  25   0.784 -11.913 -11.913
  190   2HG   GLN  25          1HG       GLN  25   0.452 -11.849 -11.849
  191   1HE2  GLN  25          2HE2      GLN  25  -3.159 -11.835 -11.835
  192   2HE2  GLN  25          1HE2      GLN  25  -2.143 -10.480 -10.480
  193    H    ALA  26           H        ALA  26   2.164  -9.677  -9.677
  194    HA   ALA  26           HA       ALA  26   4.303 -11.437 -11.437
  195   1HB   ALA  26          2HB       ALA  26   3.918  -8.971  -8.971
  196   2HB   ALA  26          1HB       ALA  26   5.465  -9.862  -9.862
  197   3HB   ALA  26          3HB       ALA  26   3.937 -10.671 -10.671
  198    H    ALA  27           H        ALA  27   4.438  -7.890  -7.890
  199    HA   ALA  27           HA       ALA  27   7.053  -7.550  -7.550
  200   1HB   ALA  27          1HB       ALA  27   4.415  -6.160  -6.160
  201   2HB   ALA  27          3HB       ALA  27   5.704  -5.533  -5.533
  202   3HB   ALA  27          2HB       ALA  27   5.918  -5.609  -5.609
  203    H    VAL  28           H        VAL  28   4.018  -7.781  -7.781
  204    HA   VAL  28           HA       VAL  28   4.717  -7.764  -7.764
  205    HB   VAL  28           HB       VAL  28   2.733  -8.774  -8.774
  206   1HG1  VAL  28          1HG1      VAL  28   3.616 -10.762 -10.762
  207   2HG1  VAL  28          3HG1      VAL  28   1.919 -10.659 -10.659
  208   3HG1  VAL  28          2HG1      VAL  28   3.137 -11.055 -11.055
  209   1HG2  VAL  28          1HG2      VAL  28   2.384  -7.131  -7.131
  210   2HG2  VAL  28          3HG2      VAL  28   1.248  -8.476  -8.476
  211   3HG2  VAL  28          2HG2      VAL  28   2.632  -8.401  -8.401
  212    H    SER  29           H        SER  29   4.815 -10.731 -10.731
  213    HA   SER  29           HA       SER  29   6.190 -12.406 -12.406
  214   1HB   SER  29          2HB       SER  29   6.974 -12.912 -12.912
  215   2HB   SER  29          1HB       SER  29   5.774 -13.783 -13.783
  216    HG   SER  29           HG       SER  29   4.218 -12.657 -12.657
  217    H    ASN  30           H        ASN  30   7.357 -10.397 -10.397
  218    HA   ASN  30           HA       ASN  30  10.158 -10.874 -10.874
  219   1HB   ASN  30          2HB       ASN  30   8.288  -9.051  -9.051
  220   2HB   ASN  30          1HB       ASN  30   9.905  -8.399  -8.399
  221   1HD2  ASN  30          2HD2      ASN  30   9.286 -11.341 -11.341
  222   2HD2  ASN  30          1HD2      ASN  30   8.014 -10.696 -10.696
  223    H    GLY  31           H        GLY  31   7.952  -9.369  -9.369
  224   1HA   GLY  31          2HA       GLY  31   8.446  -8.304  -8.304
  225   2HA   GLY  31          1HA       GLY  31  10.126  -8.126  -8.126
  226    H    ILE  32           H        ILE  32   8.801  -7.074  -7.074
  227    HA   ILE  32           HA       ILE  32   9.281  -4.359  -4.359
  228    HB   ILE  32           HB       ILE  32   7.279  -5.997  -5.997
  229   1HG1  ILE  32          2HG1      ILE  32   9.980  -4.789  -4.789
  230   2HG1  ILE  32          1HG1      ILE  32   9.549  -6.499  -6.499
  231   1HG2  ILE  32          3HG2      ILE  32   8.000  -3.080  -3.080
  232   2HG2  ILE  32          2HG2      ILE  32   7.045  -4.066  -4.066
  233   3HG2  ILE  32          1HG2      ILE  32   6.417  -3.686  -3.686
  234   1HD1  ILE  32          2HD1      ILE  32   7.772  -5.655  -5.655
  235   2HD1  ILE  32          1HD1      ILE  32   9.055  -4.479  -4.479
  236   3HD1  ILE  32          3HD1      ILE  32   9.393  -6.205  -6.205
  237    H    TYR  33           H        TYR  33   6.333  -6.143  -6.143
  238    HA   TYR  33           HA       TYR  33   5.321  -3.626  -3.626
  239   1HB   TYR  33          2HB       TYR  33   3.920  -6.087  -6.087
  240   2HB   TYR  33          1HB       TYR  33   3.109  -4.886  -4.886
  241    HD1  TYR  33          1HD       TYR  33   3.126  -2.431  -2.431
  242    HD2  TYR  33          2HD       TYR  33   4.220  -5.782  -5.782
  243    HE1  TYR  33          1HE       TYR  33   2.759  -1.059  -1.059
  244    HE2  TYR  33          2HE       TYR  33   3.860  -4.455  -4.455
  245    HH   TYR  33           HH       TYR  33   2.365  -2.301  -2.301
  246    H    ASP  34           H        ASP  34   6.845  -4.311  -4.311
  247    HA   ASP  34           HA       ASP  34   6.555  -6.655  -6.655
  248   1HB   ASP  34          2HB       ASP  34   7.223  -5.205  -5.205
  249   2HB   ASP  34          1HB       ASP  34   8.143  -4.796  -4.796
  250    H    ILE  35           H        ILE  35   4.349  -4.077  -4.077
  251    HA   ILE  35           HA       ILE  35   2.495  -4.624  -4.624
  252    HB   ILE  35           HB       ILE  35   2.803  -2.405  -2.405
  253   1HG1  ILE  35          2HG1      ILE  35   0.094  -2.859  -2.859
  254   2HG1  ILE  35          1HG1      ILE  35   0.368  -3.682  -3.682
  255   1HG2  ILE  35          2HG2      ILE  35   2.965  -3.820  -3.820
  256   2HG2  ILE  35          1HG2      ILE  35   1.331  -3.166  -3.166
  257   3HG2  ILE  35          3HG2      ILE  35   2.706  -2.078  -2.078
  258   1HD1  ILE  35          2HD1      ILE  35   1.355  -1.513  -1.513
  259   2HD1  ILE  35          1HD1      ILE  35   0.772  -0.743  -0.743
  260   3HD1  ILE  35          3HD1      ILE  35  -0.374  -1.457  -1.457
  261    H    VAL  36           H        VAL  36   2.007  -6.927  -6.927
  262    HA   VAL  36           HA       VAL  36   0.470  -7.521  -7.521
  263    HB   VAL  36           HB       VAL  36   1.859  -9.495  -9.495
  264   1HG1  VAL  36          2HG1      VAL  36   0.597  -9.520  -9.520
  265   2HG1  VAL  36          1HG1      VAL  36   1.988 -10.569 -10.569
  266   3HG1  VAL  36          3HG1      VAL  36   0.543 -10.739 -10.739
  267   1HG2  VAL  36          3HG2      VAL  36   2.971  -7.647  -7.647
  268   2HG2  VAL  36          2HG2      VAL  36   3.734  -8.300  -8.300
  269   3HG2  VAL  36          1HG2      VAL  36   3.573  -9.306  -9.306
  270    H    GLY  37           H        GLY  37   0.441  -7.620  -7.620
  271   1HA   GLY  37          2HA       GLY  37  -2.015  -9.249  -9.249
  272   2HA   GLY  37          1HA       GLY  37  -1.164  -8.605  -8.605
  273    H    ASP  38           H        ASP  38  -2.060  -6.605  -6.605
  274    HA   ASP  38           HA       ASP  38  -4.052  -5.228  -5.228
  275   1HB   ASP  38          2HB       ASP  38  -1.686  -4.255  -4.255
  276   2HB   ASP  38          1HB       ASP  38  -2.616  -3.822  -3.822
  277    H    CYS  39           H        CYS  39  -3.204  -5.892  -5.892
  278    HA   CYS  39           HA       CYS  39  -6.104  -5.532  -5.532
  279   1HB   CYS  39          2HB       CYS  39  -4.977  -5.483  -5.483
  280   2HB   CYS  39          1HB       CYS  39  -5.000  -4.033  -4.033
  281    H    GLY  40           H        GLY  40  -3.290  -7.479  -7.479
  282   1HA   GLY  40          2HA       GLY  40  -3.279  -9.654  -9.654
  283   2HA   GLY  40          1HA       GLY  40  -4.310 -10.025 -10.025
  284    H    GLY  41           H        GLY  41  -4.911  -7.956  -7.956
  285   1HA   GLY  41          2HA       GLY  41  -6.487  -8.240  -8.240
  286   2HA   GLY  41          1HA       GLY  41  -6.865  -9.840  -9.840
  287    H    SER  42           H        SER  42  -6.868  -6.972  -6.972
  288    HA   SER  42           HA       SER  42  -9.840  -7.241  -7.241
  289   1HB   SER  42          2HB       SER  42  -7.713  -6.429  -6.429
  290   2HB   SER  42          1HB       SER  42  -9.441  -6.421  -6.421
  291    HG   SER  42           HG       SER  42  -8.489  -8.370  -8.370
  292    H    ALA  43           H        ALA  43  -7.134  -4.942  -4.942
  293    HA   ALA  43           HA       ALA  43  -7.095  -2.710  -2.710
  294   1HB   ALA  43          2HB       ALA  43  -8.902  -3.844  -3.844
  295   2HB   ALA  43          1HB       ALA  43 -10.035  -2.925  -2.925
  296   3HB   ALA  43          3HB       ALA  43  -8.800  -2.084  -2.084
  297    H    SER  44           H        SER  44  -7.143  -2.821  -2.821
  298    HA   SER  44           HA       SER  44  -9.168  -0.759  -0.759
  299   1HB   SER  44          2HB       SER  44  -8.231  -3.242  -3.242
  300   2HB   SER  44          1HB       SER  44  -9.140  -1.952  -1.952
  301    HG   SER  44           HG       SER  44 -10.831  -2.333  -2.333
  302    H    CYS  45           H        CYS  45  -6.023  -1.123  -1.123
  303    HA   CYS  45           HA       CYS  45  -5.100   0.318   0.318
  304   1HB   CYS  45          2HB       CYS  45  -2.881  -0.609  -0.609
  305   2HB   CYS  45          1HB       CYS  45  -3.410  -1.132  -1.132
  306    H    ALA  46           H        ALA  46  -4.677   2.424   2.424
  307    HA   ALA  46           HA       ALA  46  -4.358   3.706   3.706
  308   1HB   ALA  46          3HB       ALA  46  -5.442   4.604   4.604
  309   2HB   ALA  46          2HB       ALA  46  -3.796   4.852   4.852
  310   3HB   ALA  46          1HB       ALA  46  -4.363   5.709   5.709
  311    H    THR  47           H        THR  47  -2.305   1.872   1.872
  312    HA   THR  47           HA       THR  47   0.128   3.491   3.491
  313    HB   THR  47           HB       THR  47   1.034   1.136   1.136
  314    HG1  THR  47          1HG       THR  47  -0.994   0.315   0.315
  315   1HG2  THR  47          3HG2      THR  47   0.814   3.192   3.192
  316   2HG2  THR  47          2HG2      THR  47  -0.861   2.754   2.754
  317   3HG2  THR  47          1HG2      THR  47   0.450   1.723   1.723
  318    H    CYS  48           H        CYS  48  -1.534   1.080   1.080
  319    HA   CYS  48           HA       CYS  48   0.928   0.609   0.609
  320   1HB   CYS  48          2HB       CYS  48  -1.536  -0.761  -0.761
  321   2HB   CYS  48          1HB       CYS  48   0.038  -1.403  -1.403
  322    H    HIS  49           H        HIS  49  -0.994   3.107   3.107
  323    HA   HIS  49           HA       HIS  49  -2.388   3.412   3.412
  324   1HB   HIS  49          2HB       HIS  49  -1.987   5.087   5.087
  325   2HB   HIS  49          1HB       HIS  49  -0.402   5.394   5.394
  326    HD1  HIS  49          1HD       HIS  49  -2.544   7.650   7.650
  327    HD2  HIS  49          2HD       HIS  49  -1.963   5.199   5.199
  328    HE1  HIS  49          1HE       HIS  49  -3.482   8.895   8.895
  329    H    VAL  50           H        VAL  50  -1.723   3.406   3.406
  330    HA   VAL  50           HA       VAL  50   1.200   3.654   3.654
  331    HB   VAL  50           HB       VAL  50   0.931   1.744   1.744
  332   1HG1  VAL  50          2HG1      VAL  50   1.415   1.750   1.750
  333   2HG1  VAL  50          1HG1      VAL  50   0.157   0.523   0.523
  334   3HG1  VAL  50          3HG1      VAL  50   1.656   0.371   0.371
  335   1HG2  VAL  50          2HG2      VAL  50  -1.636   2.078   2.078
  336   2HG2  VAL  50          1HG2      VAL  50  -1.018   0.427   0.427
  337   3HG2  VAL  50          3HG2      VAL  50  -1.600   1.113   1.113
  338    H    TYR  51           H        TYR  51   1.663   4.256   4.256
  339    HA   TYR  51           HA       TYR  51  -0.592   5.585   5.585
  340   1HB   TYR  51          2HB       TYR  51   2.190   6.310   6.310
  341   2HB   TYR  51          1HB       TYR  51   1.587   6.961   6.961
  342    HD1  TYR  51          2HD       TYR  51  -1.156   6.382   6.382
  343    HD2  TYR  51          1HD       TYR  51   2.074   9.146   9.146
  344    HE1  TYR  51          2HE       TYR  51  -2.427   8.165   8.165
  345    HE2  TYR  51          1HE       TYR  51   0.775  10.944  10.944
  346    HH   TYR  51           HH       TYR  51  -2.452  10.282  10.282
  347    H    VAL  52           H        VAL  52  -0.993   4.489   4.489
  348    HA   VAL  52           HA       VAL  52   1.175   2.894   2.894
  349    HB   VAL  52           HB       VAL  52  -1.764   3.160   3.160
  350   1HG1  VAL  52          3HG1      VAL  52  -0.190   2.174   2.174
  351   2HG1  VAL  52          2HG1      VAL  52   0.180   0.895   0.895
  352   3HG1  VAL  52          1HG1      VAL  52  -1.464   1.076   1.076
  353   1HG2  VAL  52          3HG2      VAL  52  -0.604   2.079   2.079
  354   2HG2  VAL  52          2HG2      VAL  52  -2.263   1.870   1.870
  355   3HG2  VAL  52          1HG2      VAL  52  -1.024   0.699   0.699
  356    H    ASN  53           H        ASN  53   1.366   3.159   3.159
  357    HA   ASN  53           HA       ASN  53   1.510   6.042   6.042
  358   1HB   ASN  53          2HB       ASN  53   2.567   5.111   5.111
  359   2HB   ASN  53          1HB       ASN  53   3.292   4.403   4.403
  360   1HD2  ASN  53          2HD2      ASN  53   2.078   1.178   1.178
  361   2HD2  ASN  53          1HD2      ASN  53   2.943   2.165   2.165
  362    H    GLU  54           H        GLU  54   0.029   7.075   7.075
  363    HA   GLU  54           HA       GLU  54  -2.576   6.331   6.331
  364   1HB   GLU  54          2HB       GLU  54  -2.578   7.987   7.987
  365   2HB   GLU  54          1HB       GLU  54  -1.358   8.482   8.482
  366   1HG   GLU  54          2HG       GLU  54   0.245   7.042   7.042
  367   2HG   GLU  54          1HG       GLU  54  -0.992   7.357   7.357
  368    H    ALA  55           H        ALA  55   0.169   4.912   4.912
  369    HA   ALA  55           HA       ALA  55  -1.339   3.936   3.936
  370   1HB   ALA  55          2HB       ALA  55   1.363   3.883   3.883
  371   2HB   ALA  55          1HB       ALA  55   0.930   2.357   2.357
  372   3HB   ALA  55          3HB       ALA  55   0.845   3.865   3.865
  373    H    PHE  56           H        PHE  56  -0.052   2.270   2.270
  374    HA   PHE  56           HA       PHE  56  -1.516  -0.181  -0.181
  375   1HB   PHE  56          2HB       PHE  56   0.319   0.747   0.747
  376   2HB   PHE  56          1HB       PHE  56  -0.429  -0.846  -0.846
  377    HD1  PHE  56          1HD       PHE  56   1.795   1.383   1.383
  378    HD2  PHE  56          2HD       PHE  56   0.386  -2.678  -2.678
  379    HE1  PHE  56          1HE       PHE  56   3.496   0.594   0.594
  380    HE2  PHE  56          2HE       PHE  56   2.065  -3.403  -3.403
  381    HZ   PHE  56           HZ       PHE  56   3.638  -1.801  -1.801
  382    H    THR  57           H        THR  57  -2.398   2.698   2.698
  383    HA   THR  57           HA       THR  57  -4.092   1.532   1.532
  384    HB   THR  57           HB       THR  57  -4.646   3.804   3.804
  385    HG1  THR  57          1HG       THR  57  -3.599   4.759   4.759
  386   1HG2  THR  57          1HG2      THR  57  -1.915   3.139   3.139
  387   2HG2  THR  57          3HG2      THR  57  -2.215   4.840   4.840
  388   3HG2  THR  57          2HG2      THR  57  -2.533   4.211   4.211
  389    H    ASP  58           H        ASP  58  -4.754   3.322   3.322
  390    HA   ASP  58           HA       ASP  58  -7.571   2.905   2.905
  391   1HB   ASP  58          2HB       ASP  58  -7.353   3.739   3.739
  392   2HB   ASP  58          1HB       ASP  58  -6.048   4.491   4.491
  393    H    LYS  59           H        LYS  59  -5.034   0.678   0.678
  394    HA   LYS  59           HA       LYS  59  -6.326  -1.149  -1.149
  395   1HB   LYS  59          2HB       LYS  59  -4.256  -1.803  -1.803
  396   2HB   LYS  59          1HB       LYS  59  -4.401  -2.468  -2.468
  397   1HG   LYS  59          2HG       LYS  59  -4.044   0.091   0.091
  398   2HG   LYS  59          1HG       LYS  59  -3.229   0.135   0.135
  399   1HD   LYS  59          2HD       LYS  59  -1.500  -0.463  -0.463
  400   2HD   LYS  59          1HD       LYS  59  -2.019  -2.018  -2.018
  401   1HE   LYS  59          2HE       LYS  59  -3.524  -2.302  -2.302
  402   2HE   LYS  59          1HE       LYS  59  -2.830  -0.817  -0.817
  403   1HZ   LYS  59          2HZ       LYS  59  -0.602  -1.849  -1.849
  404   2HZ   LYS  59          1HZ       LYS  59  -1.395  -3.311  -3.311
  405   3HZ   LYS  59          3HZ       LYS  59  -1.534  -2.619  -2.619
  406    H    VAL  60           H        VAL  60  -5.438  -1.207  -1.207
  407    HA   VAL  60           HA       VAL  60  -6.913  -3.557  -3.557
  408    HB   VAL  60           HB       VAL  60  -4.702  -2.192  -2.192
  409   1HG1  VAL  60          3HG1      VAL  60  -6.738  -1.332  -1.332
  410   2HG1  VAL  60          2HG1      VAL  60  -4.991  -1.134  -1.134
  411   3HG1  VAL  60          1HG1      VAL  60  -5.865  -0.302  -0.302
  412   1HG2  VAL  60          3HG2      VAL  60  -5.914  -4.466  -4.466
  413   2HG2  VAL  60          2HG2      VAL  60  -4.350  -3.888  -3.888
  414   3HG2  VAL  60          1HG2      VAL  60  -5.800  -3.565  -3.565
  415    HA   PRO  61           HA       PRO  61 -10.802  -1.811  -1.811
  416   1HB   PRO  61          2HB       PRO  61 -11.383  -3.238  -3.238
  417   2HB   PRO  61          1HB       PRO  61 -11.498  -3.906  -3.906
  418   1HG   PRO  61          2HG       PRO  61  -9.291  -4.172  -4.172
  419   2HG   PRO  61          1HG       PRO  61 -10.014  -5.411  -5.411
  420   1HD   PRO  61          2HD       PRO  61  -7.668  -4.269  -4.269
  421   2HD   PRO  61          1HD       PRO  61  -8.852  -4.699  -4.699
  422    H    ALA  62           H        ALA  62 -11.945  -0.739  -0.739
  423    HA   ALA  62           HA       ALA  62 -10.221   1.194   1.194
  424   1HB   ALA  62          1HB       ALA  62 -12.760   0.996   0.996
  425   2HB   ALA  62          3HB       ALA  62 -13.075   1.141   1.141
  426   3HB   ALA  62          2HB       ALA  62 -12.138   2.385   2.385
  427    H    ALA  63           H        ALA  63 -11.386   1.735   1.735
  428    HA   ALA  63           HA       ALA  63 -10.914  -0.733  -0.733
  429   1HB   ALA  63          1HB       ALA  63 -10.511   2.228   2.228
  430   2HB   ALA  63          3HB       ALA  63 -10.443   1.068   1.068
  431   3HB   ALA  63          2HB       ALA  63  -9.292   0.949   0.949
  432    H    ASN  64           H        ASN  64 -12.237  -1.014  -1.014
  433    HA   ASN  64           HA       ASN  64 -15.047  -0.310  -0.310
  434   1HB   ASN  64          2HB       ASN  64 -15.193  -1.593  -1.593
  435   2HB   ASN  64          1HB       ASN  64 -14.675  -2.479  -2.479
  436   1HD2  ASN  64          2HD2      ASN  64 -11.398  -1.375  -1.375
  437   2HD2  ASN  64          1HD2      ASN  64 -12.417  -0.201  -0.201
  438    H    GLU  65           H        GLU  65 -15.929   0.014   0.014
  439    HA   GLU  65           HA       GLU  65 -15.411   2.861   2.861
  440   1HB   GLU  65          2HB       GLU  65 -17.288   2.675   2.675
  441   2HB   GLU  65          1HB       GLU  65 -17.578   1.449   1.449
  442   1HG   GLU  65          2HG       GLU  65 -16.667  -0.287  -0.287
  443   2HG   GLU  65          1HG       GLU  65 -16.331   0.928   0.928
  444    H    ARG  66           H        ARG  66 -14.204  -0.133  -0.133
  445    HA   ARG  66           HA       ARG  66 -13.410   1.067   1.067
  446   1HB   ARG  66          2HB       ARG  66 -11.581  -1.017  -1.017
  447   2HB   ARG  66          1HB       ARG  66 -12.946  -1.100  -1.100
  448   1HG   ARG  66          2HG       ARG  66 -14.396  -1.677  -1.677
  449   2HG   ARG  66          1HG       ARG  66 -12.935  -1.708  -1.708
  450   1HD   ARG  66          2HD       ARG  66 -11.980  -3.435  -3.435
  451   2HD   ARG  66          1HD       ARG  66 -13.564  -3.505  -3.505
  452    HE   ARG  66           HE       ARG  66 -14.289  -3.821  -3.821
  453   1HH1  ARG  66          1HH2      ARG  66 -11.243  -4.659  -4.659
  454   2HH1  ARG  66          2HH2      ARG  66 -11.432  -6.381  -6.381
  455   1HH2  ARG  66          1HH1      ARG  66 -14.774  -6.293  -6.293
  456   2HH2  ARG  66          2HH1      ARG  66 -13.431  -7.306  -7.306
  457    H    GLU  67           H        GLU  67 -11.785   0.497   0.497
  458    HA   GLU  67           HA       GLU  67  -9.190   1.436   1.436
  459   1HB   GLU  67          2HB       GLU  67  -9.549   0.295   0.295
  460   2HB   GLU  67          1HB       GLU  67 -10.954   1.268   1.268
  461   1HG   GLU  67          2HG       GLU  67  -8.376   2.709   2.709
  462   2HG   GLU  67          1HG       GLU  67  -8.535   1.666   1.666
  463    H    ILE  68           H        ILE  68 -12.104   3.199   3.199
  464    HA   ILE  68           HA       ILE  68 -10.847   5.717   5.717
  465    HB   ILE  68           HB       ILE  68 -13.472   4.498   4.498
  466   1HG1  ILE  68          2HG1      ILE  68 -14.033   5.929   5.929
  467   2HG1  ILE  68          1HG1      ILE  68 -12.708   7.031   7.031
  468   1HG2  ILE  68          2HG2      ILE  68 -13.480   6.162   6.162
  469   2HG2  ILE  68          1HG2      ILE  68 -13.370   7.430   7.430
  470   3HG2  ILE  68          3HG2      ILE  68 -14.762   6.346   6.346
  471   1HD1  ILE  68          3HD1      ILE  68 -11.605   4.410   4.410
  472   2HD1  ILE  68          2HD1      ILE  68 -12.657   4.721   4.721
  473   3HD1  ILE  68          1HD1      ILE  68 -11.336   5.829   5.829
  474    H    GLY  69           H        GLY  69 -11.323   3.931   3.931
  475   1HA   GLY  69          2HA       GLY  69 -11.177   6.320   6.320
  476   2HA   GLY  69          1HA       GLY  69 -11.355   4.664   4.664
  477    H    MET  70           H        MET  70  -9.374   3.272   3.272
  478    HA   MET  70           HA       MET  70  -7.125   4.397   4.397
  479   1HB   MET  70          2HB       MET  70  -6.067   2.382   2.382
  480   2HB   MET  70          1HB       MET  70  -6.551   2.203   2.203
  481   1HG   MET  70          2HG       MET  70  -7.618   0.522   0.522
  482   2HG   MET  70          1HG       MET  70  -8.842   1.616   1.616
  483   1HE   MET  70          3HE       MET  70  -7.647  -0.339  -0.339
  484   2HE   MET  70          2HE       MET  70  -9.044  -0.244  -0.244
  485   3HE   MET  70          1HE       MET  70  -7.469   0.357   0.357
  486    H    LEU  71           H        LEU  71  -7.835   4.205   4.205
  487    HA   LEU  71           HA       LEU  71  -5.271   5.058   5.058
  488   1HB   LEU  71          2HB       LEU  71  -7.283   3.924   3.924
  489   2HB   LEU  71          1HB       LEU  71  -8.015   5.535   5.535
  490    HG   LEU  71           HG       LEU  71  -5.678   4.461   4.461
  491   1HD1  LEU  71          1HD1      LEU  71  -8.302   5.595   5.595
  492   2HD1  LEU  71          3HD1      LEU  71  -7.069   6.507   6.507
  493   3HD1  LEU  71          2HD1      LEU  71  -7.228   4.768   4.768
  494   1HD2  LEU  71          1HD2      LEU  71  -6.053   7.377   7.377
  495   2HD2  LEU  71          3HD2      LEU  71  -4.673   6.359   6.359
  496   3HD2  LEU  71          2HD2      LEU  71  -4.970   6.800   6.800
  497    H    GLU  72           H        GLU  72  -8.101   6.707   6.707
  498    HA   GLU  72           HA       GLU  72  -7.049   9.389   9.389
  499   1HB   GLU  72          2HB       GLU  72  -9.326   9.525   9.525
  500   2HB   GLU  72          1HB       GLU  72  -9.567   8.106   8.106
  501   1HG   GLU  72          2HG       GLU  72  -9.709   9.329   9.329
  502   2HG   GLU  72          1HG       GLU  72  -8.600  10.582  10.582
  503    H    CYS  73           H        CYS  73  -7.316   7.189   7.189
  504    HA   CYS  73           HA       CYS  73  -6.976   8.889   8.889
  505   1HB   CYS  73          2HB       CYS  73  -6.455   6.124   6.124
  506   2HB   CYS  73          1HB       CYS  73  -5.241   6.708   6.708
  507    HG   CYS  73           HG       CYS  73  -8.309   6.645   6.645
  508    H    VAL  74           H        VAL  74  -4.419   7.541   7.541
  509    HA   VAL  74           HA       VAL  74  -2.419   9.365   9.365
  510    HB   VAL  74           HB       VAL  74  -0.929   8.105   8.105
  511   1HG1  VAL  74          1HG1      VAL  74  -1.490   7.398   7.398
  512   2HG1  VAL  74          3HG1      VAL  74  -2.584   6.223   6.223
  513   3HG1  VAL  74          2HG1      VAL  74  -0.858   6.149   6.149
  514   1HG2  VAL  74          1HG2      VAL  74  -3.324   7.548   7.548
  515   2HG2  VAL  74          3HG2      VAL  74  -1.803   6.711   6.711
  516   3HG2  VAL  74          2HG2      VAL  74  -2.971   6.037   6.037
  517    H    THR  75           H        THR  75  -3.706  11.282  11.282
  518    HA   THR  75           HA       THR  75  -4.295  11.911  11.911
  519    HB   THR  75           HB       THR  75  -4.664  13.271  13.271
  520    HG1  THR  75          1HG       THR  75  -3.475  14.384  14.384
  521   1HG2  THR  75          3HG2      THR  75  -2.064  12.921  12.921
  522   2HG2  THR  75          2HG2      THR  75  -1.941  14.460  14.460
  523   3HG2  THR  75          1HG2      THR  75  -2.942  14.330  14.330
  524    H    ALA  76           H        ALA  76  -2.650  10.870  10.870
  525    HA   ALA  76           HA       ALA  76   0.029  12.185  12.185
  526   1HB   ALA  76          2HB       ALA  76  -0.106   9.717   9.717
  527   2HB   ALA  76          1HB       ALA  76  -0.984   9.681   9.681
  528   3HB   ALA  76          3HB       ALA  76   0.692  10.224  10.224
  529    H    GLU  77           H        GLU  77  -2.214  13.643  13.643
  530    HA   GLU  77           HA       GLU  77  -2.759  14.952  14.952
  531   1HB   GLU  77          2HB       GLU  77  -0.921  15.543  15.543
  532   2HB   GLU  77          1HB       GLU  77  -0.061  14.563  14.563
  533   1HG   GLU  77          2HG       GLU  77  -0.806  12.651  12.651
  534   2HG   GLU  77          1HG       GLU  77  -0.587  14.049  14.049
  535    H    LEU  78           H        LEU  78  -4.035  12.594  12.594
  536    HA   LEU  78           HA       LEU  78  -4.491  10.514  10.514
  537   1HB   LEU  78          2HB       LEU  78  -6.062  12.433  12.433
  538   2HB   LEU  78          1HB       LEU  78  -6.796  12.236  12.236
  539    HG   LEU  78           HG       LEU  78  -6.761   9.762   9.762
  540   1HD1  LEU  78          3HD1      LEU  78  -5.215  10.582  10.582
  541   2HD1  LEU  78          2HD1      LEU  78  -6.545   9.507   9.507
  542   3HD1  LEU  78          1HD1      LEU  78  -5.345   8.993   8.993
  543   1HD2  LEU  78          1HD2      LEU  78  -8.281  11.660  11.660
  544   2HD2  LEU  78          3HD2      LEU  78  -8.866  10.483  10.483
  545   3HD2  LEU  78          2HD2      LEU  78  -8.382   9.953   9.953
  546    H    LYS  79           H        LYS  79  -4.599   9.864   9.864
  547    HA   LYS  79           HA       LYS  79  -4.652  11.940  11.940
  548   1HB   LYS  79          2HB       LYS  79  -3.562   9.147   9.147
  549   2HB   LYS  79          1HB       LYS  79  -3.078  10.611  10.611
  550   1HG   LYS  79          2HG       LYS  79  -2.653  10.337  10.337
  551   2HG   LYS  79          1HG       LYS  79  -1.485   9.695   9.695
  552   1HD   LYS  79          2HD       LYS  79  -2.482  12.453  12.453
  553   2HD   LYS  79          1HD       LYS  79  -1.373  12.192  12.192
  554   1HE   LYS  79          2HE       LYS  79  -0.704  12.569  12.569
  555   2HE   LYS  79          1HE       LYS  79   0.389  12.083  12.083
  556   1HZ   LYS  79          3HZ       LYS  79  -1.310  10.133  10.133
  557   2HZ   LYS  79          2HZ       LYS  79   0.240  10.548  10.548
  558   3HZ   LYS  79          1HZ       LYS  79   0.039   9.825   9.825
  559    HA   PRO  80           HA       PRO  80  -8.128   9.827   9.827
  560   1HB   PRO  80          2HB       PRO  80  -7.451   9.492   9.492
  561   2HB   PRO  80          1HB       PRO  80  -7.929  11.063  11.063
  562   1HG   PRO  80          2HG       PRO  80  -5.214   9.993   9.993
  563   2HG   PRO  80          1HG       PRO  80  -5.855  11.628  11.628
  564   1HD   PRO  80          2HD       PRO  80  -4.251  10.947  10.947
  565   2HD   PRO  80          1HD       PRO  80  -5.490  12.214  12.214
  566    H    ASN  81           H        ASN  81  -4.938   8.519   8.519
  567    HA   ASN  81           HA       ASN  81  -6.038   5.781   5.781
  568   1HB   ASN  81          2HB       ASN  81  -3.660   5.343   5.343
  569   2HB   ASN  81          1HB       ASN  81  -4.453   6.585   6.585
  570   1HD2  ASN  81          2HD2      ASN  81  -1.093   7.853   7.853
  571   2HD2  ASN  81          1HD2      ASN  81  -1.604   6.494   6.494
  572    H    SER  82           H        SER  82  -4.713   7.727   7.727
  573    HA   SER  82           HA       SER  82  -3.007   6.065   6.065
  574   1HB   SER  82          2HB       SER  82  -5.392   7.631   7.631
  575   2HB   SER  82          1HB       SER  82  -3.972   7.179   7.179
  576    HG   SER  82           HG       SER  82  -2.938   8.283   8.283
  577    H    ARG  83           H        ARG  83  -3.392   4.536   4.536
  578    HA   ARG  83           HA       ARG  83  -5.961   3.372   3.372
  579   1HB   ARG  83          2HB       ARG  83  -4.684   2.620   2.620
  580   2HB   ARG  83          1HB       ARG  83  -4.616   1.233   1.233
  581   1HG   ARG  83          2HG       ARG  83  -6.787   0.819   0.819
  582   2HG   ARG  83          1HG       ARG  83  -7.200   2.402   2.402
  583   1HD   ARG  83          2HD       ARG  83  -7.982   2.782   2.782
  584   2HD   ARG  83          1HD       ARG  83  -6.272   3.100   3.100
  585    HE   ARG  83           HE       ARG  83  -6.584   0.310   0.310
  586   1HH1  ARG  83          1HH2      ARG  83  -8.672   2.645   2.645
  587   2HH1  ARG  83          2HH2      ARG  83  -8.571   2.080   2.080
  588   1HH2  ARG  83          1HH1      ARG  83  -6.074  -0.228  -0.228
  589   2HH2  ARG  83          2HH1      ARG  83  -7.100   0.454   0.454
  590    H    LEU  84           H        LEU  84  -5.692   1.454   1.454
  591    HA   LEU  84           HA       LEU  84  -3.266   1.646   1.646
  592   1HB   LEU  84          2HB       LEU  84  -5.987   0.802   0.802
  593   2HB   LEU  84          1HB       LEU  84  -4.981  -0.612  -0.612
  594    HG   LEU  84           HG       LEU  84  -4.929   2.005   2.005
  595   1HD1  LEU  84          3HD1      LEU  84  -6.045  -0.613  -0.613
  596   2HD1  LEU  84          2HD1      LEU  84  -4.810  -0.368  -0.368
  597   3HD1  LEU  84          1HD1      LEU  84  -6.157   0.772   0.772
  598   1HD2  LEU  84          2HD2      LEU  84  -2.667   0.557   0.557
  599   2HD2  LEU  84          1HD2      LEU  84  -2.804   1.602   1.602
  600   3HD2  LEU  84          3HD2      LEU  84  -3.111  -0.132  -0.132
  601    H    SER  85           H        SER  85  -1.563   0.164   0.164
  602    HA   SER  85           HA       SER  85  -0.690  -1.391  -1.391
  603   1HB   SER  85          2HB       SER  85  -0.673  -2.249  -2.249
  604   2HB   SER  85          1HB       SER  85   0.489  -2.705  -2.705
  605    HG   SER  85           HG       SER  85   1.255  -0.671  -0.671
  606    H    CYS  86           H        CYS  86  -3.168  -2.100  -2.100
  607    HA   CYS  86           HA       CYS  86  -3.664  -4.856  -4.856
  608   1HB   CYS  86          2HB       CYS  86  -5.564  -4.440  -4.440
  609   2HB   CYS  86          1HB       CYS  86  -3.896  -4.809  -4.809
  610    H    GLN  87           H        GLN  87  -4.319  -2.748  -2.748
  611    HA   GLN  87           HA       GLN  87  -7.249  -3.218  -3.218
  612   1HB   GLN  87          2HB       GLN  87  -5.644  -0.741  -0.741
  613   2HB   GLN  87          1HB       GLN  87  -7.073  -0.887  -0.887
  614   1HG   GLN  87          2HG       GLN  87  -6.945  -0.985  -0.985
  615   2HG   GLN  87          1HG       GLN  87  -7.808   0.176   0.176
  616   1HE2  GLN  87          2HE2      GLN  87  -9.478  -3.469  -3.469
  617   2HE2  GLN  87          1HE2      GLN  87  -7.868  -3.146  -3.146
  618    H    ILE  88           H        ILE  88  -4.410  -2.632  -2.632
  619    HA   ILE  88           HA       ILE  88  -5.989  -3.405  -3.405
  620    HB   ILE  88           HB       ILE  88  -3.053  -2.921  -2.921
  621   1HG1  ILE  88          2HG1      ILE  88  -5.162  -0.878  -0.878
  622   2HG1  ILE  88          1HG1      ILE  88  -3.595  -1.142  -1.142
  623   1HG2  ILE  88          1HG2      ILE  88  -4.425  -3.411  -3.411
  624   2HG2  ILE  88          3HG2      ILE  88  -5.365  -1.954  -1.954
  625   3HG2  ILE  88          2HG2      ILE  88  -3.651  -1.830  -1.830
  626   1HD1  ILE  88          3HD1      ILE  88  -3.960  -0.136  -0.136
  627   2HD1  ILE  88          2HD1      ILE  88  -3.657   0.903   0.903
  628   3HD1  ILE  88          1HD1      ILE  88  -2.438  -0.266  -0.266
  629    H    ILE  89           H        ILE  89  -5.474  -5.130  -5.130
  630    HA   ILE  89           HA       ILE  89  -3.931  -7.348  -7.348
  631    HB   ILE  89           HB       ILE  89  -6.336  -7.179  -7.179
  632   1HG1  ILE  89          2HG1      ILE  89  -6.928  -7.085  -7.085
  633   2HG1  ILE  89          1HG1      ILE  89  -7.232  -8.747  -8.747
  634   1HG2  ILE  89          1HG2      ILE  89  -4.734  -8.890  -8.890
  635   2HG2  ILE  89          3HG2      ILE  89  -4.792  -9.681  -9.681
  636   3HG2  ILE  89          2HG2      ILE  89  -6.244  -9.594  -9.594
  637   1HD1  ILE  89          1HD1      ILE  89  -4.864  -9.273  -9.273
  638   2HD1  ILE  89          3HD1      ILE  89  -4.891  -7.686  -7.686
  639   3HD1  ILE  89          2HD1      ILE  89  -6.059  -8.918  -8.918
  640    H    MET  90           H        MET  90  -2.777  -8.754  -8.754
  641    HA   MET  90           HA       MET  90  -1.772  -7.067  -7.067
  642   1HB   MET  90          2HB       MET  90  -0.447  -8.207  -8.207
  643   2HB   MET  90          1HB       MET  90  -0.306  -9.483  -9.483
  644   1HG   MET  90          2HG       MET  90   1.586  -7.898  -7.898
  645   2HG   MET  90          1HG       MET  90   0.619  -7.880  -7.880
  646   1HE   MET  90          2HE       MET  90   0.909  -6.064  -6.064
  647   2HE   MET  90          1HE       MET  90  -0.798  -5.677  -5.677
  648   3HE   MET  90          3HE       MET  90   0.426  -4.415  -4.415
  649    H    THR  91           H        THR  91  -2.862  -7.660  -7.660
  650    HA   THR  91           HA       THR  91  -3.665 -10.471 -10.471
  651    HB   THR  91           HB       THR  91  -4.331  -9.150  -9.150
  652    HG1  THR  91          1HG       THR  91  -4.940  -6.988  -6.988
  653   1HG2  THR  91          2HG2      THR  91  -5.706  -8.877  -8.877
  654   2HG2  THR  91          1HG2      THR  91  -6.470  -8.574  -8.574
  655   3HG2  THR  91          3HG2      THR  91  -5.918 -10.198 -10.198
  656    HA   PRO  92           HA       PRO  92  -0.185 -11.496 -11.496
  657   1HB   PRO  92          2HB       PRO  92  -1.309 -13.136 -13.136
  658   2HB   PRO  92          1HB       PRO  92  -1.059 -13.622 -13.622
  659   1HG   PRO  92          2HG       PRO  92  -3.542 -12.715 -12.715
  660   2HG   PRO  92          1HG       PRO  92  -3.322 -13.948 -13.948
  661   1HD   PRO  92          2HD       PRO  92  -4.269 -11.427 -11.427
  662   2HD   PRO  92          1HD       PRO  92  -3.435 -12.429 -12.429
  663    H    GLU  93           H        GLU  93  -2.610  -9.499  -9.499
  664    HA   GLU  93           HA       GLU  93  -1.303  -9.148  -9.148
  665   1HB   GLU  93          2HB       GLU  93  -3.507  -7.890  -7.890
  666   2HB   GLU  93          1HB       GLU  93  -3.634  -9.634  -9.634
  667   1HG   GLU  93          2HG       GLU  93  -4.770  -9.423  -9.423
  668   2HG   GLU  93          1HG       GLU  93  -3.769  -8.077  -8.077
  669    H    LEU  94           H        LEU  94  -2.118  -7.583  -7.583
  670    HA   LEU  94           HA       LEU  94  -1.170  -4.935  -4.935
  671   1HB   LEU  94          2HB       LEU  94  -2.246  -5.730  -5.730
  672   2HB   LEU  94          1HB       LEU  94  -2.209  -4.123  -4.123
  673    HG   LEU  94           HG       LEU  94  -3.926  -6.480  -6.480
  674   1HD1  LEU  94          3HD1      LEU  94  -4.347  -3.656  -3.656
  675   2HD1  LEU  94          2HD1      LEU  94  -5.623  -4.512  -4.512
  676   3HD1  LEU  94          1HD1      LEU  94  -5.012  -5.147  -5.147
  677   1HD2  LEU  94          2HD2      LEU  94  -2.788  -5.423  -5.423
  678   2HD2  LEU  94          1HD2      LEU  94  -4.553  -5.332  -5.332
  679   3HD2  LEU  94          3HD2      LEU  94  -3.600  -3.915  -3.915
  680    H    ASP  95           H        ASP  95   0.956  -6.443  -6.443
  681    HA   ASP  95           HA       ASP  95   2.263  -6.413  -6.413
  682   1HB   ASP  95          2HB       ASP  95   3.947  -7.806  -7.806
  683   2HB   ASP  95          1HB       ASP  95   2.339  -8.496  -8.496
  684    H    GLY  96           H        GLY  96   4.154  -5.325  -5.325
  685   1HA   GLY  96          2HA       GLY  96   6.112  -4.005  -4.005
  686   2HA   GLY  96          1HA       GLY  96   5.207  -3.525  -3.525
  687    H    ILE  97           H        ILE  97   3.525  -3.714  -3.714
  688    HA   ILE  97           HA       ILE  97   2.732  -0.965  -0.965
  689    HB   ILE  97           HB       ILE  97   1.207  -2.686  -2.686
  690   1HG1  ILE  97          2HG1      ILE  97   1.135  -0.321  -0.321
  691   2HG1  ILE  97          1HG1      ILE  97   0.203  -1.589  -1.589
  692   1HG2  ILE  97          1HG2      ILE  97   3.437  -3.318  -3.318
  693   2HG2  ILE  97          3HG2      ILE  97   1.818  -3.499  -3.499
  694   3HG2  ILE  97          2HG2      ILE  97   2.275  -4.388  -4.388
  695   1HD1  ILE  97          3HD1      ILE  97   2.478  -1.890  -1.890
  696   2HD1  ILE  97          2HD1      ILE  97   2.688  -0.206  -0.206
  697   3HD1  ILE  97          1HD1      ILE  97   1.273  -0.693  -0.693
  698    H    VAL  98           H        VAL  98   3.890   0.679   0.679
  699    HA   VAL  98           HA       VAL  98   6.000   0.584   0.584
  700    HB   VAL  98           HB       VAL  98   4.611   2.966   2.966
  701   1HG1  VAL  98          1HG1      VAL  98   7.394   2.443   2.443
  702   2HG1  VAL  98          3HG1      VAL  98   6.992   3.860   3.860
  703   3HG1  VAL  98          2HG1      VAL  98   6.208   3.608   3.608
  704   1HG2  VAL  98          3HG2      VAL  98   6.652   1.032   1.032
  705   2HG2  VAL  98          2HG2      VAL  98   5.119   1.538   1.538
  706   3HG2  VAL  98          1HG2      VAL  98   6.469   2.670   2.670
  707    H    VAL  99           H        VAL  99   5.549   0.775   0.775
  708    HA   VAL  99           HA       VAL  99   2.904   1.945   1.945
  709    HB   VAL  99           HB       VAL  99   4.837   0.691   0.691
  710   1HG1  VAL  99          3HG1      VAL  99   1.931   1.165   1.165
  711   2HG1  VAL  99          2HG1      VAL  99   2.390  -0.378  -0.378
  712   3HG1  VAL  99          1HG1      VAL  99   2.978   1.140   1.140
  713   1HG2  VAL  99          3HG2      VAL  99   3.764  -0.619  -0.619
  714   2HG2  VAL  99          2HG2      VAL  99   5.006  -1.145  -1.145
  715   3HG2  VAL  99          1HG2      VAL  99   3.304  -1.420  -1.420
  716    H    ASP 100           H        ASP 100   3.261   2.881   2.881
  717    HA   ASP 100           HA       ASP 100   5.771   4.258   4.258
  718   1HB   ASP 100          2HB       ASP 100   3.331   5.710   5.710
  719   2HB   ASP 100          1HB       ASP 100   4.564   6.550   6.550
  720    H    VAL 101           H        VAL 101   5.957   4.923   4.923
  721    HA   VAL 101           HA       VAL 101   3.583   4.298   4.298
  722    HB   VAL 101           HB       VAL 101   6.545   4.638   4.638
  723   1HG1  VAL 101          3HG1      VAL 101   4.880   5.556   5.556
  724   2HG1  VAL 101          2HG1      VAL 101   4.543   3.850   3.850
  725   3HG1  VAL 101          1HG1      VAL 101   6.180   4.476   4.476
  726   1HG2  VAL 101          3HG2      VAL 101   5.487   2.480   2.480
  727   2HG2  VAL 101          2HG2      VAL 101   6.503   2.301   2.301
  728   3HG2  VAL 101          1HG2      VAL 101   4.744   2.274   2.274
  729    HA   PRO 102           HA       PRO 102   3.050   8.782   8.782
  730   1HB   PRO 102          2HB       PRO 102   0.554   8.726   8.726
  731   2HB   PRO 102          1HB       PRO 102   0.879   8.362   8.362
  732   1HG   PRO 102          2HG       PRO 102   0.455   6.493   6.493
  733   2HG   PRO 102          1HG       PRO 102  -0.178   6.414   6.414
  734   1HD   PRO 102          2HD       PRO 102   1.920   4.934   4.934
  735   2HD   PRO 102          1HD       PRO 102   1.791   5.583   5.583
  736    H    ASP 103           H        ASP 103   4.717   8.910   8.910
  737    HA   ASP 103           HA       ASP 103   3.307   9.261   9.261
  738   1HB   ASP 103          2HB       ASP 103   5.180   7.579   7.579
  739   2HB   ASP 103          1HB       ASP 103   6.266   8.927   8.927
  740    H    ARG 104           H        ARG 104   3.232  11.300  11.300
  741    HA   ARG 104           HA       ARG 104   5.179  13.266  13.266
  742   1HB   ARG 104          2HB       ARG 104   3.236  14.855  14.855
  743   2HB   ARG 104          1HB       ARG 104   3.340  13.464  13.464
  744   1HG   ARG 104          2HG       ARG 104   1.056  13.575  13.575
  745   2HG   ARG 104          1HG       ARG 104   1.731  12.283  12.283
  746   1HD   ARG 104          2HD       ARG 104   1.834  15.033  15.033
  747   2HD   ARG 104          1HD       ARG 104   0.246  14.244  14.244
  748    HE   ARG 104           HE       ARG 104   2.388  12.496  12.496
  749   1HH1  ARG 104          1HH2      ARG 104   0.231  15.020  15.020
  750   2HH1  ARG 104          2HH2      ARG 104  -0.054  14.387  14.387
  751   1HH2  ARG 104          1HH1      ARG 104   1.900  11.566  11.566
  752   2HH2  ARG 104          2HH1      ARG 104   0.889  12.433  12.433
  753    H    GLN 105           H        GLN 105   4.666  15.579  15.579
  754    HA   GLN 105           HA       GLN 105   4.367  15.069  15.069
  755   1HB   GLN 105          2HB       GLN 105   6.533  16.006  16.006
  756   2HB   GLN 105          1HB       GLN 105   5.898  17.426  17.426
  757   1HG   GLN 105          2HG       GLN 105   6.993  16.738  16.738
  758   2HG   GLN 105          1HG       GLN 105   5.865  15.383  15.383
  759   1HE2  GLN 105          2HE2      GLN 105   8.763  13.343  13.343
  760   2HE2  GLN 105          1HE2      GLN 105   7.531  13.891  13.891
  761    H    TRP 106           H        TRP 106   1.995  15.609  15.609
  762    HA   TRP 106           HA       TRP 106   1.596  18.551  18.551
  763   1HB   TRP 106          2HB       TRP 106   1.387  17.305  17.305
  764   2HB   TRP 106          1HB       TRP 106  -0.248  17.045  17.045
  765    HD1  TRP 106           HD       TRP 106  -1.817  19.124  19.124
  766    HE1  TRP 106          1HE       TRP 106  -1.646  21.575  21.575
  767    HE3  TRP 106          3HE       TRP 106   3.114  19.281  19.281
  768    HZ2  TRP 106          2HZ       TRP 106   0.326  23.365  23.365
  769    HZ3  TRP 106          3HZ       TRP 106   4.113  21.369  21.369
  770    HH2  TRP 106           HH       TRP 106   2.725  23.409  23.409

  Start of MODEL    8
    1   1H    SER   1          1HT       SER   1   1.875 -10.024 -10.024
    2   2H    SER   1          3HT       SER   1   0.612 -10.420 -10.420
    3   3H    SER   1          2HT       SER   1   2.076 -11.280 -11.280
    4    HA   SER   1           HA       SER   1   2.364  -9.860  -9.860
    5   1HB   SER   1          2HB       SER   1   1.416  -7.384  -7.384
    6   2HB   SER   1          1HB       SER   1   0.846  -8.187  -8.187
    7    HG   SER   1           HG       SER   1  -0.847  -8.574  -8.574
    8    H    LYS   2           H        LYS   2   4.153  -8.404  -8.404
    9    HA   LYS   2           HA       LYS   2   6.164  -8.305  -8.305
   10   1HB   LYS   2          2HB       LYS   2   6.140  -8.017  -8.017
   11   2HB   LYS   2          1HB       LYS   2   5.991  -6.305  -6.305
   12   1HG   LYS   2          2HG       LYS   2   8.016  -7.542  -7.542
   13   2HG   LYS   2          1HG       LYS   2   8.360  -7.836  -7.836
   14   1HD   LYS   2          2HD       LYS   2   7.771  -5.279  -5.279
   15   2HD   LYS   2          1HD       LYS   2   8.156  -5.226  -5.226
   16   1HE   LYS   2          2HE       LYS   2  10.169  -6.772  -6.772
   17   2HE   LYS   2          1HE       LYS   2  10.001  -5.175  -5.175
   18   1HZ   LYS   2          3HZ       LYS   2  10.060  -5.514  -5.514
   19   2HZ   LYS   2          2HZ       LYS   2  11.489  -5.318  -5.318
   20   3HZ   LYS   2          1HZ       LYS   2  10.306  -4.098  -4.098
   21    H    VAL   3           H        VAL   3   6.233  -6.959  -6.959
   22    HA   VAL   3           HA       VAL   3   4.716  -4.379  -4.379
   23    HB   VAL   3           HB       VAL   3   5.030  -6.476  -6.476
   24   1HG1  VAL   3          1HG1      VAL   3   4.431  -3.540  -3.540
   25   2HG1  VAL   3          3HG1      VAL   3   3.784  -4.735  -4.735
   26   3HG1  VAL   3          2HG1      VAL   3   5.529  -4.552  -4.552
   27   1HG2  VAL   3          3HG2      VAL   3   3.114  -6.360  -6.360
   28   2HG2  VAL   3          2HG2      VAL   3   2.653  -6.447  -6.447
   29   3HG2  VAL   3          1HG2      VAL   3   2.601  -4.904  -4.904
   30    H    VAL   4           H        VAL   4   5.732  -2.550  -2.550
   31    HA   VAL   4           HA       VAL   4   8.508  -2.897  -2.897
   32    HB   VAL   4           HB       VAL   4   7.456  -1.237  -1.237
   33   1HG1  VAL   4          2HG1      VAL   4   9.946  -0.637  -0.637
   34   2HG1  VAL   4          1HG1      VAL   4   9.524   0.133   0.133
   35   3HG1  VAL   4          3HG1      VAL   4   8.514   0.386   0.386
   36   1HG2  VAL   4          1HG2      VAL   4   9.558  -3.273  -3.273
   37   2HG2  VAL   4          3HG2      VAL   4   8.543  -3.015  -3.015
   38   3HG2  VAL   4          2HG2      VAL   4   9.956  -1.995  -1.995
   39    H    TYR   5           H        TYR   5   8.739  -1.950  -1.950
   40    HA   TYR   5           HA       TYR   5   6.645  -0.112  -0.112
   41   1HB   TYR   5          2HB       TYR   5   8.872  -1.769  -1.769
   42   2HB   TYR   5          1HB       TYR   5   7.782  -0.814  -0.814
   43    HD1  TYR   5          2HD       TYR   5   5.223  -1.055  -1.055
   44    HD2  TYR   5          1HD       TYR   5   8.316  -4.040  -4.040
   45    HE1  TYR   5          2HE       TYR   5   3.526  -2.825  -2.825
   46    HE2  TYR   5          1HE       TYR   5   6.629  -5.748  -5.748
   47    HH   TYR   5           HH       TYR   5   4.286  -6.030  -6.030
   48    H    VAL   6           H        VAL   6   7.052   1.989   1.989
   49    HA   VAL   6           HA       VAL   6   9.942   2.854   2.854
   50    HB   VAL   6           HB       VAL   6   7.604   4.598   4.598
   51   1HG1  VAL   6          2HG1      VAL   6  10.275   5.146   5.146
   52   2HG1  VAL   6          1HG1      VAL   6  10.243   4.899   4.899
   53   3HG1  VAL   6          3HG1      VAL   6   9.208   6.122   6.122
   54   1HG2  VAL   6          2HG2      VAL   6   7.676   2.508   2.508
   55   2HG2  VAL   6          1HG2      VAL   6   7.981   3.971   3.971
   56   3HG2  VAL   6          3HG2      VAL   6   9.323   2.923   2.923
   57    H    SER   7           H        SER   7  10.571   3.528   3.528
   58    HA   SER   7           HA       SER   7   8.635   4.278   4.278
   59   1HB   SER   7          2HB       SER   7  10.729   4.552   4.552
   60   2HB   SER   7          1HB       SER   7  10.696   3.001   3.001
   61    HG   SER   7           HG       SER   7  12.052   5.376   5.376
   62    H    HIS   8           H        HIS   8   7.982   6.394   6.394
   63    HA   HIS   8           HA       HIS   8   8.355   8.462   8.462
   64   1HB   HIS   8          2HB       HIS   8   7.195   8.106   8.106
   65   2HB   HIS   8          1HB       HIS   8   8.395   9.365   9.365
   66    HD1  HIS   8          1HD       HIS   8   5.514   8.598   8.598
   67    HD2  HIS   8          2HD       HIS   8   7.689  11.880  11.880
   68    HE1  HIS   8          1HE       HIS   8   4.351  10.659  10.659
   69    H    ASP   9           H        ASP   9  10.723   7.327   7.327
   70    HA   ASP   9           HA       ASP   9  12.424   9.697   9.697
   71   1HB   ASP   9          2HB       ASP   9  13.145   8.720   8.720
   72   2HB   ASP   9          1HB       ASP   9  12.143   7.314   7.314
   73    H    GLY  10           H        GLY  10  11.725   7.233   7.233
   74   1HA   GLY  10          2HA       GLY  10  12.803   7.316   7.316
   75   2HA   GLY  10          1HA       GLY  10  14.333   7.600   7.600
   76    H    THR  11           H        THR  11  13.979   5.532   5.532
   77    HA   THR  11           HA       THR  11  15.166   3.329   3.329
   78    HB   THR  11           HB       THR  11  14.042   4.091   4.091
   79    HG1  THR  11          1HG       THR  11  15.659   1.862   1.862
   80   1HG2  THR  11          2HG2      THR  11  12.280   2.346   2.346
   81   2HG2  THR  11          1HG2      THR  11  13.578   1.159   1.159
   82   3HG2  THR  11          3HG2      THR  11  13.099   2.085   2.085
   83    H    ARG  12           H        ARG  12  14.400   1.634   1.634
   84    HA   ARG  12           HA       ARG  12  11.438   1.424   1.424
   85   1HB   ARG  12          2HB       ARG  12  13.683   1.915   1.915
   86   2HB   ARG  12          1HB       ARG  12  12.613   0.623   0.623
   87   1HG   ARG  12          2HG       ARG  12  10.667   2.165   2.165
   88   2HG   ARG  12          1HG       ARG  12  11.822   3.457   3.457
   89   1HD   ARG  12          2HD       ARG  12  12.047   1.868   1.868
   90   2HD   ARG  12          1HD       ARG  12  10.895   3.214   3.214
   91    HE   ARG  12           HE       ARG  12  12.997   4.503   4.503
   92   1HH1  ARG  12          1HH1      ARG  12  12.493   2.857   2.857
   93   2HH1  ARG  12          2HH1      ARG  12  14.113   3.044   3.044
   94   1HH2  ARG  12          1HH2      ARG  12  15.309   4.388   4.388
   95   2HH2  ARG  12          2HH2      ARG  12  15.707   3.911   3.911
   96    H    ARG  13           H        ARG  13  10.616  -0.710  -0.710
   97    HA   ARG  13           HA       ARG  13  12.594  -2.949  -2.949
   98   1HB   ARG  13          2HB       ARG  13  10.449  -3.967  -3.967
   99   2HB   ARG  13          1HB       ARG  13  11.869  -3.272  -3.272
  100   1HG   ARG  13          2HG       ARG  13  10.171  -1.085  -1.085
  101   2HG   ARG  13          1HG       ARG  13   9.120  -2.372  -2.372
  102   1HD   ARG  13          2HD       ARG  13  10.207  -2.491  -2.491
  103   2HD   ARG  13          1HD       ARG  13  11.698  -1.760  -1.760
  104    HE   ARG  13           HE       ARG  13  10.399   0.384   0.384
  105   1HH1  ARG  13          1HH2      ARG  13   7.674  -0.009  -0.009
  106   2HH1  ARG  13          2HH2      ARG  13   7.364   0.071   0.071
  107   1HH2  ARG  13          1HH1      ARG  13  10.675  -0.441  -0.441
  108   2HH2  ARG  13          2HH1      ARG  13   9.063  -0.173  -0.173
  109    H    GLU  14           H        GLU  14  12.299  -4.193  -4.193
  110    HA   GLU  14           HA       GLU  14   9.703  -4.100  -4.100
  111   1HB   GLU  14          2HB       GLU  14  12.356  -5.401  -5.401
  112   2HB   GLU  14          1HB       GLU  14  11.023  -5.090  -5.090
  113   1HG   GLU  14          2HG       GLU  14  11.339  -2.597  -2.597
  114   2HG   GLU  14          1HG       GLU  14  12.977  -3.174  -3.174
  115    H    LEU  15           H        LEU  15   8.221  -5.729  -5.729
  116    HA   LEU  15           HA       LEU  15   9.217  -8.295  -8.295
  117   1HB   LEU  15          2HB       LEU  15   6.752  -6.634  -6.634
  118   2HB   LEU  15          1HB       LEU  15   6.544  -8.379  -8.379
  119    HG   LEU  15           HG       LEU  15   8.276  -6.628  -6.628
  120   1HD1  LEU  15          2HD1      LEU  15   5.607  -7.697  -7.697
  121   2HD1  LEU  15          1HD1      LEU  15   6.617  -8.452  -8.452
  122   3HD1  LEU  15          3HD1      LEU  15   6.460  -6.699  -6.699
  123   1HD2  LEU  15          1HD2      LEU  15   9.363  -8.813  -8.813
  124   2HD2  LEU  15          3HD2      LEU  15   8.935  -8.613  -8.613
  125   3HD2  LEU  15          2HD2      LEU  15   7.916  -9.612  -9.612
  126    H    ASP  16           H        ASP  16   8.597 -10.242 -10.242
  127    HA   ASP  16           HA       ASP  16   7.522 -10.047 -10.047
  128   1HB   ASP  16          2HB       ASP  16   9.321 -11.845 -11.845
  129   2HB   ASP  16          1HB       ASP  16   8.306 -12.631 -12.631
  130    H    VAL  17           H        VAL  17   5.311  -9.749  -9.749
  131    HA   VAL  17           HA       VAL  17   4.119 -11.878 -11.878
  132    HB   VAL  17           HB       VAL  17   3.264  -9.165  -9.165
  133   1HG1  VAL  17          1HG1      VAL  17   1.679 -11.271 -11.271
  134   2HG1  VAL  17          3HG1      VAL  17   1.229  -9.566  -9.566
  135   3HG1  VAL  17          2HG1      VAL  17   1.257 -10.475 -10.475
  136   1HG2  VAL  17          3HG2      VAL  17   4.526 -10.207 -10.207
  137   2HG2  VAL  17          2HG2      VAL  17   4.260  -8.530  -8.530
  138   3HG2  VAL  17          1HG2      VAL  17   3.004  -9.409  -9.409
  139    H    ALA  18           H        ALA  18   1.976 -12.736 -12.736
  140    HA   ALA  18           HA       ALA  18   1.892 -13.124 -13.124
  141   1HB   ALA  18          2HB       ALA  18   2.586 -15.090 -15.090
  142   2HB   ALA  18          1HB       ALA  18   1.062 -14.991 -14.991
  143   3HB   ALA  18          3HB       ALA  18   1.058 -15.373 -15.373
  144    H    ASP  19           H        ASP  19  -0.657 -14.691 -14.691
  145    HA   ASP  19           HA       ASP  19  -2.484 -12.359 -12.359
  146   1HB   ASP  19          2HB       ASP  19  -3.827 -13.742 -13.742
  147   2HB   ASP  19          1HB       ASP  19  -2.192 -14.244 -14.244
  148    H    GLY  20           H        GLY  20  -3.722 -11.993 -11.993
  149   1HA   GLY  20          2HA       GLY  20  -5.386 -12.876 -12.876
  150   2HA   GLY  20          1HA       GLY  20  -4.351 -14.288 -14.288
  151    H    VAL  21           H        VAL  21  -2.105 -11.982 -11.982
  152    HA   VAL  21           HA       VAL  21  -2.115 -11.692 -11.692
  153    HB   VAL  21           HB       VAL  21   0.014 -11.156 -11.156
  154   1HG1  VAL  21          2HG1      VAL  21   0.083 -11.289 -11.289
  155   2HG1  VAL  21          1HG1      VAL  21   1.529 -11.309 -11.309
  156   3HG1  VAL  21          3HG1      VAL  21   0.469  -9.900  -9.900
  157   1HG2  VAL  21          2HG2      VAL  21  -0.870 -13.603 -13.603
  158   2HG2  VAL  21          1HG2      VAL  21  -0.017 -13.443 -13.443
  159   3HG2  VAL  21          3HG2      VAL  21   0.873 -13.320 -13.320
  160    H    SER  22           H        SER  22  -1.171  -9.582  -9.582
  161    HA   SER  22           HA       SER  22  -2.216  -7.252  -7.252
  162   1HB   SER  22          2HB       SER  22  -2.061  -6.652  -6.652
  163   2HB   SER  22          1HB       SER  22  -3.520  -6.900  -6.900
  164    HG   SER  22           HG       SER  22  -2.354  -8.502  -8.502
  165    H    LEU  23           H        LEU  23  -0.975  -5.167  -5.167
  166    HA   LEU  23           HA       LEU  23   1.838  -5.519  -5.519
  167   1HB   LEU  23          2HB       LEU  23   0.358  -3.189  -3.189
  168   2HB   LEU  23          1HB       LEU  23   1.921  -3.128  -3.128
  169    HG   LEU  23           HG       LEU  23  -0.767  -3.491  -3.491
  170   1HD1  LEU  23          1HD1      LEU  23   0.508  -1.250  -1.250
  171   2HD1  LEU  23          3HD1      LEU  23   1.573  -1.844  -1.844
  172   3HD1  LEU  23          2HD1      LEU  23  -0.146  -1.603  -1.603
  173   1HD2  LEU  23          3HD2      LEU  23   1.910  -4.480  -4.480
  174   2HD2  LEU  23          2HD2      LEU  23   0.324  -5.232  -5.232
  175   3HD2  LEU  23          1HD2      LEU  23   0.763  -3.856  -3.856
  176    H    MET  24           H        MET  24  -0.177  -5.469  -5.469
  177    HA   MET  24           HA       MET  24   2.080  -5.187  -5.187
  178   1HB   MET  24          2HB       MET  24   0.054  -4.336  -4.336
  179   2HB   MET  24          1HB       MET  24  -0.854  -5.743  -5.743
  180   1HG   MET  24          2HG       MET  24  -0.519  -6.777  -6.777
  181   2HG   MET  24          1HG       MET  24   1.222  -6.550  -6.550
  182   1HE   MET  24          1HE       MET  24  -1.064  -6.516  -6.516
  183   2HE   MET  24          3HE       MET  24   0.630  -6.542  -6.542
  184   3HE   MET  24          2HE       MET  24  -0.478  -5.337  -5.337
  185    H    GLN  25           H        GLN  25  -0.216  -7.802  -7.802
  186    HA   GLN  25           HA       GLN  25   0.759  -9.846  -9.846
  187   1HB   GLN  25          2HB       GLN  25  -1.099  -9.859  -9.859
  188   2HB   GLN  25          1HB       GLN  25   0.063  -9.857  -9.857
  189   1HG   GLN  25          2HG       GLN  25   0.748 -12.061 -12.061
  190   2HG   GLN  25          1HG       GLN  25   0.150 -12.015 -12.015
  191   1HE2  GLN  25          2HE2      GLN  25  -3.134 -11.907 -11.907
  192   2HE2  GLN  25          1HE2      GLN  25  -2.101 -10.572 -10.572
  193    H    ALA  26           H        ALA  26   2.001  -9.604  -9.604
  194    HA   ALA  26           HA       ALA  26   4.206 -11.308 -11.308
  195   1HB   ALA  26          3HB       ALA  26   3.730  -8.800  -8.800
  196   2HB   ALA  26          2HB       ALA  26   5.300  -9.642  -9.642
  197   3HB   ALA  26          1HB       ALA  26   3.800 -10.486 -10.486
  198    H    ALA  27           H        ALA  27   4.274  -7.753  -7.753
  199    HA   ALA  27           HA       ALA  27   6.879  -7.414  -7.414
  200   1HB   ALA  27          3HB       ALA  27   4.216  -6.064  -6.064
  201   2HB   ALA  27          2HB       ALA  27   5.587  -5.450  -5.450
  202   3HB   ALA  27          1HB       ALA  27   5.655  -5.495  -5.495
  203    H    VAL  28           H        VAL  28   3.873  -7.654  -7.654
  204    HA   VAL  28           HA       VAL  28   4.563  -7.748  -7.748
  205    HB   VAL  28           HB       VAL  28   2.619  -8.865  -8.865
  206   1HG1  VAL  28          2HG1      VAL  28   3.459 -10.603 -10.603
  207   2HG1  VAL  28          1HG1      VAL  28   1.744 -10.488 -10.488
  208   3HG1  VAL  28          3HG1      VAL  28   2.878 -11.070 -11.070
  209   1HG2  VAL  28          3HG2      VAL  28   2.481  -7.008  -7.008
  210   2HG2  VAL  28          2HG2      VAL  28   1.076  -8.027  -8.027
  211   3HG2  VAL  28          1HG2      VAL  28   2.088  -8.350  -8.350
  212    H    SER  29           H        SER  29   4.498 -10.742 -10.742
  213    HA   SER  29           HA       SER  29   5.941 -12.436 -12.436
  214   1HB   SER  29          2HB       SER  29   6.604 -12.941 -12.941
  215   2HB   SER  29          1HB       SER  29   5.426 -13.794 -13.794
  216    HG   SER  29           HG       SER  29   4.375 -12.900 -12.900
  217    H    ASN  30           H        ASN  30   7.073 -10.507 -10.507
  218    HA   ASN  30           HA       ASN  30   9.862 -11.035 -11.035
  219   1HB   ASN  30          2HB       ASN  30   7.993  -9.185  -9.185
  220   2HB   ASN  30          1HB       ASN  30   9.594  -8.499  -8.499
  221   1HD2  ASN  30          2HD2      ASN  30   9.053 -11.308 -11.308
  222   2HD2  ASN  30          1HD2      ASN  30   7.762 -10.659 -10.659
  223    H    GLY  31           H        GLY  31   7.761  -9.414  -9.414
  224   1HA   GLY  31          2HA       GLY  31   8.318  -8.348  -8.348
  225   2HA   GLY  31          1HA       GLY  31  10.017  -8.381  -8.381
  226    H    ILE  32           H        ILE  32   8.633  -7.207  -7.207
  227    HA   ILE  32           HA       ILE  32   9.569  -4.606  -4.606
  228    HB   ILE  32           HB       ILE  32   7.279  -5.983  -5.983
  229   1HG1  ILE  32          2HG1      ILE  32   9.916  -4.768  -4.768
  230   2HG1  ILE  32          1HG1      ILE  32   9.463  -6.474  -6.474
  231   1HG2  ILE  32          3HG2      ILE  32   7.995  -3.049  -3.049
  232   2HG2  ILE  32          2HG2      ILE  32   6.922  -3.939  -3.939
  233   3HG2  ILE  32          1HG2      ILE  32   6.467  -3.691  -3.691
  234   1HD1  ILE  32          1HD1      ILE  32   7.479  -5.404  -5.404
  235   2HD1  ILE  32          3HD1      ILE  32   8.826  -4.343  -4.343
  236   3HD1  ILE  32          2HD1      ILE  32   8.970  -6.083  -6.083
  237    H    TYR  33           H        TYR  33   6.604  -5.896  -5.896
  238    HA   TYR  33           HA       TYR  33   5.938  -3.153  -3.153
  239   1HB   TYR  33          2HB       TYR  33   4.386  -5.676  -5.676
  240   2HB   TYR  33          1HB       TYR  33   3.724  -4.369  -4.369
  241    HD1  TYR  33          1HD       TYR  33   3.873  -1.966  -1.966
  242    HD2  TYR  33          2HD       TYR  33   4.235  -5.578  -5.578
  243    HE1  TYR  33          1HE       TYR  33   3.328  -0.707  -0.707
  244    HE2  TYR  33          2HE       TYR  33   3.663  -4.361  -4.361
  245    HH   TYR  33           HH       TYR  33   2.719  -2.367  -2.367
  246    H    ASP  34           H        ASP  34   7.942  -4.039  -4.039
  247    HA   ASP  34           HA       ASP  34   7.002  -5.642  -5.642
  248   1HB   ASP  34          2HB       ASP  34   9.163  -4.944  -4.944
  249   2HB   ASP  34          1HB       ASP  34   9.394  -5.399  -5.399
  250    H    ILE  35           H        ILE  35   5.057  -3.773  -3.773
  251    HA   ILE  35           HA       ILE  35   5.453  -1.565  -1.565
  252    HB   ILE  35           HB       ILE  35   3.831  -0.390  -0.390
  253   1HG1  ILE  35          2HG1      ILE  35   3.007  -1.937  -1.937
  254   2HG1  ILE  35          1HG1      ILE  35   3.119  -3.150  -3.150
  255   1HG2  ILE  35          3HG2      ILE  35   5.937  -1.886  -1.886
  256   2HG2  ILE  35          2HG2      ILE  35   4.740  -0.977  -0.977
  257   3HG2  ILE  35          1HG2      ILE  35   5.759  -0.151  -0.151
  258   1HD1  ILE  35          3HD1      ILE  35   1.910  -0.971  -0.971
  259   2HD1  ILE  35          2HD1      ILE  35   1.168  -1.013  -1.013
  260   3HD1  ILE  35          1HD1      ILE  35   1.095  -2.433  -2.433
  261    H    VAL  36           H        VAL  36   3.143  -0.938  -0.938
  262    HA   VAL  36           HA       VAL  36   1.723  -3.436  -3.436
  263    HB   VAL  36           HB       VAL  36   2.871  -2.617  -2.617
  264   1HG1  VAL  36          3HG1      VAL  36   2.395   0.006   0.006
  265   2HG1  VAL  36          2HG1      VAL  36   2.405   0.016   0.016
  266   3HG1  VAL  36          1HG1      VAL  36   3.812  -0.574  -0.574
  267   1HG2  VAL  36          2HG2      VAL  36   0.328  -2.856  -2.856
  268   2HG2  VAL  36          1HG2      VAL  36   1.159  -1.918  -1.918
  269   3HG2  VAL  36          3HG2      VAL  36   0.270  -1.094  -1.094
  270    H    GLY  37           H        GLY  37  -0.041  -3.347  -3.347
  271   1HA   GLY  37          2HA       GLY  37  -1.662  -0.829  -0.829
  272   2HA   GLY  37          1HA       GLY  37  -1.567  -1.851  -1.851
  273    H    ASP  38           H        ASP  38  -4.055  -1.465  -1.465
  274    HA   ASP  38           HA       ASP  38  -4.930  -3.596  -3.596
  275   1HB   ASP  38          2HB       ASP  38  -5.734  -0.963  -0.963
  276   2HB   ASP  38          1HB       ASP  38  -7.022  -2.001  -2.001
  277    H    CYS  39           H        CYS  39  -4.219  -3.344  -3.344
  278    HA   CYS  39           HA       CYS  39  -6.470  -4.592  -4.592
  279   1HB   CYS  39          2HB       CYS  39  -4.738  -4.979  -4.979
  280   2HB   CYS  39          1HB       CYS  39  -4.777  -3.328  -3.328
  281    H    GLY  40           H        GLY  40  -3.530  -5.856  -5.856
  282   1HA   GLY  40          2HA       GLY  40  -2.852  -8.094  -8.094
  283   2HA   GLY  40          1HA       GLY  40  -4.558  -8.340  -8.340
  284    H    GLY  41           H        GLY  41  -3.462  -7.221  -7.221
  285   1HA   GLY  41          2HA       GLY  41  -3.383  -8.316  -8.316
  286   2HA   GLY  41          1HA       GLY  41  -3.694  -9.850  -9.850
  287    H    SER  42           H        SER  42  -5.614  -6.884  -6.884
  288    HA   SER  42           HA       SER  42  -7.817  -8.205  -8.205
  289   1HB   SER  42          2HB       SER  42  -7.923  -8.677  -8.677
  290   2HB   SER  42          1HB       SER  42  -8.066  -6.943  -6.943
  291    HG   SER  42           HG       SER  42  -9.948  -8.729  -8.729
  292    H    ALA  43           H        ALA  43  -5.972  -5.534  -5.534
  293    HA   ALA  43           HA       ALA  43  -6.241  -3.462  -3.462
  294   1HB   ALA  43          2HB       ALA  43  -8.030  -5.162  -5.162
  295   2HB   ALA  43          1HB       ALA  43  -9.109  -3.913  -3.913
  296   3HB   ALA  43          3HB       ALA  43  -7.829  -3.491  -3.491
  297    H    SER  44           H        SER  44  -6.622  -3.523  -3.523
  298    HA   SER  44           HA       SER  44  -8.520  -1.238  -1.238
  299   1HB   SER  44          2HB       SER  44  -9.175  -3.646  -3.646
  300   2HB   SER  44          1HB       SER  44  -8.027  -3.269  -3.269
  301    HG   SER  44           HG       SER  44 -10.026  -2.538  -2.538
  302    H    CYS  45           H        CYS  45  -5.747  -1.014  -1.014
  303    HA   CYS  45           HA       CYS  45  -4.582  -0.563  -0.563
  304   1HB   CYS  45          2HB       CYS  45  -2.385  -0.572  -0.572
  305   2HB   CYS  45          1HB       CYS  45  -3.188  -2.062  -2.062
  306    H    ALA  46           H        ALA  46  -3.977   1.361   1.361
  307    HA   ALA  46           HA       ALA  46  -4.070   3.709   3.709
  308   1HB   ALA  46          3HB       ALA  46  -4.056   3.185   3.185
  309   2HB   ALA  46          2HB       ALA  46  -3.589   4.779   4.779
  310   3HB   ALA  46          1HB       ALA  46  -5.195   4.141   4.141
  311    H    THR  47           H        THR  47  -1.891   1.376   1.376
  312    HA   THR  47           HA       THR  47   0.459   3.209   3.209
  313    HB   THR  47           HB       THR  47   1.553   0.998   0.998
  314    HG1  THR  47          1HG       THR  47  -1.135   0.179   0.179
  315   1HG2  THR  47          1HG2      THR  47   0.433   2.850   2.850
  316   2HG2  THR  47          3HG2      THR  47  -0.795   1.615   1.615
  317   3HG2  THR  47          2HG2      THR  47   0.883   1.306   1.306
  318    H    CYS  48           H        CYS  48  -0.760   0.396   0.396
  319    HA   CYS  48           HA       CYS  48   1.589   0.410   0.410
  320   1HB   CYS  48          2HB       CYS  48  -0.969  -0.922  -0.922
  321   2HB   CYS  48          1HB       CYS  48   0.680  -1.463  -1.463
  322    H    HIS  49           H        HIS  49  -0.226   2.905   2.905
  323    HA   HIS  49           HA       HIS  49  -1.768   3.370   3.370
  324   1HB   HIS  49          2HB       HIS  49  -1.130   4.872   4.872
  325   2HB   HIS  49          1HB       HIS  49   0.347   5.241   5.241
  326    HD1  HIS  49          1HD       HIS  49  -1.602   7.524   7.524
  327    HD2  HIS  49          2HD       HIS  49  -1.742   5.242   5.242
  328    HE1  HIS  49          1HE       HIS  49  -2.890   8.886   8.886
  329    H    VAL  50           H        VAL  50  -1.267   3.556   3.556
  330    HA   VAL  50           HA       VAL  50   1.594   3.671   3.671
  331    HB   VAL  50           HB       VAL  50   1.079   1.807   1.807
  332   1HG1  VAL  50          2HG1      VAL  50   1.252   1.594   1.594
  333   2HG1  VAL  50          1HG1      VAL  50   0.677   0.141   0.141
  334   3HG1  VAL  50          3HG1      VAL  50   2.235   0.842   0.842
  335   1HG2  VAL  50          3HG2      VAL  50  -1.395   2.248   2.248
  336   2HG2  VAL  50          2HG2      VAL  50  -0.951   0.540   0.540
  337   3HG2  VAL  50          1HG2      VAL  50  -1.393   1.488   1.488
  338    H    TYR  51           H        TYR  51   1.860   4.384   4.384
  339    HA   TYR  51           HA       TYR  51  -0.604   5.397   5.397
  340   1HB   TYR  51          2HB       TYR  51   2.017   6.665   6.665
  341   2HB   TYR  51          1HB       TYR  51   1.124   7.232   7.232
  342    HD1  TYR  51          2HD       TYR  51   0.901   6.714   6.714
  343    HD2  TYR  51          1HD       TYR  51  -0.940   8.398   8.398
  344    HE1  TYR  51          2HE       TYR  51  -0.751   7.916   7.916
  345    HE2  TYR  51          1HE       TYR  51  -2.539   9.592   9.592
  346    HH   TYR  51           HH       TYR  51  -3.439   8.957   8.957
  347    H    VAL  52           H        VAL  52  -0.840   4.649   4.649
  348    HA   VAL  52           HA       VAL  52   1.383   3.055   3.055
  349    HB   VAL  52           HB       VAL  52  -1.468   3.443   3.443
  350   1HG1  VAL  52          1HG1      VAL  52   0.167   2.373   2.373
  351   2HG1  VAL  52          3HG1      VAL  52   0.463   1.123   1.123
  352   3HG1  VAL  52          2HG1      VAL  52  -1.139   1.286   1.286
  353   1HG2  VAL  52          1HG2      VAL  52  -0.436   2.097   2.097
  354   2HG2  VAL  52          3HG2      VAL  52  -2.109   2.397   2.397
  355   3HG2  VAL  52          2HG2      VAL  52  -1.263   0.972   0.972
  356    H    ASN  53           H        ASN  53   1.721   3.360   3.360
  357    HA   ASN  53           HA       ASN  53   2.407   6.112   6.112
  358   1HB   ASN  53          2HB       ASN  53   2.813   5.062   5.062
  359   2HB   ASN  53          1HB       ASN  53   3.635   4.256   4.256
  360   1HD2  ASN  53          2HD2      ASN  53   1.821   1.270   1.270
  361   2HD2  ASN  53          1HD2      ASN  53   3.016   2.111   2.111
  362    H    GLU  54           H        GLU  54   1.409   6.017   6.017
  363    HA   GLU  54           HA       GLU  54  -1.364   6.954   6.954
  364   1HB   GLU  54          2HB       GLU  54  -1.031   8.198   8.198
  365   2HB   GLU  54          1HB       GLU  54   0.280   8.515   8.515
  366   1HG   GLU  54          2HG       GLU  54   1.826   7.317   7.317
  367   2HG   GLU  54          1HG       GLU  54   0.606   6.238   6.238
  368    H    ALA  55           H        ALA  55   0.343   4.377   4.377
  369    HA   ALA  55           HA       ALA  55  -1.943   3.839   3.839
  370   1HB   ALA  55          2HB       ALA  55   0.538   3.913   3.913
  371   2HB   ALA  55          1HB       ALA  55   0.677   2.363   2.363
  372   3HB   ALA  55          3HB       ALA  55  -0.376   2.519   2.519
  373    H    PHE  56           H        PHE  56  -0.239   2.171   2.171
  374    HA   PHE  56           HA       PHE  56  -1.881  -0.244  -0.244
  375   1HB   PHE  56          2HB       PHE  56   0.120   0.700   0.700
  376   2HB   PHE  56          1HB       PHE  56  -0.589  -0.909  -0.909
  377    HD1  PHE  56          1HD       PHE  56   1.547   1.438   1.438
  378    HD2  PHE  56          2HD       PHE  56   0.158  -2.649  -2.649
  379    HE1  PHE  56          1HE       PHE  56   3.195   0.748   0.748
  380    HE2  PHE  56          2HE       PHE  56   1.795  -3.282  -3.282
  381    HZ   PHE  56           HZ       PHE  56   3.323  -1.610  -1.610
  382    H    THR  57           H        THR  57  -2.318   2.747   2.747
  383    HA   THR  57           HA       THR  57  -3.970   1.732   1.732
  384    HB   THR  57           HB       THR  57  -3.911   3.920   3.920
  385    HG1  THR  57          1HG       THR  57  -5.134   5.019   5.019
  386   1HG2  THR  57          3HG2      THR  57  -1.585   3.171   3.171
  387   2HG2  THR  57          2HG2      THR  57  -1.918   4.580   4.580
  388   3HG2  THR  57          1HG2      THR  57  -1.794   4.750   4.750
  389    H    ASP  58           H        ASP  58  -4.453   2.922   2.922
  390    HA   ASP  58           HA       ASP  58  -7.343   3.284   3.284
  391   1HB   ASP  58          2HB       ASP  58  -7.113   3.561   3.561
  392   2HB   ASP  58          1HB       ASP  58  -6.047   4.609   4.609
  393    H    LYS  59           H        LYS  59  -5.176   0.683   0.683
  394    HA   LYS  59           HA       LYS  59  -7.243  -0.955  -0.955
  395   1HB   LYS  59          2HB       LYS  59  -4.457  -1.527  -1.527
  396   2HB   LYS  59          1HB       LYS  59  -5.389  -2.622  -2.622
  397   1HG   LYS  59          2HG       LYS  59  -4.329   0.122   0.122
  398   2HG   LYS  59          1HG       LYS  59  -3.919  -1.419  -1.419
  399   1HD   LYS  59          2HD       LYS  59  -6.639  -1.395  -1.395
  400   2HD   LYS  59          1HD       LYS  59  -6.263   0.323   0.323
  401   1HE   LYS  59          2HE       LYS  59  -4.928  -1.893  -1.893
  402   2HE   LYS  59          1HE       LYS  59  -6.156  -0.771  -0.771
  403   1HZ   LYS  59          2HZ       LYS  59  -4.649   1.046   1.046
  404   2HZ   LYS  59          1HZ       LYS  59  -3.440  -0.142  -0.142
  405   3HZ   LYS  59          3HZ       LYS  59  -4.117   0.239   0.239
  406    H    VAL  60           H        VAL  60  -5.392  -1.138  -1.138
  407    HA   VAL  60           HA       VAL  60  -6.438  -3.332  -3.332
  408    HB   VAL  60           HB       VAL  60  -6.165  -1.848  -1.848
  409   1HG1  VAL  60          2HG1      VAL  60  -4.031  -1.966  -1.966
  410   2HG1  VAL  60          1HG1      VAL  60  -3.719  -1.455  -1.455
  411   3HG1  VAL  60          3HG1      VAL  60  -4.276  -3.096  -3.096
  412   1HG2  VAL  60          2HG2      VAL  60  -6.883   0.228   0.228
  413   2HG2  VAL  60          1HG2      VAL  60  -5.428   0.408   0.408
  414   3HG2  VAL  60          3HG2      VAL  60  -5.295   0.192   0.192
  415    HA   PRO  61           HA       PRO  61 -10.777  -2.785  -2.785
  416   1HB   PRO  61          2HB       PRO  61 -11.164  -3.986  -3.986
  417   2HB   PRO  61          1HB       PRO  61 -10.879  -4.876  -4.876
  418   1HG   PRO  61          2HG       PRO  61  -8.952  -4.161  -4.161
  419   2HG   PRO  61          1HG       PRO  61  -9.127  -5.687  -5.687
  420   1HD   PRO  61          2HD       PRO  61  -7.185  -3.926  -3.926
  421   2HD   PRO  61          1HD       PRO  61  -7.992  -4.900  -4.900
  422    H    ALA  62           H        ALA  62 -12.362  -1.773  -1.773
  423    HA   ALA  62           HA       ALA  62 -11.463   0.687   0.687
  424   1HB   ALA  62          2HB       ALA  62 -13.600  -0.290  -0.290
  425   2HB   ALA  62          1HB       ALA  62 -14.300   0.030   0.030
  426   3HB   ALA  62          3HB       ALA  62 -13.483   1.323   1.323
  427    H    ALA  63           H        ALA  63 -10.973   0.725   0.725
  428    HA   ALA  63           HA       ALA  63 -11.705  -1.342  -1.342
  429   1HB   ALA  63          3HB       ALA  63  -9.719   0.345   0.345
  430   2HB   ALA  63          2HB       ALA  63 -10.846   1.471   1.471
  431   3HB   ALA  63          1HB       ALA  63 -10.422  -0.034  -0.034
  432    H    ASN  64           H        ASN  64 -13.031  -0.883  -0.883
  433    HA   ASN  64           HA       ASN  64 -15.472   0.666   0.666
  434   1HB   ASN  64          2HB       ASN  64 -16.402  -0.675  -0.675
  435   2HB   ASN  64          1HB       ASN  64 -15.804  -1.647  -1.647
  436   1HD2  ASN  64          2HD2      ASN  64 -14.320  -3.174  -3.174
  437   2HD2  ASN  64          1HD2      ASN  64 -15.861  -3.041  -3.041
  438    H    GLU  65           H        GLU  65 -16.534   1.216   1.216
  439    HA   GLU  65           HA       GLU  65 -15.320   3.641   3.641
  440   1HB   GLU  65          2HB       GLU  65 -17.009   3.597   3.597
  441   2HB   GLU  65          1HB       GLU  65 -17.686   2.688   2.688
  442   1HG   GLU  65          2HG       GLU  65 -16.923   0.576   0.576
  443   2HG   GLU  65          1HG       GLU  65 -16.349   1.513   1.513
  444    H    ARG  66           H        ARG  66 -14.560   0.355   0.355
  445    HA   ARG  66           HA       ARG  66 -13.322   0.809   0.809
  446   1HB   ARG  66          2HB       ARG  66 -13.720  -1.293  -1.293
  447   2HB   ARG  66          1HB       ARG  66 -11.994  -1.229  -1.229
  448   1HG   ARG  66          2HG       ARG  66 -12.594  -1.171  -1.171
  449   2HG   ARG  66          1HG       ARG  66 -14.268  -1.494  -1.494
  450   1HD   ARG  66          2HD       ARG  66 -13.453  -3.559  -3.559
  451   2HD   ARG  66          1HD       ARG  66 -11.855  -3.270  -3.270
  452    HE   ARG  66           HE       ARG  66 -14.343  -3.799  -3.799
  453   1HH1  ARG  66          1HH1      ARG  66 -11.646  -2.276  -2.276
  454   2HH1  ARG  66          2HH1      ARG  66 -10.980  -3.509  -3.509
  455   1HH2  ARG  66          1HH2      ARG  66 -13.180  -5.962  -5.962
  456   2HH2  ARG  66          2HH2      ARG  66 -11.849  -5.594  -5.594
  457    H    GLU  67           H        GLU  67 -11.876   0.521   0.521
  458    HA   GLU  67           HA       GLU  67  -9.202   1.146   1.146
  459   1HB   GLU  67          2HB       GLU  67  -9.564   0.240   0.240
  460   2HB   GLU  67          1HB       GLU  67 -10.955   1.270   1.270
  461   1HG   GLU  67          2HG       GLU  67  -8.943   1.888   1.888
  462   2HG   GLU  67          1HG       GLU  67  -9.521   3.200   3.200
  463    H    ILE  68           H        ILE  68 -11.970   3.191   3.191
  464    HA   ILE  68           HA       ILE  68 -10.418   5.660   5.660
  465    HB   ILE  68           HB       ILE  68 -13.291   4.862   4.862
  466   1HG1  ILE  68          2HG1      ILE  68 -13.354   6.324   6.324
  467   2HG1  ILE  68          1HG1      ILE  68 -11.611   6.051   6.051
  468   1HG2  ILE  68          2HG2      ILE  68 -12.843   6.956   6.956
  469   2HG2  ILE  68          1HG2      ILE  68 -12.311   7.726   7.726
  470   3HG2  ILE  68          3HG2      ILE  68 -13.981   7.183   7.183
  471   1HD1  ILE  68          2HD1      ILE  68 -12.057   3.588   3.588
  472   2HD1  ILE  68          1HD1      ILE  68 -13.778   3.931   3.931
  473   3HD1  ILE  68          3HD1      ILE  68 -12.662   4.300   4.300
  474    H    GLY  69           H        GLY  69 -11.157   3.698   3.698
  475   1HA   GLY  69          2HA       GLY  69 -11.214   5.968   5.968
  476   2HA   GLY  69          1HA       GLY  69 -11.383   4.274   4.274
  477    H    MET  70           H        MET  70  -9.348   2.951   2.951
  478    HA   MET  70           HA       MET  70  -7.220   4.044   4.044
  479   1HB   MET  70          2HB       MET  70  -6.037   2.257   2.257
  480   2HB   MET  70          1HB       MET  70  -6.462   1.915   1.915
  481   1HG   MET  70          2HG       MET  70  -7.472   0.279   0.279
  482   2HG   MET  70          1HG       MET  70  -8.745   1.263   1.263
  483   1HE   MET  70          1HE       MET  70  -7.392  -0.438  -0.438
  484   2HE   MET  70          3HE       MET  70  -8.800  -0.375  -0.375
  485   3HE   MET  70          2HE       MET  70  -7.286   0.403   0.403
  486    H    LEU  71           H        LEU  71  -7.700   4.028   4.028
  487    HA   LEU  71           HA       LEU  71  -5.163   5.158   5.158
  488   1HB   LEU  71          2HB       LEU  71  -7.151   3.901   3.901
  489   2HB   LEU  71          1HB       LEU  71  -7.758   5.538   5.538
  490    HG   LEU  71           HG       LEU  71  -5.701   4.140   4.140
  491   1HD1  LEU  71          2HD1      LEU  71  -7.752   5.939   5.939
  492   2HD1  LEU  71          1HD1      LEU  71  -6.305   6.927   6.927
  493   3HD1  LEU  71          3HD1      LEU  71  -6.551   5.455   5.455
  494   1HD2  LEU  71          3HD2      LEU  71  -4.924   6.794   6.794
  495   2HD2  LEU  71          2HD2      LEU  71  -4.079   5.264   5.264
  496   3HD2  LEU  71          1HD2      LEU  71  -4.095   6.055   6.055
  497    H    GLU  72           H        GLU  72  -8.136   6.401   6.401
  498    HA   GLU  72           HA       GLU  72  -7.545   9.221   9.221
  499   1HB   GLU  72          2HB       GLU  72  -9.824   8.777   8.777
  500   2HB   GLU  72          1HB       GLU  72  -9.764   7.572   7.572
  501   1HG   GLU  72          2HG       GLU  72 -10.228   9.088   9.088
  502   2HG   GLU  72          1HG       GLU  72  -9.077  10.263  10.263
  503    H    CYS  73           H        CYS  73  -7.679   7.061   7.061
  504    HA   CYS  73           HA       CYS  73  -7.323   8.896   8.896
  505   1HB   CYS  73          2HB       CYS  73  -6.451   6.095   6.095
  506   2HB   CYS  73          1HB       CYS  73  -5.743   6.878   6.878
  507    HG   CYS  73           HG       CYS  73  -7.995   6.935   6.935
  508    H    VAL  74           H        VAL  74  -4.891   7.508   7.508
  509    HA   VAL  74           HA       VAL  74  -2.800   9.309   9.309
  510    HB   VAL  74           HB       VAL  74  -1.487   8.041   8.041
  511   1HG1  VAL  74          3HG1      VAL  74  -1.545   7.667   7.667
  512   2HG1  VAL  74          2HG1      VAL  74  -2.578   6.287   6.287
  513   3HG1  VAL  74          1HG1      VAL  74  -0.936   6.360   6.360
  514   1HG2  VAL  74          3HG2      VAL  74  -3.810   7.229   7.229
  515   2HG2  VAL  74          2HG2      VAL  74  -2.449   6.105   6.105
  516   3HG2  VAL  74          1HG2      VAL  74  -3.684   6.015   6.015
  517    H    THR  75           H        THR  75  -4.237  11.157  11.157
  518    HA   THR  75           HA       THR  75  -4.945  11.795  11.795
  519    HB   THR  75           HB       THR  75  -5.335  13.105  13.105
  520    HG1  THR  75          1HG       THR  75  -4.575  15.197  15.197
  521   1HG2  THR  75          2HG2      THR  75  -2.546  12.936  12.936
  522   2HG2  THR  75          1HG2      THR  75  -2.865  14.633  14.633
  523   3HG2  THR  75          3HG2      THR  75  -3.624  13.870  13.870
  524    H    ALA  76           H        ALA  76  -3.598  11.322  11.322
  525    HA   ALA  76           HA       ALA  76  -0.905  12.647  12.647
  526   1HB   ALA  76          1HB       ALA  76  -1.125  10.053  10.053
  527   2HB   ALA  76          3HB       ALA  76  -1.626  10.117  10.117
  528   3HB   ALA  76          2HB       ALA  76  -0.027  10.693  10.693
  529    H    GLU  77           H        GLU  77  -2.797  14.247  14.247
  530    HA   GLU  77           HA       GLU  77  -3.888  15.204  15.204
  531   1HB   GLU  77          2HB       GLU  77  -2.185  15.559  15.559
  532   2HB   GLU  77          1HB       GLU  77  -1.582  15.947  15.947
  533   1HG   GLU  77          2HG       GLU  77  -0.398  13.845  13.845
  534   2HG   GLU  77          1HG       GLU  77  -1.142  13.276  13.276
  535    H    LEU  78           H        LEU  78  -4.996  12.877  12.877
  536    HA   LEU  78           HA       LEU  78  -4.897  10.712  10.712
  537   1HB   LEU  78          2HB       LEU  78  -6.870  12.385  12.385
  538   2HB   LEU  78          1HB       LEU  78  -7.523  11.719  11.719
  539    HG   LEU  78           HG       LEU  78  -6.771   9.449   9.449
  540   1HD1  LEU  78          1HD1      LEU  78  -5.445  11.040  11.040
  541   2HD1  LEU  78          3HD1      LEU  78  -6.500   9.854   9.854
  542   3HD1  LEU  78          2HD1      LEU  78  -5.250   9.325   9.325
  543   1HD2  LEU  78          2HD2      LEU  78  -8.712  11.084  11.084
  544   2HD2  LEU  78          1HD2      LEU  78  -9.029   9.773   9.773
  545   3HD2  LEU  78          3HD2      LEU  78  -8.401   9.413   9.413
  546    H    LYS  79           H        LYS  79  -5.195  10.145  10.145
  547    HA   LYS  79           HA       LYS  79  -5.860  12.282  12.282
  548   1HB   LYS  79          2HB       LYS  79  -4.002  10.459  10.459
  549   2HB   LYS  79          1HB       LYS  79  -3.747  12.164  12.164
  550   1HG   LYS  79          2HG       LYS  79  -3.329  11.069  11.069
  551   2HG   LYS  79          1HG       LYS  79  -2.776   9.776   9.776
  552   1HD   LYS  79          2HD       LYS  79  -0.855  10.861  10.861
  553   2HD   LYS  79          1HD       LYS  79  -1.670  12.027  12.027
  554   1HE   LYS  79          2HE       LYS  79  -2.220  13.435  13.435
  555   2HE   LYS  79          1HE       LYS  79  -1.647  12.194  12.194
  556   1HZ   LYS  79          1HZ       LYS  79   0.278  12.835  12.835
  557   2HZ   LYS  79          3HZ       LYS  79  -0.110  14.177  14.177
  558   3HZ   LYS  79          2HZ       LYS  79   0.475  12.755  12.755
  559    HA   PRO  80           HA       PRO  80  -8.325   9.192   9.192
  560   1HB   PRO  80          2HB       PRO  80  -7.335   8.755   8.755
  561   2HB   PRO  80          1HB       PRO  80  -8.263  10.203  10.203
  562   1HG   PRO  80          2HG       PRO  80  -5.314   9.833   9.833
  563   2HG   PRO  80          1HG       PRO  80  -6.326  11.196  11.196
  564   1HD   PRO  80          2HD       PRO  80  -4.851  11.278  11.278
  565   2HD   PRO  80          1HD       PRO  80  -6.423  12.093  12.093
  566    H    ASN  81           H        ASN  81  -4.871   8.492   8.492
  567    HA   ASN  81           HA       ASN  81  -5.502   5.574   5.574
  568   1HB   ASN  81          2HB       ASN  81  -3.094   5.463   5.463
  569   2HB   ASN  81          1HB       ASN  81  -4.099   6.451   6.451
  570   1HD2  ASN  81          2HD2      ASN  81  -0.998   8.383   8.383
  571   2HD2  ASN  81          1HD2      ASN  81  -1.295   6.888   6.888
  572    H    SER  82           H        SER  82  -4.926   7.665   7.665
  573    HA   SER  82           HA       SER  82  -2.746   6.518   6.518
  574   1HB   SER  82          2HB       SER  82  -5.304   7.326   7.326
  575   2HB   SER  82          1HB       SER  82  -3.650   7.710   7.710
  576    HG   SER  82           HG       SER  82  -3.895   8.783   8.783
  577    H    ARG  83           H        ARG  83  -2.708   4.756   4.756
  578    HA   ARG  83           HA       ARG  83  -5.173   3.124   3.124
  579   1HB   ARG  83          2HB       ARG  83  -2.780   2.478   2.478
  580   2HB   ARG  83          1HB       ARG  83  -3.519   1.152   1.152
  581   1HG   ARG  83          2HG       ARG  83  -5.034   3.005   3.005
  582   2HG   ARG  83          1HG       ARG  83  -4.429   1.412   1.412
  583   1HD   ARG  83          2HD       ARG  83  -5.764   0.669   0.669
  584   2HD   ARG  83          1HD       ARG  83  -6.710   2.119   2.119
  585    HE   ARG  83           HE       ARG  83  -6.272  -0.174  -0.174
  586   1HH1  ARG  83          1HH2      ARG  83  -7.400   3.021   3.021
  587   2HH1  ARG  83          2HH2      ARG  83  -8.831   2.792   2.792
  588   1HH2  ARG  83          1HH1      ARG  83  -8.323  -0.610  -0.610
  589   2HH2  ARG  83          2HH1      ARG  83  -9.351   0.739   0.739
  590    H    LEU  84           H        LEU  84  -4.508   1.005   1.005
  591    HA   LEU  84           HA       LEU  84  -2.582   1.607   1.607
  592   1HB   LEU  84          2HB       LEU  84  -5.374   0.927   0.927
  593   2HB   LEU  84          1HB       LEU  84  -4.492  -0.491  -0.491
  594    HG   LEU  84           HG       LEU  84  -4.421   2.285   2.285
  595   1HD1  LEU  84          1HD1      LEU  84  -5.663  -0.316  -0.316
  596   2HD1  LEU  84          3HD1      LEU  84  -4.838   0.395   0.395
  597   3HD1  LEU  84          2HD1      LEU  84  -6.092   1.295   1.295
  598   1HD2  LEU  84          2HD2      LEU  84  -2.485   0.029   0.029
  599   2HD2  LEU  84          1HD2      LEU  84  -2.224   1.756   1.756
  600   3HD2  LEU  84          3HD2      LEU  84  -2.886   0.781   0.781
  601    H    SER  85           H        SER  85  -0.921   0.064   0.064
  602    HA   SER  85           HA       SER  85  -0.120  -1.591  -1.591
  603   1HB   SER  85          2HB       SER  85  -0.016  -2.436  -2.436
  604   2HB   SER  85          1HB       SER  85   1.128  -2.809  -2.809
  605    HG   SER  85           HG       SER  85   1.837  -0.761  -0.761
  606    H    CYS  86           H        CYS  86  -2.776  -2.258  -2.258
  607    HA   CYS  86           HA       CYS  86  -3.080  -4.989  -4.989
  608   1HB   CYS  86          2HB       CYS  86  -4.448  -3.901  -3.901
  609   2HB   CYS  86          1HB       CYS  86  -4.132  -5.575  -5.575
  610    H    GLN  87           H        GLN  87  -3.956  -2.927  -2.927
  611    HA   GLN  87           HA       GLN  87  -6.943  -3.209  -3.209
  612   1HB   GLN  87          2HB       GLN  87  -5.337  -0.964  -0.964
  613   2HB   GLN  87          1HB       GLN  87  -7.084  -1.010  -1.010
  614   1HG   GLN  87          2HG       GLN  87  -5.037  -1.037  -1.037
  615   2HG   GLN  87          1HG       GLN  87  -5.998   0.357   0.357
  616   1HE2  GLN  87          2HE2      GLN  87  -7.572  -1.882  -1.882
  617   2HE2  GLN  87          1HE2      GLN  87  -5.917  -1.655  -1.655
  618    H    ILE  88           H        ILE  88  -4.237  -2.607  -2.607
  619    HA   ILE  88           HA       ILE  88  -5.781  -3.353  -3.353
  620    HB   ILE  88           HB       ILE  88  -2.838  -3.097  -3.097
  621   1HG1  ILE  88          2HG1      ILE  88  -4.637  -0.863  -0.863
  622   2HG1  ILE  88          1HG1      ILE  88  -3.118  -1.416  -1.416
  623   1HG2  ILE  88          3HG2      ILE  88  -5.090  -2.872  -2.872
  624   2HG2  ILE  88          2HG2      ILE  88  -4.422  -1.245  -1.245
  625   3HG2  ILE  88          1HG2      ILE  88  -3.407  -2.575  -2.575
  626   1HD1  ILE  88          3HD1      ILE  88  -2.107  -0.757  -0.757
  627   2HD1  ILE  88          2HD1      ILE  88  -3.560   0.233   0.233
  628   3HD1  ILE  88          1HD1      ILE  88  -2.436   0.504   0.504
  629    H    ILE  89           H        ILE  89  -5.383  -5.114  -5.114
  630    HA   ILE  89           HA       ILE  89  -3.911  -7.392  -7.392
  631    HB   ILE  89           HB       ILE  89  -6.335  -7.123  -7.123
  632   1HG1  ILE  89          2HG1      ILE  89  -6.894  -7.070  -7.070
  633   2HG1  ILE  89          1HG1      ILE  89  -7.233  -8.719  -8.719
  634   1HG2  ILE  89          3HG2      ILE  89  -4.804  -8.861  -8.861
  635   2HG2  ILE  89          2HG2      ILE  89  -4.848  -9.684  -9.684
  636   3HG2  ILE  89          1HG2      ILE  89  -6.320  -9.534  -9.534
  637   1HD1  ILE  89          1HD1      ILE  89  -4.855  -9.291  -9.291
  638   2HD1  ILE  89          3HD1      ILE  89  -4.856  -7.720  -7.720
  639   3HD1  ILE  89          2HD1      ILE  89  -6.030  -8.950  -8.950
  640    H    MET  90           H        MET  90  -2.764  -8.783  -8.783
  641    HA   MET  90           HA       MET  90  -1.750  -7.142  -7.142
  642   1HB   MET  90          2HB       MET  90  -0.544  -8.529  -8.529
  643   2HB   MET  90          1HB       MET  90  -0.195  -9.482  -9.482
  644   1HG   MET  90          2HG       MET  90   1.496  -7.652  -7.652
  645   2HG   MET  90          1HG       MET  90   0.916  -7.668  -7.668
  646   1HE   MET  90          1HE       MET  90   0.072  -6.300  -6.300
  647   2HE   MET  90          3HE       MET  90  -1.385  -5.411  -5.411
  648   3HE   MET  90          2HE       MET  90   0.148  -4.560  -4.560
  649    H    THR  91           H        THR  91  -2.998  -7.757  -7.757
  650    HA   THR  91           HA       THR  91  -3.665 -10.619 -10.619
  651    HB   THR  91           HB       THR  91  -4.672  -9.371  -9.371
  652    HG1  THR  91          1HG       THR  91  -3.552  -7.425  -7.425
  653   1HG2  THR  91          2HG2      THR  91  -5.847 -10.437 -10.437
  654   2HG2  THR  91          1HG2      THR  91  -5.867  -8.820  -8.820
  655   3HG2  THR  91          3HG2      THR  91  -6.711  -9.131  -9.131
  656    HA   PRO  92           HA       PRO  92  -0.426 -11.346 -11.346
  657   1HB   PRO  92          2HB       PRO  92  -1.653 -12.883 -12.883
  658   2HB   PRO  92          1HB       PRO  92  -1.232 -13.483 -13.483
  659   1HG   PRO  92          2HG       PRO  92  -3.861 -12.612 -12.612
  660   2HG   PRO  92          1HG       PRO  92  -3.474 -13.897 -13.897
  661   1HD   PRO  92          2HD       PRO  92  -4.477 -11.438 -11.438
  662   2HD   PRO  92          1HD       PRO  92  -3.535 -12.485 -12.485
  663    H    GLU  93           H        GLU  93  -2.981  -9.349  -9.349
  664    HA   GLU  93           HA       GLU  93  -1.915  -8.712  -8.712
  665   1HB   GLU  93          2HB       GLU  93  -4.174  -7.491  -7.491
  666   2HB   GLU  93          1HB       GLU  93  -4.249  -9.251  -9.251
  667   1HG   GLU  93          2HG       GLU  93  -5.129  -9.255  -9.255
  668   2HG   GLU  93          1HG       GLU  93  -4.228  -7.820  -7.820
  669    H    LEU  94           H        LEU  94  -2.521  -7.475  -7.475
  670    HA   LEU  94           HA       LEU  94  -1.655  -4.729  -4.729
  671   1HB   LEU  94          2HB       LEU  94  -2.649  -5.813  -5.813
  672   2HB   LEU  94          1HB       LEU  94  -2.558  -4.126  -4.126
  673    HG   LEU  94           HG       LEU  94  -4.421  -6.275  -6.275
  674   1HD1  LEU  94          3HD1      LEU  94  -4.805  -3.422  -3.422
  675   2HD1  LEU  94          2HD1      LEU  94  -6.098  -4.524  -4.524
  676   3HD1  LEU  94          1HD1      LEU  94  -5.120  -4.874  -4.874
  677   1HD2  LEU  94          1HD2      LEU  94  -3.304  -5.122  -5.122
  678   2HD2  LEU  94          3HD2      LEU  94  -5.047  -4.840  -4.840
  679   3HD2  LEU  94          2HD2      LEU  94  -3.923  -3.590  -3.590
  680    H    ASP  95           H        ASP  95   0.400  -6.405  -6.405
  681    HA   ASP  95           HA       ASP  95   1.871  -6.406  -6.406
  682   1HB   ASP  95          2HB       ASP  95   2.446  -8.449  -8.449
  683   2HB   ASP  95          1HB       ASP  95   1.602  -8.131  -8.131
  684    H    GLY  96           H        GLY  96   3.818  -5.378  -5.378
  685   1HA   GLY  96          2HA       GLY  96   5.784  -4.149  -4.149
  686   2HA   GLY  96          1HA       GLY  96   4.822  -3.661  -3.661
  687    H    ILE  97           H        ILE  97   3.296  -3.720  -3.720
  688    HA   ILE  97           HA       ILE  97   2.638  -0.927  -0.927
  689    HB   ILE  97           HB       ILE  97   1.036  -2.557  -2.557
  690   1HG1  ILE  97          2HG1      ILE  97   1.301  -0.154  -0.154
  691   2HG1  ILE  97          1HG1      ILE  97   0.098  -1.296  -1.296
  692   1HG2  ILE  97          3HG2      ILE  97   3.175  -3.200  -3.200
  693   2HG2  ILE  97          2HG2      ILE  97   1.487  -3.579  -3.579
  694   3HG2  ILE  97          1HG2      ILE  97   2.291  -4.288  -4.288
  695   1HD1  ILE  97          3HD1      ILE  97   1.795  -2.070  -2.070
  696   2HD1  ILE  97          2HD1      ILE  97   2.827  -0.736  -0.736
  697   3HD1  ILE  97          1HD1      ILE  97   1.255  -0.408  -0.408
  698    H    VAL  98           H        VAL  98   3.837   0.687   0.687
  699    HA   VAL  98           HA       VAL  98   6.010   0.409   0.409
  700    HB   VAL  98           HB       VAL  98   4.809   2.859   2.859
  701   1HG1  VAL  98          2HG1      VAL  98   6.463   3.125   3.125
  702   2HG1  VAL  98          1HG1      VAL  98   7.659   2.339   2.339
  703   3HG1  VAL  98          3HG1      VAL  98   6.947   3.876   3.876
  704   1HG2  VAL  98          2HG2      VAL  98   5.400   1.074   1.074
  705   2HG2  VAL  98          1HG2      VAL  98   6.432   2.496   2.496
  706   3HG2  VAL  98          3HG2      VAL  98   7.039   1.049   1.049
  707    H    VAL  99           H        VAL  99   5.660   0.753   0.753
  708    HA   VAL  99           HA       VAL  99   3.061   2.004   2.004
  709    HB   VAL  99           HB       VAL  99   5.013   0.787   0.787
  710   1HG1  VAL  99          3HG1      VAL  99   2.141   1.369   1.369
  711   2HG1  VAL  99          2HG1      VAL  99   2.514  -0.218  -0.218
  712   3HG1  VAL  99          1HG1      VAL  99   3.210   1.244   1.244
  713   1HG2  VAL  99          3HG2      VAL  99   4.013  -0.603  -0.603
  714   2HG2  VAL  99          2HG2      VAL  99   5.071  -1.167  -1.167
  715   3HG2  VAL  99          1HG2      VAL  99   3.323  -1.281  -1.281
  716    H    ASP 100           H        ASP 100   3.498   2.992   2.992
  717    HA   ASP 100           HA       ASP 100   6.025   4.362   4.362
  718   1HB   ASP 100          2HB       ASP 100   3.535   5.822   5.822
  719   2HB   ASP 100          1HB       ASP 100   4.870   6.648   6.648
  720    H    VAL 101           H        VAL 101   6.317   4.891   4.891
  721    HA   VAL 101           HA       VAL 101   4.050   4.299   4.299
  722    HB   VAL 101           HB       VAL 101   7.001   4.842   4.842
  723   1HG1  VAL 101          1HG1      VAL 101   5.171   5.466   5.466
  724   2HG1  VAL 101          3HG1      VAL 101   5.293   3.733   3.733
  725   3HG1  VAL 101          2HG1      VAL 101   6.728   4.754   4.754
  726   1HG2  VAL 101          2HG2      VAL 101   6.091   2.627   2.627
  727   2HG2  VAL 101          1HG2      VAL 101   7.196   2.505   2.505
  728   3HG2  VAL 101          3HG2      VAL 101   5.459   2.310   2.310
  729    HA   PRO 102           HA       PRO 102   3.214   8.580   8.580
  730   1HB   PRO 102          2HB       PRO 102   1.412   8.410   8.410
  731   2HB   PRO 102          1HB       PRO 102   1.061   7.901   7.901
  732   1HG   PRO 102          2HG       PRO 102   1.675   6.271   6.271
  733   2HG   PRO 102          1HG       PRO 102   0.629   5.905   5.905
  734   1HD   PRO 102          2HD       PRO 102   3.205   4.937   4.937
  735   2HD   PRO 102          1HD       PRO 102   2.314   4.927   4.927
  736    H    ASP 103           H        ASP 103   4.904   9.815   9.815
  737    HA   ASP 103           HA       ASP 103   5.334   9.379   9.379
  738   1HB   ASP 103          2HB       ASP 103   7.057  10.351  10.351
  739   2HB   ASP 103          1HB       ASP 103   7.496  10.679  10.679
  740    H    ARG 104           H        ARG 104   3.386  10.780  10.780
  741    HA   ARG 104           HA       ARG 104   3.949  13.671  13.671
  742   1HB   ARG 104          2HB       ARG 104   1.265  13.068  13.068
  743   2HB   ARG 104          1HB       ARG 104   1.759  13.907  13.907
  744   1HG   ARG 104          2HG       ARG 104   0.869  12.118  12.118
  745   2HG   ARG 104          1HG       ARG 104   2.356  11.292  11.292
  746   1HD   ARG 104          2HD       ARG 104  -0.316  11.194  11.194
  747   2HD   ARG 104          1HD       ARG 104   0.645   9.842   9.842
  748    HE   ARG 104           HE       ARG 104   1.926  11.501  11.501
  749   1HH1  ARG 104          1HH1      ARG 104   1.575   8.435   8.435
  750   2HH1  ARG 104          2HH1      ARG 104   1.463   7.624   7.624
  751   1HH2  ARG 104          1HH2      ARG 104   1.206  10.553  10.553
  752   2HH2  ARG 104          2HH2      ARG 104   1.254   8.824   8.824
  753    H    GLN 105           H        GLN 105   5.145  14.257  14.257
  754    HA   GLN 105           HA       GLN 105   3.864  13.722  13.722
  755   1HB   GLN 105          2HB       GLN 105   6.170  12.708  12.708
  756   2HB   GLN 105          1HB       GLN 105   6.781  14.331  14.331
  757   1HG   GLN 105          2HG       GLN 105   5.666  14.168  14.168
  758   2HG   GLN 105          1HG       GLN 105   5.397  12.458  12.458
  759   1HE2  GLN 105          1HE2      GLN 105   8.045  12.460  12.460
  760   2HE2  GLN 105          2HE2      GLN 105   9.240  12.368  12.368
  761    H    TRP 106           H        TRP 106   3.610  16.049  16.049
  762    HA   TRP 106           HA       TRP 106   4.969  18.357  18.357
  763   1HB   TRP 106          2HB       TRP 106   2.612  17.653  17.653
  764   2HB   TRP 106          1HB       TRP 106   2.522  19.249  19.249
  765    HD1  TRP 106           HD       TRP 106   3.650  21.104  21.104
  766    HE1  TRP 106          1HE       TRP 106   5.490  21.246  21.246
  767    HE3  TRP 106          3HE       TRP 106   4.993  16.183  16.183
  768    HZ2  TRP 106          2HZ       TRP 106   7.295  19.502  19.502
  769    HZ3  TRP 106          3HZ       TRP 106   6.774  15.450  15.450
  770    HH2  TRP 106           HH       TRP 106   7.925  17.102  17.102

  Start of MODEL    9
    1   1H    SER   1          3HT       SER   1   3.104 -10.542 -10.542
    2   2H    SER   1          2HT       SER   1   2.134 -11.009 -11.009
    3   3H    SER   1          1HT       SER   1   3.798 -11.349 -11.349
    4    HA   SER   1           HA       SER   1   3.376  -9.470  -9.470
    5   1HB   SER   1          2HB       SER   1   1.525  -8.304  -8.304
    6   2HB   SER   1          1HB       SER   1   1.591  -8.925  -8.925
    7    HG   SER   1           HG       SER   1   2.757  -7.242  -7.242
    8    H    LYS   2           H        LYS   2   4.727  -7.516  -7.516
    9    HA   LYS   2           HA       LYS   2   7.046  -7.819  -7.819
   10   1HB   LYS   2          2HB       LYS   2   6.491  -6.954  -6.954
   11   2HB   LYS   2          1HB       LYS   2   7.210  -5.600  -5.600
   12   1HG   LYS   2          2HG       LYS   2   8.524  -8.179  -8.179
   13   2HG   LYS   2          1HG       LYS   2   8.636  -7.657  -7.657
   14   1HD   LYS   2          2HD       LYS   2   9.145  -5.318  -5.318
   15   2HD   LYS   2          1HD       LYS   2   9.902  -6.521  -6.521
   16   1HE   LYS   2          2HE       LYS   2  10.403  -6.870  -6.870
   17   2HE   LYS   2          1HE       LYS   2  11.169  -5.459  -5.459
   18   1HZ   LYS   2          1HZ       LYS   2  11.634  -7.196  -7.196
   19   2HZ   LYS   2          3HZ       LYS   2  11.511  -8.309  -8.309
   20   3HZ   LYS   2          2HZ       LYS   2  12.675  -7.072  -7.072
   21    H    VAL   3           H        VAL   3   6.417  -6.864  -6.864
   22    HA   VAL   3           HA       VAL   3   5.257  -4.124  -4.124
   23    HB   VAL   3           HB       VAL   3   5.213  -6.292  -6.292
   24   1HG1  VAL   3          3HG1      VAL   3   4.252  -3.420  -3.420
   25   2HG1  VAL   3          2HG1      VAL   3   3.869  -4.672  -4.672
   26   3HG1  VAL   3          1HG1      VAL   3   5.539  -4.143  -4.143
   27   1HG2  VAL   3          1HG2      VAL   3   3.570  -5.597  -5.597
   28   2HG2  VAL   3          3HG2      VAL   3   3.180  -6.723  -6.723
   29   3HG2  VAL   3          2HG2      VAL   3   2.723  -5.024  -5.024
   30    H    VAL   4           H        VAL   4   6.184  -2.455  -2.455
   31    HA   VAL   4           HA       VAL   4   8.772  -2.991  -2.991
   32    HB   VAL   4           HB       VAL   4   8.102  -1.115  -1.115
   33   1HG1  VAL   4          3HG1      VAL   4  10.371  -0.786  -0.786
   34   2HG1  VAL   4          2HG1      VAL   4  10.210   0.114   0.114
   35   3HG1  VAL   4          1HG1      VAL   4   9.021   0.327   0.327
   36   1HG2  VAL   4          2HG2      VAL   4  10.072  -3.268  -3.268
   37   2HG2  VAL   4          1HG2      VAL   4   9.202  -2.923  -2.923
   38   3HG2  VAL   4          3HG2      VAL   4  10.603  -1.950  -1.950
   39    H    TYR   5           H        TYR   5   8.791  -2.096  -2.096
   40    HA   TYR   5           HA       TYR   5   6.629  -0.190  -0.190
   41   1HB   TYR   5          2HB       TYR   5   8.540  -1.831  -1.831
   42   2HB   TYR   5          1HB       TYR   5   7.082  -1.010  -1.010
   43    HD1  TYR   5          2HD       TYR   5   4.929  -1.507  -1.507
   44    HD2  TYR   5          1HD       TYR   5   8.343  -4.127  -4.127
   45    HE1  TYR   5          2HE       TYR   5   3.534  -3.435  -3.435
   46    HE2  TYR   5          1HE       TYR   5   6.951  -5.958  -5.958
   47    HH   TYR   5           HH       TYR   5   4.974  -6.646  -6.646
   48    H    VAL   6           H        VAL   6   7.037   1.832   1.832
   49    HA   VAL   6           HA       VAL   6   9.932   2.605   2.605
   50    HB   VAL   6           HB       VAL   6   7.797   4.547   4.547
   51   1HG1  VAL   6          1HG1      VAL   6  10.137   5.239   5.239
   52   2HG1  VAL   6          3HG1      VAL   6  10.723   4.304   4.304
   53   3HG1  VAL   6          2HG1      VAL   6   9.670   5.694   5.694
   54   1HG2  VAL   6          2HG2      VAL   6   7.740   2.459   2.459
   55   2HG2  VAL   6          1HG2      VAL   6   8.025   3.992   3.992
   56   3HG2  VAL   6          3HG2      VAL   6   9.371   2.899   2.899
   57    H    SER   7           H        SER   7  10.383   3.583   3.583
   58    HA   SER   7           HA       SER   7   8.227   3.847   3.847
   59   1HB   SER   7          2HB       SER   7  10.202   4.635   4.635
   60   2HB   SER   7          1HB       SER   7  10.404   3.036   3.036
   61    HG   SER   7           HG       SER   7  11.354   5.481   5.481
   62    H    HIS   8           H        HIS   8   9.160   6.230   6.230
   63    HA   HIS   8           HA       HIS   8   8.289   8.260   8.260
   64   1HB   HIS   8          2HB       HIS   8   8.142   9.544   9.544
   65   2HB   HIS   8          1HB       HIS   8   6.813   8.650   8.650
   66    HD1  HIS   8          1HD       HIS   8   5.759   7.234   7.234
   67    HD2  HIS   8          2HD       HIS   8   9.864   7.433   7.433
   68    HE1  HIS   8          1HE       HIS   8   6.237   5.759   5.759
   69    H    ASP   9           H        ASP   9  11.016   7.062   7.062
   70    HA   ASP   9           HA       ASP   9  12.463   9.668   9.668
   71   1HB   ASP   9          2HB       ASP   9  14.171   8.362   8.362
   72   2HB   ASP   9          1HB       ASP   9  12.592   8.164   8.164
   73    H    GLY  10           H        GLY  10  11.700   7.274   7.274
   74   1HA   GLY  10          2HA       GLY  10  12.678   7.437   7.437
   75   2HA   GLY  10          1HA       GLY  10  14.248   7.682   7.682
   76    H    THR  11           H        THR  11  13.493   5.489   5.489
   77    HA   THR  11           HA       THR  11  14.879   3.343   3.343
   78    HB   THR  11           HB       THR  11  13.428   3.996   3.996
   79    HG1  THR  11          1HG       THR  11  14.974   1.728   1.728
   80   1HG2  THR  11          1HG2      THR  11  11.615   2.519   2.519
   81   2HG2  THR  11          3HG2      THR  11  12.722   1.177   1.177
   82   3HG2  THR  11          2HG2      THR  11  12.103   2.117   2.117
   83    H    ARG  12           H        ARG  12  14.358   1.722   1.722
   84    HA   ARG  12           HA       ARG  12  11.530   1.489   1.489
   85   1HB   ARG  12          2HB       ARG  12  13.982   2.236   2.236
   86   2HB   ARG  12          1HB       ARG  12  13.264   0.810   0.810
   87   1HG   ARG  12          2HG       ARG  12  11.061   2.406   2.406
   88   2HG   ARG  12          1HG       ARG  12  12.304   3.587   3.587
   89   1HD   ARG  12          2HD       ARG  12  12.749   1.600   1.600
   90   2HD   ARG  12          1HD       ARG  12  10.980   1.609   1.609
   91    HE   ARG  12           HE       ARG  12  11.710   4.304   4.304
   92   1HH1  ARG  12          1HH2      ARG  12  10.897   1.795   1.795
   93   2HH1  ARG  12          2HH2      ARG  12  11.462   2.561   2.561
   94   1HH2  ARG  12          1HH1      ARG  12  12.977   5.196   5.196
   95   2HH2  ARG  12          2HH1      ARG  12  12.640   4.486   4.486
   96    H    ARG  13           H        ARG  13  10.863  -0.627  -0.627
   97    HA   ARG  13           HA       ARG  13  12.787  -2.875  -2.875
   98   1HB   ARG  13          2HB       ARG  13  11.203  -2.118  -2.118
   99   2HB   ARG  13          1HB       ARG  13   9.979  -2.995  -2.995
  100   1HG   ARG  13          2HG       ARG  13  10.759  -4.932  -4.932
  101   2HG   ARG  13          1HG       ARG  13  12.316  -4.615  -4.615
  102   1HD   ARG  13          2HD       ARG  13  12.332  -4.958  -4.958
  103   2HD   ARG  13          1HD       ARG  13  13.164  -3.514  -3.514
  104    HE   ARG  13           HE       ARG  13  10.370  -2.956  -2.956
  105   1HH1  ARG  13          1HH1      ARG  13  13.091  -3.921  -3.921
  106   2HH1  ARG  13          2HH1      ARG  13  12.860  -2.732  -2.732
  107   1HH2  ARG  13          1HH2      ARG  13  10.197  -1.195  -1.195
  108   2HH2  ARG  13          2HH2      ARG  13  11.222  -1.188  -1.188
  109    H    GLU  14           H        GLU  14  12.076  -4.860  -4.860
  110    HA   GLU  14           HA       GLU  14   9.840  -4.429  -4.429
  111   1HB   GLU  14          2HB       GLU  14  12.479  -5.826  -5.826
  112   2HB   GLU  14          1HB       GLU  14  11.258  -5.355  -5.355
  113   1HG   GLU  14          2HG       GLU  14  11.750  -2.957  -2.957
  114   2HG   GLU  14          1HG       GLU  14  13.339  -3.717  -3.717
  115    H    LEU  15           H        LEU  15   8.351  -6.111  -6.111
  116    HA   LEU  15           HA       LEU  15   9.274  -8.712  -8.712
  117   1HB   LEU  15          2HB       LEU  15   6.756  -7.082  -7.082
  118   2HB   LEU  15          1HB       LEU  15   6.681  -8.819  -8.819
  119    HG   LEU  15           HG       LEU  15   8.421  -6.892  -6.892
  120   1HD1  LEU  15          3HD1      LEU  15   5.713  -7.958  -7.958
  121   2HD1  LEU  15          2HD1      LEU  15   6.761  -8.366  -8.366
  122   3HD1  LEU  15          1HD1      LEU  15   6.518  -6.683  -6.683
  123   1HD2  LEU  15          1HD2      LEU  15   9.352  -9.196  -9.196
  124   2HD2  LEU  15          3HD2      LEU  15   9.040  -8.747  -8.747
  125   3HD2  LEU  15          2HD2      LEU  15   7.902  -9.809  -9.809
  126    H    ASP  16           H        ASP  16   7.253 -10.288 -10.288
  127    HA   ASP  16           HA       ASP  16   6.634 -10.162 -10.162
  128   1HB   ASP  16          2HB       ASP  16   8.610 -11.668 -11.668
  129   2HB   ASP  16          1HB       ASP  16   7.489 -12.629 -12.629
  130    H    VAL  17           H        VAL  17   4.567  -9.364  -9.364
  131    HA   VAL  17           HA       VAL  17   3.040 -11.285 -11.285
  132    HB   VAL  17           HB       VAL  17   2.445  -8.468  -8.468
  133   1HG1  VAL  17          2HG1      VAL  17   0.548 -10.003 -10.003
  134   2HG1  VAL  17          1HG1      VAL  17   1.328  -9.859  -9.859
  135   3HG1  VAL  17          3HG1      VAL  17   0.719  -8.421  -8.421
  136   1HG2  VAL  17          3HG2      VAL  17   4.179  -9.551  -9.551
  137   2HG2  VAL  17          2HG2      VAL  17   4.184  -7.957  -7.957
  138   3HG2  VAL  17          1HG2      VAL  17   3.049  -8.315  -8.315
  139    H    ALA  18           H        ALA  18   1.473 -12.545 -12.545
  140    HA   ALA  18           HA       ALA  18   0.688 -12.071 -12.071
  141   1HB   ALA  18          1HB       ALA  18   0.736 -14.523 -14.523
  142   2HB   ALA  18          3HB       ALA  18   0.162 -14.524 -14.524
  143   3HB   ALA  18          2HB       ALA  18   1.852 -14.155 -14.155
  144    H    ASP  19           H        ASP  19  -1.515 -13.775 -13.775
  145    HA   ASP  19           HA       ASP  19  -3.632 -12.080 -12.080
  146   1HB   ASP  19          2HB       ASP  19  -4.946 -13.582 -13.582
  147   2HB   ASP  19          1HB       ASP  19  -3.366 -13.764 -13.764
  148    H    GLY  20           H        GLY  20  -4.450 -12.056 -12.056
  149   1HA   GLY  20          2HA       GLY  20  -5.571 -13.319 -13.319
  150   2HA   GLY  20          1HA       GLY  20  -4.313 -14.544 -14.544
  151    H    VAL  21           H        VAL  21  -2.431 -12.011 -12.011
  152    HA   VAL  21           HA       VAL  21  -2.054 -11.703 -11.703
  153    HB   VAL  21           HB       VAL  21  -0.103 -11.171 -11.171
  154   1HG1  VAL  21          3HG1      VAL  21   0.189 -11.477 -11.477
  155   2HG1  VAL  21          2HG1      VAL  21   1.550 -11.396 -11.396
  156   3HG1  VAL  21          1HG1      VAL  21   0.465 -10.016 -10.016
  157   1HG2  VAL  21          2HG2      VAL  21  -0.963 -13.687 -13.687
  158   2HG2  VAL  21          1HG2      VAL  21  -0.018 -13.432 -13.432
  159   3HG2  VAL  21          3HG2      VAL  21   0.780 -13.416 -13.416
  160    H    SER  22           H        SER  22  -1.155  -9.581  -9.581
  161    HA   SER  22           HA       SER  22  -2.284  -7.315  -7.315
  162   1HB   SER  22          2HB       SER  22  -2.027  -6.665  -6.665
  163   2HB   SER  22          1HB       SER  22  -3.514  -6.881  -6.881
  164    HG   SER  22           HG       SER  22  -3.636  -8.432  -8.432
  165    H    LEU  23           H        LEU  23  -0.926  -5.326  -5.326
  166    HA   LEU  23           HA       LEU  23   1.860  -5.645  -5.645
  167   1HB   LEU  23          2HB       LEU  23   0.339  -3.266  -3.266
  168   2HB   LEU  23          1HB       LEU  23   1.937  -3.212  -3.212
  169    HG   LEU  23           HG       LEU  23  -0.691  -3.739  -3.739
  170   1HD1  LEU  23          3HD1      LEU  23   0.504  -1.406  -1.406
  171   2HD1  LEU  23          2HD1      LEU  23   1.478  -1.924  -1.924
  172   3HD1  LEU  23          1HD1      LEU  23  -0.271  -1.768  -1.768
  173   1HD2  LEU  23          3HD2      LEU  23   0.997  -5.436  -5.436
  174   2HD2  LEU  23          2HD2      LEU  23   0.565  -4.320  -4.320
  175   3HD2  LEU  23          1HD2      LEU  23   2.089  -4.119  -4.119
  176    H    MET  24           H        MET  24  -0.224  -5.451  -5.451
  177    HA   MET  24           HA       MET  24   1.791  -5.002  -5.002
  178   1HB   MET  24          2HB       MET  24  -0.384  -4.464  -4.464
  179   2HB   MET  24          1HB       MET  24  -1.065  -5.892  -5.892
  180   1HG   MET  24          2HG       MET  24  -0.199  -7.310  -7.310
  181   2HG   MET  24          1HG       MET  24   0.746  -5.982  -5.982
  182   1HE   MET  24          3HE       MET  24   0.414  -4.963  -4.963
  183   2HE   MET  24          2HE       MET  24  -1.046  -4.389  -4.389
  184   3HE   MET  24          1HE       MET  24  -0.505  -6.052  -6.052
  185    H    GLN  25           H        GLN  25  -0.203  -7.815  -7.815
  186    HA   GLN  25           HA       GLN  25   0.924  -9.716  -9.716
  187   1HB   GLN  25          2HB       GLN  25  -0.969  -9.789  -9.789
  188   2HB   GLN  25          1HB       GLN  25   0.195  -9.944  -9.944
  189   1HG   GLN  25          2HG       GLN  25   0.761 -12.123 -12.123
  190   2HG   GLN  25          1HG       GLN  25   0.304 -11.890 -11.890
  191   1HE2  GLN  25          1HE2      GLN  25  -2.058 -10.594 -10.594
  192   2HE2  GLN  25          2HE2      GLN  25  -3.150 -11.890 -11.890
  193    H    ALA  26           H        ALA  26   2.012  -9.763  -9.763
  194    HA   ALA  26           HA       ALA  26   4.282 -11.330 -11.330
  195   1HB   ALA  26          2HB       ALA  26   3.763  -8.871  -8.871
  196   2HB   ALA  26          1HB       ALA  26   5.293  -9.777  -9.777
  197   3HB   ALA  26          3HB       ALA  26   3.743 -10.572 -10.572
  198    H    ALA  27           H        ALA  27   4.273  -7.771  -7.771
  199    HA   ALA  27           HA       ALA  27   6.924  -7.368  -7.368
  200   1HB   ALA  27          1HB       ALA  27   4.270  -5.981  -5.981
  201   2HB   ALA  27          3HB       ALA  27   5.720  -5.266  -5.266
  202   3HB   ALA  27          2HB       ALA  27   5.615  -5.540  -5.540
  203    H    VAL  28           H        VAL  28   3.958  -7.313  -7.313
  204    HA   VAL  28           HA       VAL  28   4.690  -7.230  -7.230
  205    HB   VAL  28           HB       VAL  28   2.742  -8.622  -8.622
  206   1HG1  VAL  28          1HG1      VAL  28   3.562  -9.813  -9.813
  207   2HG1  VAL  28          3HG1      VAL  28   1.828  -9.639  -9.639
  208   3HG1  VAL  28          2HG1      VAL  28   2.808 -10.582 -10.582
  209   1HG2  VAL  28          2HG2      VAL  28   2.471  -6.398  -6.398
  210   2HG2  VAL  28          1HG2      VAL  28   1.151  -7.551  -7.551
  211   3HG2  VAL  28          3HG2      VAL  28   2.323  -7.288  -7.288
  212    H    SER  29           H        SER  29   4.443 -10.401 -10.401
  213    HA   SER  29           HA       SER  29   5.897 -11.983 -11.983
  214   1HB   SER  29          2HB       SER  29   6.523 -12.691 -12.691
  215   2HB   SER  29          1HB       SER  29   5.335 -13.444 -13.444
  216    HG   SER  29           HG       SER  29   4.872 -12.050 -12.050
  217    H    ASN  30           H        ASN  30   7.084 -10.348 -10.348
  218    HA   ASN  30           HA       ASN  30   9.853 -10.930 -10.930
  219   1HB   ASN  30          2HB       ASN  30   8.061  -9.082  -9.082
  220   2HB   ASN  30          1HB       ASN  30   9.724  -8.521  -8.521
  221   1HD2  ASN  30          2HD2      ASN  30   8.857 -11.514 -11.514
  222   2HD2  ASN  30          1HD2      ASN  30   7.651 -10.691 -10.691
  223    H    GLY  31           H        GLY  31   7.827  -9.033  -9.033
  224   1HA   GLY  31          2HA       GLY  31   8.469  -7.816  -7.816
  225   2HA   GLY  31          1HA       GLY  31  10.153  -7.914  -7.914
  226    H    ILE  32           H        ILE  32   8.779  -6.981  -6.981
  227    HA   ILE  32           HA       ILE  32   9.682  -4.367  -4.367
  228    HB   ILE  32           HB       ILE  32   7.309  -5.814  -5.814
  229   1HG1  ILE  32          2HG1      ILE  32   9.926  -4.872  -4.872
  230   2HG1  ILE  32          1HG1      ILE  32   9.579  -6.521  -6.521
  231   1HG2  ILE  32          3HG2      ILE  32   8.259  -3.005  -3.005
  232   2HG2  ILE  32          2HG2      ILE  32   7.206  -3.935  -3.935
  233   3HG2  ILE  32          1HG2      ILE  32   6.652  -3.488  -3.488
  234   1HD1  ILE  32          1HD1      ILE  32   7.448  -5.642  -5.642
  235   2HD1  ILE  32          3HD1      ILE  32   8.971  -5.324  -5.324
  236   3HD1  ILE  32          2HD1      ILE  32   8.588  -6.957  -6.957
  237    H    TYR  33           H        TYR  33   6.652  -5.562  -5.562
  238    HA   TYR  33           HA       TYR  33   5.955  -2.793  -2.793
  239   1HB   TYR  33          2HB       TYR  33   4.484  -5.392  -5.392
  240   2HB   TYR  33          1HB       TYR  33   3.794  -4.070  -4.070
  241    HD1  TYR  33          1HD       TYR  33   3.635  -1.759  -1.759
  242    HD2  TYR  33          2HD       TYR  33   4.389  -5.398  -5.398
  243    HE1  TYR  33          1HE       TYR  33   2.902  -0.666  -0.666
  244    HE2  TYR  33          2HE       TYR  33   3.646  -4.345  -4.345
  245    HH   TYR  33           HH       TYR  33   2.164  -2.400  -2.400
  246    H    ASP  34           H        ASP  34   7.928  -3.391  -3.391
  247    HA   ASP  34           HA       ASP  34   7.257  -5.085  -5.085
  248   1HB   ASP  34          2HB       ASP  34   9.246  -4.079  -4.079
  249   2HB   ASP  34          1HB       ASP  34   9.554  -4.295  -4.295
  250    H    ILE  35           H        ILE  35   4.993  -3.626  -3.626
  251    HA   ILE  35           HA       ILE  35   4.915  -1.339  -1.339
  252    HB   ILE  35           HB       ILE  35   2.969  -0.698  -0.698
  253   1HG1  ILE  35          2HG1      ILE  35   3.063  -3.569  -3.569
  254   2HG1  ILE  35          1HG1      ILE  35   1.741  -2.739  -2.739
  255   1HG2  ILE  35          1HG2      ILE  35   5.071  -1.933  -1.933
  256   2HG2  ILE  35          3HG2      ILE  35   3.812  -0.834  -0.834
  257   3HG2  ILE  35          2HG2      ILE  35   5.022  -0.271  -0.271
  258   1HD1  ILE  35          1HD1      ILE  35   1.539  -1.232  -1.232
  259   2HD1  ILE  35          3HD1      ILE  35   2.732  -2.241  -2.241
  260   3HD1  ILE  35          2HD1      ILE  35   1.177  -2.924  -2.924
  261    H    VAL  36           H        VAL  36   1.961  -1.714  -1.714
  262    HA   VAL  36           HA       VAL  36   1.958  -3.773  -3.773
  263    HB   VAL  36           HB       VAL  36  -0.189  -1.780  -1.780
  264   1HG1  VAL  36          3HG1      VAL  36   0.492  -3.393  -3.393
  265   2HG1  VAL  36          2HG1      VAL  36  -0.513  -1.948  -1.948
  266   3HG1  VAL  36          1HG1      VAL  36  -1.039  -3.316  -3.316
  267   1HG2  VAL  36          2HG2      VAL  36   2.471  -1.351  -1.351
  268   2HG2  VAL  36          1HG2      VAL  36   1.358  -0.183  -0.183
  269   3HG2  VAL  36          3HG2      VAL  36   1.150  -0.689  -0.689
  270    H    GLY  37           H        GLY  37  -0.293  -4.975  -4.975
  271   1HA   GLY  37          2HA       GLY  37  -1.020  -5.848  -5.848
  272   2HA   GLY  37          1HA       GLY  37  -0.921  -6.971  -6.971
  273    H    ASP  38           H        ASP  38  -2.784  -4.297  -4.297
  274    HA   ASP  38           HA       ASP  38  -5.030  -5.032  -5.032
  275   1HB   ASP  38          2HB       ASP  38  -3.734  -2.530  -2.530
  276   2HB   ASP  38          1HB       ASP  38  -5.472  -2.467  -2.467
  277    H    CYS  39           H        CYS  39  -4.058  -5.521  -5.521
  278    HA   CYS  39           HA       CYS  39  -6.785  -5.057  -5.057
  279   1HB   CYS  39          2HB       CYS  39  -5.428  -5.439  -5.439
  280   2HB   CYS  39          1HB       CYS  39  -5.258  -3.898  -3.898
  281    H    GLY  40           H        GLY  40  -4.093  -7.445  -7.445
  282   1HA   GLY  40          2HA       GLY  40  -4.215  -9.739  -9.739
  283   2HA   GLY  40          1HA       GLY  40  -5.569  -9.746  -9.746
  284    H    GLY  41           H        GLY  41  -5.313  -7.970  -7.970
  285   1HA   GLY  41          2HA       GLY  41  -6.501  -8.260  -8.260
  286   2HA   GLY  41          1HA       GLY  41  -7.173  -9.763  -9.763
  287    H    SER  42           H        SER  42  -7.239  -6.542  -6.542
  288    HA   SER  42           HA       SER  42 -10.216  -6.558  -6.558
  289   1HB   SER  42          2HB       SER  42  -9.494  -7.356  -7.356
  290   2HB   SER  42          1HB       SER  42  -8.555  -5.883  -5.883
  291    HG   SER  42           HG       SER  42 -10.471  -5.462  -5.462
  292    H    ALA  43           H        ALA  43  -7.280  -4.612  -4.612
  293    HA   ALA  43           HA       ALA  43  -6.842  -2.424  -2.424
  294   1HB   ALA  43          3HB       ALA  43  -8.606  -3.284  -3.284
  295   2HB   ALA  43          2HB       ALA  43  -9.712  -2.228  -2.228
  296   3HB   ALA  43          1HB       ALA  43  -8.278  -1.555  -1.555
  297    H    SER  44           H        SER  44  -7.111  -2.451  -2.451
  298    HA   SER  44           HA       SER  44  -8.980  -0.195  -0.195
  299   1HB   SER  44          2HB       SER  44  -8.820  -1.572  -1.572
  300   2HB   SER  44          1HB       SER  44 -10.065  -1.873  -1.873
  301    HG   SER  44           HG       SER  44  -9.123  -3.698  -3.698
  302    H    CYS  45           H        CYS  45  -5.850  -0.929  -0.929
  303    HA   CYS  45           HA       CYS  45  -4.890   0.522   0.522
  304   1HB   CYS  45          2HB       CYS  45  -2.735  -0.705  -0.705
  305   2HB   CYS  45          1HB       CYS  45  -3.346  -1.095  -1.095
  306    H    ALA  46           H        ALA  46  -4.385   2.597   2.597
  307    HA   ALA  46           HA       ALA  46  -3.853   3.680   3.680
  308   1HB   ALA  46          3HB       ALA  46  -4.679   4.594   4.594
  309   2HB   ALA  46          2HB       ALA  46  -3.062   5.276   5.276
  310   3HB   ALA  46          1HB       ALA  46  -4.294   5.614   5.614
  311    H    THR  47           H        THR  47  -1.997   1.810   1.810
  312    HA   THR  47           HA       THR  47   0.558   3.236   3.236
  313    HB   THR  47           HB       THR  47  -0.240   1.737   1.737
  314    HG1  THR  47          1HG       THR  47   1.810   1.716   1.716
  315   1HG2  THR  47          1HG2      THR  47  -1.040  -0.016  -0.016
  316   2HG2  THR  47          3HG2      THR  47   0.645  -0.535  -0.535
  317   3HG2  THR  47          2HG2      THR  47  -0.280  -0.596  -0.596
  318    H    CYS  48           H        CYS  48  -1.120   0.577   0.577
  319    HA   CYS  48           HA       CYS  48   1.265  -0.016  -0.016
  320   1HB   CYS  48          2HB       CYS  48  -1.283  -1.268  -1.268
  321   2HB   CYS  48          1HB       CYS  48   0.254  -1.983  -1.983
  322    H    HIS  49           H        HIS  49  -0.669   2.538   2.538
  323    HA   HIS  49           HA       HIS  49  -1.959   2.753   2.753
  324   1HB   HIS  49          2HB       HIS  49  -1.749   4.456   4.456
  325   2HB   HIS  49          1HB       HIS  49  -0.199   4.909   4.909
  326    HD1  HIS  49          1HD       HIS  49  -1.398   7.283   7.283
  327    HD2  HIS  49          2HD       HIS  49  -2.887   3.986   3.986
  328    HE1  HIS  49          1HE       HIS  49  -2.762   8.191   8.191
  329    H    VAL  50           H        VAL  50  -1.245   3.448   3.448
  330    HA   VAL  50           HA       VAL  50   1.646   3.657   3.657
  331    HB   VAL  50           HB       VAL  50   1.472   1.776   1.776
  332   1HG1  VAL  50          1HG1      VAL  50   2.283   1.703   1.703
  333   2HG1  VAL  50          3HG1      VAL  50   0.895   0.628   0.628
  334   3HG1  VAL  50          2HG1      VAL  50   2.183   0.234   0.234
  335   1HG2  VAL  50          2HG2      VAL  50  -1.070   1.867   1.867
  336   2HG2  VAL  50          1HG2      VAL  50  -0.362   0.254   0.254
  337   3HG2  VAL  50          3HG2      VAL  50  -0.983   1.019   1.019
  338    H    TYR  51           H        TYR  51   2.044   4.271   4.271
  339    HA   TYR  51           HA       TYR  51  -0.319   5.500   5.500
  340   1HB   TYR  51          2HB       TYR  51   2.460   6.378   6.378
  341   2HB   TYR  51          1HB       TYR  51   1.706   7.038   7.038
  342    HD1  TYR  51          2HD       TYR  51  -0.979   6.333   6.333
  343    HD2  TYR  51          1HD       TYR  51   2.312   9.086   9.086
  344    HE1  TYR  51          2HE       TYR  51  -2.231   8.023   8.023
  345    HE2  TYR  51          1HE       TYR  51   1.038  10.772  10.772
  346    HH   TYR  51           HH       TYR  51  -1.365  11.269  11.269
  347    H    VAL  52           H        VAL  52  -0.682   4.425   4.425
  348    HA   VAL  52           HA       VAL  52   1.564   2.941   2.941
  349    HB   VAL  52           HB       VAL  52  -1.416   2.957   2.957
  350   1HG1  VAL  52          1HG1      VAL  52   0.339   2.050   2.050
  351   2HG1  VAL  52          3HG1      VAL  52   0.518   0.720   0.720
  352   3HG1  VAL  52          2HG1      VAL  52  -1.049   1.037   1.037
  353   1HG2  VAL  52          1HG2      VAL  52   0.077   1.906   1.906
  354   2HG2  VAL  52          3HG2      VAL  52  -1.658   1.815   1.815
  355   3HG2  VAL  52          2HG2      VAL  52  -0.584   0.569   0.569
  356    H    ASN  53           H        ASN  53   1.995   3.266   3.266
  357    HA   ASN  53           HA       ASN  53   1.654   6.040   6.040
  358   1HB   ASN  53          2HB       ASN  53   2.760   5.144   5.144
  359   2HB   ASN  53          1HB       ASN  53   3.669   4.844   4.844
  360   1HD2  ASN  53          2HD2      ASN  53   1.801   1.401   1.401
  361   2HD2  ASN  53          1HD2      ASN  53   1.013   2.741   2.741
  362    H    GLU  54           H        GLU  54   0.007   6.837   6.837
  363    HA   GLU  54           HA       GLU  54  -2.474   5.787   5.787
  364   1HB   GLU  54          2HB       GLU  54  -2.520   7.229   7.229
  365   2HB   GLU  54          1HB       GLU  54  -1.934   8.030   8.030
  366   1HG   GLU  54          2HG       GLU  54   0.241   8.119   8.119
  367   2HG   GLU  54          1HG       GLU  54   0.086   6.636   6.636
  368    H    ALA  55           H        ALA  55   0.368   4.825   4.825
  369    HA   ALA  55           HA       ALA  55  -0.931   3.572   3.572
  370   1HB   ALA  55          3HB       ALA  55   1.678   3.091   3.091
  371   2HB   ALA  55          2HB       ALA  55   1.266   2.290   2.290
  372   3HB   ALA  55          1HB       ALA  55   1.425   4.046   4.046
  373    H    PHE  56           H        PHE  56  -0.523   2.490   2.490
  374    HA   PHE  56           HA       PHE  56  -1.752  -0.131  -0.131
  375   1HB   PHE  56          2HB       PHE  56   0.268   0.557   0.557
  376   2HB   PHE  56          1HB       PHE  56  -0.454  -1.034  -1.034
  377    HD1  PHE  56          1HD       PHE  56   1.416   1.599   1.599
  378    HD2  PHE  56          2HD       PHE  56   0.546  -2.631  -2.631
  379    HE1  PHE  56          1HE       PHE  56   3.005   1.144   1.144
  380    HE2  PHE  56          2HE       PHE  56   2.138  -3.037  -3.037
  381    HZ   PHE  56           HZ       PHE  56   3.367  -1.173  -1.173
  382    H    THR  57           H        THR  57  -2.144   2.728   2.728
  383    HA   THR  57           HA       THR  57  -3.820   1.539   1.539
  384    HB   THR  57           HB       THR  57  -3.833   3.679   3.679
  385    HG1  THR  57          1HG       THR  57  -3.879   4.646   4.646
  386   1HG2  THR  57          1HG2      THR  57  -1.435   3.075   3.075
  387   2HG2  THR  57          3HG2      THR  57  -1.795   4.682   4.682
  388   3HG2  THR  57          2HG2      THR  57  -1.699   4.417   4.417
  389    H    ASP  58           H        ASP  58  -4.225   2.980   2.980
  390    HA   ASP  58           HA       ASP  58  -7.112   3.329   3.329
  391   1HB   ASP  58          2HB       ASP  58  -6.862   4.011   4.011
  392   2HB   ASP  58          1HB       ASP  58  -5.375   4.521   4.521
  393    H    LYS  59           H        LYS  59  -4.919   0.759   0.759
  394    HA   LYS  59           HA       LYS  59  -6.934  -0.864  -0.864
  395   1HB   LYS  59          2HB       LYS  59  -4.161  -1.439  -1.439
  396   2HB   LYS  59          1HB       LYS  59  -5.060  -2.493  -2.493
  397   1HG   LYS  59          2HG       LYS  59  -4.350   0.380   0.380
  398   2HG   LYS  59          1HG       LYS  59  -3.389  -1.006  -1.006
  399   1HD   LYS  59          2HD       LYS  59  -5.881  -1.789  -1.789
  400   2HD   LYS  59          1HD       LYS  59  -5.995  -0.041  -0.041
  401   1HE   LYS  59          2HE       LYS  59  -3.874  -1.869  -1.869
  402   2HE   LYS  59          1HE       LYS  59  -5.140  -0.992  -0.992
  403   1HZ   LYS  59          2HZ       LYS  59  -4.225   1.068   1.068
  404   2HZ   LYS  59          1HZ       LYS  59  -2.870   0.138   0.138
  405   3HZ   LYS  59          3HZ       LYS  59  -3.247   0.382   0.382
  406    H    VAL  60           H        VAL  60  -5.129  -1.168  -1.168
  407    HA   VAL  60           HA       VAL  60  -6.177  -3.425  -3.425
  408    HB   VAL  60           HB       VAL  60  -6.034  -2.025  -2.025
  409   1HG1  VAL  60          1HG1      VAL  60  -3.913  -2.496  -2.496
  410   2HG1  VAL  60          3HG1      VAL  60  -3.506  -1.410  -1.410
  411   3HG1  VAL  60          2HG1      VAL  60  -4.026  -3.060  -3.060
  412   1HG2  VAL  60          3HG2      VAL  60  -6.676   0.105   0.105
  413   2HG2  VAL  60          2HG2      VAL  60  -5.232   0.234   0.234
  414   3HG2  VAL  60          1HG2      VAL  60  -5.078   0.087   0.087
  415    HA   PRO  61           HA       PRO  61 -10.536  -2.963  -2.963
  416   1HB   PRO  61          2HB       PRO  61 -10.948  -4.311  -4.311
  417   2HB   PRO  61          1HB       PRO  61 -10.608  -5.117  -5.117
  418   1HG   PRO  61          2HG       PRO  61  -8.750  -4.479  -4.479
  419   2HG   PRO  61          1HG       PRO  61  -8.875  -5.960  -5.960
  420   1HD   PRO  61          2HD       PRO  61  -6.957  -4.128  -4.128
  421   2HD   PRO  61          1HD       PRO  61  -7.708  -5.054  -5.054
  422    H    ALA  62           H        ALA  62 -12.175  -2.179  -2.179
  423    HA   ALA  62           HA       ALA  62 -11.343   0.301   0.301
  424   1HB   ALA  62          1HB       ALA  62 -13.517  -0.790  -0.790
  425   2HB   ALA  62          3HB       ALA  62 -14.100  -0.618  -0.618
  426   3HB   ALA  62          2HB       ALA  62 -13.486   0.791   0.791
  427    H    ALA  63           H        ALA  63 -10.850   0.476   0.476
  428    HA   ALA  63           HA       ALA  63 -10.981  -1.729  -1.729
  429   1HB   ALA  63          2HB       ALA  63 -10.526   1.256   1.256
  430   2HB   ALA  63          1HB       ALA  63 -10.262   0.090   0.090
  431   3HB   ALA  63          3HB       ALA  63  -9.287   0.011   0.011
  432    H    ASN  64           H        ASN  64 -12.145  -1.420  -1.420
  433    HA   ASN  64           HA       ASN  64 -14.980  -0.724  -0.724
  434   1HB   ASN  64          2HB       ASN  64 -15.292  -1.981  -1.981
  435   2HB   ASN  64          1HB       ASN  64 -14.517  -2.921  -2.921
  436   1HD2  ASN  64          2HD2      ASN  64 -12.302  -3.583  -3.583
  437   2HD2  ASN  64          1HD2      ASN  64 -13.769  -4.118  -4.118
  438    H    GLU  65           H        GLU  65 -15.830  -0.258  -0.258
  439    HA   GLU  65           HA       GLU  65 -15.219   2.557   2.557
  440   1HB   GLU  65          2HB       GLU  65 -16.954   2.428   2.428
  441   2HB   GLU  65          1HB       GLU  65 -17.371   1.185   1.185
  442   1HG   GLU  65          2HG       GLU  65 -17.555  -0.110  -0.110
  443   2HG   GLU  65          1HG       GLU  65 -15.815  -0.282  -0.282
  444    H    ARG  66           H        ARG  66 -13.989  -0.414  -0.414
  445    HA   ARG  66           HA       ARG  66 -12.908   0.679   0.679
  446   1HB   ARG  66          2HB       ARG  66 -12.943  -1.769  -1.769
  447   2HB   ARG  66          1HB       ARG  66 -11.271  -1.423  -1.423
  448   1HG   ARG  66          2HG       ARG  66 -12.182  -0.939  -0.939
  449   2HG   ARG  66          1HG       ARG  66 -13.658  -1.738  -1.738
  450   1HD   ARG  66          2HD       ARG  66 -10.874  -2.963  -2.963
  451   2HD   ARG  66          1HD       ARG  66 -12.209  -3.390  -3.390
  452    HE   ARG  66           HE       ARG  66 -12.313  -3.778  -3.778
  453   1HH1  ARG  66          1HH2      ARG  66 -14.989  -3.955  -3.955
  454   2HH1  ARG  66          2HH2      ARG  66 -15.203  -5.548  -5.548
  455   1HH2  ARG  66          1HH1      ARG  66 -11.815  -6.091  -6.091
  456   2HH2  ARG  66          2HH1      ARG  66 -13.406  -6.756  -6.756
  457    H    GLU  67           H        GLU  67 -11.545   0.267   0.267
  458    HA   GLU  67           HA       GLU  67  -8.927   1.323   1.323
  459   1HB   GLU  67          2HB       GLU  67  -9.122   0.079   0.079
  460   2HB   GLU  67          1HB       GLU  67 -10.663   0.813   0.813
  461   1HG   GLU  67          2HG       GLU  67  -8.979   1.676   1.676
  462   2HG   GLU  67          1HG       GLU  67  -9.419   2.975   2.975
  463    H    ILE  68           H        ILE  68 -11.973   2.840   2.840
  464    HA   ILE  68           HA       ILE  68 -10.944   5.424   5.424
  465    HB   ILE  68           HB       ILE  68 -13.576   4.180   4.180
  466   1HG1  ILE  68          2HG1      ILE  68 -14.164   4.855   4.855
  467   2HG1  ILE  68          1HG1      ILE  68 -12.804   5.974   5.974
  468   1HG2  ILE  68          1HG2      ILE  68 -13.514   6.381   6.381
  469   2HG2  ILE  68          3HG2      ILE  68 -13.209   7.171   7.171
  470   3HG2  ILE  68          2HG2      ILE  68 -14.728   6.316   6.316
  471   1HD1  ILE  68          1HD1      ILE  68 -12.301   3.047   3.047
  472   2HD1  ILE  68          3HD1      ILE  68 -12.609   3.636   3.636
  473   3HD1  ILE  68          2HD1      ILE  68 -11.236   4.256   4.256
  474    H    GLY  69           H        GLY  69 -11.789   3.901   3.901
  475   1HA   GLY  69          2HA       GLY  69 -11.640   6.452   6.452
  476   2HA   GLY  69          1HA       GLY  69 -11.891   4.879   4.879
  477    H    MET  70           H        MET  70  -9.780   3.405   3.405
  478    HA   MET  70           HA       MET  70  -7.698   4.449   4.449
  479   1HB   MET  70          2HB       MET  70  -7.048   2.274   2.274
  480   2HB   MET  70          1HB       MET  70  -8.194   2.153   2.153
  481   1HG   MET  70          2HG       MET  70  -5.694   3.636   3.636
  482   2HG   MET  70          1HG       MET  70  -5.500   1.953   1.953
  483   1HE   MET  70          2HE       MET  70  -7.537   0.499   0.499
  484   2HE   MET  70          1HE       MET  70  -8.776   0.951   0.951
  485   3HE   MET  70          3HE       MET  70  -7.393  -0.042  -0.042
  486    H    LEU  71           H        LEU  71  -8.033   4.315   4.315
  487    HA   LEU  71           HA       LEU  71  -5.585   5.382   5.382
  488   1HB   LEU  71          2HB       LEU  71  -7.572   4.212   4.212
  489   2HB   LEU  71          1HB       LEU  71  -8.224   5.842   5.842
  490    HG   LEU  71           HG       LEU  71  -5.774   4.578   4.578
  491   1HD1  LEU  71          2HD1      LEU  71  -8.320   5.658   5.658
  492   2HD1  LEU  71          1HD1      LEU  71  -6.986   6.474   6.474
  493   3HD1  LEU  71          3HD1      LEU  71  -7.142   4.718   4.718
  494   1HD2  LEU  71          3HD2      LEU  71  -6.178   7.535   7.535
  495   2HD2  LEU  71          2HD2      LEU  71  -4.797   6.541   6.541
  496   3HD2  LEU  71          1HD2      LEU  71  -5.081   6.908   6.908
  497    H    GLU  72           H        GLU  72  -8.436   6.935   6.935
  498    HA   GLU  72           HA       GLU  72  -7.564   9.657   9.657
  499   1HB   GLU  72          2HB       GLU  72  -9.845   9.718   9.718
  500   2HB   GLU  72          1HB       GLU  72  -9.956   8.251   8.251
  501   1HG   GLU  72          2HG       GLU  72 -10.015   9.399   9.399
  502   2HG   GLU  72          1HG       GLU  72  -9.032  10.736  10.736
  503    H    CYS  73           H        CYS  73  -7.736   7.538   7.538
  504    HA   CYS  73           HA       CYS  73  -7.142   9.320   9.320
  505   1HB   CYS  73          2HB       CYS  73  -6.972   6.502   6.502
  506   2HB   CYS  73          1HB       CYS  73  -5.539   6.987   6.987
  507    HG   CYS  73           HG       CYS  73  -6.943   7.196   7.196
  508    H    VAL  74           H        VAL  74  -5.065   8.060   8.060
  509    HA   VAL  74           HA       VAL  74  -2.654   9.351   9.351
  510    HB   VAL  74           HB       VAL  74  -1.657   8.346   8.346
  511   1HG1  VAL  74          1HG1      VAL  74  -2.826   6.980   6.980
  512   2HG1  VAL  74          3HG1      VAL  74  -2.611   5.911   5.911
  513   3HG1  VAL  74          2HG1      VAL  74  -1.231   6.788   6.788
  514   1HG2  VAL  74          2HG2      VAL  74  -3.996   8.393   8.393
  515   2HG2  VAL  74          1HG2      VAL  74  -2.972   6.985   6.985
  516   3HG2  VAL  74          3HG2      VAL  74  -4.290   6.895   6.895
  517    H    THR  75           H        THR  75  -4.122  11.425  11.425
  518    HA   THR  75           HA       THR  75  -4.813  12.654  12.654
  519    HB   THR  75           HB       THR  75  -5.221  13.564  13.564
  520    HG1  THR  75          1HG       THR  75  -5.248  15.388  15.388
  521   1HG2  THR  75          2HG2      THR  75  -2.440  13.014  13.014
  522   2HG2  THR  75          1HG2      THR  75  -2.681  14.741  14.741
  523   3HG2  THR  75          3HG2      THR  75  -3.585  13.564  13.564
  524    H    ALA  76           H        ALA  76  -3.195  11.936  11.936
  525    HA   ALA  76           HA       ALA  76  -0.732  13.649  13.649
  526   1HB   ALA  76          3HB       ALA  76  -1.099  10.745  10.745
  527   2HB   ALA  76          2HB       ALA  76  -0.153  11.360  11.360
  528   3HB   ALA  76          1HB       ALA  76   0.373  11.666  11.666
  529    H    GLU  77           H        GLU  77  -2.534  14.936  14.936
  530    HA   GLU  77           HA       GLU  77  -3.605  15.539  15.539
  531   1HB   GLU  77          2HB       GLU  77  -1.939  16.193  16.193
  532   2HB   GLU  77          1HB       GLU  77  -0.987  15.935  15.935
  533   1HG   GLU  77          2HG       GLU  77   0.276  14.484  14.484
  534   2HG   GLU  77          1HG       GLU  77  -1.118  13.418  13.418
  535    H    LEU  78           H        LEU  78  -4.383  13.057  13.057
  536    HA   LEU  78           HA       LEU  78  -4.286  10.736  10.736
  537   1HB   LEU  78          2HB       LEU  78  -6.125  11.537  11.537
  538   2HB   LEU  78          1HB       LEU  78  -6.686  12.571  12.571
  539    HG   LEU  78           HG       LEU  78  -7.346  10.714  10.714
  540   1HD1  LEU  78          3HD1      LEU  78  -5.371   9.277   9.277
  541   2HD1  LEU  78          2HD1      LEU  78  -6.774   8.344   8.344
  542   3HD1  LEU  78          1HD1      LEU  78  -5.721   9.098   9.098
  543   1HD2  LEU  78          2HD2      LEU  78  -7.890   9.984   9.984
  544   2HD2  LEU  78          1HD2      LEU  78  -8.839  11.112  11.112
  545   3HD2  LEU  78          3HD2      LEU  78  -8.804   9.400   9.400
  546    H    LYS  79           H        LYS  79  -4.234   9.894   9.894
  547    HA   LYS  79           HA       LYS  79  -4.721  11.810  11.810
  548   1HB   LYS  79          2HB       LYS  79  -3.261   9.180   9.180
  549   2HB   LYS  79          1HB       LYS  79  -3.027  10.641  10.641
  550   1HG   LYS  79          2HG       LYS  79  -2.263  11.760  11.760
  551   2HG   LYS  79          1HG       LYS  79  -2.166  10.135  10.135
  552   1HD   LYS  79          2HD       LYS  79  -0.156   9.881   9.881
  553   2HD   LYS  79          1HD       LYS  79  -0.902  10.065  10.065
  554   1HE   LYS  79          2HE       LYS  79  -0.832  12.608  12.608
  555   2HE   LYS  79          1HE       LYS  79   0.367  12.166  12.166
  556   1HZ   LYS  79          2HZ       LYS  79   1.256  10.690  10.690
  557   2HZ   LYS  79          1HZ       LYS  79   0.518  11.897  11.897
  558   3HZ   LYS  79          3HZ       LYS  79   1.734  12.312  12.312
  559    HA   PRO  80           HA       PRO  80  -8.021   9.330   9.330
  560   1HB   PRO  80          2HB       PRO  80  -7.452   9.085   9.085
  561   2HB   PRO  80          1HB       PRO  80  -8.061  10.589  10.589
  562   1HG   PRO  80          2HG       PRO  80  -5.270   9.823   9.823
  563   2HG   PRO  80          1HG       PRO  80  -6.102  11.373  11.373
  564   1HD   PRO  80          2HD       PRO  80  -4.349  10.929  10.929
  565   2HD   PRO  80          1HD       PRO  80  -5.752  12.005  12.005
  566    H    ASN  81           H        ASN  81  -4.749   8.358   8.358
  567    HA   ASN  81           HA       ASN  81  -5.577   5.539   5.539
  568   1HB   ASN  81          2HB       ASN  81  -3.118   5.352   5.352
  569   2HB   ASN  81          1HB       ASN  81  -4.024   6.471   6.471
  570   1HD2  ASN  81          2HD2      ASN  81  -0.810   7.909   7.909
  571   2HD2  ASN  81          1HD2      ASN  81  -1.076   6.307   6.307
  572    H    SER  82           H        SER  82  -4.438   7.563   7.563
  573    HA   SER  82           HA       SER  82  -2.682   5.989   5.989
  574   1HB   SER  82          2HB       SER  82  -5.128   7.519   7.519
  575   2HB   SER  82          1HB       SER  82  -3.743   7.106   7.106
  576    HG   SER  82           HG       SER  82  -2.640   8.235   8.235
  577    H    ARG  83           H        ARG  83  -3.013   4.366   4.366
  578    HA   ARG  83           HA       ARG  83  -5.576   3.229   3.229
  579   1HB   ARG  83          2HB       ARG  83  -4.414   2.516   2.516
  580   2HB   ARG  83          1HB       ARG  83  -4.328   1.101   1.101
  581   1HG   ARG  83          2HG       ARG  83  -6.560   0.783   0.783
  582   2HG   ARG  83          1HG       ARG  83  -6.891   2.496   2.496
  583   1HD   ARG  83          2HD       ARG  83  -7.664   2.378   2.378
  584   2HD   ARG  83          1HD       ARG  83  -5.946   2.561   2.561
  585    HE   ARG  83           HE       ARG  83  -5.877  -0.015  -0.015
  586   1HH1  ARG  83          1HH2      ARG  83  -8.222   1.950   1.950
  587   2HH1  ARG  83          2HH2      ARG  83  -9.182   0.634   0.634
  588   1HH2  ARG  83          1HH1      ARG  83  -7.320  -1.798  -1.798
  589   2HH2  ARG  83          2HH1      ARG  83  -8.671  -1.490  -1.490
  590    H    LEU  84           H        LEU  84  -5.333   1.350   1.350
  591    HA   LEU  84           HA       LEU  84  -2.891   1.376   1.376
  592   1HB   LEU  84          2HB       LEU  84  -5.617   0.562   0.562
  593   2HB   LEU  84          1HB       LEU  84  -4.613  -0.866  -0.866
  594    HG   LEU  84           HG       LEU  84  -4.465   1.739   1.739
  595   1HD1  LEU  84          3HD1      LEU  84  -5.879  -0.711  -0.711
  596   2HD1  LEU  84          2HD1      LEU  84  -4.593  -0.670  -0.670
  597   3HD1  LEU  84          1HD1      LEU  84  -5.769   0.619   0.619
  598   1HD2  LEU  84          1HD2      LEU  84  -2.336   0.111   0.111
  599   2HD2  LEU  84          3HD2      LEU  84  -2.406   1.192   1.192
  600   3HD2  LEU  84          2HD2      LEU  84  -2.839  -0.507  -0.507
  601    H    SER  85           H        SER  85  -1.250  -0.187  -0.187
  602    HA   SER  85           HA       SER  85  -0.526  -1.690  -1.690
  603   1HB   SER  85          2HB       SER  85   0.927  -2.803  -2.803
  604   2HB   SER  85          1HB       SER  85   0.606  -1.291  -1.291
  605    HG   SER  85           HG       SER  85  -1.273  -2.691  -2.691
  606    H    CYS  86           H        CYS  86  -2.950  -2.245  -2.245
  607    HA   CYS  86           HA       CYS  86  -3.549  -5.034  -5.034
  608   1HB   CYS  86          2HB       CYS  86  -5.460  -4.257  -4.257
  609   2HB   CYS  86          1HB       CYS  86  -3.912  -4.965  -4.965
  610    H    GLN  87           H        GLN  87  -4.175  -2.772  -2.772
  611    HA   GLN  87           HA       GLN  87  -7.112  -3.291  -3.291
  612   1HB   GLN  87          2HB       GLN  87  -6.456  -0.976  -0.976
  613   2HB   GLN  87          1HB       GLN  87  -5.692  -0.781  -0.781
  614   1HG   GLN  87          2HG       GLN  87  -8.025   0.114   0.114
  615   2HG   GLN  87          1HG       GLN  87  -7.817  -1.177  -1.177
  616   1HE2  GLN  87          2HE2      GLN  87  -9.411  -2.729  -2.729
  617   2HE2  GLN  87          1HE2      GLN  87  -7.863  -2.030  -2.030
  618    H    ILE  88           H        ILE  88  -4.233  -2.662  -2.662
  619    HA   ILE  88           HA       ILE  88  -5.746  -3.338  -3.338
  620    HB   ILE  88           HB       ILE  88  -2.875  -3.002  -3.002
  621   1HG1  ILE  88          2HG1      ILE  88  -4.419  -0.840  -0.840
  622   2HG1  ILE  88          1HG1      ILE  88  -2.904  -1.596  -1.596
  623   1HG2  ILE  88          2HG2      ILE  88  -4.877  -2.741  -2.741
  624   2HG2  ILE  88          1HG2      ILE  88  -5.050  -1.135  -1.135
  625   3HG2  ILE  88          3HG2      ILE  88  -3.554  -1.579  -1.579
  626   1HD1  ILE  88          2HD1      ILE  88  -3.225   0.036   0.036
  627   2HD1  ILE  88          1HD1      ILE  88  -2.600   0.684   0.684
  628   3HD1  ILE  88          3HD1      ILE  88  -1.719  -0.590  -0.590
  629    H    ILE  89           H        ILE  89  -5.407  -5.150  -5.150
  630    HA   ILE  89           HA       ILE  89  -3.754  -7.319  -7.319
  631    HB   ILE  89           HB       ILE  89  -6.275  -7.218  -7.218
  632   1HG1  ILE  89          2HG1      ILE  89  -6.705  -6.998  -6.998
  633   2HG1  ILE  89          1HG1      ILE  89  -7.075  -8.672  -8.672
  634   1HG2  ILE  89          3HG2      ILE  89  -4.807  -8.977  -8.977
  635   2HG2  ILE  89          2HG2      ILE  89  -4.620  -9.651  -9.651
  636   3HG2  ILE  89          1HG2      ILE  89  -6.197  -9.678  -9.678
  637   1HD1  ILE  89          1HD1      ILE  89  -4.675  -9.224  -9.224
  638   2HD1  ILE  89          3HD1      ILE  89  -4.608  -7.604  -7.604
  639   3HD1  ILE  89          2HD1      ILE  89  -5.772  -8.780  -8.780
  640    H    MET  90           H        MET  90  -2.835  -8.841  -8.841
  641    HA   MET  90           HA       MET  90  -1.888  -7.158  -7.158
  642   1HB   MET  90          2HB       MET  90  -0.471  -8.385  -8.385
  643   2HB   MET  90          1HB       MET  90  -0.544  -9.697  -9.697
  644   1HG   MET  90          2HG       MET  90   1.422  -8.402  -8.402
  645   2HG   MET  90          1HG       MET  90   0.220  -8.039  -8.039
  646   1HE   MET  90          2HE       MET  90   0.833  -6.171  -6.171
  647   2HE   MET  90          1HE       MET  90  -0.751  -5.548  -5.548
  648   3HE   MET  90          3HE       MET  90   0.688  -4.537  -4.537
  649    H    THR  91           H        THR  91  -3.081  -7.628  -7.628
  650    HA   THR  91           HA       THR  91  -4.119 -10.364 -10.364
  651    HB   THR  91           HB       THR  91  -4.831  -8.904  -8.904
  652    HG1  THR  91          1HG       THR  91  -4.786  -6.964  -6.964
  653   1HG2  THR  91          3HG2      THR  91  -6.041  -8.690  -8.690
  654   2HG2  THR  91          2HG2      THR  91  -6.873  -8.302  -8.302
  655   3HG2  THR  91          1HG2      THR  91  -6.372  -9.961  -9.961
  656    HA   PRO  92           HA       PRO  92  -0.985 -11.561 -11.561
  657   1HB   PRO  92          2HB       PRO  92  -2.400 -12.845 -12.845
  658   2HB   PRO  92          1HB       PRO  92  -2.152 -13.525 -13.525
  659   1HG   PRO  92          2HG       PRO  92  -4.539 -12.162 -12.162
  660   2HG   PRO  92          1HG       PRO  92  -4.442 -13.538 -13.538
  661   1HD   PRO  92          2HD       PRO  92  -5.011 -10.978 -10.978
  662   2HD   PRO  92          1HD       PRO  92  -4.275 -12.201 -12.201
  663    H    GLU  93           H        GLU  93  -3.305  -9.258  -9.258
  664    HA   GLU  93           HA       GLU  93  -1.964  -8.762  -8.762
  665   1HB   GLU  93          2HB       GLU  93  -4.089  -7.349  -7.349
  666   2HB   GLU  93          1HB       GLU  93  -4.313  -9.096  -9.096
  667   1HG   GLU  93          2HG       GLU  93  -5.356  -9.012  -9.012
  668   2HG   GLU  93          1HG       GLU  93  -4.404  -7.631  -7.631
  669    H    LEU  94           H        LEU  94  -2.736  -7.361  -7.361
  670    HA   LEU  94           HA       LEU  94  -1.679  -4.700  -4.700
  671   1HB   LEU  94          2HB       LEU  94  -2.658  -5.709  -5.709
  672   2HB   LEU  94          1HB       LEU  94  -2.571  -4.041  -4.041
  673    HG   LEU  94           HG       LEU  94  -4.449  -6.219  -6.219
  674   1HD1  LEU  94          1HD1      LEU  94  -4.703  -3.408  -3.408
  675   2HD1  LEU  94          3HD1      LEU  94  -6.060  -4.261  -4.261
  676   3HD1  LEU  94          2HD1      LEU  94  -5.299  -4.901  -4.901
  677   1HD2  LEU  94          3HD2      LEU  94  -3.401  -5.178  -5.178
  678   2HD2  LEU  94          2HD2      LEU  94  -5.118  -4.779  -4.779
  679   3HD2  LEU  94          1HD2      LEU  94  -3.896  -3.591  -3.591
  680    H    ASP  95           H        ASP  95   0.330  -6.407  -6.407
  681    HA   ASP  95           HA       ASP  95   1.819  -6.530  -6.530
  682   1HB   ASP  95          2HB       ASP  95   3.271  -8.034  -8.034
  683   2HB   ASP  95          1HB       ASP  95   1.601  -8.568  -8.568
  684    H    GLY  96           H        GLY  96   3.892  -5.665  -5.665
  685   1HA   GLY  96          2HA       GLY  96   5.848  -4.425  -4.425
  686   2HA   GLY  96          1HA       GLY  96   4.948  -3.960  -3.960
  687    H    ILE  97           H        ILE  97   3.644  -3.806  -3.806
  688    HA   ILE  97           HA       ILE  97   2.914  -1.014  -1.014
  689    HB   ILE  97           HB       ILE  97   1.320  -2.487  -2.487
  690   1HG1  ILE  97          2HG1      ILE  97   2.386  -0.980  -0.980
  691   2HG1  ILE  97          1HG1      ILE  97   1.729  -0.109  -0.109
  692   1HG2  ILE  97          1HG2      ILE  97   3.644  -3.201  -3.201
  693   2HG2  ILE  97          3HG2      ILE  97   1.996  -3.435  -3.435
  694   3HG2  ILE  97          2HG2      ILE  97   2.543  -4.266  -4.266
  695   1HD1  ILE  97          1HD1      ILE  97  -0.024  -2.282  -2.282
  696   2HD1  ILE  97          3HD1      ILE  97   0.285  -1.304  -1.304
  697   3HD1  ILE  97          2HD1      ILE  97  -0.365  -0.553  -0.553
  698    H    VAL  98           H        VAL  98   3.326   0.699   0.699
  699    HA   VAL  98           HA       VAL  98   5.918   0.445   0.445
  700    HB   VAL  98           HB       VAL  98   4.678   2.898   2.898
  701   1HG1  VAL  98          2HG1      VAL  98   6.533   2.892   2.892
  702   2HG1  VAL  98          1HG1      VAL  98   7.599   2.513   2.513
  703   3HG1  VAL  98          3HG1      VAL  98   6.649   3.999   3.999
  704   1HG2  VAL  98          1HG2      VAL  98   5.205   1.121   1.121
  705   2HG2  VAL  98          3HG2      VAL  98   6.236   2.541   2.541
  706   3HG2  VAL  98          2HG2      VAL  98   6.866   1.087   1.087
  707    H    VAL  99           H        VAL  99   5.622   0.724   0.724
  708    HA   VAL  99           HA       VAL  99   3.076   2.013   2.013
  709    HB   VAL  99           HB       VAL  99   5.011   0.732   0.732
  710   1HG1  VAL  99          2HG1      VAL  99   2.154   1.344   1.344
  711   2HG1  VAL  99          1HG1      VAL  99   2.488  -0.275  -0.275
  712   3HG1  VAL  99          3HG1      VAL  99   3.196   1.141   1.141
  713   1HG2  VAL  99          1HG2      VAL  99   3.895  -0.615  -0.615
  714   2HG2  VAL  99          3HG2      VAL  99   5.136  -1.134  -1.134
  715   3HG2  VAL  99          2HG2      VAL  99   3.432  -1.373  -1.373
  716    H    ASP 100           H        ASP 100   3.524   2.954   2.954
  717    HA   ASP 100           HA       ASP 100   6.074   4.265   4.265
  718   1HB   ASP 100          2HB       ASP 100   3.658   5.747   5.747
  719   2HB   ASP 100          1HB       ASP 100   4.899   6.589   6.589
  720    H    VAL 101           H        VAL 101   6.245   5.073   5.073
  721    HA   VAL 101           HA       VAL 101   3.907   4.361   4.361
  722    HB   VAL 101           HB       VAL 101   6.826   4.948   4.948
  723   1HG1  VAL 101          2HG1      VAL 101   5.039   5.608   5.608
  724   2HG1  VAL 101          1HG1      VAL 101   4.858   3.867   3.867
  725   3HG1  VAL 101          3HG1      VAL 101   6.420   4.634   4.634
  726   1HG2  VAL 101          2HG2      VAL 101   6.156   2.744   2.744
  727   2HG2  VAL 101          1HG2      VAL 101   6.984   2.582   2.582
  728   3HG2  VAL 101          3HG2      VAL 101   5.231   2.387   2.387
  729    HA   PRO 102           HA       PRO 102   3.128   8.770   8.770
  730   1HB   PRO 102          2HB       PRO 102   0.801   8.647   8.647
  731   2HB   PRO 102          1HB       PRO 102   0.896   8.243   8.243
  732   1HG   PRO 102          2HG       PRO 102   0.897   6.423   6.423
  733   2HG   PRO 102          1HG       PRO 102   0.031   6.269   6.269
  734   1HD   PRO 102          2HD       PRO 102   2.291   4.900   4.900
  735   2HD   PRO 102          1HD       PRO 102   1.893   5.498   5.498
  736    H    ASP 103           H        ASP 103   3.864  10.308  10.308
  737    HA   ASP 103           HA       ASP 103   4.229   9.476   9.476
  738   1HB   ASP 103          2HB       ASP 103   5.999  11.272  11.272
  739   2HB   ASP 103          1HB       ASP 103   6.286   9.950   9.950
  740    H    ARG 104           H        ARG 104   2.440  10.280  10.280
  741    HA   ARG 104           HA       ARG 104   1.441  12.993  12.993
  742   1HB   ARG 104          2HB       ARG 104   0.014  11.618  11.618
  743   2HB   ARG 104          1HB       ARG 104  -0.594  12.196  12.196
  744   1HG   ARG 104          2HG       ARG 104  -0.895   9.998   9.998
  745   2HG   ARG 104          1HG       ARG 104   0.835   9.964   9.964
  746   1HD   ARG 104          2HD       ARG 104  -0.626   9.179   9.179
  747   2HD   ARG 104          1HD       ARG 104   0.480   8.195   8.195
  748    HE   ARG 104           HE       ARG 104   1.663  10.661  10.661
  749   1HH1  ARG 104          1HH2      ARG 104   3.115   8.094   8.094
  750   2HH1  ARG 104          2HH2      ARG 104   3.530   7.473   7.473
  751   1HH2  ARG 104          1HH1      ARG 104   1.307   9.520   9.520
  752   2HH2  ARG 104          2HH1      ARG 104   2.507   8.281   8.281
  753    H    GLN 105           H        GLN 105   2.522  14.589  14.589
  754    HA   GLN 105           HA       GLN 105   3.507  14.071  14.071
  755   1HB   GLN 105          2HB       GLN 105   4.714  15.168  15.168
  756   2HB   GLN 105          1HB       GLN 105   3.909  16.625  16.625
  757   1HG   GLN 105          2HG       GLN 105   5.303  16.807  16.807
  758   2HG   GLN 105          1HG       GLN 105   5.174  15.088  15.088
  759   1HE2  GLN 105          2HE2      GLN 105   8.017  16.160  16.160
  760   2HE2  GLN 105          1HE2      GLN 105   6.547  17.008  17.008
  761    H    TRP 106           H        TRP 106   3.435  16.972  16.972
  762    HA   TRP 106           HA       TRP 106   0.901  17.113  17.113
  763   1HB   TRP 106          2HB       TRP 106   2.726  19.413  19.413
  764   2HB   TRP 106          1HB       TRP 106   1.716  19.250  19.250
  765    HD1  TRP 106           HD       TRP 106   4.795  19.752  19.752
  766    HE1  TRP 106          1HE       TRP 106   6.283  17.993  17.993
  767    HE3  TRP 106          3HE       TRP 106   1.860  15.601  15.601
  768    HZ2  TRP 106          2HZ       TRP 106   6.236  15.199  15.199
  769    HZ3  TRP 106          3HZ       TRP 106   2.607  13.408  13.408
  770    HH2  TRP 106           HH       TRP 106   4.790  13.202  13.202

  Start of MODEL   10
    1   1H    SER   1          2HT       SER   1   3.786 -11.565 -11.565
    2   2H    SER   1          1HT       SER   1   2.803 -11.053 -11.053
    3   3H    SER   1          3HT       SER   1   2.108 -11.413 -11.413
    4    HA   SER   1           HA       SER   1   3.195  -9.533  -9.533
    5   1HB   SER   1          2HB       SER   1   2.158  -8.120  -8.120
    6   2HB   SER   1          1HB       SER   1   1.401  -8.360  -8.360
    7    HG   SER   1           HG       SER   1   0.885  -9.558  -9.558
    8    H    LYS   2           H        LYS   2   4.701  -7.826  -7.826
    9    HA   LYS   2           HA       LYS   2   6.783  -8.162  -8.162
   10   1HB   LYS   2          2HB       LYS   2   6.942  -7.795  -7.795
   11   2HB   LYS   2          1HB       LYS   2   6.777  -6.094  -6.094
   12   1HG   LYS   2          2HG       LYS   2   9.031  -6.166  -6.166
   13   2HG   LYS   2          1HG       LYS   2   8.648  -6.964  -6.964
   14   1HD   LYS   2          2HD       LYS   2  10.060  -8.555  -8.555
   15   2HD   LYS   2          1HD       LYS   2   8.546  -9.111  -9.111
   16   1HE   LYS   2          2HE       LYS   2   9.484  -8.839  -8.839
   17   2HE   LYS   2          1HE       LYS   2   9.546  -7.093  -7.093
   18   1HZ   LYS   2          2HZ       LYS   2  11.548  -8.979  -8.979
   19   2HZ   LYS   2          1HZ       LYS   2  11.759  -8.215  -8.215
   20   3HZ   LYS   2          3HZ       LYS   2  11.644  -7.286  -7.286
   21    H    VAL   3           H        VAL   3   6.278  -7.064  -7.064
   22    HA   VAL   3           HA       VAL   3   5.040  -4.363  -4.363
   23    HB   VAL   3           HB       VAL   3   5.058  -6.474  -6.474
   24   1HG1  VAL   3          3HG1      VAL   3   4.201  -3.572  -3.572
   25   2HG1  VAL   3          2HG1      VAL   3   3.737  -4.807  -4.807
   26   3HG1  VAL   3          1HG1      VAL   3   5.436  -4.374  -4.374
   27   1HG2  VAL   3          2HG2      VAL   3   3.344  -5.818  -5.818
   28   2HG2  VAL   3          1HG2      VAL   3   2.963  -6.865  -6.865
   29   3HG2  VAL   3          3HG2      VAL   3   2.565  -5.149  -5.149
   30    H    VAL   4           H        VAL   4   5.977  -2.611  -2.611
   31    HA   VAL   4           HA       VAL   4   8.604  -3.049  -3.049
   32    HB   VAL   4           HB       VAL   4   7.859  -1.249  -1.249
   33   1HG1  VAL   4          1HG1      VAL   4   8.911   0.162   0.162
   34   2HG1  VAL   4          3HG1      VAL   4  10.279  -0.949  -0.949
   35   3HG1  VAL   4          2HG1      VAL   4   9.954  -0.014  -0.014
   36   1HG2  VAL   4          2HG2      VAL   4   9.302  -3.656  -3.656
   37   2HG2  VAL   4          1HG2      VAL   4   9.172  -2.658  -2.658
   38   3HG2  VAL   4          3HG2      VAL   4  10.502  -2.403  -2.403
   39    H    TYR   5           H        TYR   5   8.603  -2.136  -2.136
   40    HA   TYR   5           HA       TYR   5   6.490  -0.177  -0.177
   41   1HB   TYR   5          2HB       TYR   5   8.445  -1.780  -1.780
   42   2HB   TYR   5          1HB       TYR   5   7.032  -0.909  -0.909
   43    HD1  TYR   5          2HD       TYR   5   4.802  -1.424  -1.424
   44    HD2  TYR   5          1HD       TYR   5   8.175  -4.102  -4.102
   45    HE1  TYR   5          2HE       TYR   5   3.329  -3.356  -3.356
   46    HE2  TYR   5          1HE       TYR   5   6.706  -5.949  -5.949
   47    HH   TYR   5           HH       TYR   5   3.775  -6.219  -6.219
   48    H    VAL   6           H        VAL   6   6.923   1.876   1.876
   49    HA   VAL   6           HA       VAL   6   9.834   2.647   2.647
   50    HB   VAL   6           HB       VAL   6   7.621   4.525   4.525
   51   1HG1  VAL   6          2HG1      VAL   6  10.259   4.929   4.929
   52   2HG1  VAL   6          1HG1      VAL   6  10.339   4.668   4.668
   53   3HG1  VAL   6          3HG1      VAL   6   9.324   5.953   5.953
   54   1HG2  VAL   6          1HG2      VAL   6   7.673   2.436   2.436
   55   2HG2  VAL   6          3HG2      VAL   6   7.920   3.966   3.966
   56   3HG2  VAL   6          2HG2      VAL   6   9.298   2.924   2.924
   57    H    SER   7           H        SER   7  10.349   3.460   3.460
   58    HA   SER   7           HA       SER   7   8.222   3.914   3.914
   59   1HB   SER   7          2HB       SER   7  10.024   3.974   3.974
   60   2HB   SER   7          1HB       SER   7  10.658   2.946   2.946
   61    HG   SER   7           HG       SER   7  11.538   4.934   4.934
   62    H    HIS   8           H        HIS   8   9.374   6.166   6.166
   63    HA   HIS   8           HA       HIS   8   8.668   8.308   8.308
   64   1HB   HIS   8          2HB       HIS   8   8.632   9.594   9.594
   65   2HB   HIS   8          1HB       HIS   8   7.259   8.666   8.666
   66    HD1  HIS   8          1HD       HIS   8   6.353   7.252   7.252
   67    HD2  HIS   8          2HD       HIS   8  10.470   7.625   7.625
   68    HE1  HIS   8          1HE       HIS   8   6.994   5.858   5.858
   69    H    ASP   9           H        ASP   9  11.339   6.808   6.808
   70    HA   ASP   9           HA       ASP   9  12.994   9.277   9.277
   71   1HB   ASP   9          2HB       ASP   9  13.955   8.101   8.101
   72   2HB   ASP   9          1HB       ASP   9  12.892   6.742   6.742
   73    H    GLY  10           H        GLY  10  11.962   7.014   7.014
   74   1HA   GLY  10          2HA       GLY  10  12.716   7.320   7.320
   75   2HA   GLY  10          1HA       GLY  10  14.350   7.541   7.541
   76    H    THR  11           H        THR  11  14.121   5.272   5.272
   77    HA   THR  11           HA       THR  11  15.230   3.202   3.202
   78    HB   THR  11           HB       THR  11  14.845   3.644   3.644
   79    HG1  THR  11          1HG       THR  11  15.929   1.866   1.866
   80   1HG2  THR  11          3HG2      THR  11  12.322   3.204   3.204
   81   2HG2  THR  11          2HG2      THR  11  12.773   1.502   1.502
   82   3HG2  THR  11          1HG2      THR  11  13.100   2.416   2.416
   83    H    ARG  12           H        ARG  12  14.427   1.779   1.779
   84    HA   ARG  12           HA       ARG  12  11.451   1.483   1.483
   85   1HB   ARG  12          2HB       ARG  12  13.580   1.292   1.292
   86   2HB   ARG  12          1HB       ARG  12  11.834   1.258   1.258
   87   1HG   ARG  12          2HG       ARG  12  11.803   3.547   3.547
   88   2HG   ARG  12          1HG       ARG  12  13.546   3.567   3.567
   89   1HD   ARG  12          2HD       ARG  12  11.646   3.002   3.002
   90   2HD   ARG  12          1HD       ARG  12  12.061   4.666   4.666
   91    HE   ARG  12           HE       ARG  12  14.266   2.714   2.714
   92   1HH1  ARG  12          1HH1      ARG  12  14.424   5.782   5.782
   93   2HH1  ARG  12          2HH1      ARG  12  14.794   6.289   6.289
   94   1HH2  ARG  12          1HH2      ARG  12  13.918   3.256   3.256
   95   2HH2  ARG  12          2HH2      ARG  12  14.507   4.859   4.859
   96    H    ARG  13           H        ARG  13  10.663  -0.592  -0.592
   97    HA   ARG  13           HA       ARG  13  12.639  -2.845  -2.845
   98   1HB   ARG  13          2HB       ARG  13  11.025  -2.089  -2.089
   99   2HB   ARG  13          1HB       ARG  13   9.830  -3.000  -3.000
  100   1HG   ARG  13          2HG       ARG  13  10.667  -4.945  -4.945
  101   2HG   ARG  13          1HG       ARG  13  12.274  -4.511  -4.511
  102   1HD   ARG  13          2HD       ARG  13  11.089  -3.651  -3.651
  103   2HD   ARG  13          1HD       ARG  13  12.358  -4.872  -4.872
  104    HE   ARG  13           HE       ARG  13  12.690  -2.009  -2.009
  105   1HH1  ARG  13          1HH2      ARG  13  14.985  -2.334  -2.334
  106   2HH1  ARG  13          2HH2      ARG  13  16.103  -2.962  -2.962
  107   1HH2  ARG  13          1HH1      ARG  13  13.633  -3.981  -3.981
  108   2HH2  ARG  13          2HH1      ARG  13  15.336  -3.894  -3.894
  109    H    GLU  14           H        GLU  14  11.927  -4.853  -4.853
  110    HA   GLU  14           HA       GLU  14   9.705  -4.433  -4.433
  111   1HB   GLU  14          2HB       GLU  14  12.363  -5.811  -5.811
  112   2HB   GLU  14          1HB       GLU  14  11.129  -5.419  -5.419
  113   1HG   GLU  14          2HG       GLU  14  11.448  -2.969  -2.969
  114   2HG   GLU  14          1HG       GLU  14  12.926  -3.527  -3.527
  115    H    LEU  15           H        LEU  15   8.192  -6.062  -6.062
  116    HA   LEU  15           HA       LEU  15   9.100  -8.664  -8.664
  117   1HB   LEU  15          2HB       LEU  15   6.645  -6.970  -6.970
  118   2HB   LEU  15          1HB       LEU  15   6.505  -8.709  -8.709
  119    HG   LEU  15           HG       LEU  15   8.290  -6.819  -6.819
  120   1HD1  LEU  15          2HD1      LEU  15   5.670  -8.065  -8.065
  121   2HD1  LEU  15          1HD1      LEU  15   6.812  -8.456  -8.456
  122   3HD1  LEU  15          3HD1      LEU  15   6.440  -6.773  -6.773
  123   1HD2  LEU  15          1HD2      LEU  15   9.363  -9.017  -9.017
  124   2HD2  LEU  15          3HD2      LEU  15   9.020  -8.715  -8.715
  125   3HD2  LEU  15          2HD2      LEU  15   7.958  -9.787  -9.787
  126    H    ASP  16           H        ASP  16   8.289 -10.563 -10.563
  127    HA   ASP  16           HA       ASP  16   7.087 -10.306 -10.306
  128   1HB   ASP  16          2HB       ASP  16   8.460 -12.622 -12.622
  129   2HB   ASP  16          1HB       ASP  16   7.966 -12.609 -12.609
  130    H    VAL  17           H        VAL  17   4.931  -9.944  -9.944
  131    HA   VAL  17           HA       VAL  17   3.794 -12.055 -12.055
  132    HB   VAL  17           HB       VAL  17   2.960  -9.308  -9.308
  133   1HG1  VAL  17          1HG1      VAL  17   1.400 -11.282 -11.282
  134   2HG1  VAL  17          3HG1      VAL  17   0.978  -9.583  -9.583
  135   3HG1  VAL  17          2HG1      VAL  17   0.938 -10.671 -10.671
  136   1HG2  VAL  17          1HG2      VAL  17   4.397 -10.368 -10.368
  137   2HG2  VAL  17          3HG2      VAL  17   4.029  -8.684  -8.684
  138   3HG2  VAL  17          2HG2      VAL  17   2.892  -9.646  -9.646
  139    H    ALA  18           H        ALA  18   1.461 -12.679 -12.679
  140    HA   ALA  18           HA       ALA  18   1.275 -13.137 -13.137
  141   1HB   ALA  18          3HB       ALA  18   1.876 -15.119 -15.119
  142   2HB   ALA  18          2HB       ALA  18   0.393 -14.902 -14.902
  143   3HB   ALA  18          1HB       ALA  18   0.306 -15.315 -15.315
  144    H    ASP  19           H        ASP  19  -1.361 -14.526 -14.526
  145    HA   ASP  19           HA       ASP  19  -3.018 -12.061 -12.061
  146   1HB   ASP  19          2HB       ASP  19  -4.459 -13.302 -13.302
  147   2HB   ASP  19          1HB       ASP  19  -2.883 -13.968 -13.968
  148    H    GLY  20           H        GLY  20  -4.176 -11.626 -11.626
  149   1HA   GLY  20          2HA       GLY  20  -5.856 -12.403 -12.403
  150   2HA   GLY  20          1HA       GLY  20  -4.921 -13.891 -13.891
  151    H    VAL  21           H        VAL  21  -2.538 -11.730 -11.730
  152    HA   VAL  21           HA       VAL  21  -2.368 -11.478 -11.478
  153    HB   VAL  21           HB       VAL  21  -0.379 -11.148 -11.148
  154   1HG1  VAL  21          2HG1      VAL  21  -0.070 -10.839 -10.839
  155   2HG1  VAL  21          1HG1      VAL  21   1.301 -11.145 -11.145
  156   3HG1  VAL  21          3HG1      VAL  21   0.344  -9.676  -9.676
  157   1HG2  VAL  21          3HG2      VAL  21  -1.255 -13.391 -13.391
  158   2HG2  VAL  21          2HG2      VAL  21  -0.332 -13.413 -13.413
  159   3HG2  VAL  21          1HG2      VAL  21   0.494 -13.148 -13.148
  160    H    SER  22           H        SER  22  -1.312  -9.445  -9.445
  161    HA   SER  22           HA       SER  22  -2.273  -7.035  -7.035
  162   1HB   SER  22          2HB       SER  22  -1.989  -6.559  -6.559
  163   2HB   SER  22          1HB       SER  22  -3.472  -6.555  -6.555
  164    HG   SER  22           HG       SER  22  -2.567  -8.378  -8.378
  165    H    LEU  23           H        LEU  23  -0.948  -5.042  -5.042
  166    HA   LEU  23           HA       LEU  23   1.867  -5.650  -5.650
  167   1HB   LEU  23          2HB       LEU  23   0.536  -3.132  -3.132
  168   2HB   LEU  23          1HB       LEU  23   2.147  -3.235  -3.235
  169    HG   LEU  23           HG       LEU  23  -0.493  -3.641  -3.641
  170   1HD1  LEU  23          1HD1      LEU  23   1.002  -1.381  -1.381
  171   2HD1  LEU  23          3HD1      LEU  23   1.652  -1.970  -1.970
  172   3HD1  LEU  23          2HD1      LEU  23  -0.073  -1.635  -1.635
  173   1HD2  LEU  23          3HD2      LEU  23   2.200  -4.711  -4.711
  174   2HD2  LEU  23          2HD2      LEU  23   0.622  -5.259  -5.259
  175   3HD2  LEU  23          1HD2      LEU  23   1.413  -3.890  -3.890
  176    H    MET  24           H        MET  24  -0.140  -5.020  -5.020
  177    HA   MET  24           HA       MET  24   2.161  -5.136  -5.136
  178   1HB   MET  24          2HB       MET  24  -0.218  -3.984  -3.984
  179   2HB   MET  24          1HB       MET  24  -0.628  -5.512  -5.512
  180   1HG   MET  24          2HG       MET  24   1.757  -4.931  -4.931
  181   2HG   MET  24          1HG       MET  24   1.101  -3.313  -3.313
  182   1HE   MET  24          2HE       MET  24   0.908  -6.664  -6.664
  183   2HE   MET  24          1HE       MET  24  -0.185  -6.730  -6.730
  184   3HE   MET  24          3HE       MET  24  -0.826  -6.867  -6.867
  185    H    GLN  25           H        GLN  25   0.954  -7.475  -7.475
  186    HA   GLN  25           HA       GLN  25   0.940  -9.524  -9.524
  187   1HB   GLN  25          2HB       GLN  25  -0.950  -9.516  -9.516
  188   2HB   GLN  25          1HB       GLN  25   0.117  -9.471  -9.471
  189   1HG   GLN  25          2HG       GLN  25   0.683 -11.710 -11.710
  190   2HG   GLN  25          1HG       GLN  25   0.437 -11.728 -11.728
  191   1HE2  GLN  25          2HE2      GLN  25  -3.235 -11.507 -11.507
  192   2HE2  GLN  25          1HE2      GLN  25  -2.153 -10.202 -10.202
  193    H    ALA  26           H        ALA  26   2.121  -9.550  -9.550
  194    HA   ALA  26           HA       ALA  26   4.192 -11.428 -11.428
  195   1HB   ALA  26          2HB       ALA  26   3.796  -8.984  -8.984
  196   2HB   ALA  26          1HB       ALA  26   5.320  -9.906  -9.906
  197   3HB   ALA  26          3HB       ALA  26   3.760 -10.693 -10.693
  198    H    ALA  27           H        ALA  27   4.439  -7.886  -7.886
  199    HA   ALA  27           HA       ALA  27   7.119  -7.618  -7.618
  200   1HB   ALA  27          2HB       ALA  27   4.531  -6.155  -6.155
  201   2HB   ALA  27          1HB       ALA  27   6.006  -5.526  -5.526
  202   3HB   ALA  27          3HB       ALA  27   5.878  -5.700  -5.700
  203    H    VAL  28           H        VAL  28   4.185  -7.832  -7.832
  204    HA   VAL  28           HA       VAL  28   5.038  -7.838  -7.838
  205    HB   VAL  28           HB       VAL  28   2.927  -8.793  -8.793
  206   1HG1  VAL  28          3HG1      VAL  28   3.897 -10.816 -10.816
  207   2HG1  VAL  28          2HG1      VAL  28   2.177 -10.673 -10.673
  208   3HG1  VAL  28          1HG1      VAL  28   3.306 -11.086 -11.086
  209   1HG2  VAL  28          2HG2      VAL  28   2.849  -7.165  -7.165
  210   2HG2  VAL  28          1HG2      VAL  28   1.556  -8.369  -8.369
  211   3HG2  VAL  28          3HG2      VAL  28   2.916  -8.551  -8.551
  212    H    SER  29           H        SER  29   4.948 -10.793 -10.793
  213    HA   SER  29           HA       SER  29   6.400 -12.503 -12.503
  214   1HB   SER  29          2HB       SER  29   6.961 -13.050 -13.050
  215   2HB   SER  29          1HB       SER  29   5.810 -13.876 -13.876
  216    HG   SER  29           HG       SER  29   4.286 -12.913 -12.913
  217    H    ASN  30           H        ASN  30   7.448 -10.641 -10.641
  218    HA   ASN  30           HA       ASN  30  10.234 -11.186 -11.186
  219   1HB   ASN  30          2HB       ASN  30   8.333  -9.260  -9.260
  220   2HB   ASN  30          1HB       ASN  30   9.988  -8.678  -8.678
  221   1HD2  ASN  30          2HD2      ASN  30   9.030 -11.509 -11.509
  222   2HD2  ASN  30          1HD2      ASN  30   7.864 -10.833 -10.833
  223    H    GLY  31           H        GLY  31   8.246  -9.503  -9.503
  224   1HA   GLY  31          2HA       GLY  31   8.952  -8.485  -8.485
  225   2HA   GLY  31          1HA       GLY  31  10.607  -8.456  -8.456
  226    H    ILE  32           H        ILE  32   9.172  -7.324  -7.324
  227    HA   ILE  32           HA       ILE  32   9.939  -4.681  -4.681
  228    HB   ILE  32           HB       ILE  32   7.550  -6.093  -6.093
  229   1HG1  ILE  32          2HG1      ILE  32  10.245  -5.256  -5.256
  230   2HG1  ILE  32          1HG1      ILE  32   9.643  -6.895  -6.895
  231   1HG2  ILE  32          3HG2      ILE  32   8.559  -3.299  -3.299
  232   2HG2  ILE  32          2HG2      ILE  32   7.384  -4.181  -4.181
  233   3HG2  ILE  32          1HG2      ILE  32   6.978  -3.715  -3.715
  234   1HD1  ILE  32          2HD1      ILE  32   7.699  -6.058  -6.058
  235   2HD1  ILE  32          1HD1      ILE  32   8.910  -4.882  -4.882
  236   3HD1  ILE  32          3HD1      ILE  32   9.231  -6.607  -6.607
  237    H    TYR  33           H        TYR  33   6.894  -6.028  -6.028
  238    HA   TYR  33           HA       TYR  33   6.216  -3.333  -3.333
  239   1HB   TYR  33          2HB       TYR  33   4.718  -5.912  -5.912
  240   2HB   TYR  33          1HB       TYR  33   4.064  -4.655  -4.655
  241    HD1  TYR  33          1HD       TYR  33   3.721  -2.317  -2.317
  242    HD2  TYR  33          2HD       TYR  33   4.728  -5.680  -5.680
  243    HE1  TYR  33          1HE       TYR  33   2.988  -1.052  -1.052
  244    HE2  TYR  33          2HE       TYR  33   4.009  -4.454  -4.454
  245    HH   TYR  33           HH       TYR  33   2.667  -2.608  -2.608
  246    H    ASP  34           H        ASP  34   8.351  -4.160  -4.160
  247    HA   ASP  34           HA       ASP  34   7.890  -5.867  -5.867
  248   1HB   ASP  34          2HB       ASP  34  10.010  -4.967  -4.967
  249   2HB   ASP  34          1HB       ASP  34  10.089  -5.092  -5.092
  250    H    ILE  35           H        ILE  35   6.503  -2.930  -2.930
  251    HA   ILE  35           HA       ILE  35   6.453  -1.659  -1.659
  252    HB   ILE  35           HB       ILE  35   6.290  -0.715  -0.715
  253   1HG1  ILE  35          2HG1      ILE  35   4.678   0.142   0.142
  254   2HG1  ILE  35          1HG1      ILE  35   6.132   0.865   0.865
  255   1HG2  ILE  35          3HG2      ILE  35   4.030  -2.330  -2.330
  256   2HG2  ILE  35          2HG2      ILE  35   3.368  -0.713  -0.713
  257   3HG2  ILE  35          1HG2      ILE  35   4.403  -1.051  -1.051
  258   1HD1  ILE  35          1HD1      ILE  35   4.524   1.213   1.213
  259   2HD1  ILE  35          3HD1      ILE  35   3.290   1.188   1.188
  260   3HD1  ILE  35          2HD1      ILE  35   4.588   2.380   2.380
  261    H    VAL  36           H        VAL  36   3.448  -1.106  -1.106
  262    HA   VAL  36           HA       VAL  36   2.500  -3.288  -3.288
  263    HB   VAL  36           HB       VAL  36   0.438  -1.914  -1.914
  264   1HG1  VAL  36          3HG1      VAL  36   3.129  -0.634  -0.634
  265   2HG1  VAL  36          2HG1      VAL  36   1.670   0.329   0.329
  266   3HG1  VAL  36          1HG1      VAL  36   1.937  -1.105  -1.105
  267   1HG2  VAL  36          2HG2      VAL  36   1.746  -0.865  -0.865
  268   2HG2  VAL  36          1HG2      VAL  36   0.036  -0.909  -0.909
  269   3HG2  VAL  36          3HG2      VAL  36   1.068   0.376   0.376
  270    H    GLY  37           H        GLY  37   1.307  -5.045  -5.045
  271   1HA   GLY  37          2HA       GLY  37   0.400  -5.092  -5.092
  272   2HA   GLY  37          1HA       GLY  37   1.043  -6.517  -6.517
  273    H    ASP  38           H        ASP  38  -1.435  -4.038  -4.038
  274    HA   ASP  38           HA       ASP  38  -3.098  -6.023  -6.023
  275   1HB   ASP  38          2HB       ASP  38  -3.362  -3.103  -3.103
  276   2HB   ASP  38          1HB       ASP  38  -4.622  -3.971  -3.971
  277    H    CYS  39           H        CYS  39  -2.527  -5.667  -5.667
  278    HA   CYS  39           HA       CYS  39  -5.389  -6.052  -6.052
  279   1HB   CYS  39          2HB       CYS  39  -4.249  -5.595  -5.595
  280   2HB   CYS  39          1HB       CYS  39  -4.664  -4.265  -4.265
  281    H    GLY  40           H        GLY  40  -2.191  -7.128  -7.128
  282   1HA   GLY  40          2HA       GLY  40  -1.628  -9.201  -9.201
  283   2HA   GLY  40          1HA       GLY  40  -2.415  -9.860  -9.860
  284    H    GLY  41           H        GLY  41  -3.630  -8.132  -8.132
  285   1HA   GLY  41          2HA       GLY  41  -5.147  -8.903  -8.903
  286   2HA   GLY  41          1HA       GLY  41  -5.127 -10.490 -10.490
  287    H    SER  42           H        SER  42  -5.813  -7.454  -7.454
  288    HA   SER  42           HA       SER  42  -8.644  -8.379  -8.379
  289   1HB   SER  42          2HB       SER  42  -6.995  -8.667  -8.667
  290   2HB   SER  42          1HB       SER  42  -6.975  -6.909  -6.909
  291    HG   SER  42           HG       SER  42  -9.444  -7.348  -7.348
  292    H    ALA  43           H        ALA  43  -6.447  -5.573  -5.573
  293    HA   ALA  43           HA       ALA  43  -6.820  -3.377  -3.377
  294   1HB   ALA  43          3HB       ALA  43  -8.315  -4.941  -4.941
  295   2HB   ALA  43          2HB       ALA  43  -9.612  -4.069  -4.069
  296   3HB   ALA  43          1HB       ALA  43  -8.394  -3.183  -3.183
  297    H    SER  44           H        SER  44  -7.059  -3.572  -3.572
  298    HA   SER  44           HA       SER  44  -9.499  -1.949  -1.949
  299   1HB   SER  44          2HB       SER  44  -9.980  -3.311  -3.311
  300   2HB   SER  44          1HB       SER  44  -9.313  -4.497  -4.497
  301    HG   SER  44           HG       SER  44  -8.227  -4.765  -4.765
  302    H    CYS  45           H        CYS  45  -6.238  -1.754  -1.754
  303    HA   CYS  45           HA       CYS  45  -5.937  -0.217  -0.217
  304   1HB   CYS  45          2HB       CYS  45  -3.390  -0.701  -0.701
  305   2HB   CYS  45          1HB       CYS  45  -4.040  -1.375  -1.375
  306    H    ALA  46           H        ALA  46  -4.851   1.813   1.813
  307    HA   ALA  46           HA       ALA  46  -4.954   3.231   3.231
  308   1HB   ALA  46          2HB       ALA  46  -5.036   4.185   4.185
  309   2HB   ALA  46          1HB       ALA  46  -5.141   5.239   5.239
  310   3HB   ALA  46          3HB       ALA  46  -6.412   4.057   4.057
  311    H    THR  47           H        THR  47  -2.634   1.701   1.701
  312    HA   THR  47           HA       THR  47  -0.614   3.895   3.895
  313    HB   THR  47           HB       THR  47   0.729   2.083   2.083
  314    HG1  THR  47          1HG       THR  47  -0.819   0.645   0.645
  315   1HG2  THR  47          3HG2      THR  47  -1.798   3.256   3.256
  316   2HG2  THR  47          2HG2      THR  47  -0.421   2.650   2.650
  317   3HG2  THR  47          1HG2      THR  47  -0.235   4.066   4.066
  318    H    CYS  48           H        CYS  48  -1.843   1.757   1.757
  319    HA   CYS  48           HA       CYS  48   0.805   0.963   0.963
  320   1HB   CYS  48          2HB       CYS  48  -1.404  -0.495  -0.495
  321   2HB   CYS  48          1HB       CYS  48  -0.069  -1.106  -1.106
  322    H    HIS  49           H        HIS  49  -1.172   3.410   3.410
  323    HA   HIS  49           HA       HIS  49  -2.366   3.669   3.669
  324   1HB   HIS  49          2HB       HIS  49  -1.906   5.350   5.350
  325   2HB   HIS  49          1HB       HIS  49  -0.369   5.664   5.664
  326    HD1  HIS  49          1HD       HIS  49  -2.979   7.619   7.619
  327    HD2  HIS  49          2HD       HIS  49  -1.654   5.648   5.648
  328    HE1  HIS  49          1HE       HIS  49  -3.894   8.910   8.910
  329    H    VAL  50           H        VAL  50  -1.619   3.804   3.804
  330    HA   VAL  50           HA       VAL  50   1.308   3.941   3.941
  331    HB   VAL  50           HB       VAL  50   1.092   1.954   1.954
  332   1HG1  VAL  50          1HG1      VAL  50   1.591   2.062   2.062
  333   2HG1  VAL  50          3HG1      VAL  50   0.329   0.833   0.833
  334   3HG1  VAL  50          2HG1      VAL  50   1.819   0.637   0.637
  335   1HG2  VAL  50          3HG2      VAL  50  -1.446   2.209   2.209
  336   2HG2  VAL  50          2HG2      VAL  50  -0.833   0.564   0.564
  337   3HG2  VAL  50          1HG2      VAL  50  -1.465   1.428   1.428
  338    H    TYR  51           H        TYR  51   1.787   4.479   4.479
  339    HA   TYR  51           HA       TYR  51  -0.516   5.619   5.619
  340   1HB   TYR  51          2HB       TYR  51   2.249   6.565   6.565
  341   2HB   TYR  51          1HB       TYR  51   1.393   7.248   7.248
  342    HD1  TYR  51          1HD       TYR  51  -1.328   6.519   6.519
  343    HD2  TYR  51          2HD       TYR  51   2.158   9.037   9.037
  344    HE1  TYR  51          1HE       TYR  51  -2.604   8.093   8.093
  345    HE2  TYR  51          2HE       TYR  51   0.858  10.601  10.601
  346    HH   TYR  51           HH       TYR  51  -1.794  11.123  11.123
  347    H    VAL  52           H        VAL  52  -0.792   4.622   4.622
  348    HA   VAL  52           HA       VAL  52   1.444   3.048   3.048
  349    HB   VAL  52           HB       VAL  52  -1.429   3.381   3.381
  350   1HG1  VAL  52          3HG1      VAL  52   0.145   2.337   2.337
  351   2HG1  VAL  52          2HG1      VAL  52   0.579   1.130   1.130
  352   3HG1  VAL  52          1HG1      VAL  52  -1.064   1.181   1.181
  353   1HG2  VAL  52          1HG2      VAL  52  -0.344   2.055   2.055
  354   2HG2  VAL  52          3HG2      VAL  52  -2.027   2.327   2.327
  355   3HG2  VAL  52          2HG2      VAL  52  -1.167   0.915   0.915
  356    H    ASN  53           H        ASN  53   1.667   3.362   3.362
  357    HA   ASN  53           HA       ASN  53   2.275   6.160   6.160
  358   1HB   ASN  53          2HB       ASN  53   2.798   5.151   5.151
  359   2HB   ASN  53          1HB       ASN  53   3.609   4.345   4.345
  360   1HD2  ASN  53          2HD2      ASN  53   1.861   1.343   1.343
  361   2HD2  ASN  53          1HD2      ASN  53   2.950   2.230   2.230
  362    H    GLU  54           H        GLU  54   1.323   6.015   6.015
  363    HA   GLU  54           HA       GLU  54  -1.510   6.782   6.782
  364   1HB   GLU  54          2HB       GLU  54  -1.189   7.933   7.933
  365   2HB   GLU  54          1HB       GLU  54  -0.109   8.495   8.495
  366   1HG   GLU  54          2HG       GLU  54   1.731   7.751   7.751
  367   2HG   GLU  54          1HG       GLU  54   0.974   6.205   6.205
  368    H    ALA  55           H        ALA  55   0.353   4.286   4.286
  369    HA   ALA  55           HA       ALA  55  -1.847   3.603   3.603
  370   1HB   ALA  55          2HB       ALA  55   1.020   2.748   2.748
  371   2HB   ALA  55          1HB       ALA  55  -0.048   1.966   1.966
  372   3HB   ALA  55          3HB       ALA  55   0.326   3.681   3.681
  373    H    PHE  56           H        PHE  56  -0.111   2.053   2.053
  374    HA   PHE  56           HA       PHE  56  -1.655  -0.420  -0.420
  375   1HB   PHE  56          2HB       PHE  56   0.300   0.576   0.576
  376   2HB   PHE  56          1HB       PHE  56  -0.341  -1.058  -1.058
  377    HD1  PHE  56          1HD       PHE  56   1.644   1.429   1.429
  378    HD2  PHE  56          2HD       PHE  56   0.548  -2.751  -2.751
  379    HE1  PHE  56          1HE       PHE  56   3.283   0.866   0.866
  380    HE2  PHE  56          2HE       PHE  56   2.182  -3.261  -3.261
  381    HZ   PHE  56           HZ       PHE  56   3.552  -1.475  -1.475
  382    H    THR  57           H        THR  57  -2.258   2.552   2.552
  383    HA   THR  57           HA       THR  57  -3.893   1.410   1.410
  384    HB   THR  57           HB       THR  57  -3.954   3.574   3.574
  385    HG1  THR  57          1HG       THR  57  -5.074   4.895   4.895
  386   1HG2  THR  57          1HG2      THR  57  -1.591   3.085   3.085
  387   2HG2  THR  57          3HG2      THR  57  -2.084   4.470   4.470
  388   3HG2  THR  57          2HG2      THR  57  -1.947   4.622   4.622
  389    H    ASP  58           H        ASP  58  -4.531   3.228   3.228
  390    HA   ASP  58           HA       ASP  58  -7.378   3.131   3.131
  391   1HB   ASP  58          2HB       ASP  58  -7.080   3.448   3.448
  392   2HB   ASP  58          1HB       ASP  58  -6.243   4.616   4.616
  393    H    LYS  59           H        LYS  59  -5.084   0.646   0.646
  394    HA   LYS  59           HA       LYS  59  -6.946  -1.077  -1.077
  395   1HB   LYS  59          2HB       LYS  59  -4.149  -1.530  -1.530
  396   2HB   LYS  59          1HB       LYS  59  -4.982  -2.546  -2.546
  397   1HG   LYS  59          2HG       LYS  59  -4.559   0.395   0.395
  398   2HG   LYS  59          1HG       LYS  59  -3.309  -0.787  -0.787
  399   1HD   LYS  59          2HD       LYS  59  -5.926  -1.660  -1.660
  400   2HD   LYS  59          1HD       LYS  59  -5.488  -0.091  -0.091
  401   1HE   LYS  59          2HE       LYS  59  -3.141  -1.698  -1.698
  402   2HE   LYS  59          1HE       LYS  59  -4.474  -2.677  -2.677
  403   1HZ   LYS  59          2HZ       LYS  59  -4.335   0.153   0.153
  404   2HZ   LYS  59          1HZ       LYS  59  -3.261  -0.922  -0.922
  405   3HZ   LYS  59          3HZ       LYS  59  -4.935  -1.168  -1.168
  406    H    VAL  60           H        VAL  60  -5.112  -1.258  -1.258
  407    HA   VAL  60           HA       VAL  60  -6.097  -3.603  -3.603
  408    HB   VAL  60           HB       VAL  60  -5.840  -2.286  -2.286
  409   1HG1  VAL  60          2HG1      VAL  60  -3.643  -2.193  -2.193
  410   2HG1  VAL  60          1HG1      VAL  60  -3.400  -1.978  -1.978
  411   3HG1  VAL  60          3HG1      VAL  60  -3.977  -3.523  -3.523
  412   1HG2  VAL  60          2HG2      VAL  60  -6.502  -0.111  -0.111
  413   2HG2  VAL  60          1HG2      VAL  60  -5.093  -0.036  -0.036
  414   3HG2  VAL  60          3HG2      VAL  60  -4.880  -0.108  -0.108
  415    HA   PRO  61           HA       PRO  61 -10.382  -3.143  -3.143
  416   1HB   PRO  61          2HB       PRO  61 -10.616  -4.119  -4.119
  417   2HB   PRO  61          1HB       PRO  61 -10.356  -5.141  -5.141
  418   1HG   PRO  61          2HG       PRO  61  -8.386  -4.171  -4.171
  419   2HG   PRO  61          1HG       PRO  61  -8.520  -5.765  -5.765
  420   1HD   PRO  61          2HD       PRO  61  -6.690  -3.938  -3.938
  421   2HD   PRO  61          1HD       PRO  61  -7.438  -5.092  -5.092
  422    H    ALA  62           H        ALA  62 -11.938  -2.065  -2.065
  423    HA   ALA  62           HA       ALA  62 -11.059   0.524   0.524
  424   1HB   ALA  62          1HB       ALA  62 -13.236  -0.648  -0.648
  425   2HB   ALA  62          3HB       ALA  62 -13.865  -0.206  -0.206
  426   3HB   ALA  62          2HB       ALA  62 -13.138   1.027   1.027
  427    H    ALA  63           H        ALA  63 -10.675   0.949   0.949
  428    HA   ALA  63           HA       ALA  63 -11.012  -0.997  -0.997
  429   1HB   ALA  63          1HB       ALA  63 -10.459   1.990   1.990
  430   2HB   ALA  63          3HB       ALA  63 -10.257   0.947   0.947
  431   3HB   ALA  63          2HB       ALA  63  -9.247   0.708   0.708
  432    H    ASN  64           H        ASN  64 -12.474  -0.729  -0.729
  433    HA   ASN  64           HA       ASN  64 -15.084   0.433   0.433
  434   1HB   ASN  64          2HB       ASN  64 -15.918  -1.002  -1.002
  435   2HB   ASN  64          1HB       ASN  64 -15.031  -1.910  -1.910
  436   1HD2  ASN  64          2HD2      ASN  64 -13.700  -2.892  -2.892
  437   2HD2  ASN  64          1HD2      ASN  64 -15.227  -2.963  -2.963
  438    H    GLU  65           H        GLU  65 -16.333   0.835   0.835
  439    HA   GLU  65           HA       GLU  65 -15.459   3.426   3.426
  440   1HB   GLU  65          2HB       GLU  65 -17.401   3.299   3.299
  441   2HB   GLU  65          1HB       GLU  65 -17.770   2.263   2.263
  442   1HG   GLU  65          2HG       GLU  65 -18.257   0.680   0.680
  443   2HG   GLU  65          1HG       GLU  65 -16.510   0.517   0.517
  444    H    ARG  66           H        ARG  66 -14.585   0.225   0.225
  445    HA   ARG  66           HA       ARG  66 -13.806   0.768   0.768
  446   1HB   ARG  66          2HB       ARG  66 -13.665  -1.327  -1.327
  447   2HB   ARG  66          1HB       ARG  66 -12.042  -1.082  -1.082
  448   1HG   ARG  66          2HG       ARG  66 -14.523  -1.926  -1.926
  449   2HG   ARG  66          1HG       ARG  66 -12.911  -2.643  -2.643
  450   1HD   ARG  66          2HD       ARG  66 -12.711  -1.544  -1.544
  451   2HD   ARG  66          1HD       ARG  66 -12.399  -0.123  -0.123
  452    HE   ARG  66           HE       ARG  66 -15.183  -0.350  -0.350
  453   1HH1  ARG  66          1HH1      ARG  66 -12.529   0.777   0.777
  454   2HH1  ARG  66          2HH1      ARG  66 -13.469   1.302   1.302
  455   1HH2  ARG  66          1HH2      ARG  66 -16.440  -0.010  -0.010
  456   2HH2  ARG  66          2HH2      ARG  66 -15.684   0.857   0.857
  457    H    GLU  67           H        GLU  67 -11.919   0.630   0.630
  458    HA   GLU  67           HA       GLU  67  -9.438   1.486   1.486
  459   1HB   GLU  67          2HB       GLU  67  -9.679   0.468   0.468
  460   2HB   GLU  67          1HB       GLU  67 -10.845   1.682   1.682
  461   1HG   GLU  67          2HG       GLU  67  -8.613   3.180   3.180
  462   2HG   GLU  67          1HG       GLU  67  -7.927   1.763   1.763
  463    H    ILE  68           H        ILE  68 -12.038   3.442   3.442
  464    HA   ILE  68           HA       ILE  68 -10.804   5.924   5.924
  465    HB   ILE  68           HB       ILE  68 -13.585   4.896   4.896
  466   1HG1  ILE  68          2HG1      ILE  68 -13.952   5.972   5.972
  467   2HG1  ILE  68          1HG1      ILE  68 -12.423   6.842   6.842
  468   1HG2  ILE  68          2HG2      ILE  68 -13.421   6.913   6.913
  469   2HG2  ILE  68          1HG2      ILE  68 -12.933   7.857   7.857
  470   3HG2  ILE  68          3HG2      ILE  68 -14.537   7.126   7.126
  471   1HD1  ILE  68          1HD1      ILE  68 -11.243   4.621   4.621
  472   2HD1  ILE  68          3HD1      ILE  68 -12.795   3.849   3.849
  473   3HD1  ILE  68          2HD1      ILE  68 -12.086   4.948   4.948
  474    H    GLY  69           H        GLY  69 -11.878   4.195   4.195
  475   1HA   GLY  69          2HA       GLY  69 -11.476   6.629   6.629
  476   2HA   GLY  69          1HA       GLY  69 -12.039   5.078   5.078
  477    H    MET  70           H        MET  70 -10.296   3.275   3.275
  478    HA   MET  70           HA       MET  70  -8.047   3.721   3.721
  479   1HB   MET  70          2HB       MET  70  -7.070   1.819   1.819
  480   2HB   MET  70          1HB       MET  70  -8.558   1.463   1.463
  481   1HG   MET  70          2HG       MET  70  -9.489   2.567   2.567
  482   2HG   MET  70          1HG       MET  70  -8.032   1.743   1.743
  483   1HE   MET  70          1HE       MET  70  -7.917   0.065   0.065
  484   2HE   MET  70          3HE       MET  70  -7.691  -1.121  -1.121
  485   3HE   MET  70          2HE       MET  70  -8.900  -1.419  -1.419
  486    H    LEU  71           H        LEU  71  -8.330   3.935   3.935
  487    HA   LEU  71           HA       LEU  71  -5.598   4.663   4.663
  488   1HB   LEU  71          2HB       LEU  71  -7.447   3.571   3.571
  489   2HB   LEU  71          1HB       LEU  71  -8.131   5.201   5.201
  490    HG   LEU  71           HG       LEU  71  -5.658   4.065   4.065
  491   1HD1  LEU  71          1HD1      LEU  71  -8.163   5.351   5.351
  492   2HD1  LEU  71          3HD1      LEU  71  -6.780   6.145   6.145
  493   3HD1  LEU  71          2HD1      LEU  71  -7.041   4.418   4.418
  494   1HD2  LEU  71          2HD2      LEU  71  -6.003   7.005   7.005
  495   2HD2  LEU  71          1HD2      LEU  71  -4.751   5.937   5.937
  496   3HD2  LEU  71          3HD2      LEU  71  -4.768   6.353   6.353
  497    H    GLU  72           H        GLU  72  -8.475   6.378   6.378
  498    HA   GLU  72           HA       GLU  72  -7.340   9.053   9.053
  499   1HB   GLU  72          2HB       GLU  72  -9.656   8.883   8.883
  500   2HB   GLU  72          1HB       GLU  72  -9.927   7.912   7.912
  501   1HG   GLU  72          2HG       GLU  72 -10.258   9.734   9.734
  502   2HG   GLU  72          1HG       GLU  72  -8.784  10.507  10.507
  503    H    CYS  73           H        CYS  73  -7.753   6.848   6.848
  504    HA   CYS  73           HA       CYS  73  -7.697   8.557   8.557
  505   1HB   CYS  73          2HB       CYS  73  -7.049   5.834   5.834
  506   2HB   CYS  73          1HB       CYS  73  -5.816   6.457   6.457
  507    HG   CYS  73           HG       CYS  73  -8.688   5.844   5.844
  508    H    VAL  74           H        VAL  74  -4.974   7.558   7.558
  509    HA   VAL  74           HA       VAL  74  -3.154   9.392   9.392
  510    HB   VAL  74           HB       VAL  74  -1.546   8.437   8.437
  511   1HG1  VAL  74          1HG1      VAL  74  -2.949   6.616   6.616
  512   2HG1  VAL  74          3HG1      VAL  74  -1.403   6.255   6.255
  513   3HG1  VAL  74          2HG1      VAL  74  -1.543   7.633   7.633
  514   1HG2  VAL  74          1HG2      VAL  74  -3.820   7.634   7.634
  515   2HG2  VAL  74          3HG2      VAL  74  -2.264   6.835   6.835
  516   3HG2  VAL  74          2HG2      VAL  74  -3.438   6.177   6.177
  517    H    THR  75           H        THR  75  -4.227  11.380  11.380
  518    HA   THR  75           HA       THR  75  -5.080  12.311  12.311
  519    HB   THR  75           HB       THR  75  -5.136  13.468  13.468
  520    HG1  THR  75          1HG       THR  75  -3.765  15.161  15.161
  521   1HG2  THR  75          1HG2      THR  75  -2.342  13.026  13.026
  522   2HG2  THR  75          3HG2      THR  75  -2.570  14.775  14.775
  523   3HG2  THR  75          2HG2      THR  75  -3.237  13.855  13.855
  524    H    ALA  76           H        ALA  76  -3.825  11.586  11.586
  525    HA   ALA  76           HA       ALA  76  -1.122  12.867  12.867
  526   1HB   ALA  76          2HB       ALA  76  -2.079  10.108  10.108
  527   2HB   ALA  76          1HB       ALA  76  -1.215  10.654  10.654
  528   3HB   ALA  76          3HB       ALA  76  -0.425  10.698  10.698
  529    H    GLU  77           H        GLU  77  -3.439  14.241  14.241
  530    HA   GLU  77           HA       GLU  77  -4.645  15.070  15.070
  531   1HB   GLU  77          2HB       GLU  77  -3.034  15.849  15.849
  532   2HB   GLU  77          1HB       GLU  77  -2.423  16.145  16.145
  533   1HG   GLU  77          2HG       GLU  77  -0.949  14.256  14.256
  534   2HG   GLU  77          1HG       GLU  77  -1.705  13.682  13.682
  535    H    LEU  78           H        LEU  78  -5.427  12.644  12.644
  536    HA   LEU  78           HA       LEU  78  -5.006  10.492  10.492
  537   1HB   LEU  78          2HB       LEU  78  -7.187  11.827  11.827
  538   2HB   LEU  78          1HB       LEU  78  -7.632  11.577  11.577
  539    HG   LEU  78           HG       LEU  78  -6.958   9.168   9.168
  540   1HD1  LEU  78          1HD1      LEU  78  -6.082  10.194  10.194
  541   2HD1  LEU  78          3HD1      LEU  78  -7.182   8.832   8.832
  542   3HD1  LEU  78          2HD1      LEU  78  -5.718   8.647   8.647
  543   1HD2  LEU  78          3HD2      LEU  78  -9.220  10.515  10.515
  544   2HD2  LEU  78          2HD2      LEU  78  -9.222   9.184   9.184
  545   3HD2  LEU  78          1HD2      LEU  78  -8.922   8.867   8.867
  546    H    LYS  79           H        LYS  79  -4.651   9.900   9.900
  547    HA   LYS  79           HA       LYS  79  -4.846  12.009  12.009
  548   1HB   LYS  79          2HB       LYS  79  -3.466   9.335   9.335
  549   2HB   LYS  79          1HB       LYS  79  -3.082  10.832  10.832
  550   1HG   LYS  79          2HG       LYS  79  -2.416  11.866  11.866
  551   2HG   LYS  79          1HG       LYS  79  -2.725  10.345  10.345
  552   1HD   LYS  79          2HD       LYS  79  -0.665   9.661   9.661
  553   2HD   LYS  79          1HD       LYS  79  -1.093   9.765   9.765
  554   1HE   LYS  79          2HE       LYS  79  -0.752  12.362  12.362
  555   2HE   LYS  79          1HE       LYS  79   0.338  11.747  11.747
  556   1HZ   LYS  79          3HZ       LYS  79   1.344  10.276  10.276
  557   2HZ   LYS  79          2HZ       LYS  79   0.361  10.966  10.966
  558   3HZ   LYS  79          1HZ       LYS  79   1.535  11.910  11.910
  559    HA   PRO  80           HA       PRO  80  -7.995   9.750   9.750
  560   1HB   PRO  80          2HB       PRO  80  -7.077   9.475   9.475
  561   2HB   PRO  80          1HB       PRO  80  -7.679  11.012  11.012
  562   1HG   PRO  80          2HG       PRO  80  -4.876  10.070  10.070
  563   2HG   PRO  80          1HG       PRO  80  -5.570  11.678  11.678
  564   1HD   PRO  80          2HD       PRO  80  -4.128  11.050  11.050
  565   2HD   PRO  80          1HD       PRO  80  -5.434  12.253  12.253
  566    H    ASN  81           H        ASN  81  -4.722   8.506   8.506
  567    HA   ASN  81           HA       ASN  81  -5.791   5.752   5.752
  568   1HB   ASN  81          2HB       ASN  81  -3.397   5.336   5.336
  569   2HB   ASN  81          1HB       ASN  81  -4.192   6.569   6.569
  570   1HD2  ASN  81          2HD2      ASN  81  -0.866   7.894   7.894
  571   2HD2  ASN  81          1HD2      ASN  81  -1.347   6.530   6.530
  572    H    SER  82           H        SER  82  -4.746   7.684   7.684
  573    HA   SER  82           HA       SER  82  -2.928   6.192   6.192
  574   1HB   SER  82          2HB       SER  82  -5.459   7.624   7.624
  575   2HB   SER  82          1HB       SER  82  -4.161   7.160   7.160
  576    HG   SER  82           HG       SER  82  -2.890   8.362   8.362
  577    H    ARG  83           H        ARG  83  -3.304   4.681   4.681
  578    HA   ARG  83           HA       ARG  83  -5.781   3.256   3.256
  579   1HB   ARG  83          2HB       ARG  83  -4.203   2.592   2.592
  580   2HB   ARG  83          1HB       ARG  83  -4.085   1.251   1.251
  581   1HG   ARG  83          2HG       ARG  83  -6.105   0.569   0.569
  582   2HG   ARG  83          1HG       ARG  83  -6.782   2.002   2.002
  583   1HD   ARG  83          2HD       ARG  83  -7.462   2.606   2.606
  584   2HD   ARG  83          1HD       ARG  83  -5.757   2.975   2.975
  585    HE   ARG  83           HE       ARG  83  -6.157   0.158   0.158
  586   1HH1  ARG  83          1HH1      ARG  83  -4.939   2.332   2.332
  587   2HH1  ARG  83          2HH1      ARG  83  -5.903   2.057   2.057
  588   1HH2  ARG  83          1HH2      ARG  83  -8.275   0.155   0.155
  589   2HH2  ARG  83          2HH2      ARG  83  -7.793   0.825   0.825
  590    H    LEU  84           H        LEU  84  -5.417   1.301   1.301
  591    HA   LEU  84           HA       LEU  84  -3.284   1.772   1.772
  592   1HB   LEU  84          2HB       LEU  84  -5.882   0.588   0.588
  593   2HB   LEU  84          1HB       LEU  84  -4.740  -0.695  -0.695
  594    HG   LEU  84           HG       LEU  84  -5.137   1.897   1.897
  595   1HD1  LEU  84          1HD1      LEU  84  -6.225  -0.752  -0.752
  596   2HD1  LEU  84          3HD1      LEU  84  -5.206  -0.509  -0.509
  597   3HD1  LEU  84          2HD1      LEU  84  -6.557   0.603   0.603
  598   1HD2  LEU  84          3HD2      LEU  84  -2.730   1.113   1.113
  599   2HD2  LEU  84          2HD2      LEU  84  -3.346   1.130   1.130
  600   3HD2  LEU  84          1HD2      LEU  84  -3.232  -0.393  -0.393
  601    H    SER  85           H        SER  85  -1.546   0.272   0.272
  602    HA   SER  85           HA       SER  85  -0.346  -1.119  -1.119
  603   1HB   SER  85          2HB       SER  85  -0.389  -1.845  -1.845
  604   2HB   SER  85          1HB       SER  85   0.784  -2.419  -2.419
  605    HG   SER  85           HG       SER  85   1.301  -0.475  -0.475
  606    H    CYS  86           H        CYS  86  -3.005  -1.882  -1.882
  607    HA   CYS  86           HA       CYS  86  -3.342  -4.631  -4.631
  608   1HB   CYS  86          2HB       CYS  86  -4.968  -4.753  -4.753
  609   2HB   CYS  86          1HB       CYS  86  -3.259  -4.602  -4.602
  610    H    GLN  87           H        GLN  87  -4.105  -2.449  -2.449
  611    HA   GLN  87           HA       GLN  87  -7.074  -2.706  -2.706
  612   1HB   GLN  87          2HB       GLN  87  -6.202  -0.454  -0.454
  613   2HB   GLN  87          1HB       GLN  87  -5.417  -0.367  -0.367
  614   1HG   GLN  87          2HG       GLN  87  -7.632   0.789   0.789
  615   2HG   GLN  87          1HG       GLN  87  -7.574  -0.538  -0.538
  616   1HE2  GLN  87          2HE2      GLN  87  -9.318  -1.864  -1.864
  617   2HE2  GLN  87          1HE2      GLN  87  -7.697  -1.354  -1.354
  618    H    ILE  88           H        ILE  88  -4.256  -2.361  -2.361
  619    HA   ILE  88           HA       ILE  88  -5.899  -3.004  -3.004
  620    HB   ILE  88           HB       ILE  88  -2.979  -2.708  -2.708
  621   1HG1  ILE  88          2HG1      ILE  88  -4.699  -0.485  -0.485
  622   2HG1  ILE  88          1HG1      ILE  88  -3.175  -1.102  -1.102
  623   1HG2  ILE  88          2HG2      ILE  88  -5.387  -1.378  -1.378
  624   2HG2  ILE  88          1HG2      ILE  88  -3.720  -1.151  -1.151
  625   3HG2  ILE  88          3HG2      ILE  88  -4.475  -2.739  -2.739
  626   1HD1  ILE  88          3HD1      ILE  88  -2.043  -0.314  -0.314
  627   2HD1  ILE  88          2HD1      ILE  88  -3.565   0.432   0.432
  628   3HD1  ILE  88          1HD1      ILE  88  -2.730   0.998   0.998
  629    H    ILE  89           H        ILE  89  -5.520  -4.820  -4.820
  630    HA   ILE  89           HA       ILE  89  -3.970  -7.024  -7.024
  631    HB   ILE  89           HB       ILE  89  -6.427  -6.863  -6.863
  632   1HG1  ILE  89          2HG1      ILE  89  -6.942  -6.676  -6.676
  633   2HG1  ILE  89          1HG1      ILE  89  -7.305  -8.344  -8.344
  634   1HG2  ILE  89          1HG2      ILE  89  -4.894  -8.638  -8.638
  635   2HG2  ILE  89          3HG2      ILE  89  -4.910  -9.370  -9.370
  636   3HG2  ILE  89          2HG2      ILE  89  -6.396  -9.289  -9.289
  637   1HD1  ILE  89          2HD1      ILE  89  -4.927  -8.909  -8.909
  638   2HD1  ILE  89          1HD1      ILE  89  -4.887  -7.300  -7.300
  639   3HD1  ILE  89          3HD1      ILE  89  -6.071  -8.483  -8.483
  640    H    MET  90           H        MET  90  -2.842  -8.476  -8.476
  641    HA   MET  90           HA       MET  90  -1.956  -6.867  -6.867
  642   1HB   MET  90          2HB       MET  90  -0.511  -7.925  -7.925
  643   2HB   MET  90          1HB       MET  90  -0.401  -9.229  -9.229
  644   1HG   MET  90          2HG       MET  90   0.637  -6.419  -6.419
  645   2HG   MET  90          1HG       MET  90   1.425  -7.929  -7.929
  646   1HE   MET  90          3HE       MET  90   1.435  -5.332  -5.332
  647   2HE   MET  90          2HE       MET  90   1.616  -5.752  -5.752
  648   3HE   MET  90          1HE       MET  90   0.217  -4.815  -4.815
  649    H    THR  91           H        THR  91  -2.602  -7.603  -7.603
  650    HA   THR  91           HA       THR  91  -3.459 -10.470 -10.470
  651    HB   THR  91           HB       THR  91  -5.037  -9.721  -9.721
  652    HG1  THR  91          1HG       THR  91  -4.832  -7.714  -7.714
  653   1HG2  THR  91          3HG2      THR  91  -4.647  -7.467  -7.467
  654   2HG2  THR  91          2HG2      THR  91  -6.089  -7.683  -7.683
  655   3HG2  THR  91          1HG2      THR  91  -5.659  -8.895  -8.895
  656    HA   PRO  92           HA       PRO  92  -0.297 -11.238 -11.238
  657   1HB   PRO  92          2HB       PRO  92  -1.553 -12.721 -12.721
  658   2HB   PRO  92          1HB       PRO  92  -1.176 -13.343 -13.343
  659   1HG   PRO  92          2HG       PRO  92  -3.756 -12.361 -12.361
  660   2HG   PRO  92          1HG       PRO  92  -3.438 -13.681 -13.681
  661   1HD   PRO  92          2HD       PRO  92  -4.353 -11.202 -11.202
  662   2HD   PRO  92          1HD       PRO  92  -3.458 -12.297 -12.297
  663    H    GLU  93           H        GLU  93  -2.810  -9.161  -9.161
  664    HA   GLU  93           HA       GLU  93  -1.641  -8.633  -8.633
  665   1HB   GLU  93          2HB       GLU  93  -3.811  -7.570  -7.570
  666   2HB   GLU  93          1HB       GLU  93  -4.056  -9.207  -9.207
  667   1HG   GLU  93          2HG       GLU  93  -4.913  -8.480  -8.480
  668   2HG   GLU  93          1HG       GLU  93  -3.950  -7.002  -7.002
  669    H    LEU  94           H        LEU  94  -2.196  -7.295  -7.295
  670    HA   LEU  94           HA       LEU  94  -1.456  -4.539  -4.539
  671   1HB   LEU  94          2HB       LEU  94  -2.118  -5.798  -5.798
  672   2HB   LEU  94          1HB       LEU  94  -2.002  -4.070  -4.070
  673    HG   LEU  94           HG       LEU  94  -4.125  -6.013  -6.013
  674   1HD1  LEU  94          2HD1      LEU  94  -4.005  -3.163  -3.163
  675   2HD1  LEU  94          1HD1      LEU  94  -5.501  -3.905  -3.905
  676   3HD1  LEU  94          3HD1      LEU  94  -4.661  -4.574  -4.574
  677   1HD2  LEU  94          2HD2      LEU  94  -3.209  -5.147  -5.147
  678   2HD2  LEU  94          1HD2      LEU  94  -4.849  -4.558  -4.558
  679   3HD2  LEU  94          3HD2      LEU  94  -3.464  -3.500  -3.500
  680    H    ASP  95           H        ASP  95   0.432  -6.739  -6.739
  681    HA   ASP  95           HA       ASP  95   2.256  -6.547  -6.547
  682   1HB   ASP  95          2HB       ASP  95   3.602  -8.033  -8.033
  683   2HB   ASP  95          1HB       ASP  95   1.963  -8.602  -8.602
  684    H    GLY  96           H        GLY  96   4.220  -5.532  -5.532
  685   1HA   GLY  96          2HA       GLY  96   6.100  -4.288  -4.288
  686   2HA   GLY  96          1HA       GLY  96   5.019  -3.790  -3.790
  687    H    ILE  97           H        ILE  97   3.713  -3.833  -3.833
  688    HA   ILE  97           HA       ILE  97   3.035  -1.053  -1.053
  689    HB   ILE  97           HB       ILE  97   1.577  -2.713  -2.713
  690   1HG1  ILE  97          2HG1      ILE  97   2.554  -0.929  -0.929
  691   2HG1  ILE  97          1HG1      ILE  97   1.724  -0.266  -0.266
  692   1HG2  ILE  97          2HG2      ILE  97   3.815  -2.976  -2.976
  693   2HG2  ILE  97          1HG2      ILE  97   2.206  -3.674  -3.674
  694   3HG2  ILE  97          3HG2      ILE  97   3.257  -4.224  -4.224
  695   1HD1  ILE  97          2HD1      ILE  97  -0.003  -2.211  -2.211
  696   2HD1  ILE  97          1HD1      ILE  97   0.666  -2.019  -2.019
  697   3HD1  ILE  97          3HD1      ILE  97  -0.094  -0.649  -0.649
  698    H    VAL  98           H        VAL  98   3.422   0.531   0.531
  699    HA   VAL  98           HA       VAL  98   6.038   0.444   0.444
  700    HB   VAL  98           HB       VAL  98   4.699   2.784   2.784
  701   1HG1  VAL  98          1HG1      VAL  98   7.006   2.482   2.482
  702   2HG1  VAL  98          3HG1      VAL  98   7.463   3.172   3.172
  703   3HG1  VAL  98          2HG1      VAL  98   6.224   3.954   3.954
  704   1HG2  VAL  98          1HG2      VAL  98   6.945   0.946   0.946
  705   2HG2  VAL  98          3HG2      VAL  98   5.342   1.068   1.068
  706   3HG2  VAL  98          2HG2      VAL  98   6.461   2.427   2.427
  707    H    VAL  99           H        VAL  99   5.624   0.693   0.693
  708    HA   VAL  99           HA       VAL  99   3.032   1.966   1.966
  709    HB   VAL  99           HB       VAL  99   4.924   0.742   0.742
  710   1HG1  VAL  99          3HG1      VAL  99   2.006   1.142   1.142
  711   2HG1  VAL  99          2HG1      VAL  99   2.512  -0.318  -0.318
  712   3HG1  VAL  99          1HG1      VAL  99   3.027   1.274   1.274
  713   1HG2  VAL  99          2HG2      VAL  99   3.921  -0.658  -0.658
  714   2HG2  VAL  99          1HG2      VAL  99   5.121  -1.145  -1.145
  715   3HG2  VAL  99          3HG2      VAL  99   3.412  -1.401  -1.401
  716    H    ASP 100           H        ASP 100   3.413   2.928   2.928
  717    HA   ASP 100           HA       ASP 100   5.936   4.289   4.289
  718   1HB   ASP 100          2HB       ASP 100   3.459   5.873   5.873
  719   2HB   ASP 100          1HB       ASP 100   4.971   6.575   6.575
  720    H    VAL 101           H        VAL 101   6.128   4.850   4.850
  721    HA   VAL 101           HA       VAL 101   3.720   4.304   4.304
  722    HB   VAL 101           HB       VAL 101   6.621   4.594   4.594
  723   1HG1  VAL 101          2HG1      VAL 101   4.379   4.533   4.533
  724   2HG1  VAL 101          1HG1      VAL 101   4.708   2.805   2.805
  725   3HG1  VAL 101          3HG1      VAL 101   5.934   3.885   3.885
  726   1HG2  VAL 101          2HG2      VAL 101   5.687   2.670   2.670
  727   2HG2  VAL 101          1HG2      VAL 101   7.056   2.451   2.451
  728   3HG2  VAL 101          3HG2      VAL 101   5.454   1.887   1.887
  729    HA   PRO 102           HA       PRO 102   3.498   8.748   8.748
  730   1HB   PRO 102          2HB       PRO 102   1.356   8.782   8.782
  731   2HB   PRO 102          1HB       PRO 102   1.207   8.548   8.548
  732   1HG   PRO 102          2HG       PRO 102   1.206   6.514   6.514
  733   2HG   PRO 102          1HG       PRO 102   0.188   6.621   6.621
  734   1HD   PRO 102          2HD       PRO 102   2.288   4.942   4.942
  735   2HD   PRO 102          1HD       PRO 102   1.816   5.743   5.743
  736    H    ASP 103           H        ASP 103   3.555  10.321  10.321
  737    HA   ASP 103           HA       ASP 103   5.162   9.027   9.027
  738   1HB   ASP 103          2HB       ASP 103   5.967  11.455  11.455
  739   2HB   ASP 103          1HB       ASP 103   6.469  10.588  10.588
  740    H    ARG 104           H        ARG 104   3.084   8.487   8.487
  741    HA   ARG 104           HA       ARG 104   1.855  10.843  10.843
  742   1HB   ARG 104          2HB       ARG 104   0.898   8.024   8.024
  743   2HB   ARG 104          1HB       ARG 104  -0.004   9.193   9.193
  744   1HG   ARG 104          2HG       ARG 104   0.825   9.528   9.528
  745   2HG   ARG 104          1HG       ARG 104  -0.814   9.255   9.255
  746   1HD   ARG 104          2HD       ARG 104  -0.897  11.558  11.558
  747   2HD   ARG 104          1HD       ARG 104  -0.142  11.432  11.432
  748    HE   ARG 104           HE       ARG 104   1.987  11.939  11.939
  749   1HH1  ARG 104          1HH1      ARG 104   1.815  10.441  10.441
  750   2HH1  ARG 104          2HH1      ARG 104   1.644  11.698  11.698
  751   1HH2  ARG 104          1HH2      ARG 104   0.736  14.112  14.112
  752   2HH2  ARG 104          2HH2      ARG 104   1.033  13.775  13.775
  753    H    GLN 105           H        GLN 105   3.572  10.938  10.938
  754    HA   GLN 105           HA       GLN 105   3.549   8.624   8.624
  755   1HB   GLN 105          2HB       GLN 105   5.735  10.679  10.679
  756   2HB   GLN 105          1HB       GLN 105   5.859   9.140   9.140
  757   1HG   GLN 105          2HG       GLN 105   5.558   7.900   7.900
  758   2HG   GLN 105          1HG       GLN 105   5.208   9.381   9.381
  759   1HE2  GLN 105          2HE2      GLN 105   8.711  10.498  10.498
  760   2HE2  GLN 105          1HE2      GLN 105   7.165  11.134  11.134
  761    H    TRP 106           H        TRP 106   2.209  11.555  11.555
  762    HA   TRP 106           HA       TRP 106   2.923  13.089  13.089
  763   1HB   TRP 106          2HB       TRP 106   1.170  13.224  13.224
  764   2HB   TRP 106          1HB       TRP 106   0.080  13.092  13.092
  765    HD1  TRP 106           HD       TRP 106  -0.098  15.110  15.110
  766    HE1  TRP 106          1HE       TRP 106   0.871  17.498  17.498
  767    HE3  TRP 106          3HE       TRP 106   3.341  14.648  14.648
  768    HZ2  TRP 106          2HZ       TRP 106   2.846  19.014  19.014
  769    HZ3  TRP 106          3HZ       TRP 106   4.753  16.578  16.578
  770    HH2  TRP 106           HH       TRP 106   4.509  18.758  18.758

  Start of MODEL   11
    1   1H    SER   1          3HT       SER   1   3.003 -11.427 -11.427
    2   2H    SER   1          2HT       SER   1   1.369 -10.983 -10.983
    3   3H    SER   1          1HT       SER   1   1.977 -11.525 -11.525
    4    HA   SER   1           HA       SER   1   2.789  -9.517  -9.517
    5   1HB   SER   1          2HB       SER   1   1.564  -7.882  -7.882
    6   2HB   SER   1          1HB       SER   1   0.821  -8.461  -8.461
    7    HG   SER   1           HG       SER   1  -0.502  -9.362  -9.362
    8    H    LYS   2           H        LYS   2   4.485  -8.083  -8.083
    9    HA   LYS   2           HA       LYS   2   6.160  -8.524  -8.524
   10   1HB   LYS   2          2HB       LYS   2   6.717  -8.040  -8.040
   11   2HB   LYS   2          1HB       LYS   2   6.534  -6.354  -6.354
   12   1HG   LYS   2          2HG       LYS   2   8.423  -6.384  -6.384
   13   2HG   LYS   2          1HG       LYS   2   8.192  -8.066  -8.066
   14   1HD   LYS   2          2HD       LYS   2   9.155  -7.122  -7.122
   15   2HD   LYS   2          1HD       LYS   2  10.165  -7.838  -7.838
   16   1HE   LYS   2          2HE       LYS   2   8.479  -9.834  -9.834
   17   2HE   LYS   2          1HE       LYS   2   8.044  -9.158  -9.158
   18   1HZ   LYS   2          3HZ       LYS   2  10.651  -8.972  -8.972
   19   2HZ   LYS   2          2HZ       LYS   2  10.593 -10.279 -10.279
   20   3HZ   LYS   2          1HZ       LYS   2   9.838 -10.396 -10.396
   21    H    VAL   3           H        VAL   3   6.301  -7.107  -7.107
   22    HA   VAL   3           HA       VAL   3   4.701  -4.576  -4.576
   23    HB   VAL   3           HB       VAL   3   4.755  -6.790  -6.790
   24   1HG1  VAL   3          1HG1      VAL   3   4.802  -3.923  -3.923
   25   2HG1  VAL   3          3HG1      VAL   3   3.440  -4.806  -4.806
   26   3HG1  VAL   3          2HG1      VAL   3   5.097  -5.331  -5.331
   27   1HG2  VAL   3          1HG2      VAL   3   2.681  -4.995  -4.995
   28   2HG2  VAL   3          3HG2      VAL   3   2.881  -6.734  -6.734
   29   3HG2  VAL   3          2HG2      VAL   3   2.298  -6.095  -6.095
   30    H    VAL   4           H        VAL   4   5.765  -2.745  -2.745
   31    HA   VAL   4           HA       VAL   4   8.333  -3.139  -3.139
   32    HB   VAL   4           HB       VAL   4   7.717  -1.469  -1.469
   33   1HG1  VAL   4          3HG1      VAL   4   9.525  -0.884  -0.884
   34   2HG1  VAL   4          2HG1      VAL   4  10.430  -1.160  -1.160
   35   3HG1  VAL   4          1HG1      VAL   4   9.175   0.079   0.079
   36   1HG2  VAL   4          2HG2      VAL   4   8.887  -4.014  -4.014
   37   2HG2  VAL   4          1HG2      VAL   4   8.782  -3.116  -3.116
   38   3HG2  VAL   4          3HG2      VAL   4  10.191  -2.924  -2.924
   39    H    TYR   5           H        TYR   5   8.402  -2.107  -2.107
   40    HA   TYR   5           HA       TYR   5   6.377  -0.077  -0.077
   41   1HB   TYR   5          2HB       TYR   5   8.471  -1.673  -1.673
   42   2HB   TYR   5          1HB       TYR   5   7.265  -0.686  -0.686
   43    HD1  TYR   5          2HD       TYR   5   4.846  -1.179  -1.179
   44    HD2  TYR   5          1HD       TYR   5   7.990  -3.886  -3.886
   45    HE1  TYR   5          2HE       TYR   5   3.245  -3.061  -3.061
   46    HE2  TYR   5          1HE       TYR   5   6.387  -5.752  -5.752
   47    HH   TYR   5           HH       TYR   5   4.118  -6.211  -6.211
   48    H    VAL   6           H        VAL   6   6.885   2.034   2.034
   49    HA   VAL   6           HA       VAL   6   9.828   2.726   2.726
   50    HB   VAL   6           HB       VAL   6   7.615   4.581   4.581
   51   1HG1  VAL   6          2HG1      VAL   6  10.081   5.254   5.254
   52   2HG1  VAL   6          1HG1      VAL   6  10.474   4.654   4.654
   53   3HG1  VAL   6          3HG1      VAL   6   9.330   5.982   5.982
   54   1HG2  VAL   6          1HG2      VAL   6   7.791   2.430   2.430
   55   2HG2  VAL   6          3HG2      VAL   6   8.023   3.923   3.923
   56   3HG2  VAL   6          2HG2      VAL   6   9.418   2.948   2.948
   57    H    SER   7           H        SER   7  10.389   4.464   4.464
   58    HA   SER   7           HA       SER   7   8.370   4.863   4.863
   59   1HB   SER   7          2HB       SER   7  10.299   4.856   4.856
   60   2HB   SER   7          1HB       SER   7  10.294   3.385   3.385
   61    HG   SER   7           HG       SER   7  11.722   4.596   4.596
   62    H    HIS   8           H        HIS   8   8.113   6.969   6.969
   63    HA   HIS   8           HA       HIS   8   8.488   9.177   9.177
   64   1HB   HIS   8          2HB       HIS   8   8.535  10.409  10.409
   65   2HB   HIS   8          1HB       HIS   8   7.128   9.452   9.452
   66    HD1  HIS   8          1HD       HIS   8   6.388   8.116   8.116
   67    HD2  HIS   8          2HD       HIS   8  10.530   8.414   8.414
   68    HE1  HIS   8          1HE       HIS   8   7.206   6.750   6.750
   69    H    ASP   9           H        ASP   9  10.935   7.578   7.578
   70    HA   ASP   9           HA       ASP   9  12.830   9.831   9.831
   71   1HB   ASP   9          2HB       ASP   9  14.173   8.505   8.505
   72   2HB   ASP   9          1HB       ASP   9  12.510   8.249   8.249
   73    H    GLY  10           H        GLY  10  11.823   7.342   7.342
   74   1HA   GLY  10          2HA       GLY  10  12.822   7.198   7.198
   75   2HA   GLY  10          1HA       GLY  10  14.399   7.449   7.449
   76    H    THR  11           H        THR  11  13.858   5.561   5.561
   77    HA   THR  11           HA       THR  11  14.963   3.213   3.213
   78    HB   THR  11           HB       THR  11  13.796   4.219   4.219
   79    HG1  THR  11          1HG       THR  11  15.917   3.301   3.301
   80   1HG2  THR  11          3HG2      THR  11  11.951   2.552   2.552
   81   2HG2  THR  11          2HG2      THR  11  13.163   1.291   1.291
   82   3HG2  THR  11          1HG2      THR  11  12.715   2.329   2.329
   83    H    ARG  12           H        ARG  12  14.189   1.608   1.608
   84    HA   ARG  12           HA       ARG  12  11.228   1.411   1.411
   85   1HB   ARG  12          2HB       ARG  12  13.541   1.778   1.778
   86   2HB   ARG  12          1HB       ARG  12  12.517   0.433   0.433
   87   1HG   ARG  12          2HG       ARG  12  10.532   1.971   1.971
   88   2HG   ARG  12          1HG       ARG  12  11.660   3.299   3.299
   89   1HD   ARG  12          2HD       ARG  12  12.615   1.933   1.933
   90   2HD   ARG  12          1HD       ARG  12  10.864   2.124   2.124
   91    HE   ARG  12           HE       ARG  12  12.101   4.533   4.533
   92   1HH1  ARG  12          1HH2      ARG  12   9.959   5.115   5.115
   93   2HH1  ARG  12          2HH2      ARG  12  10.655   5.401   5.401
   94   1HH2  ARG  12          1HH1      ARG  12  13.661   3.849   3.849
   95   2HH2  ARG  12          2HH1      ARG  12  12.751   4.683   4.683
   96    H    ARG  13           H        ARG  13  10.405  -0.721  -0.721
   97    HA   ARG  13           HA       ARG  13  12.293  -2.992  -2.992
   98   1HB   ARG  13          2HB       ARG  13   9.970  -3.790  -3.790
   99   2HB   ARG  13          1HB       ARG  13  11.409  -3.198  -3.198
  100   1HG   ARG  13          2HG       ARG  13   9.826  -0.940  -0.940
  101   2HG   ARG  13          1HG       ARG  13   8.789  -2.092  -2.092
  102   1HD   ARG  13          2HD       ARG  13  11.339  -0.821  -0.821
  103   2HD   ARG  13          1HD       ARG  13   9.702  -0.696  -0.696
  104    HE   ARG  13           HE       ARG  13  10.348  -3.454  -3.454
  105   1HH1  ARG  13          1HH1      ARG  13  10.054  -0.983  -0.983
  106   2HH1  ARG  13          2HH1      ARG  13  11.152  -1.626  -1.626
  107   1HH2  ARG  13          1HH2      ARG  13  12.331  -4.133  -4.133
  108   2HH2  ARG  13          2HH2      ARG  13  12.440  -3.410  -3.410
  109    H    GLU  14           H        GLU  14  12.063  -4.313  -4.313
  110    HA   GLU  14           HA       GLU  14   9.380  -4.373  -4.373
  111   1HB   GLU  14          2HB       GLU  14  12.068  -5.031  -5.031
  112   2HB   GLU  14          1HB       GLU  14  10.578  -4.594  -4.594
  113   1HG   GLU  14          2HG       GLU  14  11.755  -2.578  -2.578
  114   2HG   GLU  14          1HG       GLU  14  10.787  -2.370  -2.370
  115    H    LEU  15           H        LEU  15   8.331  -6.275  -6.275
  116    HA   LEU  15           HA       LEU  15   9.816  -8.777  -8.777
  117   1HB   LEU  15          2HB       LEU  15   6.991  -7.754  -7.754
  118   2HB   LEU  15          1HB       LEU  15   7.421  -9.437  -9.437
  119    HG   LEU  15           HG       LEU  15   9.275  -8.431  -8.431
  120   1HD1  LEU  15          3HD1      LEU  15   7.515  -6.151  -6.151
  121   2HD1  LEU  15          2HD1      LEU  15   8.144  -6.302  -6.302
  122   3HD1  LEU  15          1HD1      LEU  15   9.261  -6.177  -6.177
  123   1HD2  LEU  15          1HD2      LEU  15   7.182  -9.635  -9.635
  124   2HD2  LEU  15          3HD2      LEU  15   7.772  -8.409  -8.409
  125   3HD2  LEU  15          2HD2      LEU  15   6.406  -8.052  -8.052
  126    H    ASP  16           H        ASP  16   8.286 -10.664 -10.664
  127    HA   ASP  16           HA       ASP  16   7.596 -10.236 -10.236
  128   1HB   ASP  16          2HB       ASP  16   9.574 -11.639 -11.639
  129   2HB   ASP  16          1HB       ASP  16   8.856 -12.571 -12.571
  130    H    VAL  17           H        VAL  17   5.410  -9.808  -9.808
  131    HA   VAL  17           HA       VAL  17   3.978 -11.763 -11.763
  132    HB   VAL  17           HB       VAL  17   3.011  -9.188  -9.188
  133   1HG1  VAL  17          3HG1      VAL  17   2.226 -10.705 -10.705
  134   2HG1  VAL  17          2HG1      VAL  17   1.556  -9.147  -9.147
  135   3HG1  VAL  17          1HG1      VAL  17   1.275 -10.579 -10.579
  136   1HG2  VAL  17          1HG2      VAL  17   4.655  -9.659  -9.659
  137   2HG2  VAL  17          3HG2      VAL  17   5.027  -8.596  -8.596
  138   3HG2  VAL  17          2HG2      VAL  17   3.711  -8.190  -8.190
  139    H    ALA  18           H        ALA  18   1.712 -12.326 -12.326
  140    HA   ALA  18           HA       ALA  18   1.632 -12.731 -12.731
  141   1HB   ALA  18          1HB       ALA  18   2.477 -14.723 -14.723
  142   2HB   ALA  18          3HB       ALA  18   0.969 -14.755 -14.755
  143   3HB   ALA  18          2HB       ALA  18   0.950 -15.040 -15.040
  144    H    ASP  19           H        ASP  19  -0.795 -14.436 -14.436
  145    HA   ASP  19           HA       ASP  19  -2.753 -12.236 -12.236
  146   1HB   ASP  19          2HB       ASP  19  -4.085 -13.713 -13.713
  147   2HB   ASP  19          1HB       ASP  19  -2.447 -14.112 -14.112
  148    H    GLY  20           H        GLY  20  -3.843 -11.887 -11.887
  149   1HA   GLY  20          2HA       GLY  20  -5.394 -12.802 -12.802
  150   2HA   GLY  20          1HA       GLY  20  -4.330 -14.200 -14.200
  151    H    VAL  21           H        VAL  21  -2.159 -11.796 -11.796
  152    HA   VAL  21           HA       VAL  21  -1.954 -11.595 -11.595
  153    HB   VAL  21           HB       VAL  21  -0.032 -10.826 -10.826
  154   1HG1  VAL  21          2HG1      VAL  21   0.297 -11.172 -11.172
  155   2HG1  VAL  21          1HG1      VAL  21   1.640 -10.962 -10.962
  156   3HG1  VAL  21          3HG1      VAL  21   0.457  -9.672  -9.672
  157   1HG2  VAL  21          3HG2      VAL  21  -0.586 -13.400 -13.400
  158   2HG2  VAL  21          2HG2      VAL  21  -0.033 -13.122 -13.122
  159   3HG2  VAL  21          1HG2      VAL  21   1.104 -12.988 -12.988
  160    H    SER  22           H        SER  22  -1.147  -9.488  -9.488
  161    HA   SER  22           HA       SER  22  -2.370  -7.149  -7.149
  162   1HB   SER  22          2HB       SER  22  -2.205  -6.698  -6.698
  163   2HB   SER  22          1HB       SER  22  -3.661  -6.984  -6.984
  164    HG   SER  22           HG       SER  22  -3.601  -8.596  -8.596
  165    H    LEU  23           H        LEU  23  -1.233  -5.012  -5.012
  166    HA   LEU  23           HA       LEU  23   1.606  -5.234  -5.234
  167   1HB   LEU  23          2HB       LEU  23  -0.045  -2.960  -2.960
  168   2HB   LEU  23          1HB       LEU  23   1.592  -2.829  -2.829
  169    HG   LEU  23           HG       LEU  23  -0.943  -3.077  -3.077
  170   1HD1  LEU  23          3HD1      LEU  23   0.805  -1.095  -1.095
  171   2HD1  LEU  23          2HD1      LEU  23   1.615  -1.932  -1.932
  172   3HD1  LEU  23          1HD1      LEU  23  -0.037  -1.344  -1.344
  173   1HD2  LEU  23          2HD2      LEU  23   1.626  -4.464  -4.464
  174   2HD2  LEU  23          1HD2      LEU  23  -0.018  -5.093  -5.093
  175   3HD2  LEU  23          3HD2      LEU  23   0.511  -3.877  -3.877
  176    H    MET  24           H        MET  24  -0.465  -5.660  -5.660
  177    HA   MET  24           HA       MET  24   1.572  -5.130  -5.130
  178   1HB   MET  24          2HB       MET  24  -0.566  -4.749  -4.749
  179   2HB   MET  24          1HB       MET  24  -1.265  -6.059  -6.059
  180   1HG   MET  24          2HG       MET  24  -0.949  -7.546  -7.546
  181   2HG   MET  24          1HG       MET  24   0.693  -6.976  -6.976
  182   1HE   MET  24          3HE       MET  24  -1.132  -8.051  -8.051
  183   2HE   MET  24          2HE       MET  24   0.221  -7.261  -7.261
  184   3HE   MET  24          1HE       MET  24  -1.427  -6.936  -6.936
  185    H    GLN  25           H        GLN  25  -0.320  -7.977  -7.977
  186    HA   GLN  25           HA       GLN  25   0.950 -10.006 -10.006
  187   1HB   GLN  25          2HB       GLN  25  -0.979  -9.986  -9.986
  188   2HB   GLN  25          1HB       GLN  25   0.147  -9.852  -9.852
  189   1HG   GLN  25          2HG       GLN  25   0.899 -12.048 -12.048
  190   2HG   GLN  25          1HG       GLN  25   0.434 -12.117 -12.117
  191   1HE2  GLN  25          2HE2      GLN  25  -3.017 -12.008 -12.008
  192   2HE2  GLN  25          1HE2      GLN  25  -2.010 -10.648 -10.648
  193    H    ALA  26           H        ALA  26   1.932  -9.425  -9.425
  194    HA   ALA  26           HA       ALA  26   4.346 -10.832 -10.832
  195   1HB   ALA  26          1HB       ALA  26   3.319  -8.338  -8.338
  196   2HB   ALA  26          3HB       ALA  26   5.036  -8.716  -8.716
  197   3HB   ALA  26          2HB       ALA  26   3.790  -9.873  -9.873
  198    H    ALA  27           H        ALA  27   4.236  -7.306  -7.306
  199    HA   ALA  27           HA       ALA  27   6.784  -6.887  -6.887
  200   1HB   ALA  27          1HB       ALA  27   4.765  -5.331  -5.331
  201   2HB   ALA  27          3HB       ALA  27   4.260  -5.683  -5.683
  202   3HB   ALA  27          2HB       ALA  27   5.796  -4.881  -4.881
  203    H    VAL  28           H        VAL  28   3.846  -7.724  -7.724
  204    HA   VAL  28           HA       VAL  28   4.662  -7.905  -7.905
  205    HB   VAL  28           HB       VAL  28   2.634  -8.855  -8.855
  206   1HG1  VAL  28          2HG1      VAL  28   3.714 -10.942 -10.942
  207   2HG1  VAL  28          1HG1      VAL  28   2.005 -10.917 -10.917
  208   3HG1  VAL  28          3HG1      VAL  28   3.228 -11.132 -11.132
  209   1HG2  VAL  28          3HG2      VAL  28   2.511  -7.399  -7.399
  210   2HG2  VAL  28          2HG2      VAL  28   1.206  -8.555  -8.555
  211   3HG2  VAL  28          1HG2      VAL  28   2.476  -8.917  -8.917
  212    H    SER  29           H        SER  29   4.828 -10.587 -10.587
  213    HA   SER  29           HA       SER  29   6.296 -12.449 -12.449
  214   1HB   SER  29          2HB       SER  29   5.858 -13.480 -13.480
  215   2HB   SER  29          1HB       SER  29   5.431 -11.933 -11.933
  216    HG   SER  29           HG       SER  29   7.188 -12.138 -12.138
  217    H    ASN  30           H        ASN  30   7.432  -9.989  -9.989
  218    HA   ASN  30           HA       ASN  30  10.233 -10.354 -10.354
  219   1HB   ASN  30          2HB       ASN  30   8.255  -8.406  -8.406
  220   2HB   ASN  30          1HB       ASN  30   9.793  -7.693  -7.693
  221   1HD2  ASN  30          2HD2      ASN  30   9.616 -10.337 -10.337
  222   2HD2  ASN  30          1HD2      ASN  30   8.381 -10.352 -10.352
  223    H    GLY  31           H        GLY  31   7.810  -9.268  -9.268
  224   1HA   GLY  31          2HA       GLY  31   8.178  -8.707  -8.707
  225   2HA   GLY  31          1HA       GLY  31   9.878  -8.396  -8.396
  226    H    ILE  32           H        ILE  32   8.539  -6.889  -6.889
  227    HA   ILE  32           HA       ILE  32   9.036  -4.257  -4.257
  228    HB   ILE  32           HB       ILE  32   6.640  -5.415  -5.415
  229   1HG1  ILE  32          2HG1      ILE  32   9.530  -5.001  -5.001
  230   2HG1  ILE  32          1HG1      ILE  32   8.504  -6.406  -6.406
  231   1HG2  ILE  32          3HG2      ILE  32   8.015  -2.722  -2.722
  232   2HG2  ILE  32          2HG2      ILE  32   6.747  -3.316  -3.316
  233   3HG2  ILE  32          1HG2      ILE  32   6.390  -3.006  -3.006
  234   1HD1  ILE  32          3HD1      ILE  32   8.208  -3.727  -3.727
  235   2HD1  ILE  32          2HD1      ILE  32   8.922  -5.167  -5.167
  236   3HD1  ILE  32          1HD1      ILE  32   7.210  -5.146  -5.146
  237    H    TYR  33           H        TYR  33   6.058  -6.028  -6.028
  238    HA   TYR  33           HA       TYR  33   5.191  -3.671  -3.671
  239   1HB   TYR  33          2HB       TYR  33   3.741  -6.022  -6.022
  240   2HB   TYR  33          1HB       TYR  33   2.958  -4.806  -4.806
  241    HD1  TYR  33          2HD       TYR  33   4.252  -2.336  -2.336
  242    HD2  TYR  33          1HD       TYR  33   3.113  -5.614  -5.614
  243    HE1  TYR  33          2HE       TYR  33   4.127  -0.793  -0.793
  244    HE2  TYR  33          1HE       TYR  33   3.003  -4.100  -4.100
  245    HH   TYR  33           HH       TYR  33   4.005  -0.702  -0.702
  246    H    ASP  34           H        ASP  34   7.029  -4.897  -4.897
  247    HA   ASP  34           HA       ASP  34   6.136  -7.138  -7.138
  248   1HB   ASP  34          2HB       ASP  34   7.851  -6.361  -6.361
  249   2HB   ASP  34          1HB       ASP  34   8.449  -6.104  -6.104
  250    H    ILE  35           H        ILE  35   5.114  -3.905  -3.905
  251    HA   ILE  35           HA       ILE  35   3.907  -3.529  -3.529
  252    HB   ILE  35           HB       ILE  35   4.776  -1.715  -1.715
  253   1HG1  ILE  35          2HG1      ILE  35   1.784  -1.388  -1.388
  254   2HG1  ILE  35          1HG1      ILE  35   2.650  -1.500  -1.500
  255   1HG2  ILE  35          2HG2      ILE  35   3.640  -3.168  -3.168
  256   2HG2  ILE  35          1HG2      ILE  35   2.564  -1.781  -1.781
  257   3HG2  ILE  35          3HG2      ILE  35   4.287  -1.534  -1.534
  258   1HD1  ILE  35          3HD1      ILE  35   3.244   0.487   0.487
  259   2HD1  ILE  35          2HD1      ILE  35   2.403   0.854   0.854
  260   3HD1  ILE  35          1HD1      ILE  35   4.100   0.375   0.375
  261    H    VAL  36           H        VAL  36   2.638  -5.673  -5.673
  262    HA   VAL  36           HA       VAL  36   0.128  -5.324  -5.324
  263    HB   VAL  36           HB       VAL  36   1.297  -7.909  -7.909
  264   1HG1  VAL  36          3HG1      VAL  36  -1.039  -7.129  -7.129
  265   2HG1  VAL  36          2HG1      VAL  36  -0.019  -8.159  -8.159
  266   3HG1  VAL  36          1HG1      VAL  36  -0.580  -8.735  -8.735
  267   1HG2  VAL  36          1HG2      VAL  36   2.095  -6.229  -6.229
  268   2HG2  VAL  36          3HG2      VAL  36   3.075  -7.315  -7.315
  269   3HG2  VAL  36          2HG2      VAL  36   2.001  -7.973  -7.973
  270    H    GLY  37           H        GLY  37  -0.496  -4.045  -4.045
  271   1HA   GLY  37          2HA       GLY  37  -1.470  -5.945  -5.945
  272   2HA   GLY  37          1HA       GLY  37  -0.953  -4.299  -4.299
  273    H    ASP  38           H        ASP  38  -2.449  -4.020  -4.020
  274    HA   ASP  38           HA       ASP  38  -5.114  -3.497  -3.497
  275   1HB   ASP  38          2HB       ASP  38  -4.093  -2.035  -2.035
  276   2HB   ASP  38          1HB       ASP  38  -5.199  -1.475  -1.475
  277    H    CYS  39           H        CYS  39  -3.782  -3.741  -3.741
  278    HA   CYS  39           HA       CYS  39  -6.153  -4.859  -4.859
  279   1HB   CYS  39          2HB       CYS  39  -4.497  -5.289  -5.289
  280   2HB   CYS  39          1HB       CYS  39  -4.562  -3.641  -3.641
  281    H    GLY  40           H        GLY  40  -3.147  -6.328  -6.328
  282   1HA   GLY  40          2HA       GLY  40  -2.563  -8.609  -8.609
  283   2HA   GLY  40          1HA       GLY  40  -4.251  -8.814  -8.814
  284    H    GLY  41           H        GLY  41  -3.365  -7.501  -7.501
  285   1HA   GLY  41          2HA       GLY  41  -3.443  -8.440  -8.440
  286   2HA   GLY  41          1HA       GLY  41  -3.695 -10.029 -10.029
  287    H    SER  42           H        SER  42  -5.635  -7.149  -7.149
  288    HA   SER  42           HA       SER  42  -7.884  -8.332  -8.332
  289   1HB   SER  42          2HB       SER  42  -9.226  -8.558  -8.558
  290   2HB   SER  42          1HB       SER  42  -7.641  -8.930  -8.930
  291    HG   SER  42           HG       SER  42  -8.288  -7.379  -7.379
  292    H    ALA  43           H        ALA  43  -6.084  -5.666  -5.666
  293    HA   ALA  43           HA       ALA  43  -6.444  -3.455  -3.455
  294   1HB   ALA  43          3HB       ALA  43  -8.076  -4.843  -4.843
  295   2HB   ALA  43          2HB       ALA  43  -9.321  -4.183  -4.183
  296   3HB   ALA  43          1HB       ALA  43  -8.309  -3.101  -3.101
  297    H    SER  44           H        SER  44  -6.373  -3.561  -3.561
  298    HA   SER  44           HA       SER  44  -8.566  -1.742  -1.742
  299   1HB   SER  44          2HB       SER  44  -7.327  -3.550  -3.550
  300   2HB   SER  44          1HB       SER  44  -9.014  -3.080  -3.080
  301    HG   SER  44           HG       SER  44  -8.460  -5.331  -5.331
  302    H    CYS  45           H        CYS  45  -5.778  -1.325  -1.325
  303    HA   CYS  45           HA       CYS  45  -4.457  -0.450  -0.450
  304   1HB   CYS  45          2HB       CYS  45  -2.383  -0.460  -0.460
  305   2HB   CYS  45          1HB       CYS  45  -3.035  -1.956  -1.956
  306    H    ALA  46           H        ALA  46  -3.365   1.471   1.471
  307    HA   ALA  46           HA       ALA  46  -4.166   3.649   3.649
  308   1HB   ALA  46          2HB       ALA  46  -3.522   3.569   3.569
  309   2HB   ALA  46          1HB       ALA  46  -3.745   5.071   5.071
  310   3HB   ALA  46          3HB       ALA  46  -5.082   3.930   3.930
  311    H    THR  47           H        THR  47  -1.618   1.663   1.663
  312    HA   THR  47           HA       THR  47   0.451   3.780   3.780
  313    HB   THR  47           HB       THR  47   0.416   2.371   2.371
  314    HG1  THR  47          1HG       THR  47   2.593   2.181   2.181
  315   1HG2  THR  47          3HG2      THR  47  -0.255   0.317   0.317
  316   2HG2  THR  47          2HG2      THR  47   1.494   0.093   0.093
  317   3HG2  THR  47          1HG2      THR  47   0.626   0.077   0.077
  318    H    CYS  48           H        CYS  48  -0.684   0.626   0.626
  319    HA   CYS  48           HA       CYS  48   1.579   0.358   0.358
  320   1HB   CYS  48          2HB       CYS  48  -1.072  -0.936  -0.936
  321   2HB   CYS  48          1HB       CYS  48   0.536  -1.558  -1.558
  322    H    HIS  49           H        HIS  49  -0.643   2.744   2.744
  323    HA   HIS  49           HA       HIS  49  -1.915   2.882   2.882
  324   1HB   HIS  49          2HB       HIS  49  -1.885   4.598   4.598
  325   2HB   HIS  49          1HB       HIS  49  -0.281   5.091   5.091
  326    HD1  HIS  49          1HD       HIS  49  -1.482   7.453   7.453
  327    HD2  HIS  49          2HD       HIS  49  -2.665   4.191   4.191
  328    HE1  HIS  49          1HE       HIS  49  -2.725   8.392   8.392
  329    H    VAL  50           H        VAL  50  -1.225   3.204   3.204
  330    HA   VAL  50           HA       VAL  50   1.656   3.758   3.758
  331    HB   VAL  50           HB       VAL  50   1.597   1.834   1.834
  332   1HG1  VAL  50          2HG1      VAL  50   1.490   1.554   1.554
  333   2HG1  VAL  50          1HG1      VAL  50   1.525   0.083   0.083
  334   3HG1  VAL  50          3HG1      VAL  50   2.828   1.263   1.263
  335   1HG2  VAL  50          1HG2      VAL  50  -0.968   1.838   1.838
  336   2HG2  VAL  50          3HG2      VAL  50  -0.171   0.263   0.263
  337   3HG2  VAL  50          2HG2      VAL  50  -0.803   0.931   0.931
  338    H    TYR  51           H        TYR  51   2.034   4.378   4.378
  339    HA   TYR  51           HA       TYR  51  -0.400   5.421   5.421
  340   1HB   TYR  51          2HB       TYR  51   2.347   6.477   6.477
  341   2HB   TYR  51          1HB       TYR  51   1.471   7.089   7.089
  342    HD1  TYR  51          1HD       TYR  51  -1.045   6.196   6.196
  343    HD2  TYR  51          2HD       TYR  51   2.035   9.164   9.164
  344    HE1  TYR  51          1HE       TYR  51  -2.341   7.786   7.786
  345    HE2  TYR  51          2HE       TYR  51   0.723  10.750  10.750
  346    HH   TYR  51           HH       TYR  51  -1.460  11.134  11.134
  347    H    VAL  52           H        VAL  52  -0.707   4.378   4.378
  348    HA   VAL  52           HA       VAL  52   1.450   2.754   2.754
  349    HB   VAL  52           HB       VAL  52  -1.375   3.317   3.317
  350   1HG1  VAL  52          1HG1      VAL  52   0.193   2.267   2.267
  351   2HG1  VAL  52          3HG1      VAL  52   0.460   0.951   0.951
  352   3HG1  VAL  52          2HG1      VAL  52  -1.142   1.204   1.204
  353   1HG2  VAL  52          2HG2      VAL  52  -0.394   1.866   1.866
  354   2HG2  VAL  52          1HG2      VAL  52  -2.061   2.164   2.164
  355   3HG2  VAL  52          3HG2      VAL  52  -1.192   0.765   0.765
  356    H    ASN  53           H        ASN  53   1.877   3.053   3.053
  357    HA   ASN  53           HA       ASN  53   2.442   5.889   5.889
  358   1HB   ASN  53          2HB       ASN  53   3.381   4.874   4.874
  359   2HB   ASN  53          1HB       ASN  53   4.125   4.382   4.382
  360   1HD2  ASN  53          2HD2      ASN  53   3.579   1.261   1.261
  361   2HD2  ASN  53          1HD2      ASN  53   4.548   2.643   2.643
  362    H    GLU  54           H        GLU  54   1.940   5.438   5.438
  363    HA   GLU  54           HA       GLU  54  -0.885   6.345   6.345
  364   1HB   GLU  54          2HB       GLU  54  -0.307   7.223   7.223
  365   2HB   GLU  54          1HB       GLU  54   0.700   7.856   7.856
  366   1HG   GLU  54          2HG       GLU  54   1.814   5.389   5.389
  367   2HG   GLU  54          1HG       GLU  54   1.582   6.551   6.551
  368    H    ALA  55           H        ALA  55   1.039   3.751   3.751
  369    HA   ALA  55           HA       ALA  55  -1.322   2.982   2.982
  370   1HB   ALA  55          3HB       ALA  55   1.589   2.169   2.169
  371   2HB   ALA  55          2HB       ALA  55   0.418   1.405   1.405
  372   3HB   ALA  55          1HB       ALA  55   0.772   3.125   3.125
  373    H    PHE  56           H        PHE  56  -1.056   2.386   2.386
  374    HA   PHE  56           HA       PHE  56  -1.807  -0.489  -0.489
  375   1HB   PHE  56          2HB       PHE  56   0.138   0.636   0.636
  376   2HB   PHE  56          1HB       PHE  56  -0.384  -1.045  -1.045
  377    HD1  PHE  56          1HD       PHE  56   1.442   1.653   1.653
  378    HD2  PHE  56          2HD       PHE  56   0.507  -2.565  -2.565
  379    HE1  PHE  56          1HE       PHE  56   3.107   1.316   1.316
  380    HE2  PHE  56          2HE       PHE  56   2.175  -2.863  -2.863
  381    HZ   PHE  56           HZ       PHE  56   3.475  -0.941  -0.941
  382    H    THR  57           H        THR  57  -2.233   2.562   2.562
  383    HA   THR  57           HA       THR  57  -3.967   1.523   1.523
  384    HB   THR  57           HB       THR  57  -3.727   3.629   3.629
  385    HG1  THR  57          1HG       THR  57  -5.210   4.689   4.689
  386   1HG2  THR  57          2HG2      THR  57  -1.501   3.158   3.158
  387   2HG2  THR  57          1HG2      THR  57  -2.065   4.537   4.537
  388   3HG2  THR  57          3HG2      THR  57  -1.758   4.707   4.707
  389    H    ASP  58           H        ASP  58  -4.360   3.462   3.462
  390    HA   ASP  58           HA       ASP  58  -7.252   3.450   3.450
  391   1HB   ASP  58          2HB       ASP  58  -6.244   3.557   3.557
  392   2HB   ASP  58          1HB       ASP  58  -6.860   4.884   4.884
  393    H    LYS  59           H        LYS  59  -4.918   1.070   1.070
  394    HA   LYS  59           HA       LYS  59  -6.434  -0.586  -0.586
  395   1HB   LYS  59          2HB       LYS  59  -4.290  -1.409  -1.409
  396   2HB   LYS  59          1HB       LYS  59  -4.598  -2.076  -2.076
  397   1HG   LYS  59          2HG       LYS  59  -3.331   0.576   0.576
  398   2HG   LYS  59          1HG       LYS  59  -2.689  -0.714  -0.714
  399   1HD   LYS  59          2HD       LYS  59  -5.076  -0.064  -0.064
  400   2HD   LYS  59          1HD       LYS  59  -4.462   1.501   1.501
  401   1HE   LYS  59          2HE       LYS  59  -3.012   1.479   1.479
  402   2HE   LYS  59          1HE       LYS  59  -2.241   0.039   0.039
  403   1HZ   LYS  59          1HZ       LYS  59  -4.246  -1.198  -1.198
  404   2HZ   LYS  59          3HZ       LYS  59  -4.493   0.176   0.176
  405   3HZ   LYS  59          2HZ       LYS  59  -3.045  -0.701  -0.701
  406    H    VAL  60           H        VAL  60  -5.387  -0.791  -0.791
  407    HA   VAL  60           HA       VAL  60  -7.019  -3.034  -3.034
  408    HB   VAL  60           HB       VAL  60  -4.662  -1.867  -1.867
  409   1HG1  VAL  60          3HG1      VAL  60  -5.811   0.038   0.038
  410   2HG1  VAL  60          2HG1      VAL  60  -6.412  -1.060  -1.060
  411   3HG1  VAL  60          1HG1      VAL  60  -4.677  -0.792  -0.792
  412   1HG2  VAL  60          3HG2      VAL  60  -6.343  -3.615  -3.615
  413   2HG2  VAL  60          2HG2      VAL  60  -5.175  -4.102  -4.102
  414   3HG2  VAL  60          1HG2      VAL  60  -4.620  -3.318  -3.318
  415    HA   PRO  61           HA       PRO  61 -10.641  -0.740  -0.740
  416   1HB   PRO  61          2HB       PRO  61 -11.753  -2.563  -2.563
  417   2HB   PRO  61          1HB       PRO  61 -11.785  -2.722  -2.722
  418   1HG   PRO  61          2HG       PRO  61  -9.981  -4.020  -4.020
  419   2HG   PRO  61          1HG       PRO  61 -10.732  -4.706  -4.706
  420   1HD   PRO  61          2HD       PRO  61  -8.136  -3.932  -3.932
  421   2HD   PRO  61          1HD       PRO  61  -9.126  -3.835  -3.835
  422    H    ALA  62           H        ALA  62 -11.699   0.176   0.176
  423    HA   ALA  62           HA       ALA  62  -9.843   1.138   1.138
  424   1HB   ALA  62          3HB       ALA  62 -12.102   1.966   1.966
  425   2HB   ALA  62          2HB       ALA  62 -12.673   1.797   1.797
  426   3HB   ALA  62          1HB       ALA  62 -11.309   2.858   2.858
  427    H    ALA  63           H        ALA  63 -11.176   1.402   1.402
  428    HA   ALA  63           HA       ALA  63 -11.781  -1.392  -1.392
  429   1HB   ALA  63          2HB       ALA  63 -10.725   1.055   1.055
  430   2HB   ALA  63          1HB       ALA  63 -11.010  -0.509  -0.509
  431   3HB   ALA  63          3HB       ALA  63  -9.783  -0.352  -0.352
  432    H    ASN  64           H        ASN  64 -13.016  -0.979  -0.979
  433    HA   ASN  64           HA       ASN  64 -15.577   0.337   0.337
  434   1HB   ASN  64          2HB       ASN  64 -16.300  -1.018  -1.018
  435   2HB   ASN  64          1HB       ASN  64 -15.995  -1.875  -1.875
  436   1HD2  ASN  64          2HD2      ASN  64 -12.853  -2.051  -2.051
  437   2HD2  ASN  64          1HD2      ASN  64 -13.558  -0.548  -0.548
  438    H    GLU  65           H        GLU  65 -16.670   0.765   0.765
  439    HA   GLU  65           HA       GLU  65 -15.645   3.326   3.326
  440   1HB   GLU  65          2HB       GLU  65 -17.323   3.187   3.187
  441   2HB   GLU  65          1HB       GLU  65 -17.950   2.264   2.264
  442   1HG   GLU  65          2HG       GLU  65 -16.503   0.362   0.362
  443   2HG   GLU  65          1HG       GLU  65 -17.175   1.341   1.341
  444    H    ARG  66           H        ARG  66 -14.698   0.102   0.102
  445    HA   ARG  66           HA       ARG  66 -13.474   0.725   0.725
  446   1HB   ARG  66          2HB       ARG  66 -13.750  -1.479  -1.479
  447   2HB   ARG  66          1HB       ARG  66 -12.021  -1.257  -1.257
  448   1HG   ARG  66          2HG       ARG  66 -12.344  -1.348  -1.348
  449   2HG   ARG  66          1HG       ARG  66 -14.101  -1.407  -1.407
  450   1HD   ARG  66          2HD       ARG  66 -12.154  -3.508  -3.508
  451   2HD   ARG  66          1HD       ARG  66 -13.201  -3.680  -3.680
  452    HE   ARG  66           HE       ARG  66 -15.147  -3.307  -3.307
  453   1HH1  ARG  66          1HH1      ARG  66 -12.293  -3.349  -3.349
  454   2HH1  ARG  66          2HH1      ARG  66 -12.801  -4.551  -4.551
  455   1HH2  ARG  66          1HH2      ARG  66 -15.724  -5.311  -5.311
  456   2HH2  ARG  66          2HH2      ARG  66 -14.744  -5.662  -5.662
  457    H    GLU  67           H        GLU  67 -11.982   0.275   0.275
  458    HA   GLU  67           HA       GLU  67  -9.401   1.216   1.216
  459   1HB   GLU  67          2HB       GLU  67  -9.696  -0.026  -0.026
  460   2HB   GLU  67          1HB       GLU  67 -11.058   0.963   0.963
  461   1HG   GLU  67          2HG       GLU  67  -9.004   1.431   1.431
  462   2HG   GLU  67          1HG       GLU  67  -9.561   2.849   2.849
  463    H    ILE  68           H        ILE  68 -12.182   3.097   3.097
  464    HA   ILE  68           HA       ILE  68 -10.962   5.526   5.526
  465    HB   ILE  68           HB       ILE  68 -13.560   5.238   5.238
  466   1HG1  ILE  68          2HG1      ILE  68 -13.662   3.449   3.449
  467   2HG1  ILE  68          1HG1      ILE  68 -14.565   4.782   4.782
  468   1HG2  ILE  68          3HG2      ILE  68 -12.483   7.088   7.088
  469   2HG2  ILE  68          2HG2      ILE  68 -14.217   6.929   6.929
  470   3HG2  ILE  68          1HG2      ILE  68 -13.156   7.499   7.499
  471   1HD1  ILE  68          3HD1      ILE  68 -11.929   5.226   5.226
  472   2HD1  ILE  68          2HD1      ILE  68 -12.137   3.480   3.480
  473   3HD1  ILE  68          1HD1      ILE  68 -13.228   4.569   4.569
  474    H    GLY  69           H        GLY  69 -11.913   4.238   4.238
  475   1HA   GLY  69          2HA       GLY  69 -10.984   6.661   6.661
  476   2HA   GLY  69          1HA       GLY  69 -11.605   5.208   5.208
  477    H    MET  70           H        MET  70 -10.020   3.213   3.213
  478    HA   MET  70           HA       MET  70  -7.632   3.451   3.451
  479   1HB   MET  70          2HB       MET  70  -6.889   1.549   1.549
  480   2HB   MET  70          1HB       MET  70  -8.364   1.270   1.270
  481   1HG   MET  70          2HG       MET  70  -9.407   2.482   2.482
  482   2HG   MET  70          1HG       MET  70  -7.967   1.777   1.777
  483   1HE   MET  70          3HE       MET  70  -7.644   0.030   0.030
  484   2HE   MET  70          2HE       MET  70  -7.380  -1.036  -1.036
  485   3HE   MET  70          1HE       MET  70  -8.482  -1.538  -1.538
  486    H    LEU  71           H        LEU  71  -8.188   3.864   3.864
  487    HA   LEU  71           HA       LEU  71  -5.471   4.550   4.550
  488   1HB   LEU  71          2HB       LEU  71  -7.368   3.488   3.488
  489   2HB   LEU  71          1HB       LEU  71  -8.115   5.094   5.094
  490    HG   LEU  71           HG       LEU  71  -5.732   4.093   4.093
  491   1HD1  LEU  71          3HD1      LEU  71  -8.278   5.452   5.452
  492   2HD1  LEU  71          2HD1      LEU  71  -6.929   6.265   6.265
  493   3HD1  LEU  71          1HD1      LEU  71  -7.258   4.560   4.560
  494   1HD2  LEU  71          2HD2      LEU  71  -6.015   6.954   6.954
  495   2HD2  LEU  71          1HD2      LEU  71  -4.668   5.862   5.862
  496   3HD2  LEU  71          3HD2      LEU  71  -4.957   6.441   6.441
  497    H    GLU  72           H        GLU  72  -8.415   6.329   6.329
  498    HA   GLU  72           HA       GLU  72  -7.400   8.962   8.962
  499   1HB   GLU  72          2HB       GLU  72  -9.746   8.717   8.717
  500   2HB   GLU  72          1HB       GLU  72  -9.621   7.821   7.821
  501   1HG   GLU  72          2HG       GLU  72  -9.649   9.715   9.715
  502   2HG   GLU  72          1HG       GLU  72  -8.404  10.464  10.464
  503    H    CYS  73           H        CYS  73  -6.923   6.771   6.771
  504    HA   CYS  73           HA       CYS  73  -6.351   8.456   8.456
  505   1HB   CYS  73          2HB       CYS  73  -4.842   6.014   6.014
  506   2HB   CYS  73          1HB       CYS  73  -4.757   6.648   6.648
  507    HG   CYS  73           HG       CYS  73  -7.128   5.861   5.861
  508    H    VAL  74           H        VAL  74  -4.660   8.059   8.059
  509    HA   VAL  74           HA       VAL  74  -2.256   9.508   9.508
  510    HB   VAL  74           HB       VAL  74  -1.490   9.002   9.002
  511   1HG1  VAL  74          1HG1      VAL  74  -2.215   7.114   7.114
  512   2HG1  VAL  74          3HG1      VAL  74  -2.817   6.445   6.445
  513   3HG1  VAL  74          2HG1      VAL  74  -1.110   6.856   6.856
  514   1HG2  VAL  74          2HG2      VAL  74  -4.346   8.926   8.926
  515   2HG2  VAL  74          1HG2      VAL  74  -3.026   9.024   9.024
  516   3HG2  VAL  74          3HG2      VAL  74  -3.577   7.453   7.453
  517    H    THR  75           H        THR  75  -3.647  11.456  11.456
  518    HA   THR  75           HA       THR  75  -5.188  13.031  13.031
  519    HB   THR  75           HB       THR  75  -4.652  13.339  13.339
  520    HG1  THR  75          1HG       THR  75  -4.595  15.618  15.618
  521   1HG2  THR  75          1HG2      THR  75  -1.999  13.493  13.493
  522   2HG2  THR  75          3HG2      THR  75  -2.355  14.992  14.992
  523   3HG2  THR  75          2HG2      THR  75  -2.481  13.441  13.441
  524    H    ALA  76           H        ALA  76  -3.695  12.354  12.354
  525    HA   ALA  76           HA       ALA  76  -1.848  14.663  14.663
  526   1HB   ALA  76          1HB       ALA  76  -0.645  12.574  12.574
  527   2HB   ALA  76          3HB       ALA  76  -1.542  11.746  11.746
  528   3HB   ALA  76          2HB       ALA  76  -0.413  13.041  13.041
  529    H    GLU  77           H        GLU  77  -4.462  14.916  14.916
  530    HA   GLU  77           HA       GLU  77  -5.939  14.984  14.984
  531   1HB   GLU  77          2HB       GLU  77  -4.903  16.268  16.268
  532   2HB   GLU  77          1HB       GLU  77  -4.257  16.823  16.823
  533   1HG   GLU  77          2HG       GLU  77  -2.771  14.647  14.647
  534   2HG   GLU  77          1HG       GLU  77  -2.668  16.270  16.270
  535    H    LEU  78           H        LEU  78  -5.698  12.463  12.463
  536    HA   LEU  78           HA       LEU  78  -4.537  10.498  10.498
  537   1HB   LEU  78          2HB       LEU  78  -7.110  11.063  11.063
  538   2HB   LEU  78          1HB       LEU  78  -7.339  10.479  10.479
  539    HG   LEU  78           HG       LEU  78  -6.015   8.479   8.479
  540   1HD1  LEU  78          2HD1      LEU  78  -4.959  10.050  10.050
  541   2HD1  LEU  78          1HD1      LEU  78  -5.900   8.818   8.818
  542   3HD1  LEU  78          3HD1      LEU  78  -4.625   8.341   8.341
  543   1HD2  LEU  78          1HD2      LEU  78  -8.440   9.220   9.220
  544   2HD2  LEU  78          3HD2      LEU  78  -8.092   7.765   7.765
  545   3HD2  LEU  78          2HD2      LEU  78  -7.543   7.895   7.895
  546    H    LYS  79           H        LYS  79  -4.092   9.755   9.755
  547    HA   LYS  79           HA       LYS  79  -4.566  11.651  11.651
  548   1HB   LYS  79          2HB       LYS  79  -3.166   8.990   8.990
  549   2HB   LYS  79          1HB       LYS  79  -2.796  10.496  10.496
  550   1HG   LYS  79          2HG       LYS  79  -2.512  10.929  10.929
  551   2HG   LYS  79          1HG       LYS  79  -1.605   9.490   9.490
  552   1HD   LYS  79          2HD       LYS  79   0.009  10.851  10.851
  553   2HD   LYS  79          1HD       LYS  79  -1.088  11.309  11.309
  554   1HE   LYS  79          2HE       LYS  79  -2.110  12.969  12.969
  555   2HE   LYS  79          1HE       LYS  79  -0.615  12.708  12.708
  556   1HZ   LYS  79          3HZ       LYS  79   0.642  13.181  13.181
  557   2HZ   LYS  79          2HZ       LYS  79  -0.810  13.552  13.552
  558   3HZ   LYS  79          1HZ       LYS  79  -0.283  14.513  14.513
  559    HA   PRO  80           HA       PRO  80  -7.782   9.330   9.330
  560   1HB   PRO  80          2HB       PRO  80  -6.952   9.075   9.075
  561   2HB   PRO  80          1HB       PRO  80  -7.579  10.597  10.597
  562   1HG   PRO  80          2HG       PRO  80  -4.757   9.729   9.729
  563   2HG   PRO  80          1HG       PRO  80  -5.506  11.310  11.310
  564   1HD   PRO  80          2HD       PRO  80  -3.993  10.817  10.817
  565   2HD   PRO  80          1HD       PRO  80  -5.386  11.921  11.921
  566    H    ASN  81           H        ASN  81  -4.502   8.229   8.229
  567    HA   ASN  81           HA       ASN  81  -5.415   5.432   5.432
  568   1HB   ASN  81          2HB       ASN  81  -2.926   5.176   5.176
  569   2HB   ASN  81          1HB       ASN  81  -3.819   6.229   6.229
  570   1HD2  ASN  81          1HD2      ASN  81  -1.245   6.862   6.862
  571   2HD2  ASN  81          2HD2      ASN  81  -0.841   8.195   8.195
  572    H    SER  82           H        SER  82  -4.410   7.429   7.429
  573    HA   SER  82           HA       SER  82  -2.637   5.932   5.932
  574   1HB   SER  82          2HB       SER  82  -5.176   7.402   7.402
  575   2HB   SER  82          1HB       SER  82  -3.887   6.978   6.978
  576    HG   SER  82           HG       SER  82  -2.647   8.102   8.102
  577    H    ARG  83           H        ARG  83  -2.961   4.334   4.334
  578    HA   ARG  83           HA       ARG  83  -5.478   3.019   3.019
  579   1HB   ARG  83          2HB       ARG  83  -4.090   2.366   2.366
  580   2HB   ARG  83          1HB       ARG  83  -3.964   0.982   0.982
  581   1HG   ARG  83          2HG       ARG  83  -6.281   0.736   0.736
  582   2HG   ARG  83          1HG       ARG  83  -6.592   2.361   2.361
  583   1HD   ARG  83          2HD       ARG  83  -5.143   1.136   1.136
  584   2HD   ARG  83          1HD       ARG  83  -6.273  -0.118  -0.118
  585    HE   ARG  83           HE       ARG  83  -7.849   2.082   2.082
  586   1HH1  ARG  83          1HH1      ARG  83  -7.294  -0.159  -0.159
  587   2HH1  ARG  83          2HH1      ARG  83  -7.432   0.848   0.848
  588   1HH2  ARG  83          1HH2      ARG  83  -7.336   3.812   3.812
  589   2HH2  ARG  83          2HH2      ARG  83  -7.456   3.098   3.098
  590    H    LEU  84           H        LEU  84  -5.244   1.180   1.180
  591    HA   LEU  84           HA       LEU  84  -2.937   1.392   1.392
  592   1HB   LEU  84          2HB       LEU  84  -5.643   0.437   0.437
  593   2HB   LEU  84          1HB       LEU  84  -4.600  -0.870  -0.870
  594    HG   LEU  84           HG       LEU  84  -4.805   1.924   1.924
  595   1HD1  LEU  84          3HD1      LEU  84  -5.806  -0.764  -0.764
  596   2HD1  LEU  84          2HD1      LEU  84  -5.049   0.072   0.072
  597   3HD1  LEU  84          1HD1      LEU  84  -6.411   0.814   0.814
  598   1HD2  LEU  84          3HD2      LEU  84  -2.761  -0.259  -0.259
  599   2HD2  LEU  84          2HD2      LEU  84  -2.506   1.481   1.481
  600   3HD2  LEU  84          1HD2      LEU  84  -3.129   0.803   0.803
  601    H    SER  85           H        SER  85  -1.186  -0.083  -0.083
  602    HA   SER  85           HA       SER  85  -0.317  -1.590  -1.590
  603   1HB   SER  85          2HB       SER  85   1.253  -2.397  -2.397
  604   2HB   SER  85          1HB       SER  85   0.625  -1.108  -1.108
  605    HG   SER  85           HG       SER  85   0.786  -3.309  -3.309
  606    H    CYS  86           H        CYS  86  -2.694  -2.513  -2.513
  607    HA   CYS  86           HA       CYS  86  -2.920  -5.231  -5.231
  608   1HB   CYS  86          2HB       CYS  86  -4.327  -4.244  -4.244
  609   2HB   CYS  86          1HB       CYS  86  -3.787  -5.869  -5.869
  610    H    GLN  87           H        GLN  87  -3.958  -3.061  -3.061
  611    HA   GLN  87           HA       GLN  87  -6.839  -3.685  -3.685
  612   1HB   GLN  87          2HB       GLN  87  -5.389  -1.141  -1.141
  613   2HB   GLN  87          1HB       GLN  87  -6.727  -1.217  -1.217
  614   1HG   GLN  87          2HG       GLN  87  -6.843  -1.670  -1.670
  615   2HG   GLN  87          1HG       GLN  87  -7.615  -0.379  -0.379
  616   1HE2  GLN  87          2HE2      GLN  87  -9.300  -4.115  -4.115
  617   2HE2  GLN  87          1HE2      GLN  87  -7.699  -3.898  -3.898
  618    H    ILE  88           H        ILE  88  -4.230  -2.687  -2.687
  619    HA   ILE  88           HA       ILE  88  -5.906  -3.335  -3.335
  620    HB   ILE  88           HB       ILE  88  -2.999  -3.011  -3.011
  621   1HG1  ILE  88          2HG1      ILE  88  -4.690  -0.854  -0.854
  622   2HG1  ILE  88          1HG1      ILE  88  -3.122  -1.460  -1.460
  623   1HG2  ILE  88          1HG2      ILE  88  -5.229  -2.866  -2.866
  624   2HG2  ILE  88          3HG2      ILE  88  -4.995  -1.159  -1.159
  625   3HG2  ILE  88          2HG2      ILE  88  -3.709  -2.072  -2.072
  626   1HD1  ILE  88          1HD1      ILE  88  -3.557  -0.037  -0.037
  627   2HD1  ILE  88          3HD1      ILE  88  -3.003   0.770   0.770
  628   3HD1  ILE  88          2HD1      ILE  88  -2.013  -0.486  -0.486
  629    H    ILE  89           H        ILE  89  -5.545  -5.035  -5.035
  630    HA   ILE  89           HA       ILE  89  -3.998  -7.333  -7.333
  631    HB   ILE  89           HB       ILE  89  -6.493  -7.034  -7.034
  632   1HG1  ILE  89          2HG1      ILE  89  -6.943  -7.025  -7.025
  633   2HG1  ILE  89          1HG1      ILE  89  -7.318  -8.657  -8.657
  634   1HG2  ILE  89          3HG2      ILE  89  -5.007  -8.750  -8.750
  635   2HG2  ILE  89          2HG2      ILE  89  -4.972  -9.601  -9.601
  636   3HG2  ILE  89          1HG2      ILE  89  -6.489  -9.442  -9.442
  637   1HD1  ILE  89          3HD1      ILE  89  -4.907  -9.259  -9.259
  638   2HD1  ILE  89          2HD1      ILE  89  -4.867  -7.712  -7.712
  639   3HD1  ILE  89          1HD1      ILE  89  -6.024  -8.952  -8.952
  640    H    MET  90           H        MET  90  -2.912  -8.688  -8.688
  641    HA   MET  90           HA       MET  90  -1.976  -7.066  -7.066
  642   1HB   MET  90          2HB       MET  90  -0.624  -8.212  -8.212
  643   2HB   MET  90          1HB       MET  90  -0.498  -9.474  -9.474
  644   1HG   MET  90          2HG       MET  90   1.395  -7.874  -7.874
  645   2HG   MET  90          1HG       MET  90   0.424  -7.865  -7.865
  646   1HE   MET  90          3HE       MET  90   0.284  -6.318  -6.318
  647   2HE   MET  90          2HE       MET  90  -1.016  -5.179  -5.179
  648   3HE   MET  90          1HE       MET  90   0.656  -4.624  -4.624
  649    H    THR  91           H        THR  91  -3.008  -7.733  -7.733
  650    HA   THR  91           HA       THR  91  -3.941 -10.541 -10.541
  651    HB   THR  91           HB       THR  91  -5.265  -9.700  -9.700
  652    HG1  THR  91          1HG       THR  91  -4.682  -7.636  -7.636
  653   1HG2  THR  91          2HG2      THR  91  -5.162  -8.273  -8.273
  654   2HG2  THR  91          1HG2      THR  91  -5.215  -7.034  -7.034
  655   3HG2  THR  91          3HG2      THR  91  -6.479  -8.261  -8.261
  656    HA   PRO  92           HA       PRO  92  -0.670 -11.856 -11.856
  657   1HB   PRO  92          2HB       PRO  92  -1.930 -13.252 -13.252
  658   2HB   PRO  92          1HB       PRO  92  -1.774 -13.846 -13.846
  659   1HG   PRO  92          2HG       PRO  92  -4.110 -12.622 -12.622
  660   2HG   PRO  92          1HG       PRO  92  -4.049 -13.901 -13.901
  661   1HD   PRO  92          2HD       PRO  92  -4.708 -11.284 -11.284
  662   2HD   PRO  92          1HD       PRO  92  -4.075 -12.424 -12.424
  663    H    GLU  93           H        GLU  93  -2.953  -9.646  -9.646
  664    HA   GLU  93           HA       GLU  93  -1.306  -9.254  -9.254
  665   1HB   GLU  93          2HB       GLU  93  -3.308  -8.164  -8.164
  666   2HB   GLU  93          1HB       GLU  93  -3.734  -9.752  -9.752
  667   1HG   GLU  93          2HG       GLU  93  -5.424  -8.430  -8.430
  668   2HG   GLU  93          1HG       GLU  93  -4.245  -8.425  -8.425
  669    H    LEU  94           H        LEU  94  -2.839  -7.526  -7.526
  670    HA   LEU  94           HA       LEU  94  -1.745  -4.931  -4.931
  671   1HB   LEU  94          2HB       LEU  94  -3.454  -6.212  -6.212
  672   2HB   LEU  94          1HB       LEU  94  -2.274  -5.231  -5.231
  673    HG   LEU  94           HG       LEU  94  -4.109  -4.341  -4.341
  674   1HD1  LEU  94          1HD1      LEU  94  -4.685  -4.595  -4.595
  675   2HD1  LEU  94          3HD1      LEU  94  -3.896  -3.019  -3.019
  676   3HD1  LEU  94          2HD1      LEU  94  -5.314  -3.258  -3.258
  677   1HD2  LEU  94          1HD2      LEU  94  -1.502  -3.443  -3.443
  678   2HD2  LEU  94          3HD2      LEU  94  -2.742  -2.570  -2.570
  679   3HD2  LEU  94          2HD2      LEU  94  -2.542  -2.275  -2.275
  680    H    ASP  95           H        ASP  95   0.466  -6.542  -6.542
  681    HA   ASP  95           HA       ASP  95   1.873  -6.449  -6.449
  682   1HB   ASP  95          2HB       ASP  95   3.428  -7.951  -7.951
  683   2HB   ASP  95          1HB       ASP  95   1.774  -8.541  -8.541
  684    H    GLY  96           H        GLY  96   4.016  -5.606  -5.606
  685   1HA   GLY  96          2HA       GLY  96   5.889  -4.302  -4.302
  686   2HA   GLY  96          1HA       GLY  96   4.911  -3.820  -3.820
  687    H    ILE  97           H        ILE  97   3.552  -3.778  -3.778
  688    HA   ILE  97           HA       ILE  97   2.913  -0.957  -0.957
  689    HB   ILE  97           HB       ILE  97   1.283  -2.415  -2.415
  690   1HG1  ILE  97          2HG1      ILE  97   2.451  -1.012  -1.012
  691   2HG1  ILE  97          1HG1      ILE  97   1.767  -0.092  -0.092
  692   1HG2  ILE  97          2HG2      ILE  97   3.596  -3.255  -3.255
  693   2HG2  ILE  97          1HG2      ILE  97   1.940  -3.492  -3.492
  694   3HG2  ILE  97          3HG2      ILE  97   2.493  -4.267  -4.267
  695   1HD1  ILE  97          2HD1      ILE  97   0.006  -2.260  -2.260
  696   2HD1  ILE  97          1HD1      ILE  97   0.363  -1.250  -1.250
  697   3HD1  ILE  97          3HD1      ILE  97  -0.322  -0.528  -0.528
  698    H    VAL  98           H        VAL  98   3.392   0.683   0.683
  699    HA   VAL  98           HA       VAL  98   5.917   0.239   0.239
  700    HB   VAL  98           HB       VAL  98   5.029   2.759   2.759
  701   1HG1  VAL  98          2HG1      VAL  98   7.647   1.880   1.880
  702   2HG1  VAL  98          1HG1      VAL  98   7.444   3.352   3.352
  703   3HG1  VAL  98          3HG1      VAL  98   6.583   3.163   3.163
  704   1HG2  VAL  98          1HG2      VAL  98   5.548   0.675   0.675
  705   2HG2  VAL  98          3HG2      VAL  98   6.408   2.168   2.168
  706   3HG2  VAL  98          2HG2      VAL  98   7.215   0.891   0.891
  707    H    VAL  99           H        VAL  99   5.545   0.633   0.633
  708    HA   VAL  99           HA       VAL  99   3.057   2.126   2.126
  709    HB   VAL  99           HB       VAL  99   4.809   0.818   0.818
  710   1HG1  VAL  99          2HG1      VAL  99   1.963   1.452   1.452
  711   2HG1  VAL  99          1HG1      VAL  99   2.282  -0.087  -0.087
  712   3HG1  VAL  99          3HG1      VAL  99   2.940   1.420   1.420
  713   1HG2  VAL  99          3HG2      VAL  99   3.779  -0.576  -0.576
  714   2HG2  VAL  99          2HG2      VAL  99   4.952  -1.082  -1.082
  715   3HG2  VAL  99          1HG2      VAL  99   3.229  -1.265  -1.265
  716    H    ASP 100           H        ASP 100   3.501   3.094   3.094
  717    HA   ASP 100           HA       ASP 100   6.121   4.263   4.263
  718   1HB   ASP 100          2HB       ASP 100   3.813   5.838   5.838
  719   2HB   ASP 100          1HB       ASP 100   5.072   6.635   6.635
  720    H    VAL 101           H        VAL 101   6.381   4.913   4.913
  721    HA   VAL 101           HA       VAL 101   4.010   4.527   4.527
  722    HB   VAL 101           HB       VAL 101   6.886   5.155   5.155
  723   1HG1  VAL 101          3HG1      VAL 101   4.634   5.122   5.122
  724   2HG1  VAL 101          2HG1      VAL 101   5.179   3.450   3.450
  725   3HG1  VAL 101          1HG1      VAL 101   6.258   4.771   4.771
  726   1HG2  VAL 101          2HG2      VAL 101   5.987   2.907   2.907
  727   2HG2  VAL 101          1HG2      VAL 101   7.474   3.010   3.010
  728   3HG2  VAL 101          3HG2      VAL 101   6.001   2.381   2.381
  729    HA   PRO 102           HA       PRO 102   3.384   8.933   8.933
  730   1HB   PRO 102          2HB       PRO 102   1.284   9.029   9.029
  731   2HB   PRO 102          1HB       PRO 102   1.125   8.488   8.488
  732   1HG   PRO 102          2HG       PRO 102   1.419   6.857   6.857
  733   2HG   PRO 102          1HG       PRO 102   0.316   6.630   6.630
  734   1HD   PRO 102          2HD       PRO 102   2.558   5.184   5.184
  735   2HD   PRO 102          1HD       PRO 102   1.968   5.730   5.730
  736    H    ASP 103           H        ASP 103   3.761  10.770  10.770
  737    HA   ASP 103           HA       ASP 103   5.205  10.001  10.001
  738   1HB   ASP 103          2HB       ASP 103   6.159  12.343  12.343
  739   2HB   ASP 103          1HB       ASP 103   6.545  11.183  11.183
  740    H    ARG 104           H        ARG 104   3.355   9.900   9.900
  741    HA   ARG 104           HA       ARG 104   1.894  12.468  12.468
  742   1HB   ARG 104          2HB       ARG 104   0.963   9.975   9.975
  743   2HB   ARG 104          1HB       ARG 104   0.038  11.193  11.193
  744   1HG   ARG 104          2HG       ARG 104   1.825   9.319   9.319
  745   2HG   ARG 104          1HG       ARG 104   0.257   8.772   8.772
  746   1HD   ARG 104          2HD       ARG 104   0.032   9.673   9.673
  747   2HD   ARG 104          1HD       ARG 104  -0.781  10.768  10.768
  748    HE   ARG 104           HE       ARG 104   1.424  12.083  12.083
  749   1HH1  ARG 104          1HH2      ARG 104  -0.003  10.491  10.491
  750   2HH1  ARG 104          2HH2      ARG 104   1.054  11.225  11.225
  751   1HH2  ARG 104          1HH1      ARG 104   2.927  12.920  12.920
  752   2HH2  ARG 104          2HH1      ARG 104   2.701  12.589  12.589
  753    H    GLN 105           H        GLN 105   4.511  12.254  12.254
  754    HA   GLN 105           HA       GLN 105   4.000  11.841  11.841
  755   1HB   GLN 105          2HB       GLN 105   6.416  11.290  11.290
  756   2HB   GLN 105          1HB       GLN 105   5.569  10.236  10.236
  757   1HG   GLN 105          2HG       GLN 105   7.043  10.870  10.870
  758   2HG   GLN 105          1HG       GLN 105   6.332  12.483  12.483
  759   1HE2  GLN 105          2HE2      GLN 105   9.513  11.965  11.965
  760   2HE2  GLN 105          1HE2      GLN 105   8.279  10.800  10.800
  761    H    TRP 106           H        TRP 106   4.314  14.206  14.206
  762    HA   TRP 106           HA       TRP 106   6.121  15.994  15.994
  763   1HB   TRP 106          2HB       TRP 106   6.266  16.045  16.045
  764   2HB   TRP 106          1HB       TRP 106   4.515  16.159  16.159
  765    HD1  TRP 106           HD       TRP 106   3.359  18.494  18.494
  766    HE1  TRP 106          1HE       TRP 106   4.302  20.892  20.892
  767    HE3  TRP 106          3HE       TRP 106   8.363  17.471  17.471
  768    HZ2  TRP 106          2HZ       TRP 106   6.847  22.204  22.204
  769    HZ3  TRP 106          3HZ       TRP 106  10.025  19.311  19.311
  770    HH2  TRP 106           HH       TRP 106   9.271  21.674  21.674

  Start of MODEL   12
    1   1H    SER   1          3HT       SER   1   1.851 -10.973 -10.973
    2   2H    SER   1          2HT       SER   1   1.126 -11.374 -11.374
    3   3H    SER   1          1HT       SER   1   2.768 -11.723 -11.723
    4    HA   SER   1           HA       SER   1   2.582  -9.777  -9.777
    5   1HB   SER   1          2HB       SER   1   1.447  -7.929  -7.929
    6   2HB   SER   1          1HB       SER   1   0.712  -8.547  -8.547
    7    HG   SER   1           HG       SER   1  -0.662  -9.116  -9.116
    8    H    LYS   2           H        LYS   2   4.293  -8.300  -8.300
    9    HA   LYS   2           HA       LYS   2   6.087  -8.561  -8.561
   10   1HB   LYS   2          2HB       LYS   2   6.457  -8.248  -8.248
   11   2HB   LYS   2          1HB       LYS   2   6.393  -6.536  -6.536
   12   1HG   LYS   2          2HG       LYS   2   8.248  -6.739  -6.739
   13   2HG   LYS   2          1HG       LYS   2   8.172  -8.501  -8.501
   14   1HD   LYS   2          2HD       LYS   2   8.575  -8.236  -8.236
   15   2HD   LYS   2          1HD       LYS   2   9.149  -6.623  -6.623
   16   1HE   LYS   2          2HE       LYS   2  10.640  -7.804  -7.804
   17   2HE   LYS   2          1HE       LYS   2  10.279  -9.294  -9.294
   18   1HZ   LYS   2          1HZ       LYS   2  10.785  -7.655  -7.655
   19   2HZ   LYS   2          3HZ       LYS   2  11.788  -6.947  -6.947
   20   3HZ   LYS   2          2HZ       LYS   2  11.998  -8.580  -8.580
   21    H    VAL   3           H        VAL   3   6.373  -7.012  -7.012
   22    HA   VAL   3           HA       VAL   3   4.816  -4.471  -4.471
   23    HB   VAL   3           HB       VAL   3   4.963  -6.526  -6.526
   24   1HG1  VAL   3          1HG1      VAL   3   4.573  -3.556  -3.556
   25   2HG1  VAL   3          3HG1      VAL   3   3.766  -4.684  -4.684
   26   3HG1  VAL   3          2HG1      VAL   3   5.530  -4.655  -4.655
   27   1HG2  VAL   3          2HG2      VAL   3   3.087  -5.812  -5.812
   28   2HG2  VAL   3          1HG2      VAL   3   2.740  -6.706  -6.706
   29   3HG2  VAL   3          3HG2      VAL   3   2.527  -4.955  -4.955
   30    H    VAL   4           H        VAL   4   5.811  -2.629  -2.629
   31    HA   VAL   4           HA       VAL   4   8.563  -2.982  -2.982
   32    HB   VAL   4           HB       VAL   4   7.566  -1.365  -1.365
   33   1HG1  VAL   4          2HG1      VAL   4   8.607   0.234   0.234
   34   2HG1  VAL   4          1HG1      VAL   4  10.088  -0.718  -0.718
   35   3HG1  VAL   4          3HG1      VAL   4   9.488   0.115   0.115
   36   1HG2  VAL   4          2HG2      VAL   4   9.513  -3.476  -3.476
   37   2HG2  VAL   4          1HG2      VAL   4   8.762  -3.004  -3.004
   38   3HG2  VAL   4          3HG2      VAL   4  10.192  -2.149  -2.149
   39    H    TYR   5           H        TYR   5   8.851  -1.899  -1.899
   40    HA   TYR   5           HA       TYR   5   6.705  -0.060  -0.060
   41   1HB   TYR   5          2HB       TYR   5   8.872  -1.737  -1.737
   42   2HB   TYR   5          1HB       TYR   5   7.795  -0.728  -0.728
   43    HD1  TYR   5          2HD       TYR   5   5.244  -0.934  -0.934
   44    HD2  TYR   5          1HD       TYR   5   8.271  -3.974  -3.974
   45    HE1  TYR   5          2HE       TYR   5   3.510  -2.665  -2.665
   46    HE2  TYR   5          1HE       TYR   5   6.556  -5.652  -5.652
   47    HH   TYR   5           HH       TYR   5   4.207  -6.021  -6.021
   48    H    VAL   6           H        VAL   6   7.130   2.034   2.034
   49    HA   VAL   6           HA       VAL   6  10.036   2.858   2.858
   50    HB   VAL   6           HB       VAL   6   7.692   4.596   4.596
   51   1HG1  VAL   6          1HG1      VAL   6  10.445   5.091   5.091
   52   2HG1  VAL   6          3HG1      VAL   6  10.223   5.238   5.238
   53   3HG1  VAL   6          2HG1      VAL   6   9.254   6.219   6.219
   54   1HG2  VAL   6          3HG2      VAL   6   8.653   2.372   2.372
   55   2HG2  VAL   6          2HG2      VAL   6   7.709   3.695   3.695
   56   3HG2  VAL   6          1HG2      VAL   6   9.469   3.736   3.736
   57    H    SER   7           H        SER   7  10.632   4.470   4.470
   58    HA   SER   7           HA       SER   7   8.697   4.840   4.840
   59   1HB   SER   7          2HB       SER   7  10.749   4.965   4.965
   60   2HB   SER   7          1HB       SER   7  10.678   3.446   3.446
   61    HG   SER   7           HG       SER   7  12.108   5.789   5.789
   62    H    HIS   8           H        HIS   8   8.321   6.997   6.997
   63    HA   HIS   8           HA       HIS   8   8.723   9.104   9.104
   64   1HB   HIS   8          2HB       HIS   8   7.663   8.719   8.719
   65   2HB   HIS   8          1HB       HIS   8   8.943   9.904   9.904
   66    HD1  HIS   8          1HD       HIS   8   5.905   9.342   9.342
   67    HD2  HIS   8          2HD       HIS   8   8.337  12.477  12.477
   68    HE1  HIS   8          1HE       HIS   8   4.812  11.478  11.478
   69    H    ASP   9           H        ASP   9  11.087   7.641   7.641
   70    HA   ASP   9           HA       ASP   9  12.981   9.884   9.884
   71   1HB   ASP   9          2HB       ASP   9  14.312   8.527   8.527
   72   2HB   ASP   9          1HB       ASP   9  12.644   8.246   8.246
   73    H    GLY  10           H        GLY  10  12.015   7.387   7.387
   74   1HA   GLY  10          2HA       GLY  10  13.003   7.321   7.321
   75   2HA   GLY  10          1HA       GLY  10  14.579   7.558   7.558
   76    H    THR  11           H        THR  11  14.192   5.598   5.598
   77    HA   THR  11           HA       THR  11  15.229   3.293   3.293
   78    HB   THR  11           HB       THR  11  14.240   4.208   4.208
   79    HG1  THR  11          1HG       THR  11  16.312   3.209   3.209
   80   1HG2  THR  11          1HG2      THR  11  13.262   1.480   1.480
   81   2HG2  THR  11          3HG2      THR  11  13.628   1.842   1.842
   82   3HG2  THR  11          2HG2      THR  11  12.382   2.756   2.756
   83    H    ARG  12           H        ARG  12  14.380   1.669   1.669
   84    HA   ARG  12           HA       ARG  12  11.398   1.461   1.461
   85   1HB   ARG  12          2HB       ARG  12  13.603   1.735   1.735
   86   2HB   ARG  12          1HB       ARG  12  12.275   0.664   0.664
   87   1HG   ARG  12          2HG       ARG  12  10.667   2.407   2.407
   88   2HG   ARG  12          1HG       ARG  12  11.797   3.461   3.461
   89   1HD   ARG  12          2HD       ARG  12  12.003   2.584   2.584
   90   2HD   ARG  12          1HD       ARG  12  11.641   4.218   4.218
   91    HE   ARG  12           HE       ARG  12  13.914   4.261   4.261
   92   1HH1  ARG  12          1HH1      ARG  12  13.387   2.786   2.786
   93   2HH1  ARG  12          2HH1      ARG  12  14.922   1.985   1.985
   94   1HH2  ARG  12          1HH2      ARG  12  15.806   2.785   2.785
   95   2HH2  ARG  12          2HH2      ARG  12  16.291   1.985   1.985
   96    H    ARG  13           H        ARG  13  10.598  -0.707  -0.707
   97    HA   ARG  13           HA       ARG  13  12.585  -2.922  -2.922
   98   1HB   ARG  13          2HB       ARG  13  10.389  -3.908  -3.908
   99   2HB   ARG  13          1HB       ARG  13  11.821  -3.249  -3.249
  100   1HG   ARG  13          2HG       ARG  13  10.123  -1.045  -1.045
  101   2HG   ARG  13          1HG       ARG  13   9.113  -2.302  -2.302
  102   1HD   ARG  13          2HD       ARG  13  11.585  -2.151  -2.151
  103   2HD   ARG  13          1HD       ARG  13  10.866  -0.531  -0.531
  104    HE   ARG  13           HE       ARG  13   8.815  -2.463  -2.463
  105   1HH1  ARG  13          1HH2      ARG  13  11.050  -3.173  -3.173
  106   2HH1  ARG  13          2HH2      ARG  13  10.606  -2.217  -2.217
  107   1HH2  ARG  13          1HH1      ARG  13   8.410  -0.206  -0.206
  108   2HH2  ARG  13          2HH1      ARG  13   9.111  -0.537  -0.537
  109    H    GLU  14           H        GLU  14  12.319  -4.247  -4.247
  110    HA   GLU  14           HA       GLU  14   9.765  -4.176  -4.176
  111   1HB   GLU  14          2HB       GLU  14  12.354  -5.625  -5.625
  112   2HB   GLU  14          1HB       GLU  14  11.097  -5.146  -5.146
  113   1HG   GLU  14          2HG       GLU  14  11.570  -2.734  -2.734
  114   2HG   GLU  14          1HG       GLU  14  13.024  -3.365  -3.365
  115    H    LEU  15           H        LEU  15   8.250  -5.760  -5.760
  116    HA   LEU  15           HA       LEU  15   9.175  -8.306  -8.306
  117   1HB   LEU  15          2HB       LEU  15   6.726  -6.600  -6.600
  118   2HB   LEU  15          1HB       LEU  15   6.510  -8.335  -8.335
  119    HG   LEU  15           HG       LEU  15   8.239  -6.495  -6.495
  120   1HD1  LEU  15          3HD1      LEU  15   5.599  -7.721  -7.721
  121   2HD1  LEU  15          2HD1      LEU  15   6.679  -8.180  -8.180
  122   3HD1  LEU  15          1HD1      LEU  15   6.351  -6.479  -6.479
  123   1HD2  LEU  15          2HD2      LEU  15   7.950  -9.488  -9.488
  124   2HD2  LEU  15          1HD2      LEU  15   9.416  -8.603  -8.603
  125   3HD2  LEU  15          3HD2      LEU  15   8.814  -8.489  -8.489
  126    H    ASP  16           H        ASP  16   8.519 -10.273 -10.273
  127    HA   ASP  16           HA       ASP  16   7.535 -10.146 -10.146
  128   1HB   ASP  16          2HB       ASP  16   9.050 -12.118 -12.118
  129   2HB   ASP  16          1HB       ASP  16   8.285 -12.650 -12.650
  130    H    VAL  17           H        VAL  17   5.311  -9.768  -9.768
  131    HA   VAL  17           HA       VAL  17   3.992 -11.825 -11.825
  132    HB   VAL  17           HB       VAL  17   3.210  -9.134  -9.134
  133   1HG1  VAL  17          1HG1      VAL  17   1.613 -11.165 -11.165
  134   2HG1  VAL  17          3HG1      VAL  17   1.193  -9.453  -9.453
  135   3HG1  VAL  17          2HG1      VAL  17   1.176 -10.369 -10.369
  136   1HG2  VAL  17          2HG2      VAL  17   4.514 -10.036 -10.036
  137   2HG2  VAL  17          1HG2      VAL  17   4.173  -8.385  -8.385
  138   3HG2  VAL  17          3HG2      VAL  17   2.972  -9.284  -9.284
  139    H    ALA  18           H        ALA  18   1.796 -12.563 -12.563
  140    HA   ALA  18           HA       ALA  18   1.849 -12.988 -12.988
  141   1HB   ALA  18          2HB       ALA  18   2.551 -14.960 -14.960
  142   2HB   ALA  18          1HB       ALA  18   1.042 -14.886 -14.886
  143   3HB   ALA  18          3HB       ALA  18   1.011 -15.260 -15.260
  144    H    ASP  19           H        ASP  19  -0.719 -14.645 -14.645
  145    HA   ASP  19           HA       ASP  19  -2.566 -12.317 -12.317
  146   1HB   ASP  19          2HB       ASP  19  -3.908 -13.759 -13.759
  147   2HB   ASP  19          1HB       ASP  19  -2.256 -14.164 -14.164
  148    H    GLY  20           H        GLY  20  -3.772 -11.933 -11.933
  149   1HA   GLY  20          2HA       GLY  20  -5.459 -12.800 -12.800
  150   2HA   GLY  20          1HA       GLY  20  -4.458 -14.241 -14.241
  151    H    VAL  21           H        VAL  21  -2.178 -11.956 -11.956
  152    HA   VAL  21           HA       VAL  21  -2.114 -11.745 -11.745
  153    HB   VAL  21           HB       VAL  21  -0.065 -11.130 -11.130
  154   1HG1  VAL  21          3HG1      VAL  21   0.151 -11.306 -11.306
  155   2HG1  VAL  21          2HG1      VAL  21   1.538 -11.232 -11.232
  156   3HG1  VAL  21          1HG1      VAL  21   0.416  -9.875  -9.875
  157   1HG2  VAL  21          1HG2      VAL  21  -0.848 -13.604 -13.604
  158   2HG2  VAL  21          3HG2      VAL  21  -0.003 -13.409 -13.409
  159   3HG2  VAL  21          2HG2      VAL  21   0.887 -13.272 -13.272
  160    H    SER  22           H        SER  22  -1.190  -9.659  -9.659
  161    HA   SER  22           HA       SER  22  -2.314  -7.280  -7.280
  162   1HB   SER  22          2HB       SER  22  -2.087  -6.802  -6.802
  163   2HB   SER  22          1HB       SER  22  -3.572  -7.071  -7.071
  164    HG   SER  22           HG       SER  22  -3.316  -9.291  -9.291
  165    H    LEU  23           H        LEU  23  -0.962  -5.295  -5.295
  166    HA   LEU  23           HA       LEU  23   1.813  -5.636  -5.636
  167   1HB   LEU  23          2HB       LEU  23   0.412  -3.270  -3.270
  168   2HB   LEU  23          1HB       LEU  23   1.953  -3.259  -3.259
  169    HG   LEU  23           HG       LEU  23  -0.776  -3.583  -3.583
  170   1HD1  LEU  23          2HD1      LEU  23   0.468  -1.343  -1.343
  171   2HD1  LEU  23          1HD1      LEU  23   1.567  -1.935  -1.935
  172   3HD1  LEU  23          3HD1      LEU  23  -0.145  -1.713  -1.713
  173   1HD2  LEU  23          1HD2      LEU  23   1.887  -4.527  -4.527
  174   2HD2  LEU  23          3HD2      LEU  23   0.332  -5.356  -5.356
  175   3HD2  LEU  23          2HD2      LEU  23   0.630  -3.990  -3.990
  176    H    MET  24           H        MET  24  -0.170  -5.725  -5.725
  177    HA   MET  24           HA       MET  24   2.083  -5.399  -5.399
  178   1HB   MET  24          2HB       MET  24   0.106  -4.599  -4.599
  179   2HB   MET  24          1HB       MET  24  -0.854  -5.891  -5.891
  180   1HG   MET  24          2HG       MET  24  -0.483  -7.294  -7.294
  181   2HG   MET  24          1HG       MET  24   1.197  -6.788  -6.788
  182   1HE   MET  24          2HE       MET  24  -0.763  -7.628  -7.628
  183   2HE   MET  24          1HE       MET  24   0.430  -6.882  -6.882
  184   3HE   MET  24          3HE       MET  24  -1.285  -6.467  -6.467
  185    H    GLN  25           H        GLN  25  -0.221  -8.020  -8.020
  186    HA   GLN  25           HA       GLN  25   0.820 -10.048 -10.048
  187   1HB   GLN  25          2HB       GLN  25  -1.104 -10.131 -10.131
  188   2HB   GLN  25          1HB       GLN  25  -0.053 -10.008 -10.008
  189   1HG   GLN  25          2HG       GLN  25   0.782 -12.198 -12.198
  190   2HG   GLN  25          1HG       GLN  25   0.214 -12.281 -12.281
  191   1HE2  GLN  25          2HE2      GLN  25  -3.131 -12.122 -12.122
  192   2HE2  GLN  25          1HE2      GLN  25  -2.148 -10.763 -10.763
  193    H    ALA  26           H        ALA  26   2.098  -9.376  -9.376
  194    HA   ALA  26           HA       ALA  26   4.262 -11.260 -11.260
  195   1HB   ALA  26          2HB       ALA  26   3.760  -8.772  -8.772
  196   2HB   ALA  26          1HB       ALA  26   5.334  -9.601  -9.601
  197   3HB   ALA  26          3HB       ALA  26   3.840 -10.456 -10.456
  198    H    ALA  27           H        ALA  27   4.089  -7.738  -7.738
  199    HA   ALA  27           HA       ALA  27   6.724  -7.240  -7.240
  200   1HB   ALA  27          3HB       ALA  27   3.977  -6.057  -6.057
  201   2HB   ALA  27          2HB       ALA  27   5.258  -5.401  -5.401
  202   3HB   ALA  27          1HB       ALA  27   5.417  -5.365  -5.365
  203    H    VAL  28           H        VAL  28   3.756  -7.532  -7.532
  204    HA   VAL  28           HA       VAL  28   4.335  -7.637  -7.637
  205    HB   VAL  28           HB       VAL  28   2.517  -8.749  -8.749
  206   1HG1  VAL  28          2HG1      VAL  28   3.389 -10.685 -10.685
  207   2HG1  VAL  28          1HG1      VAL  28   1.701 -10.647 -10.647
  208   3HG1  VAL  28          3HG1      VAL  28   2.959 -11.001 -11.001
  209   1HG2  VAL  28          1HG2      VAL  28   2.161  -7.114  -7.114
  210   2HG2  VAL  28          3HG2      VAL  28   0.890  -8.294  -8.294
  211   3HG2  VAL  28          2HG2      VAL  28   1.996  -8.551  -8.551
  212    H    SER  29           H        SER  29   4.666 -10.614 -10.614
  213    HA   SER  29           HA       SER  29   6.065 -12.147 -12.147
  214   1HB   SER  29          2HB       SER  29   5.535 -13.605 -13.605
  215   2HB   SER  29          1HB       SER  29   5.120 -12.263 -12.263
  216    HG   SER  29           HG       SER  29   6.805 -12.884 -12.884
  217    H    ASN  30           H        ASN  30   7.150 -10.338 -10.338
  218    HA   ASN  30           HA       ASN  30   9.958 -10.701 -10.701
  219   1HB   ASN  30          2HB       ASN  30   8.015  -8.945  -8.945
  220   2HB   ASN  30          1HB       ASN  30   9.604  -8.220  -8.220
  221   1HD2  ASN  30          2HD2      ASN  30   9.100 -11.098 -11.098
  222   2HD2  ASN  30          1HD2      ASN  30   7.803 -10.461 -10.461
  223    H    GLY  31           H        GLY  31   7.647  -9.072  -9.072
  224   1HA   GLY  31          2HA       GLY  31   8.123  -8.033  -8.033
  225   2HA   GLY  31          1HA       GLY  31   9.822  -7.911  -7.911
  226    H    ILE  32           H        ILE  32   8.463  -6.842  -6.842
  227    HA   ILE  32           HA       ILE  32   9.116  -4.154  -4.154
  228    HB   ILE  32           HB       ILE  32   7.028  -5.758  -5.758
  229   1HG1  ILE  32          2HG1      ILE  32   9.487  -4.189  -4.189
  230   2HG1  ILE  32          1HG1      ILE  32   9.317  -5.943  -5.943
  231   1HG2  ILE  32          3HG2      ILE  32   7.305  -2.746  -2.746
  232   2HG2  ILE  32          2HG2      ILE  32   6.630  -3.645  -3.645
  233   3HG2  ILE  32          1HG2      ILE  32   5.838  -3.699  -3.699
  234   1HD1  ILE  32          1HD1      ILE  32   7.196  -5.147  -5.147
  235   2HD1  ILE  32          3HD1      ILE  32   8.498  -4.062  -4.062
  236   3HD1  ILE  32          2HD1      ILE  32   8.726  -5.809  -5.809
  237    H    TYR  33           H        TYR  33   6.293  -5.774  -5.774
  238    HA   TYR  33           HA       TYR  33   5.429  -3.144  -3.144
  239   1HB   TYR  33          2HB       TYR  33   3.885  -5.603  -5.603
  240   2HB   TYR  33          1HB       TYR  33   3.163  -4.242  -4.242
  241    HD1  TYR  33          2HD       TYR  33   4.466  -1.920  -1.920
  242    HD2  TYR  33          1HD       TYR  33   3.259  -5.459  -5.459
  243    HE1  TYR  33          2HE       TYR  33   4.381  -0.625  -0.625
  244    HE2  TYR  33          1HE       TYR  33   3.184  -4.200  -4.200
  245    HH   TYR  33           HH       TYR  33   4.554  -1.758  -1.758
  246    H    ASP  34           H        ASP  34   7.178  -3.903  -3.903
  247    HA   ASP  34           HA       ASP  34   6.091  -5.811  -5.811
  248   1HB   ASP  34          2HB       ASP  34   8.268  -5.440  -5.440
  249   2HB   ASP  34          1HB       ASP  34   8.527  -5.699  -5.699
  250    H    ILE  35           H        ILE  35   4.829  -3.168  -3.168
  251    HA   ILE  35           HA       ILE  35   5.219  -1.320  -1.320
  252    HB   ILE  35           HB       ILE  35   3.636  -0.014  -0.014
  253   1HG1  ILE  35          2HG1      ILE  35   2.755  -2.654  -2.654
  254   2HG1  ILE  35          1HG1      ILE  35   1.817  -1.606  -1.606
  255   1HG2  ILE  35          1HG2      ILE  35   5.704  -1.443  -1.443
  256   2HG2  ILE  35          3HG2      ILE  35   4.344  -1.135  -1.135
  257   3HG2  ILE  35          2HG2      ILE  35   5.130   0.204   0.204
  258   1HD1  ILE  35          3HD1      ILE  35   2.714  -0.028  -0.028
  259   2HD1  ILE  35          2HD1      ILE  35   2.012  -1.509  -1.509
  260   3HD1  ILE  35          1HD1      ILE  35   1.059  -0.474  -0.474
  261    H    VAL  36           H        VAL  36   2.583  -0.601  -0.601
  262    HA   VAL  36           HA       VAL  36   1.525  -3.026  -3.026
  263    HB   VAL  36           HB       VAL  36   0.765  -1.242  -1.242
  264   1HG1  VAL  36          1HG1      VAL  36   3.634  -1.939  -1.939
  265   2HG1  VAL  36          3HG1      VAL  36   3.234  -0.906  -0.906
  266   3HG1  VAL  36          2HG1      VAL  36   2.591  -2.545  -2.545
  267   1HG2  VAL  36          2HG2      VAL  36   1.381   0.519   0.519
  268   2HG2  VAL  36          1HG2      VAL  36   1.419   0.948   0.948
  269   3HG2  VAL  36          3HG2      VAL  36   2.912   0.515   0.515
  270    H    GLY  37           H        GLY  37   0.013  -3.415  -3.415
  271   1HA   GLY  37          2HA       GLY  37  -2.186  -1.383  -1.383
  272   2HA   GLY  37          1HA       GLY  37  -1.717  -2.359  -2.359
  273    H    ASP  38           H        ASP  38  -4.353  -2.238  -2.238
  274    HA   ASP  38           HA       ASP  38  -4.594  -4.832  -4.832
  275   1HB   ASP  38          2HB       ASP  38  -5.924  -2.369  -2.369
  276   2HB   ASP  38          1HB       ASP  38  -7.064  -3.485  -3.485
  277    H    CYS  39           H        CYS  39  -4.196  -4.071  -4.071
  278    HA   CYS  39           HA       CYS  39  -6.317  -5.385  -5.385
  279   1HB   CYS  39          2HB       CYS  39  -4.612  -5.223  -5.223
  280   2HB   CYS  39          1HB       CYS  39  -4.837  -3.733  -3.733
  281    H    GLY  40           H        GLY  40  -3.202  -6.529  -6.529
  282   1HA   GLY  40          2HA       GLY  40  -2.253  -8.694  -8.694
  283   2HA   GLY  40          1HA       GLY  40  -3.896  -9.196  -9.196
  284    H    GLY  41           H        GLY  41  -3.101  -7.531  -7.531
  285   1HA   GLY  41          2HA       GLY  41  -2.978  -8.329  -8.329
  286   2HA   GLY  41          1HA       GLY  41  -3.041  -9.981  -9.981
  287    H    SER  42           H        SER  42  -5.368  -7.425  -7.425
  288    HA   SER  42           HA       SER  42  -7.400  -8.799  -8.799
  289   1HB   SER  42          2HB       SER  42  -7.143  -9.397  -9.397
  290   2HB   SER  42          1HB       SER  42  -8.154  -7.964  -7.964
  291    HG   SER  42           HG       SER  42  -8.727 -10.097 -10.097
  292    H    ALA  43           H        ALA  43  -5.919  -5.979  -5.979
  293    HA   ALA  43           HA       ALA  43  -6.495  -3.768  -3.768
  294   1HB   ALA  43          3HB       ALA  43  -8.293  -5.524  -5.524
  295   2HB   ALA  43          2HB       ALA  43  -9.244  -4.176  -4.176
  296   3HB   ALA  43          1HB       ALA  43  -7.885  -3.876  -3.876
  297    H    SER  44           H        SER  44  -6.562  -4.231  -4.231
  298    HA   SER  44           HA       SER  44  -8.902  -2.730  -2.730
  299   1HB   SER  44          2HB       SER  44  -8.158  -5.407  -5.407
  300   2HB   SER  44          1HB       SER  44  -7.659  -4.494  -4.494
  301    HG   SER  44           HG       SER  44 -10.174  -5.064  -5.064
  302    H    CYS  45           H        CYS  45  -6.155  -1.932  -1.932
  303    HA   CYS  45           HA       CYS  45  -4.908  -1.251  -1.251
  304   1HB   CYS  45          2HB       CYS  45  -2.862  -0.852  -0.852
  305   2HB   CYS  45          1HB       CYS  45  -3.382  -2.486  -2.486
  306    H    ALA  46           H        ALA  46  -4.029   0.697   0.697
  307    HA   ALA  46           HA       ALA  46  -4.980   3.028   3.028
  308   1HB   ALA  46          1HB       ALA  46  -4.369   2.608   2.608
  309   2HB   ALA  46          3HB       ALA  46  -4.710   4.190   4.190
  310   3HB   ALA  46          2HB       ALA  46  -5.944   2.932   2.932
  311    H    THR  47           H        THR  47  -2.280   1.166   1.166
  312    HA   THR  47           HA       THR  47  -0.397   3.488   3.488
  313    HB   THR  47           HB       THR  47  -0.081   2.102   2.102
  314    HG1  THR  47          1HG       THR  47   1.924   2.362   2.362
  315   1HG2  THR  47          3HG2      THR  47  -0.574  -0.099  -0.099
  316   2HG2  THR  47          2HG2      THR  47   0.430  -0.440  -0.440
  317   3HG2  THR  47          1HG2      THR  47  -1.229   0.121   0.121
  318    H    CYS  48           H        CYS  48  -1.374   0.586   0.586
  319    HA   CYS  48           HA       CYS  48   1.015   0.568   0.568
  320   1HB   CYS  48          2HB       CYS  48  -1.669  -0.675  -0.675
  321   2HB   CYS  48          1HB       CYS  48  -0.098  -1.165  -1.165
  322    H    HIS  49           H        HIS  49  -1.007   3.026   3.026
  323    HA   HIS  49           HA       HIS  49  -2.217   3.528   3.528
  324   1HB   HIS  49          2HB       HIS  49  -2.365   5.017   5.017
  325   2HB   HIS  49          1HB       HIS  49  -0.633   5.332   5.332
  326    HD1  HIS  49          1HD       HIS  49  -0.028   6.165   6.165
  327    HD2  HIS  49          2HD       HIS  49  -3.689   7.200   7.200
  328    HE1  HIS  49          1HE       HIS  49  -0.938   8.074   8.074
  329    H    VAL  50           H        VAL  50  -1.342   3.957   3.957
  330    HA   VAL  50           HA       VAL  50   1.466   4.774   4.774
  331    HB   VAL  50           HB       VAL  50   1.925   2.699   2.699
  332   1HG1  VAL  50          3HG1      VAL  50   2.727   3.094   3.094
  333   2HG1  VAL  50          2HG1      VAL  50   1.375   2.096   2.096
  334   3HG1  VAL  50          1HG1      VAL  50   2.629   1.405   1.405
  335   1HG2  VAL  50          2HG2      VAL  50  -0.549   2.127   2.127
  336   2HG2  VAL  50          1HG2      VAL  50   0.516   0.780   0.780
  337   3HG2  VAL  50          3HG2      VAL  50  -0.423   1.577   1.577
  338    H    TYR  51           H        TYR  51   1.979   4.907   4.907
  339    HA   TYR  51           HA       TYR  51  -0.529   5.570   5.570
  340   1HB   TYR  51          2HB       TYR  51   2.170   6.869   6.869
  341   2HB   TYR  51          1HB       TYR  51   1.090   7.281   7.281
  342    HD1  TYR  51          1HD       TYR  51  -1.333   6.548   6.548
  343    HD2  TYR  51          2HD       TYR  51   1.926   9.372   9.372
  344    HE1  TYR  51          1HE       TYR  51  -2.605   8.115   8.115
  345    HE2  TYR  51          2HE       TYR  51   0.614  10.953  10.953
  346    HH   TYR  51           HH       TYR  51  -1.491  11.411  11.411
  347    H    VAL  52           H        VAL  52  -0.843   4.352   4.352
  348    HA   VAL  52           HA       VAL  52   1.381   2.755   2.755
  349    HB   VAL  52           HB       VAL  52  -1.571   2.938   2.938
  350   1HG1  VAL  52          3HG1      VAL  52   0.365   1.834   1.834
  351   2HG1  VAL  52          2HG1      VAL  52   0.027   0.469   0.469
  352   3HG1  VAL  52          1HG1      VAL  52  -1.270   1.172   1.172
  353   1HG2  VAL  52          3HG2      VAL  52  -0.326   1.952   1.952
  354   2HG2  VAL  52          2HG2      VAL  52  -1.990   1.675   1.675
  355   3HG2  VAL  52          1HG2      VAL  52  -0.729   0.528   0.528
  356    H    ASN  53           H        ASN  53   2.033   3.067   3.067
  357    HA   ASN  53           HA       ASN  53   1.758   5.821   5.821
  358   1HB   ASN  53          2HB       ASN  53   2.957   4.927   4.927
  359   2HB   ASN  53          1HB       ASN  53   3.779   4.553   4.553
  360   1HD2  ASN  53          2HD2      ASN  53   1.874   1.178   1.178
  361   2HD2  ASN  53          1HD2      ASN  53   1.133   2.501   2.501
  362    H    GLU  54           H        GLU  54   0.246   6.638   6.638
  363    HA   GLU  54           HA       GLU  54  -2.244   5.599   5.599
  364   1HB   GLU  54          2HB       GLU  54  -2.152   7.066   7.066
  365   2HB   GLU  54          1HB       GLU  54  -1.647   7.852   7.852
  366   1HG   GLU  54          2HG       GLU  54   0.612   6.525   6.525
  367   2HG   GLU  54          1HG       GLU  54  -0.150   7.596   7.596
  368    H    ALA  55           H        ALA  55   0.728   4.662   4.662
  369    HA   ALA  55           HA       ALA  55  -0.353   3.422   3.422
  370   1HB   ALA  55          1HB       ALA  55   2.092   2.961   2.961
  371   2HB   ALA  55          3HB       ALA  55   1.827   2.081   2.081
  372   3HB   ALA  55          2HB       ALA  55   1.990   3.837   3.837
  373    H    PHE  56           H        PHE  56  -0.527   2.454   2.454
  374    HA   PHE  56           HA       PHE  56  -1.617  -0.195  -0.195
  375   1HB   PHE  56          2HB       PHE  56   0.252   0.507   0.507
  376   2HB   PHE  56          1HB       PHE  56  -0.520  -1.066  -1.066
  377    HD1  PHE  56          1HD       PHE  56   1.608   1.397   1.397
  378    HD2  PHE  56          2HD       PHE  56   0.428  -2.759  -2.759
  379    HE1  PHE  56          1HE       PHE  56   3.270   0.797   0.797
  380    HE2  PHE  56          2HE       PHE  56   2.089  -3.309  -3.309
  381    HZ   PHE  56           HZ       PHE  56   3.512  -1.553  -1.553
  382    H    THR  57           H        THR  57  -2.158   2.692   2.692
  383    HA   THR  57           HA       THR  57  -3.991   1.573   1.573
  384    HB   THR  57           HB       THR  57  -4.126   3.773   3.773
  385    HG1  THR  57          1HG       THR  57  -3.739   4.540   4.540
  386   1HG2  THR  57          2HG2      THR  57  -1.603   2.957   2.957
  387   2HG2  THR  57          1HG2      THR  57  -1.754   4.602   4.602
  388   3HG2  THR  57          3HG2      THR  57  -1.941   4.285   4.285
  389    H    ASP  58           H        ASP  58  -4.237   3.230   3.230
  390    HA   ASP  58           HA       ASP  58  -7.143   3.319   3.319
  391   1HB   ASP  58          2HB       ASP  58  -6.560   4.804   4.804
  392   2HB   ASP  58          1HB       ASP  58  -4.886   4.275   4.275
  393    H    LYS  59           H        LYS  59  -4.857   0.863   0.863
  394    HA   LYS  59           HA       LYS  59  -6.295  -0.787  -0.787
  395   1HB   LYS  59          2HB       LYS  59  -4.311  -1.660  -1.660
  396   2HB   LYS  59          1HB       LYS  59  -4.534  -2.324  -2.324
  397   1HG   LYS  59          2HG       LYS  59  -3.272   0.323   0.323
  398   2HG   LYS  59          1HG       LYS  59  -2.546  -1.012  -1.012
  399   1HD   LYS  59          2HD       LYS  59  -4.865   0.683   0.683
  400   2HD   LYS  59          1HD       LYS  59  -3.195   0.826   0.826
  401   1HE   LYS  59          2HE       LYS  59  -3.239  -1.380  -1.380
  402   2HE   LYS  59          1HE       LYS  59  -4.803  -1.741  -1.741
  403   1HZ   LYS  59          2HZ       LYS  59  -4.616   0.695   0.695
  404   2HZ   LYS  59          1HZ       LYS  59  -4.636  -0.776  -0.776
  405   3HZ   LYS  59          3HZ       LYS  59  -5.918  -0.379  -0.379
  406    H    VAL  60           H        VAL  60  -5.463  -0.970  -0.970
  407    HA   VAL  60           HA       VAL  60  -7.296  -3.103  -3.103
  408    HB   VAL  60           HB       VAL  60  -4.859  -2.152  -2.152
  409   1HG1  VAL  60          3HG1      VAL  60  -6.007  -0.182  -0.182
  410   2HG1  VAL  60          2HG1      VAL  60  -6.523  -1.295  -1.295
  411   3HG1  VAL  60          1HG1      VAL  60  -4.804  -1.024  -1.024
  412   1HG2  VAL  60          1HG2      VAL  60  -6.782  -3.843  -3.843
  413   2HG2  VAL  60          3HG2      VAL  60  -5.408  -4.320  -4.320
  414   3HG2  VAL  60          2HG2      VAL  60  -5.135  -3.563  -3.563
  415    HA   PRO  61           HA       PRO  61 -10.683  -0.381  -0.381
  416   1HB   PRO  61          2HB       PRO  61 -12.189  -2.146  -2.146
  417   2HB   PRO  61          1HB       PRO  61 -12.068  -2.170  -2.170
  418   1HG   PRO  61          2HG       PRO  61 -10.666  -3.856  -3.856
  419   2HG   PRO  61          1HG       PRO  61 -11.346  -4.316  -4.316
  420   1HD   PRO  61          2HD       PRO  61  -8.688  -3.917  -3.917
  421   2HD   PRO  61          1HD       PRO  61  -9.497  -3.596  -3.596
  422    H    ALA  62           H        ALA  62 -11.737   0.586   0.586
  423    HA   ALA  62           HA       ALA  62 -10.021   1.055   1.055
  424   1HB   ALA  62          3HB       ALA  62 -11.911   2.379   2.379
  425   2HB   ALA  62          2HB       ALA  62 -12.693   2.212   2.212
  426   3HB   ALA  62          1HB       ALA  62 -11.131   3.023   3.023
  427    H    ALA  63           H        ALA  63 -11.309   1.250   1.250
  428    HA   ALA  63           HA       ALA  63 -12.756  -1.331  -1.331
  429   1HB   ALA  63          1HB       ALA  63 -10.538   0.003   0.003
  430   2HB   ALA  63          3HB       ALA  63 -11.841  -0.059  -0.059
  431   3HB   ALA  63          2HB       ALA  63 -11.245  -1.549  -1.549
  432    H    ASN  64           H        ASN  64 -13.603  -0.465  -0.465
  433    HA   ASN  64           HA       ASN  64 -15.902   1.237   1.237
  434   1HB   ASN  64          2HB       ASN  64 -16.919   0.277   0.277
  435   2HB   ASN  64          1HB       ASN  64 -16.258  -1.005  -1.005
  436   1HD2  ASN  64          2HD2      ASN  64 -15.047  -1.572  -1.572
  437   2HD2  ASN  64          1HD2      ASN  64 -16.578  -1.493  -1.493
  438    H    GLU  65           H        GLU  65 -16.236   1.708   1.708
  439    HA   GLU  65           HA       GLU  65 -14.860   4.291   4.291
  440   1HB   GLU  65          2HB       GLU  65 -16.190   4.608   4.608
  441   2HB   GLU  65          1HB       GLU  65 -17.196   3.704   3.704
  442   1HG   GLU  65          2HG       GLU  65 -16.062   1.621   1.621
  443   2HG   GLU  65          1HG       GLU  65 -15.895   2.786   2.786
  444    H    ARG  66           H        ARG  66 -14.189   1.075   1.075
  445    HA   ARG  66           HA       ARG  66 -12.501   1.723   1.723
  446   1HB   ARG  66          2HB       ARG  66 -13.169  -0.595  -0.595
  447   2HB   ARG  66          1HB       ARG  66 -11.612  -0.683  -0.683
  448   1HG   ARG  66          2HG       ARG  66 -14.331  -0.304  -0.304
  449   2HG   ARG  66          1HG       ARG  66 -13.260  -1.696  -1.696
  450   1HD   ARG  66          2HD       ARG  66 -11.600   0.336   0.336
  451   2HD   ARG  66          1HD       ARG  66 -13.171   0.895   0.895
  452    HE   ARG  66           HE       ARG  66 -12.863  -1.919  -1.919
  453   1HH1  ARG  66          1HH1      ARG  66 -13.756   0.451   0.451
  454   2HH1  ARG  66          2HH1      ARG  66 -12.585   0.309   0.309
  455   1HH2  ARG  66          1HH2      ARG  66 -10.496  -1.791  -1.791
  456   2HH2  ARG  66          2HH2      ARG  66 -10.739  -0.961  -0.961
  457    H    GLU  67           H        GLU  67 -11.715   0.789   0.789
  458    HA   GLU  67           HA       GLU  67  -8.910   1.101   1.101
  459   1HB   GLU  67          2HB       GLU  67 -10.028   0.019   0.019
  460   2HB   GLU  67          1HB       GLU  67 -10.963   1.474   1.474
  461   1HG   GLU  67          2HG       GLU  67  -8.172   2.133   2.133
  462   2HG   GLU  67          1HG       GLU  67  -8.430   0.731   0.731
  463    H    ILE  68           H        ILE  68 -11.411   3.461   3.461
  464    HA   ILE  68           HA       ILE  68  -9.678   5.648   5.648
  465    HB   ILE  68           HB       ILE  68 -12.551   5.272   5.272
  466   1HG1  ILE  68          2HG1      ILE  68 -12.989   5.946   5.946
  467   2HG1  ILE  68          1HG1      ILE  68 -11.301   6.395   6.395
  468   1HG2  ILE  68          1HG2      ILE  68 -10.995   7.702   7.702
  469   2HG2  ILE  68          3HG2      ILE  68 -12.260   7.897   7.897
  470   3HG2  ILE  68          2HG2      ILE  68 -12.682   7.415   7.415
  471   1HD1  ILE  68          2HD1      ILE  68 -11.986   3.580   3.580
  472   2HD1  ILE  68          1HD1      ILE  68 -12.144   4.061   4.061
  473   3HD1  ILE  68          3HD1      ILE  68 -10.580   4.168   4.168
  474    H    GLY  69           H        GLY  69 -11.715   5.276   5.276
  475   1HA   GLY  69          2HA       GLY  69 -10.113   7.209   7.209
  476   2HA   GLY  69          1HA       GLY  69 -11.377   6.213   6.213
  477    H    MET  70           H        MET  70 -10.393   3.649   3.649
  478    HA   MET  70           HA       MET  70  -8.582   3.103   3.103
  479   1HB   MET  70          2HB       MET  70  -9.887   1.696   1.696
  480   2HB   MET  70          1HB       MET  70  -8.332   1.709   1.709
  481   1HG   MET  70          2HG       MET  70  -7.361   0.461   0.461
  482   2HG   MET  70          1HG       MET  70  -8.628   0.881   0.881
  483   1HE   MET  70          2HE       MET  70  -8.318  -0.008  -0.008
  484   2HE   MET  70          1HE       MET  70  -7.496  -1.439  -1.439
  485   3HE   MET  70          3HE       MET  70  -9.037  -1.621  -1.621
  486    H    LEU  71           H        LEU  71  -7.993   3.471   3.471
  487    HA   LEU  71           HA       LEU  71  -5.151   3.449   3.449
  488   1HB   LEU  71          2HB       LEU  71  -6.841   2.966   2.966
  489   2HB   LEU  71          1HB       LEU  71  -7.240   4.689   4.689
  490    HG   LEU  71           HG       LEU  71  -4.897   3.271   3.271
  491   1HD1  LEU  71          3HD1      LEU  71  -6.811   5.422   5.422
  492   2HD1  LEU  71          2HD1      LEU  71  -5.163   5.680   5.680
  493   3HD1  LEU  71          1HD1      LEU  71  -6.057   4.225   4.225
  494   1HD2  LEU  71          3HD2      LEU  71  -4.653   6.031   6.031
  495   2HD2  LEU  71          2HD2      LEU  71  -3.712   4.613   4.613
  496   3HD2  LEU  71          1HD2      LEU  71  -3.505   5.339   5.339
  497    H    GLU  72           H        GLU  72  -7.472   6.191   6.191
  498    HA   GLU  72           HA       GLU  72  -5.322   8.140   8.140
  499   1HB   GLU  72          2HB       GLU  72  -7.059   8.843   8.843
  500   2HB   GLU  72          1HB       GLU  72  -8.315   8.196   8.196
  501   1HG   GLU  72          2HG       GLU  72  -8.194   9.979   9.979
  502   2HG   GLU  72          1HG       GLU  72  -6.514  10.351  10.351
  503    H    CYS  73           H        CYS  73  -6.225   6.008   6.008
  504    HA   CYS  73           HA       CYS  73  -7.528   7.209   7.209
  505   1HB   CYS  73          2HB       CYS  73  -5.397   5.166   5.166
  506   2HB   CYS  73          1HB       CYS  73  -5.570   5.793   5.793
  507    HG   CYS  73           HG       CYS  73  -8.208   5.134   5.134
  508    H    VAL  74           H        VAL  74  -4.419   7.832   7.832
  509    HA   VAL  74           HA       VAL  74  -3.541   9.566   9.566
  510    HB   VAL  74           HB       VAL  74  -1.429   9.349   9.349
  511   1HG1  VAL  74          3HG1      VAL  74  -2.701   7.065   7.065
  512   2HG1  VAL  74          2HG1      VAL  74  -2.598   7.002   7.002
  513   3HG1  VAL  74          1HG1      VAL  74  -1.126   7.110   7.110
  514   1HG2  VAL  74          1HG2      VAL  74  -3.022   9.654   9.654
  515   2HG2  VAL  74          3HG2      VAL  74  -1.405  10.253  10.253
  516   3HG2  VAL  74          2HG2      VAL  74  -1.629   8.584   8.584
  517    H    THR  75           H        THR  75  -2.292  11.505  11.505
  518    HA   THR  75           HA       THR  75  -4.779  12.839  12.839
  519    HB   THR  75           HB       THR  75  -3.786  13.690  13.690
  520    HG1  THR  75          1HG       THR  75  -3.943  15.341  15.341
  521   1HG2  THR  75          2HG2      THR  75  -1.415  13.553  13.553
  522   2HG2  THR  75          1HG2      THR  75  -1.735  15.270  15.270
  523   3HG2  THR  75          3HG2      THR  75  -1.596  14.188  14.188
  524    H    ALA  76           H        ALA  76  -3.415  11.370  11.370
  525    HA   ALA  76           HA       ALA  76  -1.396  13.130  13.130
  526   1HB   ALA  76          1HB       ALA  76  -1.654  10.399  10.399
  527   2HB   ALA  76          3HB       ALA  76  -2.103  10.588  10.588
  528   3HB   ALA  76          2HB       ALA  76  -0.532  11.157  11.157
  529    H    GLU  77           H        GLU  77  -4.301  13.826  13.826
  530    HA   GLU  77           HA       GLU  77  -6.052  14.307  14.307
  531   1HB   GLU  77          2HB       GLU  77  -5.112  15.650  15.650
  532   2HB   GLU  77          1HB       GLU  77  -4.330  16.039  16.039
  533   1HG   GLU  77          2HG       GLU  77  -2.398  14.728  14.728
  534   2HG   GLU  77          1HG       GLU  77  -3.207  14.022  14.022
  535    H    LEU  78           H        LEU  78  -6.043  11.755  11.755
  536    HA   LEU  78           HA       LEU  78  -5.371   9.880   9.880
  537   1HB   LEU  78          2HB       LEU  78  -7.530  10.284  10.284
  538   2HB   LEU  78          1HB       LEU  78  -8.245  10.681  10.681
  539    HG   LEU  78           HG       LEU  78  -7.449   8.512   8.512
  540   1HD1  LEU  78          3HD1      LEU  78  -5.905   8.561   8.561
  541   2HD1  LEU  78          2HD1      LEU  78  -6.937   7.131   7.131
  542   3HD1  LEU  78          1HD1      LEU  78  -5.829   7.398   7.398
  543   1HD2  LEU  78          3HD2      LEU  78  -9.672   8.919   8.919
  544   2HD2  LEU  78          2HD2      LEU  78  -9.192   7.270   7.270
  545   3HD2  LEU  78          1HD2      LEU  78  -8.911   7.904   7.904
  546    H    LYS  79           H        LYS  79  -5.003   9.537   9.537
  547    HA   LYS  79           HA       LYS  79  -5.839  11.627  11.627
  548   1HB   LYS  79          2HB       LYS  79  -4.114   9.242   9.242
  549   2HB   LYS  79          1HB       LYS  79  -4.008  10.883  10.883
  550   1HG   LYS  79          2HG       LYS  79  -3.297  11.633  11.633
  551   2HG   LYS  79          1HG       LYS  79  -3.170   9.931   9.931
  552   1HD   LYS  79          2HD       LYS  79  -1.090   9.966   9.966
  553   2HD   LYS  79          1HD       LYS  79  -1.837  10.124  10.124
  554   1HE   LYS  79          2HE       LYS  79  -2.000  12.670  12.670
  555   2HE   LYS  79          1HE       LYS  79  -0.672  12.256  12.256
  556   1HZ   LYS  79          3HZ       LYS  79   0.479  11.200  11.200
  557   2HZ   LYS  79          2HZ       LYS  79  -0.769  11.674  11.674
  558   3HZ   LYS  79          1HZ       LYS  79   0.208  12.846  12.846
  559    HA   PRO  80           HA       PRO  80  -8.532   8.771   8.771
  560   1HB   PRO  80          2HB       PRO  80  -7.687   8.565   8.565
  561   2HB   PRO  80          1HB       PRO  80  -8.438  10.034  10.034
  562   1HG   PRO  80          2HG       PRO  80  -5.624   9.486   9.486
  563   2HG   PRO  80          1HG       PRO  80  -6.492  11.024  11.024
  564   1HD   PRO  80          2HD       PRO  80  -4.729   9.990   9.990
  565   2HD   PRO  80          1HD       PRO  80  -5.776  11.415  11.415
  566    H    ASN  81           H        ASN  81  -5.142   7.978   7.978
  567    HA   ASN  81           HA       ASN  81  -5.826   5.107   5.107
  568   1HB   ASN  81          2HB       ASN  81  -3.355   5.050   5.050
  569   2HB   ASN  81          1HB       ASN  81  -4.369   6.038   6.038
  570   1HD2  ASN  81          2HD2      ASN  81  -1.244   7.798   7.798
  571   2HD2  ASN  81          1HD2      ASN  81  -1.397   6.143   6.143
  572    H    SER  82           H        SER  82  -4.876   7.188   7.188
  573    HA   SER  82           HA       SER  82  -2.925   5.778   5.778
  574   1HB   SER  82          2HB       SER  82  -5.426   6.823   6.823
  575   2HB   SER  82          1HB       SER  82  -3.765   6.931   6.931
  576    HG   SER  82           HG       SER  82  -3.538   8.191   8.191
  577    H    ARG  83           H        ARG  83  -2.937   3.941   3.941
  578    HA   ARG  83           HA       ARG  83  -5.445   2.521   2.521
  579   1HB   ARG  83          2HB       ARG  83  -3.346   1.546   1.546
  580   2HB   ARG  83          1HB       ARG  83  -4.495   0.451   0.451
  581   1HG   ARG  83          2HG       ARG  83  -5.182   2.821   2.821
  582   2HG   ARG  83          1HG       ARG  83  -5.339   1.122   1.122
  583   1HD   ARG  83          2HD       ARG  83  -6.716   1.394   1.394
  584   2HD   ARG  83          1HD       ARG  83  -7.211   2.778   2.778
  585    HE   ARG  83           HE       ARG  83  -7.789  -0.014  -0.014
  586   1HH1  ARG  83          1HH2      ARG  83  -8.452   3.133   3.133
  587   2HH1  ARG  83          2HH2      ARG  83  -8.701   2.836   2.836
  588   1HH2  ARG  83          1HH1      ARG  83  -7.541  -0.429  -0.429
  589   2HH2  ARG  83          2HH1      ARG  83  -8.186   0.818   0.818
  590    H    LEU  84           H        LEU  84  -5.104   0.884   0.884
  591    HA   LEU  84           HA       LEU  84  -2.729   1.233   1.233
  592   1HB   LEU  84          2HB       LEU  84  -5.226  -0.442  -0.442
  593   2HB   LEU  84          1HB       LEU  84  -3.920  -0.949  -0.949
  594    HG   LEU  84           HG       LEU  84  -5.051   1.841   1.841
  595   1HD1  LEU  84          3HD1      LEU  84  -6.589  -0.225  -0.225
  596   2HD1  LEU  84          2HD1      LEU  84  -5.751  -0.315  -0.315
  597   3HD1  LEU  84          1HD1      LEU  84  -6.682   1.141   1.141
  598   1HD2  LEU  84          2HD2      LEU  84  -2.746   0.846   0.846
  599   2HD2  LEU  84          1HD2      LEU  84  -3.664   2.167   2.167
  600   3HD2  LEU  84          3HD2      LEU  84  -3.883   0.517   0.517
  601    H    SER  85           H        SER  85  -0.992  -0.385  -0.385
  602    HA   SER  85           HA       SER  85  -0.152  -1.695  -1.695
  603   1HB   SER  85          2HB       SER  85   0.184  -2.751  -2.751
  604   2HB   SER  85          1HB       SER  85   1.232  -3.052  -3.052
  605    HG   SER  85           HG       SER  85   1.412  -0.651  -0.651
  606    H    CYS  86           H        CYS  86  -2.644  -2.588  -2.588
  607    HA   CYS  86           HA       CYS  86  -3.058  -5.234  -5.234
  608   1HB   CYS  86          2HB       CYS  86  -4.354  -4.351  -4.351
  609   2HB   CYS  86          1HB       CYS  86  -3.876  -5.967  -5.967
  610    H    GLN  87           H        GLN  87  -3.933  -3.024  -3.024
  611    HA   GLN  87           HA       GLN  87  -6.895  -3.097  -3.097
  612   1HB   GLN  87          2HB       GLN  87  -5.240  -0.957  -0.957
  613   2HB   GLN  87          1HB       GLN  87  -5.673  -0.795  -0.795
  614   1HG   GLN  87          2HG       GLN  87  -7.266   0.428   0.428
  615   2HG   GLN  87          1HG       GLN  87  -8.065  -0.904  -0.904
  616   1HE2  GLN  87          2HE2      GLN  87  -7.201  -2.283  -2.283
  617   2HE2  GLN  87          1HE2      GLN  87  -6.007  -2.051  -2.051
  618    H    ILE  88           H        ILE  88  -4.277  -2.844  -2.844
  619    HA   ILE  88           HA       ILE  88  -6.206  -3.453  -3.453
  620    HB   ILE  88           HB       ILE  88  -3.341  -2.990  -2.990
  621   1HG1  ILE  88          2HG1      ILE  88  -5.085  -0.780  -0.780
  622   2HG1  ILE  88          1HG1      ILE  88  -3.587  -1.393  -1.393
  623   1HG2  ILE  88          2HG2      ILE  88  -5.780  -2.939  -2.939
  624   2HG2  ILE  88          1HG2      ILE  88  -5.353  -1.235  -1.235
  625   3HG2  ILE  88          3HG2      ILE  88  -4.241  -2.352  -2.352
  626   1HD1  ILE  88          2HD1      ILE  88  -3.547  -0.407  -0.407
  627   2HD1  ILE  88          1HD1      ILE  88  -3.551   0.776   0.776
  628   3HD1  ILE  88          3HD1      ILE  88  -2.251  -0.410  -0.410
  629    H    ILE  89           H        ILE  89  -5.697  -5.175  -5.175
  630    HA   ILE  89           HA       ILE  89  -4.054  -7.351  -7.351
  631    HB   ILE  89           HB       ILE  89  -6.507  -7.235  -7.235
  632   1HG1  ILE  89          2HG1      ILE  89  -7.032  -7.203  -7.203
  633   2HG1  ILE  89          1HG1      ILE  89  -7.293  -8.867  -8.867
  634   1HG2  ILE  89          3HG2      ILE  89  -4.901  -8.884  -8.884
  635   2HG2  ILE  89          2HG2      ILE  89  -4.854  -9.695  -9.695
  636   3HG2  ILE  89          1HG2      ILE  89  -6.355  -9.649  -9.649
  637   1HD1  ILE  89          1HD1      ILE  89  -4.871  -9.309  -9.309
  638   2HD1  ILE  89          3HD1      ILE  89  -4.953  -7.744  -7.744
  639   3HD1  ILE  89          2HD1      ILE  89  -6.049  -9.042  -9.042
  640    H    MET  90           H        MET  90  -2.912  -8.740  -8.740
  641    HA   MET  90           HA       MET  90  -1.923  -7.058  -7.058
  642   1HB   MET  90          2HB       MET  90  -0.604  -8.179  -8.179
  643   2HB   MET  90          1HB       MET  90  -0.471  -9.475  -9.475
  644   1HG   MET  90          2HG       MET  90   1.442  -7.902  -7.902
  645   2HG   MET  90          1HG       MET  90   0.496  -7.927  -7.927
  646   1HE   MET  90          2HE       MET  90   0.321  -6.421  -6.421
  647   2HE   MET  90          1HE       MET  90  -0.799  -5.093  -5.093
  648   3HE   MET  90          3HE       MET  90   0.946  -4.803  -4.803
  649    H    THR  91           H        THR  91  -3.093  -7.675  -7.675
  650    HA   THR  91           HA       THR  91  -3.825 -10.513 -10.513
  651    HB   THR  91           HB       THR  91  -4.725  -9.302  -9.302
  652    HG1  THR  91          1HG       THR  91  -3.508  -7.399  -7.399
  653   1HG2  THR  91          3HG2      THR  91  -5.787  -8.823  -8.823
  654   2HG2  THR  91          2HG2      THR  91  -6.712  -8.546  -8.546
  655   3HG2  THR  91          1HG2      THR  91  -6.182 -10.176 -10.176
  656    HA   PRO  92           HA       PRO  92  -0.503 -11.412 -11.412
  657   1HB   PRO  92          2HB       PRO  92  -1.706 -13.014 -13.014
  658   2HB   PRO  92          1HB       PRO  92  -1.369 -13.542 -13.542
  659   1HG   PRO  92          2HG       PRO  92  -3.924 -12.659 -12.659
  660   2HG   PRO  92          1HG       PRO  92  -3.623 -13.885 -13.885
  661   1HD   PRO  92          2HD       PRO  92  -4.571 -11.346 -11.346
  662   2HD   PRO  92          1HD       PRO  92  -3.743 -12.371 -12.371
  663    H    GLU  93           H        GLU  93  -3.132  -9.545  -9.545
  664    HA   GLU  93           HA       GLU  93  -1.943  -9.053  -9.053
  665   1HB   GLU  93          2HB       GLU  93  -4.127  -8.003  -8.003
  666   2HB   GLU  93          1HB       GLU  93  -4.357  -9.622  -9.622
  667   1HG   GLU  93          2HG       GLU  93  -4.251  -8.072  -8.072
  668   2HG   GLU  93          1HG       GLU  93  -5.088  -7.014  -7.014
  669    H    LEU  94           H        LEU  94  -2.576  -7.579  -7.579
  670    HA   LEU  94           HA       LEU  94  -1.635  -4.914  -4.914
  671   1HB   LEU  94          2HB       LEU  94  -2.652  -5.753  -5.753
  672   2HB   LEU  94          1HB       LEU  94  -2.600  -4.130  -4.130
  673    HG   LEU  94           HG       LEU  94  -4.378  -6.432  -6.432
  674   1HD1  LEU  94          2HD1      LEU  94  -4.816  -3.578  -3.578
  675   2HD1  LEU  94          1HD1      LEU  94  -6.106  -4.619  -4.619
  676   3HD1  LEU  94          3HD1      LEU  94  -5.246  -5.047  -5.047
  677   1HD2  LEU  94          1HD2      LEU  94  -3.305  -5.347  -5.347
  678   2HD2  LEU  94          3HD2      LEU  94  -5.059  -5.150  -5.150
  679   3HD2  LEU  94          2HD2      LEU  94  -4.006  -3.813  -3.813
  680    H    ASP  95           H        ASP  95   0.390  -6.564  -6.564
  681    HA   ASP  95           HA       ASP  95   1.844  -6.599  -6.599
  682   1HB   ASP  95          2HB       ASP  95   3.357  -8.092  -8.092
  683   2HB   ASP  95          1HB       ASP  95   1.714  -8.681  -8.681
  684    H    GLY  96           H        GLY  96   3.916  -5.721  -5.721
  685   1HA   GLY  96          2HA       GLY  96   5.880  -4.523  -4.523
  686   2HA   GLY  96          1HA       GLY  96   4.890  -3.962  -3.962
  687    H    ILE  97           H        ILE  97   3.450  -3.992  -3.992
  688    HA   ILE  97           HA       ILE  97   2.879  -1.189  -1.189
  689    HB   ILE  97           HB       ILE  97   1.330  -2.780  -2.780
  690   1HG1  ILE  97          2HG1      ILE  97   2.331  -1.143  -1.143
  691   2HG1  ILE  97          1HG1      ILE  97   1.686  -0.339  -0.339
  692   1HG2  ILE  97          1HG2      ILE  97   3.518  -3.175  -3.175
  693   2HG2  ILE  97          3HG2      ILE  97   1.887  -3.832  -3.832
  694   3HG2  ILE  97          2HG2      ILE  97   2.962  -4.379  -4.379
  695   1HD1  ILE  97          2HD1      ILE  97  -0.119  -2.422  -2.422
  696   2HD1  ILE  97          1HD1      ILE  97   0.255  -1.629  -1.629
  697   3HD1  ILE  97          3HD1      ILE  97  -0.381  -0.687  -0.687
  698    H    VAL  98           H        VAL  98   3.362   0.433   0.433
  699    HA   VAL  98           HA       VAL  98   5.926   0.130   0.130
  700    HB   VAL  98           HB       VAL  98   4.860   2.614   2.614
  701   1HG1  VAL  98          3HG1      VAL  98   7.518   1.731   1.731
  702   2HG1  VAL  98          2HG1      VAL  98   7.400   3.079   3.079
  703   3HG1  VAL  98          1HG1      VAL  98   6.568   3.155   3.155
  704   1HG2  VAL  98          1HG2      VAL  98   5.134   0.803   0.803
  705   2HG2  VAL  98          3HG2      VAL  98   6.323   2.086   2.086
  706   3HG2  VAL  98          2HG2      VAL  98   6.796   0.569   0.569
  707    H    VAL  99           H        VAL  99   5.624   0.602   0.602
  708    HA   VAL  99           HA       VAL  99   3.077   1.959   1.959
  709    HB   VAL  99           HB       VAL  99   5.049   0.767   0.767
  710   1HG1  VAL  99          2HG1      VAL  99   2.194   1.440   1.440
  711   2HG1  VAL  99          1HG1      VAL  99   2.533  -0.134  -0.134
  712   3HG1  VAL  99          3HG1      VAL  99   3.295   1.329   1.329
  713   1HG2  VAL  99          3HG2      VAL  99   3.707  -0.648  -0.648
  714   2HG2  VAL  99          2HG2      VAL  99   5.086  -1.111  -1.111
  715   3HG2  VAL  99          1HG2      VAL  99   3.448  -1.345  -1.345
  716    H    ASP 100           H        ASP 100   3.541   3.144   3.144
  717    HA   ASP 100           HA       ASP 100   6.149   4.381   4.381
  718   1HB   ASP 100          2HB       ASP 100   3.779   5.813   5.813
  719   2HB   ASP 100          1HB       ASP 100   5.036   6.716   6.716
  720    H    VAL 101           H        VAL 101   6.512   5.196   5.196
  721    HA   VAL 101           HA       VAL 101   4.232   5.072   5.072
  722    HB   VAL 101           HB       VAL 101   7.193   5.438   5.438
  723   1HG1  VAL 101          3HG1      VAL 101   5.022   5.668   5.668
  724   2HG1  VAL 101          2HG1      VAL 101   5.479   3.977   3.977
  725   3HG1  VAL 101          1HG1      VAL 101   6.656   5.257   5.257
  726   1HG2  VAL 101          1HG2      VAL 101   6.091   3.242   3.242
  727   2HG2  VAL 101          3HG2      VAL 101   7.548   3.196   3.196
  728   3HG2  VAL 101          2HG2      VAL 101   5.986   2.774   2.774
  729    HA   PRO 102           HA       PRO 102   4.072   9.485   9.485
  730   1HB   PRO 102          2HB       PRO 102   2.128   9.926   9.926
  731   2HB   PRO 102          1HB       PRO 102   1.800   9.342   9.342
  732   1HG   PRO 102          2HG       PRO 102   2.017   7.799   7.799
  733   2HG   PRO 102          1HG       PRO 102   0.857   7.635   7.635
  734   1HD   PRO 102          2HD       PRO 102   2.937   5.960   5.960
  735   2HD   PRO 102          1HD       PRO 102   2.317   6.449   6.449
  736    H    ASP 103           H        ASP 103   3.662  11.269  11.269
  737    HA   ASP 103           HA       ASP 103   5.969  10.707  10.707
  738   1HB   ASP 103          2HB       ASP 103   5.941  13.263  13.263
  739   2HB   ASP 103          1HB       ASP 103   6.350  12.591  12.591
  740    H    ARG 104           H        ARG 104   2.652  10.700  10.700
  741    HA   ARG 104           HA       ARG 104   2.430  11.765  11.765
  742   1HB   ARG 104          2HB       ARG 104   0.256  11.164  11.164
  743   2HB   ARG 104          1HB       ARG 104   0.110  12.139  12.139
  744   1HG   ARG 104          2HG       ARG 104   2.123  12.908  12.908
  745   2HG   ARG 104          1HG       ARG 104   0.430  13.336  13.336
  746   1HD   ARG 104          2HD       ARG 104   1.531  15.189  15.189
  747   2HD   ARG 104          1HD       ARG 104   0.494  14.377  14.377
  748    HE   ARG 104           HE       ARG 104   3.218  13.299  13.299
  749   1HH1  ARG 104          1HH2      ARG 104   1.740  16.161  16.161
  750   2HH1  ARG 104          2HH2      ARG 104   2.364  16.089  16.089
  751   1HH2  ARG 104          1HH1      ARG 104   3.740  12.930  12.930
  752   2HH2  ARG 104          2HH1      ARG 104   3.496  14.260  14.260
  753    H    GLN 105           H        GLN 105   3.370   9.618   9.618
  754    HA   GLN 105           HA       GLN 105   1.348   7.407   7.407
  755   1HB   GLN 105          2HB       GLN 105   3.593   7.002   7.002
  756   2HB   GLN 105          1HB       GLN 105   4.331   7.358   7.358
  757   1HG   GLN 105          2HG       GLN 105   2.174   5.362   5.362
  758   2HG   GLN 105          1HG       GLN 105   3.554   4.851   4.851
  759   1HE2  GLN 105          2HE2      GLN 105   5.852   5.045   5.045
  760   2HE2  GLN 105          1HE2      GLN 105   5.788   5.384   5.384
  761    H    TRP 106           H        TRP 106   2.325   9.838   9.838
  762    HA   TRP 106           HA       TRP 106   1.533   8.279   8.279
  763   1HB   TRP 106          2HB       TRP 106   3.525   8.705   8.705
  764   2HB   TRP 106          1HB       TRP 106   4.128   8.780   8.780
  765    HD1  TRP 106           HD       TRP 106   5.466  10.875  10.875
  766    HE1  TRP 106          1HE       TRP 106   5.583  13.276  13.276
  767    HE3  TRP 106          3HE       TRP 106   1.756  10.629  10.629
  768    HZ2  TRP 106          2HZ       TRP 106   4.268  14.881  14.881
  769    HZ3  TRP 106          3HZ       TRP 106   1.205  12.603  12.603
  770    HH2  TRP 106           HH       TRP 106   2.456  14.727  14.727

  Start of MODEL   13
    1   1H    SER   1          3HT       SER   1   2.087  -9.949  -9.949
    2   2H    SER   1          2HT       SER   1   0.682  -9.646  -9.646
    3   3H    SER   1          1HT       SER   1   1.292 -11.222 -11.222
    4    HA   SER   1           HA       SER   1   2.584 -10.926 -10.926
    5   1HB   SER   1          2HB       SER   1   0.640  -8.819  -8.819
    6   2HB   SER   1          1HB       SER   1   2.117  -8.172  -8.172
    7    HG   SER   1           HG       SER   1   0.599  -9.262  -9.262
    8    H    LYS   2           H        LYS   2   3.893  -8.559  -8.559
    9    HA   LYS   2           HA       LYS   2   6.218  -8.507  -8.507
   10   1HB   LYS   2          2HB       LYS   2   5.796  -8.316  -8.316
   11   2HB   LYS   2          1HB       LYS   2   5.966  -6.611  -6.611
   12   1HG   LYS   2          2HG       LYS   2   8.090  -7.204  -7.204
   13   2HG   LYS   2          1HG       LYS   2   7.947  -8.835  -8.835
   14   1HD   LYS   2          2HD       LYS   2   9.278  -7.875  -7.875
   15   2HD   LYS   2          1HD       LYS   2   7.684  -7.507  -7.507
   16   1HE   LYS   2          2HE       LYS   2   7.965  -5.269  -5.269
   17   2HE   LYS   2          1HE       LYS   2   8.632  -5.498  -5.498
   18   1HZ   LYS   2          2HZ       LYS   2  10.250  -6.479  -6.479
   19   2HZ   LYS   2          1HZ       LYS   2  10.130  -4.789  -4.789
   20   3HZ   LYS   2          3HZ       LYS   2  10.729  -5.701  -5.701
   21    H    VAL   3           H        VAL   3   6.272  -7.083  -7.083
   22    HA   VAL   3           HA       VAL   3   4.798  -4.508  -4.508
   23    HB   VAL   3           HB       VAL   3   5.026  -6.479  -6.479
   24   1HG1  VAL   3          1HG1      VAL   3   4.459  -3.532  -3.532
   25   2HG1  VAL   3          3HG1      VAL   3   3.666  -4.633  -4.633
   26   3HG1  VAL   3          2HG1      VAL   3   5.427  -4.526  -4.526
   27   1HG2  VAL   3          2HG2      VAL   3   2.904  -5.289  -5.289
   28   2HG2  VAL   3          1HG2      VAL   3   3.107  -6.955  -6.955
   29   3HG2  VAL   3          3HG2      VAL   3   2.467  -5.740  -5.740
   30    H    VAL   4           H        VAL   4   5.757  -2.648  -2.648
   31    HA   VAL   4           HA       VAL   4   8.517  -2.929  -2.929
   32    HB   VAL   4           HB       VAL   4   7.471  -1.322  -1.322
   33   1HG1  VAL   4          2HG1      VAL   4   9.564  -0.521  -0.521
   34   2HG1  VAL   4          1HG1      VAL   4   9.898  -0.225  -0.225
   35   3HG1  VAL   4          3HG1      VAL   4   8.475   0.490   0.490
   36   1HG2  VAL   4          3HG2      VAL   4   9.114  -3.573  -3.573
   37   2HG2  VAL   4          2HG2      VAL   4   8.853  -2.648  -2.648
   38   3HG2  VAL   4          1HG2      VAL   4  10.209  -2.257  -2.257
   39    H    TYR   5           H        TYR   5   8.753  -1.864  -1.864
   40    HA   TYR   5           HA       TYR   5   6.571  -0.048  -0.048
   41   1HB   TYR   5          2HB       TYR   5   8.699  -1.750  -1.750
   42   2HB   TYR   5          1HB       TYR   5   7.631  -0.726  -0.726
   43    HD1  TYR   5          2HD       TYR   5   5.089  -0.874  -0.874
   44    HD2  TYR   5          1HD       TYR   5   8.059  -3.980  -3.980
   45    HE1  TYR   5          2HE       TYR   5   3.320  -2.572  -2.572
   46    HE2  TYR   5          1HE       TYR   5   6.309  -5.624  -5.624
   47    HH   TYR   5           HH       TYR   5   4.090  -5.982  -5.982
   48    H    VAL   6           H        VAL   6   6.976   2.009   2.009
   49    HA   VAL   6           HA       VAL   6   9.868   2.875   2.875
   50    HB   VAL   6           HB       VAL   6   7.540   4.666   4.666
   51   1HG1  VAL   6          2HG1      VAL   6  10.116   5.272   5.272
   52   2HG1  VAL   6          1HG1      VAL   6  10.271   4.965   4.965
   53   3HG1  VAL   6          3HG1      VAL   6   9.154   6.201   6.201
   54   1HG2  VAL   6          1HG2      VAL   6   7.694   2.626   2.626
   55   2HG2  VAL   6          3HG2      VAL   6   7.868   4.173   4.173
   56   3HG2  VAL   6          2HG2      VAL   6   9.294   3.190   3.190
   57    H    SER   7           H        SER   7  10.493   3.736   3.736
   58    HA   SER   7           HA       SER   7   8.505   4.041   4.041
   59   1HB   SER   7          2HB       SER   7  10.545   4.642   4.642
   60   2HB   SER   7          1HB       SER   7  10.773   3.150   3.150
   61    HG   SER   7           HG       SER   7  11.965   4.252   4.252
   62    H    HIS   8           H        HIS   8   9.856   6.410   6.410
   63    HA   HIS   8           HA       HIS   8   8.757   8.459   8.459
   64   1HB   HIS   8          2HB       HIS   8   8.921   9.696   9.696
   65   2HB   HIS   8          1HB       HIS   8   7.484   8.897   8.897
   66    HD1  HIS   8          1HD       HIS   8   6.535   7.333   7.333
   67    HD2  HIS   8          2HD       HIS   8  10.661   7.563   7.563
   68    HE1  HIS   8          1HE       HIS   8   7.120   5.758   5.758
   69    H    ASP   9           H        ASP   9  11.583   7.207   7.207
   70    HA   ASP   9           HA       ASP   9  13.099   9.756   9.756
   71   1HB   ASP   9          2HB       ASP   9  14.856   8.479   8.479
   72   2HB   ASP   9          1HB       ASP   9  13.334   8.358   8.358
   73    H    GLY  10           H        GLY  10  12.081   7.272   7.272
   74   1HA   GLY  10          2HA       GLY  10  12.867   7.254   7.254
   75   2HA   GLY  10          1HA       GLY  10  14.503   7.478   7.478
   76    H    THR  11           H        THR  11  14.120   5.486   5.486
   77    HA   THR  11           HA       THR  11  15.153   3.193   3.193
   78    HB   THR  11           HB       THR  11  14.164   4.086   4.086
   79    HG1  THR  11          1HG       THR  11  15.602   2.391   2.391
   80   1HG2  THR  11          3HG2      THR  11  12.294   2.414   2.414
   81   2HG2  THR  11          2HG2      THR  11  13.534   1.166   1.166
   82   3HG2  THR  11          1HG2      THR  11  13.155   2.160   2.160
   83    H    ARG  12           H        ARG  12  14.280   1.529   1.529
   84    HA   ARG  12           HA       ARG  12  11.299   1.401   1.401
   85   1HB   ARG  12          2HB       ARG  12  13.512   1.677   1.677
   86   2HB   ARG  12          1HB       ARG  12  12.241   0.543   0.543
   87   1HG   ARG  12          2HG       ARG  12  10.543   2.292   2.292
   88   2HG   ARG  12          1HG       ARG  12  11.823   3.430   3.430
   89   1HD   ARG  12          2HD       ARG  12  12.448   2.197   2.197
   90   2HD   ARG  12          1HD       ARG  12  10.814   2.889   2.889
   91    HE   ARG  12           HE       ARG  12  12.330   4.815   4.815
   92   1HH1  ARG  12          1HH1      ARG  12  11.824   3.521   3.521
   93   2HH1  ARG  12          2HH1      ARG  12  12.881   4.635   4.635
   94   1HH2  ARG  12          1HH2      ARG  12  13.990   6.103   6.103
   95   2HH2  ARG  12          2HH2      ARG  12  14.107   6.098   6.098
   96    H    ARG  13           H        ARG  13  10.435  -0.754  -0.754
   97    HA   ARG  13           HA       ARG  13  12.380  -3.010  -3.010
   98   1HB   ARG  13          2HB       ARG  13  10.162  -3.960  -3.960
   99   2HB   ARG  13          1HB       ARG  13  11.583  -3.296  -3.296
  100   1HG   ARG  13          2HG       ARG  13   9.952  -1.072  -1.072
  101   2HG   ARG  13          1HG       ARG  13   8.865  -2.317  -2.317
  102   1HD   ARG  13          2HD       ARG  13  10.546  -2.613  -2.613
  103   2HD   ARG  13          1HD       ARG  13  11.255  -1.078  -1.078
  104    HE   ARG  13           HE       ARG  13   8.864  -1.248  -1.248
  105   1HH1  ARG  13          1HH2      ARG  13  10.427   0.490   0.490
  106   2HH1  ARG  13          2HH2      ARG  13   9.133   1.618   1.618
  107   1HH2  ARG  13          1HH1      ARG  13   6.992   0.022   0.022
  108   2HH2  ARG  13          2HH1      ARG  13   7.188   1.353   1.353
  109    H    GLU  14           H        GLU  14  12.114  -4.340  -4.340
  110    HA   GLU  14           HA       GLU  14   9.587  -4.218  -4.218
  111   1HB   GLU  14          2HB       GLU  14  11.943  -5.916  -5.916
  112   2HB   GLU  14          1HB       GLU  14  10.903  -4.946  -4.946
  113   1HG   GLU  14          2HG       GLU  14  13.162  -4.007  -4.007
  114   2HG   GLU  14          1HG       GLU  14  12.983  -3.794  -3.794
  115    H    LEU  15           H        LEU  15   8.031  -5.779  -5.779
  116    HA   LEU  15           HA       LEU  15   8.873  -8.306  -8.306
  117   1HB   LEU  15          2HB       LEU  15   6.486  -6.542  -6.542
  118   2HB   LEU  15          1HB       LEU  15   6.161  -8.269  -8.269
  119    HG   LEU  15           HG       LEU  15   7.870  -6.588  -6.588
  120   1HD1  LEU  15          3HD1      LEU  15   5.156  -7.287  -7.287
  121   2HD1  LEU  15          2HD1      LEU  15   5.929  -8.420  -8.420
  122   3HD1  LEU  15          1HD1      LEU  15   6.099  -6.686  -6.686
  123   1HD2  LEU  15          1HD2      LEU  15   8.542  -9.109  -9.109
  124   2HD2  LEU  15          3HD2      LEU  15   8.763  -8.415  -8.415
  125   3HD2  LEU  15          2HD2      LEU  15   7.342  -9.419  -9.419
  126    H    ASP  16           H        ASP  16   8.205 -10.291 -10.291
  127    HA   ASP  16           HA       ASP  16   7.186 -10.289 -10.289
  128   1HB   ASP  16          2HB       ASP  16   8.551 -12.441 -12.441
  129   2HB   ASP  16          1HB       ASP  16   8.195 -12.542 -12.542
  130    H    VAL  17           H        VAL  17   4.981  -9.921  -9.921
  131    HA   VAL  17           HA       VAL  17   3.832 -12.000 -12.000
  132    HB   VAL  17           HB       VAL  17   3.060  -9.269  -9.269
  133   1HG1  VAL  17          1HG1      VAL  17   1.298 -11.198 -11.198
  134   2HG1  VAL  17          3HG1      VAL  17   0.923  -9.502  -9.502
  135   3HG1  VAL  17          2HG1      VAL  17   1.023 -10.646 -10.646
  136   1HG2  VAL  17          1HG2      VAL  17   4.294 -10.331 -10.331
  137   2HG2  VAL  17          3HG2      VAL  17   3.860  -8.654  -8.654
  138   3HG2  VAL  17          2HG2      VAL  17   2.708  -9.722  -9.722
  139    H    ALA  18           H        ALA  18   1.512 -12.675 -12.675
  140    HA   ALA  18           HA       ALA  18   1.457 -13.289 -13.289
  141   1HB   ALA  18          2HB       ALA  18   1.976 -15.187 -15.187
  142   2HB   ALA  18          1HB       ALA  18   0.425 -14.925 -14.925
  143   3HB   ALA  18          3HB       ALA  18   0.469 -15.429 -15.429
  144    H    ASP  19           H        ASP  19  -1.186 -14.624 -14.624
  145    HA   ASP  19           HA       ASP  19  -2.869 -12.192 -12.192
  146   1HB   ASP  19          2HB       ASP  19  -4.184 -13.494 -13.494
  147   2HB   ASP  19          1HB       ASP  19  -2.575 -14.162 -14.162
  148    H    GLY  20           H        GLY  20  -4.368 -11.796 -11.796
  149   1HA   GLY  20          2HA       GLY  20  -6.053 -12.454 -12.454
  150   2HA   GLY  20          1HA       GLY  20  -5.183 -13.973 -13.973
  151    H    VAL  21           H        VAL  21  -2.814 -11.742 -11.742
  152    HA   VAL  21           HA       VAL  21  -2.644 -11.552 -11.552
  153    HB   VAL  21           HB       VAL  21  -0.770 -11.524 -11.524
  154   1HG1  VAL  21          1HG1      VAL  21  -0.278 -10.307 -10.307
  155   2HG1  VAL  21          3HG1      VAL  21   1.043 -10.888 -10.888
  156   3HG1  VAL  21          2HG1      VAL  21  -0.001  -9.587  -9.587
  157   1HG2  VAL  21          2HG2      VAL  21  -1.415 -13.265 -13.265
  158   2HG2  VAL  21          1HG2      VAL  21  -0.326 -13.573 -13.573
  159   3HG2  VAL  21          3HG2      VAL  21   0.286 -12.796 -12.796
  160    H    SER  22           H        SER  22  -1.546  -9.525  -9.525
  161    HA   SER  22           HA       SER  22  -2.586  -7.074  -7.074
  162   1HB   SER  22          2HB       SER  22  -2.098  -6.688  -6.688
  163   2HB   SER  22          1HB       SER  22  -3.636  -6.656  -6.656
  164    HG   SER  22           HG       SER  22  -3.783  -8.886  -8.886
  165    H    LEU  23           H        LEU  23  -1.191  -5.084  -5.084
  166    HA   LEU  23           HA       LEU  23   1.583  -5.647  -5.647
  167   1HB   LEU  23          2HB       LEU  23   0.273  -3.169  -3.169
  168   2HB   LEU  23          1HB       LEU  23   1.857  -3.242  -3.242
  169    HG   LEU  23           HG       LEU  23  -0.808  -3.599  -3.599
  170   1HD1  LEU  23          2HD1      LEU  23   0.506  -1.340  -1.340
  171   2HD1  LEU  23          1HD1      LEU  23   1.498  -1.939  -1.939
  172   3HD1  LEU  23          3HD1      LEU  23  -0.233  -1.685  -1.685
  173   1HD2  LEU  23          3HD2      LEU  23   1.864  -4.692  -4.692
  174   2HD2  LEU  23          2HD2      LEU  23   0.259  -5.270  -5.270
  175   3HD2  LEU  23          1HD2      LEU  23   0.975  -3.904  -3.904
  176    H    MET  24           H        MET  24  -0.248  -5.779  -5.779
  177    HA   MET  24           HA       MET  24   2.053  -5.286  -5.286
  178   1HB   MET  24          2HB       MET  24  -0.129  -4.420  -4.420
  179   2HB   MET  24          1HB       MET  24  -0.824  -6.040  -6.040
  180   1HG   MET  24          2HG       MET  24   1.526  -5.680  -5.680
  181   2HG   MET  24          1HG       MET  24   0.014  -4.942  -4.942
  182   1HE   MET  24          2HE       MET  24   0.179  -6.007  -6.007
  183   2HE   MET  24          1HE       MET  24  -1.411  -6.777  -6.777
  184   3HE   MET  24          3HE       MET  24   0.022  -7.722  -7.722
  185    H    GLN  25           H        GLN  25  -0.310  -7.909  -7.909
  186    HA   GLN  25           HA       GLN  25   0.973  -9.755  -9.755
  187   1HB   GLN  25          2HB       GLN  25  -0.901 -10.833 -10.833
  188   2HB   GLN  25          1HB       GLN  25  -1.057  -9.643  -9.643
  189   1HG   GLN  25          2HG       GLN  25   0.618 -12.150 -12.150
  190   2HG   GLN  25          1HG       GLN  25  -0.981 -11.937 -11.937
  191   1HE2  GLN  25          2HE2      GLN  25   0.710  -9.014  -9.014
  192   2HE2  GLN  25          1HE2      GLN  25  -0.293  -8.968  -8.968
  193    H    ALA  26           H        ALA  26   2.133  -8.843  -8.843
  194    HA   ALA  26           HA       ALA  26   3.965 -11.178 -11.178
  195   1HB   ALA  26          2HB       ALA  26   3.266  -8.829  -8.829
  196   2HB   ALA  26          1HB       ALA  26   4.780  -9.715  -9.715
  197   3HB   ALA  26          3HB       ALA  26   3.210 -10.555 -10.555
  198    H    ALA  27           H        ALA  27   4.104  -7.639  -7.639
  199    HA   ALA  27           HA       ALA  27   6.877  -7.303  -7.303
  200   1HB   ALA  27          3HB       ALA  27   4.328  -5.850  -5.850
  201   2HB   ALA  27          2HB       ALA  27   5.469  -5.230  -5.230
  202   3HB   ALA  27          1HB       ALA  27   5.916  -5.293  -5.293
  203    H    VAL  28           H        VAL  28   3.989  -7.553  -7.553
  204    HA   VAL  28           HA       VAL  28   4.895  -7.288  -7.288
  205    HB   VAL  28           HB       VAL  28   2.765  -8.437  -8.437
  206   1HG1  VAL  28          2HG1      VAL  28   3.887 -10.285 -10.285
  207   2HG1  VAL  28          1HG1      VAL  28   2.141 -10.175 -10.175
  208   3HG1  VAL  28          3HG1      VAL  28   3.152 -10.673 -10.673
  209   1HG2  VAL  28          2HG2      VAL  28   3.099  -7.581  -7.581
  210   2HG2  VAL  28          1HG2      VAL  28   2.273  -6.745  -6.745
  211   3HG2  VAL  28          3HG2      VAL  28   1.572  -8.205  -8.205
  212    H    SER  29           H        SER  29   4.786 -10.418 -10.418
  213    HA   SER  29           HA       SER  29   6.433 -11.896 -11.896
  214   1HB   SER  29          2HB       SER  29   6.816 -12.675 -12.675
  215   2HB   SER  29          1HB       SER  29   5.792 -13.448 -13.448
  216    HG   SER  29           HG       SER  29   4.878 -12.440 -12.440
  217    H    ASN  30           H        ASN  30   7.060  -9.800  -9.800
  218    HA   ASN  30           HA       ASN  30   9.920 -10.314 -10.314
  219   1HB   ASN  30          2HB       ASN  30   7.755  -8.768  -8.768
  220   2HB   ASN  30          1HB       ASN  30   9.294  -7.917  -7.917
  221   1HD2  ASN  30          2HD2      ASN  30   8.681 -11.107 -11.107
  222   2HD2  ASN  30          1HD2      ASN  30   7.478 -10.536 -10.536
  223    H    GLY  31           H        GLY  31   8.245  -9.096  -9.096
  224   1HA   GLY  31          2HA       GLY  31   8.760  -7.634  -7.634
  225   2HA   GLY  31          1HA       GLY  31  10.427  -7.683  -7.683
  226    H    ILE  32           H        ILE  32   8.190  -6.689  -6.689
  227    HA   ILE  32           HA       ILE  32   9.341  -4.035  -4.035
  228    HB   ILE  32           HB       ILE  32   7.189  -5.635  -5.635
  229   1HG1  ILE  32          2HG1      ILE  32   9.734  -4.283  -4.283
  230   2HG1  ILE  32          1HG1      ILE  32   9.444  -6.016  -6.016
  231   1HG2  ILE  32          3HG2      ILE  32   7.723  -2.695  -2.695
  232   2HG2  ILE  32          2HG2      ILE  32   6.703  -3.734  -3.734
  233   3HG2  ILE  32          1HG2      ILE  32   6.233  -3.371  -3.371
  234   1HD1  ILE  32          3HD1      ILE  32   7.645  -5.825  -5.825
  235   2HD1  ILE  32          2HD1      ILE  32   8.086  -4.132  -4.132
  236   3HD1  ILE  32          1HD1      ILE  32   9.241  -5.404  -5.404
  237    H    TYR  33           H        TYR  33   6.342  -5.396  -5.396
  238    HA   TYR  33           HA       TYR  33   5.512  -2.638  -2.638
  239   1HB   TYR  33          2HB       TYR  33   4.096  -5.277  -5.277
  240   2HB   TYR  33          1HB       TYR  33   3.347  -3.941  -3.941
  241    HD1  TYR  33          1HD       TYR  33   3.216  -1.648  -1.648
  242    HD2  TYR  33          2HD       TYR  33   4.158  -5.295  -5.295
  243    HE1  TYR  33          1HE       TYR  33   2.667  -0.562  -0.562
  244    HE2  TYR  33          2HE       TYR  33   3.606  -4.257  -4.257
  245    HH   TYR  33           HH       TYR  33   2.940  -0.804  -0.804
  246    H    ASP  34           H        ASP  34   7.611  -3.436  -3.436
  247    HA   ASP  34           HA       ASP  34   6.708  -4.775  -4.775
  248   1HB   ASP  34          2HB       ASP  34   8.981  -4.351  -4.351
  249   2HB   ASP  34          1HB       ASP  34   9.059  -4.755  -4.755
  250    H    ILE  35           H        ILE  35   4.949  -2.717  -2.717
  251    HA   ILE  35           HA       ILE  35   5.678  -0.212  -0.212
  252    HB   ILE  35           HB       ILE  35   3.408   0.381   0.381
  253   1HG1  ILE  35          2HG1      ILE  35   3.054  -2.617  -2.617
  254   2HG1  ILE  35          1HG1      ILE  35   2.170  -1.509  -1.509
  255   1HG2  ILE  35          1HG2      ILE  35   4.740  -1.463  -1.463
  256   2HG2  ILE  35          3HG2      ILE  35   3.382  -0.410  -0.410
  257   3HG2  ILE  35          2HG2      ILE  35   4.918   0.285   0.285
  258   1HD1  ILE  35          1HD1      ILE  35   1.585  -0.354  -0.354
  259   2HD1  ILE  35          3HD1      ILE  35   1.873  -1.987  -1.987
  260   3HD1  ILE  35          2HD1      ILE  35   0.633  -1.701  -1.701
  261    H    VAL  36           H        VAL  36   2.925  -0.038  -0.038
  262    HA   VAL  36           HA       VAL  36   3.662  -1.077  -1.077
  263    HB   VAL  36           HB       VAL  36   1.450   0.620   0.620
  264   1HG1  VAL  36          3HG1      VAL  36   1.414  -0.932  -0.932
  265   2HG1  VAL  36          2HG1      VAL  36   1.343   0.794   0.794
  266   3HG1  VAL  36          1HG1      VAL  36   0.138   0.060   0.060
  267   1HG2  VAL  36          1HG2      VAL  36   4.055   1.076   1.076
  268   2HG2  VAL  36          3HG2      VAL  36   2.927   2.257   2.257
  269   3HG2  VAL  36          2HG2      VAL  36   2.839   1.817   1.817
  270    H    GLY  37           H        GLY  37   0.331  -1.051  -1.051
  271   1HA   GLY  37          2HA       GLY  37  -0.033  -3.793  -3.793
  272   2HA   GLY  37          1HA       GLY  37  -1.293  -2.750  -2.750
  273    H    ASP  38           H        ASP  38  -1.525  -5.199  -5.199
  274    HA   ASP  38           HA       ASP  38  -0.161  -5.218  -5.218
  275   1HB   ASP  38          2HB       ASP  38  -0.505  -7.704  -7.704
  276   2HB   ASP  38          1HB       ASP  38   0.531  -7.052  -7.052
  277    H    CYS  39           H        CYS  39  -1.516  -6.165  -6.165
  278    HA   CYS  39           HA       CYS  39  -4.421  -5.580  -5.580
  279   1HB   CYS  39          2HB       CYS  39  -3.830  -5.672  -5.672
  280   2HB   CYS  39          1HB       CYS  39  -4.250  -4.282  -4.282
  281    H    GLY  40           H        GLY  40  -2.116  -7.983  -7.983
  282   1HA   GLY  40          2HA       GLY  40  -2.448 -10.155 -10.155
  283   2HA   GLY  40          1HA       GLY  40  -3.620 -10.235 -10.235
  284    H    GLY  41           H        GLY  41  -4.027  -7.983  -7.983
  285   1HA   GLY  41          2HA       GLY  41  -5.502  -8.053  -8.053
  286   2HA   GLY  41          1HA       GLY  41  -5.818  -9.751  -9.751
  287    H    SER  42           H        SER  42  -6.118  -7.226  -7.226
  288    HA   SER  42           HA       SER  42  -9.081  -7.673  -7.673
  289   1HB   SER  42          2HB       SER  42  -7.606  -8.544  -8.544
  290   2HB   SER  42          1HB       SER  42  -7.339  -6.855  -6.855
  291    HG   SER  42           HG       SER  42  -9.643  -8.422  -8.422
  292    H    ALA  43           H        ALA  43  -6.472  -5.320  -5.320
  293    HA   ALA  43           HA       ALA  43  -6.476  -3.003  -3.003
  294   1HB   ALA  43          2HB       ALA  43  -8.184  -3.933  -3.933
  295   2HB   ALA  43          1HB       ALA  43  -9.398  -3.248  -3.248
  296   3HB   ALA  43          3HB       ALA  43  -8.189  -2.203  -2.203
  297    H    SER  44           H        SER  44  -6.518  -3.455  -3.455
  298    HA   SER  44           HA       SER  44  -8.577  -1.584  -1.584
  299   1HB   SER  44          2HB       SER  44  -9.315  -3.649  -3.649
  300   2HB   SER  44          1HB       SER  44  -7.691  -4.333  -4.333
  301    HG   SER  44           HG       SER  44  -7.416  -3.577  -3.577
  302    H    CYS  45           H        CYS  45  -5.673  -1.512  -1.512
  303    HA   CYS  45           HA       CYS  45  -4.330  -0.700  -0.700
  304   1HB   CYS  45          2HB       CYS  45  -2.473  -0.983  -0.983
  305   2HB   CYS  45          1HB       CYS  45  -2.651  -2.003  -2.003
  306    H    ALA  46           H        ALA  46  -2.833   1.187   1.187
  307    HA   ALA  46           HA       ALA  46  -3.913   3.217   3.217
  308   1HB   ALA  46          3HB       ALA  46  -2.786   3.300   3.300
  309   2HB   ALA  46          2HB       ALA  46  -2.943   4.768   4.768
  310   3HB   ALA  46          1HB       ALA  46  -4.375   3.822   3.822
  311    H    THR  47           H        THR  47  -1.096   1.358   1.358
  312    HA   THR  47           HA       THR  47   0.633   3.577   3.577
  313    HB   THR  47           HB       THR  47   2.450   1.952   1.952
  314    HG1  THR  47          1HG       THR  47   0.515   0.313   0.313
  315   1HG2  THR  47          3HG2      THR  47   1.761   3.921   3.921
  316   2HG2  THR  47          2HG2      THR  47   0.473   2.973   2.973
  317   3HG2  THR  47          1HG2      THR  47   2.159   2.565   2.565
  318    H    CYS  48           H        CYS  48  -1.185   1.820   1.820
  319    HA   CYS  48           HA       CYS  48   0.949   0.586   0.586
  320   1HB   CYS  48          2HB       CYS  48  -1.657  -0.318  -0.318
  321   2HB   CYS  48          1HB       CYS  48  -0.345  -1.252  -1.252
  322    H    HIS  49           H        HIS  49  -1.088   3.201   3.201
  323    HA   HIS  49           HA       HIS  49  -2.355   3.676   3.676
  324   1HB   HIS  49          2HB       HIS  49  -2.183   5.199   5.199
  325   2HB   HIS  49          1HB       HIS  49  -0.502   5.527   5.527
  326    HD1  HIS  49          1HD       HIS  49  -2.851   7.685   7.685
  327    HD2  HIS  49          2HD       HIS  49  -1.295   5.853   5.853
  328    HE1  HIS  49          1HE       HIS  49  -3.338   9.237   9.237
  329    H    VAL  50           H        VAL  50  -1.557   3.660   3.660
  330    HA   VAL  50           HA       VAL  50   1.350   4.203   4.203
  331    HB   VAL  50           HB       VAL  50   1.361   2.242   2.242
  332   1HG1  VAL  50          2HG1      VAL  50   1.254   2.237   2.237
  333   2HG1  VAL  50          1HG1      VAL  50   0.805   0.672   0.672
  334   3HG1  VAL  50          3HG1      VAL  50   2.362   1.397   1.397
  335   1HG2  VAL  50          3HG2      VAL  50  -1.187   2.278   2.278
  336   2HG2  VAL  50          2HG2      VAL  50  -0.447   0.688   0.688
  337   3HG2  VAL  50          1HG2      VAL  50  -1.215   1.483   1.483
  338    H    TYR  51           H        TYR  51   1.873   4.690   4.690
  339    HA   TYR  51           HA       TYR  51  -0.427   5.891   5.891
  340   1HB   TYR  51          2HB       TYR  51   2.380   6.694   6.694
  341   2HB   TYR  51          1HB       TYR  51   1.631   7.342   7.342
  342    HD1  TYR  51          2HD       TYR  51  -1.027   6.697   6.697
  343    HD2  TYR  51          1HD       TYR  51   2.266   9.442   9.442
  344    HE1  TYR  51          2HE       TYR  51  -2.263   8.417   8.417
  345    HE2  TYR  51          1HE       TYR  51   0.998  11.178  11.178
  346    HH   TYR  51           HH       TYR  51  -1.064  10.871  10.871
  347    H    VAL  52           H        VAL  52  -0.816   4.893   4.893
  348    HA   VAL  52           HA       VAL  52   1.262   3.154   3.154
  349    HB   VAL  52           HB       VAL  52  -1.597   3.689   3.689
  350   1HG1  VAL  52          1HG1      VAL  52   0.296   1.347   1.347
  351   2HG1  VAL  52          3HG1      VAL  52  -1.385   1.394   1.394
  352   3HG1  VAL  52          2HG1      VAL  52  -0.210   2.509   2.509
  353   1HG2  VAL  52          2HG2      VAL  52  -0.567   2.321   2.321
  354   2HG2  VAL  52          1HG2      VAL  52  -2.233   2.723   2.723
  355   3HG2  VAL  52          3HG2      VAL  52  -1.503   1.236   1.236
  356    H    ASN  53           H        ASN  53   1.383   3.430   3.430
  357    HA   ASN  53           HA       ASN  53   2.161   6.192   6.192
  358   1HB   ASN  53          2HB       ASN  53   2.589   5.128   5.128
  359   2HB   ASN  53          1HB       ASN  53   3.400   4.325   4.325
  360   1HD2  ASN  53          2HD2      ASN  53   1.568   1.356   1.356
  361   2HD2  ASN  53          1HD2      ASN  53   2.727   2.209   2.209
  362    H    GLU  54           H        GLU  54   1.164   6.069   6.069
  363    HA   GLU  54           HA       GLU  54  -1.617   6.982   6.982
  364   1HB   GLU  54          2HB       GLU  54  -1.319   8.255   8.255
  365   2HB   GLU  54          1HB       GLU  54   0.089   8.499   8.499
  366   1HG   GLU  54          2HG       GLU  54   0.675   6.204   6.204
  367   2HG   GLU  54          1HG       GLU  54  -0.042   7.343   7.343
  368    H    ALA  55           H        ALA  55   0.109   4.398   4.398
  369    HA   ALA  55           HA       ALA  55  -2.175   3.785   3.785
  370   1HB   ALA  55          2HB       ALA  55   0.640   3.611   3.611
  371   2HB   ALA  55          1HB       ALA  55   0.041   1.952   1.952
  372   3HB   ALA  55          3HB       ALA  55  -0.504   3.119   3.119
  373    H    PHE  56           H        PHE  56  -0.443   2.238   2.238
  374    HA   PHE  56           HA       PHE  56  -2.032  -0.218  -0.218
  375   1HB   PHE  56          2HB       PHE  56  -0.063   0.822   0.822
  376   2HB   PHE  56          1HB       PHE  56  -0.771  -0.778  -0.778
  377    HD1  PHE  56          1HD       PHE  56   1.297   1.482   1.482
  378    HD2  PHE  56          2HD       PHE  56   0.137  -2.636  -2.636
  379    HE1  PHE  56          1HE       PHE  56   2.966   0.729   0.729
  380    HE2  PHE  56          2HE       PHE  56   1.794  -3.318  -3.318
  381    HZ   PHE  56           HZ       PHE  56   3.220  -1.679  -1.679
  382    H    THR  57           H        THR  57  -2.532   2.804   2.804
  383    HA   THR  57           HA       THR  57  -4.168   1.710   1.710
  384    HB   THR  57           HB       THR  57  -4.137   3.869   3.869
  385    HG1  THR  57          1HG       THR  57  -5.403   5.071   5.071
  386   1HG2  THR  57          2HG2      THR  57  -1.824   3.341   3.341
  387   2HG2  THR  57          1HG2      THR  57  -2.323   4.725   4.725
  388   3HG2  THR  57          3HG2      THR  57  -2.125   4.894   4.894
  389    H    ASP  58           H        ASP  58  -4.673   2.859   2.859
  390    HA   ASP  58           HA       ASP  58  -7.621   2.940   2.940
  391   1HB   ASP  58          2HB       ASP  58  -6.838   3.134   3.134
  392   2HB   ASP  58          1HB       ASP  58  -7.458   4.408   4.408
  393    H    LYS  59           H        LYS  59  -5.127   0.807   0.807
  394    HA   LYS  59           HA       LYS  59  -6.927  -0.945  -0.945
  395   1HB   LYS  59          2HB       LYS  59  -4.099  -1.180  -1.180
  396   2HB   LYS  59          1HB       LYS  59  -4.846  -2.377  -2.377
  397   1HG   LYS  59          2HG       LYS  59  -4.434   0.554   0.554
  398   2HG   LYS  59          1HG       LYS  59  -3.474  -0.785  -0.785
  399   1HD   LYS  59          2HD       LYS  59  -5.974  -1.660  -1.660
  400   2HD   LYS  59          1HD       LYS  59  -6.211   0.084   0.084
  401   1HE   LYS  59          2HE       LYS  59  -3.735  -0.981  -0.981
  402   2HE   LYS  59          1HE       LYS  59  -5.269  -1.384  -1.384
  403   1HZ   LYS  59          2HZ       LYS  59  -4.619   1.351   1.351
  404   2HZ   LYS  59          1HZ       LYS  59  -4.272   0.825   0.825
  405   3HZ   LYS  59          3HZ       LYS  59  -5.879   0.879   0.879
  406    H    VAL  60           H        VAL  60  -5.122  -1.181  -1.181
  407    HA   VAL  60           HA       VAL  60  -5.940  -3.581  -3.581
  408    HB   VAL  60           HB       VAL  60  -5.882  -2.266  -2.266
  409   1HG1  VAL  60          3HG1      VAL  60  -3.716  -2.122  -2.122
  410   2HG1  VAL  60          2HG1      VAL  60  -3.464  -1.489  -1.489
  411   3HG1  VAL  60          1HG1      VAL  60  -3.834  -3.198  -3.198
  412   1HG2  VAL  60          3HG2      VAL  60  -5.565  -0.009  -0.009
  413   2HG2  VAL  60          2HG2      VAL  60  -6.749  -0.146  -0.146
  414   3HG2  VAL  60          1HG2      VAL  60  -5.049   0.111   0.111
  415    HA   PRO  61           HA       PRO  61 -10.288  -3.549  -3.549
  416   1HB   PRO  61          2HB       PRO  61 -10.539  -4.505  -4.505
  417   2HB   PRO  61          1HB       PRO  61 -10.115  -5.522  -5.522
  418   1HG   PRO  61          2HG       PRO  61  -8.339  -4.316  -4.316
  419   2HG   PRO  61          1HG       PRO  61  -8.290  -5.936  -5.936
  420   1HD   PRO  61          2HD       PRO  61  -6.604  -3.980  -3.980
  421   2HD   PRO  61          1HD       PRO  61  -7.214  -5.209  -5.209
  422    H    ALA  62           H        ALA  62 -12.003  -2.666  -2.666
  423    HA   ALA  62           HA       ALA  62 -11.434   0.054   0.054
  424   1HB   ALA  62          3HB       ALA  62 -13.466  -1.431  -1.431
  425   2HB   ALA  62          2HB       ALA  62 -14.113  -1.033  -1.033
  426   3HB   ALA  62          1HB       ALA  62 -13.587   0.255   0.255
  427    H    ALA  63           H        ALA  63 -10.696   0.369   0.369
  428    HA   ALA  63           HA       ALA  63 -11.010  -1.520  -1.520
  429   1HB   ALA  63          3HB       ALA  63  -9.510   0.705   0.705
  430   2HB   ALA  63          2HB       ALA  63 -10.529   1.295   1.295
  431   3HB   ALA  63          1HB       ALA  63  -9.494  -0.112  -0.112
  432    H    ASN  64           H        ASN  64 -12.158  -1.016  -1.016
  433    HA   ASN  64           HA       ASN  64 -14.857   0.131   0.131
  434   1HB   ASN  64          2HB       ASN  64 -15.524  -1.236  -1.236
  435   2HB   ASN  64          1HB       ASN  64 -14.439  -2.211  -2.211
  436   1HD2  ASN  64          2HD2      ASN  64 -13.233  -2.572  -2.572
  437   2HD2  ASN  64          1HD2      ASN  64 -14.616  -3.022  -3.022
  438    H    GLU  65           H        GLU  65 -15.287   0.358   0.358
  439    HA   GLU  65           HA       GLU  65 -14.606   3.158   3.158
  440   1HB   GLU  65          2HB       GLU  65 -15.895   2.918   2.918
  441   2HB   GLU  65          1HB       GLU  65 -16.627   1.816   1.816
  442   1HG   GLU  65          2HG       GLU  65 -14.829   0.132   0.132
  443   2HG   GLU  65          1HG       GLU  65 -15.035   1.202   1.202
  444    H    ARG  66           H        ARG  66 -13.152   0.119   0.119
  445    HA   ARG  66           HA       ARG  66 -11.490   1.173   1.173
  446   1HB   ARG  66          2HB       ARG  66 -11.940  -1.278  -1.278
  447   2HB   ARG  66          1HB       ARG  66 -10.215  -0.931  -0.931
  448   1HG   ARG  66          2HG       ARG  66 -11.465  -2.254  -2.254
  449   2HG   ARG  66          1HG       ARG  66  -9.906  -1.457  -1.457
  450   1HD   ARG  66          2HD       ARG  66 -11.537  -0.865  -0.865
  451   2HD   ARG  66          1HD       ARG  66 -10.923   0.534   0.534
  452    HE   ARG  66           HE       ARG  66 -13.183  -0.240  -0.240
  453   1HH1  ARG  66          1HH2      ARG  66 -14.827  -1.156  -1.156
  454   2HH1  ARG  66          2HH2      ARG  66 -15.368   0.227   0.227
  455   1HH2  ARG  66          1HH1      ARG  66 -12.860   2.305   2.305
  456   2HH2  ARG  66          2HH1      ARG  66 -14.254   2.186   2.186
  457    H    GLU  67           H        GLU  67 -10.888   0.658   0.658
  458    HA   GLU  67           HA       GLU  67  -8.231   1.628   1.628
  459   1HB   GLU  67          2HB       GLU  67  -9.309   0.465   0.465
  460   2HB   GLU  67          1HB       GLU  67 -10.517   1.741   1.741
  461   1HG   GLU  67          2HG       GLU  67  -7.676   2.576   2.576
  462   2HG   GLU  67          1HG       GLU  67  -8.311   1.652   1.652
  463    H    ILE  68           H        ILE  68 -11.214   3.271   3.271
  464    HA   ILE  68           HA       ILE  68 -10.104   5.909   5.909
  465    HB   ILE  68           HB       ILE  68 -12.754   4.737   4.737
  466   1HG1  ILE  68          2HG1      ILE  68 -13.482   5.653   5.653
  467   2HG1  ILE  68          1HG1      ILE  68 -12.102   6.747   6.747
  468   1HG2  ILE  68          2HG2      ILE  68 -12.406   6.787   6.787
  469   2HG2  ILE  68          1HG2      ILE  68 -12.218   7.719   7.719
  470   3HG2  ILE  68          3HG2      ILE  68 -13.751   6.920   6.920
  471   1HD1  ILE  68          3HD1      ILE  68 -10.597   4.760   4.760
  472   2HD1  ILE  68          2HD1      ILE  68 -12.023   3.727   3.727
  473   3HD1  ILE  68          1HD1      ILE  68 -11.727   4.893   4.893
  474    H    GLY  69           H        GLY  69 -11.833   4.776   4.776
  475   1HA   GLY  69          2HA       GLY  69 -10.449   6.749   6.749
  476   2HA   GLY  69          1HA       GLY  69 -11.583   5.537   5.537
  477    H    MET  70           H        MET  70 -10.403   3.166   3.166
  478    HA   MET  70           HA       MET  70  -8.502   2.567   2.567
  479   1HB   MET  70          2HB       MET  70  -9.736   1.313   1.313
  480   2HB   MET  70          1HB       MET  70  -8.062   1.307   1.307
  481   1HG   MET  70          2HG       MET  70  -9.366  -0.069  -0.069
  482   2HG   MET  70          1HG       MET  70  -8.201  -0.689  -0.689
  483   1HE   MET  70          2HE       MET  70  -6.375   1.123   1.123
  484   2HE   MET  70          1HE       MET  70  -5.171   1.500   1.500
  485   3HE   MET  70          3HE       MET  70  -5.391  -0.184  -0.184
  486    H    LEU  71           H        LEU  71  -8.109   3.650   3.650
  487    HA   LEU  71           HA       LEU  71  -5.208   3.733   3.733
  488   1HB   LEU  71          2HB       LEU  71  -6.907   3.236   3.236
  489   2HB   LEU  71          1HB       LEU  71  -7.477   4.895   4.895
  490    HG   LEU  71           HG       LEU  71  -5.109   3.792   3.792
  491   1HD1  LEU  71          3HD1      LEU  71  -7.203   5.882   5.882
  492   2HD1  LEU  71          2HD1      LEU  71  -5.660   6.169   6.169
  493   3HD1  LEU  71          1HD1      LEU  71  -6.586   4.713   4.713
  494   1HD2  LEU  71          2HD2      LEU  71  -4.991   6.489   6.489
  495   2HD2  LEU  71          1HD2      LEU  71  -3.956   5.103   5.103
  496   3HD2  LEU  71          3HD2      LEU  71  -3.854   5.903   5.903
  497    H    GLU  72           H        GLU  72  -7.826   6.007   6.007
  498    HA   GLU  72           HA       GLU  72  -6.019   8.338   8.338
  499   1HB   GLU  72          2HB       GLU  72  -8.228   8.745   8.745
  500   2HB   GLU  72          1HB       GLU  72  -8.942   7.812   7.812
  501   1HG   GLU  72          2HG       GLU  72  -8.751   9.527   9.527
  502   2HG   GLU  72          1HG       GLU  72  -7.271  10.157  10.157
  503    H    CYS  73           H        CYS  73  -6.171   5.831   5.831
  504    HA   CYS  73           HA       CYS  73  -6.757   6.747   6.747
  505   1HB   CYS  73          2HB       CYS  73  -4.604   4.967   4.967
  506   2HB   CYS  73          1HB       CYS  73  -4.731   5.218   5.218
  507    HG   CYS  73           HG       CYS  73  -6.361   3.251   3.251
  508    H    VAL  74           H        VAL  74  -3.647   7.025   7.025
  509    HA   VAL  74           HA       VAL  74  -2.708   9.070   9.070
  510    HB   VAL  74           HB       VAL  74  -0.604   8.819   8.819
  511   1HG1  VAL  74          2HG1      VAL  74  -2.135   6.385   6.385
  512   2HG1  VAL  74          1HG1      VAL  74  -0.566   6.161   6.161
  513   3HG1  VAL  74          3HG1      VAL  74  -0.689   7.097   7.097
  514   1HG2  VAL  74          1HG2      VAL  74  -2.349   7.307   7.307
  515   2HG2  VAL  74          3HG2      VAL  74  -1.291   8.680   8.680
  516   3HG2  VAL  74          2HG2      VAL  74  -0.600   7.097   7.097
  517    H    THR  75           H        THR  75  -3.351  11.158  11.158
  518    HA   THR  75           HA       THR  75  -4.609  12.164  12.164
  519    HB   THR  75           HB       THR  75  -3.160  13.144  13.144
  520    HG1  THR  75          1HG       THR  75  -5.115  13.775  13.775
  521   1HG2  THR  75          3HG2      THR  75  -3.079  14.763  14.763
  522   2HG2  THR  75          2HG2      THR  75  -3.105  15.544  15.544
  523   3HG2  THR  75          1HG2      THR  75  -1.776  14.464  14.464
  524    H    ALA  76           H        ALA  76  -3.702  11.508  11.508
  525    HA   ALA  76           HA       ALA  76  -0.972  12.595  12.595
  526   1HB   ALA  76          1HB       ALA  76  -2.039   9.908   9.908
  527   2HB   ALA  76          3HB       ALA  76  -1.542  10.373  10.373
  528   3HB   ALA  76          2HB       ALA  76  -0.383  10.438  10.438
  529    H    GLU  77           H        GLU  77  -3.509  13.942  13.942
  530    HA   GLU  77           HA       GLU  77  -4.869  14.816  14.816
  531   1HB   GLU  77          2HB       GLU  77  -3.397  15.824  15.824
  532   2HB   GLU  77          1HB       GLU  77  -2.726  16.034  16.034
  533   1HG   GLU  77          2HG       GLU  77  -1.148  14.258  14.258
  534   2HG   GLU  77          1HG       GLU  77  -1.944  13.743  13.743
  535    H    LEU  78           H        LEU  78  -5.511  12.344  12.344
  536    HA   LEU  78           HA       LEU  78  -5.037  10.368  10.368
  537   1HB   LEU  78          2HB       LEU  78  -7.198  11.370  11.370
  538   2HB   LEU  78          1HB       LEU  78  -7.758  11.429  11.429
  539    HG   LEU  78           HG       LEU  78  -6.670   8.989   8.989
  540   1HD1  LEU  78          3HD1      LEU  78  -6.945   9.687   9.687
  541   2HD1  LEU  78          2HD1      LEU  78  -7.628   8.125   8.125
  542   3HD1  LEU  78          1HD1      LEU  78  -5.928   8.470   8.470
  543   1HD2  LEU  78          3HD2      LEU  78  -9.377   9.893   9.893
  544   2HD2  LEU  78          2HD2      LEU  78  -8.928   9.213   9.213
  545   3HD2  LEU  78          1HD2      LEU  78  -9.007   8.174   8.174
  546    H    LYS  79           H        LYS  79  -4.322  10.292  10.292
  547    HA   LYS  79           HA       LYS  79  -4.864  12.480  12.480
  548   1HB   LYS  79          2HB       LYS  79  -3.519   9.833   9.833
  549   2HB   LYS  79          1HB       LYS  79  -3.182  11.406  11.406
  550   1HG   LYS  79          2HG       LYS  79  -2.595  12.142  12.142
  551   2HG   LYS  79          1HG       LYS  79  -2.435  10.421  10.421
  552   1HD   LYS  79          2HD       LYS  79  -0.437  10.391  10.391
  553   2HD   LYS  79          1HD       LYS  79  -1.173  10.993  10.993
  554   1HE   LYS  79          2HE       LYS  79   0.670  12.445  12.445
  555   2HE   LYS  79          1HE       LYS  79  -0.845  13.241  13.241
  556   1HZ   LYS  79          3HZ       LYS  79  -0.885  12.068  12.068
  557   2HZ   LYS  79          2HZ       LYS  79   0.202  13.359  13.359
  558   3HZ   LYS  79          1HZ       LYS  79  -1.443  13.580  13.580
  559    HA   PRO  80           HA       PRO  80  -7.916  10.160  10.160
  560   1HB   PRO  80          2HB       PRO  80  -7.040   9.955   9.955
  561   2HB   PRO  80          1HB       PRO  80  -7.591  11.485  11.485
  562   1HG   PRO  80          2HG       PRO  80  -4.873  10.578  10.578
  563   2HG   PRO  80          1HG       PRO  80  -5.511  12.220  12.220
  564   1HD   PRO  80          2HD       PRO  80  -3.969  10.801  10.801
  565   2HD   PRO  80          1HD       PRO  80  -4.766  12.371  12.371
  566    H    ASN  81           H        ASN  81  -4.656   8.921   8.921
  567    HA   ASN  81           HA       ASN  81  -5.729   6.188   6.188
  568   1HB   ASN  81          2HB       ASN  81  -3.391   5.754   5.754
  569   2HB   ASN  81          1HB       ASN  81  -4.111   7.094   7.094
  570   1HD2  ASN  81          2HD2      ASN  81  -0.758   8.228   8.228
  571   2HD2  ASN  81          1HD2      ASN  81  -1.349   7.039   7.039
  572    H    SER  82           H        SER  82  -4.517   8.076   8.076
  573    HA   SER  82           HA       SER  82  -2.808   6.408   6.408
  574   1HB   SER  82          2HB       SER  82  -5.276   7.799   7.799
  575   2HB   SER  82          1HB       SER  82  -3.768   7.499   7.499
  576    HG   SER  82           HG       SER  82  -2.905   8.742   8.742
  577    H    ARG  83           H        ARG  83  -3.026   4.318   4.318
  578    HA   ARG  83           HA       ARG  83  -5.754   3.347   3.347
  579   1HB   ARG  83          2HB       ARG  83  -4.273   2.677   2.677
  580   2HB   ARG  83          1HB       ARG  83  -4.320   1.245   1.245
  581   1HG   ARG  83          2HG       ARG  83  -6.610   1.063   1.063
  582   2HG   ARG  83          1HG       ARG  83  -6.845   2.796   2.796
  583   1HD   ARG  83          2HD       ARG  83  -7.178   2.381   2.381
  584   2HD   ARG  83          1HD       ARG  83  -5.469   1.947   1.947
  585    HE   ARG  83           HE       ARG  83  -6.137  -0.391  -0.391
  586   1HH1  ARG  83          1HH2      ARG  83  -8.010   1.602   1.602
  587   2HH1  ARG  83          2HH2      ARG  83  -9.351   0.511   0.511
  588   1HH2  ARG  83          1HH1      ARG  83  -8.087  -1.706  -1.706
  589   2HH2  ARG  83          2HH1      ARG  83  -9.393  -1.362  -1.362
  590    H    LEU  84           H        LEU  84  -5.693   1.318   1.318
  591    HA   LEU  84           HA       LEU  84  -3.766   1.414   1.414
  592   1HB   LEU  84          2HB       LEU  84  -6.331   0.340   0.340
  593   2HB   LEU  84          1HB       LEU  84  -5.295  -1.016  -1.016
  594    HG   LEU  84           HG       LEU  84  -6.029   1.372   1.372
  595   1HD1  LEU  84          3HD1      LEU  84  -6.519  -1.547  -1.547
  596   2HD1  LEU  84          2HD1      LEU  84  -6.118  -0.984  -0.984
  597   3HD1  LEU  84          1HD1      LEU  84  -7.495  -0.288  -0.288
  598   1HD2  LEU  84          3HD2      LEU  84  -3.494  -0.152  -0.152
  599   2HD2  LEU  84          2HD2      LEU  84  -3.827   1.409   1.409
  600   3HD2  LEU  84          1HD2      LEU  84  -4.214  -0.085  -0.085
  601    H    SER  85           H        SER  85  -1.941   0.157   0.157
  602    HA   SER  85           HA       SER  85  -0.736  -1.385  -1.385
  603   1HB   SER  85          2HB       SER  85   0.842  -1.846  -1.846
  604   2HB   SER  85          1HB       SER  85   0.043  -0.507  -0.507
  605    HG   SER  85           HG       SER  85   0.370  -2.762  -2.762
  606    H    CYS  86           H        CYS  86  -3.282  -1.962  -1.962
  607    HA   CYS  86           HA       CYS  86  -3.372  -4.880  -4.880
  608   1HB   CYS  86          2HB       CYS  86  -5.048  -4.683  -4.683
  609   2HB   CYS  86          1HB       CYS  86  -3.312  -4.653  -4.653
  610    H    GLN  87           H        GLN  87  -4.428  -2.689  -2.689
  611    HA   GLN  87           HA       GLN  87  -7.265  -3.598  -3.598
  612   1HB   GLN  87          2HB       GLN  87  -6.035  -0.906  -0.906
  613   2HB   GLN  87          1HB       GLN  87  -7.392  -1.198  -1.198
  614   1HG   GLN  87          2HG       GLN  87  -7.351  -1.268  -1.268
  615   2HG   GLN  87          1HG       GLN  87  -8.398  -0.335  -0.335
  616   1HE2  GLN  87          2HE2      GLN  87  -9.337  -4.208  -4.208
  617   2HE2  GLN  87          1HE2      GLN  87  -7.815  -3.574  -3.574
  618    H    ILE  88           H        ILE  88  -4.576  -2.450  -2.450
  619    HA   ILE  88           HA       ILE  88  -5.991  -3.145  -3.145
  620    HB   ILE  88           HB       ILE  88  -3.053  -2.859  -2.859
  621   1HG1  ILE  88          2HG1      ILE  88  -4.848  -0.670  -0.670
  622   2HG1  ILE  88          1HG1      ILE  88  -3.341  -1.272  -1.272
  623   1HG2  ILE  88          3HG2      ILE  88  -5.107  -2.699  -2.699
  624   2HG2  ILE  88          2HG2      ILE  88  -4.847  -0.993  -0.993
  625   3HG2  ILE  88          1HG2      ILE  88  -3.519  -1.975  -1.975
  626   1HD1  ILE  88          3HD1      ILE  88  -2.137  -0.428  -0.428
  627   2HD1  ILE  88          2HD1      ILE  88  -3.650   0.305   0.305
  628   3HD1  ILE  88          1HD1      ILE  88  -2.880   0.856   0.856
  629    H    ILE  89           H        ILE  89  -5.590  -4.878  -4.878
  630    HA   ILE  89           HA       ILE  89  -4.105  -7.169  -7.169
  631    HB   ILE  89           HB       ILE  89  -6.513  -6.885  -6.885
  632   1HG1  ILE  89          2HG1      ILE  89  -7.083  -6.799  -6.799
  633   2HG1  ILE  89          1HG1      ILE  89  -7.453  -8.442  -8.442
  634   1HG2  ILE  89          3HG2      ILE  89  -4.978  -8.641  -8.641
  635   2HG2  ILE  89          2HG2      ILE  89  -5.054  -9.449  -9.449
  636   3HG2  ILE  89          1HG2      ILE  89  -6.509  -9.297  -9.297
  637   1HD1  ILE  89          3HD1      ILE  89  -5.101  -9.069  -9.069
  638   2HD1  ILE  89          2HD1      ILE  89  -5.058  -7.492  -7.492
  639   3HD1  ILE  89          1HD1      ILE  89  -6.271  -8.684  -8.684
  640    H    MET  90           H        MET  90  -2.902  -8.518  -8.518
  641    HA   MET  90           HA       MET  90  -1.938  -6.889  -6.889
  642   1HB   MET  90          2HB       MET  90  -0.558  -7.855  -7.855
  643   2HB   MET  90          1HB       MET  90  -0.462  -9.260  -9.260
  644   1HG   MET  90          2HG       MET  90   1.449  -7.763  -7.763
  645   2HG   MET  90          1HG       MET  90   0.417  -7.824  -7.824
  646   1HE   MET  90          3HE       MET  90   0.829  -5.981  -5.981
  647   2HE   MET  90          2HE       MET  90  -0.907  -5.770  -5.770
  648   3HE   MET  90          1HE       MET  90   0.161  -4.374  -4.374
  649    H    THR  91           H        THR  91  -2.848  -7.583  -7.583
  650    HA   THR  91           HA       THR  91  -3.639 -10.437 -10.437
  651    HB   THR  91           HB       THR  91  -4.394  -9.168  -9.168
  652    HG1  THR  91          1HG       THR  91  -4.637  -7.201  -7.201
  653   1HG2  THR  91          2HG2      THR  91  -5.778  -9.045  -9.045
  654   2HG2  THR  91          1HG2      THR  91  -6.568  -8.810  -8.810
  655   3HG2  THR  91          3HG2      THR  91  -5.873 -10.379 -10.379
  656    HA   PRO  92           HA       PRO  92  -0.279 -11.478 -11.478
  657   1HB   PRO  92          2HB       PRO  92  -1.459 -12.953 -12.953
  658   2HB   PRO  92          1HB       PRO  92  -1.231 -13.548 -13.548
  659   1HG   PRO  92          2HG       PRO  92  -3.674 -12.458 -12.458
  660   2HG   PRO  92          1HG       PRO  92  -3.503 -13.780 -13.780
  661   1HD   PRO  92          2HD       PRO  92  -4.355 -11.272 -11.272
  662   2HD   PRO  92          1HD       PRO  92  -3.538 -12.372 -12.372
  663    H    GLU  93           H        GLU  93  -3.037  -9.961  -9.961
  664    HA   GLU  93           HA       GLU  93  -1.448  -9.257  -9.257
  665   1HB   GLU  93          2HB       GLU  93  -3.544  -8.150  -8.150
  666   2HB   GLU  93          1HB       GLU  93  -3.876  -9.773  -9.773
  667   1HG   GLU  93          2HG       GLU  93  -5.494  -8.545  -8.545
  668   2HG   GLU  93          1HG       GLU  93  -4.185  -8.524  -8.524
  669    H    LEU  94           H        LEU  94  -2.750  -7.584  -7.584
  670    HA   LEU  94           HA       LEU  94  -1.662  -4.985  -4.985
  671   1HB   LEU  94          2HB       LEU  94  -3.397  -6.228  -6.228
  672   2HB   LEU  94          1HB       LEU  94  -2.243  -5.192  -5.192
  673    HG   LEU  94           HG       LEU  94  -4.093  -4.431  -4.431
  674   1HD1  LEU  94          3HD1      LEU  94  -4.260  -4.374  -4.374
  675   2HD1  LEU  94          2HD1      LEU  94  -4.137  -2.707  -2.707
  676   3HD1  LEU  94          1HD1      LEU  94  -5.426  -3.749  -3.749
  677   1HD2  LEU  94          3HD2      LEU  94  -1.501  -3.444  -3.444
  678   2HD2  LEU  94          2HD2      LEU  94  -2.750  -2.670  -2.670
  679   3HD2  LEU  94          1HD2      LEU  94  -2.585  -2.259  -2.259
  680    H    ASP  95           H        ASP  95   0.593  -6.434  -6.434
  681    HA   ASP  95           HA       ASP  95   1.885  -6.426  -6.426
  682   1HB   ASP  95          2HB       ASP  95   2.687  -8.387  -8.387
  683   2HB   ASP  95          1HB       ASP  95   1.911  -8.080  -8.080
  684    H    GLY  96           H        GLY  96   3.935  -5.457  -5.457
  685   1HA   GLY  96          2HA       GLY  96   5.772  -4.000  -4.000
  686   2HA   GLY  96          1HA       GLY  96   4.678  -3.364  -3.364
  687    H    ILE  97           H        ILE  97   3.286  -3.976  -3.976
  688    HA   ILE  97           HA       ILE  97   2.308  -1.366  -1.366
  689    HB   ILE  97           HB       ILE  97   1.924  -3.823  -3.823
  690   1HG1  ILE  97          2HG1      ILE  97   0.167  -2.240  -2.240
  691   2HG1  ILE  97          1HG1      ILE  97   0.195  -2.639  -2.639
  692   1HG2  ILE  97          3HG2      ILE  97   3.797  -3.217  -3.217
  693   2HG2  ILE  97          2HG2      ILE  97   2.675  -2.034  -2.034
  694   3HG2  ILE  97          1HG2      ILE  97   2.272  -3.750  -3.750
  695   1HD1  ILE  97          3HD1      ILE  97   1.550  -0.613  -0.613
  696   2HD1  ILE  97          2HD1      ILE  97   1.470  -0.197  -0.197
  697   3HD1  ILE  97          1HD1      ILE  97   0.001  -0.207  -0.207
  698    H    VAL  98           H        VAL  98   3.134   0.434   0.434
  699    HA   VAL  98           HA       VAL  98   5.736   0.436   0.436
  700    HB   VAL  98           HB       VAL  98   4.406   2.797   2.797
  701   1HG1  VAL  98          1HG1      VAL  98   7.212   2.005   2.005
  702   2HG1  VAL  98          3HG1      VAL  98   6.909   3.289   3.289
  703   3HG1  VAL  98          2HG1      VAL  98   6.304   3.439   3.439
  704   1HG2  VAL  98          1HG2      VAL  98   5.978   0.537   0.537
  705   2HG2  VAL  98          3HG2      VAL  98   4.413   1.181   1.181
  706   3HG2  VAL  98          2HG2      VAL  98   5.878   2.133   2.133
  707    H    VAL  99           H        VAL  99   5.414   0.712   0.712
  708    HA   VAL  99           HA       VAL  99   2.937   2.124   2.124
  709    HB   VAL  99           HB       VAL  99   4.891   0.814   0.814
  710   1HG1  VAL  99          2HG1      VAL  99   2.026   1.475   1.475
  711   2HG1  VAL  99          1HG1      VAL  99   2.389  -0.109  -0.109
  712   3HG1  VAL  99          3HG1      VAL  99   3.129   1.352   1.352
  713   1HG2  VAL  99          2HG2      VAL  99   3.561  -0.511  -0.511
  714   2HG2  VAL  99          1HG2      VAL  99   4.924  -1.021  -1.021
  715   3HG2  VAL  99          3HG2      VAL  99   3.282  -1.265  -1.265
  716    H    ASP 100           H        ASP 100   3.425   3.122   3.122
  717    HA   ASP 100           HA       ASP 100   6.023   4.344   4.344
  718   1HB   ASP 100          2HB       ASP 100   3.667   5.908   5.908
  719   2HB   ASP 100          1HB       ASP 100   4.965   6.703   6.703
  720    H    VAL 101           H        VAL 101   6.304   5.029   5.029
  721    HA   VAL 101           HA       VAL 101   3.949   4.636   4.636
  722    HB   VAL 101           HB       VAL 101   6.938   4.801   4.801
  723   1HG1  VAL 101          3HG1      VAL 101   5.412   5.871   5.871
  724   2HG1  VAL 101          2HG1      VAL 101   4.944   4.205   4.205
  725   3HG1  VAL 101          1HG1      VAL 101   6.630   4.697   4.697
  726   1HG2  VAL 101          3HG2      VAL 101   5.839   2.684   2.684
  727   2HG2  VAL 101          2HG2      VAL 101   6.714   2.475   2.475
  728   3HG2  VAL 101          1HG2      VAL 101   4.950   2.582   2.582
  729    HA   PRO 102           HA       PRO 102   3.636   9.109   9.109
  730   1HB   PRO 102          2HB       PRO 102   1.276   9.228   9.228
  731   2HB   PRO 102          1HB       PRO 102   1.392   8.786   8.786
  732   1HG   PRO 102          2HG       PRO 102   1.064   7.042   7.042
  733   2HG   PRO 102          1HG       PRO 102   0.332   6.916   6.916
  734   1HD   PRO 102          2HD       PRO 102   2.436   5.395   5.395
  735   2HD   PRO 102          1HD       PRO 102   2.133   5.839   5.839
  736    H    ASP 103           H        ASP 103   5.292   9.803   9.803
  737    HA   ASP 103           HA       ASP 103   4.431   9.828   9.828
  738   1HB   ASP 103          2HB       ASP 103   6.904   9.288   9.288
  739   2HB   ASP 103          1HB       ASP 103   7.123  10.582  10.582
  740    H    ARG 104           H        ARG 104   3.120  11.789  11.789
  741    HA   ARG 104           HA       ARG 104   4.740  14.187  14.187
  742   1HB   ARG 104          2HB       ARG 104   2.493  15.222  15.222
  743   2HB   ARG 104          1HB       ARG 104   2.916  13.857  13.857
  744   1HG   ARG 104          2HG       ARG 104   0.620  13.575  13.575
  745   2HG   ARG 104          1HG       ARG 104   1.572  12.379  12.379
  746   1HD   ARG 104          2HD       ARG 104   1.234  15.019  15.019
  747   2HD   ARG 104          1HD       ARG 104  -0.196  13.976  13.976
  748    HE   ARG 104           HE       ARG 104   2.280  12.618  12.618
  749   1HH1  ARG 104          1HH1      ARG 104   0.926  14.958  14.958
  750   2HH1  ARG 104          2HH1      ARG 104   0.226  13.967  13.967
  751   1HH2  ARG 104          1HH2      ARG 104   0.719  11.002  11.002
  752   2HH2  ARG 104          2HH2      ARG 104   0.109  11.727  11.727
  753    H    GLN 105           H        GLN 105   4.404  12.820  12.820
  754    HA   GLN 105           HA       GLN 105   2.833  14.494  14.494
  755   1HB   GLN 105          2HB       GLN 105   3.697  12.259  12.259
  756   2HB   GLN 105          1HB       GLN 105   5.351  12.871  12.871
  757   1HG   GLN 105          2HG       GLN 105   4.733  12.873  12.873
  758   2HG   GLN 105          1HG       GLN 105   4.682  14.555  14.555
  759   1HE2  GLN 105          2HE2      GLN 105   1.414  13.131  13.131
  760   2HE2  GLN 105          1HE2      GLN 105   2.998  12.591  12.591
  761    H    TRP 106           H        TRP 106   3.589  16.588  16.588
  762    HA   TRP 106           HA       TRP 106   6.254  17.571  17.571
  763   1HB   TRP 106          2HB       TRP 106   3.962  18.722  18.722
  764   2HB   TRP 106          1HB       TRP 106   5.509  19.536  19.536
  765    HD1  TRP 106           HD       TRP 106   3.819  16.977  16.977
  766    HE1  TRP 106          1HE       TRP 106   5.512  15.894  15.894
  767    HE3  TRP 106          3HE       TRP 106   8.182  18.743  18.743
  768    HZ2  TRP 106          2HZ       TRP 106   8.346  15.791  15.791
  769    HZ3  TRP 106          3HZ       TRP 106  10.362  18.138  18.138
  770    HH2  TRP 106           HH       TRP 106  10.448  16.666  16.666

  Start of MODEL   14
    1   1H    SER   1          1HT       SER   1   3.403 -10.697 -10.697
    2   2H    SER   1          3HT       SER   1   1.959 -10.815 -10.815
    3   3H    SER   1          2HT       SER   1   3.436 -11.234 -11.234
    4    HA   SER   1           HA       SER   1   3.218  -9.150  -9.150
    5   1HB   SER   1          2HB       SER   1   2.162  -7.593  -7.593
    6   2HB   SER   1          1HB       SER   1   1.326  -8.105  -8.105
    7    HG   SER   1           HG       SER   1   1.556  -9.517  -9.517
    8    H    LYS   2           H        LYS   2   4.787  -7.526  -7.526
    9    HA   LYS   2           HA       LYS   2   6.877  -7.763  -7.763
   10   1HB   LYS   2          2HB       LYS   2   6.925  -7.259  -7.259
   11   2HB   LYS   2          1HB       LYS   2   6.683  -5.593  -5.593
   12   1HG   LYS   2          2HG       LYS   2   8.899  -7.412  -7.412
   13   2HG   LYS   2          1HG       LYS   2   9.098  -6.171  -6.171
   14   1HD   LYS   2          2HD       LYS   2   8.214  -4.496  -4.496
   15   2HD   LYS   2          1HD       LYS   2   8.344  -5.769  -5.769
   16   1HE   LYS   2          2HE       LYS   2  10.687  -4.952  -4.952
   17   2HE   LYS   2          1HE       LYS   2  10.373  -4.228  -4.228
   18   1HZ   LYS   2          1HZ       LYS   2  10.608  -7.143  -7.143
   19   2HZ   LYS   2          3HZ       LYS   2  11.820  -6.185  -6.185
   20   3HZ   LYS   2          2HZ       LYS   2  10.349  -6.422  -6.422
   21    H    VAL   3           H        VAL   3   6.381  -6.808  -6.808
   22    HA   VAL   3           HA       VAL   3   5.019  -4.145  -4.145
   23    HB   VAL   3           HB       VAL   3   5.080  -6.475  -6.475
   24   1HG1  VAL   3          1HG1      VAL   3   4.565  -3.579  -3.579
   25   2HG1  VAL   3          3HG1      VAL   3   3.755  -4.869  -4.869
   26   3HG1  VAL   3          2HG1      VAL   3   5.515  -4.762  -4.762
   27   1HG2  VAL   3          1HG2      VAL   3   3.337  -5.668  -5.668
   28   2HG2  VAL   3          3HG2      VAL   3   2.853  -6.588  -6.588
   29   3HG2  VAL   3          2HG2      VAL   3   2.673  -4.834  -4.834
   30    H    VAL   4           H        VAL   4   5.948  -2.415  -2.415
   31    HA   VAL   4           HA       VAL   4   8.563  -2.878  -2.878
   32    HB   VAL   4           HB       VAL   4   7.842  -1.093  -1.093
   33   1HG1  VAL   4          1HG1      VAL   4   8.654   0.418   0.418
   34   2HG1  VAL   4          3HG1      VAL   4  10.122  -0.552  -0.552
   35   3HG1  VAL   4          2HG1      VAL   4   9.768   0.348   0.348
   36   1HG2  VAL   4          2HG2      VAL   4   9.137  -3.348  -3.348
   37   2HG2  VAL   4          1HG2      VAL   4   9.774  -1.985  -1.985
   38   3HG2  VAL   4          3HG2      VAL   4  10.484  -2.405  -2.405
   39    H    TYR   5           H        TYR   5   8.562  -2.090  -2.090
   40    HA   TYR   5           HA       TYR   5   6.413  -0.268  -0.268
   41   1HB   TYR   5          2HB       TYR   5   8.484  -2.055  -2.055
   42   2HB   TYR   5          1HB       TYR   5   7.279  -1.185  -1.185
   43    HD1  TYR   5          2HD       TYR   5   4.860  -1.357  -1.357
   44    HD2  TYR   5          1HD       TYR   5   7.968  -4.308  -4.308
   45    HE1  TYR   5          2HE       TYR   5   3.219  -3.141  -3.141
   46    HE2  TYR   5          1HE       TYR   5   6.338  -6.039  -6.039
   47    HH   TYR   5           HH       TYR   5   3.656  -6.257  -6.257
   48    H    VAL   6           H        VAL   6   6.845   1.775   1.775
   49    HA   VAL   6           HA       VAL   6   9.760   2.492   2.492
   50    HB   VAL   6           HB       VAL   6   7.581   4.426   4.426
   51   1HG1  VAL   6          3HG1      VAL   6  10.350   4.630   4.630
   52   2HG1  VAL   6          2HG1      VAL   6  10.185   4.941   4.941
   53   3HG1  VAL   6          1HG1      VAL   6   9.275   5.907   5.907
   54   1HG2  VAL   6          3HG2      VAL   6   7.776   2.465   2.465
   55   2HG2  VAL   6          2HG2      VAL   6   8.117   4.038   4.038
   56   3HG2  VAL   6          1HG2      VAL   6   9.444   2.957   2.957
   57    H    SER   7           H        SER   7  10.189   4.109   4.109
   58    HA   SER   7           HA       SER   7   8.079   4.240   4.240
   59   1HB   SER   7          2HB       SER   7   9.875   4.017   4.017
   60   2HB   SER   7          1HB       SER   7  10.144   2.779   2.779
   61    HG   SER   7           HG       SER   7  12.031   4.025   4.025
   62    H    HIS   8           H        HIS   8   7.665   6.329   6.329
   63    HA   HIS   8           HA       HIS   8   8.183   8.608   8.608
   64   1HB   HIS   8          2HB       HIS   8   8.045   9.729   9.729
   65   2HB   HIS   8          1HB       HIS   8   6.655   8.905   8.905
   66    HD1  HIS   8          1HD       HIS   8   5.576   7.572   7.572
   67    HD2  HIS   8          2HD       HIS   8   9.704   7.448   7.448
   68    HE1  HIS   8          1HE       HIS   8   6.028   6.021   6.021
   69    H    ASP   9           H        ASP   9  10.445   6.937   6.937
   70    HA   ASP   9           HA       ASP   9  12.335   9.192   9.192
   71   1HB   ASP   9          2HB       ASP   9  13.730   7.425   7.425
   72   2HB   ASP   9          1HB       ASP   9  12.161   7.730   7.730
   73    H    GLY  10           H        GLY  10  11.513   6.936   6.936
   74   1HA   GLY  10          2HA       GLY  10  12.703   7.087   7.087
   75   2HA   GLY  10          1HA       GLY  10  14.210   7.198   7.198
   76    H    THR  11           H        THR  11  13.795   5.043   5.043
   77    HA   THR  11           HA       THR  11  14.786   2.849   2.849
   78    HB   THR  11           HB       THR  11  13.829   3.530   3.530
   79    HG1  THR  11          1HG       THR  11  15.870   2.554   2.554
   80   1HG2  THR  11          2HG2      THR  11  11.901   2.033   2.033
   81   2HG2  THR  11          1HG2      THR  11  13.038   0.730   0.730
   82   3HG2  THR  11          3HG2      THR  11  12.931   1.400   1.400
   83    H    ARG  12           H        ARG  12  13.926   1.322   1.322
   84    HA   ARG  12           HA       ARG  12  10.944   1.136   1.136
   85   1HB   ARG  12          2HB       ARG  12  12.896   0.814   0.814
   86   2HB   ARG  12          1HB       ARG  12  11.166   1.143   1.143
   87   1HG   ARG  12          2HG       ARG  12  11.615   3.348   3.348
   88   2HG   ARG  12          1HG       ARG  12  13.337   3.016   3.016
   89   1HD   ARG  12          2HD       ARG  12  11.910   2.607   2.607
   90   2HD   ARG  12          1HD       ARG  12  11.720   4.264   4.264
   91    HE   ARG  12           HE       ARG  12  14.448   3.399   3.399
   92   1HH1  ARG  12          1HH2      ARG  12  12.123   4.832   4.832
   93   2HH1  ARG  12          2HH2      ARG  12  13.284   5.324   5.324
   94   1HH2  ARG  12          1HH1      ARG  12  15.969   3.857   3.857
   95   2HH2  ARG  12          2HH1      ARG  12  15.461   4.772   4.772
   96    H    ARG  13           H        ARG  13  10.197  -1.001  -1.001
   97    HA   ARG  13           HA       ARG  13  12.202  -3.200  -3.200
   98   1HB   ARG  13          2HB       ARG  13  10.007  -4.343  -4.343
   99   2HB   ARG  13          1HB       ARG  13  11.358  -3.666  -3.666
  100   1HG   ARG  13          2HG       ARG  13   9.692  -1.468  -1.468
  101   2HG   ARG  13          1HG       ARG  13   8.581  -2.792  -2.792
  102   1HD   ARG  13          2HD       ARG  13   9.051  -1.991  -1.991
  103   2HD   ARG  13          1HD       ARG  13  10.258  -3.281  -3.281
  104    HE   ARG  13           HE       ARG  13  11.564  -1.130  -1.130
  105   1HH1  ARG  13          1HH1      ARG  13   9.544   0.342   0.342
  106   2HH1  ARG  13          2HH1      ARG  13  10.560   0.630   0.630
  107   1HH2  ARG  13          1HH2      ARG  13  13.007  -1.611  -1.611
  108   2HH2  ARG  13          2HH2      ARG  13  12.521  -0.476  -0.476
  109    H    GLU  14           H        GLU  14  12.028  -4.430  -4.430
  110    HA   GLU  14           HA       GLU  14   9.571  -4.255  -4.255
  111   1HB   GLU  14          2HB       GLU  14  12.213  -5.639  -5.639
  112   2HB   GLU  14          1HB       GLU  14  11.023  -5.107  -5.107
  113   1HG   GLU  14          2HG       GLU  14  12.258  -3.217  -3.217
  114   2HG   GLU  14          1HG       GLU  14  11.556  -2.786  -2.786
  115    H    LEU  15           H        LEU  15   8.080  -5.931  -5.931
  116    HA   LEU  15           HA       LEU  15   8.974  -8.570  -8.570
  117   1HB   LEU  15          2HB       LEU  15   6.524  -6.885  -6.885
  118   2HB   LEU  15          1HB       LEU  15   6.360  -8.633  -8.633
  119    HG   LEU  15           HG       LEU  15   8.087  -6.828  -6.828
  120   1HD1  LEU  15          3HD1      LEU  15   5.518  -8.200  -8.200
  121   2HD1  LEU  15          2HD1      LEU  15   6.657  -8.657  -8.657
  122   3HD1  LEU  15          1HD1      LEU  15   6.226  -6.965  -6.965
  123   1HD2  LEU  15          3HD2      LEU  15   7.910  -9.833  -9.833
  124   2HD2  LEU  15          2HD2      LEU  15   9.325  -8.878  -8.878
  125   3HD2  LEU  15          1HD2      LEU  15   8.799  -8.864  -8.864
  126    H    ASP  16           H        ASP  16   8.293 -10.420 -10.420
  127    HA   ASP  16           HA       ASP  16   7.097 -10.070 -10.070
  128   1HB   ASP  16          2HB       ASP  16   7.953 -12.474 -12.474
  129   2HB   ASP  16          1HB       ASP  16   9.203 -11.256 -11.256
  130    H    VAL  17           H        VAL  17   4.901  -9.839  -9.839
  131    HA   VAL  17           HA       VAL  17   3.814 -12.026 -12.026
  132    HB   VAL  17           HB       VAL  17   2.889  -9.300  -9.300
  133   1HG1  VAL  17          1HG1      VAL  17   1.378 -11.354 -11.354
  134   2HG1  VAL  17          3HG1      VAL  17   0.888  -9.671  -9.671
  135   3HG1  VAL  17          2HG1      VAL  17   0.925 -10.754 -10.754
  136   1HG2  VAL  17          3HG2      VAL  17   4.372 -10.290 -10.290
  137   2HG2  VAL  17          2HG2      VAL  17   3.825  -8.639  -8.639
  138   3HG2  VAL  17          1HG2      VAL  17   2.801  -9.764  -9.764
  139    H    ALA  18           H        ALA  18   1.527 -12.746 -12.746
  140    HA   ALA  18           HA       ALA  18   1.430 -13.201 -13.201
  141   1HB   ALA  18          3HB       ALA  18   2.006 -15.176 -15.176
  142   2HB   ALA  18          2HB       ALA  18   0.529 -14.950 -14.950
  143   3HB   ALA  18          1HB       ALA  18   0.429 -15.381 -15.381
  144    H    ASP  19           H        ASP  19  -1.244 -14.621 -14.621
  145    HA   ASP  19           HA       ASP  19  -2.898 -12.150 -12.150
  146   1HB   ASP  19          2HB       ASP  19  -4.339 -13.437 -13.437
  147   2HB   ASP  19          1HB       ASP  19  -2.735 -14.024 -14.024
  148    H    GLY  20           H        GLY  20  -4.072 -11.688 -11.688
  149   1HA   GLY  20          2HA       GLY  20  -5.815 -12.438 -12.438
  150   2HA   GLY  20          1HA       GLY  20  -4.927 -13.952 -13.952
  151    H    VAL  21           H        VAL  21  -2.485 -11.839 -11.839
  152    HA   VAL  21           HA       VAL  21  -2.373 -11.700 -11.700
  153    HB   VAL  21           HB       VAL  21  -0.354 -11.151 -11.151
  154   1HG1  VAL  21          3HG1      VAL  21  -0.037 -11.357 -11.357
  155   2HG1  VAL  21          2HG1      VAL  21   1.309 -11.315 -11.315
  156   3HG1  VAL  21          1HG1      VAL  21   0.236  -9.924  -9.924
  157   1HG2  VAL  21          1HG2      VAL  21  -1.222 -13.587 -13.587
  158   2HG2  VAL  21          3HG2      VAL  21  -0.406 -13.428 -13.428
  159   3HG2  VAL  21          2HG2      VAL  21   0.527 -13.349 -13.349
  160    H    SER  22           H        SER  22  -1.336  -9.684  -9.684
  161    HA   SER  22           HA       SER  22  -2.310  -7.208  -7.208
  162   1HB   SER  22          2HB       SER  22  -2.037  -6.869  -6.869
  163   2HB   SER  22          1HB       SER  22  -3.515  -6.805  -6.805
  164    HG   SER  22           HG       SER  22  -3.665  -9.058  -9.058
  165    H    LEU  23           H        LEU  23  -0.978  -5.231  -5.231
  166    HA   LEU  23           HA       LEU  23   1.825  -5.811  -5.811
  167   1HB   LEU  23          2HB       LEU  23   0.381  -3.364  -3.364
  168   2HB   LEU  23          1HB       LEU  23   2.078  -3.401  -3.401
  169    HG   LEU  23           HG       LEU  23   1.656  -3.118  -3.118
  170   1HD1  LEU  23          2HD1      LEU  23   0.807  -5.513  -5.513
  171   2HD1  LEU  23          1HD1      LEU  23  -0.816  -4.855  -4.855
  172   3HD1  LEU  23          3HD1      LEU  23   0.138  -4.416  -4.416
  173   1HD2  LEU  23          2HD2      LEU  23  -0.992  -2.489  -2.489
  174   2HD2  LEU  23          1HD2      LEU  23   0.247  -1.378  -1.378
  175   3HD2  LEU  23          3HD2      LEU  23  -0.751  -2.272  -2.272
  176    H    MET  24           H        MET  24  -0.258  -5.583  -5.583
  177    HA   MET  24           HA       MET  24   1.991  -5.558  -5.558
  178   1HB   MET  24          2HB       MET  24  -0.645  -4.750  -4.750
  179   2HB   MET  24          1HB       MET  24  -0.657  -6.200  -6.200
  180   1HG   MET  24          2HG       MET  24   1.217  -3.852  -3.852
  181   2HG   MET  24          1HG       MET  24  -0.162  -4.211  -4.211
  182   1HE   MET  24          2HE       MET  24  -0.631  -6.115  -6.115
  183   2HE   MET  24          1HE       MET  24   0.424  -7.444  -7.444
  184   3HE   MET  24          3HE       MET  24   0.438  -5.918  -5.918
  185    H    GLN  25           H        GLN  25   0.809  -7.939  -7.939
  186    HA   GLN  25           HA       GLN  25   0.884  -9.985  -9.985
  187   1HB   GLN  25          2HB       GLN  25  -1.013  -9.916  -9.916
  188   2HB   GLN  25          1HB       GLN  25   0.073  -9.971  -9.971
  189   1HG   GLN  25          2HG       GLN  25   0.588 -12.223 -12.223
  190   2HG   GLN  25          1HG       GLN  25   0.213 -12.155 -12.155
  191   1HE2  GLN  25          2HE2      GLN  25  -3.339 -11.848 -11.848
  192   2HE2  GLN  25          1HE2      GLN  25  -2.226 -10.570 -10.570
  193    H    ALA  26           H        ALA  26   2.093  -9.796  -9.796
  194    HA   ALA  26           HA       ALA  26   4.152 -11.718 -11.718
  195   1HB   ALA  26          3HB       ALA  26   3.746  -9.169  -9.169
  196   2HB   ALA  26          2HB       ALA  26   5.288 -10.052 -10.052
  197   3HB   ALA  26          1HB       ALA  26   3.749 -10.845 -10.845
  198    H    ALA  27           H        ALA  27   4.255  -8.218  -8.218
  199    HA   ALA  27           HA       ALA  27   6.970  -7.978  -7.978
  200   1HB   ALA  27          1HB       ALA  27   4.377  -6.545  -6.545
  201   2HB   ALA  27          3HB       ALA  27   5.694  -6.035  -6.035
  202   3HB   ALA  27          2HB       ALA  27   5.889  -5.971  -5.971
  203    H    VAL  28           H        VAL  28   3.999  -8.264  -8.264
  204    HA   VAL  28           HA       VAL  28   4.778  -8.418  -8.418
  205    HB   VAL  28           HB       VAL  28   2.737  -9.331  -9.331
  206   1HG1  VAL  28          3HG1      VAL  28   3.665 -11.407 -11.407
  207   2HG1  VAL  28          2HG1      VAL  28   1.947 -11.246 -11.246
  208   3HG1  VAL  28          1HG1      VAL  28   3.086 -11.623 -11.623
  209   1HG2  VAL  28          2HG2      VAL  28   2.763  -7.826  -7.826
  210   2HG2  VAL  28          1HG2      VAL  28   1.316  -8.752  -8.752
  211   3HG2  VAL  28          3HG2      VAL  28   2.413  -9.338  -9.338
  212    H    SER  29           H        SER  29   4.756 -11.265 -11.265
  213    HA   SER  29           HA       SER  29   6.226 -13.053 -13.053
  214   1HB   SER  29          2HB       SER  29   6.844 -13.383 -13.383
  215   2HB   SER  29          1HB       SER  29   5.706 -14.320 -14.320
  216    HG   SER  29           HG       SER  29   4.707 -13.274 -13.274
  217    H    ASN  30           H        ASN  30   7.232 -10.901 -10.901
  218    HA   ASN  30           HA       ASN  30  10.054 -11.368 -11.368
  219   1HB   ASN  30          2HB       ASN  30   8.090  -9.520  -9.520
  220   2HB   ASN  30          1HB       ASN  30   9.688  -8.817  -8.817
  221   1HD2  ASN  30          2HD2      ASN  30   9.091 -11.511 -11.511
  222   2HD2  ASN  30          1HD2      ASN  30   7.823 -10.915 -10.915
  223    H    GLY  31           H        GLY  31   7.950  -9.954  -9.954
  224   1HA   GLY  31          2HA       GLY  31   8.431  -8.823  -8.823
  225   2HA   GLY  31          1HA       GLY  31  10.146  -8.920  -8.920
  226    H    ILE  32           H        ILE  32   8.605  -7.685  -7.685
  227    HA   ILE  32           HA       ILE  32   9.756  -5.140  -5.140
  228    HB   ILE  32           HB       ILE  32   7.451  -6.510  -6.510
  229   1HG1  ILE  32          2HG1      ILE  32   9.926  -5.090  -5.090
  230   2HG1  ILE  32          1HG1      ILE  32   9.684  -6.835  -6.835
  231   1HG2  ILE  32          3HG2      ILE  32   7.986  -3.539  -3.539
  232   2HG2  ILE  32          2HG2      ILE  32   6.957  -4.477  -4.477
  233   3HG2  ILE  32          1HG2      ILE  32   6.507  -4.282  -4.282
  234   1HD1  ILE  32          2HD1      ILE  32   7.625  -6.457  -6.457
  235   2HD1  ILE  32          1HD1      ILE  32   8.336  -4.884  -4.884
  236   3HD1  ILE  32          3HD1      ILE  32   9.216  -6.359  -6.359
  237    H    TYR  33           H        TYR  33   6.788  -6.269  -6.269
  238    HA   TYR  33           HA       TYR  33   6.245  -3.474  -3.474
  239   1HB   TYR  33          2HB       TYR  33   4.591  -5.977  -5.977
  240   2HB   TYR  33          1HB       TYR  33   4.023  -4.589  -4.589
  241    HD1  TYR  33          1HD       TYR  33   4.071  -2.276  -2.276
  242    HD2  TYR  33          2HD       TYR  33   4.444  -5.988  -5.988
  243    HE1  TYR  33          1HE       TYR  33   3.466  -1.118  -1.118
  244    HE2  TYR  33          2HE       TYR  33   3.835  -4.878  -4.878
  245    HH   TYR  33           HH       TYR  33   4.090  -2.120  -2.120
  246    H    ASP  34           H        ASP  34   8.358  -4.479  -4.479
  247    HA   ASP  34           HA       ASP  34   7.540  -5.887  -5.887
  248   1HB   ASP  34          2HB       ASP  34   9.854  -5.552  -5.552
  249   2HB   ASP  34          1HB       ASP  34   9.834  -5.865  -5.865
  250    H    ILE  35           H        ILE  35   5.835  -3.685  -3.685
  251    HA   ILE  35           HA       ILE  35   6.681  -1.718  -1.718
  252    HB   ILE  35           HB       ILE  35   6.547  -0.570  -0.570
  253   1HG1  ILE  35          2HG1      ILE  35   3.737  -0.441  -0.441
  254   2HG1  ILE  35          1HG1      ILE  35   5.119   0.479   0.479
  255   1HG2  ILE  35          2HG2      ILE  35   4.074  -2.232  -2.232
  256   2HG2  ILE  35          1HG2      ILE  35   4.707  -0.959  -0.959
  257   3HG2  ILE  35          3HG2      ILE  35   5.658  -2.414  -2.414
  258   1HD1  ILE  35          2HD1      ILE  35   5.099   0.945   0.945
  259   2HD1  ILE  35          1HD1      ILE  35   3.403   1.021   1.021
  260   3HD1  ILE  35          3HD1      ILE  35   4.588   2.071   2.071
  261    H    VAL  36           H        VAL  36   4.596  -0.721  -0.721
  262    HA   VAL  36           HA       VAL  36   2.965  -2.919  -2.919
  263    HB   VAL  36           HB       VAL  36   3.658  -1.212  -1.212
  264   1HG1  VAL  36          2HG1      VAL  36   2.789   0.584   0.584
  265   2HG1  VAL  36          1HG1      VAL  36   2.620   1.194   1.194
  266   3HG1  VAL  36          3HG1      VAL  36   4.204   0.702   0.702
  267   1HG2  VAL  36          2HG2      VAL  36   1.023  -1.910  -1.910
  268   2HG2  VAL  36          1HG2      VAL  36   1.657  -0.974  -0.974
  269   3HG2  VAL  36          3HG2      VAL  36   0.929  -0.148  -0.148
  270    H    GLY  37           H        GLY  37   1.855  -3.580  -3.580
  271   1HA   GLY  37          2HA       GLY  37  -0.293  -1.692  -1.692
  272   2HA   GLY  37          1HA       GLY  37   0.454  -2.861  -2.861
  273    H    ASP  38           H        ASP  38  -2.328  -2.376  -2.376
  274    HA   ASP  38           HA       ASP  38  -2.699  -5.235  -5.235
  275   1HB   ASP  38          2HB       ASP  38  -4.720  -4.257  -4.257
  276   2HB   ASP  38          1HB       ASP  38  -3.189  -3.577  -3.577
  277    H    CYS  39           H        CYS  39  -2.676  -5.202  -5.202
  278    HA   CYS  39           HA       CYS  39  -5.510  -4.833  -4.833
  279   1HB   CYS  39          2HB       CYS  39  -4.284  -5.047  -5.047
  280   2HB   CYS  39          1HB       CYS  39  -4.213  -3.520  -3.520
  281    H    GLY  40           H        GLY  40  -2.722  -7.010  -7.010
  282   1HA   GLY  40          2HA       GLY  40  -2.766  -9.272  -9.272
  283   2HA   GLY  40          1HA       GLY  40  -3.939  -9.443  -9.443
  284    H    GLY  41           H        GLY  41  -4.217  -7.530  -7.530
  285   1HA   GLY  41          2HA       GLY  41  -5.659  -7.823  -7.823
  286   2HA   GLY  41          1HA       GLY  41  -6.149  -9.386  -9.386
  287    H    SER  42           H        SER  42  -6.175  -6.296  -6.296
  288    HA   SER  42           HA       SER  42  -9.162  -6.467  -6.467
  289   1HB   SER  42          2HB       SER  42  -7.890  -7.243  -7.243
  290   2HB   SER  42          1HB       SER  42  -7.314  -5.588  -5.588
  291    HG   SER  42           HG       SER  42 -10.022  -6.457  -6.457
  292    H    ALA  43           H        ALA  43  -6.342  -4.442  -4.442
  293    HA   ALA  43           HA       ALA  43  -6.148  -2.159  -2.159
  294   1HB   ALA  43          1HB       ALA  43  -9.002  -2.797  -2.797
  295   2HB   ALA  43          3HB       ALA  43  -8.202  -1.286  -1.286
  296   3HB   ALA  43          2HB       ALA  43  -7.585  -2.812  -2.812
  297    H    SER  44           H        SER  44  -6.271  -2.249  -2.249
  298    HA   SER  44           HA       SER  44  -8.282  -0.162  -0.162
  299   1HB   SER  44          2HB       SER  44  -7.974  -1.513  -1.513
  300   2HB   SER  44          1HB       SER  44  -9.157  -2.001  -2.001
  301    HG   SER  44           HG       SER  44  -8.077  -3.813  -3.813
  302    H    CYS  45           H        CYS  45  -5.102  -0.659  -0.659
  303    HA   CYS  45           HA       CYS  45  -4.192   0.864   0.864
  304   1HB   CYS  45          2HB       CYS  45  -1.992  -0.170  -0.170
  305   2HB   CYS  45          1HB       CYS  45  -2.520  -0.624  -0.624
  306    H    ALA  46           H        ALA  46  -3.917   2.980   2.980
  307    HA   ALA  46           HA       ALA  46  -3.540   4.098   4.098
  308   1HB   ALA  46          2HB       ALA  46  -4.464   4.946   4.946
  309   2HB   ALA  46          1HB       ALA  46  -2.873   5.703   5.703
  310   3HB   ALA  46          3HB       ALA  46  -4.049   6.028   6.028
  311    H    THR  47           H        THR  47  -1.458   2.427   2.427
  312    HA   THR  47           HA       THR  47   0.929   4.112   4.112
  313    HB   THR  47           HB       THR  47   0.515   2.749   2.749
  314    HG1  THR  47          1HG       THR  47   2.608   2.782   2.782
  315   1HG2  THR  47          2HG2      THR  47  -0.434   0.870   0.870
  316   2HG2  THR  47          1HG2      THR  47   1.107   0.179   0.179
  317   3HG2  THR  47          3HG2      THR  47  -0.118   0.580   0.580
  318    H    CYS  48           H        CYS  48  -0.528   1.306   1.306
  319    HA   CYS  48           HA       CYS  48   1.899   0.857   0.857
  320   1HB   CYS  48          2HB       CYS  48  -0.565  -0.551  -0.551
  321   2HB   CYS  48          1HB       CYS  48   1.025  -1.159  -1.159
  322    H    HIS  49           H        HIS  49  -0.219   3.221   3.221
  323    HA   HIS  49           HA       HIS  49  -1.627   3.419   3.419
  324   1HB   HIS  49          2HB       HIS  49  -1.160   5.098   5.098
  325   2HB   HIS  49          1HB       HIS  49   0.272   5.558   5.558
  326    HD1  HIS  49          1HD       HIS  49  -1.607   7.808   7.808
  327    HD2  HIS  49          2HD       HIS  49  -2.145   4.876   4.876
  328    HE1  HIS  49          1HE       HIS  49  -3.055   8.831   8.831
  329    H    VAL  50           H        VAL  50  -1.117   3.606   3.606
  330    HA   VAL  50           HA       VAL  50   1.707   3.952   3.952
  331    HB   VAL  50           HB       VAL  50   1.494   2.000   2.000
  332   1HG1  VAL  50          1HG1      VAL  50   2.015   2.006   2.006
  333   2HG1  VAL  50          3HG1      VAL  50   0.736   0.796   0.796
  334   3HG1  VAL  50          2HG1      VAL  50   2.205   0.600   0.600
  335   1HG2  VAL  50          3HG2      VAL  50  -1.062   2.257   2.257
  336   2HG2  VAL  50          2HG2      VAL  50  -0.435   0.605   0.605
  337   3HG2  VAL  50          1HG2      VAL  50  -1.066   1.380   1.380
  338    H    TYR  51           H        TYR  51   1.873   4.594   4.594
  339    HA   TYR  51           HA       TYR  51  -0.699   5.426   5.426
  340   1HB   TYR  51          2HB       TYR  51   1.843   6.833   6.833
  341   2HB   TYR  51          1HB       TYR  51   1.038   7.260   7.260
  342    HD1  TYR  51          2HD       TYR  51   0.505   6.962   6.962
  343    HD2  TYR  51          1HD       TYR  51  -0.966   8.494   8.494
  344    HE1  TYR  51          2HE       TYR  51  -1.274   8.252   8.252
  345    HE2  TYR  51          1HE       TYR  51  -2.654   9.789   9.789
  346    HH   TYR  51           HH       TYR  51  -2.596  10.381  10.381
  347    H    VAL  52           H        VAL  52  -0.965   4.607   4.607
  348    HA   VAL  52           HA       VAL  52   1.292   3.064   3.064
  349    HB   VAL  52           HB       VAL  52  -1.614   3.257   3.257
  350   1HG1  VAL  52          3HG1      VAL  52  -0.015   2.258   2.258
  351   2HG1  VAL  52          2HG1      VAL  52   0.454   1.072   1.072
  352   3HG1  VAL  52          1HG1      VAL  52  -1.197   1.089   1.089
  353   1HG2  VAL  52          3HG2      VAL  52  -0.317   1.965   1.965
  354   2HG2  VAL  52          2HG2      VAL  52  -2.026   2.300   2.300
  355   3HG2  VAL  52          1HG2      VAL  52  -1.283   0.857   0.857
  356    H    ASN  53           H        ASN  53   1.529   3.226   3.226
  357    HA   ASN  53           HA       ASN  53   1.570   6.089   6.089
  358   1HB   ASN  53          2HB       ASN  53   2.902   5.104   5.104
  359   2HB   ASN  53          1HB       ASN  53   3.582   4.775   4.775
  360   1HD2  ASN  53          2HD2      ASN  53   3.543   1.532   1.532
  361   2HD2  ASN  53          1HD2      ASN  53   4.353   3.012   3.012
  362    H    GLU  54           H        GLU  54   0.185   6.921   6.921
  363    HA   GLU  54           HA       GLU  54  -2.303   6.034   6.034
  364   1HB   GLU  54          2HB       GLU  54  -1.964   7.314   7.314
  365   2HB   GLU  54          1HB       GLU  54  -1.522   8.175   8.175
  366   1HG   GLU  54          2HG       GLU  54   0.846   7.450   7.450
  367   2HG   GLU  54          1HG       GLU  54   0.371   6.724   6.724
  368    H    ALA  55           H        ALA  55   0.642   4.704   4.704
  369    HA   ALA  55           HA       ALA  55  -0.606   3.391   3.391
  370   1HB   ALA  55          3HB       ALA  55   1.953   3.032   3.032
  371   2HB   ALA  55          2HB       ALA  55   1.578   2.046   2.046
  372   3HB   ALA  55          1HB       ALA  55   1.741   3.795   3.795
  373    H    PHE  56           H        PHE  56  -0.590   2.617   2.617
  374    HA   PHE  56           HA       PHE  56  -1.714  -0.082  -0.082
  375   1HB   PHE  56          2HB       PHE  56   0.223   0.730   0.730
  376   2HB   PHE  56          1HB       PHE  56  -0.478  -0.884  -0.884
  377    HD1  PHE  56          1HD       PHE  56   1.563   1.667   1.667
  378    HD2  PHE  56          2HD       PHE  56   0.423  -2.501  -2.501
  379    HE1  PHE  56          1HE       PHE  56   3.236   1.179   1.179
  380    HE2  PHE  56          2HE       PHE  56   2.087  -2.943  -2.943
  381    HZ   PHE  56           HZ       PHE  56   3.499  -1.126  -1.126
  382    H    THR  57           H        THR  57  -2.149   2.886   2.886
  383    HA   THR  57           HA       THR  57  -3.903   1.832   1.832
  384    HB   THR  57           HB       THR  57  -3.934   4.002   4.002
  385    HG1  THR  57          1HG       THR  57  -3.671   5.677   5.677
  386   1HG2  THR  57          3HG2      THR  57  -1.491   3.350   3.350
  387   2HG2  THR  57          2HG2      THR  57  -1.836   4.928   4.928
  388   3HG2  THR  57          1HG2      THR  57  -1.782   4.741   4.741
  389    H    ASP  58           H        ASP  58  -4.176   2.996   2.996
  390    HA   ASP  58           HA       ASP  58  -7.033   3.495   3.495
  391   1HB   ASP  58          2HB       ASP  58  -6.677   3.835   3.835
  392   2HB   ASP  58          1HB       ASP  58  -5.179   4.353   4.353
  393    H    LYS  59           H        LYS  59  -4.981   0.698   0.698
  394    HA   LYS  59           HA       LYS  59  -7.131  -0.949  -0.949
  395   1HB   LYS  59          2HB       LYS  59  -4.311  -1.443  -1.443
  396   2HB   LYS  59          1HB       LYS  59  -5.314  -2.699  -2.699
  397   1HG   LYS  59          2HG       LYS  59  -4.492  -0.096  -0.096
  398   2HG   LYS  59          1HG       LYS  59  -3.852  -1.696  -1.696
  399   1HD   LYS  59          2HD       LYS  59  -6.677  -1.905  -1.905
  400   2HD   LYS  59          1HD       LYS  59  -6.241  -0.437  -0.437
  401   1HE   LYS  59          2HE       LYS  59  -4.310  -2.278  -2.278
  402   2HE   LYS  59          1HE       LYS  59  -5.812  -3.223  -3.223
  403   1HZ   LYS  59          2HZ       LYS  59  -5.770  -0.495  -0.495
  404   2HZ   LYS  59          1HZ       LYS  59  -5.349  -1.833  -1.833
  405   3HZ   LYS  59          3HZ       LYS  59  -6.896  -1.739  -1.739
  406    H    VAL  60           H        VAL  60  -5.238  -1.022  -1.022
  407    HA   VAL  60           HA       VAL  60  -6.360  -3.065  -3.065
  408    HB   VAL  60           HB       VAL  60  -6.088  -1.444  -1.444
  409   1HG1  VAL  60          1HG1      VAL  60  -4.277  -2.912  -2.912
  410   2HG1  VAL  60          3HG1      VAL  60  -3.823  -1.679  -1.679
  411   3HG1  VAL  60          2HG1      VAL  60  -3.651  -1.358  -1.358
  412   1HG2  VAL  60          1HG2      VAL  60  -6.645   0.585   0.585
  413   2HG2  VAL  60          3HG2      VAL  60  -5.112   0.723   0.723
  414   3HG2  VAL  60          2HG2      VAL  60  -5.127   0.374   0.374
  415    HA   PRO  61           HA       PRO  61 -10.687  -2.278  -2.278
  416   1HB   PRO  61          2HB       PRO  61 -11.116  -3.711  -3.711
  417   2HB   PRO  61          1HB       PRO  61 -10.874  -4.468  -4.468
  418   1HG   PRO  61          2HG       PRO  61  -8.926  -4.076  -4.076
  419   2HG   PRO  61          1HG       PRO  61  -9.165  -5.484  -5.484
  420   1HD   PRO  61          2HD       PRO  61  -7.146  -3.724  -3.724
  421   2HD   PRO  61          1HD       PRO  61  -7.945  -4.571  -4.571
  422    H    ALA  62           H        ALA  62 -12.206  -1.505  -1.505
  423    HA   ALA  62           HA       ALA  62 -11.160   0.857   0.857
  424   1HB   ALA  62          2HB       ALA  62 -13.467  -0.049  -0.049
  425   2HB   ALA  62          1HB       ALA  62 -13.932   0.048   0.048
  426   3HB   ALA  62          3HB       ALA  62 -13.308   1.479   1.479
  427    H    ALA  63           H        ALA  63 -10.784   1.060   1.060
  428    HA   ALA  63           HA       ALA  63 -10.626  -1.239  -1.239
  429   1HB   ALA  63          2HB       ALA  63 -10.441   1.759   1.759
  430   2HB   ALA  63          1HB       ALA  63 -10.219   0.650   0.650
  431   3HB   ALA  63          3HB       ALA  63  -9.124   0.581   0.581
  432    H    ASN  64           H        ASN  64 -11.690  -1.004  -1.004
  433    HA   ASN  64           HA       ASN  64 -14.629  -0.741  -0.741
  434   1HB   ASN  64          2HB       ASN  64 -14.734  -2.130  -2.130
  435   2HB   ASN  64          1HB       ASN  64 -13.638  -2.853  -2.853
  436   1HD2  ASN  64          2HD2      ASN  64 -11.681  -2.981  -2.981
  437   2HD2  ASN  64          1HD2      ASN  64 -12.950  -3.817  -3.817
  438    H    GLU  65           H        GLU  65 -15.252  -0.506  -0.506
  439    HA   GLU  65           HA       GLU  65 -15.030   2.388   2.388
  440   1HB   GLU  65          2HB       GLU  65 -16.687   2.012   2.012
  441   2HB   GLU  65          1HB       GLU  65 -16.992   0.757   0.757
  442   1HG   GLU  65          2HG       GLU  65 -17.022  -0.470  -0.470
  443   2HG   GLU  65          1HG       GLU  65 -15.350  -0.671  -0.671
  444    H    ARG  66           H        ARG  66 -13.554  -0.503  -0.503
  445    HA   ARG  66           HA       ARG  66 -12.430   0.749   0.749
  446   1HB   ARG  66          2HB       ARG  66 -12.425  -1.771  -1.771
  447   2HB   ARG  66          1HB       ARG  66 -10.747  -1.329  -1.329
  448   1HG   ARG  66          2HG       ARG  66 -11.541  -0.751  -0.751
  449   2HG   ARG  66          1HG       ARG  66 -13.008  -1.645  -1.645
  450   1HD   ARG  66          2HD       ARG  66 -10.163  -2.710  -2.710
  451   2HD   ARG  66          1HD       ARG  66 -11.507  -3.224  -3.224
  452    HE   ARG  66           HE       ARG  66 -11.579  -3.562  -3.562
  453   1HH1  ARG  66          1HH2      ARG  66 -13.541  -4.046  -4.046
  454   2HH1  ARG  66          2HH2      ARG  66 -13.694  -5.764  -5.764
  455   1HH2  ARG  66          1HH1      ARG  66 -11.167  -6.028  -6.028
  456   2HH2  ARG  66          2HH1      ARG  66 -12.350  -6.886  -6.886
  457    H    GLU  67           H        GLU  67 -11.293   0.366   0.366
  458    HA   GLU  67           HA       GLU  67  -8.638   1.419   1.419
  459   1HB   GLU  67          2HB       GLU  67  -9.068   0.164   0.164
  460   2HB   GLU  67          1HB       GLU  67 -10.625   0.938   0.938
  461   1HG   GLU  67          2HG       GLU  67  -8.215   2.682   2.682
  462   2HG   GLU  67          1HG       GLU  67  -8.474   1.564   1.564
  463    H    ILE  68           H        ILE  68 -11.698   2.907   2.907
  464    HA   ILE  68           HA       ILE  68 -10.821   5.515   5.515
  465    HB   ILE  68           HB       ILE  68 -13.303   4.095   4.095
  466   1HG1  ILE  68          2HG1      ILE  68 -14.140   5.285   5.285
  467   2HG1  ILE  68          1HG1      ILE  68 -12.871   6.504   6.504
  468   1HG2  ILE  68          2HG2      ILE  68 -13.309   5.909   5.909
  469   2HG2  ILE  68          1HG2      ILE  68 -13.248   7.093   7.093
  470   3HG2  ILE  68          3HG2      ILE  68 -14.639   6.019   6.019
  471   1HD1  ILE  68          3HD1      ILE  68 -11.751   3.826   3.826
  472   2HD1  ILE  68          2HD1      ILE  68 -12.792   4.182   4.182
  473   3HD1  ILE  68          1HD1      ILE  68 -11.432   5.241   5.241
  474    H    GLY  69           H        GLY  69 -11.514   4.022   4.022
  475   1HA   GLY  69          2HA       GLY  69 -11.244   6.537   6.537
  476   2HA   GLY  69          1HA       GLY  69 -11.353   4.953   4.953
  477    H    MET  70           H        MET  70  -9.206   3.586   3.586
  478    HA   MET  70           HA       MET  70  -7.049   4.741   4.741
  479   1HB   MET  70          2HB       MET  70  -6.311   2.608   2.608
  480   2HB   MET  70          1HB       MET  70  -7.583   2.414   2.414
  481   1HG   MET  70          2HG       MET  70  -5.278   4.026   4.026
  482   2HG   MET  70          1HG       MET  70  -4.902   2.381   2.381
  483   1HE   MET  70          3HE       MET  70  -7.006   0.835   0.835
  484   2HE   MET  70          2HE       MET  70  -8.292   1.068   1.068
  485   3HE   MET  70          1HE       MET  70  -6.855   0.139   0.139
  486    H    LEU  71           H        LEU  71  -7.652   4.542   4.542
  487    HA   LEU  71           HA       LEU  71  -5.352   5.799   5.799
  488   1HB   LEU  71          2HB       LEU  71  -7.291   4.420   4.420
  489   2HB   LEU  71          1HB       LEU  71  -8.109   5.975   5.975
  490    HG   LEU  71           HG       LEU  71  -5.824   4.832   4.832
  491   1HD1  LEU  71          3HD1      LEU  71  -8.348   6.046   6.046
  492   2HD1  LEU  71          2HD1      LEU  71  -7.125   7.096   7.096
  493   3HD1  LEU  71          1HD1      LEU  71  -7.222   5.398   5.398
  494   1HD2  LEU  71          2HD2      LEU  71  -5.885   7.777   7.777
  495   2HD2  LEU  71          1HD2      LEU  71  -4.607   6.634   6.634
  496   3HD2  LEU  71          3HD2      LEU  71  -4.886   7.080   7.080
  497    H    GLU  72           H        GLU  72  -8.363   7.103   7.103
  498    HA   GLU  72           HA       GLU  72  -7.827   9.871   9.871
  499   1HB   GLU  72          2HB       GLU  72 -10.095   9.530   9.530
  500   2HB   GLU  72          1HB       GLU  72  -9.915   8.258   8.258
  501   1HG   GLU  72          2HG       GLU  72 -10.067   9.711   9.711
  502   2HG   GLU  72          1HG       GLU  72  -9.172  10.984  10.984
  503    H    CYS  73           H        CYS  73  -7.596   7.912   7.912
  504    HA   CYS  73           HA       CYS  73  -7.003   9.882   9.882
  505   1HB   CYS  73          2HB       CYS  73  -6.315   7.035   7.035
  506   2HB   CYS  73          1HB       CYS  73  -5.288   7.869   7.869
  507    HG   CYS  73           HG       CYS  73  -7.373   6.931   6.931
  508    H    VAL  74           H        VAL  74  -4.859   8.385   8.385
  509    HA   VAL  74           HA       VAL  74  -2.632  10.185  10.185
  510    HB   VAL  74           HB       VAL  74  -1.540   8.854   8.854
  511   1HG1  VAL  74          2HG1      VAL  74  -2.022   8.265   8.265
  512   2HG1  VAL  74          1HG1      VAL  74  -2.096   6.748   6.748
  513   3HG1  VAL  74          3HG1      VAL  74  -0.657   7.762   7.762
  514   1HG2  VAL  74          1HG2      VAL  74  -3.802   8.080   8.080
  515   2HG2  VAL  74          3HG2      VAL  74  -2.609   6.803   6.803
  516   3HG2  VAL  74          2HG2      VAL  74  -3.894   7.021   7.021
  517    H    THR  75           H        THR  75  -4.266  11.966  11.966
  518    HA   THR  75           HA       THR  75  -5.158  12.532  12.532
  519    HB   THR  75           HB       THR  75  -5.550  13.871  13.871
  520    HG1  THR  75          1HG       THR  75  -4.911  15.976  15.976
  521   1HG2  THR  75          3HG2      THR  75  -2.694  13.796  13.796
  522   2HG2  THR  75          2HG2      THR  75  -3.194  15.486  15.486
  523   3HG2  THR  75          1HG2      THR  75  -3.817  14.456  14.456
  524    H    ALA  76           H        ALA  76  -3.782  11.946  11.946
  525    HA   ALA  76           HA       ALA  76  -1.295  13.598  13.598
  526   1HB   ALA  76          3HB       ALA  76  -1.597  10.774  10.774
  527   2HB   ALA  76          2HB       ALA  76  -1.138  11.095  11.095
  528   3HB   ALA  76          1HB       ALA  76  -0.118  11.668  11.668
  529    H    GLU  77           H        GLU  77  -3.327  14.802  14.802
  530    HA   GLU  77           HA       GLU  77  -4.574  15.325  15.325
  531   1HB   GLU  77          2HB       GLU  77  -3.003  15.605  15.605
  532   2HB   GLU  77          1HB       GLU  77  -2.294  16.182  16.182
  533   1HG   GLU  77          2HG       GLU  77  -0.963  14.201  14.201
  534   2HG   GLU  77          1HG       GLU  77  -1.835  13.388  13.388
  535    H    LEU  78           H        LEU  78  -5.520  13.056  13.056
  536    HA   LEU  78           HA       LEU  78  -5.155  10.673  10.673
  537   1HB   LEU  78          2HB       LEU  78  -7.104  12.089  12.089
  538   2HB   LEU  78          1HB       LEU  78  -7.933  11.360  11.360
  539    HG   LEU  78           HG       LEU  78  -6.676   9.200   9.200
  540   1HD1  LEU  78          1HD1      LEU  78  -5.591  10.992  10.992
  541   2HD1  LEU  78          3HD1      LEU  78  -6.456   9.690   9.690
  542   3HD1  LEU  78          2HD1      LEU  78  -5.159   9.311   9.311
  543   1HD2  LEU  78          3HD2      LEU  78  -8.744  10.395  10.395
  544   2HD2  LEU  78          2HD2      LEU  78  -9.034   9.378   9.378
  545   3HD2  LEU  78          1HD2      LEU  78  -8.280   8.695   8.695
  546    H    LYS  79           H        LYS  79  -5.397   9.963   9.963
  547    HA   LYS  79           HA       LYS  79  -6.835  11.719  11.719
  548   1HB   LYS  79          2HB       LYS  79  -4.915  10.111  10.111
  549   2HB   LYS  79          1HB       LYS  79  -4.898  11.855  11.855
  550   1HG   LYS  79          2HG       LYS  79  -3.894  11.044  11.044
  551   2HG   LYS  79          1HG       LYS  79  -3.306   9.788   9.788
  552   1HD   LYS  79          2HD       LYS  79  -1.653  11.172  11.172
  553   2HD   LYS  79          1HD       LYS  79  -2.840  12.120  12.120
  554   1HE   LYS  79          2HE       LYS  79  -3.304  13.475  13.475
  555   2HE   LYS  79          1HE       LYS  79  -2.177  12.480  12.480
  556   1HZ   LYS  79          2HZ       LYS  79  -1.217  13.584  13.584
  557   2HZ   LYS  79          1HZ       LYS  79  -1.379  14.665  14.665
  558   3HZ   LYS  79          3HZ       LYS  79  -0.374  13.307  13.307
  559    HA   PRO  80           HA       PRO  80  -8.998   8.087   8.087
  560   1HB   PRO  80          2HB       PRO  80  -8.370   7.578   7.578
  561   2HB   PRO  80          1HB       PRO  80  -9.459   8.887   8.887
  562   1HG   PRO  80          2HG       PRO  80  -6.571   8.991   8.991
  563   2HG   PRO  80          1HG       PRO  80  -7.881  10.109  10.109
  564   1HD   PRO  80          2HD       PRO  80  -6.104  10.660  10.660
  565   2HD   PRO  80          1HD       PRO  80  -7.798  11.181  11.181
  566    H    ASN  81           H        ASN  81  -5.554   8.000   8.000
  567    HA   ASN  81           HA       ASN  81  -5.564   5.032   5.032
  568   1HB   ASN  81          2HB       ASN  81  -3.190   5.418   5.418
  569   2HB   ASN  81          1HB       ASN  81  -4.320   6.285   6.285
  570   1HD2  ASN  81          2HD2      ASN  81  -1.546   8.557   8.557
  571   2HD2  ASN  81          1HD2      ASN  81  -1.560   7.046   7.046
  572    H    SER  82           H        SER  82  -5.003   7.492   7.492
  573    HA   SER  82           HA       SER  82  -2.895   6.425   6.425
  574   1HB   SER  82          2HB       SER  82  -5.459   7.460   7.460
  575   2HB   SER  82          1HB       SER  82  -3.823   7.773   7.773
  576    HG   SER  82           HG       SER  82  -3.884   8.635   8.635
  577    H    ARG  83           H        ARG  83  -2.937   4.855   4.855
  578    HA   ARG  83           HA       ARG  83  -5.360   3.500   3.500
  579   1HB   ARG  83          2HB       ARG  83  -4.144   2.772   2.772
  580   2HB   ARG  83          1HB       ARG  83  -4.018   1.401   1.401
  581   1HG   ARG  83          2HG       ARG  83  -6.199   0.945   0.945
  582   2HG   ARG  83          1HG       ARG  83  -6.625   2.537   2.537
  583   1HD   ARG  83          2HD       ARG  83  -7.511   2.730   2.730
  584   2HD   ARG  83          1HD       ARG  83  -5.857   3.239   3.239
  585    HE   ARG  83           HE       ARG  83  -6.005   0.380   0.380
  586   1HH1  ARG  83          1HH2      ARG  83  -5.183   2.799   2.799
  587   2HH1  ARG  83          2HH2      ARG  83  -5.991   2.238   2.238
  588   1HH2  ARG  83          1HH1      ARG  83  -7.832  -0.178  -0.178
  589   2HH2  ARG  83          2HH1      ARG  83  -7.492   0.553   0.553
  590    H    LEU  84           H        LEU  84  -4.887   1.578   1.578
  591    HA   LEU  84           HA       LEU  84  -2.424   1.932   1.932
  592   1HB   LEU  84          2HB       LEU  84  -5.084   0.943   0.943
  593   2HB   LEU  84          1HB       LEU  84  -3.987  -0.409  -0.409
  594    HG   LEU  84           HG       LEU  84  -4.024   2.232   2.232
  595   1HD1  LEU  84          1HD1      LEU  84  -5.207  -0.326  -0.326
  596   2HD1  LEU  84          3HD1      LEU  84  -3.896  -0.185  -0.185
  597   3HD1  LEU  84          2HD1      LEU  84  -5.175   1.001   1.001
  598   1HD2  LEU  84          2HD2      LEU  84  -1.753   0.865   0.865
  599   2HD2  LEU  84          1HD2      LEU  84  -1.923   1.848   1.848
  600   3HD2  LEU  84          3HD2      LEU  84  -2.180   0.105   0.105
  601    H    SER  85           H        SER  85  -0.706   0.412   0.412
  602    HA   SER  85           HA       SER  85   0.186  -1.128  -1.128
  603   1HB   SER  85          2HB       SER  85   1.403  -2.349  -2.349
  604   2HB   SER  85          1HB       SER  85   1.183  -0.728  -0.728
  605    HG   SER  85           HG       SER  85   0.632  -2.489  -2.489
  606    H    CYS  86           H        CYS  86  -2.232  -1.785  -1.785
  607    HA   CYS  86           HA       CYS  86  -2.923  -4.526  -4.526
  608   1HB   CYS  86          2HB       CYS  86  -4.691  -3.933  -3.933
  609   2HB   CYS  86          1HB       CYS  86  -3.052  -4.500  -4.500
  610    H    GLN  87           H        GLN  87  -3.552  -2.585  -2.585
  611    HA   GLN  87           HA       GLN  87  -6.531  -2.460  -2.460
  612   1HB   GLN  87          2HB       GLN  87  -4.714  -0.389  -0.389
  613   2HB   GLN  87          1HB       GLN  87  -5.307  -0.462  -0.462
  614   1HG   GLN  87          2HG       GLN  87  -6.890   0.908   0.908
  615   2HG   GLN  87          1HG       GLN  87  -7.654  -0.665  -0.665
  616   1HE2  GLN  87          2HE2      GLN  87  -6.461  -0.732  -0.732
  617   2HE2  GLN  87          1HE2      GLN  87  -6.331  -1.731  -1.731
  618    H    ILE  88           H        ILE  88  -3.904  -2.543  -2.543
  619    HA   ILE  88           HA       ILE  88  -5.863  -3.371  -3.371
  620    HB   ILE  88           HB       ILE  88  -3.065  -2.918  -2.918
  621   1HG1  ILE  88          2HG1      ILE  88  -4.663  -0.728  -0.728
  622   2HG1  ILE  88          1HG1      ILE  88  -3.054  -1.297  -1.297
  623   1HG2  ILE  88          2HG2      ILE  88  -5.836  -2.165  -2.165
  624   2HG2  ILE  88          1HG2      ILE  88  -4.494  -1.201  -1.201
  625   3HG2  ILE  88          3HG2      ILE  88  -4.556  -2.931  -2.931
  626   1HD1  ILE  88          3HD1      ILE  88  -2.369  -0.579  -0.579
  627   2HD1  ILE  88          2HD1      ILE  88  -3.879   0.334   0.334
  628   3HD1  ILE  88          1HD1      ILE  88  -2.640   0.693   0.693
  629    H    ILE  89           H        ILE  89  -5.489  -5.141  -5.141
  630    HA   ILE  89           HA       ILE  89  -3.797  -7.298  -7.298
  631    HB   ILE  89           HB       ILE  89  -6.286  -7.173  -7.173
  632   1HG1  ILE  89          2HG1      ILE  89  -6.742  -7.036  -7.036
  633   2HG1  ILE  89          1HG1      ILE  89  -7.110  -8.691  -8.691
  634   1HG2  ILE  89          1HG2      ILE  89  -4.725  -8.888  -8.888
  635   2HG2  ILE  89          3HG2      ILE  89  -4.673  -9.642  -9.642
  636   3HG2  ILE  89          2HG2      ILE  89  -6.185  -9.601  -9.601
  637   1HD1  ILE  89          3HD1      ILE  89  -4.713  -9.270  -9.270
  638   2HD1  ILE  89          2HD1      ILE  89  -4.665  -7.684  -7.684
  639   3HD1  ILE  89          1HD1      ILE  89  -5.833  -8.891  -8.891
  640    H    MET  90           H        MET  90  -2.743  -8.719  -8.719
  641    HA   MET  90           HA       MET  90  -1.845  -7.006  -7.006
  642   1HB   MET  90          2HB       MET  90  -0.414  -8.174  -8.174
  643   2HB   MET  90          1HB       MET  90  -0.361  -9.454  -9.454
  644   1HG   MET  90          2HG       MET  90   1.547  -7.901  -7.901
  645   2HG   MET  90          1HG       MET  90   0.493  -7.859  -7.859
  646   1HE   MET  90          2HE       MET  90   0.674  -6.141  -6.141
  647   2HE   MET  90          1HE       MET  90  -0.879  -5.377  -5.377
  648   3HE   MET  90          3HE       MET  90   0.613  -4.433  -4.433
  649    H    THR  91           H        THR  91  -2.767  -7.588  -7.588
  650    HA   THR  91           HA       THR  91  -3.763 -10.369 -10.369
  651    HB   THR  91           HB       THR  91  -5.065  -9.416  -9.416
  652    HG1  THR  91          1HG       THR  91  -4.541  -7.325  -7.325
  653   1HG2  THR  91          2HG2      THR  91  -4.666  -7.288  -7.288
  654   2HG2  THR  91          1HG2      THR  91  -6.037  -7.369  -7.369
  655   3HG2  THR  91          3HG2      THR  91  -5.790  -8.644  -8.644
  656    HA   PRO  92           HA       PRO  92  -0.491 -11.509 -11.509
  657   1HB   PRO  92          2HB       PRO  92  -1.783 -12.938 -12.938
  658   2HB   PRO  92          1HB       PRO  92  -1.533 -13.546 -13.546
  659   1HG   PRO  92          2HG       PRO  92  -3.971 -12.393 -12.393
  660   2HG   PRO  92          1HG       PRO  92  -3.810 -13.688 -13.688
  661   1HD   PRO  92          2HD       PRO  92  -4.546 -11.107 -11.107
  662   2HD   PRO  92          1HD       PRO  92  -3.813 -12.237 -12.237
  663    H    GLU  93           H        GLU  93  -2.784  -9.274  -9.274
  664    HA   GLU  93           HA       GLU  93  -1.507  -8.816  -8.816
  665   1HB   GLU  93          2HB       GLU  93  -3.660  -8.625  -8.625
  666   2HB   GLU  93          1HB       GLU  93  -4.204  -8.895  -8.895
  667   1HG   GLU  93          2HG       GLU  93  -4.120  -6.528  -6.528
  668   2HG   GLU  93          1HG       GLU  93  -3.336  -6.188  -6.188
  669    H    LEU  94           H        LEU  94  -2.808  -7.048  -7.048
  670    HA   LEU  94           HA       LEU  94  -1.589  -4.519  -4.519
  671   1HB   LEU  94          2HB       LEU  94  -3.180  -5.830  -5.830
  672   2HB   LEU  94          1HB       LEU  94  -1.901  -4.909  -4.909
  673    HG   LEU  94           HG       LEU  94  -3.910  -3.889  -3.889
  674   1HD1  LEU  94          1HD1      LEU  94  -3.881  -4.082  -4.082
  675   2HD1  LEU  94          3HD1      LEU  94  -3.619  -2.382  -2.382
  676   3HD1  LEU  94          2HD1      LEU  94  -5.048  -3.216  -3.216
  677   1HD2  LEU  94          2HD2      LEU  94  -1.236  -3.070  -3.070
  678   2HD2  LEU  94          1HD2      LEU  94  -2.525  -2.163  -2.163
  679   3HD2  LEU  94          3HD2      LEU  94  -2.185  -1.894  -1.894
  680    H    ASP  95           H        ASP  95   0.550  -6.105  -6.105
  681    HA   ASP  95           HA       ASP  95   2.151  -6.267  -6.267
  682   1HB   ASP  95          2HB       ASP  95   3.613  -7.634  -7.634
  683   2HB   ASP  95          1HB       ASP  95   1.997  -8.275  -8.275
  684    H    GLY  96           H        GLY  96   4.073  -5.192  -5.192
  685   1HA   GLY  96          2HA       GLY  96   5.995  -3.907  -3.907
  686   2HA   GLY  96          1HA       GLY  96   4.991  -3.379  -3.379
  687    H    ILE  97           H        ILE  97   3.578  -3.529  -3.529
  688    HA   ILE  97           HA       ILE  97   2.898  -0.727  -0.727
  689    HB   ILE  97           HB       ILE  97   1.389  -2.478  -2.478
  690   1HG1  ILE  97          2HG1      ILE  97   1.604   0.004   0.004
  691   2HG1  ILE  97          1HG1      ILE  97   0.406  -1.135  -1.135
  692   1HG2  ILE  97          3HG2      ILE  97   3.626  -2.897  -2.897
  693   2HG2  ILE  97          2HG2      ILE  97   1.972  -3.298  -3.298
  694   3HG2  ILE  97          1HG2      ILE  97   2.714  -4.091  -4.091
  695   1HD1  ILE  97          2HD1      ILE  97   3.089  -1.253  -1.253
  696   2HD1  ILE  97          1HD1      ILE  97   2.134   0.192   0.192
  697   3HD1  ILE  97          3HD1      ILE  97   1.489  -1.400  -1.400
  698    H    VAL  98           H        VAL  98   3.397   0.904   0.904
  699    HA   VAL  98           HA       VAL  98   5.909   0.526   0.526
  700    HB   VAL  98           HB       VAL  98   4.744   3.024   3.024
  701   1HG1  VAL  98          3HG1      VAL  98   6.526   2.955   2.955
  702   2HG1  VAL  98          2HG1      VAL  98   7.637   2.647   2.647
  703   3HG1  VAL  98          1HG1      VAL  98   6.666   4.118   4.118
  704   1HG2  VAL  98          3HG2      VAL  98   5.371   1.208   1.208
  705   2HG2  VAL  98          2HG2      VAL  98   6.318   2.686   2.686
  706   3HG2  VAL  98          1HG2      VAL  98   7.015   1.279   1.279
  707    H    VAL  99           H        VAL  99   5.535   0.715   0.715
  708    HA   VAL  99           HA       VAL  99   2.993   2.040   2.040
  709    HB   VAL  99           HB       VAL  99   4.820   0.660   0.660
  710   1HG1  VAL  99          1HG1      VAL  99   1.916   1.156   1.156
  711   2HG1  VAL  99          3HG1      VAL  99   2.370  -0.347  -0.347
  712   3HG1  VAL  99          2HG1      VAL  99   2.915   1.210   1.210
  713   1HG2  VAL  99          1HG2      VAL  99   3.747  -0.587  -0.587
  714   2HG2  VAL  99          3HG2      VAL  99   4.998  -1.130  -1.130
  715   3HG2  VAL  99          2HG2      VAL  99   3.302  -1.409  -1.409
  716    H    ASP 100           H        ASP 100   3.316   3.022   3.022
  717    HA   ASP 100           HA       ASP 100   5.917   4.162   4.162
  718   1HB   ASP 100          2HB       ASP 100   3.745   5.718   5.718
  719   2HB   ASP 100          1HB       ASP 100   4.845   6.554   6.554
  720    H    VAL 101           H        VAL 101   6.018   4.978   4.978
  721    HA   VAL 101           HA       VAL 101   3.508   4.593   4.593
  722    HB   VAL 101           HB       VAL 101   6.434   4.961   4.961
  723   1HG1  VAL 101          1HG1      VAL 101   4.741   6.015   6.015
  724   2HG1  VAL 101          3HG1      VAL 101   4.190   4.369   4.369
  725   3HG1  VAL 101          2HG1      VAL 101   5.853   4.826   4.826
  726   1HG2  VAL 101          2HG2      VAL 101   5.362   2.731   2.731
  727   2HG2  VAL 101          1HG2      VAL 101   6.427   2.665   2.665
  728   3HG2  VAL 101          3HG2      VAL 101   4.677   2.612   2.612
  729    HA   PRO 102           HA       PRO 102   2.995   8.936   8.936
  730   1HB   PRO 102          2HB       PRO 102   0.866   9.172   9.172
  731   2HB   PRO 102          1HB       PRO 102   0.778   8.596   8.596
  732   1HG   PRO 102          2HG       PRO 102   0.606   7.099   7.099
  733   2HG   PRO 102          1HG       PRO 102  -0.048   6.717   6.717
  734   1HD   PRO 102          2HD       PRO 102   2.247   5.601   5.601
  735   2HD   PRO 102          1HD       PRO 102   1.718   5.424   5.424
  736    H    ASP 103           H        ASP 103   3.881  10.670  10.670
  737    HA   ASP 103           HA       ASP 103   4.468  10.276  10.276
  738   1HB   ASP 103          2HB       ASP 103   6.484  10.517  10.517
  739   2HB   ASP 103          1HB       ASP 103   5.808  11.736  11.736
  740    H    ARG 104           H        ARG 104   2.726  11.247  11.247
  741    HA   ARG 104           HA       ARG 104   1.939  13.980  13.980
  742   1HB   ARG 104          2HB       ARG 104   0.146  12.776  12.776
  743   2HB   ARG 104          1HB       ARG 104  -0.212  13.369  13.369
  744   1HG   ARG 104          2HG       ARG 104  -0.652  11.191  11.191
  745   2HG   ARG 104          1HG       ARG 104   1.092  11.017  11.017
  746   1HD   ARG 104          2HD       ARG 104  -0.698  10.373  10.373
  747   2HD   ARG 104          1HD       ARG 104   0.458   9.311   9.311
  748    HE   ARG 104           HE       ARG 104   1.562  11.741  11.741
  749   1HH1  ARG 104          1HH2      ARG 104   3.135   9.287   9.287
  750   2HH1  ARG 104          2HH2      ARG 104   3.443   8.527   8.527
  751   1HH2  ARG 104          1HH1      ARG 104   1.038  10.358  10.358
  752   2HH2  ARG 104          2HH1      ARG 104   2.255   9.133   9.133
  753    H    GLN 105           H        GLN 105   4.218  13.172  13.172
  754    HA   GLN 105           HA       GLN 105   3.355  14.732  14.732
  755   1HB   GLN 105          2HB       GLN 105   4.263  12.134  12.134
  756   2HB   GLN 105          1HB       GLN 105   5.744  13.017  13.017
  757   1HG   GLN 105          2HG       GLN 105   4.198  14.205  14.205
  758   2HG   GLN 105          1HG       GLN 105   3.251  12.725  12.725
  759   1HE2  GLN 105          2HE2      GLN 105   6.605  10.991  10.991
  760   2HE2  GLN 105          1HE2      GLN 105   5.869  11.235  11.235
  761    H    TRP 106           H        TRP 106   5.992  15.071  15.071
  762    HA   TRP 106           HA       TRP 106   7.414  16.587  16.587
  763   1HB   TRP 106          2HB       TRP 106   5.761  17.651  17.651
  764   2HB   TRP 106          1HB       TRP 106   7.424  18.021  18.021
  765    HD1  TRP 106           HD       TRP 106   5.175  20.107  20.107
  766    HE1  TRP 106          1HE       TRP 106   5.859  21.533  21.533
  767    HE3  TRP 106          3HE       TRP 106   9.082  17.322  17.322
  768    HZ2  TRP 106          2HZ       TRP 106   7.809  21.495  21.495
  769    HZ3  TRP 106          3HZ       TRP 106  10.336  18.038  18.038
  770    HH2  TRP 106           HH       TRP 106   9.703  20.119  20.119

  Start of MODEL   15
    1   1H    SER   1          1HT       SER   1   3.097 -11.431 -11.431
    2   2H    SER   1          3HT       SER   1   2.063 -10.402 -10.402
    3   3H    SER   1          2HT       SER   1   1.494 -11.208 -11.208
    4    HA   SER   1           HA       SER   1   2.874  -9.914  -9.914
    5   1HB   SER   1          2HB       SER   1   1.924  -7.772  -7.772
    6   2HB   SER   1          1HB       SER   1   1.396  -8.180  -8.180
    7    HG   SER   1           HG       SER   1  -0.289  -8.636  -8.636
    8    H    LYS   2           H        LYS   2   4.563  -8.318  -8.318
    9    HA   LYS   2           HA       LYS   2   6.680  -8.448  -8.448
   10   1HB   LYS   2          2HB       LYS   2   6.610  -8.061  -8.061
   11   2HB   LYS   2          1HB       LYS   2   6.507  -6.364  -6.364
   12   1HG   LYS   2          2HG       LYS   2   8.842  -6.856  -6.856
   13   2HG   LYS   2          1HG       LYS   2   8.536  -6.778  -6.778
   14   1HD   LYS   2          2HD       LYS   2   9.358  -8.862  -8.862
   15   2HD   LYS   2          1HD       LYS   2   8.012  -9.448  -9.448
   16   1HE   LYS   2          2HE       LYS   2   9.292  -9.593  -9.593
   17   2HE   LYS   2          1HE       LYS   2  10.287  -8.191  -8.191
   18   1HZ   LYS   2          3HZ       LYS   2  10.386 -10.570 -10.570
   19   2HZ   LYS   2          2HZ       LYS   2  11.224 -10.616 -10.616
   20   3HZ   LYS   2          1HZ       LYS   2  11.595  -9.425  -9.425
   21    H    VAL   3           H        VAL   3   6.725  -7.155  -7.155
   22    HA   VAL   3           HA       VAL   3   5.222  -4.573  -4.573
   23    HB   VAL   3           HB       VAL   3   5.431  -6.688  -6.688
   24   1HG1  VAL   3          1HG1      VAL   3   4.699  -3.781  -3.781
   25   2HG1  VAL   3          3HG1      VAL   3   3.962  -4.976  -4.976
   26   3HG1  VAL   3          2HG1      VAL   3   5.712  -4.753  -4.753
   27   1HG2  VAL   3          1HG2      VAL   3   3.352  -5.509  -5.509
   28   2HG2  VAL   3          3HG2      VAL   3   3.574  -7.184  -7.184
   29   3HG2  VAL   3          2HG2      VAL   3   2.849  -6.018  -6.018
   30    H    VAL   4           H        VAL   4   6.120  -2.771  -2.771
   31    HA   VAL   4           HA       VAL   4   8.783  -3.022  -3.022
   32    HB   VAL   4           HB       VAL   4   7.913  -1.347  -1.347
   33   1HG1  VAL   4          1HG1      VAL   4   9.922  -0.708  -0.708
   34   2HG1  VAL   4          3HG1      VAL   4  10.336  -0.327  -0.327
   35   3HG1  VAL   4          2HG1      VAL   4   8.898   0.382   0.382
   36   1HG2  VAL   4          3HG2      VAL   4   9.437  -3.670  -3.670
   37   2HG2  VAL   4          2HG2      VAL   4   9.351  -2.651  -2.651
   38   3HG2  VAL   4          1HG2      VAL   4  10.626  -2.391  -2.391
   39    H    TYR   5           H        TYR   5   8.717  -2.048  -2.048
   40    HA   TYR   5           HA       TYR   5   6.514  -0.137  -0.137
   41   1HB   TYR   5          2HB       TYR   5   8.445  -1.683  -1.683
   42   2HB   TYR   5          1HB       TYR   5   7.069  -0.743  -0.743
   43    HD1  TYR   5          2HD       TYR   5   4.778  -1.281  -1.281
   44    HD2  TYR   5          1HD       TYR   5   8.130  -3.992  -3.992
   45    HE1  TYR   5          2HE       TYR   5   3.260  -3.205  -3.205
   46    HE2  TYR   5          1HE       TYR   5   6.618  -5.827  -5.827
   47    HH   TYR   5           HH       TYR   5   4.162  -6.376  -6.376
   48    H    VAL   6           H        VAL   6   6.922   1.936   1.936
   49    HA   VAL   6           HA       VAL   6   9.832   2.721   2.721
   50    HB   VAL   6           HB       VAL   6   7.590   4.574   4.574
   51   1HG1  VAL   6          1HG1      VAL   6  10.129   5.140   5.140
   52   2HG1  VAL   6          3HG1      VAL   6  10.381   4.650   4.650
   53   3HG1  VAL   6          2HG1      VAL   6   9.288   5.982   5.982
   54   1HG2  VAL   6          3HG2      VAL   6   7.655   2.473   2.473
   55   2HG2  VAL   6          2HG2      VAL   6   7.882   3.992   3.992
   56   3HG2  VAL   6          1HG2      VAL   6   9.272   2.969   2.969
   57    H    SER   7           H        SER   7  10.360   4.203   4.203
   58    HA   SER   7           HA       SER   7   8.249   4.548   4.548
   59   1HB   SER   7          2HB       SER   7  10.474   4.950   4.950
   60   2HB   SER   7          1HB       SER   7   9.996   3.305   3.305
   61    HG   SER   7           HG       SER   7  11.404   3.370   3.370
   62    H    HIS   8           H        HIS   8   7.815   6.661   6.661
   63    HA   HIS   8           HA       HIS   8   8.221   8.842   8.842
   64   1HB   HIS   8          2HB       HIS   8   7.195   8.306   8.306
   65   2HB   HIS   8          1HB       HIS   8   8.333   9.639   9.639
   66    HD1  HIS   8          1HD       HIS   8   5.378   8.667   8.667
   67    HD2  HIS   8          2HD       HIS   8   7.365  12.098  12.098
   68    HE1  HIS   8          1HE       HIS   8   4.013  10.640  10.640
   69    H    ASP   9           H        ASP   9  10.582   7.354   7.354
   70    HA   ASP   9           HA       ASP   9  12.402   9.652   9.652
   71   1HB   ASP   9          2HB       ASP   9  13.744   8.267   8.267
   72   2HB   ASP   9          1HB       ASP   9  12.087   7.820   7.820
   73    H    GLY  10           H        GLY  10  11.576   7.263   7.263
   74   1HA   GLY  10          2HA       GLY  10  12.580   7.448   7.448
   75   2HA   GLY  10          1HA       GLY  10  14.133   7.720   7.720
   76    H    THR  11           H        THR  11  13.906   5.510   5.510
   77    HA   THR  11           HA       THR  11  15.097   3.446   3.446
   78    HB   THR  11           HB       THR  11  14.058   3.979   3.979
   79    HG1  THR  11          1HG       THR  11  15.635   2.131   2.131
   80   1HG2  THR  11          1HG2      THR  11  13.303   1.301   1.301
   81   2HG2  THR  11          3HG2      THR  11  13.753   1.432   1.432
   82   3HG2  THR  11          2HG2      THR  11  12.375   2.337   2.337
   83    H    ARG  12           H        ARG  12  14.335   1.601   1.601
   84    HA   ARG  12           HA       ARG  12  11.381   1.427   1.427
   85   1HB   ARG  12          2HB       ARG  12  13.664   1.071   1.071
   86   2HB   ARG  12          1HB       ARG  12  11.952   0.894   0.894
   87   1HG   ARG  12          2HG       ARG  12  11.649   3.278   3.278
   88   2HG   ARG  12          1HG       ARG  12  13.409   3.404   3.404
   89   1HD   ARG  12          2HD       ARG  12  12.716   2.300   2.300
   90   2HD   ARG  12          1HD       ARG  12  11.577   3.633   3.633
   91    HE   ARG  12           HE       ARG  12  13.831   4.851   4.851
   92   1HH1  ARG  12          1HH2      ARG  12  14.731   2.232   2.232
   93   2HH1  ARG  12          2HH2      ARG  12  15.350   3.064   3.064
   94   1HH2  ARG  12          1HH1      ARG  12  14.013   6.130   6.130
   95   2HH2  ARG  12          2HH1      ARG  12  14.944   5.271   5.271
   96    H    ARG  13           H        ARG  13  10.615  -0.757  -0.757
   97    HA   ARG  13           HA       ARG  13  12.515  -2.995  -2.995
   98   1HB   ARG  13          2HB       ARG  13  11.030  -2.085  -2.085
   99   2HB   ARG  13          1HB       ARG  13   9.728  -2.942  -2.942
  100   1HG   ARG  13          2HG       ARG  13  10.443  -4.900  -4.900
  101   2HG   ARG  13          1HG       ARG  13  12.029  -4.648  -4.648
  102   1HD   ARG  13          2HD       ARG  13  11.923  -4.909  -4.909
  103   2HD   ARG  13          1HD       ARG  13  12.871  -3.554  -3.554
  104    HE   ARG  13           HE       ARG  13  10.094  -2.813  -2.813
  105   1HH1  ARG  13          1HH2      ARG  13  12.559  -3.917  -3.917
  106   2HH1  ARG  13          2HH2      ARG  13  12.461  -2.578  -2.578
  107   1HH2  ARG  13          1HH1      ARG  13  10.188  -0.817  -0.817
  108   2HH2  ARG  13          2HH1      ARG  13  11.119  -0.823  -0.823
  109    H    GLU  14           H        GLU  14  12.326  -4.437  -4.437
  110    HA   GLU  14           HA       GLU  14   9.814  -4.411  -4.411
  111   1HB   GLU  14          2HB       GLU  14  12.447  -5.809  -5.809
  112   2HB   GLU  14          1HB       GLU  14  11.189  -5.411  -5.411
  113   1HG   GLU  14          2HG       GLU  14  12.220  -3.447  -3.447
  114   2HG   GLU  14          1HG       GLU  14  11.860  -2.985  -2.985
  115    H    LEU  15           H        LEU  15   8.322  -5.998  -5.998
  116    HA   LEU  15           HA       LEU  15   9.235  -8.517  -8.517
  117   1HB   LEU  15          2HB       LEU  15   6.753  -6.849  -6.849
  118   2HB   LEU  15          1HB       LEU  15   6.576  -8.579  -8.579
  119    HG   LEU  15           HG       LEU  15   8.222  -6.652  -6.652
  120   1HD1  LEU  15          1HD1      LEU  15   5.565  -7.829  -7.829
  121   2HD1  LEU  15          3HD1      LEU  15   6.570  -8.284  -8.284
  122   3HD1  LEU  15          2HD1      LEU  15   6.294  -6.583  -6.583
  123   1HD2  LEU  15          1HD2      LEU  15   9.336  -8.859  -8.859
  124   2HD2  LEU  15          3HD2      LEU  15   8.840  -8.523  -8.523
  125   3HD2  LEU  15          2HD2      LEU  15   7.869  -9.615  -9.615
  126    H    ASP  16           H        ASP  16   8.581 -10.501 -10.501
  127    HA   ASP  16           HA       ASP  16   7.594 -10.417 -10.417
  128   1HB   ASP  16          2HB       ASP  16   9.109 -12.381 -12.381
  129   2HB   ASP  16          1HB       ASP  16   8.349 -12.914 -12.914
  130    H    VAL  17           H        VAL  17   5.370 -10.059 -10.059
  131    HA   VAL  17           HA       VAL  17   4.075 -12.008 -12.008
  132    HB   VAL  17           HB       VAL  17   3.280  -9.407  -9.407
  133   1HG1  VAL  17          3HG1      VAL  17   1.684 -11.272 -11.272
  134   2HG1  VAL  17          2HG1      VAL  17   1.257  -9.576  -9.576
  135   3HG1  VAL  17          1HG1      VAL  17   1.257 -10.689 -10.689
  136   1HG2  VAL  17          2HG2      VAL  17   4.495 -10.201 -10.201
  137   2HG2  VAL  17          1HG2      VAL  17   4.387  -8.602  -8.602
  138   3HG2  VAL  17          3HG2      VAL  17   3.047  -9.221  -9.221
  139    H    ALA  18           H        ALA  18   1.816 -12.710 -12.710
  140    HA   ALA  18           HA       ALA  18   1.875 -13.442 -13.442
  141   1HB   ALA  18          3HB       ALA  18   2.413 -15.192 -15.192
  142   2HB   ALA  18          2HB       ALA  18   0.692 -15.114 -15.114
  143   3HB   ALA  18          1HB       ALA  18   1.220 -15.634 -15.634
  144    H    ASP  19           H        ASP  19  -0.758 -14.863 -14.863
  145    HA   ASP  19           HA       ASP  19  -2.479 -12.451 -12.451
  146   1HB   ASP  19          2HB       ASP  19  -3.280 -13.649 -13.649
  147   2HB   ASP  19          1HB       ASP  19  -2.196 -14.972 -14.972
  148    H    GLY  20           H        GLY  20  -3.685 -11.931 -11.931
  149   1HA   GLY  20          2HA       GLY  20  -5.439 -12.640 -12.640
  150   2HA   GLY  20          1HA       GLY  20  -4.521 -14.123 -14.123
  151    H    VAL  21           H        VAL  21  -2.197 -11.799 -11.799
  152    HA   VAL  21           HA       VAL  21  -2.158 -11.555 -11.555
  153    HB   VAL  21           HB       VAL  21  -0.036 -11.085 -11.085
  154   1HG1  VAL  21          1HG1      VAL  21   0.079 -11.182 -11.182
  155   2HG1  VAL  21          3HG1      VAL  21   1.504 -11.209 -11.209
  156   3HG1  VAL  21          2HG1      VAL  21   0.444  -9.799  -9.799
  157   1HG2  VAL  21          1HG2      VAL  21  -0.974 -13.489 -13.489
  158   2HG2  VAL  21          3HG2      VAL  21  -0.066 -13.367 -13.367
  159   3HG2  VAL  21          2HG2      VAL  21   0.774 -13.241 -13.241
  160    H    SER  22           H        SER  22  -1.186  -9.473  -9.473
  161    HA   SER  22           HA       SER  22  -2.165  -7.116  -7.116
  162   1HB   SER  22          2HB       SER  22  -2.070  -6.536  -6.536
  163   2HB   SER  22          1HB       SER  22  -3.510  -6.769  -6.769
  164    HG   SER  22           HG       SER  22  -3.768  -8.446  -8.446
  165    H    LEU  23           H        LEU  23  -0.907  -5.051  -5.051
  166    HA   LEU  23           HA       LEU  23   1.922  -5.387  -5.387
  167   1HB   LEU  23          2HB       LEU  23   0.148  -3.155  -3.155
  168   2HB   LEU  23          1HB       LEU  23   1.888  -2.989  -2.989
  169    HG   LEU  23           HG       LEU  23   1.890  -2.922  -2.922
  170   1HD1  LEU  23          1HD1      LEU  23   0.667  -5.121  -5.121
  171   2HD1  LEU  23          3HD1      LEU  23  -0.844  -4.218  -4.218
  172   3HD1  LEU  23          2HD1      LEU  23   0.257  -3.935  -3.935
  173   1HD2  LEU  23          1HD2      LEU  23  -0.770  -1.842  -1.842
  174   2HD2  LEU  23          3HD2      LEU  23   0.721  -0.950  -0.950
  175   3HD2  LEU  23          2HD2      LEU  23  -0.199  -1.622  -1.622
  176    H    MET  24           H        MET  24  -0.272  -5.201  -5.201
  177    HA   MET  24           HA       MET  24   1.678  -5.018  -5.018
  178   1HB   MET  24          2HB       MET  24  -0.492  -4.389  -4.389
  179   2HB   MET  24          1HB       MET  24  -1.202  -5.770  -5.770
  180   1HG   MET  24          2HG       MET  24  -1.010  -7.103  -7.103
  181   2HG   MET  24          1HG       MET  24   0.617  -6.520  -6.520
  182   1HE   MET  24          1HE       MET  24  -0.768  -7.304  -7.304
  183   2HE   MET  24          3HE       MET  24   0.456  -6.138  -6.138
  184   3HE   MET  24          2HE       MET  24  -1.190  -6.046  -6.046
  185    H    GLN  25           H        GLN  25  -0.378  -7.746  -7.746
  186    HA   GLN  25           HA       GLN  25   0.656  -9.772  -9.772
  187   1HB   GLN  25          2HB       GLN  25  -1.168  -9.759  -9.759
  188   2HB   GLN  25          1HB       GLN  25   0.034  -9.760  -9.760
  189   1HG   GLN  25          2HG       GLN  25   0.664 -11.970 -11.970
  190   2HG   GLN  25          1HG       GLN  25   0.108 -11.914 -11.914
  191   1HE2  GLN  25          2HE2      GLN  25  -3.219 -11.798 -11.798
  192   2HE2  GLN  25          1HE2      GLN  25  -2.160 -10.475 -10.475
  193    H    ALA  26           H        ALA  26   1.899  -9.640  -9.640
  194    HA   ALA  26           HA       ALA  26   4.149 -11.231 -11.231
  195   1HB   ALA  26          3HB       ALA  26   3.729  -8.707  -8.707
  196   2HB   ALA  26          2HB       ALA  26   5.241  -9.647  -9.647
  197   3HB   ALA  26          1HB       ALA  26   3.686 -10.393 -10.393
  198    H    ALA  27           H        ALA  27   4.148  -7.690  -7.690
  199    HA   ALA  27           HA       ALA  27   6.747  -7.277  -7.277
  200   1HB   ALA  27          2HB       ALA  27   4.046  -5.991  -5.991
  201   2HB   ALA  27          1HB       ALA  27   5.446  -5.282  -5.282
  202   3HB   ALA  27          3HB       ALA  27   5.414  -5.441  -5.441
  203    H    VAL  28           H        VAL  28   3.747  -7.449  -7.449
  204    HA   VAL  28           HA       VAL  28   4.359  -7.413  -7.413
  205    HB   VAL  28           HB       VAL  28   2.532  -8.735  -8.735
  206   1HG1  VAL  28          1HG1      VAL  28   3.369 -10.273 -10.273
  207   2HG1  VAL  28          3HG1      VAL  28   1.662 -10.258 -10.258
  208   3HG1  VAL  28          2HG1      VAL  28   2.856 -10.873 -10.873
  209   1HG2  VAL  28          2HG2      VAL  28   2.185  -6.758  -6.758
  210   2HG2  VAL  28          1HG2      VAL  28   0.887  -7.951  -7.951
  211   3HG2  VAL  28          3HG2      VAL  28   1.976  -7.966  -7.966
  212    H    SER  29           H        SER  29   4.498 -10.550 -10.550
  213    HA   SER  29           HA       SER  29   5.952 -11.979 -11.979
  214   1HB   SER  29          2HB       SER  29   5.345 -13.516 -13.516
  215   2HB   SER  29          1HB       SER  29   4.933 -12.229 -12.229
  216    HG   SER  29           HG       SER  29   6.981 -13.937 -13.937
  217    H    ASN  30           H        ASN  30   7.007 -10.330 -10.330
  218    HA   ASN  30           HA       ASN  30   9.811 -10.773 -10.773
  219   1HB   ASN  30          2HB       ASN  30   7.888  -9.017  -9.017
  220   2HB   ASN  30          1HB       ASN  30   9.495  -8.319  -8.319
  221   1HD2  ASN  30          2HD2      ASN  30   8.893 -11.265 -11.265
  222   2HD2  ASN  30          1HD2      ASN  30   7.621 -10.563 -10.563
  223    H    GLY  31           H        GLY  31   7.623  -9.034  -9.034
  224   1HA   GLY  31          2HA       GLY  31   8.165  -7.864  -7.864
  225   2HA   GLY  31          1HA       GLY  31   9.866  -7.878  -7.878
  226    H    ILE  32           H        ILE  32   8.547  -6.906  -6.906
  227    HA   ILE  32           HA       ILE  32   9.363  -4.276  -4.276
  228    HB   ILE  32           HB       ILE  32   7.054  -5.781  -5.781
  229   1HG1  ILE  32          2HG1      ILE  32   9.723  -4.797  -4.797
  230   2HG1  ILE  32          1HG1      ILE  32   9.221  -6.469  -6.469
  231   1HG2  ILE  32          3HG2      ILE  32   7.890  -2.933  -2.933
  232   2HG2  ILE  32          2HG2      ILE  32   6.841  -3.900  -3.900
  233   3HG2  ILE  32          1HG2      ILE  32   6.313  -3.465  -3.465
  234   1HD1  ILE  32          1HD1      ILE  32   7.243  -5.564  -5.564
  235   2HD1  ILE  32          3HD1      ILE  32   8.617  -4.634  -4.634
  236   3HD1  ILE  32          2HD1      ILE  32   8.690  -6.397  -6.397
  237    H    TYR  33           H        TYR  33   6.383  -5.558  -5.558
  238    HA   TYR  33           HA       TYR  33   5.644  -2.801  -2.801
  239   1HB   TYR  33          2HB       TYR  33   4.169  -5.397  -5.397
  240   2HB   TYR  33          1HB       TYR  33   3.467  -4.068  -4.068
  241    HD1  TYR  33          1HD       TYR  33   3.402  -1.740  -1.740
  242    HD2  TYR  33          2HD       TYR  33   4.098  -5.398  -5.398
  243    HE1  TYR  33          1HE       TYR  33   2.758  -0.622  -0.622
  244    HE2  TYR  33          2HE       TYR  33   3.441  -4.323  -4.323
  245    HH   TYR  33           HH       TYR  33   3.181  -0.949  -0.949
  246    H    ASP  34           H        ASP  34   7.657  -3.507  -3.507
  247    HA   ASP  34           HA       ASP  34   6.869  -5.169  -5.169
  248   1HB   ASP  34          2HB       ASP  34   8.964  -4.169  -4.169
  249   2HB   ASP  34          1HB       ASP  34   9.208  -4.838  -4.838
  250    H    ILE  35           H        ILE  35   4.838  -3.239  -3.239
  251    HA   ILE  35           HA       ILE  35   5.058  -1.361  -1.361
  252    HB   ILE  35           HB       ILE  35   5.051  -0.137  -0.137
  253   1HG1  ILE  35          2HG1      ILE  35   2.254   0.294   0.294
  254   2HG1  ILE  35          1HG1      ILE  35   2.744  -0.116  -0.116
  255   1HG2  ILE  35          1HG2      ILE  35   2.790  -1.976  -1.976
  256   2HG2  ILE  35          3HG2      ILE  35   3.340  -0.577  -0.577
  257   3HG2  ILE  35          2HG2      ILE  35   4.423  -1.944  -1.944
  258   1HD1  ILE  35          1HD1      ILE  35   4.746   1.560   1.560
  259   2HD1  ILE  35          3HD1      ILE  35   3.525   2.219   2.219
  260   3HD1  ILE  35          2HD1      ILE  35   3.210   2.140   2.140
  261    H    VAL  36           H        VAL  36   3.572  -1.804  -1.804
  262    HA   VAL  36           HA       VAL  36   1.554  -3.886  -3.886
  263    HB   VAL  36           HB       VAL  36   2.749  -3.738  -3.738
  264   1HG1  VAL  36          3HG1      VAL  36   2.446  -0.918  -0.918
  265   2HG1  VAL  36          2HG1      VAL  36   1.801  -1.312  -1.312
  266   3HG1  VAL  36          1HG1      VAL  36   3.464  -1.734  -1.734
  267   1HG2  VAL  36          1HG2      VAL  36   0.092  -4.005  -4.005
  268   2HG2  VAL  36          3HG2      VAL  36   0.953  -3.975  -3.975
  269   3HG2  VAL  36          2HG2      VAL  36   0.156  -2.518  -2.518
  270    H    GLY  37           H        GLY  37  -0.376  -3.442  -3.442
  271   1HA   GLY  37          2HA       GLY  37  -1.631  -0.776  -0.776
  272   2HA   GLY  37          1HA       GLY  37  -1.802  -1.611  -1.611
  273    H    ASP  38           H        ASP  38  -4.147  -1.559  -1.559
  274    HA   ASP  38           HA       ASP  38  -5.087  -3.530  -3.530
  275   1HB   ASP  38          2HB       ASP  38  -5.870  -0.857  -0.857
  276   2HB   ASP  38          1HB       ASP  38  -7.223  -1.960  -1.960
  277    H    CYS  39           H        CYS  39  -4.392  -3.325  -3.325
  278    HA   CYS  39           HA       CYS  39  -6.712  -4.393  -4.393
  279   1HB   CYS  39          2HB       CYS  39  -4.965  -4.940  -4.940
  280   2HB   CYS  39          1HB       CYS  39  -4.983  -3.275  -3.275
  281    H    GLY  40           H        GLY  40  -3.839  -5.968  -5.968
  282   1HA   GLY  40          2HA       GLY  40  -3.394  -8.274  -8.274
  283   2HA   GLY  40          1HA       GLY  40  -5.107  -8.363  -8.363
  284    H    GLY  41           H        GLY  41  -4.034  -7.199  -7.199
  285   1HA   GLY  41          2HA       GLY  41  -4.106  -8.186  -8.186
  286   2HA   GLY  41          1HA       GLY  41  -4.506  -9.731  -9.731
  287    H    SER  42           H        SER  42  -6.222  -6.672  -6.672
  288    HA   SER  42           HA       SER  42  -8.524  -7.732  -7.732
  289   1HB   SER  42          2HB       SER  42  -8.345  -8.152  -8.152
  290   2HB   SER  42          1HB       SER  42  -9.057  -6.541  -6.541
  291    HG   SER  42           HG       SER  42 -10.848  -7.305  -7.305
  292    H    ALA  43           H        ALA  43  -6.522  -5.194  -5.194
  293    HA   ALA  43           HA       ALA  43  -6.696  -2.995  -2.995
  294   1HB   ALA  43          1HB       ALA  43  -8.473  -4.382  -4.382
  295   2HB   ALA  43          3HB       ALA  43  -9.614  -3.416  -3.416
  296   3HB   ALA  43          2HB       ALA  43  -8.430  -2.623  -2.623
  297    H    SER  44           H        SER  44  -6.783  -3.131  -3.131
  298    HA   SER  44           HA       SER  44  -8.773  -1.034  -1.034
  299   1HB   SER  44          2HB       SER  44  -7.945  -2.827  -2.827
  300   2HB   SER  44          1HB       SER  44  -9.569  -2.353  -2.353
  301    HG   SER  44           HG       SER  44  -8.364  -4.658  -4.658
  302    H    CYS  45           H        CYS  45  -5.958  -0.875  -0.875
  303    HA   CYS  45           HA       CYS  45  -4.628  -0.232  -0.232
  304   1HB   CYS  45          2HB       CYS  45  -2.521  -0.362  -0.362
  305   2HB   CYS  45          1HB       CYS  45  -3.302  -1.814  -1.814
  306    H    ALA  46           H        ALA  46  -4.240   1.797   1.797
  307    HA   ALA  46           HA       ALA  46  -4.346   3.965   3.965
  308   1HB   ALA  46          3HB       ALA  46  -3.933   3.845   3.845
  309   2HB   ALA  46          2HB       ALA  46  -4.022   5.348   5.348
  310   3HB   ALA  46          1HB       ALA  46  -5.422   4.280   4.280
  311    H    THR  47           H        THR  47  -2.127   1.703   1.703
  312    HA   THR  47           HA       THR  47   0.213   3.562   3.562
  313    HB   THR  47           HB       THR  47   1.359   1.799   1.799
  314    HG1  THR  47          1HG       THR  47  -0.805   0.107   0.107
  315   1HG2  THR  47          3HG2      THR  47  -0.981   2.819   2.819
  316   2HG2  THR  47          2HG2      THR  47  -1.229   1.080   1.080
  317   3HG2  THR  47          1HG2      THR  47   0.177   1.848   1.848
  318    H    CYS  48           H        CYS  48  -0.980   0.575   0.575
  319    HA   CYS  48           HA       CYS  48   1.304   0.511   0.511
  320   1HB   CYS  48          2HB       CYS  48  -1.288  -0.829  -0.829
  321   2HB   CYS  48          1HB       CYS  48   0.353  -1.378  -1.378
  322    H    HIS  49           H        HIS  49  -0.639   3.004   3.004
  323    HA   HIS  49           HA       HIS  49  -2.084   3.309   3.309
  324   1HB   HIS  49          2HB       HIS  49  -1.571   4.975   4.975
  325   2HB   HIS  49          1HB       HIS  49  -0.056   5.308   5.308
  326    HD1  HIS  49          1HD       HIS  49  -2.348   7.452   7.452
  327    HD2  HIS  49          2HD       HIS  49  -1.737   5.170   5.170
  328    HE1  HIS  49          1HE       HIS  49  -3.430   8.711   8.711
  329    H    VAL  50           H        VAL  50  -1.486   3.398   3.398
  330    HA   VAL  50           HA       VAL  50   1.428   3.573   3.573
  331    HB   VAL  50           HB       VAL  50   1.049   1.691   1.691
  332   1HG1  VAL  50          3HG1      VAL  50   1.095   1.555   1.555
  333   2HG1  VAL  50          2HG1      VAL  50   0.537   0.070   0.070
  334   3HG1  VAL  50          1HG1      VAL  50   2.116   0.742   0.742
  335   1HG2  VAL  50          2HG2      VAL  50  -1.446   2.039   2.039
  336   2HG2  VAL  50          1HG2      VAL  50  -0.949   0.360   0.360
  337   3HG2  VAL  50          3HG2      VAL  50  -1.505   1.301   1.301
  338    H    TYR  51           H        TYR  51   1.845   4.239   4.239
  339    HA   TYR  51           HA       TYR  51  -0.441   5.581   5.581
  340   1HB   TYR  51          2HB       TYR  51   2.359   6.346   6.346
  341   2HB   TYR  51          1HB       TYR  51   1.656   7.046   7.046
  342    HD1  TYR  51          1HD       TYR  51  -1.048   6.362   6.362
  343    HD2  TYR  51          2HD       TYR  51   2.249   9.105   9.105
  344    HE1  TYR  51          1HE       TYR  51  -2.287   8.059   8.059
  345    HE2  TYR  51          2HE       TYR  51   0.987  10.807  10.807
  346    HH   TYR  51           HH       TYR  51  -0.818  11.188  11.188
  347    H    VAL  52           H        VAL  52  -0.813   4.684   4.684
  348    HA   VAL  52           HA       VAL  52   1.340   3.048   3.048
  349    HB   VAL  52           HB       VAL  52  -1.591   3.265   3.265
  350   1HG1  VAL  52          1HG1      VAL  52   0.661   1.717   1.717
  351   2HG1  VAL  52          3HG1      VAL  52  -0.555   0.642   0.642
  352   3HG1  VAL  52          2HG1      VAL  52  -0.993   1.743   1.743
  353   1HG2  VAL  52          2HG2      VAL  52  -0.390   2.225   2.225
  354   2HG2  VAL  52          1HG2      VAL  52  -2.098   2.342   2.342
  355   3HG2  VAL  52          3HG2      VAL  52  -1.160   0.930   0.930
  356    H    ASN  53           H        ASN  53   1.215   3.207   3.207
  357    HA   ASN  53           HA       ASN  53   1.466   6.092   6.092
  358   1HB   ASN  53          2HB       ASN  53   2.570   5.119   5.119
  359   2HB   ASN  53          1HB       ASN  53   3.251   4.402   4.402
  360   1HD2  ASN  53          2HD2      ASN  53   1.886   1.218   1.218
  361   2HD2  ASN  53          1HD2      ASN  53   2.647   2.189   2.189
  362    H    GLU  54           H        GLU  54  -0.013   7.067   7.067
  363    HA   GLU  54           HA       GLU  54  -2.610   6.335   6.335
  364   1HB   GLU  54          2HB       GLU  54  -2.418   7.669   7.669
  365   2HB   GLU  54          1HB       GLU  54  -1.703   8.445   8.445
  366   1HG   GLU  54          2HG       GLU  54   0.149   6.673   6.673
  367   2HG   GLU  54          1HG       GLU  54  -0.402   8.055   8.055
  368    H    ALA  55           H        ALA  55   0.139   4.859   4.859
  369    HA   ALA  55           HA       ALA  55  -1.345   3.646   3.646
  370   1HB   ALA  55          1HB       ALA  55   1.302   3.969   3.969
  371   2HB   ALA  55          3HB       ALA  55   1.043   2.225   2.225
  372   3HB   ALA  55          2HB       ALA  55   0.766   3.148   3.148
  373    H    PHE  56           H        PHE  56  -0.254   2.341   2.341
  374    HA   PHE  56           HA       PHE  56  -1.787  -0.147  -0.147
  375   1HB   PHE  56          2HB       PHE  56   0.241   0.676   0.676
  376   2HB   PHE  56          1HB       PHE  56  -0.578  -0.875  -0.875
  377    HD1  PHE  56          1HD       PHE  56   1.557   1.304   1.304
  378    HD2  PHE  56          2HD       PHE  56   0.242  -2.748  -2.748
  379    HE1  PHE  56          1HE       PHE  56   3.145   0.450   0.450
  380    HE2  PHE  56          2HE       PHE  56   1.810  -3.527  -3.527
  381    HZ   PHE  56           HZ       PHE  56   3.278  -1.976  -1.976
  382    H    THR  57           H        THR  57  -2.295   2.809   2.809
  383    HA   THR  57           HA       THR  57  -3.912   1.638   1.638
  384    HB   THR  57           HB       THR  57  -4.010   3.790   3.790
  385    HG1  THR  57          1HG       THR  57  -5.021   5.215   5.215
  386   1HG2  THR  57          3HG2      THR  57  -1.623   3.360   3.360
  387   2HG2  THR  57          2HG2      THR  57  -2.152   4.924   4.924
  388   3HG2  THR  57          1HG2      THR  57  -1.948   4.684   4.684
  389    H    ASP  58           H        ASP  58  -4.462   3.023   3.023
  390    HA   ASP  58           HA       ASP  58  -7.363   3.133   3.133
  391   1HB   ASP  58          2HB       ASP  58  -7.223   3.783   3.783
  392   2HB   ASP  58          1HB       ASP  58  -5.808   4.475   4.475
  393    H    LYS  59           H        LYS  59  -5.002   0.729   0.729
  394    HA   LYS  59           HA       LYS  59  -6.927  -1.034  -1.034
  395   1HB   LYS  59          2HB       LYS  59  -4.120  -1.467  -1.467
  396   2HB   LYS  59          1HB       LYS  59  -4.960  -2.526  -2.526
  397   1HG   LYS  59          2HG       LYS  59  -4.086   0.337   0.337
  398   2HG   LYS  59          1HG       LYS  59  -3.521  -1.105  -1.105
  399   1HD   LYS  59          2HD       LYS  59  -6.331   0.033   0.033
  400   2HD   LYS  59          1HD       LYS  59  -5.148   0.076   0.076
  401   1HE   LYS  59          2HE       LYS  59  -5.348  -2.640  -2.640
  402   2HE   LYS  59          1HE       LYS  59  -6.999  -2.025  -2.025
  403   1HZ   LYS  59          1HZ       LYS  59  -4.963  -1.259  -1.259
  404   2HZ   LYS  59          3HZ       LYS  59  -5.592  -2.831  -2.831
  405   3HZ   LYS  59          2HZ       LYS  59  -6.632  -1.493  -1.493
  406    H    VAL  60           H        VAL  60  -5.039  -1.228  -1.228
  407    HA   VAL  60           HA       VAL  60  -5.950  -3.527  -3.527
  408    HB   VAL  60           HB       VAL  60  -5.772  -2.143  -2.143
  409   1HG1  VAL  60          1HG1      VAL  60  -3.644  -2.053  -2.053
  410   2HG1  VAL  60          3HG1      VAL  60  -3.351  -1.515  -1.515
  411   3HG1  VAL  60          2HG1      VAL  60  -3.788  -3.194  -3.194
  412   1HG2  VAL  60          3HG2      VAL  60  -6.636  -0.044  -0.044
  413   2HG2  VAL  60          2HG2      VAL  60  -5.054   0.181   0.181
  414   3HG2  VAL  60          1HG2      VAL  60  -5.192   0.050   0.050
  415    HA   PRO  61           HA       PRO  61 -10.278  -3.318  -3.318
  416   1HB   PRO  61          2HB       PRO  61 -10.494  -4.230  -4.230
  417   2HB   PRO  61          1HB       PRO  61 -10.157  -5.276  -5.276
  418   1HG   PRO  61          2HG       PRO  61  -8.259  -4.110  -4.110
  419   2HG   PRO  61          1HG       PRO  61  -8.309  -5.749  -5.749
  420   1HD   PRO  61          2HD       PRO  61  -6.556  -3.917  -3.917
  421   2HD   PRO  61          1HD       PRO  61  -7.306  -5.109  -5.109
  422    H    ALA  62           H        ALA  62 -11.924  -2.311  -2.311
  423    HA   ALA  62           HA       ALA  62 -11.231   0.368   0.368
  424   1HB   ALA  62          3HB       ALA  62 -13.311  -0.997  -0.997
  425   2HB   ALA  62          2HB       ALA  62 -13.981  -0.545  -0.545
  426   3HB   ALA  62          1HB       ALA  62 -13.337   0.698   0.698
  427    H    ALA  63           H        ALA  63 -10.761   0.812   0.812
  428    HA   ALA  63           HA       ALA  63 -11.095  -1.062  -1.062
  429   1HB   ALA  63          1HB       ALA  63  -9.393   0.831   0.831
  430   2HB   ALA  63          3HB       ALA  63 -10.678   1.933   1.933
  431   3HB   ALA  63          2HB       ALA  63 -10.095   0.698   0.698
  432    H    ASN  64           H        ASN  64 -12.581  -0.869  -0.869
  433    HA   ASN  64           HA       ASN  64 -15.156   0.439   0.439
  434   1HB   ASN  64          2HB       ASN  64 -16.001  -1.064  -1.064
  435   2HB   ASN  64          1HB       ASN  64 -15.196  -1.935  -1.935
  436   1HD2  ASN  64          2HD2      ASN  64 -13.778  -3.170  -3.170
  437   2HD2  ASN  64          1HD2      ASN  64 -15.328  -3.154  -3.154
  438    H    GLU  65           H        GLU  65 -16.379   0.908   0.908
  439    HA   GLU  65           HA       GLU  65 -15.395   3.354   3.354
  440   1HB   GLU  65          2HB       GLU  65 -17.208   3.135   3.135
  441   2HB   GLU  65          1HB       GLU  65 -17.697   2.158   2.158
  442   1HG   GLU  65          2HG       GLU  65 -18.048   0.533   0.533
  443   2HG   GLU  65          1HG       GLU  65 -16.298   0.325   0.325
  444    H    ARG  66           H        ARG  66 -14.412   0.109   0.109
  445    HA   ARG  66           HA       ARG  66 -13.377   0.456   0.456
  446   1HB   ARG  66          2HB       ARG  66 -13.445  -1.494  -1.494
  447   2HB   ARG  66          1HB       ARG  66 -11.764  -1.304  -1.304
  448   1HG   ARG  66          2HG       ARG  66 -14.128  -2.087  -2.087
  449   2HG   ARG  66          1HG       ARG  66 -12.625  -2.971  -2.971
  450   1HD   ARG  66          2HD       ARG  66 -11.795  -0.497  -0.497
  451   2HD   ARG  66          1HD       ARG  66 -13.200  -0.954  -0.954
  452    HE   ARG  66           HE       ARG  66 -11.306  -3.138  -3.138
  453   1HH1  ARG  66          1HH2      ARG  66 -11.183  -0.318  -0.318
  454   2HH1  ARG  66          2HH2      ARG  66 -10.960  -1.100  -1.100
  455   1HH2  ARG  66          1HH1      ARG  66 -11.516  -4.287  -4.287
  456   2HH2  ARG  66          2HH1      ARG  66 -11.149  -3.347  -3.347
  457    H    GLU  67           H        GLU  67 -11.704   0.496   0.496
  458    HA   GLU  67           HA       GLU  67  -9.175   1.366   1.366
  459   1HB   GLU  67          2HB       GLU  67  -9.566   0.393   0.393
  460   2HB   GLU  67          1HB       GLU  67 -10.715   1.658   1.658
  461   1HG   GLU  67          2HG       GLU  67  -8.158   2.785   2.785
  462   2HG   GLU  67          1HG       GLU  67  -7.969   1.643   1.643
  463    H    ILE  68           H        ILE  68 -12.080   3.143   3.143
  464    HA   ILE  68           HA       ILE  68 -10.788   5.733   5.733
  465    HB   ILE  68           HB       ILE  68 -13.546   4.663   4.663
  466   1HG1  ILE  68          2HG1      ILE  68 -14.009   5.620   5.620
  467   2HG1  ILE  68          1HG1      ILE  68 -12.508   6.547   6.547
  468   1HG2  ILE  68          1HG2      ILE  68 -13.257   6.737   6.737
  469   2HG2  ILE  68          3HG2      ILE  68 -12.891   7.618   7.618
  470   3HG2  ILE  68          2HG2      ILE  68 -14.479   6.882   6.882
  471   1HD1  ILE  68          2HD1      ILE  68 -12.505   3.531   3.531
  472   2HD1  ILE  68          1HD1      ILE  68 -12.516   4.377   4.377
  473   3HD1  ILE  68          3HD1      ILE  68 -11.173   4.605   4.605
  474    H    GLY  69           H        GLY  69 -11.389   3.735   3.735
  475   1HA   GLY  69          2HA       GLY  69 -11.355   6.037   6.037
  476   2HA   GLY  69          1HA       GLY  69 -11.530   4.352   4.352
  477    H    MET  70           H        MET  70  -9.558   3.011   3.011
  478    HA   MET  70           HA       MET  70  -7.364   4.106   4.106
  479   1HB   MET  70          2HB       MET  70  -6.242   2.158   2.158
  480   2HB   MET  70          1HB       MET  70  -6.762   1.925   1.925
  481   1HG   MET  70          2HG       MET  70  -7.771   0.274   0.274
  482   2HG   MET  70          1HG       MET  70  -9.017   1.305   1.305
  483   1HE   MET  70          1HE       MET  70  -7.612  -0.416  -0.416
  484   2HE   MET  70          3HE       MET  70  -9.034  -0.404  -0.404
  485   3HE   MET  70          2HE       MET  70  -7.537   0.395   0.395
  486    H    LEU  71           H        LEU  71  -7.945   4.032   4.032
  487    HA   LEU  71           HA       LEU  71  -5.338   4.899   4.899
  488   1HB   LEU  71          2HB       LEU  71  -7.342   3.862   3.862
  489   2HB   LEU  71          1HB       LEU  71  -8.012   5.497   5.497
  490    HG   LEU  71           HG       LEU  71  -5.615   4.400   4.400
  491   1HD1  LEU  71          3HD1      LEU  71  -8.202   5.464   5.464
  492   2HD1  LEU  71          2HD1      LEU  71  -6.975   6.526   6.526
  493   3HD1  LEU  71          1HD1      LEU  71  -6.989   4.811   4.811
  494   1HD2  LEU  71          2HD2      LEU  71  -6.004   7.296   7.296
  495   2HD2  LEU  71          1HD2      LEU  71  -4.648   6.255   6.255
  496   3HD2  LEU  71          3HD2      LEU  71  -4.875   6.754   6.754
  497    H    GLU  72           H        GLU  72  -8.187   6.504   6.504
  498    HA   GLU  72           HA       GLU  72  -7.111   9.209   9.209
  499   1HB   GLU  72          2HB       GLU  72  -9.375   9.394   9.394
  500   2HB   GLU  72          1HB       GLU  72  -9.658   7.900   7.900
  501   1HG   GLU  72          2HG       GLU  72  -9.832   8.973   8.973
  502   2HG   GLU  72          1HG       GLU  72  -8.738  10.284  10.284
  503    H    CYS  73           H        CYS  73  -7.284   6.845   6.845
  504    HA   CYS  73           HA       CYS  73  -7.104   8.396   8.396
  505   1HB   CYS  73          2HB       CYS  73  -5.838   5.824   5.824
  506   2HB   CYS  73          1HB       CYS  73  -5.466   6.454   6.454
  507    HG   CYS  73           HG       CYS  73  -7.673   5.658   5.658
  508    H    VAL  74           H        VAL  74  -4.508   7.522   7.522
  509    HA   VAL  74           HA       VAL  74  -2.629   9.353   9.353
  510    HB   VAL  74           HB       VAL  74  -1.202   8.476   8.476
  511   1HG1  VAL  74          2HG1      VAL  74  -1.973   6.864   6.864
  512   2HG1  VAL  74          1HG1      VAL  74  -0.617   6.463   6.463
  513   3HG1  VAL  74          3HG1      VAL  74  -0.618   7.981   7.981
  514   1HG2  VAL  74          3HG2      VAL  74  -3.429   7.341   7.341
  515   2HG2  VAL  74          2HG2      VAL  74  -1.903   6.469   6.469
  516   3HG2  VAL  74          1HG2      VAL  74  -3.013   6.106   6.106
  517    H    THR  75           H        THR  75  -3.946  11.282  11.282
  518    HA   THR  75           HA       THR  75  -4.766  12.192  12.192
  519    HB   THR  75           HB       THR  75  -5.025  13.318  13.318
  520    HG1  THR  75          1HG       THR  75  -4.263  15.479  15.479
  521   1HG2  THR  75          3HG2      THR  75  -2.193  13.074  13.074
  522   2HG2  THR  75          2HG2      THR  75  -2.560  14.799  14.799
  523   3HG2  THR  75          1HG2      THR  75  -3.222  13.767  13.767
  524    H    ALA  76           H        ALA  76  -3.307  11.463  11.463
  525    HA   ALA  76           HA       ALA  76  -0.669  12.890  12.890
  526   1HB   ALA  76          3HB       ALA  76  -1.020  10.253  10.253
  527   2HB   ALA  76          2HB       ALA  76  -1.320  10.438  10.438
  528   3HB   ALA  76          1HB       ALA  76   0.226  10.938  10.938
  529    H    GLU  77           H        GLU  77  -2.739  14.416  14.416
  530    HA   GLU  77           HA       GLU  77  -3.832  15.335  15.335
  531   1HB   GLU  77          2HB       GLU  77  -2.170  16.120  16.120
  532   2HB   GLU  77          1HB       GLU  77  -1.395  16.061  16.061
  533   1HG   GLU  77          2HG       GLU  77  -1.206  13.606  13.606
  534   2HG   GLU  77          1HG       GLU  77  -0.263  15.001  15.001
  535    H    LEU  78           H        LEU  78  -4.553  12.771  12.771
  536    HA   LEU  78           HA       LEU  78  -4.370  10.667  10.667
  537   1HB   LEU  78          2HB       LEU  78  -6.441  12.110  12.110
  538   2HB   LEU  78          1HB       LEU  78  -6.960  11.875  11.875
  539    HG   LEU  78           HG       LEU  78  -6.377   9.435   9.435
  540   1HD1  LEU  78          1HD1      LEU  78  -5.339  10.427  10.427
  541   2HD1  LEU  78          3HD1      LEU  78  -6.566   9.197   9.197
  542   3HD1  LEU  78          2HD1      LEU  78  -5.175   8.819   8.819
  543   1HD2  LEU  78          3HD2      LEU  78  -8.544  10.883  10.883
  544   2HD2  LEU  78          2HD2      LEU  78  -8.637   9.580   9.580
  545   3HD2  LEU  78          1HD2      LEU  78  -8.313   9.212   9.212
  546    H    LYS  79           H        LYS  79  -4.077  10.062  10.062
  547    HA   LYS  79           HA       LYS  79  -4.243  12.149  12.149
  548   1HB   LYS  79          2HB       LYS  79  -3.127   9.363   9.363
  549   2HB   LYS  79          1HB       LYS  79  -2.623  10.844  10.844
  550   1HG   LYS  79          2HG       LYS  79  -2.254  11.114  11.114
  551   2HG   LYS  79          1HG       LYS  79  -1.442   9.668   9.668
  552   1HD   LYS  79          2HD       LYS  79   0.214  11.018  11.018
  553   2HD   LYS  79          1HD       LYS  79  -0.885  11.564  11.564
  554   1HE   LYS  79          2HE       LYS  79  -1.819  13.192  13.192
  555   2HE   LYS  79          1HE       LYS  79  -0.312  12.848  12.848
  556   1HZ   LYS  79          1HZ       LYS  79  -0.283  13.504  13.504
  557   2HZ   LYS  79          3HZ       LYS  79  -0.289  14.738  14.738
  558   3HZ   LYS  79          2HZ       LYS  79   0.983  13.612  13.612
  559    HA   PRO  80           HA       PRO  80  -7.686  10.197  10.197
  560   1HB   PRO  80          2HB       PRO  80  -6.923   9.921   9.921
  561   2HB   PRO  80          1HB       PRO  80  -7.380  11.481  11.481
  562   1HG   PRO  80          2HG       PRO  80  -4.670  10.344  10.344
  563   2HG   PRO  80          1HG       PRO  80  -5.257  12.001  12.001
  564   1HD   PRO  80          2HD       PRO  80  -3.766  11.272  11.272
  565   2HD   PRO  80          1HD       PRO  80  -5.013  12.533  12.533
  566    H    ASN  81           H        ASN  81  -4.533   8.767   8.767
  567    HA   ASN  81           HA       ASN  81  -5.758   6.094   6.094
  568   1HB   ASN  81          2HB       ASN  81  -3.402   5.570   5.570
  569   2HB   ASN  81          1HB       ASN  81  -4.131   6.879   6.879
  570   1HD2  ASN  81          2HD2      ASN  81  -0.727   7.975   7.975
  571   2HD2  ASN  81          1HD2      ASN  81  -1.293   6.678   6.678
  572    H    SER  82           H        SER  82  -4.510   7.910   7.910
  573    HA   SER  82           HA       SER  82  -2.810   6.235   6.235
  574   1HB   SER  82          2HB       SER  82  -5.195   7.860   7.860
  575   2HB   SER  82          1HB       SER  82  -3.901   7.292   7.292
  576    HG   SER  82           HG       SER  82  -2.633   8.394   8.394
  577    H    ARG  83           H        ARG  83  -3.235   4.668   4.668
  578    HA   ARG  83           HA       ARG  83  -5.817   3.478   3.478
  579   1HB   ARG  83          2HB       ARG  83  -4.442   2.771   2.771
  580   2HB   ARG  83          1HB       ARG  83  -4.409   1.369   1.369
  581   1HG   ARG  83          2HG       ARG  83  -6.633   1.014   1.014
  582   2HG   ARG  83          1HG       ARG  83  -7.007   2.727   2.727
  583   1HD   ARG  83          2HD       ARG  83  -7.513   2.686   2.686
  584   2HD   ARG  83          1HD       ARG  83  -5.765   2.585   2.585
  585    HE   ARG  83           HE       ARG  83  -5.988   0.116   0.116
  586   1HH1  ARG  83          1HH2      ARG  83  -8.018  -1.205  -1.205
  587   2HH1  ARG  83          2HH2      ARG  83  -9.369  -1.072  -1.072
  588   1HH2  ARG  83          1HH1      ARG  83  -8.096   1.682   1.682
  589   2HH2  ARG  83          2HH1      ARG  83  -9.412   0.562   0.562
  590    H    LEU  84           H        LEU  84  -5.523   1.386   1.386
  591    HA   LEU  84           HA       LEU  84  -3.166   1.665   1.665
  592   1HB   LEU  84          2HB       LEU  84  -5.897   0.872   0.872
  593   2HB   LEU  84          1HB       LEU  84  -4.912  -0.518  -0.518
  594    HG   LEU  84           HG       LEU  84  -4.744   2.269   2.269
  595   1HD1  LEU  84          1HD1      LEU  84  -5.913  -0.332  -0.332
  596   2HD1  LEU  84          3HD1      LEU  84  -5.037   0.496   0.496
  597   3HD1  LEU  84          2HD1      LEU  84  -6.360   1.301   1.301
  598   1HD2  LEU  84          2HD2      LEU  84  -2.892  -0.081  -0.081
  599   2HD2  LEU  84          1HD2      LEU  84  -2.523   1.643   1.643
  600   3HD2  LEU  84          3HD2      LEU  84  -3.068   0.849   0.849
  601    H    SER  85           H        SER  85  -1.561   0.091   0.091
  602    HA   SER  85           HA       SER  85  -0.664  -1.409  -1.409
  603   1HB   SER  85          2HB       SER  85   0.774  -2.392  -2.392
  604   2HB   SER  85          1HB       SER  85   0.284  -0.956  -0.956
  605    HG   SER  85           HG       SER  85   0.183  -3.112  -3.112
  606    H    CYS  86           H        CYS  86  -3.026  -2.372  -2.372
  607    HA   CYS  86           HA       CYS  86  -3.284  -5.080  -5.080
  608   1HB   CYS  86          2HB       CYS  86  -4.727  -3.875  -3.875
  609   2HB   CYS  86          1HB       CYS  86  -4.391  -5.572  -5.572
  610    H    GLN  87           H        GLN  87  -4.228  -2.900  -2.900
  611    HA   GLN  87           HA       GLN  87  -7.111  -3.546  -3.546
  612   1HB   GLN  87          2HB       GLN  87  -5.661  -0.983  -0.983
  613   2HB   GLN  87          1HB       GLN  87  -6.995  -1.093  -1.093
  614   1HG   GLN  87          2HG       GLN  87  -7.132  -1.563  -1.563
  615   2HG   GLN  87          1HG       GLN  87  -7.863  -0.231  -0.231
  616   1HE2  GLN  87          2HE2      GLN  87  -9.634  -3.928  -3.928
  617   2HE2  GLN  87          1HE2      GLN  87  -8.036  -3.760  -3.760
  618    H    ILE  88           H        ILE  88  -4.358  -2.541  -2.541
  619    HA   ILE  88           HA       ILE  88  -5.818  -3.199  -3.199
  620    HB   ILE  88           HB       ILE  88  -2.887  -2.831  -2.831
  621   1HG1  ILE  88          2HG1      ILE  88  -4.750  -0.700  -0.700
  622   2HG1  ILE  88          1HG1      ILE  88  -3.244  -1.279  -1.279
  623   1HG2  ILE  88          3HG2      ILE  88  -4.474  -2.869  -2.869
  624   2HG2  ILE  88          2HG2      ILE  88  -5.145  -1.349  -1.349
  625   3HG2  ILE  88          1HG2      ILE  88  -3.460  -1.429  -1.429
  626   1HD1  ILE  88          3HD1      ILE  88  -3.420   0.151   0.151
  627   2HD1  ILE  88          2HD1      ILE  88  -3.000   0.939   0.939
  628   3HD1  ILE  88          1HD1      ILE  88  -1.949  -0.311  -0.311
  629    H    ILE  89           H        ILE  89  -5.342  -4.916  -4.916
  630    HA   ILE  89           HA       ILE  89  -3.847  -7.185  -7.185
  631    HB   ILE  89           HB       ILE  89  -6.215  -6.930  -6.930
  632   1HG1  ILE  89          2HG1      ILE  89  -6.830  -6.873  -6.873
  633   2HG1  ILE  89          1HG1      ILE  89  -7.173  -8.513  -8.513
  634   1HG2  ILE  89          1HG2      ILE  89  -4.641  -8.654  -8.654
  635   2HG2  ILE  89          3HG2      ILE  89  -4.723  -9.474  -9.474
  636   3HG2  ILE  89          2HG2      ILE  89  -6.167  -9.343  -9.343
  637   1HD1  ILE  89          1HD1      ILE  89  -4.824  -9.120  -9.120
  638   2HD1  ILE  89          3HD1      ILE  89  -4.828  -7.558  -7.558
  639   3HD1  ILE  89          2HD1      ILE  89  -6.029  -8.779  -8.779
  640    H    MET  90           H        MET  90  -2.731  -8.604  -8.604
  641    HA   MET  90           HA       MET  90  -1.585  -6.965  -6.965
  642   1HB   MET  90          2HB       MET  90  -0.394  -8.204  -8.204
  643   2HB   MET  90          1HB       MET  90  -0.278  -9.456  -9.456
  644   1HG   MET  90          2HG       MET  90   1.704  -7.940  -7.940
  645   2HG   MET  90          1HG       MET  90   0.836  -7.915  -7.915
  646   1HE   MET  90          3HE       MET  90   0.995  -6.043  -6.043
  647   2HE   MET  90          2HE       MET  90  -0.729  -5.870  -5.870
  648   3HE   MET  90          1HE       MET  90   0.322  -4.461  -4.461
  649    H    THR  91           H        THR  91  -3.308  -7.571  -7.571
  650    HA   THR  91           HA       THR  91  -3.988 -10.324 -10.324
  651    HB   THR  91           HB       THR  91  -4.827  -9.054  -9.054
  652    HG1  THR  91          1HG       THR  91  -5.097  -6.769  -6.769
  653   1HG2  THR  91          2HG2      THR  91  -6.262  -9.816  -9.816
  654   2HG2  THR  91          1HG2      THR  91  -5.841  -8.366  -8.366
  655   3HG2  THR  91          3HG2      THR  91  -6.763  -8.230  -8.230
  656    HA   PRO  92           HA       PRO  92  -0.726 -11.353 -11.353
  657   1HB   PRO  92          2HB       PRO  92  -2.005 -12.983 -12.983
  658   2HB   PRO  92          1HB       PRO  92  -1.637 -13.468 -13.468
  659   1HG   PRO  92          2HG       PRO  92  -4.207 -12.635 -12.635
  660   2HG   PRO  92          1HG       PRO  92  -3.883 -13.753 -13.753
  661   1HD   PRO  92          2HD       PRO  92  -4.774 -11.125 -11.125
  662   2HD   PRO  92          1HD       PRO  92  -4.063 -12.113 -12.113
  663    H    GLU  93           H        GLU  93  -3.158  -9.293  -9.293
  664    HA   GLU  93           HA       GLU  93  -2.115  -8.937  -8.937
  665   1HB   GLU  93          2HB       GLU  93  -4.270  -7.855  -7.855
  666   2HB   GLU  93          1HB       GLU  93  -4.555  -9.412  -9.412
  667   1HG   GLU  93          2HG       GLU  93  -4.693  -8.247  -8.247
  668   2HG   GLU  93          1HG       GLU  93  -4.524  -6.705  -6.705
  669    H    LEU  94           H        LEU  94  -2.382  -7.521  -7.521
  670    HA   LEU  94           HA       LEU  94  -1.488  -4.850  -4.850
  671   1HB   LEU  94          2HB       LEU  94  -2.437  -5.783  -5.783
  672   2HB   LEU  94          1HB       LEU  94  -2.180  -4.113  -4.113
  673    HG   LEU  94           HG       LEU  94  -4.308  -6.040  -6.040
  674   1HD1  LEU  94          3HD1      LEU  94  -4.245  -3.199  -3.199
  675   2HD1  LEU  94          2HD1      LEU  94  -5.702  -3.963  -3.963
  676   3HD1  LEU  94          1HD1      LEU  94  -4.916  -4.618  -4.618
  677   1HD2  LEU  94          3HD2      LEU  94  -3.181  -5.099  -5.099
  678   2HD2  LEU  94          2HD2      LEU  94  -4.839  -4.508  -4.508
  679   3HD2  LEU  94          1HD2      LEU  94  -3.481  -3.474  -3.474
  680    H    ASP  95           H        ASP  95   0.571  -6.358  -6.358
  681    HA   ASP  95           HA       ASP  95   2.106  -6.504  -6.504
  682   1HB   ASP  95          2HB       ASP  95   2.709  -8.482  -8.482
  683   2HB   ASP  95          1HB       ASP  95   1.829  -8.088  -8.088
  684    H    GLY  96           H        GLY  96   4.109  -5.541  -5.541
  685   1HA   GLY  96          2HA       GLY  96   5.970  -4.121  -4.121
  686   2HA   GLY  96          1HA       GLY  96   4.897  -3.516  -3.516
  687    H    ILE  97           H        ILE  97   3.592  -4.101  -4.101
  688    HA   ILE  97           HA       ILE  97   2.494  -1.515  -1.515
  689    HB   ILE  97           HB       ILE  97   2.063  -3.952  -3.952
  690   1HG1  ILE  97          2HG1      ILE  97   0.319  -2.361  -2.361
  691   2HG1  ILE  97          1HG1      ILE  97   0.383  -2.785  -2.785
  692   1HG2  ILE  97          2HG2      ILE  97   3.960  -3.414  -3.414
  693   2HG2  ILE  97          1HG2      ILE  97   2.755  -2.376  -2.376
  694   3HG2  ILE  97          3HG2      ILE  97   2.459  -4.102  -4.102
  695   1HD1  ILE  97          3HD1      ILE  97   1.828  -0.397  -0.397
  696   2HD1  ILE  97          2HD1      ILE  97   0.217  -0.308  -0.308
  697   3HD1  ILE  97          1HD1      ILE  97   1.585  -0.777  -0.777
  698    H    VAL  98           H        VAL  98   3.338   0.298   0.298
  699    HA   VAL  98           HA       VAL  98   5.868   0.420   0.420
  700    HB   VAL  98           HB       VAL  98   4.343   2.680   2.680
  701   1HG1  VAL  98          3HG1      VAL  98   7.186   2.172   2.172
  702   2HG1  VAL  98          2HG1      VAL  98   6.819   3.398   3.398
  703   3HG1  VAL  98          1HG1      VAL  98   6.131   3.527   3.527
  704   1HG2  VAL  98          1HG2      VAL  98   6.325   0.752   0.752
  705   2HG2  VAL  98          3HG2      VAL  98   4.613   0.891   0.891
  706   3HG2  VAL  98          2HG2      VAL  98   5.714   2.221   2.221
  707    H    VAL  99           H        VAL  99   5.510   0.629   0.629
  708    HA   VAL  99           HA       VAL  99   2.981   1.955   1.955
  709    HB   VAL  99           HB       VAL  99   4.908   0.718   0.718
  710   1HG1  VAL  99          2HG1      VAL  99   2.032   1.245   1.245
  711   2HG1  VAL  99          1HG1      VAL  99   2.424  -0.330  -0.330
  712   3HG1  VAL  99          3HG1      VAL  99   3.068   1.148   1.148
  713   1HG2  VAL  99          3HG2      VAL  99   3.775  -0.693  -0.693
  714   2HG2  VAL  99          2HG2      VAL  99   5.104  -1.131  -1.131
  715   3HG2  VAL  99          1HG2      VAL  99   3.440  -1.449  -1.449
  716    H    ASP 100           H        ASP 100   3.464   2.887   2.887
  717    HA   ASP 100           HA       ASP 100   6.001   4.231   4.231
  718   1HB   ASP 100          2HB       ASP 100   3.528   5.714   5.714
  719   2HB   ASP 100          1HB       ASP 100   4.846   6.530   6.530
  720    H    VAL 101           H        VAL 101   6.254   4.818   4.818
  721    HA   VAL 101           HA       VAL 101   3.934   4.187   4.187
  722    HB   VAL 101           HB       VAL 101   6.780   4.821   4.821
  723   1HG1  VAL 101          3HG1      VAL 101   4.738   4.651   4.651
  724   2HG1  VAL 101          2HG1      VAL 101   4.853   2.916   2.916
  725   3HG1  VAL 101          1HG1      VAL 101   6.219   3.782   3.782
  726   1HG2  VAL 101          2HG2      VAL 101   5.953   2.696   2.696
  727   2HG2  VAL 101          1HG2      VAL 101   7.484   2.821   2.821
  728   3HG2  VAL 101          3HG2      VAL 101   6.115   1.993   1.993
  729    HA   PRO 102           HA       PRO 102   3.371   8.651   8.651
  730   1HB   PRO 102          2HB       PRO 102   0.996   8.543   8.543
  731   2HB   PRO 102          1HB       PRO 102   1.129   8.236   8.236
  732   1HG   PRO 102          2HG       PRO 102   0.980   6.282   6.282
  733   2HG   PRO 102          1HG       PRO 102   0.152   6.263   6.263
  734   1HD   PRO 102          2HD       PRO 102   2.332   4.762   4.762
  735   2HD   PRO 102          1HD       PRO 102   2.010   5.484   5.484
  736    H    ASP 103           H        ASP 103   5.125   9.048   9.048
  737    HA   ASP 103           HA       ASP 103   4.347   8.777   8.777
  738   1HB   ASP 103          2HB       ASP 103   6.588   7.969   7.969
  739   2HB   ASP 103          1HB       ASP 103   7.123   9.463   9.463
  740    H    ARG 104           H        ARG 104   3.421  10.714  10.714
  741    HA   ARG 104           HA       ARG 104   4.742  13.236  13.236
  742   1HB   ARG 104          2HB       ARG 104   2.168  13.606  13.606
  743   2HB   ARG 104          1HB       ARG 104   2.672  14.072  14.072
  744   1HG   ARG 104          2HG       ARG 104   1.113  12.559  12.559
  745   2HG   ARG 104          1HG       ARG 104   2.357  11.367  11.367
  746   1HD   ARG 104          2HD       ARG 104   0.026  12.189  12.189
  747   2HD   ARG 104          1HD       ARG 104   0.491  10.561  10.561
  748    HE   ARG 104           HE       ARG 104   2.389  12.071  12.071
  749   1HH1  ARG 104          1HH2      ARG 104   1.987   9.028   9.028
  750   2HH1  ARG 104          2HH2      ARG 104   1.691   8.329   8.329
  751   1HH2  ARG 104          1HH1      ARG 104   1.220  11.382  11.382
  752   2HH2  ARG 104          2HH1      ARG 104   1.256   9.661   9.661
  753    H    GLN 105           H        GLN 105   5.511  14.677  14.677
  754    HA   GLN 105           HA       GLN 105   5.234  13.822  13.822
  755   1HB   GLN 105          2HB       GLN 105   7.524  15.281  15.281
  756   2HB   GLN 105          1HB       GLN 105   7.518  14.606  14.606
  757   1HG   GLN 105          2HG       GLN 105   7.506  12.379  12.379
  758   2HG   GLN 105          1HG       GLN 105   7.009  12.871  12.871
  759   1HE2  GLN 105          2HE2      GLN 105  10.397  14.303  14.303
  760   2HE2  GLN 105          1HE2      GLN 105   8.809  14.903  14.903
  761    H    TRP 106           H        TRP 106   4.201  16.107  16.107
  762    HA   TRP 106           HA       TRP 106   4.713  18.593  18.593
  763   1HB   TRP 106          2HB       TRP 106   3.016  17.496  17.496
  764   2HB   TRP 106          1HB       TRP 106   2.345  18.916  18.916
  765    HD1  TRP 106           HD       TRP 106   4.984  17.849  17.849
  766    HE1  TRP 106          1HE       TRP 106   6.346  19.897  19.897
  767    HE3  TRP 106          3HE       TRP 106   3.297  21.335  21.335
  768    HZ2  TRP 106          2HZ       TRP 106   6.675  22.653  22.653
  769    HZ3  TRP 106          3HZ       TRP 106   4.149  23.662  23.662
  770    HH2  TRP 106           HH       TRP 106   5.835  24.324  24.324

  Start of MODEL   16
    1   1H    SER   1          3HT       SER   1   2.249  -9.644  -9.644
    2   2H    SER   1          2HT       SER   1   1.005  -9.229  -9.229
    3   3H    SER   1          1HT       SER   1   1.445 -10.851 -10.851
    4    HA   SER   1           HA       SER   1   3.079 -10.722 -10.722
    5   1HB   SER   1          2HB       SER   1   1.142  -8.622  -8.622
    6   2HB   SER   1          1HB       SER   1   2.699  -8.106  -8.106
    7    HG   SER   1           HG       SER   1   0.982  -9.887  -9.887
    8    H    LYS   2           H        LYS   2   4.487  -8.440  -8.440
    9    HA   LYS   2           HA       LYS   2   6.594  -8.219  -8.219
   10   1HB   LYS   2          2HB       LYS   2   6.476  -8.120  -8.120
   11   2HB   LYS   2          1HB       LYS   2   6.347  -6.388  -6.388
   12   1HG   LYS   2          2HG       LYS   2   8.394  -7.415  -7.415
   13   2HG   LYS   2          1HG       LYS   2   8.693  -8.031  -8.031
   14   1HD   LYS   2          2HD       LYS   2   8.174  -5.551  -5.551
   15   2HD   LYS   2          1HD       LYS   2   8.592  -5.189  -5.189
   16   1HE   LYS   2          2HE       LYS   2  10.502  -7.038  -7.038
   17   2HE   LYS   2          1HE       LYS   2  10.422  -5.475  -5.475
   18   1HZ   LYS   2          2HZ       LYS   2  10.405  -4.478  -4.478
   19   2HZ   LYS   2          1HZ       LYS   2  10.951  -5.994  -5.994
   20   3HZ   LYS   2          3HZ       LYS   2  11.884  -5.099  -5.099
   21    H    VAL   3           H        VAL   3   6.078  -7.001  -7.001
   22    HA   VAL   3           HA       VAL   3   4.807  -4.328  -4.328
   23    HB   VAL   3           HB       VAL   3   4.827  -6.319  -6.319
   24   1HG1  VAL   3          3HG1      VAL   3   4.381  -3.329  -3.329
   25   2HG1  VAL   3          2HG1      VAL   3   3.629  -4.457  -4.457
   26   3HG1  VAL   3          1HG1      VAL   3   5.386  -4.358  -4.358
   27   1HG2  VAL   3          3HG2      VAL   3   3.044  -5.614  -5.614
   28   2HG2  VAL   3          2HG2      VAL   3   2.639  -6.514  -6.514
   29   3HG2  VAL   3          1HG2      VAL   3   2.423  -4.764  -4.764
   30    H    VAL   4           H        VAL   4   5.802  -2.489  -2.489
   31    HA   VAL   4           HA       VAL   4   8.488  -2.881  -2.881
   32    HB   VAL   4           HB       VAL   4   7.642  -1.262  -1.262
   33   1HG1  VAL   4          2HG1      VAL   4   8.718   0.324   0.324
   34   2HG1  VAL   4          1HG1      VAL   4  10.104  -0.760  -0.760
   35   3HG1  VAL   4          3HG1      VAL   4   9.737   0.023   0.023
   36   1HG2  VAL   4          3HG2      VAL   4   9.932  -3.125  -3.125
   37   2HG2  VAL   4          2HG2      VAL   4   8.619  -3.403  -3.403
   38   3HG2  VAL   4          1HG2      VAL   4   9.848  -2.186  -2.186
   39    H    TYR   5           H        TYR   5   8.755  -1.655  -1.655
   40    HA   TYR   5           HA       TYR   5   6.636   0.363   0.363
   41   1HB   TYR   5          2HB       TYR   5   8.505  -1.174  -1.174
   42   2HB   TYR   5          1HB       TYR   5   7.201  -0.139  -0.139
   43    HD1  TYR   5          2HD       TYR   5   4.907  -0.603  -0.603
   44    HD2  TYR   5          1HD       TYR   5   8.074  -3.501  -3.501
   45    HE1  TYR   5          2HE       TYR   5   3.263  -2.409  -2.409
   46    HE2  TYR   5          1HE       TYR   5   6.428  -5.279  -5.279
   47    HH   TYR   5           HH       TYR   5   4.254  -5.771  -5.771
   48    H    VAL   6           H        VAL   6   7.202   2.402   2.402
   49    HA   VAL   6           HA       VAL   6  10.115   3.116   3.116
   50    HB   VAL   6           HB       VAL   6   7.872   5.059   5.059
   51   1HG1  VAL   6          2HG1      VAL   6  10.363   5.659   5.659
   52   2HG1  VAL   6          1HG1      VAL   6  10.581   4.885   4.885
   53   3HG1  VAL   6          3HG1      VAL   6   9.528   6.291   6.291
   54   1HG2  VAL   6          3HG2      VAL   6   8.508   2.740   2.740
   55   2HG2  VAL   6          2HG2      VAL   6   7.179   3.888   3.888
   56   3HG2  VAL   6          1HG2      VAL   6   8.737   4.246   4.246
   57    H    SER   7           H        SER   7  10.846   3.653   3.653
   58    HA   SER   7           HA       SER   7   9.005   4.322   4.322
   59   1HB   SER   7          2HB       SER   7  11.087   4.357   4.357
   60   2HB   SER   7          1HB       SER   7  11.098   2.955   2.955
   61    HG   SER   7           HG       SER   7  12.286   5.473   5.473
   62    H    HIS   8           H        HIS   8   8.450   6.370   6.370
   63    HA   HIS   8           HA       HIS   8   8.666   8.633   8.633
   64   1HB   HIS   8          2HB       HIS   8   8.685   9.795   9.795
   65   2HB   HIS   8          1HB       HIS   8   7.324   8.797   8.797
   66    HD1  HIS   8          1HD       HIS   8   6.679   7.185   7.185
   67    HD2  HIS   8          2HD       HIS   8  10.750   7.980   7.980
   68    HE1  HIS   8          1HE       HIS   8   7.568   5.774   5.774
   69    H    ASP   9           H        ASP   9  11.283   7.268   7.268
   70    HA   ASP   9           HA       ASP   9  12.972   9.649   9.649
   71   1HB   ASP   9          2HB       ASP   9  14.542   8.248   8.248
   72   2HB   ASP   9          1HB       ASP   9  12.948   7.798   7.798
   73    H    GLY  10           H        GLY  10  12.048   7.406   7.406
   74   1HA   GLY  10          2HA       GLY  10  12.918   7.713   7.713
   75   2HA   GLY  10          1HA       GLY  10  14.518   7.929   7.929
   76    H    THR  11           H        THR  11  14.242   5.672   5.672
   77    HA   THR  11           HA       THR  11  15.382   3.598   3.598
   78    HB   THR  11           HB       THR  11  14.368   4.129   4.129
   79    HG1  THR  11          1HG       THR  11  16.444   3.554   3.554
   80   1HG2  THR  11          1HG2      THR  11  12.570   2.458   2.458
   81   2HG2  THR  11          3HG2      THR  11  13.863   1.261   1.261
   82   3HG2  THR  11          2HG2      THR  11  13.460   2.050   2.050
   83    H    ARG  12           H        ARG  12  14.583   1.889   1.889
   84    HA   ARG  12           HA       ARG  12  11.619   1.775   1.775
   85   1HB   ARG  12          2HB       ARG  12  13.953   1.533   1.533
   86   2HB   ARG  12          1HB       ARG  12  12.281   1.188   1.188
   87   1HG   ARG  12          2HG       ARG  12  11.875   3.592   3.592
   88   2HG   ARG  12          1HG       ARG  12  13.572   3.808   3.808
   89   1HD   ARG  12          2HD       ARG  12  12.762   2.766   2.766
   90   2HD   ARG  12          1HD       ARG  12  11.202   3.428   3.428
   91    HE   ARG  12           HE       ARG  12  13.210   5.389   5.389
   92   1HH1  ARG  12          1HH2      ARG  12  10.544   5.450   5.450
   93   2HH1  ARG  12          2HH2      ARG  12  11.154   6.029   6.029
   94   1HH2  ARG  12          1HH1      ARG  12  14.472   5.418   5.418
   95   2HH2  ARG  12          2HH1      ARG  12  13.377   6.011   6.011
   96    H    ARG  13           H        ARG  13  10.827  -0.185  -0.185
   97    HA   ARG  13           HA       ARG  13  12.641  -2.556  -2.556
   98   1HB   ARG  13          2HB       ARG  13  11.037  -1.600  -1.600
   99   2HB   ARG  13          1HB       ARG  13   9.795  -2.464  -2.464
  100   1HG   ARG  13          2HG       ARG  13  10.453  -4.421  -4.421
  101   2HG   ARG  13          1HG       ARG  13  12.099  -4.159  -4.159
  102   1HD   ARG  13          2HD       ARG  13  11.787  -4.408  -4.408
  103   2HD   ARG  13          1HD       ARG  13  12.729  -3.010  -3.010
  104    HE   ARG  13           HE       ARG  13   9.908  -2.381  -2.381
  105   1HH1  ARG  13          1HH2      ARG  13  12.223  -3.407  -3.407
  106   2HH1  ARG  13          2HH2      ARG  13  11.946  -2.102  -2.102
  107   1HH2  ARG  13          1HH1      ARG  13   9.765  -0.427  -0.427
  108   2HH2  ARG  13          2HH1      ARG  13  10.555  -0.415  -0.415
  109    H    GLU  14           H        GLU  14  11.934  -4.544  -4.544
  110    HA   GLU  14           HA       GLU  14   9.713  -4.152  -4.152
  111   1HB   GLU  14          2HB       GLU  14  12.341  -5.595  -5.595
  112   2HB   GLU  14          1HB       GLU  14  11.115  -5.188  -5.188
  113   1HG   GLU  14          2HG       GLU  14  11.661  -2.739  -2.739
  114   2HG   GLU  14          1HG       GLU  14  13.244  -3.516  -3.516
  115    H    LEU  15           H        LEU  15   8.278  -5.830  -5.830
  116    HA   LEU  15           HA       LEU  15   9.023  -8.344  -8.344
  117   1HB   LEU  15          2HB       LEU  15   6.562  -6.623  -6.623
  118   2HB   LEU  15          1HB       LEU  15   6.411  -8.334  -8.334
  119    HG   LEU  15           HG       LEU  15   7.905  -6.208  -6.208
  120   1HD1  LEU  15          3HD1      LEU  15   5.367  -7.314  -7.314
  121   2HD1  LEU  15          2HD1      LEU  15   6.329  -8.258  -8.258
  122   3HD1  LEU  15          1HD1      LEU  15   6.243  -6.505  -6.505
  123   1HD2  LEU  15          3HD2      LEU  15   8.012  -9.191  -9.191
  124   2HD2  LEU  15          2HD2      LEU  15   9.364  -8.172  -8.172
  125   3HD2  LEU  15          1HD2      LEU  15   8.709  -7.971  -7.971
  126    H    ASP  16           H        ASP  16   8.438 -10.265 -10.265
  127    HA   ASP  16           HA       ASP  16   7.399 -10.114 -10.114
  128   1HB   ASP  16          2HB       ASP  16   9.527 -11.309 -11.309
  129   2HB   ASP  16          1HB       ASP  16   8.791 -12.287 -12.287
  130    H    VAL  17           H        VAL  17   5.217  -9.726  -9.726
  131    HA   VAL  17           HA       VAL  17   3.973 -11.788 -11.788
  132    HB   VAL  17           HB       VAL  17   3.221  -9.046  -9.046
  133   1HG1  VAL  17          1HG1      VAL  17   1.571 -10.960 -10.960
  134   2HG1  VAL  17          3HG1      VAL  17   1.168  -9.267  -9.267
  135   3HG1  VAL  17          2HG1      VAL  17   1.182 -10.406 -10.406
  136   1HG2  VAL  17          1HG2      VAL  17   4.535 -10.081 -10.081
  137   2HG2  VAL  17          3HG2      VAL  17   4.214  -8.401  -8.401
  138   3HG2  VAL  17          2HG2      VAL  17   3.017  -9.323  -9.323
  139    H    ALA  18           H        ALA  18   1.643 -12.389 -12.389
  140    HA   ALA  18           HA       ALA  18   1.634 -12.893 -12.893
  141   1HB   ALA  18          2HB       ALA  18   2.236 -14.855 -14.855
  142   2HB   ALA  18          1HB       ALA  18   0.676 -14.708 -14.708
  143   3HB   ALA  18          3HB       ALA  18   0.743 -15.106 -15.106
  144    H    ASP  19           H        ASP  19  -0.929 -14.346 -14.346
  145    HA   ASP  19           HA       ASP  19  -2.717 -11.994 -11.994
  146   1HB   ASP  19          2HB       ASP  19  -4.016 -13.342 -13.342
  147   2HB   ASP  19          1HB       ASP  19  -2.383 -13.921 -13.921
  148    H    GLY  20           H        GLY  20  -3.886 -11.557 -11.557
  149   1HA   GLY  20          2HA       GLY  20  -5.632 -12.331 -12.331
  150   2HA   GLY  20          1HA       GLY  20  -4.718 -13.830 -13.830
  151    H    VAL  21           H        VAL  21  -2.254 -11.833 -11.833
  152    HA   VAL  21           HA       VAL  21  -2.129 -11.633 -11.633
  153    HB   VAL  21           HB       VAL  21  -0.236 -11.166 -11.166
  154   1HG1  VAL  21          1HG1      VAL  21   0.287 -10.737 -10.737
  155   2HG1  VAL  21          3HG1      VAL  21   1.535 -10.774 -10.774
  156   3HG1  VAL  21          2HG1      VAL  21   0.316  -9.500  -9.500
  157   1HG2  VAL  21          3HG2      VAL  21  -0.881 -13.373 -13.373
  158   2HG2  VAL  21          2HG2      VAL  21   0.146 -13.369 -13.369
  159   3HG2  VAL  21          1HG2      VAL  21   0.826 -12.940 -12.940
  160    H    SER  22           H        SER  22  -1.191  -9.604  -9.604
  161    HA   SER  22           HA       SER  22  -2.356  -7.148  -7.148
  162   1HB   SER  22          2HB       SER  22  -2.077  -6.825  -6.825
  163   2HB   SER  22          1HB       SER  22  -3.578  -7.041  -7.041
  164    HG   SER  22           HG       SER  22  -3.683  -8.855  -8.855
  165    H    LEU  23           H        LEU  23  -0.956  -5.178  -5.178
  166    HA   LEU  23           HA       LEU  23   1.831  -5.654  -5.654
  167   1HB   LEU  23          2HB       LEU  23   0.615  -3.146  -3.146
  168   2HB   LEU  23          1HB       LEU  23   2.093  -3.310  -3.310
  169    HG   LEU  23           HG       LEU  23  -0.691  -3.329  -3.329
  170   1HD1  LEU  23          1HD1      LEU  23   1.052  -1.340  -1.340
  171   2HD1  LEU  23          3HD1      LEU  23   1.694  -2.089  -2.089
  172   3HD1  LEU  23          2HD1      LEU  23   0.023  -1.528  -1.528
  173   1HD2  LEU  23          3HD2      LEU  23   1.777  -4.594  -4.594
  174   2HD2  LEU  23          2HD2      LEU  23   0.180  -5.318  -5.318
  175   3HD2  LEU  23          1HD2      LEU  23   0.430  -4.047  -4.047
  176    H    MET  24           H        MET  24  -0.342  -5.581  -5.581
  177    HA   MET  24           HA       MET  24   1.621  -5.230  -5.230
  178   1HB   MET  24          2HB       MET  24  -0.503  -4.734  -4.734
  179   2HB   MET  24          1HB       MET  24  -1.237  -6.000  -6.000
  180   1HG   MET  24          2HG       MET  24  -1.135  -7.480  -7.480
  181   2HG   MET  24          1HG       MET  24   0.535  -7.056  -7.056
  182   1HE   MET  24          3HE       MET  24  -0.686  -7.922  -7.922
  183   2HE   MET  24          2HE       MET  24   0.439  -6.785  -6.785
  184   3HE   MET  24          1HE       MET  24  -1.245  -6.820  -6.820
  185    H    GLN  25           H        GLN  25  -0.330  -8.024  -8.024
  186    HA   GLN  25           HA       GLN  25   0.777 -10.019 -10.019
  187   1HB   GLN  25          2HB       GLN  25  -1.052 -10.159 -10.159
  188   2HB   GLN  25          1HB       GLN  25   0.043  -9.889  -9.889
  189   1HG   GLN  25          2HG       GLN  25   0.956 -12.040 -12.040
  190   2HG   GLN  25          1HG       GLN  25   0.448 -12.237 -12.237
  191   1HE2  GLN  25          2HE2      GLN  25  -2.952 -12.179 -12.179
  192   2HE2  GLN  25          1HE2      GLN  25  -2.029 -10.776 -10.776
  193    H    ALA  26           H        ALA  26   2.079  -9.645  -9.645
  194    HA   ALA  26           HA       ALA  26   4.401 -11.177 -11.177
  195   1HB   ALA  26          3HB       ALA  26   3.839  -8.744  -8.744
  196   2HB   ALA  26          2HB       ALA  26   5.417  -9.562  -9.562
  197   3HB   ALA  26          1HB       ALA  26   3.931 -10.440 -10.440
  198    H    ALA  27           H        ALA  27   4.205  -7.606  -7.606
  199    HA   ALA  27           HA       ALA  27   6.706  -6.973  -6.973
  200   1HB   ALA  27          1HB       ALA  27   3.897  -5.932  -5.932
  201   2HB   ALA  27          3HB       ALA  27   5.256  -5.123  -5.123
  202   3HB   ALA  27          2HB       ALA  27   5.186  -5.250  -5.250
  203    H    VAL  28           H        VAL  28   3.741  -7.502  -7.502
  204    HA   VAL  28           HA       VAL  28   4.415  -7.538  -7.538
  205    HB   VAL  28           HB       VAL  28   2.637  -8.896  -8.896
  206   1HG1  VAL  28          1HG1      VAL  28   3.605 -10.440 -10.440
  207   2HG1  VAL  28          3HG1      VAL  28   1.886 -10.506 -10.506
  208   3HG1  VAL  28          2HG1      VAL  28   3.077 -11.029 -11.029
  209   1HG2  VAL  28          1HG2      VAL  28   2.142  -6.983  -6.983
  210   2HG2  VAL  28          3HG2      VAL  28   0.962  -8.295  -8.295
  211   3HG2  VAL  28          2HG2      VAL  28   2.115  -8.177  -8.177
  212    H    SER  29           H        SER  29   4.643 -10.549 -10.549
  213    HA   SER  29           HA       SER  29   6.274 -12.032 -12.032
  214   1HB   SER  29          2HB       SER  29   6.853 -12.651 -12.651
  215   2HB   SER  29          1HB       SER  29   5.793 -13.527 -13.527
  216    HG   SER  29           HG       SER  29   5.128 -12.096 -12.096
  217    H    ASN  30           H        ASN  30   7.121 -10.120 -10.120
  218    HA   ASN  30           HA       ASN  30   9.937 -10.486 -10.486
  219   1HB   ASN  30          2HB       ASN  30   7.892  -8.762  -8.762
  220   2HB   ASN  30          1HB       ASN  30   9.452  -7.962  -7.962
  221   1HD2  ASN  30          2HD2      ASN  30   8.978 -10.948 -10.948
  222   2HD2  ASN  30          1HD2      ASN  30   7.710 -10.486 -10.486
  223    H    GLY  31           H        GLY  31   7.922  -8.976  -8.976
  224   1HA   GLY  31          2HA       GLY  31   8.670  -8.002  -8.002
  225   2HA   GLY  31          1HA       GLY  31  10.266  -7.771  -7.771
  226    H    ILE  32           H        ILE  32   8.745  -6.612  -6.612
  227    HA   ILE  32           HA       ILE  32   9.184  -3.907  -3.907
  228    HB   ILE  32           HB       ILE  32   6.896  -5.398  -5.398
  229   1HG1  ILE  32          2HG1      ILE  32   9.519  -4.337  -4.337
  230   2HG1  ILE  32          1HG1      ILE  32   9.147  -6.032  -6.032
  231   1HG2  ILE  32          3HG2      ILE  32   7.799  -2.522  -2.522
  232   2HG2  ILE  32          2HG2      ILE  32   6.825  -3.345  -3.345
  233   3HG2  ILE  32          1HG2      ILE  32   6.185  -3.107  -3.107
  234   1HD1  ILE  32          1HD1      ILE  32   7.022  -5.008  -5.008
  235   2HD1  ILE  32          3HD1      ILE  32   8.527  -4.487  -4.487
  236   3HD1  ILE  32          2HD1      ILE  32   8.236  -6.201  -6.201
  237    H    TYR  33           H        TYR  33   6.338  -5.677  -5.677
  238    HA   TYR  33           HA       TYR  33   5.423  -3.144  -3.144
  239   1HB   TYR  33          2HB       TYR  33   4.059  -5.710  -5.710
  240   2HB   TYR  33          1HB       TYR  33   3.250  -4.434  -4.434
  241    HD1  TYR  33          2HD       TYR  33   4.350  -1.995  -1.995
  242    HD2  TYR  33          1HD       TYR  33   3.275  -5.592  -5.592
  243    HE1  TYR  33          2HE       TYR  33   4.015  -0.694  -0.694
  244    HE2  TYR  33          1HE       TYR  33   2.962  -4.310  -4.310
  245    HH   TYR  33           HH       TYR  33   4.077  -1.164  -1.164
  246    H    ASP  34           H        ASP  34   7.396  -4.017  -4.017
  247    HA   ASP  34           HA       ASP  34   6.652  -6.024  -6.024
  248   1HB   ASP  34          2HB       ASP  34   8.565  -5.147  -5.147
  249   2HB   ASP  34          1HB       ASP  34   8.960  -5.054  -5.054
  250    H    ILE  35           H        ILE  35   5.524  -2.919  -2.919
  251    HA   ILE  35           HA       ILE  35   4.741  -2.047  -2.047
  252    HB   ILE  35           HB       ILE  35   5.272  -0.465  -0.465
  253   1HG1  ILE  35          2HG1      ILE  35   2.307  -0.196  -0.196
  254   2HG1  ILE  35          1HG1      ILE  35   3.102  -0.264  -0.264
  255   1HG2  ILE  35          1HG2      ILE  35   3.899  -2.356  -2.356
  256   2HG2  ILE  35          3HG2      ILE  35   3.018  -0.834  -0.834
  257   3HG2  ILE  35          2HG2      ILE  35   4.734  -0.894  -0.894
  258   1HD1  ILE  35          1HD1      ILE  35   4.749   1.463   1.463
  259   2HD1  ILE  35          3HD1      ILE  35   3.215   1.840   1.840
  260   3HD1  ILE  35          2HD1      ILE  35   3.368   1.979   1.979
  261    H    VAL  36           H        VAL  36   3.205  -3.362  -3.362
  262    HA   VAL  36           HA       VAL  36   1.035  -4.604  -4.604
  263    HB   VAL  36           HB       VAL  36   1.744  -4.509  -4.509
  264   1HG1  VAL  36          2HG1      VAL  36  -0.483  -5.812  -5.812
  265   2HG1  VAL  36          1HG1      VAL  36   0.223  -6.676  -6.676
  266   3HG1  VAL  36          3HG1      VAL  36  -0.503  -5.087  -5.087
  267   1HG2  VAL  36          3HG2      VAL  36   2.493  -6.226  -6.226
  268   2HG2  VAL  36          2HG2      VAL  36   3.412  -5.834  -5.834
  269   3HG2  VAL  36          1HG2      VAL  36   2.147  -7.061  -7.061
  270    H    GLY  37           H        GLY  37  -0.998  -3.724  -3.724
  271   1HA   GLY  37          2HA       GLY  37  -1.689  -1.398  -1.398
  272   2HA   GLY  37          1HA       GLY  37  -2.150  -1.478  -1.478
  273    H    ASP  38           H        ASP  38  -4.365  -1.655  -1.655
  274    HA   ASP  38           HA       ASP  38  -5.514  -3.785  -3.785
  275   1HB   ASP  38          2HB       ASP  38  -7.638  -2.211  -2.211
  276   2HB   ASP  38          1HB       ASP  38  -6.666  -1.955  -1.955
  277    H    CYS  39           H        CYS  39  -4.387  -4.330  -4.330
  278    HA   CYS  39           HA       CYS  39  -6.774  -4.919  -4.919
  279   1HB   CYS  39          2HB       CYS  39  -4.919  -5.276  -5.276
  280   2HB   CYS  39          1HB       CYS  39  -5.161  -3.630  -3.630
  281    H    GLY  40           H        GLY  40  -3.881  -6.316  -6.316
  282   1HA   GLY  40          2HA       GLY  40  -3.218  -8.570  -8.570
  283   2HA   GLY  40          1HA       GLY  40  -4.933  -8.838  -8.838
  284    H    GLY  41           H        GLY  41  -3.767  -7.545  -7.545
  285   1HA   GLY  41          2HA       GLY  41  -3.619  -8.544  -8.544
  286   2HA   GLY  41          1HA       GLY  41  -3.905 -10.118 -10.118
  287    H    SER  42           H        SER  42  -5.976  -7.320  -7.320
  288    HA   SER  42           HA       SER  42  -8.077  -8.638  -8.638
  289   1HB   SER  42          2HB       SER  42  -8.483  -7.363  -7.363
  290   2HB   SER  42          1HB       SER  42  -9.646  -8.326  -8.326
  291    HG   SER  42           HG       SER  42  -7.328  -9.111  -9.111
  292    H    ALA  43           H        ALA  43  -6.273  -5.943  -5.943
  293    HA   ALA  43           HA       ALA  43  -6.522  -3.840  -3.840
  294   1HB   ALA  43          2HB       ALA  43  -8.318  -5.573  -5.573
  295   2HB   ALA  43          1HB       ALA  43  -9.321  -4.202  -4.202
  296   3HB   ALA  43          3HB       ALA  43  -7.926  -3.957  -3.957
  297    H    SER  44           H        SER  44  -6.948  -3.906  -3.906
  298    HA   SER  44           HA       SER  44  -9.032  -1.788  -1.788
  299   1HB   SER  44          2HB       SER  44  -8.572  -4.345  -4.345
  300   2HB   SER  44          1HB       SER  44  -9.191  -2.947  -2.947
  301    HG   SER  44           HG       SER  44 -10.898  -2.851  -2.851
  302    H    CYS  45           H        CYS  45  -6.270  -1.338  -1.338
  303    HA   CYS  45           HA       CYS  45  -5.196  -0.807  -0.807
  304   1HB   CYS  45          2HB       CYS  45  -2.991  -0.557  -0.557
  305   2HB   CYS  45          1HB       CYS  45  -3.575  -2.095  -2.095
  306    H    ALA  46           H        ALA  46  -4.032   1.034   1.034
  307    HA   ALA  46           HA       ALA  46  -4.696   3.462   3.462
  308   1HB   ALA  46          2HB       ALA  46  -4.335   2.887   2.887
  309   2HB   ALA  46          1HB       ALA  46  -4.248   4.535   4.535
  310   3HB   ALA  46          3HB       ALA  46  -5.730   3.598   3.598
  311    H    THR  47           H        THR  47  -2.218   1.330   1.330
  312    HA   THR  47           HA       THR  47  -0.101   3.441   3.441
  313    HB   THR  47           HB       THR  47   1.257   1.818   1.818
  314    HG1  THR  47          1HG       THR  47  -0.841  -0.042  -0.042
  315   1HG2  THR  47          3HG2      THR  47  -0.580   2.948   2.948
  316   2HG2  THR  47          2HG2      THR  47  -1.548   1.492   1.492
  317   3HG2  THR  47          1HG2      THR  47  -0.038   1.415   1.415
  318    H    CYS  48           H        CYS  48  -1.229   0.497   0.497
  319    HA   CYS  48           HA       CYS  48   1.156   0.383   0.383
  320   1HB   CYS  48          2HB       CYS  48  -1.398  -0.992  -0.992
  321   2HB   CYS  48          1HB       CYS  48   0.247  -1.542  -1.542
  322    H    HIS  49           H        HIS  49  -0.309   2.956   2.956
  323    HA   HIS  49           HA       HIS  49  -1.897   3.250   3.250
  324   1HB   HIS  49          2HB       HIS  49  -1.511   4.884   4.884
  325   2HB   HIS  49          1HB       HIS  49   0.083   5.204   5.204
  326    HD1  HIS  49          1HD       HIS  49  -1.840   7.546   7.546
  327    HD2  HIS  49          2HD       HIS  49  -1.656   4.971   4.971
  328    HE1  HIS  49          1HE       HIS  49  -2.844   8.794   8.794
  329    H    VAL  50           H        VAL  50  -1.221   3.235   3.235
  330    HA   VAL  50           HA       VAL  50   1.698   3.551   3.551
  331    HB   VAL  50           HB       VAL  50   1.475   1.603   1.603
  332   1HG1  VAL  50          3HG1      VAL  50   0.868   1.099   1.099
  333   2HG1  VAL  50          2HG1      VAL  50   1.513  -0.098  -0.098
  334   3HG1  VAL  50          1HG1      VAL  50   2.465   1.329   1.329
  335   1HG2  VAL  50          3HG2      VAL  50  -1.065   1.880   1.880
  336   2HG2  VAL  50          2HG2      VAL  50  -0.465   0.225   0.225
  337   3HG2  VAL  50          1HG2      VAL  50  -1.096   1.054   1.054
  338    H    TYR  51           H        TYR  51   2.143   4.183   4.183
  339    HA   TYR  51           HA       TYR  51  -0.195   5.373   5.373
  340   1HB   TYR  51          2HB       TYR  51   2.579   6.249   6.249
  341   2HB   TYR  51          1HB       TYR  51   1.845   6.871   6.871
  342    HD1  TYR  51          1HD       TYR  51  -0.815   6.170   6.170
  343    HD2  TYR  51          2HD       TYR  51   2.370   9.018   9.018
  344    HE1  TYR  51          1HE       TYR  51  -2.102   7.867   7.867
  345    HE2  TYR  51          2HE       TYR  51   1.065  10.715  10.715
  346    HH   TYR  51           HH       TYR  51  -1.803   9.888   9.888
  347    H    VAL  52           H        VAL  52  -0.611   3.973   3.973
  348    HA   VAL  52           HA       VAL  52   1.531   2.512   2.512
  349    HB   VAL  52           HB       VAL  52  -1.454   2.581   2.581
  350   1HG1  VAL  52          1HG1      VAL  52   0.442   1.449   1.449
  351   2HG1  VAL  52          3HG1      VAL  52   0.253   0.166   0.166
  352   3HG1  VAL  52          2HG1      VAL  52  -1.141   0.700   0.700
  353   1HG2  VAL  52          1HG2      VAL  52   0.094   1.566   1.566
  354   2HG2  VAL  52          3HG2      VAL  52  -1.656   1.671   1.671
  355   3HG2  VAL  52          2HG2      VAL  52  -0.781   0.275   0.275
  356    H    ASN  53           H        ASN  53   2.033   2.957   2.957
  357    HA   ASN  53           HA       ASN  53   1.498   5.709   5.709
  358   1HB   ASN  53          2HB       ASN  53   2.626   4.983   4.983
  359   2HB   ASN  53          1HB       ASN  53   3.569   4.617   4.617
  360   1HD2  ASN  53          2HD2      ASN  53   1.909   1.122   1.122
  361   2HD2  ASN  53          1HD2      ASN  53   1.121   2.350   2.350
  362    H    GLU  54           H        GLU  54  -0.258   6.439   6.439
  363    HA   GLU  54           HA       GLU  54  -2.674   5.300   5.300
  364   1HB   GLU  54          2HB       GLU  54  -2.825   6.822   6.822
  365   2HB   GLU  54          1HB       GLU  54  -2.262   7.587   7.587
  366   1HG   GLU  54          2HG       GLU  54   0.080   7.284   7.284
  367   2HG   GLU  54          1HG       GLU  54  -0.491   6.541   6.541
  368    H    ALA  55           H        ALA  55   0.099   4.749   4.749
  369    HA   ALA  55           HA       ALA  55  -1.203   3.442   3.442
  370   1HB   ALA  55          3HB       ALA  55   1.492   3.313   3.313
  371   2HB   ALA  55          2HB       ALA  55   1.118   2.163   2.163
  372   3HB   ALA  55          1HB       ALA  55   1.066   3.897   3.897
  373    H    PHE  56           H        PHE  56  -0.848   2.391   2.391
  374    HA   PHE  56           HA       PHE  56  -1.822  -0.337  -0.337
  375   1HB   PHE  56          2HB       PHE  56   0.185   0.564   0.564
  376   2HB   PHE  56          1HB       PHE  56  -0.463  -1.073  -1.073
  377    HD1  PHE  56          1HD       PHE  56   1.352   1.483   1.483
  378    HD2  PHE  56          2HD       PHE  56   0.428  -2.724  -2.724
  379    HE1  PHE  56          1HE       PHE  56   2.945   0.954   0.954
  380    HE2  PHE  56          2HE       PHE  56   2.018  -3.204  -3.204
  381    HZ   PHE  56           HZ       PHE  56   3.280  -1.390  -1.390
  382    H    THR  57           H        THR  57  -2.268   2.478   2.478
  383    HA   THR  57           HA       THR  57  -3.927   1.171   1.171
  384    HB   THR  57           HB       THR  57  -3.969   3.278   3.278
  385    HG1  THR  57          1HG       THR  57  -4.133   4.216   4.216
  386   1HG2  THR  57          2HG2      THR  57  -1.558   2.689   2.689
  387   2HG2  THR  57          1HG2      THR  57  -1.883   4.321   4.321
  388   3HG2  THR  57          3HG2      THR  57  -1.833   4.003   4.003
  389    H    ASP  58           H        ASP  58  -4.364   2.864   2.864
  390    HA   ASP  58           HA       ASP  58  -7.250   3.153   3.153
  391   1HB   ASP  58          2HB       ASP  58  -7.011   3.986   3.986
  392   2HB   ASP  58          1HB       ASP  58  -5.533   4.461   4.461
  393    H    LYS  59           H        LYS  59  -5.042   0.664   0.664
  394    HA   LYS  59           HA       LYS  59  -7.058  -0.864  -0.864
  395   1HB   LYS  59          2HB       LYS  59  -4.274  -1.493  -1.493
  396   2HB   LYS  59          1HB       LYS  59  -5.186  -2.510  -2.510
  397   1HG   LYS  59          2HG       LYS  59  -4.167   0.298   0.298
  398   2HG   LYS  59          1HG       LYS  59  -3.726  -1.170  -1.170
  399   1HD   LYS  59          2HD       LYS  59  -6.419  -1.197  -1.197
  400   2HD   LYS  59          1HD       LYS  59  -6.129   0.542   0.542
  401   1HE   LYS  59          2HE       LYS  59  -5.304   0.510   0.510
  402   2HE   LYS  59          1HE       LYS  59  -4.096  -0.701  -0.701
  403   1HZ   LYS  59          2HZ       LYS  59  -5.878  -2.390  -2.390
  404   2HZ   LYS  59          1HZ       LYS  59  -6.923  -1.211  -1.211
  405   3HZ   LYS  59          3HZ       LYS  59  -5.543  -1.674  -1.674
  406    H    VAL  60           H        VAL  60  -5.242  -1.400  -1.400
  407    HA   VAL  60           HA       VAL  60  -6.377  -3.704  -3.704
  408    HB   VAL  60           HB       VAL  60  -6.072  -2.512  -2.512
  409   1HG1  VAL  60          3HG1      VAL  60  -3.885  -2.347  -2.347
  410   2HG1  VAL  60          2HG1      VAL  60  -3.623  -2.196  -2.196
  411   3HG1  VAL  60          1HG1      VAL  60  -4.221  -3.712  -3.712
  412   1HG2  VAL  60          2HG2      VAL  60  -6.721  -0.268  -0.268
  413   2HG2  VAL  60          1HG2      VAL  60  -5.189  -0.261  -0.261
  414   3HG2  VAL  60          3HG2      VAL  60  -5.198  -0.241  -0.241
  415    HA   PRO  61           HA       PRO  61 -10.663  -3.137  -3.137
  416   1HB   PRO  61          2HB       PRO  61 -10.945  -3.975  -3.975
  417   2HB   PRO  61          1HB       PRO  61 -10.721  -5.073  -5.073
  418   1HG   PRO  61          2HG       PRO  61  -8.692  -4.035  -4.035
  419   2HG   PRO  61          1HG       PRO  61  -8.914  -5.685  -5.685
  420   1HD   PRO  61          2HD       PRO  61  -7.001  -4.107  -4.107
  421   2HD   PRO  61          1HD       PRO  61  -7.932  -5.201  -5.201
  422    H    ALA  62           H        ALA  62 -12.213  -1.964  -1.964
  423    HA   ALA  62           HA       ALA  62 -11.286   0.668   0.668
  424   1HB   ALA  62          1HB       ALA  62 -13.483  -0.550  -0.550
  425   2HB   ALA  62          3HB       ALA  62 -14.100  -0.002  -0.002
  426   3HB   ALA  62          2HB       ALA  62 -13.364   1.155   1.155
  427    H    ALA  63           H        ALA  63 -10.854   1.225   1.225
  428    HA   ALA  63           HA       ALA  63 -11.227  -0.536  -0.536
  429   1HB   ALA  63          2HB       ALA  63  -9.460   1.259   1.259
  430   2HB   ALA  63          1HB       ALA  63 -10.707   2.450   2.450
  431   3HB   ALA  63          3HB       ALA  63 -10.208   1.288   1.288
  432    H    ASN  64           H        ASN  64 -12.791  -0.375  -0.375
  433    HA   ASN  64           HA       ASN  64 -15.231   1.160   1.160
  434   1HB   ASN  64          2HB       ASN  64 -16.154  -0.393  -0.393
  435   2HB   ASN  64          1HB       ASN  64 -15.791  -1.078  -1.078
  436   1HD2  ASN  64          2HD2      ASN  64 -12.821  -1.730  -1.730
  437   2HD2  ASN  64          1HD2      ASN  64 -13.424  -0.159  -0.159
  438    H    GLU  65           H        GLU  65 -16.545   1.520   1.520
  439    HA   GLU  65           HA       GLU  65 -15.522   3.866   3.866
  440   1HB   GLU  65          2HB       GLU  65 -17.356   3.601   3.601
  441   2HB   GLU  65          1HB       GLU  65 -17.863   2.824   2.824
  442   1HG   GLU  65          2HG       GLU  65 -16.582   0.767   0.767
  443   2HG   GLU  65          1HG       GLU  65 -17.346   1.634   1.634
  444    H    ARG  66           H        ARG  66 -14.686   0.550   0.550
  445    HA   ARG  66           HA       ARG  66 -13.729   0.852   0.852
  446   1HB   ARG  66          2HB       ARG  66 -13.814  -1.124  -1.124
  447   2HB   ARG  66          1HB       ARG  66 -12.122  -0.942  -0.942
  448   1HG   ARG  66          2HG       ARG  66 -12.630  -1.341  -1.341
  449   2HG   ARG  66          1HG       ARG  66 -14.370  -1.316  -1.316
  450   1HD   ARG  66          2HD       ARG  66 -12.397  -3.346  -3.346
  451   2HD   ARG  66          1HD       ARG  66 -13.589  -3.649  -3.649
  452    HE   ARG  66           HE       ARG  66 -15.045  -2.551  -2.551
  453   1HH1  ARG  66          1HH1      ARG  66 -13.452  -5.421  -5.421
  454   2HH1  ARG  66          2HH1      ARG  66 -14.051  -6.373  -6.373
  455   1HH2  ARG  66          1HH2      ARG  66 -15.644  -3.709  -3.709
  456   2HH2  ARG  66          2HH2      ARG  66 -15.292  -5.402  -5.402
  457    H    GLU  67           H        GLU  67 -11.936   0.851   0.851
  458    HA   GLU  67           HA       GLU  67  -9.424   1.573   1.573
  459   1HB   GLU  67          2HB       GLU  67  -9.764   0.707   0.707
  460   2HB   GLU  67          1HB       GLU  67 -10.792   2.079   2.079
  461   1HG   GLU  67          2HG       GLU  67  -8.518   3.350   3.350
  462   2HG   GLU  67          1HG       GLU  67  -7.848   1.896   1.896
  463    H    ILE  68           H        ILE  68 -11.915   3.735   3.735
  464    HA   ILE  68           HA       ILE  68 -10.571   6.155   6.155
  465    HB   ILE  68           HB       ILE  68 -13.413   5.239   5.239
  466   1HG1  ILE  68          2HG1      ILE  68 -13.665   6.374   6.374
  467   2HG1  ILE  68          1HG1      ILE  68 -12.127   7.214   7.214
  468   1HG2  ILE  68          3HG2      ILE  68 -12.393   7.831   7.831
  469   2HG2  ILE  68          2HG2      ILE  68 -13.692   7.967   7.967
  470   3HG2  ILE  68          1HG2      ILE  68 -13.946   7.051   7.051
  471   1HD1  ILE  68          3HD1      ILE  68 -10.970   4.995   4.995
  472   2HD1  ILE  68          2HD1      ILE  68 -12.519   4.232   4.232
  473   3HD1  ILE  68          1HD1      ILE  68 -11.803   5.354   5.354
  474    H    GLY  69           H        GLY  69 -11.834   4.297   4.297
  475   1HA   GLY  69          2HA       GLY  69 -11.364   6.593   6.593
  476   2HA   GLY  69          1HA       GLY  69 -12.029   5.038   5.038
  477    H    MET  70           H        MET  70 -10.397   3.167   3.167
  478    HA   MET  70           HA       MET  70  -8.185   3.361   3.361
  479   1HB   MET  70          2HB       MET  70  -7.346   1.413   1.413
  480   2HB   MET  70          1HB       MET  70  -8.976   1.229   1.229
  481   1HG   MET  70          2HG       MET  70  -9.561   2.487   2.487
  482   2HG   MET  70          1HG       MET  70  -8.034   1.777   1.777
  483   1HE   MET  70          2HE       MET  70  -7.634   0.072   0.072
  484   2HE   MET  70          1HE       MET  70  -7.636  -1.117  -1.117
  485   3HE   MET  70          3HE       MET  70  -8.537  -1.447  -1.447
  486    H    LEU  71           H        LEU  71  -8.335   3.856   3.856
  487    HA   LEU  71           HA       LEU  71  -5.516   4.365   4.365
  488   1HB   LEU  71          2HB       LEU  71  -7.369   3.528   3.528
  489   2HB   LEU  71          1HB       LEU  71  -7.918   5.209   5.209
  490    HG   LEU  71           HG       LEU  71  -5.658   3.935   3.935
  491   1HD1  LEU  71          1HD1      LEU  71  -7.820   5.758   5.758
  492   2HD1  LEU  71          3HD1      LEU  71  -6.311   6.565   6.565
  493   3HD1  LEU  71          2HD1      LEU  71  -6.737   5.023   5.023
  494   1HD2  LEU  71          1HD2      LEU  71  -4.502   5.340   5.340
  495   2HD2  LEU  71          3HD2      LEU  71  -4.131   5.774   5.774
  496   3HD2  LEU  71          2HD2      LEU  71  -5.271   6.746   6.746
  497    H    GLU  72           H        GLU  72  -8.299   6.189   6.189
  498    HA   GLU  72           HA       GLU  72  -6.998   8.828   8.828
  499   1HB   GLU  72          2HB       GLU  72  -9.306   8.810   8.810
  500   2HB   GLU  72          1HB       GLU  72  -9.679   7.749   7.749
  501   1HG   GLU  72          2HG       GLU  72  -9.854   9.468   9.468
  502   2HG   GLU  72          1HG       GLU  72  -8.446  10.303  10.303
  503    H    CYS  73           H        CYS  73  -7.229   6.341   6.341
  504    HA   CYS  73           HA       CYS  73  -7.364   7.667   7.667
  505   1HB   CYS  73          2HB       CYS  73  -5.807   5.325   5.325
  506   2HB   CYS  73          1HB       CYS  73  -5.552   5.837   5.837
  507    HG   CYS  73           HG       CYS  73  -8.376   5.644   5.644
  508    H    VAL  74           H        VAL  74  -4.461   7.167   7.167
  509    HA   VAL  74           HA       VAL  74  -2.958   9.130   9.130
  510    HB   VAL  74           HB       VAL  74  -1.145   8.444   8.444
  511   1HG1  VAL  74          1HG1      VAL  74  -2.486   6.515   6.515
  512   2HG1  VAL  74          3HG1      VAL  74  -0.988   6.110   6.110
  513   3HG1  VAL  74          2HG1      VAL  74  -1.036   7.483   7.483
  514   1HG2  VAL  74          2HG2      VAL  74  -3.025   7.580   7.580
  515   2HG2  VAL  74          1HG2      VAL  74  -1.553   6.621   6.621
  516   3HG2  VAL  74          3HG2      VAL  74  -3.010   6.144   6.144
  517    H    THR  75           H        THR  75  -4.040  11.091  11.091
  518    HA   THR  75           HA       THR  75  -4.951  12.016  12.016
  519    HB   THR  75           HB       THR  75  -5.098  13.137  13.137
  520    HG1  THR  75          1HG       THR  75  -5.348  14.290  14.290
  521   1HG2  THR  75          3HG2      THR  75  -2.279  12.869  12.869
  522   2HG2  THR  75          2HG2      THR  75  -2.620  14.599  14.599
  523   3HG2  THR  75          1HG2      THR  75  -3.239  13.598  13.598
  524    H    ALA  76           H        ALA  76  -3.593  11.288  11.288
  525    HA   ALA  76           HA       ALA  76  -0.986  12.753  12.753
  526   1HB   ALA  76          1HB       ALA  76  -1.136  10.146  10.146
  527   2HB   ALA  76          3HB       ALA  76  -1.611  10.143  10.143
  528   3HB   ALA  76          2HB       ALA  76  -0.042  10.791  10.791
  529    H    GLU  77           H        GLU  77  -3.272  14.026  14.026
  530    HA   GLU  77           HA       GLU  77  -4.459  14.756  14.756
  531   1HB   GLU  77          2HB       GLU  77  -2.822  15.511  15.511
  532   2HB   GLU  77          1HB       GLU  77  -2.259  15.875  15.875
  533   1HG   GLU  77          2HG       GLU  77  -0.746  14.014  14.014
  534   2HG   GLU  77          1HG       GLU  77  -1.453  13.369  13.369
  535    H    LEU  78           H        LEU  78  -5.196  12.322  12.322
  536    HA   LEU  78           HA       LEU  78  -4.651  10.158  10.158
  537   1HB   LEU  78          2HB       LEU  78  -6.842  11.288  11.288
  538   2HB   LEU  78          1HB       LEU  78  -7.342  11.219  11.219
  539    HG   LEU  78           HG       LEU  78  -6.353   8.780   8.780
  540   1HD1  LEU  78          1HD1      LEU  78  -6.662   9.604   9.604
  541   2HD1  LEU  78          3HD1      LEU  78  -7.056   7.945   7.945
  542   3HD1  LEU  78          2HD1      LEU  78  -5.435   8.577   8.577
  543   1HD2  LEU  78          2HD2      LEU  78  -8.970   9.923   9.923
  544   2HD2  LEU  78          1HD2      LEU  78  -8.572   8.658   8.658
  545   3HD2  LEU  78          3HD2      LEU  78  -8.727   8.265   8.265
  546    H    LYS  79           H        LYS  79  -3.932   9.811   9.811
  547    HA   LYS  79           HA       LYS  79  -4.329  11.820  11.820
  548   1HB   LYS  79          2HB       LYS  79  -3.088   9.079   9.079
  549   2HB   LYS  79          1HB       LYS  79  -2.656  10.562  10.562
  550   1HG   LYS  79          2HG       LYS  79  -2.327  10.851  10.851
  551   2HG   LYS  79          1HG       LYS  79  -1.376   9.513   9.513
  552   1HD   LYS  79          2HD       LYS  79   0.123  11.016  11.016
  553   2HD   LYS  79          1HD       LYS  79  -1.078  11.559  11.559
  554   1HE   LYS  79          2HE       LYS  79  -2.039  12.977  12.977
  555   2HE   LYS  79          1HE       LYS  79  -0.455  12.708  12.708
  556   1HZ   LYS  79          3HZ       LYS  79   0.551  13.411  13.411
  557   2HZ   LYS  79          2HZ       LYS  79  -0.996  13.882  13.882
  558   3HZ   LYS  79          1HZ       LYS  79  -0.273  14.652  14.652
  559    HA   PRO  80           HA       PRO  80  -7.656   9.756   9.756
  560   1HB   PRO  80          2HB       PRO  80  -6.804   9.464   9.464
  561   2HB   PRO  80          1HB       PRO  80  -7.343  11.018  11.018
  562   1HG   PRO  80          2HG       PRO  80  -4.576   9.972   9.972
  563   2HG   PRO  80          1HG       PRO  80  -5.218  11.600  11.600
  564   1HD   PRO  80          2HD       PRO  80  -3.777  11.005  11.005
  565   2HD   PRO  80          1HD       PRO  80  -5.102  12.186  12.186
  566    H    ASN  81           H        ASN  81  -4.453   8.416   8.416
  567    HA   ASN  81           HA       ASN  81  -5.598   5.697   5.697
  568   1HB   ASN  81          2HB       ASN  81  -3.146   5.256   5.256
  569   2HB   ASN  81          1HB       ASN  81  -4.035   6.311   6.311
  570   1HD2  ASN  81          2HD2      ASN  81  -0.694   7.711   7.711
  571   2HD2  ASN  81          1HD2      ASN  81  -1.074   6.072   6.072
  572    H    SER  82           H        SER  82  -4.382   7.589   7.589
  573    HA   SER  82           HA       SER  82  -2.612   5.976   5.976
  574   1HB   SER  82          2HB       SER  82  -5.043   7.528   7.528
  575   2HB   SER  82          1HB       SER  82  -3.707   7.018   7.018
  576    HG   SER  82           HG       SER  82  -2.516   8.154   8.154
  577    H    ARG  83           H        ARG  83  -2.814   4.140   4.140
  578    HA   ARG  83           HA       ARG  83  -5.469   2.943   2.943
  579   1HB   ARG  83          2HB       ARG  83  -3.515   2.086   2.086
  580   2HB   ARG  83          1HB       ARG  83  -4.174   0.787   0.787
  581   1HG   ARG  83          2HG       ARG  83  -6.110   2.791   2.791
  582   2HG   ARG  83          1HG       ARG  83  -5.414   1.659   1.659
  583   1HD   ARG  83          2HD       ARG  83  -6.100   0.131   0.131
  584   2HD   ARG  83          1HD       ARG  83  -7.494   1.166   1.166
  585    HE   ARG  83           HE       ARG  83  -6.287  -0.030  -0.030
  586   1HH1  ARG  83          1HH1      ARG  83  -8.731  -0.174  -0.174
  587   2HH1  ARG  83          2HH1      ARG  83  -9.607  -1.448  -1.448
  588   1HH2  ARG  83          1HH2      ARG  83  -7.353  -1.794  -1.794
  589   2HH2  ARG  83          2HH2      ARG  83  -8.833  -2.360  -2.360
  590    H    LEU  84           H        LEU  84  -5.220   0.963   0.963
  591    HA   LEU  84           HA       LEU  84  -3.046   1.332   1.332
  592   1HB   LEU  84          2HB       LEU  84  -5.763   0.431   0.431
  593   2HB   LEU  84          1HB       LEU  84  -4.775  -0.901  -0.901
  594    HG   LEU  84           HG       LEU  84  -4.938   1.902   1.902
  595   1HD1  LEU  84          2HD1      LEU  84  -5.968  -0.793  -0.793
  596   2HD1  LEU  84          1HD1      LEU  84  -5.323   0.122   0.122
  597   3HD1  LEU  84          3HD1      LEU  84  -6.652   0.790   0.790
  598   1HD2  LEU  84          3HD2      LEU  84  -2.920  -0.270  -0.270
  599   2HD2  LEU  84          2HD2      LEU  84  -2.711   1.473   1.473
  600   3HD2  LEU  84          1HD2      LEU  84  -3.404   0.524   0.524
  601    H    SER  85           H        SER  85  -1.378  -0.249  -0.249
  602    HA   SER  85           HA       SER  85  -0.419  -1.800  -1.800
  603   1HB   SER  85          2HB       SER  85   1.000  -2.743  -2.743
  604   2HB   SER  85          1HB       SER  85   0.478  -1.297  -1.297
  605    HG   SER  85           HG       SER  85   0.358  -3.436  -3.436
  606    H    CYS  86           H        CYS  86  -2.656  -2.829  -2.829
  607    HA   CYS  86           HA       CYS  86  -3.146  -5.426  -5.426
  608   1HB   CYS  86          2HB       CYS  86  -4.550  -4.467  -4.467
  609   2HB   CYS  86          1HB       CYS  86  -4.013  -6.087  -6.087
  610    H    GLN  87           H        GLN  87  -4.030  -3.079  -3.079
  611    HA   GLN  87           HA       GLN  87  -6.991  -3.393  -3.393
  612   1HB   GLN  87          2HB       GLN  87  -6.186  -1.205  -1.205
  613   2HB   GLN  87          1HB       GLN  87  -5.290  -1.005  -1.005
  614   1HG   GLN  87          2HG       GLN  87  -7.419   0.211   0.211
  615   2HG   GLN  87          1HG       GLN  87  -7.411  -1.123  -1.123
  616   1HE2  GLN  87          2HE2      GLN  87  -9.357  -2.469  -2.469
  617   2HE2  GLN  87          1HE2      GLN  87  -7.680  -2.203  -2.203
  618    H    ILE  88           H        ILE  88  -4.281  -2.777  -2.777
  619    HA   ILE  88           HA       ILE  88  -6.015  -3.271  -3.271
  620    HB   ILE  88           HB       ILE  88  -3.091  -2.959  -2.959
  621   1HG1  ILE  88          2HG1      ILE  88  -4.820  -0.781  -0.781
  622   2HG1  ILE  88          1HG1      ILE  88  -3.313  -1.430  -1.430
  623   1HG2  ILE  88          3HG2      ILE  88  -5.518  -1.588  -1.588
  624   2HG2  ILE  88          2HG2      ILE  88  -3.860  -1.362  -1.362
  625   3HG2  ILE  88          1HG2      ILE  88  -4.637  -2.937  -2.937
  626   1HD1  ILE  88          3HD1      ILE  88  -2.325  -0.656  -0.656
  627   2HD1  ILE  88          2HD1      ILE  88  -3.730   0.410   0.410
  628   3HD1  ILE  88          1HD1      ILE  88  -2.557   0.521   0.521
  629    H    ILE  89           H        ILE  89  -5.642  -4.984  -4.984
  630    HA   ILE  89           HA       ILE  89  -4.061  -7.271  -7.271
  631    HB   ILE  89           HB       ILE  89  -6.562  -6.995  -6.995
  632   1HG1  ILE  89          2HG1      ILE  89  -7.025  -7.029  -7.029
  633   2HG1  ILE  89          1HG1      ILE  89  -7.358  -8.664  -8.664
  634   1HG2  ILE  89          2HG2      ILE  89  -5.043  -8.668  -8.668
  635   2HG2  ILE  89          1HG2      ILE  89  -4.993  -9.539  -9.539
  636   3HG2  ILE  89          3HG2      ILE  89  -6.512  -9.397  -9.397
  637   1HD1  ILE  89          3HD1      ILE  89  -4.940  -9.219  -9.219
  638   2HD1  ILE  89          2HD1      ILE  89  -4.934  -7.677  -7.677
  639   3HD1  ILE  89          1HD1      ILE  89  -6.068  -8.943  -8.943
  640    H    MET  90           H        MET  90  -3.029  -8.633  -8.633
  641    HA   MET  90           HA       MET  90  -2.108  -6.844  -6.844
  642   1HB   MET  90          2HB       MET  90  -0.691  -8.167  -8.167
  643   2HB   MET  90          1HB       MET  90  -0.620  -9.323  -9.323
  644   1HG   MET  90          2HG       MET  90   0.438  -6.509  -6.509
  645   2HG   MET  90          1HG       MET  90   1.248  -7.975  -7.975
  646   1HE   MET  90          1HE       MET  90   1.398  -5.400  -5.400
  647   2HE   MET  90          3HE       MET  90   1.583  -5.759  -5.759
  648   3HE   MET  90          2HE       MET  90   0.254  -4.744  -4.744
  649    H    THR  91           H        THR  91  -2.732  -7.378  -7.378
  650    HA   THR  91           HA       THR  91  -3.855 -10.109 -10.109
  651    HB   THR  91           HB       THR  91  -4.489  -8.523  -8.523
  652    HG1  THR  91          1HG       THR  91  -5.220  -6.579  -6.579
  653   1HG2  THR  91          3HG2      THR  91  -6.033  -9.906  -9.906
  654   2HG2  THR  91          2HG2      THR  91  -5.966  -8.712  -8.712
  655   3HG2  THR  91          1HG2      THR  91  -6.685  -8.287  -8.287
  656    HA   PRO  92           HA       PRO  92  -0.525 -11.064 -11.064
  657   1HB   PRO  92          2HB       PRO  92  -1.777 -12.583 -12.583
  658   2HB   PRO  92          1HB       PRO  92  -1.451 -13.161 -13.161
  659   1HG   PRO  92          2HG       PRO  92  -3.981 -12.157 -12.157
  660   2HG   PRO  92          1HG       PRO  92  -3.718 -13.439 -13.439
  661   1HD   PRO  92          2HD       PRO  92  -4.588 -10.910 -10.910
  662   2HD   PRO  92          1HD       PRO  92  -3.746 -11.986 -11.986
  663    H    GLU  93           H        GLU  93  -2.972  -8.980  -8.980
  664    HA   GLU  93           HA       GLU  93  -1.786  -8.473  -8.473
  665   1HB   GLU  93          2HB       GLU  93  -3.992  -7.166  -7.166
  666   2HB   GLU  93          1HB       GLU  93  -4.132  -8.920  -8.920
  667   1HG   GLU  93          2HG       GLU  93  -5.026  -8.855  -8.855
  668   2HG   GLU  93          1HG       GLU  93  -4.184  -7.364  -7.364
  669    H    LEU  94           H        LEU  94  -2.488  -7.102  -7.102
  670    HA   LEU  94           HA       LEU  94  -1.573  -4.391  -4.391
  671   1HB   LEU  94          2HB       LEU  94  -2.405  -5.486  -5.486
  672   2HB   LEU  94          1HB       LEU  94  -2.383  -3.803  -3.803
  673    HG   LEU  94           HG       LEU  94  -4.261  -5.999  -5.999
  674   1HD1  LEU  94          2HD1      LEU  94  -4.490  -3.200  -3.200
  675   2HD1  LEU  94          1HD1      LEU  94  -5.870  -4.022  -4.022
  676   3HD1  LEU  94          3HD1      LEU  94  -5.092  -4.702  -4.702
  677   1HD2  LEU  94          3HD2      LEU  94  -3.347  -4.992  -4.992
  678   2HD2  LEU  94          2HD2      LEU  94  -5.039  -4.531  -4.531
  679   3HD2  LEU  94          1HD2      LEU  94  -3.749  -3.386  -3.386
  680    H    ASP  95           H        ASP  95   0.267  -6.560  -6.560
  681    HA   ASP  95           HA       ASP  95   1.938  -6.524  -6.524
  682   1HB   ASP  95          2HB       ASP  95   3.119  -8.208  -8.208
  683   2HB   ASP  95          1HB       ASP  95   1.459  -8.393  -8.393
  684    H    GLY  96           H        GLY  96   3.891  -5.514  -5.514
  685   1HA   GLY  96          2HA       GLY  96   5.848  -4.274  -4.274
  686   2HA   GLY  96          1HA       GLY  96   4.897  -3.763  -3.763
  687    H    ILE  97           H        ILE  97   3.503  -3.822  -3.822
  688    HA   ILE  97           HA       ILE  97   2.760  -1.044  -1.044
  689    HB   ILE  97           HB       ILE  97   1.282  -2.745  -2.745
  690   1HG1  ILE  97          2HG1      ILE  97   1.500  -0.254  -0.254
  691   2HG1  ILE  97          1HG1      ILE  97   0.375  -1.391  -1.391
  692   1HG2  ILE  97          2HG2      ILE  97   3.487  -3.038  -3.038
  693   2HG2  ILE  97          1HG2      ILE  97   1.854  -3.650  -3.650
  694   3HG2  ILE  97          3HG2      ILE  97   2.833  -4.281  -4.281
  695   1HD1  ILE  97          3HD1      ILE  97   3.172  -1.316  -1.316
  696   2HD1  ILE  97          2HD1      ILE  97   2.098   0.017   0.017
  697   3HD1  ILE  97          1HD1      ILE  97   1.662  -1.636  -1.636
  698    H    VAL  98           H        VAL  98   3.624   0.695   0.695
  699    HA   VAL  98           HA       VAL  98   6.054   0.403   0.403
  700    HB   VAL  98           HB       VAL  98   4.870   2.803   2.803
  701   1HG1  VAL  98          2HG1      VAL  98   7.574   2.131   2.131
  702   2HG1  VAL  98          1HG1      VAL  98   7.368   3.440   3.440
  703   3HG1  VAL  98          3HG1      VAL  98   6.526   3.495   3.495
  704   1HG2  VAL  98          1HG2      VAL  98   6.861   0.746   0.746
  705   2HG2  VAL  98          3HG2      VAL  98   5.246   1.048   1.048
  706   3HG2  VAL  98          2HG2      VAL  98   6.504   2.272   2.272
  707    H    VAL  99           H        VAL  99   5.173   0.278   0.278
  708    HA   VAL  99           HA       VAL  99   3.221   2.421   2.421
  709    HB   VAL  99           HB       VAL  99   2.157   0.533   0.533
  710   1HG1  VAL  99          3HG1      VAL  99   4.863  -0.632  -0.632
  711   2HG1  VAL  99          2HG1      VAL  99   3.311  -1.479  -1.479
  712   3HG1  VAL  99          1HG1      VAL  99   3.847  -0.996  -0.996
  713   1HG2  VAL  99          3HG2      VAL  99   4.122   0.997   0.997
  714   2HG2  VAL  99          2HG2      VAL  99   2.516   1.733   1.733
  715   3HG2  VAL  99          1HG2      VAL  99   2.667  -0.007  -0.007
  716    H    ASP 100           H        ASP 100   3.440   3.252   3.252
  717    HA   ASP 100           HA       ASP 100   6.301   3.656   3.656
  718   1HB   ASP 100          2HB       ASP 100   4.686   6.104   6.104
  719   2HB   ASP 100          1HB       ASP 100   6.302   5.837   5.837
  720    H    VAL 101           H        VAL 101   6.445   5.045   5.045
  721    HA   VAL 101           HA       VAL 101   4.291   4.256   4.256
  722    HB   VAL 101           HB       VAL 101   7.216   5.006   5.006
  723   1HG1  VAL 101          1HG1      VAL 101   5.627   5.638   5.638
  724   2HG1  VAL 101          3HG1      VAL 101   5.341   3.909   3.909
  725   3HG1  VAL 101          2HG1      VAL 101   6.960   4.566   4.566
  726   1HG2  VAL 101          2HG2      VAL 101   6.525   2.734   2.734
  727   2HG2  VAL 101          1HG2      VAL 101   7.610   2.697   2.697
  728   3HG2  VAL 101          3HG2      VAL 101   5.892   2.353   2.353
  729    HA   PRO 102           HA       PRO 102   3.440   8.673   8.673
  730   1HB   PRO 102          2HB       PRO 102   1.088   8.546   8.546
  731   2HB   PRO 102          1HB       PRO 102   1.225   8.099   8.099
  732   1HG   PRO 102          2HG       PRO 102   1.163   6.348   6.348
  733   2HG   PRO 102          1HG       PRO 102   0.378   6.131   6.131
  734   1HD   PRO 102          2HD       PRO 102   2.655   4.837   4.837
  735   2HD   PRO 102          1HD       PRO 102   2.275   5.294   5.294
  736    H    ASP 103           H        ASP 103   5.127   9.402   9.402
  737    HA   ASP 103           HA       ASP 103   4.382   9.292   9.292
  738   1HB   ASP 103          2HB       ASP 103   6.480   8.315   8.315
  739   2HB   ASP 103          1HB       ASP 103   6.948   9.360   9.360
  740    H    ARG 104           H        ARG 104   3.375  11.149  11.149
  741    HA   ARG 104           HA       ARG 104   4.285  13.712  13.712
  742   1HB   ARG 104          2HB       ARG 104   1.784  13.862  13.862
  743   2HB   ARG 104          1HB       ARG 104   2.103  14.266  14.266
  744   1HG   ARG 104          2HG       ARG 104   0.730  12.513  12.513
  745   2HG   ARG 104          1HG       ARG 104   2.141  11.523  11.523
  746   1HD   ARG 104          2HD       ARG 104  -0.165  12.169  12.169
  747   2HD   ARG 104          1HD       ARG 104   0.487  10.581  10.581
  748    HE   ARG 104           HE       ARG 104   2.303  12.436  12.436
  749   1HH1  ARG 104          1HH2      ARG 104   1.937   9.262   9.262
  750   2HH1  ARG 104          2HH2      ARG 104   1.851   8.759   8.759
  751   1HH2  ARG 104          1HH1      ARG 104   1.469  11.976  11.976
  752   2HH2  ARG 104          2HH1      ARG 104   1.587  10.295  10.295
  753    H    GLN 105           H        GLN 105   5.667  14.784  14.784
  754    HA   GLN 105           HA       GLN 105   5.125  14.678  14.678
  755   1HB   GLN 105          2HB       GLN 105   7.558  14.931  14.931
  756   2HB   GLN 105          1HB       GLN 105   7.200  13.559  13.559
  757   1HG   GLN 105          2HG       GLN 105   7.297  15.756  15.756
  758   2HG   GLN 105          1HG       GLN 105   8.639  16.010  16.010
  759   1HE2  GLN 105          2HE2      GLN 105   8.890  13.090  13.090
  760   2HE2  GLN 105          1HE2      GLN 105   7.569  14.154  14.154
  761    H    TRP 106           H        TRP 106   4.706  16.644  16.644
  762    HA   TRP 106           HA       TRP 106   5.612  19.133  19.133
  763   1HB   TRP 106          2HB       TRP 106   6.385  18.797  18.797
  764   2HB   TRP 106          1HB       TRP 106   4.734  18.504  18.504
  765    HD1  TRP 106           HD       TRP 106   3.920  20.533  20.533
  766    HE1  TRP 106          1HE       TRP 106   4.046  23.090  23.090
  767    HE3  TRP 106          3HE       TRP 106   6.821  20.775  20.775
  768    HZ2  TRP 106          2HZ       TRP 106   5.222  24.988  24.988
  769    HZ3  TRP 106          3HZ       TRP 106   7.429  22.968  22.968
  770    HH2  TRP 106           HH       TRP 106   6.634  25.072  25.072

  Start of MODEL   17
    1   1H    SER   1          2HT       SER   1   3.580 -11.243 -11.243
    2   2H    SER   1          1HT       SER   1   2.079 -10.657 -10.657
    3   3H    SER   1          3HT       SER   1   2.179 -11.505 -11.505
    4    HA   SER   1           HA       SER   1   3.059  -9.739  -9.739
    5   1HB   SER   1          2HB       SER   1   1.895  -7.775  -7.775
    6   2HB   SER   1          1HB       SER   1   1.154  -8.564  -8.564
    7    HG   SER   1           HG       SER   1   0.419 -10.189 -10.189
    8    H    LYS   2           H        LYS   2   4.676  -8.152  -8.152
    9    HA   LYS   2           HA       LYS   2   6.693  -8.072  -8.072
   10   1HB   LYS   2          2HB       LYS   2   6.687  -7.707  -7.707
   11   2HB   LYS   2          1HB       LYS   2   6.448  -6.020  -6.020
   12   1HG   LYS   2          2HG       LYS   2   8.519  -5.867  -5.867
   13   2HG   LYS   2          1HG       LYS   2   8.592  -7.596  -7.596
   14   1HD   LYS   2          2HD       LYS   2   8.749  -6.443  -6.443
   15   2HD   LYS   2          1HD       LYS   2  10.169  -6.824  -6.824
   16   1HE   LYS   2          2HE       LYS   2   8.261  -9.042  -9.042
   17   2HE   LYS   2          1HE       LYS   2   8.842  -8.616  -8.616
   18   1HZ   LYS   2          1HZ       LYS   2  11.113  -8.552  -8.552
   19   2HZ   LYS   2          3HZ       LYS   2  10.515  -9.124  -9.124
   20   3HZ   LYS   2          2HZ       LYS   2  10.417 -10.098 -10.098
   21    H    VAL   3           H        VAL   3   6.654  -6.757  -6.757
   22    HA   VAL   3           HA       VAL   3   4.949  -4.287  -4.287
   23    HB   VAL   3           HB       VAL   3   5.323  -6.450  -6.450
   24   1HG1  VAL   3          3HG1      VAL   3   5.890  -4.288  -4.288
   25   2HG1  VAL   3          2HG1      VAL   3   4.316  -3.663  -3.663
   26   3HG1  VAL   3          1HG1      VAL   3   4.414  -5.027  -5.027
   27   1HG2  VAL   3          3HG2      VAL   3   3.001  -4.873  -4.873
   28   2HG2  VAL   3          2HG2      VAL   3   3.386  -6.567  -6.567
   29   3HG2  VAL   3          1HG2      VAL   3   2.833  -6.065  -6.065
   30    H    VAL   4           H        VAL   4   5.939  -2.379  -2.379
   31    HA   VAL   4           HA       VAL   4   8.718  -2.594  -2.594
   32    HB   VAL   4           HB       VAL   4   7.514  -0.636  -0.636
   33   1HG1  VAL   4          2HG1      VAL   4   9.783  -0.397  -0.397
   34   2HG1  VAL   4          1HG1      VAL   4  10.363  -0.542  -0.542
   35   3HG1  VAL   4          3HG1      VAL   4   9.228   0.738   0.738
   36   1HG2  VAL   4          3HG2      VAL   4   9.140  -3.107  -3.107
   37   2HG2  VAL   4          2HG2      VAL   4   7.907  -2.445  -2.445
   38   3HG2  VAL   4          1HG2      VAL   4   9.533  -1.762  -1.762
   39    H    TYR   5           H        TYR   5   8.674  -2.014  -2.014
   40    HA   TYR   5           HA       TYR   5   6.775  -0.080  -0.080
   41   1HB   TYR   5          2HB       TYR   5   9.171  -1.549  -1.549
   42   2HB   TYR   5          1HB       TYR   5   8.063  -0.614  -0.614
   43    HD1  TYR   5          2HD       TYR   5   5.899  -1.657  -1.657
   44    HD2  TYR   5          1HD       TYR   5   8.419  -3.403  -3.403
   45    HE1  TYR   5          2HE       TYR   5   4.285  -3.521  -3.521
   46    HE2  TYR   5          1HE       TYR   5   6.827  -5.250  -5.250
   47    HH   TYR   5           HH       TYR   5   4.056  -5.422  -5.422
   48    H    VAL   6           H        VAL   6   7.137   2.035   2.035
   49    HA   VAL   6           HA       VAL   6  10.000   2.988   2.988
   50    HB   VAL   6           HB       VAL   6   7.534   4.581   4.581
   51   1HG1  VAL   6          2HG1      VAL   6   9.987   5.512   5.512
   52   2HG1  VAL   6          1HG1      VAL   6  10.269   4.872   4.872
   53   3HG1  VAL   6          3HG1      VAL   6   9.029   6.099   6.099
   54   1HG2  VAL   6          3HG2      VAL   6   7.675   2.450   2.450
   55   2HG2  VAL   6          2HG2      VAL   6   7.858   3.888   3.888
   56   3HG2  VAL   6          1HG2      VAL   6   9.276   2.937   2.937
   57    H    SER   7           H        SER   7  10.719   4.043   4.043
   58    HA   SER   7           HA       SER   7   8.866   4.502   4.502
   59   1HB   SER   7          2HB       SER   7  11.017   5.364   5.364
   60   2HB   SER   7          1HB       SER   7  11.120   3.718   3.718
   61    HG   SER   7           HG       SER   7  12.345   6.034   6.034
   62    H    HIS   8           H        HIS   8   9.956   6.930   6.930
   63    HA   HIS   8           HA       HIS   8   8.760   8.841   8.841
   64   1HB   HIS   8          2HB       HIS   8   8.914  10.301  10.301
   65   2HB   HIS   8          1HB       HIS   8   7.623   9.133   9.133
   66    HD1  HIS   8          1HD       HIS   8   7.284   7.773   7.773
   67    HD2  HIS   8          2HD       HIS   8  11.296   8.785   8.785
   68    HE1  HIS   8          1HE       HIS   8   8.485   6.695   6.695
   69    H    ASP   9           H        ASP   9  11.727   7.763   7.763
   70    HA   ASP   9           HA       ASP   9  13.127  10.326  10.326
   71   1HB   ASP   9          2HB       ASP   9  14.947   9.318   9.318
   72   2HB   ASP   9          1HB       ASP   9  13.477   8.953   8.953
   73    H    GLY  10           H        GLY  10  12.112   7.605   7.605
   74   1HA   GLY  10          2HA       GLY  10  12.715   7.429   7.429
   75   2HA   GLY  10          1HA       GLY  10  14.371   7.829   7.829
   76    H    THR  11           H        THR  11  13.949   5.947   5.947
   77    HA   THR  11           HA       THR  11  15.305   3.704   3.704
   78    HB   THR  11           HB       THR  11  13.972   4.639   4.639
   79    HG1  THR  11          1HG       THR  11  15.418   2.885   2.885
   80   1HG2  THR  11          3HG2      THR  11  12.308   2.796   2.796
   81   2HG2  THR  11          2HG2      THR  11  13.620   1.657   1.657
   82   3HG2  THR  11          1HG2      THR  11  13.025   2.679   2.679
   83    H    ARG  12           H        ARG  12  14.673   1.777   1.777
   84    HA   ARG  12           HA       ARG  12  11.803   1.520   1.520
   85   1HB   ARG  12          2HB       ARG  12  14.402   1.309   1.309
   86   2HB   ARG  12          1HB       ARG  12  13.116   0.210   0.210
   87   1HG   ARG  12          2HG       ARG  12  11.597   2.096   2.096
   88   2HG   ARG  12          1HG       ARG  12  12.826   3.220   3.220
   89   1HD   ARG  12          2HD       ARG  12  14.243   1.946   1.946
   90   2HD   ARG  12          1HD       ARG  12  12.612   1.866   1.866
   91    HE   ARG  12           HE       ARG  12  12.918   4.475   4.475
   92   1HH1  ARG  12          1HH1      ARG  12  13.880   2.427   2.427
   93   2HH1  ARG  12          2HH1      ARG  12  14.531   3.711   3.711
   94   1HH2  ARG  12          1HH2      ARG  12  13.952   6.154   6.154
   95   2HH2  ARG  12          2HH2      ARG  12  14.572   5.821   5.821
   96    H    ARG  13           H        ARG  13  10.848  -0.484  -0.484
   97    HA   ARG  13           HA       ARG  13  12.563  -2.819  -2.819
   98   1HB   ARG  13          2HB       ARG  13  11.410  -1.268  -1.268
   99   2HB   ARG  13          1HB       ARG  13  10.040  -2.313  -2.313
  100   1HG   ARG  13          2HG       ARG  13  10.990  -4.108  -4.108
  101   2HG   ARG  13          1HG       ARG  13  12.568  -3.777  -3.777
  102   1HD   ARG  13          2HD       ARG  13  12.739  -1.836  -1.836
  103   2HD   ARG  13          1HD       ARG  13  11.388  -2.629  -2.629
  104    HE   ARG  13           HE       ARG  13  14.067  -3.551  -3.551
  105   1HH1  ARG  13          1HH2      ARG  13  12.928  -5.504  -5.504
  106   2HH1  ARG  13          2HH2      ARG  13  12.358  -6.772  -6.772
  107   1HH2  ARG  13          1HH1      ARG  13  12.460  -4.837  -4.837
  108   2HH2  ARG  13          2HH1      ARG  13  12.093  -6.395  -6.395
  109    H    GLU  14           H        GLU  14  11.713  -3.046  -3.046
  110    HA   GLU  14           HA       GLU  14   8.958  -3.614  -3.614
  111   1HB   GLU  14          2HB       GLU  14  11.384  -4.724  -4.724
  112   2HB   GLU  14          1HB       GLU  14   9.814  -4.317  -4.317
  113   1HG   GLU  14          2HG       GLU  14  10.698  -2.306  -2.306
  114   2HG   GLU  14          1HG       GLU  14  10.644  -1.949  -1.949
  115    H    LEU  15           H        LEU  15   7.821  -5.508  -5.508
  116    HA   LEU  15           HA       LEU  15   9.167  -7.846  -7.846
  117   1HB   LEU  15          2HB       LEU  15   6.444  -6.603  -6.603
  118   2HB   LEU  15          1HB       LEU  15   6.532  -8.345  -8.345
  119    HG   LEU  15           HG       LEU  15   7.818  -6.233  -6.233
  120   1HD1  LEU  15          2HD1      LEU  15   5.310  -7.507  -7.507
  121   2HD1  LEU  15          1HD1      LEU  15   6.277  -8.356  -8.356
  122   3HD1  LEU  15          3HD1      LEU  15   6.036  -6.628  -6.628
  123   1HD2  LEU  15          3HD2      LEU  15   9.093  -8.523  -8.523
  124   2HD2  LEU  15          2HD2      LEU  15   8.981  -7.850  -7.850
  125   3HD2  LEU  15          1HD2      LEU  15   7.869  -9.140  -9.140
  126    H    ASP  16           H        ASP  16   8.772  -9.931  -9.931
  127    HA   ASP  16           HA       ASP  16   7.846  -9.911  -9.911
  128   1HB   ASP  16          2HB       ASP  16  10.093 -10.860 -10.860
  129   2HB   ASP  16          1HB       ASP  16   9.301 -12.007 -12.007
  130    H    VAL  17           H        VAL  17   5.602  -9.744  -9.744
  131    HA   VAL  17           HA       VAL  17   4.495 -11.912 -11.912
  132    HB   VAL  17           HB       VAL  17   3.529  -9.284  -9.284
  133   1HG1  VAL  17          2HG1      VAL  17   1.978 -11.358 -11.358
  134   2HG1  VAL  17          1HG1      VAL  17   1.438  -9.698  -9.698
  135   3HG1  VAL  17          3HG1      VAL  17   1.625 -10.790 -10.790
  136   1HG2  VAL  17          2HG2      VAL  17   4.682 -10.242 -10.242
  137   2HG2  VAL  17          1HG2      VAL  17   4.500  -8.590  -8.590
  138   3HG2  VAL  17          3HG2      VAL  17   3.163  -9.381  -9.381
  139    H    ALA  18           H        ALA  18   2.320 -12.768 -12.768
  140    HA   ALA  18           HA       ALA  18   2.419 -13.364 -13.364
  141   1HB   ALA  18          2HB       ALA  18   2.985 -15.234 -15.234
  142   2HB   ALA  18          1HB       ALA  18   1.409 -15.047 -15.047
  143   3HB   ALA  18          3HB       ALA  18   1.509 -15.557 -15.557
  144    H    ASP  19           H        ASP  19  -0.202 -14.858 -14.858
  145    HA   ASP  19           HA       ASP  19  -1.976 -12.492 -12.492
  146   1HB   ASP  19          2HB       ASP  19  -3.241 -13.896 -13.896
  147   2HB   ASP  19          1HB       ASP  19  -1.587 -14.440 -14.440
  148    H    GLY  20           H        GLY  20  -3.312 -12.051 -12.051
  149   1HA   GLY  20          2HA       GLY  20  -5.090 -12.866 -12.866
  150   2HA   GLY  20          1HA       GLY  20  -4.096 -14.292 -14.292
  151    H    VAL  21           H        VAL  21  -1.849 -11.937 -11.937
  152    HA   VAL  21           HA       VAL  21  -2.022 -11.605 -11.605
  153    HB   VAL  21           HB       VAL  21   0.243 -11.154 -11.154
  154   1HG1  VAL  21          1HG1      VAL  21   0.118 -11.168 -11.168
  155   2HG1  VAL  21          3HG1      VAL  21   1.626 -11.240 -11.240
  156   3HG1  VAL  21          2HG1      VAL  21   0.582  -9.824  -9.824
  157   1HG2  VAL  21          3HG2      VAL  21  -0.726 -13.536 -13.536
  158   2HG2  VAL  21          2HG2      VAL  21   0.170 -13.448 -13.448
  159   3HG2  VAL  21          1HG2      VAL  21   1.018 -13.260 -13.260
  160    H    SER  22           H        SER  22  -1.103  -9.469  -9.469
  161    HA   SER  22           HA       SER  22  -2.062  -7.203  -7.203
  162   1HB   SER  22          2HB       SER  22  -2.095  -6.485  -6.485
  163   2HB   SER  22          1HB       SER  22  -3.490  -6.854  -6.854
  164    HG   SER  22           HG       SER  22  -3.553  -8.279  -8.279
  165    H    LEU  23           H        LEU  23  -0.819  -5.140  -5.140
  166    HA   LEU  23           HA       LEU  23   2.000  -5.457  -5.457
  167   1HB   LEU  23          2HB       LEU  23   0.362  -3.078  -3.078
  168   2HB   LEU  23          1HB       LEU  23   2.026  -3.021  -3.021
  169    HG   LEU  23           HG       LEU  23  -0.468  -3.635  -3.635
  170   1HD1  LEU  23          3HD1      LEU  23   0.529  -1.263  -1.263
  171   2HD1  LEU  23          2HD1      LEU  23   1.799  -1.787  -1.787
  172   3HD1  LEU  23          1HD1      LEU  23   0.122  -1.736  -1.736
  173   1HD2  LEU  23          2HD2      LEU  23   2.363  -4.464  -4.464
  174   2HD2  LEU  23          1HD2      LEU  23   0.868  -5.263  -5.263
  175   3HD2  LEU  23          3HD2      LEU  23   1.458  -3.869  -3.869
  176    H    MET  24           H        MET  24  -0.210  -5.521  -5.521
  177    HA   MET  24           HA       MET  24   1.895  -4.912  -4.912
  178   1HB   MET  24          2HB       MET  24  -0.322  -4.066  -4.066
  179   2HB   MET  24          1HB       MET  24  -1.028  -5.665  -5.665
  180   1HG   MET  24          2HG       MET  24   1.011  -5.916  -5.916
  181   2HG   MET  24          1HG       MET  24   0.013  -4.533  -4.533
  182   1HE   MET  24          2HE       MET  24   0.169  -6.147  -6.147
  183   2HE   MET  24          1HE       MET  24  -1.480  -5.577  -5.577
  184   3HE   MET  24          3HE       MET  24  -1.111  -7.302  -7.302
  185    H    GLN  25           H        GLN  25  -0.348  -7.586  -7.586
  186    HA   GLN  25           HA       GLN  25   0.528  -9.522  -9.522
  187   1HB   GLN  25          2HB       GLN  25  -1.235  -9.667  -9.667
  188   2HB   GLN  25          1HB       GLN  25  -0.013  -9.700  -9.700
  189   1HG   GLN  25          2HG       GLN  25   0.709 -11.864 -11.864
  190   2HG   GLN  25          1HG       GLN  25  -0.026 -11.768 -11.768
  191   1HE2  GLN  25          2HE2      GLN  25  -3.117 -11.804 -11.804
  192   2HE2  GLN  25          1HE2      GLN  25  -2.131 -10.439 -10.439
  193    H    ALA  26           H        ALA  26   1.979  -9.355  -9.355
  194    HA   ALA  26           HA       ALA  26   4.143 -11.074 -11.074
  195   1HB   ALA  26          3HB       ALA  26   3.835  -8.587  -8.587
  196   2HB   ALA  26          2HB       ALA  26   5.332  -9.547  -9.547
  197   3HB   ALA  26          1HB       ALA  26   3.787 -10.283 -10.283
  198    H    ALA  27           H        ALA  27   4.180  -7.490  -7.490
  199    HA   ALA  27           HA       ALA  27   6.710  -7.182  -7.182
  200   1HB   ALA  27          2HB       ALA  27   4.635  -5.586  -5.586
  201   2HB   ALA  27          1HB       ALA  27   4.375  -5.606  -5.606
  202   3HB   ALA  27          3HB       ALA  27   5.903  -5.022  -5.022
  203    H    VAL  28           H        VAL  28   3.528  -7.489  -7.489
  204    HA   VAL  28           HA       VAL  28   3.993  -7.718  -7.718
  205    HB   VAL  28           HB       VAL  28   2.113  -8.487  -8.487
  206   1HG1  VAL  28          2HG1      VAL  28   2.482 -10.591 -10.591
  207   2HG1  VAL  28          1HG1      VAL  28   1.125 -10.508 -10.508
  208   3HG1  VAL  28          3HG1      VAL  28   2.749 -10.837 -10.837
  209   1HG2  VAL  28          3HG2      VAL  28   1.890  -6.998  -6.998
  210   2HG2  VAL  28          2HG2      VAL  28   0.535  -8.081  -8.081
  211   3HG2  VAL  28          1HG2      VAL  28   1.669  -8.482  -8.482
  212    H    SER  29           H        SER  29   4.456 -10.361 -10.361
  213    HA   SER  29           HA       SER  29   5.666 -12.139 -12.139
  214   1HB   SER  29          2HB       SER  29   6.267 -12.822 -12.822
  215   2HB   SER  29          1HB       SER  29   5.095 -13.589 -13.589
  216    HG   SER  29           HG       SER  29   3.533 -12.507 -12.507
  217    H    ASN  30           H        ASN  30   6.731 -10.210 -10.210
  218    HA   ASN  30           HA       ASN  30   9.505 -10.838 -10.838
  219   1HB   ASN  30          2HB       ASN  30   7.659  -8.807  -8.807
  220   2HB   ASN  30          1HB       ASN  30   9.322  -8.254  -8.254
  221   1HD2  ASN  30          2HD2      ASN  30   8.488 -11.324 -11.324
  222   2HD2  ASN  30          1HD2      ASN  30   7.388 -10.960 -10.960
  223    H    GLY  31           H        GLY  31   7.583  -9.261  -9.261
  224   1HA   GLY  31          2HA       GLY  31   8.287  -8.387  -8.387
  225   2HA   GLY  31          1HA       GLY  31   9.957  -8.462  -8.462
  226    H    ILE  32           H        ILE  32   8.892  -6.930  -6.930
  227    HA   ILE  32           HA       ILE  32   9.772  -4.341  -4.341
  228    HB   ILE  32           HB       ILE  32   7.452  -5.043  -5.043
  229   1HG1  ILE  32          2HG1      ILE  32  10.393  -5.006  -5.006
  230   2HG1  ILE  32          1HG1      ILE  32   9.505  -6.487  -6.487
  231   1HG2  ILE  32          1HG2      ILE  32   7.824  -2.635  -2.635
  232   2HG2  ILE  32          3HG2      ILE  32   9.519  -2.826  -2.826
  233   3HG2  ILE  32          2HG2      ILE  32   8.256  -3.094  -3.094
  234   1HD1  ILE  32          3HD1      ILE  32   8.206  -4.659  -4.659
  235   2HD1  ILE  32          2HD1      ILE  32   9.681  -5.439  -5.439
  236   3HD1  ILE  32          1HD1      ILE  32   8.317  -6.417  -6.417
  237    H    TYR  33           H        TYR  33   6.725  -5.943  -5.943
  238    HA   TYR  33           HA       TYR  33   5.444  -3.493  -3.493
  239   1HB   TYR  33          2HB       TYR  33   4.668  -6.184  -6.184
  240   2HB   TYR  33          1HB       TYR  33   3.563  -5.366  -5.366
  241    HD1  TYR  33          2HD       TYR  33   5.876  -3.792  -3.792
  242    HD2  TYR  33          1HD       TYR  33   1.837  -4.788  -4.788
  243    HE1  TYR  33          2HE       TYR  33   5.079  -2.379  -2.379
  244    HE2  TYR  33          1HE       TYR  33   1.035  -3.406  -3.406
  245    HH   TYR  33           HH       TYR  33   3.101  -2.142  -2.142
  246    H    ASP  34           H        ASP  34   7.338  -4.150  -4.150
  247    HA   ASP  34           HA       ASP  34   6.350  -6.027  -6.027
  248   1HB   ASP  34          2HB       ASP  34   8.093  -4.959  -4.959
  249   2HB   ASP  34          1HB       ASP  34   8.724  -5.246  -5.246
  250    H    ILE  35           H        ILE  35   4.146  -4.708  -4.708
  251    HA   ILE  35           HA       ILE  35   3.626  -2.236  -2.236
  252    HB   ILE  35           HB       ILE  35   1.428  -2.511  -2.511
  253   1HG1  ILE  35          2HG1      ILE  35   2.326  -5.385  -5.385
  254   2HG1  ILE  35          1HG1      ILE  35   0.924  -4.786  -4.786
  255   1HG2  ILE  35          3HG2      ILE  35   3.667  -3.534  -3.534
  256   2HG2  ILE  35          2HG2      ILE  35   2.082  -3.057  -3.057
  257   3HG2  ILE  35          1HG2      ILE  35   3.123  -1.867  -1.867
  258   1HD1  ILE  35          3HD1      ILE  35   0.422  -3.768  -3.768
  259   2HD1  ILE  35          2HD1      ILE  35   1.264  -5.256  -5.256
  260   3HD1  ILE  35          1HD1      ILE  35  -0.195  -5.321  -5.321
  261    H    VAL  36           H        VAL  36   0.924  -2.963  -2.963
  262    HA   VAL  36           HA       VAL  36   1.554  -4.564  -4.564
  263    HB   VAL  36           HB       VAL  36  -0.631  -2.499  -2.499
  264   1HG1  VAL  36          2HG1      VAL  36   0.550  -4.133  -4.133
  265   2HG1  VAL  36          1HG1      VAL  36   0.923  -2.451  -2.451
  266   3HG1  VAL  36          3HG1      VAL  36  -0.754  -2.958  -2.958
  267   1HG2  VAL  36          3HG2      VAL  36   1.439  -1.436  -1.436
  268   2HG2  VAL  36          2HG2      VAL  36   0.962  -0.749  -0.749
  269   3HG2  VAL  36          1HG2      VAL  36   2.293  -1.903  -1.903
  270    H    GLY  37           H        GLY  37  -1.441  -4.272  -4.272
  271   1HA   GLY  37          2HA       GLY  37  -2.379  -6.385  -6.385
  272   2HA   GLY  37          1HA       GLY  37  -2.763  -6.412  -6.412
  273    H    ASP  38           H        ASP  38  -3.378  -4.686  -4.686
  274    HA   ASP  38           HA       ASP  38  -5.865  -3.547  -3.547
  275   1HB   ASP  38          2HB       ASP  38  -4.314  -2.467  -2.467
  276   2HB   ASP  38          1HB       ASP  38  -5.537  -1.629  -1.629
  277    H    CYS  39           H        CYS  39  -4.590  -4.097  -4.097
  278    HA   CYS  39           HA       CYS  39  -7.132  -4.783  -4.783
  279   1HB   CYS  39          2HB       CYS  39  -5.555  -5.641  -5.641
  280   2HB   CYS  39          1HB       CYS  39  -5.489  -3.950  -3.950
  281    H    GLY  40           H        GLY  40  -4.900  -6.576  -6.576
  282   1HA   GLY  40          2HA       GLY  40  -4.687  -8.888  -8.888
  283   2HA   GLY  40          1HA       GLY  40  -6.442  -8.907  -8.907
  284    H    GLY  41           H        GLY  41  -4.394  -7.801  -7.801
  285   1HA   GLY  41          2HA       GLY  41  -3.788  -8.783  -8.783
  286   2HA   GLY  41          1HA       GLY  41  -4.194 -10.358 -10.358
  287    H    SER  42           H        SER  42  -6.499  -7.693  -7.693
  288    HA   SER  42           HA       SER  42  -7.950  -8.957  -8.957
  289   1HB   SER  42          2HB       SER  42  -9.863  -9.361  -9.361
  290   2HB   SER  42          1HB       SER  42  -8.548  -9.773  -9.773
  291    HG   SER  42           HG       SER  42  -8.788  -7.819  -7.819
  292    H    ALA  43           H        ALA  43  -6.550  -6.320  -6.320
  293    HA   ALA  43           HA       ALA  43  -6.948  -4.136  -4.136
  294   1HB   ALA  43          3HB       ALA  43  -8.687  -5.871  -5.871
  295   2HB   ALA  43          2HB       ALA  43  -9.743  -4.593  -4.593
  296   3HB   ALA  43          1HB       ALA  43  -8.395  -4.198  -4.198
  297    H    SER  44           H        SER  44  -7.342  -4.536  -4.536
  298    HA   SER  44           HA       SER  44  -9.505  -2.576  -2.576
  299   1HB   SER  44          2HB       SER  44  -9.119  -5.306  -5.306
  300   2HB   SER  44          1HB       SER  44  -9.076  -4.206  -4.206
  301    HG   SER  44           HG       SER  44 -11.209  -4.987  -4.987
  302    H    CYS  45           H        CYS  45  -6.830  -1.794  -1.794
  303    HA   CYS  45           HA       CYS  45  -5.705  -1.494  -1.494
  304   1HB   CYS  45          2HB       CYS  45  -3.593  -0.858  -0.858
  305   2HB   CYS  45          1HB       CYS  45  -4.002  -2.509  -2.509
  306    H    ALA  46           H        ALA  46  -4.596   0.369   0.369
  307    HA   ALA  46           HA       ALA  46  -5.595   2.894   2.894
  308   1HB   ALA  46          1HB       ALA  46  -4.903   2.048   2.048
  309   2HB   ALA  46          3HB       ALA  46  -5.072   3.747   3.747
  310   3HB   ALA  46          2HB       ALA  46  -6.446   2.653   2.653
  311    H    THR  47           H        THR  47  -2.873   0.915   0.915
  312    HA   THR  47           HA       THR  47  -0.970   3.216   3.216
  313    HB   THR  47           HB       THR  47   0.635   1.545   1.545
  314    HG1  THR  47          1HG       THR  47  -0.800  -0.190  -0.190
  315   1HG2  THR  47          1HG2      THR  47  -1.874   2.362   2.362
  316   2HG2  THR  47          3HG2      THR  47  -1.047   1.011   1.011
  317   3HG2  THR  47          2HG2      THR  47  -0.206   2.544   2.544
  318    H    CYS  48           H        CYS  48  -1.878   0.190   0.190
  319    HA   CYS  48           HA       CYS  48   0.462   0.245   0.245
  320   1HB   CYS  48          2HB       CYS  48  -2.122  -1.074  -1.074
  321   2HB   CYS  48          1HB       CYS  48  -0.481  -1.595  -1.595
  322    H    HIS  49           H        HIS  49   0.019   2.710   2.710
  323    HA   HIS  49           HA       HIS  49  -1.969   3.253   3.253
  324   1HB   HIS  49          2HB       HIS  49  -1.338   4.787   4.787
  325   2HB   HIS  49          1HB       HIS  49   0.179   5.075   5.075
  326    HD1  HIS  49          1HD       HIS  49  -2.138   7.245   7.245
  327    HD2  HIS  49          2HD       HIS  49  -1.435   5.127   5.127
  328    HE1  HIS  49          1HE       HIS  49  -3.156   8.610   8.610
  329    H    VAL  50           H        VAL  50  -1.338   3.244   3.244
  330    HA   VAL  50           HA       VAL  50   1.579   3.353   3.353
  331    HB   VAL  50           HB       VAL  50   1.218   1.386   1.386
  332   1HG1  VAL  50          2HG1      VAL  50   0.888   1.160   1.160
  333   2HG1  VAL  50          1HG1      VAL  50   0.996  -0.282  -0.282
  334   3HG1  VAL  50          3HG1      VAL  50   2.328   0.877   0.877
  335   1HG2  VAL  50          1HG2      VAL  50  -1.303   1.772   1.772
  336   2HG2  VAL  50          3HG2      VAL  50  -0.777   0.096   0.096
  337   3HG2  VAL  50          2HG2      VAL  50  -1.322   0.988   0.988
  338    H    TYR  51           H        TYR  51   2.003   3.939   3.939
  339    HA   TYR  51           HA       TYR  51  -0.316   5.230   5.230
  340   1HB   TYR  51          2HB       TYR  51   2.495   6.010   6.010
  341   2HB   TYR  51          1HB       TYR  51   1.712   6.732   6.732
  342    HD1  TYR  51          2HD       TYR  51  -1.004   6.095   6.095
  343    HD2  TYR  51          1HD       TYR  51   2.494   8.619   8.619
  344    HE1  TYR  51          2HE       TYR  51  -2.175   7.780   7.780
  345    HE2  TYR  51          1HE       TYR  51   1.301  10.284  10.284
  346    HH   TYR  51           HH       TYR  51  -1.304  10.854  10.854
  347    H    VAL  52           H        VAL  52  -0.756   4.223   4.223
  348    HA   VAL  52           HA       VAL  52   1.412   2.726   2.726
  349    HB   VAL  52           HB       VAL  52  -1.583   2.862   2.862
  350   1HG1  VAL  52          2HG1      VAL  52  -0.092   2.082   2.082
  351   2HG1  VAL  52          1HG1      VAL  52   0.408   0.747   0.747
  352   3HG1  VAL  52          3HG1      VAL  52  -1.280   0.899   0.899
  353   1HG2  VAL  52          1HG2      VAL  52   0.153   1.142   1.142
  354   2HG2  VAL  52          3HG2      VAL  52  -1.388   1.913   1.913
  355   3HG2  VAL  52          2HG2      VAL  52  -1.344   0.494   0.494
  356    H    ASN  53           H        ASN  53   1.460   3.037   3.037
  357    HA   ASN  53           HA       ASN  53   1.280   5.927   5.927
  358   1HB   ASN  53          2HB       ASN  53   2.410   5.105   5.105
  359   2HB   ASN  53          1HB       ASN  53   3.291   4.750   4.750
  360   1HD2  ASN  53          2HD2      ASN  53   3.200   1.592   1.592
  361   2HD2  ASN  53          1HD2      ASN  53   3.895   3.124   3.124
  362    H    GLU  54           H        GLU  54  -0.252   6.784   6.784
  363    HA   GLU  54           HA       GLU  54  -2.773   5.830   5.830
  364   1HB   GLU  54          2HB       GLU  54  -2.699   7.214   7.214
  365   2HB   GLU  54          1HB       GLU  54  -2.142   8.031   8.031
  366   1HG   GLU  54          2HG       GLU  54  -0.030   8.225   8.225
  367   2HG   GLU  54          1HG       GLU  54  -0.007   6.556   6.556
  368    H    ALA  55           H        ALA  55   0.069   4.690   4.690
  369    HA   ALA  55           HA       ALA  55  -1.300   3.412   3.412
  370   1HB   ALA  55          2HB       ALA  55   1.374   3.103   3.103
  371   2HB   ALA  55          1HB       ALA  55   0.931   2.116   2.116
  372   3HB   ALA  55          3HB       ALA  55   1.022   3.870   3.870
  373    H    PHE  56           H        PHE  56  -0.968   2.504   2.504
  374    HA   PHE  56           HA       PHE  56  -2.087  -0.193  -0.193
  375   1HB   PHE  56          2HB       PHE  56  -0.023   0.576   0.576
  376   2HB   PHE  56          1HB       PHE  56  -0.670  -1.053  -1.053
  377    HD1  PHE  56          1HD       PHE  56   1.046   1.705   1.705
  378    HD2  PHE  56          2HD       PHE  56   0.307  -2.549  -2.549
  379    HE1  PHE  56          1HE       PHE  56   2.624   1.385   1.385
  380    HE2  PHE  56          2HE       PHE  56   1.884  -2.833  -2.833
  381    HZ   PHE  56           HZ       PHE  56   3.043  -0.885  -0.885
  382    H    THR  57           H        THR  57  -2.400   2.689   2.689
  383    HA   THR  57           HA       THR  57  -4.070   1.472   1.472
  384    HB   THR  57           HB       THR  57  -3.925   3.542   3.542
  385    HG1  THR  57          1HG       THR  57  -5.324   4.662   4.662
  386   1HG2  THR  57          3HG2      THR  57  -1.637   3.101   3.101
  387   2HG2  THR  57          2HG2      THR  57  -2.115   4.707   4.707
  388   3HG2  THR  57          1HG2      THR  57  -1.849   4.412   4.412
  389    H    ASP  58           H        ASP  58  -4.468   2.791   2.791
  390    HA   ASP  58           HA       ASP  58  -7.367   3.235   3.235
  391   1HB   ASP  58          2HB       ASP  58  -7.148   4.204   4.204
  392   2HB   ASP  58          1HB       ASP  58  -5.549   4.473   4.473
  393    H    LYS  59           H        LYS  59  -5.196   0.706   0.706
  394    HA   LYS  59           HA       LYS  59  -7.177  -0.812  -0.812
  395   1HB   LYS  59          2HB       LYS  59  -4.432  -1.355  -1.355
  396   2HB   LYS  59          1HB       LYS  59  -5.310  -2.540  -2.540
  397   1HG   LYS  59          2HG       LYS  59  -4.569   0.257   0.257
  398   2HG   LYS  59          1HG       LYS  59  -3.730  -1.221  -1.221
  399   1HD   LYS  59          2HD       LYS  59  -6.414  -1.777  -1.777
  400   2HD   LYS  59          1HD       LYS  59  -6.215  -0.102  -0.102
  401   1HE   LYS  59          2HE       LYS  59  -3.966  -1.114  -1.114
  402   2HE   LYS  59          1HE       LYS  59  -4.968  -2.580  -2.580
  403   1HZ   LYS  59          3HZ       LYS  59  -6.772  -1.201  -1.201
  404   2HZ   LYS  59          2HZ       LYS  59  -5.675   0.088   0.088
  405   3HZ   LYS  59          1HZ       LYS  59  -5.425  -1.344  -1.344
  406    H    VAL  60           H        VAL  60  -5.610  -1.111  -1.111
  407    HA   VAL  60           HA       VAL  60  -6.733  -3.403  -3.403
  408    HB   VAL  60           HB       VAL  60  -6.589  -2.012  -2.012
  409   1HG1  VAL  60          2HG1      VAL  60  -4.451  -2.531  -2.531
  410   2HG1  VAL  60          1HG1      VAL  60  -4.030  -1.506  -1.506
  411   3HG1  VAL  60          3HG1      VAL  60  -4.623  -3.144  -3.144
  412   1HG2  VAL  60          3HG2      VAL  60  -7.097   0.130   0.130
  413   2HG2  VAL  60          2HG2      VAL  60  -5.860   0.225   0.225
  414   3HG2  VAL  60          1HG2      VAL  60  -5.389   0.070   0.070
  415    HA   PRO  61           HA       PRO  61 -11.077  -2.874  -2.874
  416   1HB   PRO  61          2HB       PRO  61 -11.584  -3.881  -3.881
  417   2HB   PRO  61          1HB       PRO  61 -11.202  -4.887  -4.887
  418   1HG   PRO  61          2HG       PRO  61  -9.410  -3.964  -3.964
  419   2HG   PRO  61          1HG       PRO  61  -9.519  -5.560  -5.560
  420   1HD   PRO  61          2HD       PRO  61  -7.566  -3.822  -3.822
  421   2HD   PRO  61          1HD       PRO  61  -8.290  -4.909  -4.909
  422    H    ALA  62           H        ALA  62 -12.761  -1.832  -1.832
  423    HA   ALA  62           HA       ALA  62 -11.989   0.762   0.762
  424   1HB   ALA  62          2HB       ALA  62 -14.041  -0.427  -0.427
  425   2HB   ALA  62          1HB       ALA  62 -14.800  -0.010  -0.010
  426   3HB   ALA  62          3HB       ALA  62 -14.015   1.243   1.243
  427    H    ALA  63           H        ALA  63 -11.715   1.143   1.143
  428    HA   ALA  63           HA       ALA  63 -12.548  -0.836  -0.836
  429   1HB   ALA  63          1HB       ALA  63 -10.464   1.018   1.018
  430   2HB   ALA  63          3HB       ALA  63 -11.393   1.639   1.639
  431   3HB   ALA  63          2HB       ALA  63 -10.724   0.005   0.005
  432    H    ASN  64           H        ASN  64 -13.769  -0.130  -0.130
  433    HA   ASN  64           HA       ASN  64 -15.855   1.890   1.890
  434   1HB   ASN  64          2HB       ASN  64 -16.906   0.745   0.745
  435   2HB   ASN  64          1HB       ASN  64 -16.886  -0.126  -0.126
  436   1HD2  ASN  64          2HD2      ASN  64 -13.914  -1.265  -1.265
  437   2HD2  ASN  64          1HD2      ASN  64 -14.183   0.387   0.387
  438    H    GLU  65           H        GLU  65 -16.740   2.607   2.607
  439    HA   GLU  65           HA       GLU  65 -14.972   4.693   4.693
  440   1HB   GLU  65          2HB       GLU  65 -16.610   5.042   5.042
  441   2HB   GLU  65          1HB       GLU  65 -17.494   4.361   4.361
  442   1HG   GLU  65          2HG       GLU  65 -16.953   2.062   2.062
  443   2HG   GLU  65          1HG       GLU  65 -16.720   3.053   3.053
  444    H    ARG  66           H        ARG  66 -15.120   1.316   1.316
  445    HA   ARG  66           HA       ARG  66 -13.739   1.497   1.497
  446   1HB   ARG  66          2HB       ARG  66 -14.763  -0.470  -0.470
  447   2HB   ARG  66          1HB       ARG  66 -13.101  -0.913  -0.913
  448   1HG   ARG  66          2HG       ARG  66 -13.682  -0.564  -0.564
  449   2HG   ARG  66          1HG       ARG  66 -15.367  -0.389  -0.389
  450   1HD   ARG  66          2HD       ARG  66 -13.649  -2.822  -2.822
  451   2HD   ARG  66          1HD       ARG  66 -14.846  -2.731  -2.731
  452    HE   ARG  66           HE       ARG  66 -16.147  -1.867  -1.867
  453   1HH1  ARG  66          1HH1      ARG  66 -16.597  -4.321  -4.321
  454   2HH1  ARG  66          2HH1      ARG  66 -16.713  -5.585  -5.585
  455   1HH2  ARG  66          1HH2      ARG  66 -15.447  -3.654  -3.654
  456   2HH2  ARG  66          2HH2      ARG  66 -16.063  -5.207  -5.207
  457    H    GLU  67           H        GLU  67 -12.686   1.965   1.965
  458    HA   GLU  67           HA       GLU  67  -9.823   1.455   1.455
  459   1HB   GLU  67          2HB       GLU  67 -10.298   0.500   0.500
  460   2HB   GLU  67          1HB       GLU  67 -11.539   1.690   1.690
  461   1HG   GLU  67          2HG       GLU  67  -9.675   2.108   2.108
  462   2HG   GLU  67          1HG       GLU  67  -9.679   3.398   3.398
  463    H    ILE  68           H        ILE  68 -12.070   3.948   3.948
  464    HA   ILE  68           HA       ILE  68 -10.246   6.086   6.086
  465    HB   ILE  68           HB       ILE  68 -13.106   5.773   5.773
  466   1HG1  ILE  68          2HG1      ILE  68 -13.557   6.621   6.621
  467   2HG1  ILE  68          1HG1      ILE  68 -11.903   7.198   7.198
  468   1HG2  ILE  68          1HG2      ILE  68 -12.175   7.806   7.806
  469   2HG2  ILE  68          3HG2      ILE  68 -11.764   8.454   8.454
  470   3HG2  ILE  68          2HG2      ILE  68 -13.451   8.161   8.161
  471   1HD1  ILE  68          3HD1      ILE  68 -12.494   4.270   4.270
  472   2HD1  ILE  68          2HD1      ILE  68 -12.532   4.978   4.978
  473   3HD1  ILE  68          1HD1      ILE  68 -11.041   5.005   5.005
  474    H    GLY  69           H        GLY  69 -12.092   5.500   5.500
  475   1HA   GLY  69          2HA       GLY  69 -10.428   7.380   7.380
  476   2HA   GLY  69          1HA       GLY  69 -11.609   6.294   6.294
  477    H    MET  70           H        MET  70 -10.646   3.839   3.839
  478    HA   MET  70           HA       MET  70  -8.689   3.069   3.069
  479   1HB   MET  70          2HB       MET  70 -10.083   2.084   2.084
  480   2HB   MET  70          1HB       MET  70  -8.412   1.823   1.823
  481   1HG   MET  70          2HG       MET  70  -8.114   0.349   0.349
  482   2HG   MET  70          1HG       MET  70  -9.475   1.014   1.014
  483   1HE   MET  70          3HE       MET  70  -8.791   0.240   0.240
  484   2HE   MET  70          2HE       MET  70  -8.332  -1.356  -1.356
  485   3HE   MET  70          1HE       MET  70  -9.746  -1.212  -1.212
  486    H    LEU  71           H        LEU  71  -8.363   3.775   3.775
  487    HA   LEU  71           HA       LEU  71  -5.508   3.715   3.715
  488   1HB   LEU  71          2HB       LEU  71  -7.363   3.259   3.259
  489   2HB   LEU  71          1HB       LEU  71  -7.715   4.994   4.994
  490    HG   LEU  71           HG       LEU  71  -5.504   3.518   3.518
  491   1HD1  LEU  71          2HD1      LEU  71  -7.557   5.477   5.477
  492   2HD1  LEU  71          1HD1      LEU  71  -5.984   6.055   6.055
  493   3HD1  LEU  71          3HD1      LEU  71  -6.605   4.505   4.505
  494   1HD2  LEU  71          2HD2      LEU  71  -5.096   6.302   6.302
  495   2HD2  LEU  71          1HD2      LEU  71  -4.211   4.853   4.853
  496   3HD2  LEU  71          3HD2      LEU  71  -4.020   5.504   5.504
  497    H    GLU  72           H        GLU  72  -7.900   6.265   6.265
  498    HA   GLU  72           HA       GLU  72  -5.815   8.372   8.372
  499   1HB   GLU  72          2HB       GLU  72  -7.906   8.999   8.999
  500   2HB   GLU  72          1HB       GLU  72  -8.814   8.273   8.273
  501   1HG   GLU  72          2HG       GLU  72  -8.468  10.058  10.058
  502   2HG   GLU  72          1HG       GLU  72  -6.869  10.408  10.408
  503    H    CYS  73           H        CYS  73  -6.532   6.031   6.031
  504    HA   CYS  73           HA       CYS  73  -7.147   7.182   7.182
  505   1HB   CYS  73          2HB       CYS  73  -5.359   4.962   4.962
  506   2HB   CYS  73          1HB       CYS  73  -5.347   5.383   5.383
  507    HG   CYS  73           HG       CYS  73  -7.477   4.156   4.156
  508    H    VAL  74           H        VAL  74  -3.939   6.913   6.913
  509    HA   VAL  74           HA       VAL  74  -2.793   8.803   8.803
  510    HB   VAL  74           HB       VAL  74  -0.704   8.119   8.119
  511   1HG1  VAL  74          3HG1      VAL  74  -2.654   6.247   6.247
  512   2HG1  VAL  74          2HG1      VAL  74  -1.747   5.483   5.483
  513   3HG1  VAL  74          1HG1      VAL  74  -0.899   6.118   6.118
  514   1HG2  VAL  74          3HG2      VAL  74  -2.458   7.156   7.156
  515   2HG2  VAL  74          2HG2      VAL  74  -1.129   8.312   8.312
  516   3HG2  VAL  74          1HG2      VAL  74  -0.795   6.602   6.602
  517    H    THR  75           H        THR  75  -3.188  10.937  10.937
  518    HA   THR  75           HA       THR  75  -4.162  12.112  12.112
  519    HB   THR  75           HB       THR  75  -3.863  13.160  13.160
  520    HG1  THR  75          1HG       THR  75  -4.129  14.466  14.466
  521   1HG2  THR  75          1HG2      THR  75  -1.164  12.366  12.366
  522   2HG2  THR  75          3HG2      THR  75  -1.184  14.128  14.128
  523   3HG2  THR  75          2HG2      THR  75  -1.845  13.158  13.158
  524    H    ALA  76           H        ALA  76  -3.124  11.131  11.131
  525    HA   ALA  76           HA       ALA  76  -0.361  12.173  12.173
  526   1HB   ALA  76          2HB       ALA  76  -1.275   9.530   9.530
  527   2HB   ALA  76          1HB       ALA  76  -1.149   9.806   9.806
  528   3HB   ALA  76          3HB       ALA  76   0.259  10.045  10.045
  529    H    GLU  77           H        GLU  77  -2.678  13.657  13.657
  530    HA   GLU  77           HA       GLU  77  -3.948  14.523  14.523
  531   1HB   GLU  77          2HB       GLU  77  -2.393  15.227  15.227
  532   2HB   GLU  77          1HB       GLU  77  -1.687  15.490  15.490
  533   1HG   GLU  77          2HG       GLU  77  -0.312  13.537  13.537
  534   2HG   GLU  77          1HG       GLU  77  -1.178  12.989  12.989
  535    H    LEU  78           H        LEU  78  -4.865  12.138  12.138
  536    HA   LEU  78           HA       LEU  78  -4.578  10.021  10.021
  537   1HB   LEU  78          2HB       LEU  78  -6.588  11.253  11.253
  538   2HB   LEU  78          1HB       LEU  78  -7.229  11.252  11.252
  539    HG   LEU  78           HG       LEU  78  -6.595   8.797   8.797
  540   1HD1  LEU  78          3HD1      LEU  78  -5.738   9.461   9.461
  541   2HD1  LEU  78          2HD1      LEU  78  -6.644   7.955   7.955
  542   3HD1  LEU  78          1HD1      LEU  78  -5.161   8.197   8.197
  543   1HD2  LEU  78          2HD2      LEU  78  -8.717  10.010  10.010
  544   2HD2  LEU  78          1HD2      LEU  78  -8.860   8.960   8.960
  545   3HD2  LEU  78          3HD2      LEU  78  -8.484   8.271   8.271
  546    H    LYS  79           H        LYS  79  -4.402   9.603   9.603
  547    HA   LYS  79           HA       LYS  79  -4.919  11.856  11.856
  548   1HB   LYS  79          2HB       LYS  79  -3.282   9.408   9.408
  549   2HB   LYS  79          1HB       LYS  79  -3.140  11.002  11.002
  550   1HG   LYS  79          2HG       LYS  79  -2.476  11.908  11.908
  551   2HG   LYS  79          1HG       LYS  79  -2.419  10.241  10.241
  552   1HD   LYS  79          2HD       LYS  79  -0.755  11.474  11.474
  553   2HD   LYS  79          1HD       LYS  79  -0.190  10.784  10.784
  554   1HE   LYS  79          2HE       LYS  79  -1.003   8.583   8.583
  555   2HE   LYS  79          1HE       LYS  79  -1.607   9.262   9.262
  556   1HZ   LYS  79          1HZ       LYS  79   1.216   9.516   9.516
  557   2HZ   LYS  79          3HZ       LYS  79   0.689   8.277   8.277
  558   3HZ   LYS  79          2HZ       LYS  79   0.579   9.897   9.897
  559    HA   PRO  80           HA       PRO  80  -8.006   9.554   9.554
  560   1HB   PRO  80          2HB       PRO  80  -7.240   9.567   9.567
  561   2HB   PRO  80          1HB       PRO  80  -7.923  10.984  10.984
  562   1HG   PRO  80          2HG       PRO  80  -5.072  10.314  10.314
  563   2HG   PRO  80          1HG       PRO  80  -5.911  11.868  11.868
  564   1HD   PRO  80          2HD       PRO  80  -4.325  11.284  11.284
  565   2HD   PRO  80          1HD       PRO  80  -5.775  12.292  12.292
  566    H    ASN  81           H        ASN  81  -4.677   8.581   8.581
  567    HA   ASN  81           HA       ASN  81  -5.616   5.831   5.831
  568   1HB   ASN  81          2HB       ASN  81  -3.201   5.556   5.556
  569   2HB   ASN  81          1HB       ASN  81  -4.016   6.828   6.828
  570   1HD2  ASN  81          2HD2      ASN  81  -0.718   7.796   7.796
  571   2HD2  ASN  81          1HD2      ASN  81  -1.129   6.249   6.249
  572    H    SER  82           H        SER  82  -4.444   7.636   7.636
  573    HA   SER  82           HA       SER  82  -2.748   5.897   5.897
  574   1HB   SER  82          2HB       SER  82  -5.153   7.443   7.443
  575   2HB   SER  82          1HB       SER  82  -3.788   6.903   6.903
  576    HG   SER  82           HG       SER  82  -2.676   8.158   8.158
  577    H    ARG  83           H        ARG  83  -3.132   4.104   4.104
  578    HA   ARG  83           HA       ARG  83  -5.848   2.963   2.963
  579   1HB   ARG  83          2HB       ARG  83  -3.723   2.093   2.093
  580   2HB   ARG  83          1HB       ARG  83  -4.489   0.792   0.792
  581   1HG   ARG  83          2HG       ARG  83  -6.162   2.874   2.874
  582   2HG   ARG  83          1HG       ARG  83  -5.527   1.485   1.485
  583   1HD   ARG  83          2HD       ARG  83  -6.558   0.323   0.323
  584   2HD   ARG  83          1HD       ARG  83  -7.737   1.596   1.596
  585    HE   ARG  83           HE       ARG  83  -6.969  -0.623  -0.623
  586   1HH1  ARG  83          1HH2      ARG  83  -7.839   2.506   2.506
  587   2HH1  ARG  83          2HH2      ARG  83  -9.362   2.174   2.174
  588   1HH2  ARG  83          1HH1      ARG  83  -9.342  -1.191  -1.191
  589   2HH2  ARG  83          2HH1      ARG  83 -10.212   0.079   0.079
  590    H    LEU  84           H        LEU  84  -5.933   1.329   1.329
  591    HA   LEU  84           HA       LEU  84  -3.788   1.415   1.415
  592   1HB   LEU  84          2HB       LEU  84  -6.538   0.627   0.627
  593   2HB   LEU  84          1HB       LEU  84  -5.620  -0.795  -0.795
  594    HG   LEU  84           HG       LEU  84  -5.800   1.868   1.868
  595   1HD1  LEU  84          1HD1      LEU  84  -6.738  -0.898  -0.898
  596   2HD1  LEU  84          3HD1      LEU  84  -6.009  -0.216  -0.216
  597   3HD1  LEU  84          2HD1      LEU  84  -7.376   0.598   0.598
  598   1HD2  LEU  84          2HD2      LEU  84  -3.628  -0.176  -0.176
  599   2HD2  LEU  84          1HD2      LEU  84  -3.541   1.549   1.549
  600   3HD2  LEU  84          3HD2      LEU  84  -4.141   0.417   0.417
  601    H    SER  85           H        SER  85  -2.041   0.058   0.058
  602    HA   SER  85           HA       SER  85  -1.209  -1.419  -1.419
  603   1HB   SER  85          2HB       SER  85  -0.600  -2.513  -2.513
  604   2HB   SER  85          1HB       SER  85   0.473  -2.127  -2.127
  605    HG   SER  85           HG       SER  85   0.798  -0.507  -0.507
  606    H    CYS  86           H        CYS  86  -3.718  -2.440  -2.440
  607    HA   CYS  86           HA       CYS  86  -3.549  -5.194  -5.194
  608   1HB   CYS  86          2HB       CYS  86  -5.092  -4.257  -4.257
  609   2HB   CYS  86          1HB       CYS  86  -4.673  -5.910  -5.910
  610    H    GLN  87           H        GLN  87  -4.619  -3.098  -3.098
  611    HA   GLN  87           HA       GLN  87  -7.499  -3.897  -3.897
  612   1HB   GLN  87          2HB       GLN  87  -6.325  -1.300  -1.300
  613   2HB   GLN  87          1HB       GLN  87  -8.012  -1.665  -1.665
  614   1HG   GLN  87          2HG       GLN  87  -5.929  -1.793  -1.793
  615   2HG   GLN  87          1HG       GLN  87  -6.685  -0.279  -0.279
  616   1HE2  GLN  87          2HE2      GLN  87  -8.615  -2.518  -2.518
  617   2HE2  GLN  87          1HE2      GLN  87  -6.936  -2.429  -2.429
  618    H    ILE  88           H        ILE  88  -4.717  -2.713  -2.713
  619    HA   ILE  88           HA       ILE  88  -5.903  -3.433  -3.433
  620    HB   ILE  88           HB       ILE  88  -3.013  -3.040  -3.040
  621   1HG1  ILE  88          2HG1      ILE  88  -4.751  -0.928  -0.928
  622   2HG1  ILE  88          1HG1      ILE  88  -3.299  -1.681  -1.681
  623   1HG2  ILE  88          1HG2      ILE  88  -5.144  -2.630  -2.630
  624   2HG2  ILE  88          3HG2      ILE  88  -4.795  -0.989  -0.989
  625   3HG2  ILE  88          2HG2      ILE  88  -3.537  -1.945  -1.945
  626   1HD1  ILE  88          1HD1      ILE  88  -3.383   0.065   0.065
  627   2HD1  ILE  88          3HD1      ILE  88  -2.807   0.577   0.577
  628   3HD1  ILE  88          2HD1      ILE  88  -1.939  -0.672  -0.672
  629    H    ILE  89           H        ILE  89  -5.379  -5.206  -5.206
  630    HA   ILE  89           HA       ILE  89  -3.808  -7.362  -7.362
  631    HB   ILE  89           HB       ILE  89  -6.149  -7.281  -7.281
  632   1HG1  ILE  89          2HG1      ILE  89  -6.821  -7.200  -7.200
  633   2HG1  ILE  89          1HG1      ILE  89  -7.047  -8.875  -8.875
  634   1HG2  ILE  89          2HG2      ILE  89  -4.476  -8.946  -8.946
  635   2HG2  ILE  89          1HG2      ILE  89  -4.542  -9.728  -9.728
  636   3HG2  ILE  89          3HG2      ILE  89  -5.974  -9.697  -9.697
  637   1HD1  ILE  89          1HD1      ILE  89  -4.682  -9.301  -9.301
  638   2HD1  ILE  89          3HD1      ILE  89  -4.808  -7.717  -7.717
  639   3HD1  ILE  89          2HD1      ILE  89  -5.936  -9.000  -9.000
  640    H    MET  90           H        MET  90  -2.454  -8.684  -8.684
  641    HA   MET  90           HA       MET  90  -1.470  -7.090  -7.090
  642   1HB   MET  90          2HB       MET  90  -0.188  -7.994  -7.994
  643   2HB   MET  90          1HB       MET  90   0.129  -9.311  -9.311
  644   1HG   MET  90          2HG       MET  90   1.892  -7.552  -7.552
  645   2HG   MET  90          1HG       MET  90   1.074  -7.755  -7.755
  646   1HE   MET  90          1HE       MET  90   0.631  -6.359  -6.359
  647   2HE   MET  90          3HE       MET  90  -0.867  -5.476  -5.476
  648   3HE   MET  90          2HE       MET  90   0.654  -4.602  -4.602
  649    H    THR  91           H        THR  91  -2.586  -7.918  -7.918
  650    HA   THR  91           HA       THR  91  -2.874 -10.873 -10.873
  651    HB   THR  91           HB       THR  91  -4.167  -9.832  -9.832
  652    HG1  THR  91          1HG       THR  91  -5.098  -7.820  -7.820
  653   1HG2  THR  91          2HG2      THR  91  -5.129  -9.782  -9.782
  654   2HG2  THR  91          1HG2      THR  91  -6.181  -9.703  -9.703
  655   3HG2  THR  91          3HG2      THR  91  -5.220 -11.151 -11.151
  656    HA   PRO  92           HA       PRO  92   0.232 -11.184 -11.184
  657   1HB   PRO  92          2HB       PRO  92  -0.896 -12.859 -12.859
  658   2HB   PRO  92          1HB       PRO  92  -0.326 -13.406 -13.406
  659   1HG   PRO  92          2HG       PRO  92  -3.091 -12.854 -12.854
  660   2HG   PRO  92          1HG       PRO  92  -2.495 -14.087 -14.087
  661   1HD   PRO  92          2HD       PRO  92  -3.746 -11.766 -11.766
  662   2HD   PRO  92          1HD       PRO  92  -2.634 -12.697 -12.697
  663    H    GLU  93           H        GLU  93  -2.584  -9.513  -9.513
  664    HA   GLU  93           HA       GLU  93  -1.757  -8.765  -8.765
  665   1HB   GLU  93          2HB       GLU  93  -4.159  -7.803  -7.803
  666   2HB   GLU  93          1HB       GLU  93  -4.002  -9.560  -9.560
  667   1HG   GLU  93          2HG       GLU  93  -4.535  -9.731  -9.731
  668   2HG   GLU  93          1HG       GLU  93  -4.167  -8.034  -8.034
  669    H    LEU  94           H        LEU  94  -2.473  -7.556  -7.556
  670    HA   LEU  94           HA       LEU  94  -1.946  -4.739  -4.739
  671   1HB   LEU  94          2HB       LEU  94  -2.571  -5.952  -5.952
  672   2HB   LEU  94          1HB       LEU  94  -2.755  -4.270  -4.270
  673    HG   LEU  94           HG       LEU  94  -4.406  -6.652  -6.652
  674   1HD1  LEU  94          2HD1      LEU  94  -5.045  -3.826  -3.826
  675   2HD1  LEU  94          1HD1      LEU  94  -6.240  -5.073  -5.073
  676   3HD1  LEU  94          3HD1      LEU  94  -5.137  -5.274  -5.274
  677   1HD2  LEU  94          3HD2      LEU  94  -3.619  -5.507  -5.507
  678   2HD2  LEU  94          2HD2      LEU  94  -5.365  -5.375  -5.375
  679   3HD2  LEU  94          1HD2      LEU  94  -4.316  -4.005  -4.005
  680    H    ASP  95           H        ASP  95   0.123  -6.731  -6.731
  681    HA   ASP  95           HA       ASP  95   1.851  -6.321  -6.321
  682   1HB   ASP  95          2HB       ASP  95   3.024  -8.119  -8.119
  683   2HB   ASP  95          1HB       ASP  95   1.407  -8.408  -8.408
  684    H    GLY  96           H        GLY  96   3.967  -5.423  -5.423
  685   1HA   GLY  96          2HA       GLY  96   5.720  -4.119  -4.119
  686   2HA   GLY  96          1HA       GLY  96   4.597  -3.748  -3.748
  687    H    ILE  97           H        ILE  97   3.446  -3.628  -3.628
  688    HA   ILE  97           HA       ILE  97   2.690  -0.845  -0.845
  689    HB   ILE  97           HB       ILE  97   1.237  -2.512  -2.512
  690   1HG1  ILE  97          2HG1      ILE  97   1.591   0.008   0.008
  691   2HG1  ILE  97          1HG1      ILE  97   0.393  -1.078  -1.078
  692   1HG2  ILE  97          3HG2      ILE  97   3.664  -2.972  -2.972
  693   2HG2  ILE  97          2HG2      ILE  97   2.101  -3.147  -3.147
  694   3HG2  ILE  97          1HG2      ILE  97   2.483  -4.129  -4.129
  695   1HD1  ILE  97          3HD1      ILE  97   3.146  -1.222  -1.222
  696   2HD1  ILE  97          2HD1      ILE  97   2.213   0.229   0.229
  697   3HD1  ILE  97          1HD1      ILE  97   1.588  -1.359  -1.359
  698    H    VAL  98           H        VAL  98   3.238   0.876   0.876
  699    HA   VAL  98           HA       VAL  98   5.868   0.612   0.612
  700    HB   VAL  98           HB       VAL  98   4.533   3.070   3.070
  701   1HG1  VAL  98          2HG1      VAL  98   7.394   2.475   2.475
  702   2HG1  VAL  98          1HG1      VAL  98   6.829   3.984   3.984
  703   3HG1  VAL  98          3HG1      VAL  98   6.263   3.501   3.501
  704   1HG2  VAL  98          2HG2      VAL  98   5.054   1.205   1.205
  705   2HG2  VAL  98          1HG2      VAL  98   5.840   2.752   2.752
  706   3HG2  VAL  98          3HG2      VAL  98   6.753   1.433   1.433
  707    H    VAL  99           H        VAL  99   5.636   0.808   0.808
  708    HA   VAL  99           HA       VAL  99   3.091   2.009   2.009
  709    HB   VAL  99           HB       VAL  99   5.136   0.739   0.739
  710   1HG1  VAL  99          2HG1      VAL  99   2.232   1.192   1.192
  711   2HG1  VAL  99          1HG1      VAL  99   2.718  -0.380  -0.380
  712   3HG1  VAL  99          3HG1      VAL  99   3.341   1.100   1.100
  713   1HG2  VAL  99          1HG2      VAL  99   3.817  -0.596  -0.596
  714   2HG2  VAL  99          3HG2      VAL  99   5.315  -0.977  -0.977
  715   3HG2  VAL  99          2HG2      VAL  99   3.771  -1.447  -1.447
  716    H    ASP 100           H        ASP 100   3.619   2.851   2.851
  717    HA   ASP 100           HA       ASP 100   6.126   4.238   4.238
  718   1HB   ASP 100          2HB       ASP 100   3.603   5.699   5.699
  719   2HB   ASP 100          1HB       ASP 100   4.916   6.495   6.495
  720    H    VAL 101           H        VAL 101   6.470   4.414   4.414
  721    HA   VAL 101           HA       VAL 101   4.217   3.849   3.849
  722    HB   VAL 101           HB       VAL 101   7.229   4.101   4.101
  723   1HG1  VAL 101          2HG1      VAL 101   5.317   4.607   4.607
  724   2HG1  VAL 101          1HG1      VAL 101   5.839   2.947   2.947
  725   3HG1  VAL 101          3HG1      VAL 101   7.026   4.251   4.251
  726   1HG2  VAL 101          3HG2      VAL 101   5.775   2.020   2.020
  727   2HG2  VAL 101          2HG2      VAL 101   7.261   1.797   1.797
  728   3HG2  VAL 101          1HG2      VAL 101   5.698   1.655   1.655
  729    HA   PRO 102           HA       PRO 102   3.760   8.295   8.295
  730   1HB   PRO 102          2HB       PRO 102   1.593   8.279   8.279
  731   2HB   PRO 102          1HB       PRO 102   1.486   7.951   7.951
  732   1HG   PRO 102          2HG       PRO 102   1.605   6.024   6.024
  733   2HG   PRO 102          1HG       PRO 102   0.564   6.006   6.006
  734   1HD   PRO 102          2HD       PRO 102   2.740   4.451   4.451
  735   2HD   PRO 102          1HD       PRO 102   2.243   5.196   5.196
  736    H    ASP 103           H        ASP 103   4.699   9.767   9.767
  737    HA   ASP 103           HA       ASP 103   5.329   8.904   8.904
  738   1HB   ASP 103          2HB       ASP 103   7.015   9.606   9.606
  739   2HB   ASP 103          1HB       ASP 103   6.674  11.208  11.208
  740    H    ARG 104           H        ARG 104   3.936   9.876   9.876
  741    HA   ARG 104           HA       ARG 104   2.930  12.611  12.611
  742   1HB   ARG 104          2HB       ARG 104   1.567  11.275  11.275
  743   2HB   ARG 104          1HB       ARG 104   0.898  11.910  11.910
  744   1HG   ARG 104          2HG       ARG 104   0.445   9.729   9.729
  745   2HG   ARG 104          1HG       ARG 104   2.137   9.633   9.633
  746   1HD   ARG 104          2HD       ARG 104   0.861   8.822   8.822
  747   2HD   ARG 104          1HD       ARG 104   1.882   7.850   7.850
  748    HE   ARG 104           HE       ARG 104   3.115  10.277  10.277
  749   1HH1  ARG 104          1HH1      ARG 104   3.982   7.381   7.381
  750   2HH1  ARG 104          2HH1      ARG 104   4.848   6.819   6.819
  751   1HH2  ARG 104          1HH2      ARG 104   3.676   9.338   9.338
  752   2HH2  ARG 104          2HH2      ARG 104   4.675   7.927   7.927
  753    H    GLN 105           H        GLN 105   5.184  13.240  13.240
  754    HA   GLN 105           HA       GLN 105   5.254  13.226  13.226
  755   1HB   GLN 105          2HB       GLN 105   7.147  12.436  12.436
  756   2HB   GLN 105          1HB       GLN 105   7.426  14.157  14.157
  757   1HG   GLN 105          2HG       GLN 105   7.128  13.505  13.505
  758   2HG   GLN 105          1HG       GLN 105   8.477  12.650  12.650
  759   1HE2  GLN 105          2HE2      GLN 105   9.946  15.899  15.899
  760   2HE2  GLN 105          1HE2      GLN 105   9.444  14.476  14.476
  761    H    TRP 106           H        TRP 106   3.385  14.984  14.984
  762    HA   TRP 106           HA       TRP 106   4.687  17.666  17.666
  763   1HB   TRP 106          2HB       TRP 106   2.787  16.439  16.439
  764   2HB   TRP 106          1HB       TRP 106   2.059  17.855  17.855
  765    HD1  TRP 106           HD       TRP 106   4.138  16.957  16.957
  766    HE1  TRP 106          1HE       TRP 106   5.409  19.001  19.001
  767    HE3  TRP 106          3HE       TRP 106   3.472  20.230  20.230
  768    HZ2  TRP 106          2HZ       TRP 106   6.059  21.673  21.673
  769    HZ3  TRP 106          3HZ       TRP 106   4.426  22.516  22.516
  770    HH2  TRP 106           HH       TRP 106   5.718  23.240  23.240

  Start of MODEL   18
    1   1H    SER   1          3HT       SER   1   2.804 -11.030 -11.030
    2   2H    SER   1          2HT       SER   1   1.437 -11.105 -11.105
    3   3H    SER   1          1HT       SER   1   2.926 -11.719 -11.719
    4    HA   SER   1           HA       SER   1   2.959  -9.708  -9.708
    5   1HB   SER   1          2HB       SER   1   1.854  -8.067  -8.067
    6   2HB   SER   1          1HB       SER   1   1.345  -8.179  -8.179
    7    HG   SER   1           HG       SER   1  -0.005  -9.768  -9.768
    8    H    LYS   2           H        LYS   2   4.494  -7.954  -7.954
    9    HA   LYS   2           HA       LYS   2   6.477  -8.320  -8.320
   10   1HB   LYS   2          2HB       LYS   2   6.734  -8.013  -8.013
   11   2HB   LYS   2          1HB       LYS   2   6.672  -6.300  -6.300
   12   1HG   LYS   2          2HG       LYS   2   8.441  -7.021  -7.021
   13   2HG   LYS   2          1HG       LYS   2   8.727  -8.363  -8.363
   14   1HD   LYS   2          2HD       LYS   2   8.952  -6.615  -6.615
   15   2HD   LYS   2          1HD       LYS   2   9.001  -5.404  -5.404
   16   1HE   LYS   2          2HE       LYS   2  10.867  -7.004  -7.004
   17   2HE   LYS   2          1HE       LYS   2  11.024  -7.508  -7.508
   18   1HZ   LYS   2          2HZ       LYS   2  10.789  -4.648  -4.648
   19   2HZ   LYS   2          1HZ       LYS   2  12.293  -5.411  -5.411
   20   3HZ   LYS   2          3HZ       LYS   2  11.558  -5.399  -5.399
   21    H    VAL   3           H        VAL   3   6.321  -6.996  -6.996
   22    HA   VAL   3           HA       VAL   3   5.087  -4.303  -4.303
   23    HB   VAL   3           HB       VAL   3   4.768  -6.394  -6.394
   24   1HG1  VAL   3          3HG1      VAL   3   4.342  -3.404  -3.404
   25   2HG1  VAL   3          2HG1      VAL   3   3.701  -4.645  -4.645
   26   3HG1  VAL   3          1HG1      VAL   3   5.443  -4.446  -4.446
   27   1HG2  VAL   3          3HG2      VAL   3   3.080  -4.813  -4.813
   28   2HG2  VAL   3          2HG2      VAL   3   2.916  -6.490  -6.490
   29   3HG2  VAL   3          1HG2      VAL   3   2.376  -5.186  -5.186
   30    H    VAL   4           H        VAL   4   6.130  -2.570  -2.570
   31    HA   VAL   4           HA       VAL   4   8.606  -3.175  -3.175
   32    HB   VAL   4           HB       VAL   4   8.159  -1.366  -1.366
   33   1HG1  VAL   4          3HG1      VAL   4  10.011  -1.039  -1.039
   34   2HG1  VAL   4          2HG1      VAL   4  10.734  -0.861  -0.861
   35   3HG1  VAL   4          1HG1      VAL   4   9.386   0.170   0.170
   36   1HG2  VAL   4          3HG2      VAL   4   9.558  -3.862  -3.862
   37   2HG2  VAL   4          2HG2      VAL   4   9.159  -3.127  -3.127
   38   3HG2  VAL   4          1HG2      VAL   4  10.630  -2.652  -2.652
   39    H    TYR   5           H        TYR   5   8.495  -2.253  -2.253
   40    HA   TYR   5           HA       TYR   5   6.524  -0.104  -0.104
   41   1HB   TYR   5          2HB       TYR   5   8.284  -1.676  -1.676
   42   2HB   TYR   5          1HB       TYR   5   6.837  -0.770  -0.770
   43    HD1  TYR   5          2HD       TYR   5   4.748  -1.368  -1.368
   44    HD2  TYR   5          1HD       TYR   5   8.046  -4.019  -4.019
   45    HE1  TYR   5          2HE       TYR   5   3.292  -3.327  -3.327
   46    HE2  TYR   5          1HE       TYR   5   6.588  -5.937  -5.937
   47    HH   TYR   5           HH       TYR   5   3.723  -6.193  -6.193
   48    H    VAL   6           H        VAL   6   7.089   1.886   1.886
   49    HA   VAL   6           HA       VAL   6  10.032   2.527   2.527
   50    HB   VAL   6           HB       VAL   6   7.791   4.495   4.495
   51   1HG1  VAL   6          3HG1      VAL   6  10.494   4.820   4.820
   52   2HG1  VAL   6          2HG1      VAL   6  10.372   4.707   4.707
   53   3HG1  VAL   6          1HG1      VAL   6   9.462   5.942   5.942
   54   1HG2  VAL   6          2HG2      VAL   6   8.486   2.282   2.282
   55   2HG2  VAL   6          1HG2      VAL   6   7.295   3.548   3.548
   56   3HG2  VAL   6          3HG2      VAL   6   8.962   3.784   3.784
   57    H    SER   7           H        SER   7  10.691   2.790   2.790
   58    HA   SER   7           HA       SER   7   8.805   3.570   3.570
   59   1HB   SER   7          2HB       SER   7  10.392   2.466   2.466
   60   2HB   SER   7          1HB       SER   7  11.385   2.338   2.338
   61    HG   SER   7           HG       SER   7  11.937   3.704   3.704
   62    H    HIS   8           H        HIS   8   8.359   5.659   5.659
   63    HA   HIS   8           HA       HIS   8   8.893   7.901   7.901
   64   1HB   HIS   8          2HB       HIS   8   8.986   9.003   9.003
   65   2HB   HIS   8          1HB       HIS   8   7.517   8.290   8.290
   66    HD1  HIS   8          1HD       HIS   8   6.434   6.946   6.946
   67    HD2  HIS   8          2HD       HIS   8  10.566   6.608   6.608
   68    HE1  HIS   8          1HE       HIS   8   6.883   5.310   5.310
   69    H    ASP   9           H        ASP   9  11.321   6.386   6.386
   70    HA   ASP   9           HA       ASP   9  13.151   8.608   8.608
   71   1HB   ASP   9          2HB       ASP   9  14.581   7.074   7.074
   72   2HB   ASP   9          1HB       ASP   9  12.993   6.394   6.394
   73    H    GLY  10           H        GLY  10  12.142   6.601   6.601
   74   1HA   GLY  10          2HA       GLY  10  12.884   7.187   7.187
   75   2HA   GLY  10          1HA       GLY  10  14.506   7.406   7.406
   76    H    THR  11           H        THR  11  14.360   4.937   4.937
   77    HA   THR  11           HA       THR  11  15.434   3.082   3.082
   78    HB   THR  11           HB       THR  11  15.627   3.311   3.311
   79    HG1  THR  11          1HG       THR  11  15.645   0.806   0.806
   80   1HG2  THR  11          1HG2      THR  11  13.098   3.044   3.044
   81   2HG2  THR  11          3HG2      THR  11  13.345   1.336   1.336
   82   3HG2  THR  11          2HG2      THR  11  14.090   2.055   2.055
   83    H    ARG  12           H        ARG  12  14.453   1.618   1.618
   84    HA   ARG  12           HA       ARG  12  11.490   1.276   1.276
   85   1HB   ARG  12          2HB       ARG  12  13.352   1.826   1.826
   86   2HB   ARG  12          1HB       ARG  12  12.093   0.645   0.645
   87   1HG   ARG  12          2HG       ARG  12  10.354   2.186   2.186
   88   2HG   ARG  12          1HG       ARG  12  11.494   3.315   3.315
   89   1HD   ARG  12          2HD       ARG  12  12.010   2.607   2.607
   90   2HD   ARG  12          1HD       ARG  12  10.596   3.632   3.632
   91    HE   ARG  12           HE       ARG  12  12.672   4.665   4.665
   92   1HH1  ARG  12          1HH2      ARG  12  13.000   3.621   3.621
   93   2HH1  ARG  12          2HH2      ARG  12  13.520   5.150   5.150
   94   1HH2  ARG  12          1HH1      ARG  12  12.917   6.866   6.866
   95   2HH2  ARG  12          2HH1      ARG  12  13.473   6.986   6.986
   96    H    ARG  13           H        ARG  13  10.755  -0.798  -0.798
   97    HA   ARG  13           HA       ARG  13  12.725  -3.038  -3.038
   98   1HB   ARG  13          2HB       ARG  13  11.276  -2.405  -2.405
   99   2HB   ARG  13          1HB       ARG  13   9.957  -3.170  -3.170
  100   1HG   ARG  13          2HG       ARG  13  10.763  -5.238  -5.238
  101   2HG   ARG  13          1HG       ARG  13  12.409  -4.763  -4.763
  102   1HD   ARG  13          2HD       ARG  13  11.128  -4.023  -4.023
  103   2HD   ARG  13          1HD       ARG  13  12.094  -5.495  -5.495
  104    HE   ARG  13           HE       ARG  13  13.196  -2.793  -2.793
  105   1HH1  ARG  13          1HH2      ARG  13  14.922  -5.059  -5.059
  106   2HH1  ARG  13          2HH2      ARG  13  15.887  -5.271  -5.271
  107   1HH2  ARG  13          1HH1      ARG  13  13.769  -3.425  -3.425
  108   2HH2  ARG  13          2HH1      ARG  13  15.235  -4.346  -4.346
  109    H    GLU  14           H        GLU  14  12.143  -4.912  -4.912
  110    HA   GLU  14           HA       GLU  14   9.690  -4.542  -4.542
  111   1HB   GLU  14          2HB       GLU  14  12.334  -5.642  -5.642
  112   2HB   GLU  14          1HB       GLU  14  10.961  -5.102  -5.102
  113   1HG   GLU  14          2HG       GLU  14  11.296  -2.792  -2.792
  114   2HG   GLU  14          1HG       GLU  14  12.778  -3.377  -3.377
  115    H    LEU  15           H        LEU  15   8.365  -6.227  -6.227
  116    HA   LEU  15           HA       LEU  15   9.485  -8.880  -8.880
  117   1HB   LEU  15          2HB       LEU  15   7.122  -7.200  -7.200
  118   2HB   LEU  15          1HB       LEU  15   6.968  -8.954  -8.954
  119    HG   LEU  15           HG       LEU  15   9.398  -8.574  -8.574
  120   1HD1  LEU  15          3HD1      LEU  15   8.468  -6.035  -6.035
  121   2HD1  LEU  15          2HD1      LEU  15   7.972  -6.495  -6.495
  122   3HD1  LEU  15          1HD1      LEU  15   9.675  -6.588  -6.588
  123   1HD2  LEU  15          3HD2      LEU  15   6.679  -8.455  -8.455
  124   2HD2  LEU  15          2HD2      LEU  15   7.713  -9.873  -9.873
  125   3HD2  LEU  15          1HD2      LEU  15   8.149  -8.555  -8.555
  126    H    ASP  16           H        ASP  16   7.794 -10.607 -10.607
  127    HA   ASP  16           HA       ASP  16   6.868 -10.307 -10.307
  128   1HB   ASP  16          2HB       ASP  16   8.020 -12.478 -12.478
  129   2HB   ASP  16          1HB       ASP  16   6.784 -12.972 -12.972
  130    H    VAL  17           H        VAL  17   4.945  -9.187  -9.187
  131    HA   VAL  17           HA       VAL  17   3.134 -10.769 -10.769
  132    HB   VAL  17           HB       VAL  17   3.025  -7.945  -7.945
  133   1HG1  VAL  17          2HG1      VAL  17   0.945  -9.382  -9.382
  134   2HG1  VAL  17          1HG1      VAL  17   1.592  -8.706  -8.706
  135   3HG1  VAL  17          3HG1      VAL  17   1.089  -7.635  -7.635
  136   1HG2  VAL  17          1HG2      VAL  17   4.449  -9.209  -9.209
  137   2HG2  VAL  17          3HG2      VAL  17   4.708  -7.633  -7.633
  138   3HG2  VAL  17          2HG2      VAL  17   3.467  -7.830  -7.830
  139    H    ALA  18           H        ALA  18   1.445 -11.862 -11.862
  140    HA   ALA  18           HA       ALA  18   0.417 -11.058 -11.058
  141   1HB   ALA  18          3HB       ALA  18   1.471 -13.716 -13.716
  142   2HB   ALA  18          2HB       ALA  18   0.376 -13.604 -13.604
  143   3HB   ALA  18          1HB       ALA  18   1.948 -12.801 -12.801
  144    H    ASP  19           H        ASP  19  -1.470 -12.865 -12.865
  145    HA   ASP  19           HA       ASP  19  -3.743 -12.187 -12.187
  146   1HB   ASP  19          2HB       ASP  19  -4.668 -14.158 -14.158
  147   2HB   ASP  19          1HB       ASP  19  -3.321 -13.716 -13.716
  148    H    GLY  20           H        GLY  20  -4.094 -12.172 -12.172
  149   1HA   GLY  20          2HA       GLY  20  -4.673 -13.564 -13.564
  150   2HA   GLY  20          1HA       GLY  20  -3.283 -14.575 -14.575
  151    H    VAL  21           H        VAL  21  -1.727 -11.979 -11.979
  152    HA   VAL  21           HA       VAL  21  -1.091 -11.417 -11.417
  153    HB   VAL  21           HB       VAL  21   0.661 -10.755 -10.755
  154   1HG1  VAL  21          2HG1      VAL  21   1.089 -10.030 -10.030
  155   2HG1  VAL  21          1HG1      VAL  21   1.404 -11.733 -11.733
  156   3HG1  VAL  21          3HG1      VAL  21   2.409 -10.859 -10.859
  157   1HG2  VAL  21          3HG2      VAL  21  -0.144 -13.423 -13.423
  158   2HG2  VAL  21          2HG2      VAL  21   0.714 -12.960 -12.960
  159   3HG2  VAL  21          1HG2      VAL  21   1.602 -13.173 -13.173
  160    H    SER  22           H        SER  22  -0.543  -9.258  -9.258
  161    HA   SER  22           HA       SER  22  -1.788  -7.133  -7.133
  162   1HB   SER  22          2HB       SER  22  -1.705  -6.397  -6.397
  163   2HB   SER  22          1HB       SER  22  -3.129  -6.810  -6.810
  164    HG   SER  22           HG       SER  22  -2.968  -8.210  -8.210
  165    H    LEU  23           H        LEU  23  -0.730  -4.888  -4.888
  166    HA   LEU  23           HA       LEU  23   2.119  -5.024  -5.024
  167   1HB   LEU  23          2HB       LEU  23   0.218  -2.824  -2.824
  168   2HB   LEU  23          1HB       LEU  23   1.944  -2.565  -2.565
  169    HG   LEU  23           HG       LEU  23   1.976  -2.966  -2.966
  170   1HD1  LEU  23          2HD1      LEU  23   0.511  -4.948  -4.948
  171   2HD1  LEU  23          1HD1      LEU  23  -0.892  -3.913  -3.913
  172   3HD1  LEU  23          3HD1      LEU  23   0.021  -3.793  -3.793
  173   1HD2  LEU  23          3HD2      LEU  23  -0.479  -1.393  -1.393
  174   2HD2  LEU  23          2HD2      LEU  23   1.133  -0.769  -0.769
  175   3HD2  LEU  23          1HD2      LEU  23   0.139  -1.425  -1.425
  176    H    MET  24           H        MET  24  -0.023  -5.183  -5.183
  177    HA   MET  24           HA       MET  24   1.967  -4.526  -4.526
  178   1HB   MET  24          2HB       MET  24  -0.324  -4.035  -4.035
  179   2HB   MET  24          1HB       MET  24  -0.815  -5.678  -5.678
  180   1HG   MET  24          2HG       MET  24   1.189  -5.814  -5.814
  181   2HG   MET  24          1HG       MET  24  -0.012  -4.633  -4.633
  182   1HE   MET  24          2HE       MET  24   0.077  -6.067  -6.067
  183   2HE   MET  24          1HE       MET  24  -1.663  -6.272  -6.272
  184   3HE   MET  24          3HE       MET  24  -0.600  -7.685  -7.685
  185    H    GLN  25           H        GLN  25  -0.008  -7.408  -7.408
  186    HA   GLN  25           HA       GLN  25   1.299  -9.231  -9.231
  187   1HB   GLN  25          2HB       GLN  25  -0.666  -9.810  -9.810
  188   2HB   GLN  25          1HB       GLN  25  -0.044  -9.290  -9.290
  189   1HG   GLN  25          2HG       GLN  25   1.380 -11.230 -11.230
  190   2HG   GLN  25          1HG       GLN  25   0.999 -11.697 -11.697
  191   1HE2  GLN  25          2HE2      GLN  25  -2.460 -11.805 -11.805
  192   2HE2  GLN  25          1HE2      GLN  25  -1.665 -10.336 -10.336
  193    H    ALA  26           H        ALA  26   2.124  -9.195  -9.195
  194    HA   ALA  26           HA       ALA  26   4.452 -10.747 -10.747
  195   1HB   ALA  26          3HB       ALA  26   3.299  -8.615  -8.615
  196   2HB   ALA  26          2HB       ALA  26   5.066  -8.474  -8.474
  197   3HB   ALA  26          1HB       ALA  26   4.291  -9.979  -9.979
  198    H    ALA  27           H        ALA  27   4.738  -7.229  -7.229
  199    HA   ALA  27           HA       ALA  27   7.288  -6.920  -6.920
  200   1HB   ALA  27          3HB       ALA  27   4.742  -5.467  -5.467
  201   2HB   ALA  27          2HB       ALA  27   5.782  -4.854  -4.854
  202   3HB   ALA  27          1HB       ALA  27   6.359  -4.903  -4.903
  203    H    VAL  28           H        VAL  28   4.241  -7.267  -7.267
  204    HA   VAL  28           HA       VAL  28   5.080  -7.012  -7.012
  205    HB   VAL  28           HB       VAL  28   2.933  -8.107  -8.107
  206   1HG1  VAL  28          3HG1      VAL  28   3.942  -9.916  -9.916
  207   2HG1  VAL  28          2HG1      VAL  28   2.212  -9.791  -9.791
  208   3HG1  VAL  28          1HG1      VAL  28   3.291 -10.346 -10.346
  209   1HG2  VAL  28          3HG2      VAL  28   3.209  -7.244  -7.244
  210   2HG2  VAL  28          2HG2      VAL  28   2.550  -6.326  -6.326
  211   3HG2  VAL  28          1HG2      VAL  28   1.668  -7.714  -7.714
  212    H    SER  29           H        SER  29   4.915 -10.116 -10.116
  213    HA   SER  29           HA       SER  29   6.325 -11.768 -11.768
  214   1HB   SER  29          2HB       SER  29   7.150 -12.258 -12.258
  215   2HB   SER  29          1HB       SER  29   5.928 -13.127 -13.127
  216    HG   SER  29           HG       SER  29   4.611 -12.276 -12.276
  217    H    ASN  30           H        ASN  30   7.546  -9.709  -9.709
  218    HA   ASN  30           HA       ASN  30  10.338 -10.232 -10.232
  219   1HB   ASN  30          2HB       ASN  30   8.486  -8.436  -8.436
  220   2HB   ASN  30          1HB       ASN  30  10.030  -7.687  -7.687
  221   1HD2  ASN  30          2HD2      ASN  30   9.829 -10.711 -10.711
  222   2HD2  ASN  30          1HD2      ASN  30   8.518 -10.447 -10.447
  223    H    GLY  31           H        GLY  31   8.154  -8.781  -8.781
  224   1HA   GLY  31          2HA       GLY  31   8.592  -7.692  -7.692
  225   2HA   GLY  31          1HA       GLY  31  10.306  -7.651  -7.651
  226    H    ILE  32           H        ILE  32   8.341  -6.517  -6.517
  227    HA   ILE  32           HA       ILE  32   9.352  -3.811  -3.811
  228    HB   ILE  32           HB       ILE  32   7.092  -5.117  -5.117
  229   1HG1  ILE  32          2HG1      ILE  32  10.066  -5.155  -5.155
  230   2HG1  ILE  32          1HG1      ILE  32   8.907  -6.471  -6.471
  231   1HG2  ILE  32          1HG2      ILE  32   7.124  -2.648  -2.648
  232   2HG2  ILE  32          3HG2      ILE  32   8.808  -2.741  -2.741
  233   3HG2  ILE  32          2HG2      ILE  32   7.529  -3.466  -3.466
  234   1HD1  ILE  32          2HD1      ILE  32   8.039  -5.272  -5.272
  235   2HD1  ILE  32          1HD1      ILE  32   9.530  -4.343  -4.343
  236   3HD1  ILE  32          3HD1      ILE  32   9.588  -6.093  -6.093
  237    H    TYR  33           H        TYR  33   6.392  -5.453  -5.453
  238    HA   TYR  33           HA       TYR  33   5.261  -2.834  -2.834
  239   1HB   TYR  33          2HB       TYR  33   4.120  -5.497  -5.497
  240   2HB   TYR  33          1HB       TYR  33   3.167  -4.351  -4.351
  241    HD1  TYR  33          1HD       TYR  33   2.638  -2.109  -2.109
  242    HD2  TYR  33          2HD       TYR  33   4.683  -5.095  -5.095
  243    HE1  TYR  33          1HE       TYR  33   2.167  -0.829  -0.829
  244    HE2  TYR  33          2HE       TYR  33   4.211  -3.845  -3.845
  245    HH   TYR  33           HH       TYR  33   3.487  -0.779  -0.779
  246    H    ASP  34           H        ASP  34   7.154  -3.593  -3.593
  247    HA   ASP  34           HA       ASP  34   6.173  -5.371  -5.371
  248   1HB   ASP  34          2HB       ASP  34   8.134  -4.477  -4.477
  249   2HB   ASP  34          1HB       ASP  34   8.575  -4.863  -4.863
  250    H    ILE  35           H        ILE  35   4.091  -3.675  -3.675
  251    HA   ILE  35           HA       ILE  35   4.053  -1.293  -1.293
  252    HB   ILE  35           HB       ILE  35   1.787  -1.112  -1.112
  253   1HG1  ILE  35          2HG1      ILE  35   1.649  -3.410  -3.410
  254   2HG1  ILE  35          1HG1      ILE  35   2.022  -3.977  -3.977
  255   1HG2  ILE  35          3HG2      ILE  35   3.949  -2.059  -2.059
  256   2HG2  ILE  35          2HG2      ILE  35   2.375  -1.538  -1.538
  257   3HG2  ILE  35          1HG2      ILE  35   3.394  -0.411  -0.411
  258   1HD1  ILE  35          1HD1      ILE  35  -0.143  -1.933  -1.933
  259   2HD1  ILE  35          3HD1      ILE  35  -0.476  -3.655  -3.655
  260   3HD1  ILE  35          2HD1      ILE  35   0.074  -3.017  -3.017
  261    H    VAL  36           H        VAL  36   1.213  -1.780  -1.780
  262    HA   VAL  36           HA       VAL  36   1.757  -3.337  -3.337
  263    HB   VAL  36           HB       VAL  36   0.844  -0.887  -0.887
  264   1HG1  VAL  36          1HG1      VAL  36  -1.048  -1.989  -1.989
  265   2HG1  VAL  36          3HG1      VAL  36  -1.842  -2.191  -2.191
  266   3HG1  VAL  36          2HG1      VAL  36  -1.380  -0.581  -0.581
  267   1HG2  VAL  36          1HG2      VAL  36   0.725  -2.804  -2.804
  268   2HG2  VAL  36          3HG2      VAL  36   0.305  -1.103  -1.103
  269   3HG2  VAL  36          2HG2      VAL  36  -0.955  -2.288  -2.288
  270    H    GLY  37           H        GLY  37  -1.030  -3.874  -3.874
  271   1HA   GLY  37          2HA       GLY  37  -1.603  -5.941  -5.941
  272   2HA   GLY  37          1HA       GLY  37  -1.845  -6.232  -6.232
  273    H    ASP  38           H        ASP  38  -3.039  -4.387  -4.387
  274    HA   ASP  38           HA       ASP  38  -5.610  -3.950  -3.950
  275   1HB   ASP  38          2HB       ASP  38  -4.287  -2.336  -2.336
  276   2HB   ASP  38          1HB       ASP  38  -5.812  -1.928  -1.928
  277    H    CYS  39           H        CYS  39  -4.346  -4.092  -4.092
  278    HA   CYS  39           HA       CYS  39  -6.790  -5.000  -5.000
  279   1HB   CYS  39          2HB       CYS  39  -5.161  -5.484  -5.484
  280   2HB   CYS  39          1HB       CYS  39  -5.141  -3.849  -3.849
  281    H    GLY  40           H        GLY  40  -4.051  -6.664  -6.664
  282   1HA   GLY  40          2HA       GLY  40  -3.578  -8.972  -8.972
  283   2HA   GLY  40          1HA       GLY  40  -5.323  -9.114  -9.114
  284    H    GLY  41           H        GLY  41  -4.020  -7.772  -7.772
  285   1HA   GLY  41          2HA       GLY  41  -3.848  -8.675  -8.675
  286   2HA   GLY  41          1HA       GLY  41  -4.206 -10.271 -10.271
  287    H    SER  42           H        SER  42  -6.180  -7.370  -7.370
  288    HA   SER  42           HA       SER  42  -8.244  -8.506  -8.506
  289   1HB   SER  42          2HB       SER  42  -9.812  -8.701  -8.701
  290   2HB   SER  42          1HB       SER  42  -8.328  -9.122  -9.122
  291    HG   SER  42           HG       SER  42  -9.864  -7.388  -7.388
  292    H    ALA  43           H        ALA  43  -6.441  -5.895  -5.895
  293    HA   ALA  43           HA       ALA  43  -6.666  -3.669  -3.669
  294   1HB   ALA  43          1HB       ALA  43  -8.549  -5.237  -5.237
  295   2HB   ALA  43          3HB       ALA  43  -9.430  -3.811  -3.811
  296   3HB   ALA  43          2HB       ALA  43  -7.987  -3.632  -3.632
  297    H    SER  44           H        SER  44  -6.989  -3.948  -3.948
  298    HA   SER  44           HA       SER  44  -9.152  -2.005  -2.005
  299   1HB   SER  44          2HB       SER  44  -8.684  -4.745  -4.745
  300   2HB   SER  44          1HB       SER  44  -8.722  -3.595  -3.595
  301    HG   SER  44           HG       SER  44 -10.717  -2.823  -2.823
  302    H    CYS  45           H        CYS  45  -6.356  -1.538  -1.538
  303    HA   CYS  45           HA       CYS  45  -5.193  -1.080  -1.080
  304   1HB   CYS  45          2HB       CYS  45  -3.030  -0.817  -0.817
  305   2HB   CYS  45          1HB       CYS  45  -3.660  -2.390  -2.390
  306    H    ALA  46           H        ALA  46  -3.989   0.756   0.756
  307    HA   ALA  46           HA       ALA  46  -4.733   3.222   3.222
  308   1HB   ALA  46          2HB       ALA  46  -5.464   2.735   2.735
  309   2HB   ALA  46          1HB       ALA  46  -3.786   3.107   3.107
  310   3HB   ALA  46          3HB       ALA  46  -4.800   4.326   4.326
  311    H    THR  47           H        THR  47  -2.225   1.082   1.082
  312    HA   THR  47           HA       THR  47  -0.118   3.199   3.199
  313    HB   THR  47           HB       THR  47   1.316   1.178   1.178
  314    HG1  THR  47          1HG       THR  47  -0.709  -0.156  -0.156
  315   1HG2  THR  47          3HG2      THR  47  -0.938   2.127   2.127
  316   2HG2  THR  47          2HG2      THR  47   0.526   1.321   1.321
  317   3HG2  THR  47          1HG2      THR  47   0.631   2.908   2.908
  318    H    CYS  48           H        CYS  48  -1.289   0.234   0.234
  319    HA   CYS  48           HA       CYS  48   0.921   0.217   0.217
  320   1HB   CYS  48          2HB       CYS  48  -1.746  -1.033  -1.033
  321   2HB   CYS  48          1HB       CYS  48  -0.145  -1.610  -1.610
  322    H    HIS  49           H        HIS  49   0.418   2.746   2.746
  323    HA   HIS  49           HA       HIS  49  -1.677   3.216   3.216
  324   1HB   HIS  49          2HB       HIS  49  -1.210   4.779   4.779
  325   2HB   HIS  49          1HB       HIS  49   0.343   5.143   5.143
  326    HD1  HIS  49          1HD       HIS  49  -1.121   7.608   7.608
  327    HD2  HIS  49          2HD       HIS  49  -2.057   4.746   4.746
  328    HE1  HIS  49          1HE       HIS  49  -2.458   8.794   8.794
  329    H    VAL  50           H        VAL  50  -1.100   3.341   3.341
  330    HA   VAL  50           HA       VAL  50   1.776   3.719   3.719
  331    HB   VAL  50           HB       VAL  50   1.549   1.758   1.758
  332   1HG1  VAL  50          1HG1      VAL  50   1.286   1.409   1.409
  333   2HG1  VAL  50          3HG1      VAL  50   1.584   0.048   0.048
  334   3HG1  VAL  50          2HG1      VAL  50   2.750   1.369   1.369
  335   1HG2  VAL  50          1HG2      VAL  50  -0.952   1.854   1.854
  336   2HG2  VAL  50          3HG2      VAL  50  -0.314   0.241   0.241
  337   3HG2  VAL  50          2HG2      VAL  50  -0.945   1.221   1.221
  338    H    TYR  51           H        TYR  51   2.100   4.377   4.377
  339    HA   TYR  51           HA       TYR  51  -0.335   5.416   5.416
  340   1HB   TYR  51          2HB       TYR  51   2.432   6.458   6.458
  341   2HB   TYR  51          1HB       TYR  51   1.499   7.097   7.097
  342    HD1  TYR  51          2HD       TYR  51  -1.018   6.211   6.211
  343    HD2  TYR  51          1HD       TYR  51   2.206   9.072   9.072
  344    HE1  TYR  51          2HE       TYR  51  -2.279   7.753   7.753
  345    HE2  TYR  51          1HE       TYR  51   0.911  10.616  10.616
  346    HH   TYR  51           HH       TYR  51  -1.494   9.765   9.765
  347    H    VAL  52           H        VAL  52  -0.698   4.055   4.055
  348    HA   VAL  52           HA       VAL  52   1.499   2.597   2.597
  349    HB   VAL  52           HB       VAL  52  -1.463   2.682   2.682
  350   1HG1  VAL  52          3HG1      VAL  52   0.482   1.568   1.568
  351   2HG1  VAL  52          2HG1      VAL  52   0.291   0.279   0.279
  352   3HG1  VAL  52          1HG1      VAL  52  -1.093   0.779   0.779
  353   1HG2  VAL  52          3HG2      VAL  52  -0.061   1.669   1.669
  354   2HG2  VAL  52          2HG2      VAL  52  -1.796   1.716   1.716
  355   3HG2  VAL  52          1HG2      VAL  52  -0.832   0.355   0.355
  356    H    ASN  53           H        ASN  53   1.820   2.828   2.828
  357    HA   ASN  53           HA       ASN  53   1.635   5.635   5.635
  358   1HB   ASN  53          2HB       ASN  53   2.621   4.619   4.619
  359   2HB   ASN  53          1HB       ASN  53   3.567   4.384   4.384
  360   1HD2  ASN  53          2HD2      ASN  53   3.371   1.077   1.077
  361   2HD2  ASN  53          1HD2      ASN  53   4.023   2.587   2.587
  362    H    GLU  54           H        GLU  54   0.032   6.526   6.526
  363    HA   GLU  54           HA       GLU  54  -2.505   5.593   5.593
  364   1HB   GLU  54          2HB       GLU  54  -2.518   7.094   7.094
  365   2HB   GLU  54          1HB       GLU  54  -1.792   7.828   7.828
  366   1HG   GLU  54          2HG       GLU  54   0.456   7.195   7.195
  367   2HG   GLU  54          1HG       GLU  54  -0.284   6.511   6.511
  368    H    ALA  55           H        ALA  55   0.313   4.565   4.565
  369    HA   ALA  55           HA       ALA  55  -1.035   3.362   3.362
  370   1HB   ALA  55          1HB       ALA  55   1.595   2.965   2.965
  371   2HB   ALA  55          3HB       ALA  55   1.162   1.972   1.972
  372   3HB   ALA  55          2HB       ALA  55   1.299   3.722   3.722
  373    H    PHE  56           H        PHE  56  -0.651   2.314   2.314
  374    HA   PHE  56           HA       PHE  56  -1.889  -0.319  -0.319
  375   1HB   PHE  56          2HB       PHE  56   0.049   0.422   0.422
  376   2HB   PHE  56          1HB       PHE  56  -0.676  -1.169  -1.169
  377    HD1  PHE  56          1HD       PHE  56   1.257   1.421   1.421
  378    HD2  PHE  56          2HD       PHE  56   0.480  -2.810  -2.810
  379    HE1  PHE  56          1HE       PHE  56   2.958   0.954   0.954
  380    HE2  PHE  56          2HE       PHE  56   2.176  -3.233  -3.233
  381    HZ   PHE  56           HZ       PHE  56   3.421  -1.379  -1.379
  382    H    THR  57           H        THR  57  -2.185   2.572   2.572
  383    HA   THR  57           HA       THR  57  -3.919   1.414   1.414
  384    HB   THR  57           HB       THR  57  -3.888   3.542   3.542
  385    HG1  THR  57          1HG       THR  57  -3.950   4.503   4.503
  386   1HG2  THR  57          3HG2      THR  57  -1.495   2.910   2.910
  387   2HG2  THR  57          2HG2      THR  57  -1.825   4.558   4.558
  388   3HG2  THR  57          1HG2      THR  57  -1.730   4.197   4.197
  389    H    ASP  58           H        ASP  58  -4.260   2.800   2.800
  390    HA   ASP  58           HA       ASP  58  -7.158   3.219   3.219
  391   1HB   ASP  58          2HB       ASP  58  -6.875   3.989   3.989
  392   2HB   ASP  58          1HB       ASP  58  -5.410   4.480   4.480
  393    H    LYS  59           H        LYS  59  -4.952   0.682   0.682
  394    HA   LYS  59           HA       LYS  59  -6.931  -0.880  -0.880
  395   1HB   LYS  59          2HB       LYS  59  -4.188  -1.469  -1.469
  396   2HB   LYS  59          1HB       LYS  59  -5.059  -2.547  -2.547
  397   1HG   LYS  59          2HG       LYS  59  -4.115   0.268   0.268
  398   2HG   LYS  59          1HG       LYS  59  -3.500  -1.227  -1.227
  399   1HD   LYS  59          2HD       LYS  59  -6.007  -1.596  -1.596
  400   2HD   LYS  59          1HD       LYS  59  -6.125   0.150   0.150
  401   1HE   LYS  59          2HE       LYS  59  -4.961   0.568   0.568
  402   2HE   LYS  59          1HE       LYS  59  -3.738  -0.659  -0.659
  403   1HZ   LYS  59          1HZ       LYS  59  -6.496  -1.309  -1.309
  404   2HZ   LYS  59          3HZ       LYS  59  -5.173  -1.228  -1.228
  405   3HZ   LYS  59          2HZ       LYS  59  -5.193  -2.384  -2.384
  406    H    VAL  60           H        VAL  60  -5.245  -1.258  -1.258
  407    HA   VAL  60           HA       VAL  60  -6.327  -3.527  -3.527
  408    HB   VAL  60           HB       VAL  60  -6.228  -2.160  -2.160
  409   1HG1  VAL  60          1HG1      VAL  60  -3.954  -2.156  -2.156
  410   2HG1  VAL  60          3HG1      VAL  60  -3.753  -1.680  -1.680
  411   3HG1  VAL  60          2HG1      VAL  60  -4.256  -3.322  -3.322
  412   1HG2  VAL  60          3HG2      VAL  60  -6.907  -0.024  -0.024
  413   2HG2  VAL  60          2HG2      VAL  60  -5.462   0.123   0.123
  414   3HG2  VAL  60          1HG2      VAL  60  -5.313   0.007   0.007
  415    HA   PRO  61           HA       PRO  61 -10.682  -3.082  -3.082
  416   1HB   PRO  61          2HB       PRO  61 -11.096  -4.137  -4.137
  417   2HB   PRO  61          1HB       PRO  61 -10.730  -5.120  -5.120
  418   1HG   PRO  61          2HG       PRO  61  -8.908  -4.193  -4.193
  419   2HG   PRO  61          1HG       PRO  61  -8.993  -5.775  -5.775
  420   1HD   PRO  61          2HD       PRO  61  -7.104  -3.957  -3.957
  421   2HD   PRO  61          1HD       PRO  61  -7.801  -5.064  -5.064
  422    H    ALA  62           H        ALA  62 -12.340  -2.103  -2.103
  423    HA   ALA  62           HA       ALA  62 -11.532   0.495   0.495
  424   1HB   ALA  62          1HB       ALA  62 -13.662  -0.716  -0.716
  425   2HB   ALA  62          3HB       ALA  62 -14.314  -0.345  -0.345
  426   3HB   ALA  62          2HB       ALA  62 -13.635   0.945   0.945
  427    H    ALA  63           H        ALA  63 -11.047   0.833   0.833
  428    HA   ALA  63           HA       ALA  63 -11.414  -1.146  -1.146
  429   1HB   ALA  63          3HB       ALA  63 -10.774   1.824   1.824
  430   2HB   ALA  63          2HB       ALA  63 -10.591   0.743   0.743
  431   3HB   ALA  63          1HB       ALA  63  -9.602   0.507   0.507
  432    H    ASN  64           H        ASN  64 -12.714  -0.641  -0.641
  433    HA   ASN  64           HA       ASN  64 -15.385   0.422   0.422
  434   1HB   ASN  64          2HB       ASN  64 -15.436  -0.744  -0.744
  435   2HB   ASN  64          1HB       ASN  64 -16.145  -1.372  -1.372
  436   1HD2  ASN  64          2HD2      ASN  64 -13.294  -3.607  -3.607
  437   2HD2  ASN  64          1HD2      ASN  64 -14.397  -2.659  -2.659
  438    H    GLU  65           H        GLU  65 -16.330   0.873   0.873
  439    HA   GLU  65           HA       GLU  65 -15.390   3.602   3.602
  440   1HB   GLU  65          2HB       GLU  65 -17.305   3.713   3.713
  441   2HB   GLU  65          1HB       GLU  65 -17.741   2.494   2.494
  442   1HG   GLU  65          2HG       GLU  65 -18.275   1.250   1.250
  443   2HG   GLU  65          1HG       GLU  65 -16.541   0.926   0.926
  444    H    ARG  66           H        ARG  66 -14.681   0.476   0.476
  445    HA   ARG  66           HA       ARG  66 -13.777   1.475   1.475
  446   1HB   ARG  66          2HB       ARG  66 -12.120  -0.721  -0.721
  447   2HB   ARG  66          1HB       ARG  66 -13.519  -0.755  -0.755
  448   1HG   ARG  66          2HG       ARG  66 -14.926  -1.085  -1.085
  449   2HG   ARG  66          1HG       ARG  66 -13.402  -1.262  -1.262
  450   1HD   ARG  66          2HD       ARG  66 -12.998  -3.343  -3.343
  451   2HD   ARG  66          1HD       ARG  66 -13.677  -2.917  -2.917
  452    HE   ARG  66           HE       ARG  66 -15.839  -2.855  -2.855
  453   1HH1  ARG  66          1HH2      ARG  66 -13.737  -5.186  -5.186
  454   2HH1  ARG  66          2HH2      ARG  66 -14.644  -6.531  -6.531
  455   1HH2  ARG  66          1HH1      ARG  66 -16.920  -4.562  -4.562
  456   2HH2  ARG  66          2HH1      ARG  66 -16.445  -6.178  -6.178
  457    H    GLU  67           H        GLU  67 -12.097   0.722   0.722
  458    HA   GLU  67           HA       GLU  67  -9.477   1.513   1.513
  459   1HB   GLU  67          2HB       GLU  67 -10.042   0.247   0.247
  460   2HB   GLU  67          1HB       GLU  67 -11.076   1.547   1.547
  461   1HG   GLU  67          2HG       GLU  67  -8.389   2.492   2.492
  462   2HG   GLU  67          1HG       GLU  67  -8.380   1.194   1.194
  463    H    ILE  68           H        ILE  68 -12.237   3.496   3.496
  464    HA   ILE  68           HA       ILE  68 -10.763   5.868   5.868
  465    HB   ILE  68           HB       ILE  68 -13.570   5.018   5.018
  466   1HG1  ILE  68          2HG1      ILE  68 -13.955   5.793   5.793
  467   2HG1  ILE  68          1HG1      ILE  68 -12.444   6.702   6.702
  468   1HG2  ILE  68          2HG2      ILE  68 -13.214   7.192   7.192
  469   2HG2  ILE  68          1HG2      ILE  68 -12.838   7.936   7.936
  470   3HG2  ILE  68          3HG2      ILE  68 -14.439   7.249   7.249
  471   1HD1  ILE  68          3HD1      ILE  68 -12.439   3.717   3.717
  472   2HD1  ILE  68          2HD1      ILE  68 -12.490   4.398   4.398
  473   3HD1  ILE  68          1HD1      ILE  68 -11.126   4.750   4.750
  474    H    GLY  69           H        GLY  69 -11.972   4.505   4.505
  475   1HA   GLY  69          2HA       GLY  69 -11.280   6.982   6.982
  476   2HA   GLY  69          1HA       GLY  69 -12.017   5.547   5.547
  477    H    MET  70           H        MET  70 -10.436   3.526   3.526
  478    HA   MET  70           HA       MET  70  -8.215   3.777   3.777
  479   1HB   MET  70          2HB       MET  70  -7.385   1.755   1.755
  480   2HB   MET  70          1HB       MET  70  -8.983   1.592   1.592
  481   1HG   MET  70          2HG       MET  70  -9.615   2.747   2.747
  482   2HG   MET  70          1HG       MET  70  -8.155   1.902   1.902
  483   1HE   MET  70          1HE       MET  70  -8.032   0.259   0.259
  484   2HE   MET  70          3HE       MET  70  -8.029  -1.094  -1.094
  485   3HE   MET  70          2HE       MET  70  -9.150  -1.104  -1.104
  486    H    LEU  71           H        LEU  71  -8.370   4.048   4.048
  487    HA   LEU  71           HA       LEU  71  -5.568   4.523   4.523
  488   1HB   LEU  71          2HB       LEU  71  -7.467   3.651   3.651
  489   2HB   LEU  71          1HB       LEU  71  -8.007   5.330   5.330
  490    HG   LEU  71           HG       LEU  71  -5.858   3.997   3.997
  491   1HD1  LEU  71          3HD1      LEU  71  -7.929   5.923   5.923
  492   2HD1  LEU  71          2HD1      LEU  71  -6.394   6.692   6.692
  493   3HD1  LEU  71          1HD1      LEU  71  -6.895   5.193   5.193
  494   1HD2  LEU  71          1HD2      LEU  71  -4.554   5.345   5.345
  495   2HD2  LEU  71          3HD2      LEU  71  -4.222   5.713   5.713
  496   3HD2  LEU  71          2HD2      LEU  71  -5.258   6.777   6.777
  497    H    GLU  72           H        GLU  72  -8.295   6.459   6.459
  498    HA   GLU  72           HA       GLU  72  -6.954   9.031   9.031
  499   1HB   GLU  72          2HB       GLU  72  -9.270   9.074   9.074
  500   2HB   GLU  72          1HB       GLU  72  -9.630   8.095   8.095
  501   1HG   GLU  72          2HG       GLU  72  -9.721   9.903   9.903
  502   2HG   GLU  72          1HG       GLU  72  -8.273  10.623  10.623
  503    H    CYS  73           H        CYS  73  -7.285   6.763   6.763
  504    HA   CYS  73           HA       CYS  73  -7.131   8.372   8.372
  505   1HB   CYS  73          2HB       CYS  73  -5.986   5.740   5.740
  506   2HB   CYS  73          1HB       CYS  73  -5.426   6.411   6.411
  507    HG   CYS  73           HG       CYS  73  -8.498   6.177   6.177
  508    H    VAL  74           H        VAL  74  -4.779   7.697   7.697
  509    HA   VAL  74           HA       VAL  74  -2.625   9.223   9.223
  510    HB   VAL  74           HB       VAL  74  -1.343   8.448   8.448
  511   1HG1  VAL  74          1HG1      VAL  74  -3.095   6.521   6.521
  512   2HG1  VAL  74          3HG1      VAL  74  -2.062   5.910   5.910
  513   3HG1  VAL  74          2HG1      VAL  74  -1.347   6.738   6.738
  514   1HG2  VAL  74          1HG2      VAL  74  -4.097   8.018   8.018
  515   2HG2  VAL  74          3HG2      VAL  74  -2.639   8.495   8.495
  516   3HG2  VAL  74          2HG2      VAL  74  -2.904   6.801   6.801
  517    H    THR  75           H        THR  75  -3.730  11.320  11.320
  518    HA   THR  75           HA       THR  75  -5.002  12.664  12.664
  519    HB   THR  75           HB       THR  75  -4.592  13.425  13.425
  520    HG1  THR  75          1HG       THR  75  -5.212  15.127  15.127
  521   1HG2  THR  75          2HG2      THR  75  -1.864  13.064  13.064
  522   2HG2  THR  75          1HG2      THR  75  -2.095  14.749  14.749
  523   3HG2  THR  75          3HG2      THR  75  -2.480  13.454  13.454
  524    H    ALA  76           H        ALA  76  -3.873  11.864  11.864
  525    HA   ALA  76           HA       ALA  76  -1.476  13.556  13.556
  526   1HB   ALA  76          2HB       ALA  76  -1.817  10.683  10.683
  527   2HB   ALA  76          1HB       ALA  76  -1.387  11.203  11.203
  528   3HB   ALA  76          3HB       ALA  76  -0.342  11.611  11.611
  529    H    GLU  77           H        GLU  77  -4.204  14.253  14.253
  530    HA   GLU  77           HA       GLU  77  -5.678  14.694  14.694
  531   1HB   GLU  77          2HB       GLU  77  -4.418  15.896  15.896
  532   2HB   GLU  77          1HB       GLU  77  -3.861  16.353  16.353
  533   1HG   GLU  77          2HG       GLU  77  -1.917  14.961  14.961
  534   2HG   GLU  77          1HG       GLU  77  -2.529  14.193  14.193
  535    H    LEU  78           H        LEU  78  -5.739  12.130  12.130
  536    HA   LEU  78           HA       LEU  78  -4.864  10.151  10.151
  537   1HB   LEU  78          2HB       LEU  78  -7.332  10.961  10.961
  538   2HB   LEU  78          1HB       LEU  78  -7.624  10.690  10.690
  539    HG   LEU  78           HG       LEU  78  -6.269   8.484   8.484
  540   1HD1  LEU  78          3HD1      LEU  78  -6.877   9.453   9.453
  541   2HD1  LEU  78          2HD1      LEU  78  -6.997   7.723   7.723
  542   3HD1  LEU  78          1HD1      LEU  78  -5.473   8.568   8.568
  543   1HD2  LEU  78          2HD2      LEU  78  -9.085   9.196   9.196
  544   2HD2  LEU  78          1HD2      LEU  78  -8.396   7.913   7.913
  545   3HD2  LEU  78          3HD2      LEU  78  -8.609   7.668   7.668
  546    H    LYS  79           H        LYS  79  -4.005   9.851   9.851
  547    HA   LYS  79           HA       LYS  79  -4.406  11.854  11.854
  548   1HB   LYS  79          2HB       LYS  79  -3.103   9.150   9.150
  549   2HB   LYS  79          1HB       LYS  79  -2.649  10.683  10.683
  550   1HG   LYS  79          2HG       LYS  79  -2.463  10.954  10.954
  551   2HG   LYS  79          1HG       LYS  79  -1.588   9.511   9.511
  552   1HD   LYS  79          2HD       LYS  79   0.098  10.843  10.843
  553   2HD   LYS  79          1HD       LYS  79  -0.943  11.438  11.438
  554   1HE   LYS  79          2HE       LYS  79  -1.942  12.998  12.998
  555   2HE   LYS  79          1HE       LYS  79  -0.440  12.641  12.641
  556   1HZ   LYS  79          3HZ       LYS  79  -0.556  13.547  13.547
  557   2HZ   LYS  79          2HZ       LYS  79  -0.234  14.573  14.573
  558   3HZ   LYS  79          1HZ       LYS  79   0.842  13.315  13.315
  559    HA   PRO  80           HA       PRO  80  -7.631   9.840   9.840
  560   1HB   PRO  80          2HB       PRO  80  -6.673   9.600   9.600
  561   2HB   PRO  80          1HB       PRO  80  -7.239  11.139  11.139
  562   1HG   PRO  80          2HG       PRO  80  -4.457  10.097  10.097
  563   2HG   PRO  80          1HG       PRO  80  -5.083  11.729  11.729
  564   1HD   PRO  80          2HD       PRO  80  -3.743  11.109  11.109
  565   2HD   PRO  80          1HD       PRO  80  -5.084  12.275  12.275
  566    H    ASN  81           H        ASN  81  -4.426   8.499   8.499
  567    HA   ASN  81           HA       ASN  81  -5.534   5.800   5.800
  568   1HB   ASN  81          2HB       ASN  81  -3.098   5.347   5.347
  569   2HB   ASN  81          1HB       ASN  81  -3.823   6.582   6.582
  570   1HD2  ASN  81          2HD2      ASN  81  -0.570   7.902   7.902
  571   2HD2  ASN  81          1HD2      ASN  81  -1.031   6.574   6.574
  572    H    SER  82           H        SER  82  -4.395   7.636   7.636
  573    HA   SER  82           HA       SER  82  -2.809   5.888   5.888
  574   1HB   SER  82          2HB       SER  82  -5.178   7.542   7.542
  575   2HB   SER  82          1HB       SER  82  -3.843   6.997   6.997
  576    HG   SER  82           HG       SER  82  -2.649   8.114   8.114
  577    H    ARG  83           H        ARG  83  -3.350   4.355   4.355
  578    HA   ARG  83           HA       ARG  83  -5.979   3.245   3.245
  579   1HB   ARG  83          2HB       ARG  83  -4.590   2.491   2.491
  580   2HB   ARG  83          1HB       ARG  83  -4.583   1.101   1.101
  581   1HG   ARG  83          2HG       ARG  83  -6.752   0.703   0.703
  582   2HG   ARG  83          1HG       ARG  83  -7.174   2.354   2.354
  583   1HD   ARG  83          2HD       ARG  83  -7.855   2.384   2.384
  584   2HD   ARG  83          1HD       ARG  83  -6.162   2.865   2.865
  585    HE   ARG  83           HE       ARG  83  -6.094   0.081   0.081
  586   1HH1  ARG  83          1HH2      ARG  83  -6.372   2.553   2.553
  587   2HH1  ARG  83          2HH2      ARG  83  -7.065   1.600   1.600
  588   1HH2  ARG  83          1HH1      ARG  83  -7.570  -1.182  -1.182
  589   2HH2  ARG  83          2HH1      ARG  83  -7.746  -0.515  -0.515
  590    H    LEU  84           H        LEU  84  -5.876   1.463   1.463
  591    HA   LEU  84           HA       LEU  84  -3.559   1.515   1.515
  592   1HB   LEU  84          2HB       LEU  84  -6.291   0.645   0.645
  593   2HB   LEU  84          1HB       LEU  84  -5.287  -0.736  -0.736
  594    HG   LEU  84           HG       LEU  84  -5.402   1.962   1.962
  595   1HD1  LEU  84          3HD1      LEU  84  -6.363  -0.777  -0.777
  596   2HD1  LEU  84          2HD1      LEU  84  -5.524  -0.060  -0.060
  597   3HD1  LEU  84          1HD1      LEU  84  -6.936   0.746   0.746
  598   1HD2  LEU  84          2HD2      LEU  84  -3.282  -0.132  -0.132
  599   2HD2  LEU  84          1HD2      LEU  84  -3.134   1.603   1.603
  600   3HD2  LEU  84          3HD2      LEU  84  -3.682   0.528   0.528
  601    H    SER  85           H        SER  85  -1.832   0.083   0.083
  602    HA   SER  85           HA       SER  85  -1.060  -1.312  -1.312
  603   1HB   SER  85          2HB       SER  85  -0.440  -2.505  -2.505
  604   2HB   SER  85          1HB       SER  85   0.614  -2.166  -2.166
  605    HG   SER  85           HG       SER  85  -0.014   0.138   0.138
  606    H    CYS  86           H        CYS  86  -3.465  -2.386  -2.386
  607    HA   CYS  86           HA       CYS  86  -3.447  -5.103  -5.103
  608   1HB   CYS  86          2HB       CYS  86  -4.888  -4.194  -4.194
  609   2HB   CYS  86          1HB       CYS  86  -4.458  -5.835  -5.835
  610    H    GLN  87           H        GLN  87  -4.540  -3.051  -3.051
  611    HA   GLN  87           HA       GLN  87  -7.441  -3.702  -3.702
  612   1HB   GLN  87          2HB       GLN  87  -6.099  -1.196  -1.196
  613   2HB   GLN  87          1HB       GLN  87  -7.820  -1.444  -1.444
  614   1HG   GLN  87          2HG       GLN  87  -6.087  -1.896  -1.896
  615   2HG   GLN  87          1HG       GLN  87  -6.163  -0.240  -0.240
  616   1HE2  GLN  87          2HE2      GLN  87  -9.786  -1.935  -1.935
  617   2HE2  GLN  87          1HE2      GLN  87  -8.614  -2.795  -2.795
  618    H    ILE  88           H        ILE  88  -4.661  -2.797  -2.797
  619    HA   ILE  88           HA       ILE  88  -6.044  -3.619  -3.619
  620    HB   ILE  88           HB       ILE  88  -3.236  -3.096  -3.096
  621   1HG1  ILE  88          2HG1      ILE  88  -4.748  -0.995  -0.995
  622   2HG1  ILE  88          1HG1      ILE  88  -3.275  -1.829  -1.829
  623   1HG2  ILE  88          2HG2      ILE  88  -5.743  -1.556  -1.556
  624   2HG2  ILE  88          1HG2      ILE  88  -4.149  -1.274  -1.274
  625   3HG2  ILE  88          3HG2      ILE  88  -4.975  -2.808  -2.808
  626   1HD1  ILE  88          1HD1      ILE  88  -2.129  -0.870  -0.870
  627   2HD1  ILE  88          3HD1      ILE  88  -3.577   0.095   0.095
  628   3HD1  ILE  88          2HD1      ILE  88  -2.633   0.345   0.345
  629    H    ILE  89           H        ILE  89  -5.594  -5.446  -5.446
  630    HA   ILE  89           HA       ILE  89  -3.721  -7.406  -7.406
  631    HB   ILE  89           HB       ILE  89  -6.291  -7.602  -7.602
  632   1HG1  ILE  89          2HG1      ILE  89  -6.661  -7.387  -7.387
  633   2HG1  ILE  89          1HG1      ILE  89  -6.840  -9.106  -9.106
  634   1HG2  ILE  89          2HG2      ILE  89  -4.324  -9.815  -9.815
  635   2HG2  ILE  89          1HG2      ILE  89  -5.958 -10.069 -10.069
  636   3HG2  ILE  89          3HG2      ILE  89  -4.763  -9.238  -9.238
  637   1HD1  ILE  89          2HD1      ILE  89  -4.348  -9.323  -9.323
  638   2HD1  ILE  89          1HD1      ILE  89  -4.485  -7.699  -7.699
  639   3HD1  ILE  89          3HD1      ILE  89  -5.454  -9.014  -9.014
  640    H    MET  90           H        MET  90  -2.829  -8.970  -8.970
  641    HA   MET  90           HA       MET  90  -1.918  -7.282  -7.282
  642   1HB   MET  90          2HB       MET  90  -0.579  -8.620  -8.620
  643   2HB   MET  90          1HB       MET  90  -0.482  -9.761  -9.761
  644   1HG   MET  90          2HG       MET  90   1.426  -8.186  -8.186
  645   2HG   MET  90          1HG       MET  90   0.410  -7.991  -7.991
  646   1HE   MET  90          1HE       MET  90   0.673  -6.245  -6.245
  647   2HE   MET  90          3HE       MET  90  -0.694  -5.173  -5.173
  648   3HE   MET  90          2HE       MET  90   0.953  -4.628  -4.628
  649    H    THR  91           H        THR  91  -2.947  -7.799  -7.799
  650    HA   THR  91           HA       THR  91  -3.974 -10.561 -10.561
  651    HB   THR  91           HB       THR  91  -4.758  -9.102  -9.102
  652    HG1  THR  91          1HG       THR  91  -4.868  -7.186  -7.186
  653   1HG2  THR  91          2HG2      THR  91  -5.975  -9.007  -9.007
  654   2HG2  THR  91          1HG2      THR  91  -6.825  -8.623  -8.623
  655   3HG2  THR  91          3HG2      THR  91  -6.246 -10.264 -10.264
  656    HA   PRO  92           HA       PRO  92  -0.881 -11.609 -11.609
  657   1HB   PRO  92          2HB       PRO  92  -2.294 -12.770 -12.770
  658   2HB   PRO  92          1HB       PRO  92  -2.056 -13.547 -13.547
  659   1HG   PRO  92          2HG       PRO  92  -4.429 -12.099 -12.099
  660   2HG   PRO  92          1HG       PRO  92  -4.348 -13.545 -13.545
  661   1HD   PRO  92          2HD       PRO  92  -4.908 -11.045 -11.045
  662   2HD   PRO  92          1HD       PRO  92  -4.170 -12.334 -12.334
  663    H    GLU  93           H        GLU  93  -3.183  -9.244  -9.244
  664    HA   GLU  93           HA       GLU  93  -1.874  -8.600  -8.600
  665   1HB   GLU  93          2HB       GLU  93  -3.955  -7.321  -7.321
  666   2HB   GLU  93          1HB       GLU  93  -4.314  -8.998  -8.998
  667   1HG   GLU  93          2HG       GLU  93  -4.821  -8.386  -8.386
  668   2HG   GLU  93          1HG       GLU  93  -4.304  -6.724  -6.724
  669    H    LEU  94           H        LEU  94  -2.445  -7.436  -7.436
  670    HA   LEU  94           HA       LEU  94  -1.473  -4.714  -4.714
  671   1HB   LEU  94          2HB       LEU  94  -2.421  -5.925  -5.925
  672   2HB   LEU  94          1HB       LEU  94  -2.196  -4.210  -4.210
  673    HG   LEU  94           HG       LEU  94  -4.299  -6.084  -6.084
  674   1HD1  LEU  94          1HD1      LEU  94  -4.299  -3.261  -3.261
  675   2HD1  LEU  94          3HD1      LEU  94  -5.736  -4.106  -4.106
  676   3HD1  LEU  94          2HD1      LEU  94  -4.861  -4.716  -4.716
  677   1HD2  LEU  94          2HD2      LEU  94  -3.159  -5.028  -5.028
  678   2HD2  LEU  94          1HD2      LEU  94  -4.832  -4.488  -4.488
  679   3HD2  LEU  94          3HD2      LEU  94  -3.502  -3.443  -3.443
  680    H    ASP  95           H        ASP  95   0.550  -6.359  -6.359
  681    HA   ASP  95           HA       ASP  95   2.179  -6.524  -6.524
  682   1HB   ASP  95          2HB       ASP  95   3.642  -7.878  -7.878
  683   2HB   ASP  95          1HB       ASP  95   2.058  -8.559  -8.559
  684    H    GLY  96           H        GLY  96   4.192  -5.491  -5.491
  685   1HA   GLY  96          2HA       GLY  96   6.037  -4.162  -4.162
  686   2HA   GLY  96          1HA       GLY  96   4.907  -3.613  -3.613
  687    H    ILE  97           H        ILE  97   3.709  -3.874  -3.874
  688    HA   ILE  97           HA       ILE  97   2.778  -1.215  -1.215
  689    HB   ILE  97           HB       ILE  97   2.469  -3.609  -3.609
  690   1HG1  ILE  97          2HG1      ILE  97   1.358  -0.853  -0.853
  691   2HG1  ILE  97          1HG1      ILE  97   0.577  -2.352  -2.352
  692   1HG2  ILE  97          3HG2      ILE  97   4.350  -2.758  -2.758
  693   2HG2  ILE  97          2HG2      ILE  97   3.223  -1.509  -1.509
  694   3HG2  ILE  97          1HG2      ILE  97   2.845  -3.200  -3.200
  695   1HD1  ILE  97          1HD1      ILE  97   0.812  -3.069  -3.069
  696   2HD1  ILE  97          3HD1      ILE  97   1.132  -1.364  -1.364
  697   3HD1  ILE  97          2HD1      ILE  97  -0.411  -1.857  -1.857
  698    H    VAL  98           H        VAL  98   3.339   0.562   0.562
  699    HA   VAL  98           HA       VAL  98   6.102   0.554   0.554
  700    HB   VAL  98           HB       VAL  98   4.809   2.865   2.865
  701   1HG1  VAL  98          3HG1      VAL  98   7.392   2.324   2.324
  702   2HG1  VAL  98          2HG1      VAL  98   7.502   3.170   3.170
  703   3HG1  VAL  98          1HG1      VAL  98   6.540   3.851   3.851
  704   1HG2  VAL  98          1HG2      VAL  98   5.223   0.745   0.745
  705   2HG2  VAL  98          3HG2      VAL  98   5.972   2.238   2.238
  706   3HG2  VAL  98          2HG2      VAL  98   6.938   1.035   1.035
  707    H    VAL  99           H        VAL  99   5.092   0.284   0.284
  708    HA   VAL  99           HA       VAL  99   3.246   2.480   2.480
  709    HB   VAL  99           HB       VAL  99   2.105   0.594   0.594
  710   1HG1  VAL  99          3HG1      VAL  99   4.761  -0.730  -0.730
  711   2HG1  VAL  99          2HG1      VAL  99   3.180  -1.527  -1.527
  712   3HG1  VAL  99          1HG1      VAL  99   3.731  -0.918  -0.918
  713   1HG2  VAL  99          2HG2      VAL  99   2.908   1.716   1.716
  714   2HG2  VAL  99          1HG2      VAL  99   2.326   0.053   0.053
  715   3HG2  VAL  99          3HG2      VAL  99   4.062   0.373   0.373
  716    H    ASP 100           H        ASP 100   3.474   3.318   3.318
  717    HA   ASP 100           HA       ASP 100   6.245   3.368   3.368
  718   1HB   ASP 100          2HB       ASP 100   4.743   5.918   5.918
  719   2HB   ASP 100          1HB       ASP 100   6.478   5.681   5.681
  720    H    VAL 101           H        VAL 101   6.301   4.702   4.702
  721    HA   VAL 101           HA       VAL 101   3.741   4.382   4.382
  722    HB   VAL 101           HB       VAL 101   6.680   4.307   4.307
  723   1HG1  VAL 101          3HG1      VAL 101   5.160   5.612   5.612
  724   2HG1  VAL 101          2HG1      VAL 101   4.395   4.057   4.057
  725   3HG1  VAL 101          1HG1      VAL 101   6.110   4.283   4.283
  726   1HG2  VAL 101          3HG2      VAL 101   5.439   2.265   2.265
  727   2HG2  VAL 101          2HG2      VAL 101   6.216   2.047   2.047
  728   3HG2  VAL 101          1HG2      VAL 101   4.472   2.302   2.302
  729    HA   PRO 102           HA       PRO 102   3.730   8.812   8.812
  730   1HB   PRO 102          2HB       PRO 102   1.702   9.172   9.172
  731   2HB   PRO 102          1HB       PRO 102   1.441   8.737   8.737
  732   1HG   PRO 102          2HG       PRO 102   1.399   7.031   7.031
  733   2HG   PRO 102          1HG       PRO 102   0.394   6.939   6.939
  734   1HD   PRO 102          2HD       PRO 102   2.486   5.261   5.261
  735   2HD   PRO 102          1HD       PRO 102   1.931   5.683   5.683
  736    H    ASP 103           H        ASP 103   5.567   9.640   9.640
  737    HA   ASP 103           HA       ASP 103   5.643   9.370   9.370
  738   1HB   ASP 103          2HB       ASP 103   7.813   9.184   9.184
  739   2HB   ASP 103          1HB       ASP 103   7.486  10.178  10.178
  740    H    ARG 104           H        ARG 104   3.865  11.024  11.024
  741    HA   ARG 104           HA       ARG 104   3.833  13.670  13.670
  742   1HB   ARG 104          2HB       ARG 104   2.033  12.355  12.355
  743   2HB   ARG 104          1HB       ARG 104   1.798  11.597  11.597
  744   1HG   ARG 104          2HG       ARG 104   1.304  14.523  14.523
  745   2HG   ARG 104          1HG       ARG 104   0.066  13.273  13.273
  746   1HD   ARG 104          2HD       ARG 104   1.464  14.462  14.462
  747   2HD   ARG 104          1HD       ARG 104  -0.216  13.949  13.949
  748    HE   ARG 104           HE       ARG 104   2.003  11.935  11.935
  749   1HH1  ARG 104          1HH1      ARG 104  -0.182  10.335  10.335
  750   2HH1  ARG 104          2HH1      ARG 104  -0.962  10.267  10.267
  751   1HH2  ARG 104          1HH2      ARG 104   0.631  13.085  13.085
  752   2HH2  ARG 104          2HH2      ARG 104  -0.496  11.815  11.815
  753    H    GLN 105           H        GLN 105   3.665  15.381  15.381
  754    HA   GLN 105           HA       GLN 105   3.726  14.628  14.628
  755   1HB   GLN 105          2HB       GLN 105   5.294  16.489  16.489
  756   2HB   GLN 105          1HB       GLN 105   4.977  17.005  17.005
  757   1HG   GLN 105          2HG       GLN 105   6.000  14.228  14.228
  758   2HG   GLN 105          1HG       GLN 105   7.119  15.590  15.590
  759   1HE2  GLN 105          2HE2      GLN 105   7.032  15.795  15.795
  760   2HE2  GLN 105          1HE2      GLN 105   7.737  16.325  16.325
  761    H    TRP 106           H        TRP 106   1.463  14.964  14.964
  762    HA   TRP 106           HA       TRP 106   0.622  17.830  17.830
  763   1HB   TRP 106          2HB       TRP 106  -0.717  15.383  15.383
  764   2HB   TRP 106          1HB       TRP 106  -1.654  16.821  16.821
  765    HD1  TRP 106           HD       TRP 106  -0.434  15.436  15.436
  766    HE1  TRP 106          1HE       TRP 106   0.380  17.176  17.176
  767    HE3  TRP 106          3HE       TRP 106   0.086  19.508  19.508
  768    HZ2  TRP 106          2HZ       TRP 106   1.150  19.931  19.931
  769    HZ3  TRP 106          3HZ       TRP 106   0.861  21.675  21.675
  770    HH2  TRP 106           HH       TRP 106   1.393  21.892  21.892

  Start of MODEL   19
    1   1H    SER   1          3HT       SER   1   3.023 -11.445 -11.445
    2   2H    SER   1          2HT       SER   1   1.406 -10.970 -10.970
    3   3H    SER   1          1HT       SER   1   1.904 -11.653 -11.653
    4    HA   SER   1           HA       SER   1   2.707  -9.715  -9.715
    5   1HB   SER   1          2HB       SER   1   1.574  -7.921  -7.921
    6   2HB   SER   1          1HB       SER   1   0.791  -8.575  -8.575
    7    HG   SER   1           HG       SER   1  -0.156 -10.115 -10.115
    8    H    LYS   2           H        LYS   2   4.432  -8.273  -8.273
    9    HA   LYS   2           HA       LYS   2   6.240  -8.508  -8.508
   10   1HB   LYS   2          2HB       LYS   2   6.625  -8.134  -8.134
   11   2HB   LYS   2          1HB       LYS   2   6.418  -6.432  -6.432
   12   1HG   LYS   2          2HG       LYS   2   8.133  -7.146  -7.146
   13   2HG   LYS   2          1HG       LYS   2   8.619  -8.307  -8.307
   14   1HD   LYS   2          2HD       LYS   2   8.386  -5.316  -5.316
   15   2HD   LYS   2          1HD       LYS   2   9.900  -6.170  -6.170
   16   1HE   LYS   2          2HE       LYS   2   8.455  -7.513  -7.513
   17   2HE   LYS   2          1HE       LYS   2   8.642  -5.793  -5.793
   18   1HZ   LYS   2          1HZ       LYS   2  10.900  -7.242  -7.242
   19   2HZ   LYS   2          3HZ       LYS   2  10.588  -7.448  -7.448
   20   3HZ   LYS   2          2HZ       LYS   2  10.913  -5.898  -5.898
   21    H    VAL   3           H        VAL   3   6.363  -7.020  -7.020
   22    HA   VAL   3           HA       VAL   3   4.667  -4.580  -4.580
   23    HB   VAL   3           HB       VAL   3   5.006  -6.580  -6.580
   24   1HG1  VAL   3          3HG1      VAL   3   4.044  -3.711  -3.711
   25   2HG1  VAL   3          2HG1      VAL   3   3.686  -4.945  -4.945
   26   3HG1  VAL   3          1HG1      VAL   3   5.355  -4.468  -4.468
   27   1HG2  VAL   3          2HG2      VAL   3   3.191  -6.852  -6.852
   28   2HG2  VAL   3          1HG2      VAL   3   2.542  -6.494  -6.494
   29   3HG2  VAL   3          3HG2      VAL   3   2.620  -5.227  -5.227
   30    H    VAL   4           H        VAL   4   5.543  -2.661  -2.661
   31    HA   VAL   4           HA       VAL   4   8.312  -2.779  -2.779
   32    HB   VAL   4           HB       VAL   4   7.021  -1.031  -1.031
   33   1HG1  VAL   4          3HG1      VAL   4   9.209  -0.410  -0.410
   34   2HG1  VAL   4          2HG1      VAL   4   9.662  -0.223  -0.223
   35   3HG1  VAL   4          1HG1      VAL   4   8.286   0.670   0.670
   36   1HG2  VAL   4          2HG2      VAL   4   8.583  -3.365  -3.365
   37   2HG2  VAL   4          1HG2      VAL   4   8.116  -2.315  -2.315
   38   3HG2  VAL   4          3HG2      VAL   4   9.642  -2.044  -2.044
   39    H    TYR   5           H        TYR   5   8.405  -2.063  -2.063
   40    HA   TYR   5           HA       TYR   5   6.372  -0.170  -0.170
   41   1HB   TYR   5          2HB       TYR   5   8.592  -1.795  -1.795
   42   2HB   TYR   5          1HB       TYR   5   7.451  -0.840  -0.840
   43    HD1  TYR   5          2HD       TYR   5   5.293  -1.617  -1.617
   44    HD2  TYR   5          1HD       TYR   5   7.802  -3.743  -3.743
   45    HE1  TYR   5          2HE       TYR   5   3.623  -3.452  -3.452
   46    HE2  TYR   5          1HE       TYR   5   6.158  -5.579  -5.579
   47    HH   TYR   5           HH       TYR   5   4.109  -6.299  -6.299
   48    H    VAL   6           H        VAL   6   6.854   1.897   1.897
   49    HA   VAL   6           HA       VAL   6   9.773   2.680   2.680
   50    HB   VAL   6           HB       VAL   6   7.421   4.437   4.437
   51   1HG1  VAL   6          1HG1      VAL   6  10.234   4.872   4.872
   52   2HG1  VAL   6          3HG1      VAL   6   9.850   5.189   5.189
   53   3HG1  VAL   6          2HG1      VAL   6   8.991   6.052   6.052
   54   1HG2  VAL   6          1HG2      VAL   6   8.340   2.253   2.253
   55   2HG2  VAL   6          3HG2      VAL   6   7.418   3.604   3.604
   56   3HG2  VAL   6          2HG2      VAL   6   9.178   3.617   3.617
   57    H    SER   7           H        SER   7  10.389   4.312   4.312
   58    HA   SER   7           HA       SER   7   8.497   4.654   4.654
   59   1HB   SER   7          2HB       SER   7  10.355   4.394   4.394
   60   2HB   SER   7          1HB       SER   7  10.721   3.258   3.258
   61    HG   SER   7           HG       SER   7  11.908   5.025   5.025
   62    H    HIS   8           H        HIS   8   8.173   6.782   6.782
   63    HA   HIS   8           HA       HIS   8   8.518   8.953   8.953
   64   1HB   HIS   8          2HB       HIS   8   8.615  10.231  10.231
   65   2HB   HIS   8          1HB       HIS   8   7.179   9.322   9.322
   66    HD1  HIS   8          1HD       HIS   8   6.364   8.067   8.067
   67    HD2  HIS   8          2HD       HIS   8  10.518   8.145   8.145
   68    HE1  HIS   8          1HE       HIS   8   7.106   6.685   6.685
   69    H    ASP   9           H        ASP   9  10.987   7.419   7.419
   70    HA   ASP   9           HA       ASP   9  12.877   9.658   9.658
   71   1HB   ASP   9          2HB       ASP   9  14.267   8.287   8.287
   72   2HB   ASP   9          1HB       ASP   9  12.623   7.988   7.988
   73    H    GLY  10           H        GLY  10  11.824   7.205   7.205
   74   1HA   GLY  10          2HA       GLY  10  12.725   7.182   7.182
   75   2HA   GLY  10          1HA       GLY  10  14.330   7.401   7.401
   76    H    THR  11           H        THR  11  14.325   5.441   5.441
   77    HA   THR  11           HA       THR  11  15.101   3.130   3.130
   78    HB   THR  11           HB       THR  11  15.023   4.025   4.025
   79    HG1  THR  11          1HG       THR  11  16.565   2.642   2.642
   80   1HG2  THR  11          1HG2      THR  11  12.629   3.166   3.166
   81   2HG2  THR  11          3HG2      THR  11  13.300   1.543   1.543
   82   3HG2  THR  11          2HG2      THR  11  13.740   2.568   2.568
   83    H    ARG  12           H        ARG  12  14.030   1.710   1.710
   84    HA   ARG  12           HA       ARG  12  11.054   1.478   1.478
   85   1HB   ARG  12          2HB       ARG  12  12.933   0.784   0.784
   86   2HB   ARG  12          1HB       ARG  12  11.170   0.740   0.740
   87   1HG   ARG  12          2HG       ARG  12  11.273   3.221   3.221
   88   2HG   ARG  12          1HG       ARG  12  12.975   3.144   3.144
   89   1HD   ARG  12          2HD       ARG  12  10.660   2.422   2.422
   90   2HD   ARG  12          1HD       ARG  12  11.588   3.934   3.934
   91    HE   ARG  12           HE       ARG  12  12.864   1.245   1.245
   92   1HH1  ARG  12          1HH2      ARG  12  14.848   3.319   3.319
   93   2HH1  ARG  12          2HH2      ARG  12  15.101   3.927   3.927
   94   1HH2  ARG  12          1HH1      ARG  12  12.168   2.575   2.575
   95   2HH2  ARG  12          2HH1      ARG  12  13.584   3.506   3.506
   96    H    ARG  13           H        ARG  13  10.144  -0.705  -0.705
   97    HA   ARG  13           HA       ARG  13  12.082  -2.934  -2.934
   98   1HB   ARG  13          2HB       ARG  13  10.117  -3.721  -3.721
   99   2HB   ARG  13          1HB       ARG  13  11.422  -2.686  -2.686
  100   1HG   ARG  13          2HG       ARG  13   9.648  -0.806  -0.806
  101   2HG   ARG  13          1HG       ARG  13   8.552  -2.078  -2.078
  102   1HD   ARG  13          2HD       ARG  13   8.957  -0.642  -0.642
  103   2HD   ARG  13          1HD       ARG  13   9.862  -2.144  -2.144
  104    HE   ARG  13           HE       ARG  13  11.311   0.006   0.006
  105   1HH1  ARG  13          1HH2      ARG  13  13.283  -1.556  -1.556
  106   2HH1  ARG  13          2HH2      ARG  13  13.577  -1.130  -1.130
  107   1HH2  ARG  13          1HH1      ARG  13  10.544   0.502   0.502
  108   2HH2  ARG  13          2HH1      ARG  13  12.028   0.035   0.035
  109    H    GLU  14           H        GLU  14  11.371  -2.947  -2.947
  110    HA   GLU  14           HA       GLU  14   8.720  -3.780  -3.780
  111   1HB   GLU  14          2HB       GLU  14  11.298  -4.378  -4.378
  112   2HB   GLU  14          1HB       GLU  14   9.718  -3.993  -3.993
  113   1HG   GLU  14          2HG       GLU  14  10.488  -1.876  -1.876
  114   2HG   GLU  14          1HG       GLU  14  10.279  -1.775  -1.775
  115    H    LEU  15           H        LEU  15   7.856  -5.807  -5.807
  116    HA   LEU  15           HA       LEU  15   9.605  -8.099  -8.099
  117   1HB   LEU  15          2HB       LEU  15   6.860  -7.119  -7.119
  118   2HB   LEU  15          1HB       LEU  15   7.159  -8.860  -8.860
  119    HG   LEU  15           HG       LEU  15   9.333  -8.009  -8.009
  120   1HD1  LEU  15          3HD1      LEU  15   7.643  -5.740  -5.740
  121   2HD1  LEU  15          2HD1      LEU  15   7.777  -6.254  -6.254
  122   3HD1  LEU  15          1HD1      LEU  15   9.231  -5.879  -5.879
  123   1HD2  LEU  15          1HD2      LEU  15   6.557  -8.455  -8.455
  124   2HD2  LEU  15          3HD2      LEU  15   7.903  -9.589  -9.589
  125   3HD2  LEU  15          2HD2      LEU  15   7.910  -8.187  -8.187
  126    H    ASP  16           H        ASP  16   8.584 -10.201 -10.201
  127    HA   ASP  16           HA       ASP  16   7.693 -10.096 -10.096
  128   1HB   ASP  16          2HB       ASP  16   9.498 -11.698 -11.698
  129   2HB   ASP  16          1HB       ASP  16   8.198 -12.743 -12.743
  130    H    VAL  17           H        VAL  17   5.496  -9.566  -9.566
  131    HA   VAL  17           HA       VAL  17   4.022 -11.326 -11.326
  132    HB   VAL  17           HB       VAL  17   3.374  -8.779  -8.779
  133   1HG1  VAL  17          1HG1      VAL  17   1.788 -10.504 -10.504
  134   2HG1  VAL  17          3HG1      VAL  17   1.501  -8.765  -8.765
  135   3HG1  VAL  17          2HG1      VAL  17   1.277  -9.754  -9.754
  136   1HG2  VAL  17          1HG2      VAL  17   4.197  -9.411  -9.411
  137   2HG2  VAL  17          3HG2      VAL  17   5.006  -8.344  -8.344
  138   3HG2  VAL  17          2HG2      VAL  17   3.454  -7.877  -7.877
  139    H    ALA  18           H        ALA  18   1.819 -12.038 -12.038
  140    HA   ALA  18           HA       ALA  18   1.710 -12.668 -12.668
  141   1HB   ALA  18          1HB       ALA  18   1.234 -14.502 -14.502
  142   2HB   ALA  18          3HB       ALA  18   0.947 -14.944 -14.944
  143   3HB   ALA  18          2HB       ALA  18   2.585 -14.581 -14.581
  144    H    ASP  19           H        ASP  19  -0.619 -14.187 -14.187
  145    HA   ASP  19           HA       ASP  19  -2.664 -12.129 -12.129
  146   1HB   ASP  19          2HB       ASP  19  -3.826 -13.611 -13.611
  147   2HB   ASP  19          1HB       ASP  19  -2.157 -14.080 -14.080
  148    H    GLY  20           H        GLY  20  -3.845 -11.804 -11.804
  149   1HA   GLY  20          2HA       GLY  20  -5.420 -12.681 -12.681
  150   2HA   GLY  20          1HA       GLY  20  -4.392 -14.107 -14.107
  151    H    VAL  21           H        VAL  21  -2.313 -11.568 -11.568
  152    HA   VAL  21           HA       VAL  21  -2.036 -11.423 -11.423
  153    HB   VAL  21           HB       VAL  21  -0.197 -11.277 -11.277
  154   1HG1  VAL  21          2HG1      VAL  21   0.238 -10.015 -10.015
  155   2HG1  VAL  21          1HG1      VAL  21   1.588 -10.515 -10.515
  156   3HG1  VAL  21          3HG1      VAL  21   0.457  -9.294  -9.294
  157   1HG2  VAL  21          3HG2      VAL  21  -0.687 -13.041 -13.041
  158   2HG2  VAL  21          2HG2      VAL  21   0.372 -13.299 -13.299
  159   3HG2  VAL  21          1HG2      VAL  21   0.985 -12.470 -12.470
  160    H    SER  22           H        SER  22  -1.102  -9.364  -9.364
  161    HA   SER  22           HA       SER  22  -2.243  -6.937  -6.937
  162   1HB   SER  22          2HB       SER  22  -2.003  -6.301  -6.301
  163   2HB   SER  22          1HB       SER  22  -3.457  -7.011  -7.011
  164    HG   SER  22           HG       SER  22  -2.872  -8.967  -8.967
  165    H    LEU  23           H        LEU  23  -0.883  -4.899  -4.899
  166    HA   LEU  23           HA       LEU  23   1.933  -5.502  -5.502
  167   1HB   LEU  23          2HB       LEU  23   0.438  -2.995  -2.995
  168   2HB   LEU  23          1HB       LEU  23   2.176  -3.028  -3.028
  169    HG   LEU  23           HG       LEU  23   2.049  -3.256  -3.256
  170   1HD1  LEU  23          3HD1      LEU  23  -0.705  -4.457  -4.457
  171   2HD1  LEU  23          2HD1      LEU  23   0.066  -4.170  -4.170
  172   3HD1  LEU  23          1HD1      LEU  23   0.773  -5.320  -5.320
  173   1HD2  LEU  23          2HD2      LEU  23  -0.390  -1.779  -1.779
  174   2HD2  LEU  23          1HD2      LEU  23   1.116  -1.130  -1.130
  175   3HD2  LEU  23          3HD2      LEU  23  -0.041  -1.917  -1.917
  176    H    MET  24           H        MET  24  -0.044  -5.894  -5.894
  177    HA   MET  24           HA       MET  24   1.940  -5.153  -5.153
  178   1HB   MET  24          2HB       MET  24  -0.369  -4.701  -4.701
  179   2HB   MET  24          1HB       MET  24  -0.819  -6.362  -6.362
  180   1HG   MET  24          2HG       MET  24   1.261  -6.395  -6.395
  181   2HG   MET  24          1HG       MET  24   0.011  -5.280  -5.280
  182   1HE   MET  24          1HE       MET  24  -0.387  -6.244  -6.244
  183   2HE   MET  24          3HE       MET  24  -2.104  -6.640  -6.640
  184   3HE   MET  24          2HE       MET  24  -0.963  -7.865  -7.865
  185    H    GLN  25           H        GLN  25  -0.039  -8.050  -8.050
  186    HA   GLN  25           HA       GLN  25   1.468  -9.793  -9.793
  187   1HB   GLN  25          2HB       GLN  25  -0.260 -11.063 -11.063
  188   2HB   GLN  25          1HB       GLN  25  -0.592  -9.842  -9.842
  189   1HG   GLN  25          2HG       GLN  25   1.372 -12.115 -12.115
  190   2HG   GLN  25          1HG       GLN  25  -0.249 -12.044 -12.044
  191   1HE2  GLN  25          2HE2      GLN  25   1.109  -8.819  -8.819
  192   2HE2  GLN  25          1HE2      GLN  25   0.117  -8.979  -8.979
  193    H    ALA  26           H        ALA  26   2.466  -8.555  -8.555
  194    HA   ALA  26           HA       ALA  26   4.615 -10.586 -10.586
  195   1HB   ALA  26          1HB       ALA  26   3.119  -8.831  -8.831
  196   2HB   ALA  26          3HB       ALA  26   4.805  -8.271  -8.271
  197   3HB   ALA  26          2HB       ALA  26   4.395  -9.947  -9.947
  198    H    ALA  27           H        ALA  27   4.102  -7.139  -7.139
  199    HA   ALA  27           HA       ALA  27   6.825  -6.388  -6.388
  200   1HB   ALA  27          1HB       ALA  27   4.824  -4.931  -4.931
  201   2HB   ALA  27          3HB       ALA  27   4.160  -5.314  -5.314
  202   3HB   ALA  27          2HB       ALA  27   5.656  -4.397  -4.397
  203    H    VAL  28           H        VAL  28   3.998  -7.282  -7.282
  204    HA   VAL  28           HA       VAL  28   4.778  -7.149  -7.149
  205    HB   VAL  28           HB       VAL  28   2.822  -8.333  -8.333
  206   1HG1  VAL  28          1HG1      VAL  28   3.989 -10.227 -10.227
  207   2HG1  VAL  28          3HG1      VAL  28   2.272 -10.293 -10.293
  208   3HG1  VAL  28          2HG1      VAL  28   3.474 -10.556 -10.556
  209   1HG2  VAL  28          3HG2      VAL  28   2.890  -7.819  -7.819
  210   2HG2  VAL  28          2HG2      VAL  28   2.241  -6.766  -6.766
  211   3HG2  VAL  28          1HG2      VAL  28   1.443  -8.295  -8.295
  212    H    SER  29           H        SER  29   5.103 -10.069 -10.069
  213    HA   SER  29           HA       SER  29   6.746 -11.579 -11.579
  214   1HB   SER  29          2HB       SER  29   7.471 -12.017 -12.017
  215   2HB   SER  29          1HB       SER  29   6.421 -13.011 -13.011
  216    HG   SER  29           HG       SER  29   5.315 -12.262 -12.262
  217    H    ASN  30           H        ASN  30   7.459  -9.182  -9.182
  218    HA   ASN  30           HA       ASN  30  10.335  -9.478  -9.478
  219   1HB   ASN  30          2HB       ASN  30   8.219  -7.954  -7.954
  220   2HB   ASN  30          1HB       ASN  30   9.619  -6.953  -6.953
  221   1HD2  ASN  30          2HD2      ASN  30   9.905 -10.036 -10.036
  222   2HD2  ASN  30          1HD2      ASN  30   8.618 -10.000 -10.000
  223    H    GLY  31           H        GLY  31   8.455  -8.699  -8.699
  224   1HA   GLY  31          2HA       GLY  31   8.884  -7.583  -7.583
  225   2HA   GLY  31          1HA       GLY  31  10.497  -7.220  -7.220
  226    H    ILE  32           H        ILE  32   8.263  -6.198  -6.198
  227    HA   ILE  32           HA       ILE  32   8.798  -3.400  -3.400
  228    HB   ILE  32           HB       ILE  32   6.544  -4.753  -4.753
  229   1HG1  ILE  32          2HG1      ILE  32   9.482  -4.471  -4.471
  230   2HG1  ILE  32          1HG1      ILE  32   8.463  -5.901  -5.901
  231   1HG2  ILE  32          3HG2      ILE  32   8.047  -2.155  -2.155
  232   2HG2  ILE  32          2HG2      ILE  32   6.823  -2.822  -2.822
  233   3HG2  ILE  32          1HG2      ILE  32   6.374  -2.306  -2.306
  234   1HD1  ILE  32          3HD1      ILE  32   7.170  -4.383  -4.383
  235   2HD1  ILE  32          2HD1      ILE  32   8.763  -3.646  -3.646
  236   3HD1  ILE  32          1HD1      ILE  32   8.559  -5.368  -5.368
  237    H    TYR  33           H        TYR  33   5.996  -5.474  -5.474
  238    HA   TYR  33           HA       TYR  33   4.822  -3.182  -3.182
  239   1HB   TYR  33          2HB       TYR  33   3.681  -5.666  -5.666
  240   2HB   TYR  33          1HB       TYR  33   2.719  -4.562  -4.562
  241    HD1  TYR  33          2HD       TYR  33   3.782  -1.958  -1.958
  242    HD2  TYR  33          1HD       TYR  33   3.122  -5.279  -5.279
  243    HE1  TYR  33          2HE       TYR  33   3.620  -0.398  -0.398
  244    HE2  TYR  33          1HE       TYR  33   2.980  -3.739  -3.739
  245    HH   TYR  33           HH       TYR  33   4.053  -0.668  -0.668
  246    H    ASP  34           H        ASP  34   6.657  -4.108  -4.108
  247    HA   ASP  34           HA       ASP  34   5.586  -6.300  -6.300
  248   1HB   ASP  34          2HB       ASP  34   7.615  -5.668  -5.668
  249   2HB   ASP  34          1HB       ASP  34   8.008  -6.051  -6.051
  250    H    ILE  35           H        ILE  35   3.794  -4.157  -4.157
  251    HA   ILE  35           HA       ILE  35   3.913  -2.183  -2.183
  252    HB   ILE  35           HB       ILE  35   1.813  -1.489  -1.489
  253   1HG1  ILE  35          2HG1      ILE  35   1.889  -4.082  -4.082
  254   2HG1  ILE  35          1HG1      ILE  35   0.930  -3.874  -3.874
  255   1HG2  ILE  35          1HG2      ILE  35   3.985  -2.460  -2.460
  256   2HG2  ILE  35          3HG2      ILE  35   2.539  -1.696  -1.696
  257   3HG2  ILE  35          2HG2      ILE  35   3.578  -0.806  -0.806
  258   1HD1  ILE  35          2HD1      ILE  35   0.686  -1.925  -1.925
  259   2HD1  ILE  35          1HD1      ILE  35  -0.221  -3.437  -3.437
  260   3HD1  ILE  35          3HD1      ILE  35  -0.468  -2.264  -2.264
  261    H    VAL  36           H        VAL  36   0.966  -2.406  -2.406
  262    HA   VAL  36           HA       VAL  36   1.090  -4.343  -4.343
  263    HB   VAL  36           HB       VAL  36  -0.859  -3.125  -3.125
  264   1HG1  VAL  36          1HG1      VAL  36   1.230  -1.357  -1.357
  265   2HG1  VAL  36          3HG1      VAL  36   0.005  -0.746  -0.746
  266   3HG1  VAL  36          2HG1      VAL  36   1.194  -1.925  -1.925
  267   1HG2  VAL  36          1HG2      VAL  36  -1.926  -3.056  -3.056
  268   2HG2  VAL  36          3HG2      VAL  36  -2.057  -1.553  -1.553
  269   3HG2  VAL  36          2HG2      VAL  36  -0.864  -1.700  -1.700
  270    H    GLY  37           H        GLY  37  -1.769  -4.780  -4.780
  271   1HA   GLY  37          2HA       GLY  37  -2.117  -6.580  -6.580
  272   2HA   GLY  37          1HA       GLY  37  -2.619  -7.038  -7.038
  273    H    ASP  38           H        ASP  38  -3.319  -4.854  -4.854
  274    HA   ASP  38           HA       ASP  38  -6.047  -4.401  -4.401
  275   1HB   ASP  38          2HB       ASP  38  -4.417  -2.663  -2.663
  276   2HB   ASP  38          1HB       ASP  38  -5.961  -2.235  -2.235
  277    H    CYS  39           H        CYS  39  -4.148  -5.026  -5.026
  278    HA   CYS  39           HA       CYS  39  -6.607  -5.644  -5.644
  279   1HB   CYS  39          2HB       CYS  39  -5.040  -5.235  -5.235
  280   2HB   CYS  39          1HB       CYS  39  -5.197  -3.873  -3.873
  281    H    GLY  40           H        GLY  40  -3.425  -6.885  -6.885
  282   1HA   GLY  40          2HA       GLY  40  -2.473  -9.027  -9.027
  283   2HA   GLY  40          1HA       GLY  40  -4.061  -9.556  -9.556
  284    H    GLY  41           H        GLY  41  -3.455  -7.816  -7.816
  285   1HA   GLY  41          2HA       GLY  41  -3.534  -8.580  -8.580
  286   2HA   GLY  41          1HA       GLY  41  -3.628 -10.236 -10.236
  287    H    SER  42           H        SER  42  -5.789  -7.751  -7.751
  288    HA   SER  42           HA       SER  42  -7.999  -8.981  -8.981
  289   1HB   SER  42          2HB       SER  42  -8.166  -8.051  -8.051
  290   2HB   SER  42          1HB       SER  42  -9.341  -9.027  -9.027
  291    HG   SER  42           HG       SER  42  -7.449  -9.930  -9.930
  292    H    ALA  43           H        ALA  43  -6.328  -6.194  -6.194
  293    HA   ALA  43           HA       ALA  43  -6.728  -3.983  -3.983
  294   1HB   ALA  43          2HB       ALA  43  -8.280  -5.564  -5.564
  295   2HB   ALA  43          1HB       ALA  43  -9.500  -4.547  -4.547
  296   3HB   ALA  43          3HB       ALA  43  -8.194  -3.813  -3.813
  297    H    SER  44           H        SER  44  -7.060  -4.432  -4.432
  298    HA   SER  44           HA       SER  44  -9.309  -2.622  -2.622
  299   1HB   SER  44          2HB       SER  44  -8.939  -4.195  -4.195
  300   2HB   SER  44          1HB       SER  44 -10.220  -4.416  -4.416
  301    HG   SER  44           HG       SER  44  -9.227  -6.112  -6.112
  302    H    CYS  45           H        CYS  45  -6.608  -2.020  -2.020
  303    HA   CYS  45           HA       CYS  45  -5.338  -1.509  -1.509
  304   1HB   CYS  45          2HB       CYS  45  -3.273  -1.153  -1.153
  305   2HB   CYS  45          1HB       CYS  45  -3.880  -2.776  -2.776
  306    H    ALA  46           H        ALA  46  -4.382   0.438   0.438
  307    HA   ALA  46           HA       ALA  46  -5.343   2.789   2.789
  308   1HB   ALA  46          2HB       ALA  46  -4.842   2.198   2.198
  309   2HB   ALA  46          1HB       ALA  46  -4.841   3.867   3.867
  310   3HB   ALA  46          3HB       ALA  46  -6.285   2.872   2.872
  311    H    THR  47           H        THR  47  -2.592   0.953   0.953
  312    HA   THR  47           HA       THR  47  -0.771   3.320   3.320
  313    HB   THR  47           HB       THR  47  -0.728   1.660   1.660
  314    HG1  THR  47          1HG       THR  47   1.544   2.113   2.113
  315   1HG2  THR  47          2HG2      THR  47  -0.887  -0.243  -0.243
  316   2HG2  THR  47          1HG2      THR  47   0.869  -0.145  -0.145
  317   3HG2  THR  47          3HG2      THR  47  -0.101  -0.526  -0.526
  318    H    CYS  48           H        CYS  48  -1.724   0.415   0.415
  319    HA   CYS  48           HA       CYS  48   0.707   0.298   0.298
  320   1HB   CYS  48          2HB       CYS  48  -2.031  -0.779  -0.779
  321   2HB   CYS  48          1HB       CYS  48  -0.490  -1.307  -1.307
  322    H    HIS  49           H        HIS  49  -1.307   2.818   2.818
  323    HA   HIS  49           HA       HIS  49  -2.391   3.409   3.409
  324   1HB   HIS  49          2HB       HIS  49  -2.246   4.868   4.868
  325   2HB   HIS  49          1HB       HIS  49  -0.567   5.207   5.207
  326    HD1  HIS  49          1HD       HIS  49  -2.983   7.331   7.331
  327    HD2  HIS  49          2HD       HIS  49  -1.316   5.538   5.538
  328    HE1  HIS  49          1HE       HIS  49  -3.481   8.867   8.867
  329    H    VAL  50           H        VAL  50  -1.508   3.334   3.334
  330    HA   VAL  50           HA       VAL  50   1.366   4.036   4.036
  331    HB   VAL  50           HB       VAL  50   1.549   2.011   2.011
  332   1HG1  VAL  50          1HG1      VAL  50   1.745   2.233   2.233
  333   2HG1  VAL  50          3HG1      VAL  50   0.966   0.680   0.680
  334   3HG1  VAL  50          2HG1      VAL  50   2.529   1.041   1.041
  335   1HG2  VAL  50          1HG2      VAL  50  -0.989   1.812   1.812
  336   2HG2  VAL  50          3HG2      VAL  50  -0.116   0.304   0.304
  337   3HG2  VAL  50          2HG2      VAL  50  -0.948   1.097   1.097
  338    H    TYR  51           H        TYR  51   1.852   4.428   4.428
  339    HA   TYR  51           HA       TYR  51  -0.580   5.348   5.348
  340   1HB   TYR  51          2HB       TYR  51   2.156   6.457   6.457
  341   2HB   TYR  51          1HB       TYR  51   1.269   6.960   6.960
  342    HD1  TYR  51          1HD       TYR  51  -1.258   6.195   6.195
  343    HD2  TYR  51          2HD       TYR  51   1.829   9.137   9.137
  344    HE1  TYR  51          1HE       TYR  51  -2.563   7.835   7.835
  345    HE2  TYR  51          2HE       TYR  51   0.503  10.774  10.774
  346    HH   TYR  51           HH       TYR  51  -2.638  10.518  10.518
  347    H    VAL  52           H        VAL  52  -0.907   4.336   4.336
  348    HA   VAL  52           HA       VAL  52   1.349   2.828   2.828
  349    HB   VAL  52           HB       VAL  52  -1.567   2.747   2.747
  350   1HG1  VAL  52          2HG1      VAL  52   0.467   1.590   1.590
  351   2HG1  VAL  52          1HG1      VAL  52   0.367   0.446   0.446
  352   3HG1  VAL  52          3HG1      VAL  52  -1.023   0.675   0.675
  353   1HG2  VAL  52          1HG2      VAL  52  -0.354   1.934   1.934
  354   2HG2  VAL  52          3HG2      VAL  52  -2.060   2.012   2.012
  355   3HG2  VAL  52          2HG2      VAL  52  -1.108   0.583   0.583
  356    H    ASN  53           H        ASN  53   1.442   3.089   3.089
  357    HA   ASN  53           HA       ASN  53   1.302   5.975   5.975
  358   1HB   ASN  53          2HB       ASN  53   2.362   5.222   5.222
  359   2HB   ASN  53          1HB       ASN  53   3.159   4.421   4.421
  360   1HD2  ASN  53          2HD2      ASN  53   1.864   1.263   1.263
  361   2HD2  ASN  53          1HD2      ASN  53   2.635   2.170   2.170
  362    H    GLU  54           H        GLU  54  -0.341   6.925   6.925
  363    HA   GLU  54           HA       GLU  54  -2.896   6.036   6.036
  364   1HB   GLU  54          2HB       GLU  54  -2.977   7.592   7.592
  365   2HB   GLU  54          1HB       GLU  54  -2.097   8.268   8.268
  366   1HG   GLU  54          2HG       GLU  54  -0.111   6.930   6.930
  367   2HG   GLU  54          1HG       GLU  54  -1.119   7.540   7.540
  368    H    ALA  55           H        ALA  55  -0.157   4.917   4.917
  369    HA   ALA  55           HA       ALA  55  -1.696   3.792   3.792
  370   1HB   ALA  55          3HB       ALA  55   0.984   4.192   4.192
  371   2HB   ALA  55          2HB       ALA  55   0.810   2.446   2.446
  372   3HB   ALA  55          1HB       ALA  55   0.401   3.513   3.513
  373    H    PHE  56           H        PHE  56  -0.452   2.379   2.379
  374    HA   PHE  56           HA       PHE  56  -1.830  -0.174  -0.174
  375   1HB   PHE  56          2HB       PHE  56   0.285   0.631   0.631
  376   2HB   PHE  56          1HB       PHE  56  -0.456  -0.961  -0.961
  377    HD1  PHE  56          2HD       PHE  56   1.477   1.418   1.418
  378    HD2  PHE  56          1HD       PHE  56   0.237  -2.697  -2.697
  379    HE1  PHE  56          2HE       PHE  56   2.951   0.738   0.738
  380    HE2  PHE  56          1HE       PHE  56   1.712  -3.326  -3.326
  381    HZ   PHE  56           HZ       PHE  56   3.072  -1.633  -1.633
  382    H    THR  57           H        THR  57  -2.177   2.585   2.585
  383    HA   THR  57           HA       THR  57  -3.836   1.147   1.147
  384    HB   THR  57           HB       THR  57  -3.428   2.997   2.997
  385    HG1  THR  57          1HG       THR  57  -4.554   4.550   4.550
  386   1HG2  THR  57          2HG2      THR  57  -1.445   3.221   3.221
  387   2HG2  THR  57          1HG2      THR  57  -2.378   4.518   4.518
  388   3HG2  THR  57          3HG2      THR  57  -1.886   4.643   4.643
  389    H    ASP  58           H        ASP  58  -4.264   2.797   2.797
  390    HA   ASP  58           HA       ASP  58  -7.159   3.197   3.197
  391   1HB   ASP  58          2HB       ASP  58  -6.952   4.037   4.037
  392   2HB   ASP  58          1HB       ASP  58  -5.604   4.654   4.654
  393    H    LYS  59           H        LYS  59  -4.986   0.741   0.741
  394    HA   LYS  59           HA       LYS  59  -6.978  -0.701  -0.701
  395   1HB   LYS  59          2HB       LYS  59  -4.226  -1.344  -1.344
  396   2HB   LYS  59          1HB       LYS  59  -5.106  -2.396  -2.396
  397   1HG   LYS  59          2HG       LYS  59  -4.109   0.414   0.414
  398   2HG   LYS  59          1HG       LYS  59  -3.640  -1.066  -1.066
  399   1HD   LYS  59          2HD       LYS  59  -6.277  -1.178  -1.178
  400   2HD   LYS  59          1HD       LYS  59  -6.117   0.571   0.571
  401   1HE   LYS  59          2HE       LYS  59  -5.418   0.606   0.606
  402   2HE   LYS  59          1HE       LYS  59  -3.942  -0.215  -0.215
  403   1HZ   LYS  59          3HZ       LYS  59  -6.493  -1.601  -1.601
  404   2HZ   LYS  59          2HZ       LYS  59  -5.184  -1.485  -1.485
  405   3HZ   LYS  59          1HZ       LYS  59  -5.011  -2.329  -2.329
  406    H    VAL  60           H        VAL  60  -5.335  -1.229  -1.229
  407    HA   VAL  60           HA       VAL  60  -6.432  -3.588  -3.588
  408    HB   VAL  60           HB       VAL  60  -6.382  -2.309  -2.309
  409   1HG1  VAL  60          1HG1      VAL  60  -4.378  -3.337  -3.337
  410   2HG1  VAL  60          3HG1      VAL  60  -3.760  -1.784  -1.784
  411   3HG1  VAL  60          2HG1      VAL  60  -4.253  -3.012  -3.012
  412   1HG2  VAL  60          2HG2      VAL  60  -6.779  -0.096  -0.096
  413   2HG2  VAL  60          1HG2      VAL  60  -5.573  -0.100  -0.100
  414   3HG2  VAL  60          3HG2      VAL  60  -5.064  -0.180  -0.180
  415    HA   PRO  61           HA       PRO  61 -10.772  -3.193  -3.193
  416   1HB   PRO  61          2HB       PRO  61 -11.160  -3.988  -3.988
  417   2HB   PRO  61          1HB       PRO  61 -10.812  -5.106  -5.106
  418   1HG   PRO  61          2HG       PRO  61  -8.939  -3.930  -3.930
  419   2HG   PRO  61          1HG       PRO  61  -9.058  -5.604  -5.604
  420   1HD   PRO  61          2HD       PRO  61  -7.161  -3.974  -3.974
  421   2HD   PRO  61          1HD       PRO  61  -7.992  -5.129  -5.129
  422    H    ALA  62           H        ALA  62 -12.441  -2.092  -2.092
  423    HA   ALA  62           HA       ALA  62 -11.666   0.617   0.617
  424   1HB   ALA  62          1HB       ALA  62 -13.776  -0.757  -0.757
  425   2HB   ALA  62          3HB       ALA  62 -14.442  -0.209  -0.209
  426   3HB   ALA  62          2HB       ALA  62 -13.767   0.963   0.963
  427    H    ALA  63           H        ALA  63 -10.951   0.982   0.982
  428    HA   ALA  63           HA       ALA  63 -11.567  -0.681  -0.681
  429   1HB   ALA  63          3HB       ALA  63 -10.464   2.128   2.128
  430   2HB   ALA  63          2HB       ALA  63 -10.455   1.237   1.237
  431   3HB   ALA  63          1HB       ALA  63  -9.529   0.638   0.638
  432    H    ASN  64           H        ASN  64 -13.036  -0.264  -0.264
  433    HA   ASN  64           HA       ASN  64 -15.259   1.608   1.608
  434   1HB   ASN  64          2HB       ASN  64 -16.392   0.261   0.261
  435   2HB   ASN  64          1HB       ASN  64 -15.896  -0.678  -0.678
  436   1HD2  ASN  64          2HD2      ASN  64 -14.624  -2.694  -2.694
  437   2HD2  ASN  64          1HD2      ASN  64 -16.084  -2.383  -2.383
  438    H    GLU  65           H        GLU  65 -16.326   2.263   2.263
  439    HA   GLU  65           HA       GLU  65 -14.804   4.380   4.380
  440   1HB   GLU  65          2HB       GLU  65 -16.584   4.520   4.520
  441   2HB   GLU  65          1HB       GLU  65 -17.305   3.727   3.727
  442   1HG   GLU  65          2HG       GLU  65 -18.019   2.310   2.310
  443   2HG   GLU  65          1HG       GLU  65 -16.508   1.525   1.525
  444    H    ARG  66           H        ARG  66 -14.736   0.958   0.958
  445    HA   ARG  66           HA       ARG  66 -13.471   1.174   1.174
  446   1HB   ARG  66          2HB       ARG  66 -14.289  -0.818  -0.818
  447   2HB   ARG  66          1HB       ARG  66 -12.617  -1.157  -1.157
  448   1HG   ARG  66          2HG       ARG  66 -13.290  -0.927  -0.927
  449   2HG   ARG  66          1HG       ARG  66 -14.968  -0.803  -0.803
  450   1HD   ARG  66          2HD       ARG  66 -13.101  -3.157  -3.157
  451   2HD   ARG  66          1HD       ARG  66 -14.535  -3.130  -3.130
  452    HE   ARG  66           HE       ARG  66 -15.650  -2.361  -2.361
  453   1HH1  ARG  66          1HH2      ARG  66 -12.900  -3.709  -3.709
  454   2HH1  ARG  66          2HH2      ARG  66 -13.537  -5.198  -5.198
  455   1HH2  ARG  66          1HH1      ARG  66 -16.665  -4.756  -4.756
  456   2HH2  ARG  66          2HH1      ARG  66 -15.668  -5.791  -5.791
  457    H    GLU  67           H        GLU  67 -12.286   1.694   1.694
  458    HA   GLU  67           HA       GLU  67  -9.458   1.398   1.398
  459   1HB   GLU  67          2HB       GLU  67  -9.919   0.343   0.343
  460   2HB   GLU  67          1HB       GLU  67 -11.003   1.634   1.634
  461   1HG   GLU  67          2HG       GLU  67  -8.177   2.378   2.378
  462   2HG   GLU  67          1HG       GLU  67  -8.495   1.422   1.422
  463    H    ILE  68           H        ILE  68 -11.811   3.724   3.724
  464    HA   ILE  68           HA       ILE  68 -10.144   5.983   5.983
  465    HB   ILE  68           HB       ILE  68 -12.976   5.487   5.487
  466   1HG1  ILE  68          2HG1      ILE  68 -13.504   6.233   6.233
  467   2HG1  ILE  68          1HG1      ILE  68 -11.955   7.053   7.053
  468   1HG2  ILE  68          3HG2      ILE  68 -12.172   7.564   7.564
  469   2HG2  ILE  68          2HG2      ILE  68 -11.796   8.248   8.248
  470   3HG2  ILE  68          1HG2      ILE  68 -13.465   7.855   7.855
  471   1HD1  ILE  68          3HD1      ILE  68 -12.162   4.053   4.053
  472   2HD1  ILE  68          2HD1      ILE  68 -12.202   4.829   4.829
  473   3HD1  ILE  68          1HD1      ILE  68 -10.776   4.986   4.986
  474    H    GLY  69           H        GLY  69 -11.927   5.246   5.246
  475   1HA   GLY  69          2HA       GLY  69 -10.332   7.207   7.207
  476   2HA   GLY  69          1HA       GLY  69 -11.517   6.116   6.116
  477    H    MET  70           H        MET  70 -10.526   3.653   3.653
  478    HA   MET  70           HA       MET  70  -8.588   2.930   2.930
  479   1HB   MET  70          2HB       MET  70  -9.978   1.851   1.851
  480   2HB   MET  70          1HB       MET  70  -8.324   1.684   1.684
  481   1HG   MET  70          2HG       MET  70  -7.798   0.273   0.273
  482   2HG   MET  70          1HG       MET  70  -9.211   0.785   0.785
  483   1HE   MET  70          3HE       MET  70  -8.598   0.036   0.036
  484   2HE   MET  70          2HE       MET  70  -7.738  -1.271  -1.271
  485   3HE   MET  70          1HE       MET  70  -9.119  -1.656  -1.656
  486    H    LEU  71           H        LEU  71  -8.247   3.647   3.647
  487    HA   LEU  71           HA       LEU  71  -5.383   3.642   3.642
  488   1HB   LEU  71          2HB       LEU  71  -7.202   3.110   3.110
  489   2HB   LEU  71          1HB       LEU  71  -7.590   4.836   4.836
  490    HG   LEU  71           HG       LEU  71  -5.381   3.393   3.393
  491   1HD1  LEU  71          1HD1      LEU  71  -7.413   5.355   5.355
  492   2HD1  LEU  71          3HD1      LEU  71  -5.841   6.023   6.023
  493   3HD1  LEU  71          2HD1      LEU  71  -6.384   4.500   4.500
  494   1HD2  LEU  71          1HD2      LEU  71  -4.144   4.691   4.691
  495   2HD2  LEU  71          3HD2      LEU  71  -3.801   5.239   5.239
  496   3HD2  LEU  71          2HD2      LEU  71  -4.900   6.161   6.161
  497    H    GLU  72           H        GLU  72  -7.842   6.150   6.150
  498    HA   GLU  72           HA       GLU  72  -5.821   8.304   8.304
  499   1HB   GLU  72          2HB       GLU  72  -7.959   8.844   8.844
  500   2HB   GLU  72          1HB       GLU  72  -8.794   8.131   8.131
  501   1HG   GLU  72          2HG       GLU  72  -8.450   9.966   9.966
  502   2HG   GLU  72          1HG       GLU  72  -6.887  10.343  10.343
  503    H    CYS  73           H        CYS  73  -6.626   6.068   6.068
  504    HA   CYS  73           HA       CYS  73  -6.993   7.485   7.485
  505   1HB   CYS  73          2HB       CYS  73  -6.084   4.912   4.912
  506   2HB   CYS  73          1HB       CYS  73  -4.992   5.470   5.470
  507    HG   CYS  73           HG       CYS  73  -8.077   5.501   5.501
  508    H    VAL  74           H        VAL  74  -3.884   6.675   6.675
  509    HA   VAL  74           HA       VAL  74  -2.464   8.638   8.638
  510    HB   VAL  74           HB       VAL  74  -0.489   7.681   7.681
  511   1HG1  VAL  74          2HG1      VAL  74  -2.568   5.954   5.954
  512   2HG1  VAL  74          1HG1      VAL  74  -1.202   5.143   5.143
  513   3HG1  VAL  74          3HG1      VAL  74  -0.922   6.302   6.302
  514   1HG2  VAL  74          2HG2      VAL  74  -2.579   6.823   6.823
  515   2HG2  VAL  74          1HG2      VAL  74  -0.852   7.046   7.046
  516   3HG2  VAL  74          3HG2      VAL  74  -1.449   5.535   5.535
  517    H    THR  75           H        THR  75  -2.806  10.757  10.757
  518    HA   THR  75           HA       THR  75  -3.525  11.622  11.622
  519    HB   THR  75           HB       THR  75  -1.965  12.739  12.739
  520    HG1  THR  75          1HG       THR  75  -3.707  14.397  14.397
  521   1HG2  THR  75          2HG2      THR  75  -1.731  13.712  13.712
  522   2HG2  THR  75          1HG2      THR  75  -2.110  14.948  14.948
  523   3HG2  THR  75          3HG2      THR  75  -0.655  13.965  13.965
  524    H    ALA  76           H        ALA  76  -2.536  10.685  10.685
  525    HA   ALA  76           HA       ALA  76   0.439  10.965  10.965
  526   1HB   ALA  76          1HB       ALA  76  -1.213   8.709   8.709
  527   2HB   ALA  76          3HB       ALA  76  -0.833   9.046   9.046
  528   3HB   ALA  76          2HB       ALA  76   0.466   8.791   8.791
  529    H    GLU  77           H        GLU  77  -1.963  12.743  12.743
  530    HA   GLU  77           HA       GLU  77  -2.431  14.277  14.277
  531   1HB   GLU  77          2HB       GLU  77  -0.555  14.835  14.835
  532   2HB   GLU  77          1HB       GLU  77   0.236  13.540  13.540
  533   1HG   GLU  77          2HG       GLU  77  -0.705  12.016  12.016
  534   2HG   GLU  77          1HG       GLU  77  -0.828  13.534  13.534
  535    H    LEU  78           H        LEU  78  -3.712  11.852  11.852
  536    HA   LEU  78           HA       LEU  78  -4.429   9.954   9.954
  537   1HB   LEU  78          2HB       LEU  78  -5.851  10.811  10.811
  538   2HB   LEU  78          1HB       LEU  78  -6.167  12.279  12.279
  539    HG   LEU  78           HG       LEU  78  -7.438  11.093  11.093
  540   1HD1  LEU  78          1HD1      LEU  78  -5.885   8.795   8.795
  541   2HD1  LEU  78          3HD1      LEU  78  -7.562   8.432   8.432
  542   3HD1  LEU  78          2HD1      LEU  78  -6.486   9.110   9.110
  543   1HD2  LEU  78          1HD2      LEU  78  -7.946  10.274  10.274
  544   2HD2  LEU  78          3HD2      LEU  78  -8.883  11.358  11.358
  545   3HD2  LEU  78          2HD2      LEU  78  -8.962   9.614   9.614
  546    H    LYS  79           H        LYS  79  -4.798   9.526   9.526
  547    HA   LYS  79           HA       LYS  79  -5.403  11.813  11.813
  548   1HB   LYS  79          2HB       LYS  79  -3.874   9.424   9.424
  549   2HB   LYS  79          1HB       LYS  79  -3.729  11.109  11.109
  550   1HG   LYS  79          2HG       LYS  79  -2.713  11.578  11.578
  551   2HG   LYS  79          1HG       LYS  79  -2.654   9.836   9.836
  552   1HD   LYS  79          2HD       LYS  79  -0.644   9.921   9.921
  553   2HD   LYS  79          1HD       LYS  79  -1.573  10.125  10.125
  554   1HE   LYS  79          2HE       LYS  79  -1.602  12.634  12.634
  555   2HE   LYS  79          1HE       LYS  79  -0.297  12.253  12.253
  556   1HZ   LYS  79          1HZ       LYS  79   0.733  10.985  10.985
  557   2HZ   LYS  79          3HZ       LYS  79  -0.349  11.823  11.823
  558   3HZ   LYS  79          2HZ       LYS  79   0.797  12.680  12.680
  559    HA   PRO  80           HA       PRO  80  -8.401   9.072   9.072
  560   1HB   PRO  80          2HB       PRO  80  -7.890   8.946   8.946
  561   2HB   PRO  80          1HB       PRO  80  -8.517  10.405  10.405
  562   1HG   PRO  80          2HG       PRO  80  -5.813   9.820   9.820
  563   2HG   PRO  80          1HG       PRO  80  -6.638  11.371  11.371
  564   1HD   PRO  80          2HD       PRO  80  -4.676  10.285  10.285
  565   2HD   PRO  80          1HD       PRO  80  -5.696  11.701  11.701
  566    H    ASN  81           H        ASN  81  -5.110   8.247   8.247
  567    HA   ASN  81           HA       ASN  81  -5.841   5.432   5.432
  568   1HB   ASN  81          2HB       ASN  81  -3.384   5.353   5.353
  569   2HB   ASN  81          1HB       ASN  81  -4.294   6.554   6.554
  570   1HD2  ASN  81          2HD2      ASN  81  -1.123   7.881   7.881
  571   2HD2  ASN  81          1HD2      ASN  81  -1.354   6.337   6.337
  572    H    SER  82           H        SER  82  -4.789   7.318   7.318
  573    HA   SER  82           HA       SER  82  -3.002   5.716   5.716
  574   1HB   SER  82          2HB       SER  82  -5.489   7.085   7.085
  575   2HB   SER  82          1HB       SER  82  -4.010   6.758   6.758
  576    HG   SER  82           HG       SER  82  -3.141   8.018   8.018
  577    H    ARG  83           H        ARG  83  -3.309   4.053   4.053
  578    HA   ARG  83           HA       ARG  83  -5.816   2.755   2.755
  579   1HB   ARG  83          2HB       ARG  83  -4.461   2.132   2.132
  580   2HB   ARG  83          1HB       ARG  83  -4.546   0.698   0.698
  581   1HG   ARG  83          2HG       ARG  83  -6.849   0.621   0.621
  582   2HG   ARG  83          1HG       ARG  83  -7.007   2.370   2.370
  583   1HD   ARG  83          2HD       ARG  83  -7.509   1.936   1.936
  584   2HD   ARG  83          1HD       ARG  83  -5.761   1.720   1.720
  585    HE   ARG  83           HE       ARG  83  -6.152  -0.722  -0.722
  586   1HH1  ARG  83          1HH2      ARG  83  -8.128   1.110   1.110
  587   2HH1  ARG  83          2HH2      ARG  83  -9.362  -0.093  -0.093
  588   1HH2  ARG  83          1HH1      ARG  83  -8.007  -2.208  -2.208
  589   2HH2  ARG  83          2HH1      ARG  83  -9.293  -1.972  -1.972
  590    H    LEU  84           H        LEU  84  -5.471   0.966   0.966
  591    HA   LEU  84           HA       LEU  84  -2.998   1.180   1.180
  592   1HB   LEU  84          2HB       LEU  84  -5.542  -0.412  -0.412
  593   2HB   LEU  84          1HB       LEU  84  -4.208  -0.935  -0.935
  594    HG   LEU  84           HG       LEU  84  -5.126   1.923   1.923
  595   1HD1  LEU  84          3HD1      LEU  84  -7.047   0.440   0.440
  596   2HD1  LEU  84          2HD1      LEU  84  -6.184  -0.400  -0.400
  597   3HD1  LEU  84          1HD1      LEU  84  -6.652   1.308   1.308
  598   1HD2  LEU  84          3HD2      LEU  84  -2.968   0.796   0.796
  599   2HD2  LEU  84          2HD2      LEU  84  -3.873   2.069   2.069
  600   3HD2  LEU  84          1HD2      LEU  84  -4.150   0.377   0.377
  601    H    SER  85           H        SER  85  -1.363  -0.498  -0.498
  602    HA   SER  85           HA       SER  85  -0.511  -1.788  -1.788
  603   1HB   SER  85          2HB       SER  85   0.891  -3.082  -3.082
  604   2HB   SER  85          1HB       SER  85   0.637  -1.571  -1.571
  605    HG   SER  85           HG       SER  85   0.187  -3.084  -3.084
  606    H    CYS  86           H        CYS  86  -3.077  -2.691  -2.691
  607    HA   CYS  86           HA       CYS  86  -3.482  -5.286  -5.286
  608   1HB   CYS  86          2HB       CYS  86  -4.818  -4.528  -4.528
  609   2HB   CYS  86          1HB       CYS  86  -4.319  -6.112  -6.112
  610    H    GLN  87           H        GLN  87  -4.257  -2.967  -2.967
  611    HA   GLN  87           HA       GLN  87  -7.242  -3.051  -3.051
  612   1HB   GLN  87          2HB       GLN  87  -5.562  -0.955  -0.955
  613   2HB   GLN  87          1HB       GLN  87  -5.942  -0.666  -0.666
  614   1HG   GLN  87          2HG       GLN  87  -7.578   0.473   0.473
  615   2HG   GLN  87          1HG       GLN  87  -8.365  -0.848  -0.848
  616   1HE2  GLN  87          2HE2      GLN  87  -7.501  -2.258  -2.258
  617   2HE2  GLN  87          1HE2      GLN  87  -6.299  -1.985  -1.985
  618    H    ILE  88           H        ILE  88  -4.422  -2.833  -2.833
  619    HA   ILE  88           HA       ILE  88  -6.121  -3.181  -3.181
  620    HB   ILE  88           HB       ILE  88  -3.296  -2.799  -2.799
  621   1HG1  ILE  88          2HG1      ILE  88  -4.606  -0.862  -0.862
  622   2HG1  ILE  88          1HG1      ILE  88  -3.049  -1.668  -1.668
  623   1HG2  ILE  88          1HG2      ILE  88  -5.765  -2.075  -2.075
  624   2HG2  ILE  88          3HG2      ILE  88  -5.051  -0.542  -0.542
  625   3HG2  ILE  88          2HG2      ILE  88  -4.184  -1.595  -1.595
  626   1HD1  ILE  88          2HD1      ILE  88  -2.951  -0.267  -0.267
  627   2HD1  ILE  88          1HD1      ILE  88  -3.645   0.847   0.847
  628   3HD1  ILE  88          3HD1      ILE  88  -2.072   0.109   0.109
  629    H    ILE  89           H        ILE  89  -5.705  -4.944  -4.944
  630    HA   ILE  89           HA       ILE  89  -4.033  -7.109  -7.109
  631    HB   ILE  89           HB       ILE  89  -6.523  -7.009  -7.009
  632   1HG1  ILE  89          2HG1      ILE  89  -6.986  -6.949  -6.949
  633   2HG1  ILE  89          1HG1      ILE  89  -7.272  -8.616  -8.616
  634   1HG2  ILE  89          3HG2      ILE  89  -4.938  -8.671  -8.671
  635   2HG2  ILE  89          2HG2      ILE  89  -4.860  -9.466  -9.466
  636   3HG2  ILE  89          1HG2      ILE  89  -6.381  -9.426  -9.426
  637   1HD1  ILE  89          1HD1      ILE  89  -4.832  -9.064  -9.064
  638   2HD1  ILE  89          3HD1      ILE  89  -4.891  -7.496  -7.496
  639   3HD1  ILE  89          2HD1      ILE  89  -5.979  -8.788  -8.788
  640    H    MET  90           H        MET  90  -2.881  -8.481  -8.481
  641    HA   MET  90           HA       MET  90  -1.937  -6.923  -6.923
  642   1HB   MET  90          2HB       MET  90  -0.594  -7.883  -7.883
  643   2HB   MET  90          1HB       MET  90  -0.452  -9.260  -9.260
  644   1HG   MET  90          2HG       MET  90   1.445  -7.694  -7.694
  645   2HG   MET  90          1HG       MET  90   0.482  -7.807  -7.807
  646   1HE   MET  90          2HE       MET  90   0.104  -6.365  -6.365
  647   2HE   MET  90          1HE       MET  90  -1.289  -5.379  -5.379
  648   3HE   MET  90          3HE       MET  90   0.281  -4.617  -4.617
  649    H    THR  91           H        THR  91  -2.914  -7.684  -7.684
  650    HA   THR  91           HA       THR  91  -3.617 -10.571 -10.571
  651    HB   THR  91           HB       THR  91  -4.538  -9.392  -9.392
  652    HG1  THR  91          1HG       THR  91  -5.218  -7.284  -7.284
  653   1HG2  THR  91          1HG2      THR  91  -5.777  -9.221  -9.221
  654   2HG2  THR  91          3HG2      THR  91  -6.657  -9.045  -9.045
  655   3HG2  THR  91          2HG2      THR  91  -5.902 -10.585 -10.585
  656    HA   PRO  92           HA       PRO  92  -0.409 -11.479 -11.479
  657   1HB   PRO  92          2HB       PRO  92  -1.652 -12.849 -12.849
  658   2HB   PRO  92          1HB       PRO  92  -1.376 -13.531 -13.531
  659   1HG   PRO  92          2HG       PRO  92  -3.857 -12.406 -12.406
  660   2HG   PRO  92          1HG       PRO  92  -3.645 -13.753 -13.753
  661   1HD   PRO  92          2HD       PRO  92  -4.473 -11.235 -11.235
  662   2HD   PRO  92          1HD       PRO  92  -3.696 -12.394 -12.394
  663    H    GLU  93           H        GLU  93  -3.243  -9.940  -9.940
  664    HA   GLU  93           HA       GLU  93  -1.749  -9.071  -9.071
  665   1HB   GLU  93          2HB       GLU  93  -3.876  -7.909  -7.909
  666   2HB   GLU  93          1HB       GLU  93  -4.165  -9.583  -9.583
  667   1HG   GLU  93          2HG       GLU  93  -5.754  -8.518  -8.518
  668   2HG   GLU  93          1HG       GLU  93  -4.398  -8.524  -8.524
  669    H    LEU  94           H        LEU  94  -3.014  -7.505  -7.505
  670    HA   LEU  94           HA       LEU  94  -1.917  -4.901  -4.901
  671   1HB   LEU  94          2HB       LEU  94  -3.603  -6.201  -6.201
  672   2HB   LEU  94          1HB       LEU  94  -2.380  -5.275  -5.275
  673    HG   LEU  94           HG       LEU  94  -4.267  -4.279  -4.279
  674   1HD1  LEU  94          3HD1      LEU  94  -4.408  -4.434  -4.434
  675   2HD1  LEU  94          2HD1      LEU  94  -4.102  -2.740  -2.740
  676   3HD1  LEU  94          1HD1      LEU  94  -5.500  -3.562  -3.562
  677   1HD2  LEU  94          3HD2      LEU  94  -1.616  -3.449  -3.449
  678   2HD2  LEU  94          2HD2      LEU  94  -2.867  -2.548  -2.548
  679   3HD2  LEU  94          1HD2      LEU  94  -2.606  -2.266  -2.266
  680    H    ASP  95           H        ASP  95   0.245  -6.603  -6.603
  681    HA   ASP  95           HA       ASP  95   1.743  -6.494  -6.494
  682   1HB   ASP  95          2HB       ASP  95   3.311  -7.964  -7.964
  683   2HB   ASP  95          1HB       ASP  95   1.732  -8.645  -8.645
  684    H    GLY  96           H        GLY  96   3.850  -5.594  -5.594
  685   1HA   GLY  96          2HA       GLY  96   5.714  -4.341  -4.341
  686   2HA   GLY  96          1HA       GLY  96   4.603  -3.812  -3.812
  687    H    ILE  97           H        ILE  97   3.405  -3.911  -3.911
  688    HA   ILE  97           HA       ILE  97   2.713  -1.140  -1.140
  689    HB   ILE  97           HB       ILE  97   1.245  -2.673  -2.673
  690   1HG1  ILE  97          2HG1      ILE  97   2.503  -1.374  -1.374
  691   2HG1  ILE  97          1HG1      ILE  97   1.810  -0.362  -0.362
  692   1HG2  ILE  97          2HG2      ILE  97   3.633  -3.900  -3.900
  693   2HG2  ILE  97          1HG2      ILE  97   2.828  -3.419  -3.419
  694   3HG2  ILE  97          3HG2      ILE  97   1.995  -4.455  -4.455
  695   1HD1  ILE  97          1HD1      ILE  97   0.024  -2.546  -2.546
  696   2HD1  ILE  97          3HD1      ILE  97   0.421  -1.638  -1.638
  697   3HD1  ILE  97          2HD1      ILE  97  -0.277  -0.810  -0.810
  698    H    VAL  98           H        VAL  98   3.209   0.473   0.473
  699    HA   VAL  98           HA       VAL  98   5.886   0.454   0.454
  700    HB   VAL  98           HB       VAL  98   4.483   2.755   2.755
  701   1HG1  VAL  98          3HG1      VAL  98   7.231   2.212   2.212
  702   2HG1  VAL  98          2HG1      VAL  98   7.054   3.331   3.331
  703   3HG1  VAL  98          1HG1      VAL  98   6.223   3.648   3.648
  704   1HG2  VAL  98          3HG2      VAL  98   5.712   0.383   0.383
  705   2HG2  VAL  98          2HG2      VAL  98   4.891   1.715   1.715
  706   3HG2  VAL  98          1HG2      VAL  98   6.613   1.829   1.829
  707    H    VAL  99           H        VAL  99   5.010   0.307   0.307
  708    HA   VAL  99           HA       VAL  99   3.033   2.436   2.436
  709    HB   VAL  99           HB       VAL  99   1.963   0.761   0.761
  710   1HG1  VAL  99          1HG1      VAL  99   3.187  -0.804  -0.804
  711   2HG1  VAL  99          3HG1      VAL  99   4.493  -0.808  -0.808
  712   3HG1  VAL  99          2HG1      VAL  99   2.906  -1.467  -1.467
  713   1HG2  VAL  99          1HG2      VAL  99   4.468   0.800   0.800
  714   2HG2  VAL  99          3HG2      VAL  99   2.891   1.513   1.513
  715   3HG2  VAL  99          2HG2      VAL  99   3.091  -0.244  -0.244
  716    H    ASP 100           H        ASP 100   3.320   3.198   3.198
  717    HA   ASP 100           HA       ASP 100   6.151   3.565   3.565
  718   1HB   ASP 100          2HB       ASP 100   4.518   6.028   6.028
  719   2HB   ASP 100          1HB       ASP 100   6.268   5.846   5.846
  720    H    VAL 101           H        VAL 101   6.242   5.163   5.163
  721    HA   VAL 101           HA       VAL 101   3.837   4.757   4.757
  722    HB   VAL 101           HB       VAL 101   6.810   4.921   4.921
  723   1HG1  VAL 101          1HG1      VAL 101   5.567   6.433   6.433
  724   2HG1  VAL 101          3HG1      VAL 101   4.664   5.017   5.017
  725   3HG1  VAL 101          2HG1      VAL 101   6.410   5.094   5.094
  726   1HG2  VAL 101          3HG2      VAL 101   5.191   2.788   2.788
  727   2HG2  VAL 101          2HG2      VAL 101   6.602   2.721   2.721
  728   3HG2  VAL 101          1HG2      VAL 101   4.997   2.965   2.965
  729    HA   PRO 102           HA       PRO 102   3.358   9.161   9.161
  730   1HB   PRO 102          2HB       PRO 102   1.400   9.423   9.423
  731   2HB   PRO 102          1HB       PRO 102   1.110   8.754   8.754
  732   1HG   PRO 102          2HG       PRO 102   1.478   7.336   7.336
  733   2HG   PRO 102          1HG       PRO 102   0.364   6.986   6.986
  734   1HD   PRO 102          2HD       PRO 102   2.679   5.619   5.619
  735   2HD   PRO 102          1HD       PRO 102   1.936   5.820   5.820
  736    H    ASP 103           H        ASP 103   4.401  10.870  10.870
  737    HA   ASP 103           HA       ASP 103   5.256  10.514  10.514
  738   1HB   ASP 103          2HB       ASP 103   6.920  12.404  12.404
  739   2HB   ASP 103          1HB       ASP 103   7.234  10.705  10.705
  740    H    ARG 104           H        ARG 104   3.796  11.636  11.636
  741    HA   ARG 104           HA       ARG 104   3.042  14.395  14.395
  742   1HB   ARG 104          2HB       ARG 104   1.715  12.210  12.210
  743   2HB   ARG 104          1HB       ARG 104   1.285  13.875  13.875
  744   1HG   ARG 104          2HG       ARG 104   1.066  12.520  12.520
  745   2HG   ARG 104          1HG       ARG 104  -0.263  13.095  13.095
  746   1HD   ARG 104          2HD       ARG 104  -0.100  14.932  14.932
  747   2HD   ARG 104          1HD       ARG 104   1.204  15.385  15.385
  748    HE   ARG 104           HE       ARG 104   2.480  13.680  13.680
  749   1HH1  ARG 104          1HH2      ARG 104   0.947  16.734  16.734
  750   2HH1  ARG 104          2HH2      ARG 104   1.442  17.079  17.079
  751   1HH2  ARG 104          1HH1      ARG 104   2.908  13.977  13.977
  752   2HH2  ARG 104          2HH1      ARG 104   2.552  15.519  15.519
  753    H    GLN 105           H        GLN 105   5.543  14.320  14.320
  754    HA   GLN 105           HA       GLN 105   5.298  14.973  14.973
  755   1HB   GLN 105          2HB       GLN 105   7.493  14.104  14.104
  756   2HB   GLN 105          1HB       GLN 105   7.898  14.871  14.871
  757   1HG   GLN 105          2HG       GLN 105   6.522  13.176  13.176
  758   2HG   GLN 105          1HG       GLN 105   6.196  12.386  12.386
  759   1HE2  GLN 105          2HE2      GLN 105  10.105  12.297  12.297
  760   2HE2  GLN 105          1HE2      GLN 105   9.181  13.695  13.695
  761    H    TRP 106           H        TRP 106   4.245  17.085  17.085
  762    HA   TRP 106           HA       TRP 106   6.404  19.085  19.085
  763   1HB   TRP 106          2HB       TRP 106   3.597  18.854  18.854
  764   2HB   TRP 106          1HB       TRP 106   4.661  20.235  20.235
  765    HD1  TRP 106           HD       TRP 106   3.836  16.888  16.888
  766    HE1  TRP 106          1HE       TRP 106   5.542  16.186  16.186
  767    HE3  TRP 106          3HE       TRP 106   7.428  20.438  20.438
  768    HZ2  TRP 106          2HZ       TRP 106   8.096  17.021  17.021
  769    HZ3  TRP 106          3HZ       TRP 106   9.487  20.462  20.462
  770    HH2  TRP 106           HH       TRP 106   9.824  18.759  18.759

  Start of MODEL   20
    1   1H    SER   1          1HT       SER   1   2.211 -10.663 -10.663
    2   2H    SER   1          3HT       SER   1   1.304 -11.216 -11.216
    3   3H    SER   1          2HT       SER   1   2.938 -11.660 -11.660
    4    HA   SER   1           HA       SER   1   2.825  -9.960  -9.960
    5   1HB   SER   1          2HB       SER   1   1.726  -7.894  -7.894
    6   2HB   SER   1          1HB       SER   1   1.186  -8.393  -8.393
    7    HG   SER   1           HG       SER   1   0.612  -9.670  -9.670
    8    H    LYS   2           H        LYS   2   4.444  -8.286  -8.286
    9    HA   LYS   2           HA       LYS   2   6.460  -8.375  -8.375
   10   1HB   LYS   2          2HB       LYS   2   6.495  -8.000  -8.000
   11   2HB   LYS   2          1HB       LYS   2   6.389  -6.305  -6.305
   12   1HG   LYS   2          2HG       LYS   2   8.496  -6.292  -6.292
   13   2HG   LYS   2          1HG       LYS   2   8.362  -7.943  -7.943
   14   1HD   LYS   2          2HD       LYS   2   9.881  -8.284  -8.284
   15   2HD   LYS   2          1HD       LYS   2   8.376  -8.517  -8.517
   16   1HE   LYS   2          2HE       LYS   2   9.022  -5.697  -5.697
   17   2HE   LYS   2          1HE       LYS   2  10.387  -6.619  -6.619
   18   1HZ   LYS   2          1HZ       LYS   2   8.688  -7.862  -7.862
   19   2HZ   LYS   2          3HZ       LYS   2   7.556  -6.686  -6.686
   20   3HZ   LYS   2          2HZ       LYS   2   8.918  -6.241  -6.241
   21    H    VAL   3           H        VAL   3   6.308  -7.115  -7.115
   22    HA   VAL   3           HA       VAL   3   4.865  -4.499  -4.499
   23    HB   VAL   3           HB       VAL   3   4.997  -6.580  -6.580
   24   1HG1  VAL   3          2HG1      VAL   3   4.081  -3.697  -3.697
   25   2HG1  VAL   3          1HG1      VAL   3   3.724  -4.934  -4.934
   26   3HG1  VAL   3          3HG1      VAL   3   5.394  -4.448  -4.448
   27   1HG2  VAL   3          2HG2      VAL   3   3.264  -6.425  -6.425
   28   2HG2  VAL   3          1HG2      VAL   3   2.685  -6.721  -6.721
   29   3HG2  VAL   3          3HG2      VAL   3   2.592  -5.102  -5.102
   30    H    VAL   4           H        VAL   4   5.789  -2.698  -2.698
   31    HA   VAL   4           HA       VAL   4   8.481  -3.057  -3.057
   32    HB   VAL   4           HB       VAL   4   7.587  -1.278  -1.278
   33   1HG1  VAL   4          1HG1      VAL   4   9.484  -0.658  -0.658
   34   2HG1  VAL   4          3HG1      VAL   4  10.186  -0.519  -0.519
   35   3HG1  VAL   4          2HG1      VAL   4   8.751   0.416   0.416
   36   1HG2  VAL   4          3HG2      VAL   4   9.363  -3.561  -3.561
   37   2HG2  VAL   4          2HG2      VAL   4   8.704  -2.893  -2.893
   38   3HG2  VAL   4          1HG2      VAL   4  10.175  -2.214  -2.214
   39    H    TYR   5           H        TYR   5   8.564  -2.136  -2.136
   40    HA   TYR   5           HA       TYR   5   6.433  -0.234  -0.234
   41   1HB   TYR   5          2HB       TYR   5   8.504  -1.788  -1.788
   42   2HB   TYR   5          1HB       TYR   5   7.093  -0.964  -0.964
   43    HD1  TYR   5          2HD       TYR   5   4.838  -1.535  -1.535
   44    HD2  TYR   5          1HD       TYR   5   8.278  -4.133  -4.133
   45    HE1  TYR   5          2HE       TYR   5   3.408  -3.508  -3.508
   46    HE2  TYR   5          1HE       TYR   5   6.846  -6.005  -6.005
   47    HH   TYR   5           HH       TYR   5   3.845  -6.284  -6.284
   48    H    VAL   6           H        VAL   6   6.872   1.829   1.829
   49    HA   VAL   6           HA       VAL   6   9.778   2.632   2.632
   50    HB   VAL   6           HB       VAL   6   7.512   4.487   4.487
   51   1HG1  VAL   6          3HG1      VAL   6  10.050   5.069   5.069
   52   2HG1  VAL   6          2HG1      VAL   6  10.281   4.515   4.515
   53   3HG1  VAL   6          1HG1      VAL   6   9.197   5.865   5.865
   54   1HG2  VAL   6          1HG2      VAL   6   7.485   2.395   2.395
   55   2HG2  VAL   6          3HG2      VAL   6   7.698   3.915   3.915
   56   3HG2  VAL   6          2HG2      VAL   6   9.087   2.869   2.869
   57    H    SER   7           H        SER   7  10.399   3.626   3.626
   58    HA   SER   7           HA       SER   7   8.429   3.971   3.971
   59   1HB   SER   7          2HB       SER   7  10.486   4.692   4.692
   60   2HB   SER   7          1HB       SER   7  10.715   3.150   3.150
   61    HG   SER   7           HG       SER   7  11.391   5.660   5.660
   62    H    HIS   8           H        HIS   8   9.688   6.410   6.410
   63    HA   HIS   8           HA       HIS   8   8.557   8.358   8.358
   64   1HB   HIS   8          2HB       HIS   8   8.641   9.696   9.696
   65   2HB   HIS   8          1HB       HIS   8   7.244   8.804   8.804
   66    HD1  HIS   8          1HD       HIS   8   6.352   7.302   7.302
   67    HD2  HIS   8          2HD       HIS   8  10.472   7.683   7.683
   68    HE1  HIS   8          1HE       HIS   8   7.001   5.838   5.838
   69    H    ASP   9           H        ASP   9  11.410   7.217   7.217
   70    HA   ASP   9           HA       ASP   9  12.853   9.808   9.808
   71   1HB   ASP   9          2HB       ASP   9  14.614   8.653   8.653
   72   2HB   ASP   9          1HB       ASP   9  13.089   8.324   8.324
   73    H    GLY  10           H        GLY  10  11.896   7.292   7.292
   74   1HA   GLY  10          2HA       GLY  10  12.665   7.300   7.300
   75   2HA   GLY  10          1HA       GLY  10  14.299   7.576   7.576
   76    H    THR  11           H        THR  11  13.683   5.524   5.524
   77    HA   THR  11           HA       THR  11  14.970   3.297   3.297
   78    HB   THR  11           HB       THR  11  13.583   4.103   4.103
   79    HG1  THR  11          1HG       THR  11  15.780   3.223   3.223
   80   1HG2  THR  11          2HG2      THR  11  11.865   2.401   2.401
   81   2HG2  THR  11          1HG2      THR  11  13.112   1.180   1.180
   82   3HG2  THR  11          3HG2      THR  11  12.511   2.118   2.118
   83    H    ARG  12           H        ARG  12  14.324   1.564   1.564
   84    HA   ARG  12           HA       ARG  12  11.438   1.352   1.352
   85   1HB   ARG  12          2HB       ARG  12  13.969   1.429   1.429
   86   2HB   ARG  12          1HB       ARG  12  12.558   0.581   0.581
   87   1HG   ARG  12          2HG       ARG  12  11.278   2.774   2.774
   88   2HG   ARG  12          1HG       ARG  12  12.883   3.504   3.504
   89   1HD   ARG  12          2HD       ARG  12  13.215   2.852   2.852
   90   2HD   ARG  12          1HD       ARG  12  11.720   1.896   1.896
   91    HE   ARG  12           HE       ARG  12  10.529   4.099   4.099
   92   1HH1  ARG  12          1HH2      ARG  12  13.171   5.625   5.625
   93   2HH1  ARG  12          2HH2      ARG  12  13.220   6.430   6.430
   94   1HH2  ARG  12          1HH1      ARG  12  10.777   4.425   4.425
   95   2HH2  ARG  12          2HH1      ARG  12  11.864   5.750   5.750
   96    H    ARG  13           H        ARG  13  10.661  -0.779  -0.779
   97    HA   ARG  13           HA       ARG  13  12.551  -3.047  -3.047
   98   1HB   ARG  13          2HB       ARG  13  11.140  -2.067  -2.067
   99   2HB   ARG  13          1HB       ARG  13   9.842  -3.004  -3.004
  100   1HG   ARG  13          2HG       ARG  13  10.756  -4.988  -4.988
  101   2HG   ARG  13          1HG       ARG  13  12.395  -4.452  -4.452
  102   1HD   ARG  13          2HD       ARG  13  10.844  -3.631  -3.631
  103   2HD   ARG  13          1HD       ARG  13  12.125  -4.859  -4.859
  104    HE   ARG  13           HE       ARG  13  12.555  -1.979  -1.979
  105   1HH1  ARG  13          1HH2      ARG  13  14.894  -2.290  -2.290
  106   2HH1  ARG  13          2HH2      ARG  13  15.943  -2.997  -2.997
  107   1HH2  ARG  13          1HH1      ARG  13  13.353  -4.097  -4.097
  108   2HH2  ARG  13          2HH1      ARG  13  15.071  -4.020  -4.020
  109    H    GLU  14           H        GLU  14  12.257  -4.403  -4.403
  110    HA   GLU  14           HA       GLU  14   9.615  -4.381  -4.381
  111   1HB   GLU  14          2HB       GLU  14  12.238  -5.649  -5.649
  112   2HB   GLU  14          1HB       GLU  14  10.861  -5.268  -5.268
  113   1HG   GLU  14          2HG       GLU  14  11.968  -3.336  -3.336
  114   2HG   GLU  14          1HG       GLU  14  11.395  -2.829  -2.829
  115    H    LEU  15           H        LEU  15   8.216  -6.044  -6.044
  116    HA   LEU  15           HA       LEU  15   9.313  -8.581  -8.581
  117   1HB   LEU  15          2HB       LEU  15   6.777  -7.015  -7.015
  118   2HB   LEU  15          1HB       LEU  15   6.682  -8.760  -8.760
  119    HG   LEU  15           HG       LEU  15   8.430  -6.885  -6.885
  120   1HD1  LEU  15          3HD1      LEU  15   5.748  -7.973  -7.973
  121   2HD1  LEU  15          2HD1      LEU  15   6.812  -8.507  -8.507
  122   3HD1  LEU  15          1HD1      LEU  15   6.582  -6.786  -6.786
  123   1HD2  LEU  15          3HD2      LEU  15   9.401  -9.159  -9.159
  124   2HD2  LEU  15          2HD2      LEU  15   9.106  -8.781  -8.781
  125   3HD2  LEU  15          1HD2      LEU  15   7.973  -9.826  -9.826
  126    H    ASP  16           H        ASP  16   8.549 -10.561 -10.561
  127    HA   ASP  16           HA       ASP  16   7.420 -10.357 -10.357
  128   1HB   ASP  16          2HB       ASP  16   9.626 -11.651 -11.651
  129   2HB   ASP  16          1HB       ASP  16   8.433 -12.912 -12.912
  130    H    VAL  17           H        VAL  17   5.237 -10.049 -10.049
  131    HA   VAL  17           HA       VAL  17   4.050 -12.087 -12.087
  132    HB   VAL  17           HB       VAL  17   3.207  -9.415  -9.415
  133   1HG1  VAL  17          3HG1      VAL  17   1.637 -11.354 -11.354
  134   2HG1  VAL  17          2HG1      VAL  17   1.215  -9.649  -9.649
  135   3HG1  VAL  17          1HG1      VAL  17   1.182 -10.715 -10.715
  136   1HG2  VAL  17          3HG2      VAL  17   4.502 -10.352 -10.352
  137   2HG2  VAL  17          2HG2      VAL  17   4.335  -8.708  -8.708
  138   3HG2  VAL  17          1HG2      VAL  17   3.045  -9.422  -9.422
  139    H    ALA  18           H        ALA  18   1.708 -12.723 -12.723
  140    HA   ALA  18           HA       ALA  18   1.732 -13.339 -13.339
  141   1HB   ALA  18          1HB       ALA  18   2.326 -15.264 -15.264
  142   2HB   ALA  18          3HB       ALA  18   0.837 -15.046 -15.046
  143   3HB   ALA  18          2HB       ALA  18   0.763 -15.524 -15.524
  144    H    ASP  19           H        ASP  19  -0.928 -14.792 -14.792
  145    HA   ASP  19           HA       ASP  19  -2.625 -12.357 -12.357
  146   1HB   ASP  19          2HB       ASP  19  -4.012 -13.699 -13.699
  147   2HB   ASP  19          1HB       ASP  19  -2.399 -14.300 -14.300
  148    H    GLY  20           H        GLY  20  -3.819 -11.857 -11.857
  149   1HA   GLY  20          2HA       GLY  20  -5.564 -12.584 -12.584
  150   2HA   GLY  20          1HA       GLY  20  -4.650 -14.076 -14.076
  151    H    VAL  21           H        VAL  21  -2.209 -11.996 -11.996
  152    HA   VAL  21           HA       VAL  21  -2.147 -11.713 -11.713
  153    HB   VAL  21           HB       VAL  21  -0.088 -11.195 -11.195
  154   1HG1  VAL  21          3HG1      VAL  21  -0.003 -11.112 -11.112
  155   2HG1  VAL  21          2HG1      VAL  21   1.451 -11.485 -11.485
  156   3HG1  VAL  21          1HG1      VAL  21   0.629  -9.942  -9.942
  157   1HG2  VAL  21          1HG2      VAL  21  -0.958 -13.616 -13.616
  158   2HG2  VAL  21          3HG2      VAL  21  -0.114 -13.478 -13.478
  159   3HG2  VAL  21          2HG2      VAL  21   0.788 -13.354 -13.354
  160    H    SER  22           H        SER  22  -1.163  -9.645  -9.645
  161    HA   SER  22           HA       SER  22  -2.185  -7.262  -7.262
  162   1HB   SER  22          2HB       SER  22  -1.987  -6.796  -6.796
  163   2HB   SER  22          1HB       SER  22  -3.445  -6.856  -6.856
  164    HG   SER  22           HG       SER  22  -3.694  -8.955  -8.955
  165    H    LEU  23           H        LEU  23  -0.928  -5.205  -5.205
  166    HA   LEU  23           HA       LEU  23   1.885  -5.609  -5.609
  167   1HB   LEU  23          2HB       LEU  23   0.412  -3.267  -3.267
  168   2HB   LEU  23          1HB       LEU  23   2.008  -3.212  -3.212
  169    HG   LEU  23           HG       LEU  23  -0.653  -3.568  -3.568
  170   1HD1  LEU  23          1HD1      LEU  23   0.931  -1.382  -1.382
  171   2HD1  LEU  23          3HD1      LEU  23   1.533  -1.946  -1.946
  172   3HD1  LEU  23          2HD1      LEU  23  -0.177  -1.555  -1.555
  173   1HD2  LEU  23          1HD2      LEU  23   2.015  -4.638  -4.638
  174   2HD2  LEU  23          3HD2      LEU  23   0.402  -5.238  -5.238
  175   3HD2  LEU  23          2HD2      LEU  23   1.061  -3.853  -3.853
  176    H    MET  24           H        MET  24  -0.137  -5.341  -5.341
  177    HA   MET  24           HA       MET  24   2.018  -5.189  -5.189
  178   1HB   MET  24          2HB       MET  24  -0.732  -5.083  -5.083
  179   2HB   MET  24          1HB       MET  24  -0.382  -6.610  -6.610
  180   1HG   MET  24          2HG       MET  24   1.386  -5.284  -5.284
  181   2HG   MET  24          1HG       MET  24   0.542  -3.848  -3.848
  182   1HE   MET  24          1HE       MET  24  -0.391  -7.416  -7.416
  183   2HE   MET  24          3HE       MET  24   0.536  -6.900  -6.900
  184   3HE   MET  24          2HE       MET  24  -1.185  -7.257  -7.257
  185    H    GLN  25           H        GLN  25  -0.093  -7.891  -7.891
  186    HA   GLN  25           HA       GLN  25   0.991  -9.981  -9.981
  187   1HB   GLN  25          2HB       GLN  25  -0.925  -9.952  -9.952
  188   2HB   GLN  25          1HB       GLN  25   0.149  -9.794  -9.794
  189   1HG   GLN  25          2HG       GLN  25   0.942 -12.003 -12.003
  190   2HG   GLN  25          1HG       GLN  25   0.403 -12.124 -12.124
  191   1HE2  GLN  25          2HE2      GLN  25  -2.985 -11.912 -11.912
  192   2HE2  GLN  25          1HE2      GLN  25  -2.004 -10.558 -10.558
  193    H    ALA  26           H        ALA  26   2.054  -9.809  -9.809
  194    HA   ALA  26           HA       ALA  26   4.284 -11.445 -11.445
  195   1HB   ALA  26          3HB       ALA  26   3.790  -8.909  -8.909
  196   2HB   ALA  26          2HB       ALA  26   5.329  -9.796  -9.796
  197   3HB   ALA  26          1HB       ALA  26   3.783 -10.589 -10.589
  198    H    ALA  27           H        ALA  27   4.398  -7.916  -7.916
  199    HA   ALA  27           HA       ALA  27   7.075  -7.637  -7.637
  200   1HB   ALA  27          1HB       ALA  27   4.462  -6.215  -6.215
  201   2HB   ALA  27          3HB       ALA  27   5.835  -5.594  -5.594
  202   3HB   ALA  27          2HB       ALA  27   5.915  -5.701  -5.701
  203    H    VAL  28           H        VAL  28   4.127  -7.805  -7.805
  204    HA   VAL  28           HA       VAL  28   4.872  -7.764  -7.764
  205    HB   VAL  28           HB       VAL  28   2.911  -8.950  -8.950
  206   1HG1  VAL  28          1HG1      VAL  28   3.812 -10.648 -10.648
  207   2HG1  VAL  28          3HG1      VAL  28   2.087 -10.550 -10.550
  208   3HG1  VAL  28          2HG1      VAL  28   3.201 -11.143 -11.143
  209   1HG2  VAL  28          3HG2      VAL  28   2.709  -7.052  -7.052
  210   2HG2  VAL  28          2HG2      VAL  28   1.376  -8.205  -8.205
  211   3HG2  VAL  28          1HG2      VAL  28   2.547  -8.308  -8.308
  212    H    SER  29           H        SER  29   4.844 -10.874 -10.874
  213    HA   SER  29           HA       SER  29   6.325 -12.393 -12.393
  214   1HB   SER  29          2HB       SER  29   5.650 -13.866 -13.866
  215   2HB   SER  29          1HB       SER  29   5.235 -12.534 -12.534
  216    HG   SER  29           HG       SER  29   7.552 -14.093 -14.093
  217    H    ASN  30           H        ASN  30   7.333 -10.652 -10.652
  218    HA   ASN  30           HA       ASN  30  10.136 -11.152 -11.152
  219   1HB   ASN  30          2HB       ASN  30   8.218  -9.289  -9.289
  220   2HB   ASN  30          1HB       ASN  30   9.861  -8.673  -8.673
  221   1HD2  ASN  30          2HD2      ASN  30   9.017 -11.547 -11.547
  222   2HD2  ASN  30          1HD2      ASN  30   7.812 -10.836 -10.836
  223    H    GLY  31           H        GLY  31   8.035  -9.477  -9.477
  224   1HA   GLY  31          2HA       GLY  31   8.688  -8.437  -8.437
  225   2HA   GLY  31          1HA       GLY  31  10.352  -8.357  -8.357
  226    H    ILE  32           H        ILE  32   8.970  -7.277  -7.277
  227    HA   ILE  32           HA       ILE  32   9.600  -4.591  -4.591
  228    HB   ILE  32           HB       ILE  32   7.369  -6.111  -6.111
  229   1HG1  ILE  32          2HG1      ILE  32  10.137  -5.234  -5.234
  230   2HG1  ILE  32          1HG1      ILE  32   9.488  -6.869  -6.869
  231   1HG2  ILE  32          3HG2      ILE  32   8.315  -3.283  -3.283
  232   2HG2  ILE  32          2HG2      ILE  32   7.227  -4.205  -4.205
  233   3HG2  ILE  32          1HG2      ILE  32   6.713  -3.746  -3.746
  234   1HD1  ILE  32          2HD1      ILE  32   7.750  -5.887  -5.887
  235   2HD1  ILE  32          1HD1      ILE  32   9.053  -4.742  -4.742
  236   3HD1  ILE  32          3HD1      ILE  32   9.328  -6.471  -6.471
  237    H    TYR  33           H        TYR  33   6.624  -6.176  -6.176
  238    HA   TYR  33           HA       TYR  33   5.825  -3.590  -3.590
  239   1HB   TYR  33          2HB       TYR  33   4.264  -6.026  -6.026
  240   2HB   TYR  33          1HB       TYR  33   3.571  -4.761  -4.761
  241    HD1  TYR  33          1HD       TYR  33   3.635  -2.337  -2.337
  242    HD2  TYR  33          2HD       TYR  33   4.404  -5.808  -5.808
  243    HE1  TYR  33          1HE       TYR  33   3.161  -1.020  -1.020
  244    HE2  TYR  33          2HE       TYR  33   3.928  -4.536  -4.536
  245    HH   TYR  33           HH       TYR  33   4.081  -1.558  -1.558
  246    H    ASP  34           H        ASP  34   7.460  -4.288  -4.288
  247    HA   ASP  34           HA       ASP  34   7.198  -6.574  -6.574
  248   1HB   ASP  34          2HB       ASP  34   7.920  -4.960  -4.960
  249   2HB   ASP  34          1HB       ASP  34   8.924  -4.928  -4.928
  250    H    ILE  35           H        ILE  35   5.021  -3.968  -3.968
  251    HA   ILE  35           HA       ILE  35   3.350  -4.318  -4.318
  252    HB   ILE  35           HB       ILE  35   3.600  -2.196  -2.196
  253   1HG1  ILE  35          2HG1      ILE  35   0.876  -3.513  -3.513
  254   2HG1  ILE  35          1HG1      ILE  35   1.542  -2.370  -2.370
  255   1HG2  ILE  35          3HG2      ILE  35   3.597  -3.742  -3.742
  256   2HG2  ILE  35          2HG2      ILE  35   1.923  -3.196  -3.196
  257   3HG2  ILE  35          1HG2      ILE  35   3.233  -2.017  -2.017
  258   1HD1  ILE  35          1HD1      ILE  35   0.964  -1.702  -1.702
  259   2HD1  ILE  35          3HD1      ILE  35  -0.117  -1.327  -1.327
  260   3HD1  ILE  35          2HD1      ILE  35   1.479  -0.579  -0.579
  261    H    VAL  36           H        VAL  36   2.800  -6.628  -6.628
  262    HA   VAL  36           HA       VAL  36   0.985  -7.338  -7.338
  263    HB   VAL  36           HB       VAL  36   3.240  -8.505  -8.505
  264   1HG1  VAL  36          1HG1      VAL  36   3.189  -8.626  -8.626
  265   2HG1  VAL  36          3HG1      VAL  36   1.791  -9.699  -9.699
  266   3HG1  VAL  36          2HG1      VAL  36   3.352 -10.232 -10.232
  267   1HG2  VAL  36          2HG2      VAL  36   1.182  -9.432  -9.432
  268   2HG2  VAL  36          1HG2      VAL  36   2.341 -10.636 -10.636
  269   3HG2  VAL  36          3HG2      VAL  36   0.855 -10.350 -10.350
  270    H    GLY  37           H        GLY  37   0.765  -6.323  -6.323
  271   1HA   GLY  37          2HA       GLY  37  -1.297  -8.339  -8.339
  272   2HA   GLY  37          1HA       GLY  37  -0.456  -7.283  -7.283
  273    H    ASP  38           H        ASP  38  -1.497  -5.916  -5.916
  274    HA   ASP  38           HA       ASP  38  -3.725  -4.527  -4.527
  275   1HB   ASP  38          2HB       ASP  38  -2.047  -3.459  -3.459
  276   2HB   ASP  38          1HB       ASP  38  -3.080  -2.544  -2.544
  277    H    CYS  39           H        CYS  39  -2.604  -5.441  -5.441
  278    HA   CYS  39           HA       CYS  39  -5.483  -5.619  -5.619
  279   1HB   CYS  39          2HB       CYS  39  -4.310  -5.559  -5.559
  280   2HB   CYS  39          1HB       CYS  39  -4.484  -4.068  -4.068
  281    H    GLY  40           H        GLY  40  -2.325  -7.234  -7.234
  282   1HA   GLY  40          2HA       GLY  40  -1.902  -9.455  -9.455
  283   2HA   GLY  40          1HA       GLY  40  -3.080  -9.841  -9.841
  284    H    GLY  41           H        GLY  41  -3.572  -8.091  -8.091
  285   1HA   GLY  41          2HA       GLY  41  -4.805  -8.737  -8.737
  286   2HA   GLY  41          1HA       GLY  41  -4.998 -10.343 -10.343
  287    H    SER  42           H        SER  42  -5.815  -7.397  -7.397
  288    HA   SER  42           HA       SER  42  -8.702  -8.162  -8.162
  289   1HB   SER  42          2HB       SER  42  -8.932  -7.778  -7.778
  290   2HB   SER  42          1HB       SER  42  -7.327  -8.496  -8.496
  291    HG   SER  42           HG       SER  42  -8.039  -6.077  -6.077
  292    H    ALA  43           H        ALA  43  -6.359  -5.524  -5.524
  293    HA   ALA  43           HA       ALA  43  -6.552  -3.328  -3.328
  294   1HB   ALA  43          3HB       ALA  43  -8.455  -4.898  -4.898
  295   2HB   ALA  43          2HB       ALA  43  -9.331  -3.461  -3.461
  296   3HB   ALA  43          1HB       ALA  43  -7.892  -3.297  -3.297
  297    H    SER  44           H        SER  44  -6.747  -3.303  -3.303
  298    HA   SER  44           HA       SER  44  -9.121  -1.568  -1.568
  299   1HB   SER  44          2HB       SER  44  -9.232  -3.952  -3.952
  300   2HB   SER  44          1HB       SER  44  -7.853  -3.553  -3.553
  301    HG   SER  44           HG       SER  44  -9.819  -3.203  -3.203
  302    H    CYS  45           H        CYS  45  -5.877  -1.453  -1.453
  303    HA   CYS  45           HA       CYS  45  -5.414   0.236   0.236
  304   1HB   CYS  45          2HB       CYS  45  -2.954  -0.404  -0.404
  305   2HB   CYS  45          1HB       CYS  45  -3.527  -0.922  -0.922
  306    H    ALA  46           H        ALA  46  -3.964   2.068   2.068
  307    HA   ALA  46           HA       ALA  46  -4.330   3.497   3.497
  308   1HB   ALA  46          2HB       ALA  46  -5.333   4.252   4.252
  309   2HB   ALA  46          1HB       ALA  46  -3.680   4.724   4.724
  310   3HB   ALA  46          3HB       ALA  46  -4.501   5.462   5.462
  311    H    THR  47           H        THR  47  -1.984   2.334   2.334
  312    HA   THR  47           HA       THR  47   0.212   4.041   4.041
  313    HB   THR  47           HB       THR  47   0.261   2.897   2.897
  314    HG1  THR  47          1HG       THR  47   1.994   1.528   1.528
  315   1HG2  THR  47          1HG2      THR  47  -0.400   0.491   0.491
  316   2HG2  THR  47          3HG2      THR  47   0.381   0.289   0.289
  317   3HG2  THR  47          2HG2      THR  47  -1.191   1.078   1.078
  318    H    CYS  48           H        CYS  48  -1.319   1.393   1.393
  319    HA   CYS  48           HA       CYS  48   1.104   0.806   0.806
  320   1HB   CYS  48          2HB       CYS  48  -1.411  -0.526  -0.526
  321   2HB   CYS  48          1HB       CYS  48   0.145  -1.205  -1.205
  322    H    HIS  49           H        HIS  49  -0.847   3.292   3.292
  323    HA   HIS  49           HA       HIS  49  -2.249   3.545   3.545
  324   1HB   HIS  49          2HB       HIS  49  -1.846   5.223   5.223
  325   2HB   HIS  49          1HB       HIS  49  -0.316   5.602   5.602
  326    HD1  HIS  49          1HD       HIS  49  -2.866   7.550   7.550
  327    HD2  HIS  49          2HD       HIS  49  -1.719   5.513   5.513
  328    HE1  HIS  49          1HE       HIS  49  -3.819   8.842   8.842
  329    H    VAL  50           H        VAL  50  -1.575   3.689   3.689
  330    HA   VAL  50           HA       VAL  50   1.338   3.954   3.954
  331    HB   VAL  50           HB       VAL  50   1.095   1.986   1.986
  332   1HG1  VAL  50          1HG1      VAL  50   1.619   2.081   2.081
  333   2HG1  VAL  50          3HG1      VAL  50   0.456   0.766   0.766
  334   3HG1  VAL  50          2HG1      VAL  50   1.960   0.725   0.725
  335   1HG2  VAL  50          2HG2      VAL  50  -1.450   2.214   2.214
  336   2HG2  VAL  50          1HG2      VAL  50  -0.811   0.574   0.574
  337   3HG2  VAL  50          3HG2      VAL  50  -1.397   1.409   1.409
  338    H    TYR  51           H        TYR  51   1.755   4.505   4.505
  339    HA   TYR  51           HA       TYR  51  -0.600   5.618   5.618
  340   1HB   TYR  51          2HB       TYR  51   2.169   6.595   6.595
  341   2HB   TYR  51          1HB       TYR  51   1.325   7.225   7.225
  342    HD1  TYR  51          2HD       TYR  51  -1.326   6.479   6.479
  343    HD2  TYR  51          1HD       TYR  51   2.001   9.225   9.225
  344    HE1  TYR  51          2HE       TYR  51  -2.603   8.110   8.110
  345    HE2  TYR  51          1HE       TYR  51   0.693  10.857  10.857
  346    HH   TYR  51           HH       TYR  51  -1.419  10.460  10.460
  347    H    VAL  52           H        VAL  52  -0.900   4.575   4.575
  348    HA   VAL  52           HA       VAL  52   1.337   2.973   2.973
  349    HB   VAL  52           HB       VAL  52  -1.612   3.094   3.094
  350   1HG1  VAL  52          1HG1      VAL  52   0.343   2.035   2.035
  351   2HG1  VAL  52          3HG1      VAL  52   0.059   0.667   0.667
  352   3HG1  VAL  52          2HG1      VAL  52  -1.266   1.318   1.318
  353   1HG2  VAL  52          2HG2      VAL  52  -0.249   2.029   2.029
  354   2HG2  VAL  52          1HG2      VAL  52  -1.968   1.960   1.960
  355   3HG2  VAL  52          3HG2      VAL  52  -0.886   0.691   0.691
  356    H    ASN  53           H        ASN  53   1.950   3.288   3.288
  357    HA   ASN  53           HA       ASN  53   1.624   6.036   6.036
  358   1HB   ASN  53          2HB       ASN  53   2.886   5.139   5.139
  359   2HB   ASN  53          1HB       ASN  53   3.689   4.832   4.832
  360   1HD2  ASN  53          2HD2      ASN  53   1.905   1.374   1.374
  361   2HD2  ASN  53          1HD2      ASN  53   1.086   2.695   2.695
  362    H    GLU  54           H        GLU  54  -0.062   6.773   6.773
  363    HA   GLU  54           HA       GLU  54  -2.469   5.690   5.690
  364   1HB   GLU  54          2HB       GLU  54  -2.660   7.316   7.316
  365   2HB   GLU  54          1HB       GLU  54  -1.566   7.982   7.982
  366   1HG   GLU  54          2HG       GLU  54  -0.605   6.455   6.455
  367   2HG   GLU  54          1HG       GLU  54  -0.768   8.211   8.211
  368    H    ALA  55           H        ALA  55   0.446   4.866   4.866
  369    HA   ALA  55           HA       ALA  55  -0.814   3.634   3.634
  370   1HB   ALA  55          3HB       ALA  55   1.692   4.249   4.249
  371   2HB   ALA  55          2HB       ALA  55   1.720   2.538   2.538
  372   3HB   ALA  55          1HB       ALA  55   1.357   3.031   3.031
  373    H    PHE  56           H        PHE  56  -0.612   2.567   2.567
  374    HA   PHE  56           HA       PHE  56  -1.581  -0.145  -0.145
  375   1HB   PHE  56          2HB       PHE  56   0.262   0.739   0.739
  376   2HB   PHE  56          1HB       PHE  56  -0.406  -0.888  -0.888
  377    HD1  PHE  56          1HD       PHE  56   1.621   1.618   1.618
  378    HD2  PHE  56          2HD       PHE  56   0.532  -2.557  -2.557
  379    HE1  PHE  56          1HE       PHE  56   3.319   1.061   1.061
  380    HE2  PHE  56          2HE       PHE  56   2.224  -3.066  -3.066
  381    HZ   PHE  56           HZ       PHE  56   3.620  -1.281  -1.281
  382    H    THR  57           H        THR  57  -2.285   2.712   2.712
  383    HA   THR  57           HA       THR  57  -4.025   1.552   1.552
  384    HB   THR  57           HB       THR  57  -4.267   3.778   3.778
  385    HG1  THR  57          1HG       THR  57  -5.146   4.965   4.965
  386   1HG2  THR  57          3HG2      THR  57  -1.792   3.106   3.106
  387   2HG2  THR  57          2HG2      THR  57  -1.861   4.213   4.213
  388   3HG2  THR  57          1HG2      THR  57  -2.149   4.812   4.812
  389    H    ASP  58           H        ASP  58  -4.328   2.945   2.945
  390    HA   ASP  58           HA       ASP  58  -7.236   3.019   3.019
  391   1HB   ASP  58          2HB       ASP  58  -6.872   3.764   3.764
  392   2HB   ASP  58          1HB       ASP  58  -5.478   4.358   4.358
  393    H    LYS  59           H        LYS  59  -4.861   0.569   0.569
  394    HA   LYS  59           HA       LYS  59  -6.388  -1.216  -1.216
  395   1HB   LYS  59          2HB       LYS  59  -4.239  -1.970  -1.970
  396   2HB   LYS  59          1HB       LYS  59  -4.543  -2.659  -2.659
  397   1HG   LYS  59          2HG       LYS  59  -3.980  -0.286  -0.286
  398   2HG   LYS  59          1HG       LYS  59  -3.246  -0.024  -0.024
  399   1HD   LYS  59          2HD       LYS  59  -1.398  -0.958  -0.958
  400   2HD   LYS  59          1HD       LYS  59  -2.233  -2.482  -2.482
  401   1HE   LYS  59          2HE       LYS  59  -2.501  -2.852  -2.852
  402   2HE   LYS  59          1HE       LYS  59  -3.155  -1.221  -1.221
  403   1HZ   LYS  59          3HZ       LYS  59  -0.803  -0.419  -0.419
  404   2HZ   LYS  59          2HZ       LYS  59  -0.309  -2.037  -2.037
  405   3HZ   LYS  59          1HZ       LYS  59  -1.098  -1.262  -1.262
  406    H    VAL  60           H        VAL  60  -5.285  -1.285  -1.285
  407    HA   VAL  60           HA       VAL  60  -6.938  -3.472  -3.472
  408    HB   VAL  60           HB       VAL  60  -4.550  -2.330  -2.330
  409   1HG1  VAL  60          3HG1      VAL  60  -5.628  -0.356  -0.356
  410   2HG1  VAL  60          2HG1      VAL  60  -6.245  -1.382  -1.382
  411   3HG1  VAL  60          1HG1      VAL  60  -4.505  -1.171  -1.171
  412   1HG2  VAL  60          3HG2      VAL  60  -6.200  -3.935  -3.935
  413   2HG2  VAL  60          2HG2      VAL  60  -5.146  -4.537  -4.537
  414   3HG2  VAL  60          1HG2      VAL  60  -4.455  -3.703  -3.703
  415    HA   PRO  61           HA       PRO  61 -10.528  -1.178  -1.178
  416   1HB   PRO  61          2HB       PRO  61 -11.373  -2.687  -2.687
  417   2HB   PRO  61          1HB       PRO  61 -11.598  -3.149  -3.149
  418   1HG   PRO  61          2HG       PRO  61  -9.486  -4.015  -4.015
  419   2HG   PRO  61          1HG       PRO  61 -10.411  -4.989  -4.989
  420   1HD   PRO  61          2HD       PRO  61  -7.898  -4.231  -4.231
  421   2HD   PRO  61          1HD       PRO  61  -9.130  -4.294  -4.294
  422    H    ALA  62           H        ALA  62 -11.399   0.083   0.083
  423    HA   ALA  62           HA       ALA  62  -9.372   1.418   1.418
  424   1HB   ALA  62          3HB       ALA  62 -11.763   1.967   1.967
  425   2HB   ALA  62          2HB       ALA  62 -12.165   2.144   2.144
  426   3HB   ALA  62          1HB       ALA  62 -10.855   3.095   3.095
  427    H    ALA  63           H        ALA  63 -10.529   2.179   2.179
  428    HA   ALA  63           HA       ALA  63 -10.784  -0.316  -0.316
  429   1HB   ALA  63          2HB       ALA  63  -9.334   2.052   2.052
  430   2HB   ALA  63          1HB       ALA  63 -10.619   2.254   2.254
  431   3HB   ALA  63          3HB       ALA  63  -9.538   0.864   0.864
  432    H    ASN  64           H        ASN  64 -12.461  -0.380  -0.380
  433    HA   ASN  64           HA       ASN  64 -14.948   1.010   1.010
  434   1HB   ASN  64          2HB       ASN  64 -15.971  -0.761  -0.761
  435   2HB   ASN  64          1HB       ASN  64 -15.066  -1.392  -1.392
  436   1HD2  ASN  64          1HD2      ASN  64 -15.137  -3.296  -3.296
  437   2HD2  ASN  64          2HD2      ASN  64 -13.766  -3.363  -3.363
  438    H    GLU  65           H        GLU  65 -16.470   1.139   1.139
  439    HA   GLU  65           HA       GLU  65 -15.786   3.426   3.426
  440   1HB   GLU  65          2HB       GLU  65 -17.614   2.803   2.803
  441   2HB   GLU  65          1HB       GLU  65 -17.961   2.062   2.062
  442   1HG   GLU  65          2HG       GLU  65 -17.082  -0.080  -0.080
  443   2HG   GLU  65          1HG       GLU  65 -16.608   0.643   0.643
  444    H    ARG  66           H        ARG  66 -14.632   0.153   0.153
  445    HA   ARG  66           HA       ARG  66 -13.730   0.407   0.407
  446   1HB   ARG  66          2HB       ARG  66 -13.635  -1.449  -1.449
  447   2HB   ARG  66          1HB       ARG  66 -11.982  -1.217  -1.217
  448   1HG   ARG  66          2HG       ARG  66 -12.621  -1.755  -1.755
  449   2HG   ARG  66          1HG       ARG  66 -14.327  -1.839  -1.839
  450   1HD   ARG  66          2HD       ARG  66 -12.141  -3.650  -3.650
  451   2HD   ARG  66          1HD       ARG  66 -13.344  -4.113  -4.113
  452    HE   ARG  66           HE       ARG  66 -14.692  -2.975  -2.975
  453   1HH1  ARG  66          1HH2      ARG  66 -12.670  -4.826  -4.826
  454   2HH1  ARG  66          2HH2      ARG  66 -13.568  -6.305  -6.305
  455   1HH2  ARG  66          1HH1      ARG  66 -15.976  -5.289  -5.289
  456   2HH2  ARG  66          2HH1      ARG  66 -15.440  -6.566  -6.566
  457    H    GLU  67           H        GLU  67 -11.838   0.586   0.586
  458    HA   GLU  67           HA       GLU  67  -9.490   1.671   1.671
  459   1HB   GLU  67          2HB       GLU  67  -9.324   0.509   0.509
  460   2HB   GLU  67          1HB       GLU  67 -10.588   1.491   1.491
  461   1HG   GLU  67          2HG       GLU  67  -9.164   3.236   3.236
  462   2HG   GLU  67          1HG       GLU  67  -8.224   2.957   2.957
  463    H    ILE  68           H        ILE  68 -12.310   3.286   3.286
  464    HA   ILE  68           HA       ILE  68 -11.311   5.815   5.815
  465    HB   ILE  68           HB       ILE  68 -13.873   4.636   4.636
  466   1HG1  ILE  68          2HG1      ILE  68 -14.725   5.627   5.627
  467   2HG1  ILE  68          1HG1      ILE  68 -13.346   6.718   6.718
  468   1HG2  ILE  68          3HG2      ILE  68 -13.574   6.659   6.659
  469   2HG2  ILE  68          2HG2      ILE  68 -13.488   7.642   7.642
  470   3HG2  ILE  68          1HG2      ILE  68 -14.965   6.756   6.756
  471   1HD1  ILE  68          2HD1      ILE  68 -12.738   3.806   3.806
  472   2HD1  ILE  68          1HD1      ILE  68 -13.493   4.421   4.421
  473   3HD1  ILE  68          3HD1      ILE  68 -11.960   5.095   5.095
  474    H    GLY  69           H        GLY  69 -11.979   4.353   4.353
  475   1HA   GLY  69          2HA       GLY  69 -11.105   6.838   6.838
  476   2HA   GLY  69          1HA       GLY  69 -11.713   5.398   5.398
  477    H    MET  70           H        MET  70 -10.124   3.383   3.383
  478    HA   MET  70           HA       MET  70  -7.725   3.583   3.583
  479   1HB   MET  70          2HB       MET  70  -6.962   1.781   1.781
  480   2HB   MET  70          1HB       MET  70  -8.389   1.409   1.409
  481   1HG   MET  70          2HG       MET  70  -9.522   2.689   2.689
  482   2HG   MET  70          1HG       MET  70  -8.091   2.003   2.003
  483   1HE   MET  70          3HE       MET  70  -7.697   0.284   0.284
  484   2HE   MET  70          2HE       MET  70  -7.507  -0.890  -0.890
  485   3HE   MET  70          1HE       MET  70  -8.583  -1.265  -1.265
  486    H    LEU  71           H        LEU  71  -8.293   4.097   4.097
  487    HA   LEU  71           HA       LEU  71  -5.602   4.790   4.790
  488   1HB   LEU  71          2HB       LEU  71  -7.597   3.797   3.797
  489   2HB   LEU  71          1HB       LEU  71  -8.289   5.425   5.425
  490    HG   LEU  71           HG       LEU  71  -6.095   4.312   4.312
  491   1HD1  LEU  71          2HD1      LEU  71  -8.607   5.641   5.641
  492   2HD1  LEU  71          1HD1      LEU  71  -7.376   6.688   6.688
  493   3HD1  LEU  71          3HD1      LEU  71  -7.560   5.031   5.031
  494   1HD2  LEU  71          1HD2      LEU  71  -4.937   6.045   6.045
  495   2HD2  LEU  71          3HD2      LEU  71  -4.940   6.429   6.429
  496   3HD2  LEU  71          2HD2      LEU  71  -6.069   7.240   7.240
  497    H    GLU  72           H        GLU  72  -8.427   6.587   6.587
  498    HA   GLU  72           HA       GLU  72  -7.163   9.216   9.216
  499   1HB   GLU  72          2HB       GLU  72  -9.484   9.143   9.143
  500   2HB   GLU  72          1HB       GLU  72  -9.808   8.180   8.180
  501   1HG   GLU  72          2HG       GLU  72  -9.887   9.994   9.994
  502   2HG   GLU  72          1HG       GLU  72  -8.567  10.815  10.815
  503    H    CYS  73           H        CYS  73  -7.229   6.873   6.873
  504    HA   CYS  73           HA       CYS  73  -7.378   8.334   8.334
  505   1HB   CYS  73          2HB       CYS  73  -6.330   5.843   5.843
  506   2HB   CYS  73          1HB       CYS  73  -5.139   6.555   6.555
  507    HG   CYS  73           HG       CYS  73  -7.066   5.140   5.140
  508    H    VAL  74           H        VAL  74  -4.449   7.851   7.851
  509    HA   VAL  74           HA       VAL  74  -3.064   9.994   9.994
  510    HB   VAL  74           HB       VAL  74  -1.137   9.245   9.245
  511   1HG1  VAL  74          1HG1      VAL  74  -2.808   7.471   7.471
  512   2HG1  VAL  74          3HG1      VAL  74  -1.877   6.563   6.563
  513   3HG1  VAL  74          2HG1      VAL  74  -1.049   7.604   7.604
  514   1HG2  VAL  74          1HG2      VAL  74  -3.291   8.193   8.193
  515   2HG2  VAL  74          3HG2      VAL  74  -1.655   8.692   8.692
  516   3HG2  VAL  74          2HG2      VAL  74  -1.941   7.082   7.082
  517    H    THR  75           H        THR  75  -4.151  11.904  11.904
  518    HA   THR  75           HA       THR  75  -5.166  12.627  12.627
  519    HB   THR  75           HB       THR  75  -5.240  13.928  13.928
  520    HG1  THR  75          1HG       THR  75  -5.180  15.882  15.882
  521   1HG2  THR  75          3HG2      THR  75  -2.439  13.624  13.624
  522   2HG2  THR  75          2HG2      THR  75  -2.749  15.349  15.349
  523   3HG2  THR  75          1HG2      THR  75  -3.350  14.508  14.508
  524    H    ALA  76           H        ALA  76  -3.959  11.913  11.913
  525    HA   ALA  76           HA       ALA  76  -1.306  13.253  13.253
  526   1HB   ALA  76          1HB       ALA  76  -1.537  10.663  10.663
  527   2HB   ALA  76          3HB       ALA  76  -2.083  10.614  10.614
  528   3HB   ALA  76          2HB       ALA  76  -0.473  11.217  11.217
  529    H    GLU  77           H        GLU  77  -3.717  14.468  14.468
  530    HA   GLU  77           HA       GLU  77  -4.974  15.119  15.119
  531   1HB   GLU  77          2HB       GLU  77  -3.408  15.912  15.912
  532   2HB   GLU  77          1HB       GLU  77  -2.810  16.313  16.313
  533   1HG   GLU  77          2HG       GLU  77  -1.236  14.507  14.507
  534   2HG   GLU  77          1HG       GLU  77  -1.968  13.815  13.815
  535    H    LEU  78           H        LEU  78  -5.559  12.639  12.639
  536    HA   LEU  78           HA       LEU  78  -4.977  10.479  10.479
  537   1HB   LEU  78          2HB       LEU  78  -7.002  10.878  10.878
  538   2HB   LEU  78          1HB       LEU  78  -7.644  11.895  11.895
  539    HG   LEU  78           HG       LEU  78  -7.853  10.053  10.053
  540   1HD1  LEU  78          3HD1      LEU  78  -5.634   9.041   9.041
  541   2HD1  LEU  78          2HD1      LEU  78  -6.308   8.390   8.390
  542   3HD1  LEU  78          1HD1      LEU  78  -6.918   7.839   7.839
  543   1HD2  LEU  78          1HD2      LEU  78  -9.505  10.130  10.130
  544   2HD2  LEU  78          3HD2      LEU  78  -9.284   8.518   8.518
  545   3HD2  LEU  78          2HD2      LEU  78  -8.511   8.945   8.945
  546    H    LYS  79           H        LYS  79  -4.587   9.939   9.939
  547    HA   LYS  79           HA       LYS  79  -5.108  11.971  11.971
  548   1HB   LYS  79          2HB       LYS  79  -3.595   9.369   9.369
  549   2HB   LYS  79          1HB       LYS  79  -3.355  10.865  10.865
  550   1HG   LYS  79          2HG       LYS  79  -2.685  11.944  11.944
  551   2HG   LYS  79          1HG       LYS  79  -2.631  10.321  10.321
  552   1HD   LYS  79          2HD       LYS  79  -0.580  10.041  10.041
  553   2HD   LYS  79          1HD       LYS  79  -1.243  10.250  10.250
  554   1HE   LYS  79          2HE       LYS  79  -1.196  12.793  12.793
  555   2HE   LYS  79          1HE       LYS  79  -0.004  12.297  12.297
  556   1HZ   LYS  79          1HZ       LYS  79   0.992  10.933  10.933
  557   2HZ   LYS  79          3HZ       LYS  79   0.111  11.965  11.965
  558   3HZ   LYS  79          2HZ       LYS  79   1.290  12.605  12.605
  559    HA   PRO  80           HA       PRO  80  -8.274   9.569   9.569
  560   1HB   PRO  80          2HB       PRO  80  -7.505   9.386   9.386
  561   2HB   PRO  80          1HB       PRO  80  -8.164  10.872  10.872
  562   1HG   PRO  80          2HG       PRO  80  -5.328  10.112  10.112
  563   2HG   PRO  80          1HG       PRO  80  -6.138  11.671  11.671
  564   1HD   PRO  80          2HD       PRO  80  -4.549  11.179  11.179
  565   2HD   PRO  80          1HD       PRO  80  -5.966  12.245  12.245
  566    H    ASN  81           H        ASN  81  -4.960   8.555   8.555
  567    HA   ASN  81           HA       ASN  81  -5.855   5.746   5.746
  568   1HB   ASN  81          2HB       ASN  81  -3.447   5.502   5.502
  569   2HB   ASN  81          1HB       ASN  81  -4.352   6.663   6.663
  570   1HD2  ASN  81          2HD2      ASN  81  -1.125   8.263   8.263
  571   2HD2  ASN  81          1HD2      ASN  81  -1.538   6.885   6.885
  572    H    SER  82           H        SER  82  -4.793   7.720   7.720
  573    HA   SER  82           HA       SER  82  -2.892   6.263   6.263
  574   1HB   SER  82          2HB       SER  82  -5.454   7.602   7.602
  575   2HB   SER  82          1HB       SER  82  -4.126   7.172   7.172
  576    HG   SER  82           HG       SER  82  -2.951   8.440   8.440
  577    H    ARG  83           H        ARG  83  -3.233   4.735   4.735
  578    HA   ARG  83           HA       ARG  83  -5.675   3.234   3.234
  579   1HB   ARG  83          2HB       ARG  83  -3.832   2.589   2.589
  580   2HB   ARG  83          1HB       ARG  83  -4.076   1.213   1.213
  581   1HG   ARG  83          2HG       ARG  83  -6.290   1.021   1.021
  582   2HG   ARG  83          1HG       ARG  83  -6.487   2.750   2.750
  583   1HD   ARG  83          2HD       ARG  83  -5.014   2.374   2.374
  584   2HD   ARG  83          1HD       ARG  83  -5.416   0.657   0.657
  585    HE   ARG  83           HE       ARG  83  -7.839   1.698   1.698
  586   1HH1  ARG  83          1HH2      ARG  83  -8.410   3.904   3.904
  587   2HH1  ARG  83          2HH2      ARG  83  -8.135   3.825   3.825
  588   1HH2  ARG  83          1HH1      ARG  83  -6.159   0.981   0.981
  589   2HH2  ARG  83          2HH1      ARG  83  -6.861   2.170   2.170
  590    H    LEU  84           H        LEU  84  -5.155   1.079   1.079
  591    HA   LEU  84           HA       LEU  84  -3.061   1.633   1.633
  592   1HB   LEU  84          2HB       LEU  84  -5.707   0.543   0.543
  593   2HB   LEU  84          1HB       LEU  84  -4.616  -0.753  -0.753
  594    HG   LEU  84           HG       LEU  84  -5.026   1.898   1.898
  595   1HD1  LEU  84          2HD1      LEU  84  -5.975  -0.785  -0.785
  596   2HD1  LEU  84          1HD1      LEU  84  -4.920  -0.430  -0.430
  597   3HD1  LEU  84          3HD1      LEU  84  -6.322   0.610   0.610
  598   1HD2  LEU  84          1HD2      LEU  84  -2.549   0.705   0.705
  599   2HD2  LEU  84          3HD2      LEU  84  -3.018   1.710   1.710
  600   3HD2  LEU  84          2HD2      LEU  84  -3.150  -0.050  -0.050
  601    H    SER  85           H        SER  85  -1.280   0.198   0.198
  602    HA   SER  85           HA       SER  85  -0.212  -1.331  -1.331
  603   1HB   SER  85          2HB       SER  85  -0.167  -2.102  -2.102
  604   2HB   SER  85          1HB       SER  85   1.057  -2.454  -2.454
  605    HG   SER  85           HG       SER  85   1.657  -0.367  -0.367
  606    H    CYS  86           H        CYS  86  -2.734  -2.034  -2.034
  607    HA   CYS  86           HA       CYS  86  -3.083  -4.853  -4.853
  608   1HB   CYS  86          2HB       CYS  86  -4.886  -4.620  -4.620
  609   2HB   CYS  86          1HB       CYS  86  -3.175  -4.742  -4.742
  610    H    GLN  87           H        GLN  87  -3.932  -2.786  -2.786
  611    HA   GLN  87           HA       GLN  87  -6.865  -3.346  -3.346
  612   1HB   GLN  87          2HB       GLN  87  -6.258  -0.995  -0.995
  613   2HB   GLN  87          1HB       GLN  87  -5.542  -0.874  -0.874
  614   1HG   GLN  87          2HG       GLN  87  -7.728  -0.079  -0.079
  615   2HG   GLN  87          1HG       GLN  87  -7.842  -1.768  -1.768
  616   1HE2  GLN  87          2HE2      GLN  87  -9.138  -2.018  -2.018
  617   2HE2  GLN  87          1HE2      GLN  87  -7.519  -2.127  -2.127
  618    H    ILE  88           H        ILE  88  -4.229  -2.601  -2.601
  619    HA   ILE  88           HA       ILE  88  -5.877  -3.451  -3.451
  620    HB   ILE  88           HB       ILE  88  -2.950  -3.060  -3.060
  621   1HG1  ILE  88          2HG1      ILE  88  -4.857  -0.889  -0.889
  622   2HG1  ILE  88          1HG1      ILE  88  -3.295  -1.318  -1.318
  623   1HG2  ILE  88          2HG2      ILE  88  -5.038  -3.255  -3.255
  624   2HG2  ILE  88          1HG2      ILE  88  -4.973  -1.504  -1.504
  625   3HG2  ILE  88          3HG2      ILE  88  -3.557  -2.379  -2.379
  626   1HD1  ILE  88          3HD1      ILE  88  -3.648  -0.223  -0.223
  627   2HD1  ILE  88          2HD1      ILE  88  -3.218   0.762   0.762
  628   3HD1  ILE  88          1HD1      ILE  88  -2.124  -0.503  -0.503
  629    H    ILE  89           H        ILE  89  -5.445  -5.189  -5.189
  630    HA   ILE  89           HA       ILE  89  -3.871  -7.421  -7.421
  631    HB   ILE  89           HB       ILE  89  -6.346  -7.231  -7.231
  632   1HG1  ILE  89          2HG1      ILE  89  -6.851  -7.139  -7.139
  633   2HG1  ILE  89          1HG1      ILE  89  -7.178  -8.800  -8.800
  634   1HG2  ILE  89          3HG2      ILE  89  -4.792  -8.954  -8.954
  635   2HG2  ILE  89          2HG2      ILE  89  -4.792  -9.745  -9.745
  636   3HG2  ILE  89          1HG2      ILE  89  -6.282  -9.647  -9.647
  637   1HD1  ILE  89          3HD1      ILE  89  -4.783  -9.333  -9.333
  638   2HD1  ILE  89          2HD1      ILE  89  -4.773  -7.743  -7.743
  639   3HD1  ILE  89          1HD1      ILE  89  -5.927  -8.969  -8.969
  640    H    MET  90           H        MET  90  -2.737  -8.796  -8.796
  641    HA   MET  90           HA       MET  90  -1.863  -7.095  -7.095
  642   1HB   MET  90          2HB       MET  90  -0.430  -8.170  -8.170
  643   2HB   MET  90          1HB       MET  90  -0.302  -9.467  -9.467
  644   1HG   MET  90          2HG       MET  90   1.543  -7.841  -7.841
  645   2HG   MET  90          1HG       MET  90   0.508  -7.864  -7.864
  646   1HE   MET  90          3HE       MET  90   0.598  -6.247  -6.247
  647   2HE   MET  90          2HE       MET  90  -0.854  -5.283  -5.283
  648   3HE   MET  90          1HE       MET  90   0.732  -4.523  -4.523
  649    H    THR  91           H        THR  91  -2.916  -7.716  -7.716
  650    HA   THR  91           HA       THR  91  -3.691 -10.550 -10.550
  651    HB   THR  91           HB       THR  91  -4.471  -9.223  -9.223
  652    HG1  THR  91          1HG       THR  91  -3.379  -7.328  -7.328
  653   1HG2  THR  91          1HG2      THR  91  -5.779  -9.062  -9.062
  654   2HG2  THR  91          3HG2      THR  91  -6.599  -8.771  -8.771
  655   3HG2  THR  91          2HG2      THR  91  -5.963 -10.374 -10.374
  656    HA   PRO  92           HA       PRO  92  -0.256 -11.509 -11.509
  657   1HB   PRO  92          2HB       PRO  92  -1.405 -13.185 -13.185
  658   2HB   PRO  92          1HB       PRO  92  -1.071 -13.657 -13.657
  659   1HG   PRO  92          2HG       PRO  92  -3.633 -12.787 -12.787
  660   2HG   PRO  92          1HG       PRO  92  -3.333 -14.052 -14.052
  661   1HD   PRO  92          2HD       PRO  92  -4.322 -11.605 -11.605
  662   2HD   PRO  92          1HD       PRO  92  -3.325 -12.573 -12.573
  663    H    GLU  93           H        GLU  93  -2.762  -9.570  -9.570
  664    HA   GLU  93           HA       GLU  93  -1.517  -9.216  -9.216
  665   1HB   GLU  93          2HB       GLU  93  -3.753  -8.012  -8.012
  666   2HB   GLU  93          1HB       GLU  93  -3.841  -9.756  -9.756
  667   1HG   GLU  93          2HG       GLU  93  -3.958  -8.174  -8.174
  668   2HG   GLU  93          1HG       GLU  93  -5.321  -7.915  -7.915
  669    H    LEU  94           H        LEU  94  -2.315  -7.629  -7.629
  670    HA   LEU  94           HA       LEU  94  -1.454  -4.970  -4.970
  671   1HB   LEU  94          2HB       LEU  94  -2.399  -5.748  -5.748
  672   2HB   LEU  94          1HB       LEU  94  -2.466  -4.165  -4.165
  673    HG   LEU  94           HG       LEU  94  -4.111  -6.616  -6.616
  674   1HD1  LEU  94          1HD1      LEU  94  -4.576  -3.817  -3.817
  675   2HD1  LEU  94          3HD1      LEU  94  -5.851  -4.630  -4.630
  676   3HD1  LEU  94          2HD1      LEU  94  -5.258  -5.327  -5.327
  677   1HD2  LEU  94          2HD2      LEU  94  -3.107  -5.574  -5.574
  678   2HD2  LEU  94          1HD2      LEU  94  -4.872  -5.579  -5.579
  679   3HD2  LEU  94          3HD2      LEU  94  -3.981  -4.099  -4.099
  680    H    ASP  95           H        ASP  95   0.677  -6.486  -6.486
  681    HA   ASP  95           HA       ASP  95   2.090  -6.345  -6.345
  682   1HB   ASP  95          2HB       ASP  95   2.763  -8.372  -8.372
  683   2HB   ASP  95          1HB       ASP  95   1.949  -8.130  -8.130
  684    H    GLY  96           H        GLY  96   4.135  -5.400  -5.400
  685   1HA   GLY  96          2HA       GLY  96   6.044  -4.108  -4.108
  686   2HA   GLY  96          1HA       GLY  96   5.042  -3.588  -3.588
  687    H    ILE  97           H        ILE  97   3.543  -3.723  -3.723
  688    HA   ILE  97           HA       ILE  97   2.884  -0.924  -0.924
  689    HB   ILE  97           HB       ILE  97   1.359  -2.664  -2.664
  690   1HG1  ILE  97          2HG1      ILE  97   1.506  -0.211  -0.211
  691   2HG1  ILE  97          1HG1      ILE  97   0.396  -1.387  -1.387
  692   1HG2  ILE  97          2HG2      ILE  97   3.590  -3.126  -3.126
  693   2HG2  ILE  97          1HG2      ILE  97   1.934  -3.504  -3.504
  694   3HG2  ILE  97          3HG2      ILE  97   2.655  -4.300  -4.300
  695   1HD1  ILE  97          3HD1      ILE  97   3.118  -1.465  -1.465
  696   2HD1  ILE  97          2HD1      ILE  97   2.251   0.043   0.043
  697   3HD1  ILE  97          1HD1      ILE  97   1.555  -1.490  -1.490
  698    H    VAL  98           H        VAL  98   3.508   0.752   0.752
  699    HA   VAL  98           HA       VAL  98   5.906   0.380   0.380
  700    HB   VAL  98           HB       VAL  98   4.767   2.875   2.875
  701   1HG1  VAL  98          1HG1      VAL  98   7.470   2.206   2.206
  702   2HG1  VAL  98          3HG1      VAL  98   7.100   3.704   3.704
  703   3HG1  VAL  98          2HG1      VAL  98   6.275   3.323   3.323
  704   1HG2  VAL  98          1HG2      VAL  98   5.775   0.714   0.714
  705   2HG2  VAL  98          3HG2      VAL  98   5.842   2.380   2.380
  706   3HG2  VAL  98          2HG2      VAL  98   7.227   1.679   1.679
  707    H    VAL  99           H        VAL  99   5.537   0.726   0.726
  708    HA   VAL  99           HA       VAL  99   2.908   1.935   1.935
  709    HB   VAL  99           HB       VAL  99   4.861   0.721   0.721
  710   1HG1  VAL  99          1HG1      VAL  99   1.948   1.200   1.200
  711   2HG1  VAL  99          3HG1      VAL  99   2.430  -0.299  -0.299
  712   3HG1  VAL  99          2HG1      VAL  99   3.022   1.255   1.255
  713   1HG2  VAL  99          3HG2      VAL  99   3.760  -0.645  -0.645
  714   2HG2  VAL  99          2HG2      VAL  99   4.969  -1.176  -1.176
  715   3HG2  VAL  99          1HG2      VAL  99   3.258  -1.384  -1.384
  716    H    ASP 100           H        ASP 100   3.311   2.949   2.949
  717    HA   ASP 100           HA       ASP 100   5.837   4.330   4.330
  718   1HB   ASP 100          2HB       ASP 100   3.348   5.814   5.814
  719   2HB   ASP 100          1HB       ASP 100   4.732   6.620   6.620
  720    H    VAL 101           H        VAL 101   6.110   4.944   4.944
  721    HA   VAL 101           HA       VAL 101   3.781   4.441   4.441
  722    HB   VAL 101           HB       VAL 101   6.774   4.662   4.662
  723   1HG1  VAL 101          1HG1      VAL 101   5.355   5.751   5.751
  724   2HG1  VAL 101          3HG1      VAL 101   4.804   4.113   4.113
  725   3HG1  VAL 101          2HG1      VAL 101   6.516   4.514   4.514
  726   1HG2  VAL 101          3HG2      VAL 101   5.533   2.533   2.533
  727   2HG2  VAL 101          2HG2      VAL 101   6.655   2.349   2.349
  728   3HG2  VAL 101          1HG2      VAL 101   4.917   2.412   2.412
  729    HA   PRO 102           HA       PRO 102   3.351   8.915   8.915
  730   1HB   PRO 102          2HB       PRO 102   0.992   8.944   8.944
  731   2HB   PRO 102          1HB       PRO 102   1.098   8.524   8.524
  732   1HG   PRO 102          2HG       PRO 102   0.931   6.723   6.723
  733   2HG   PRO 102          1HG       PRO 102   0.088   6.623   6.623
  734   1HD   PRO 102          2HD       PRO 102   2.241   5.111   5.111
  735   2HD   PRO 102          1HD       PRO 102   1.905   5.719   5.719
  736    H    ASP 103           H        ASP 103   4.842   9.855   9.855
  737    HA   ASP 103           HA       ASP 103   4.310   9.458   9.458
  738   1HB   ASP 103          2HB       ASP 103   6.603   9.249   9.249
  739   2HB   ASP 103          1HB       ASP 103   6.819  10.732  10.732
  740    H    ARG 104           H        ARG 104   3.053  11.193  11.193
  741    HA   ARG 104           HA       ARG 104   3.775  13.905  13.905
  742   1HB   ARG 104          2HB       ARG 104   1.266  13.654  13.654
  743   2HB   ARG 104          1HB       ARG 104   1.558  14.403  14.403
  744   1HG   ARG 104          2HG       ARG 104   0.411  12.668  12.668
  745   2HG   ARG 104          1HG       ARG 104   1.844  11.700  11.700
  746   1HD   ARG 104          2HD       ARG 104  -0.639  11.955  11.955
  747   2HD   ARG 104          1HD       ARG 104   0.139  10.481  10.481
  748    HE   ARG 104           HE       ARG 104   1.903  12.052  12.052
  749   1HH1  ARG 104          1HH2      ARG 104   1.790   9.031   9.031
  750   2HH1  ARG 104          2HH2      ARG 104   1.133   8.597   8.597
  751   1HH2  ARG 104          1HH1      ARG 104   0.010  11.800  11.800
  752   2HH2  ARG 104          2HH1      ARG 104   0.125  10.165  10.165
  753    H    GLN 105           H        GLN 105   5.523  14.150  14.150
  754    HA   GLN 105           HA       GLN 105   4.660  14.310  14.310
  755   1HB   GLN 105          2HB       GLN 105   6.614  12.852  12.852
  756   2HB   GLN 105          1HB       GLN 105   7.488  14.380  14.380
  757   1HG   GLN 105          2HG       GLN 105   7.782  14.503  14.503
  758   2HG   GLN 105          1HG       GLN 105   6.111  14.041  14.041
  759   1HE2  GLN 105          2HE2      GLN 105   7.221  10.886  10.886
  760   2HE2  GLN 105          1HE2      GLN 105   6.250  12.249  12.249
  761    H    TRP 106           H        TRP 106   4.529  16.353  16.353
  762    HA   TRP 106           HA       TRP 106   5.835  18.614  18.614
  763   1HB   TRP 106          2HB       TRP 106   6.969  18.159  18.159
  764   2HB   TRP 106          1HB       TRP 106   5.435  18.078  18.078
  765    HD1  TRP 106           HD       TRP 106   5.228  20.156  20.156
  766    HE1  TRP 106          1HE       TRP 106   5.630  22.681  22.681
  767    HE3  TRP 106          3HE       TRP 106   7.135  20.136  20.136
  768    HZ2  TRP 106          2HZ       TRP 106   6.629  24.459  24.459
  769    HZ3  TRP 106          3HZ       TRP 106   7.803  22.256  22.256
  770    HH2  TRP 106           HH       TRP 106   7.552  24.415  24.415