*HEADER   GLYCOPROTEIN                            26-JAN-96   1TLE    
*TITLE    LE (LAMININ-TYPE EGF-LIKE) MODULE GIII4 IN SOLUTION AT      
*TITLE   2 PH 3.5 AND 290 K, NMR, 14 STRUCTURES                       
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: LAMININ;                                         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: NIDOGEN BINDING LE MODULE OF THE LAMININ GAMMA1  
*COMPND  5 CHAIN, MODULE GIII4;                                       
*COMPND  6 SYNONYM: LAMININ-TYPE EGF-LIKE;                            
*COMPND  7 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                         
*SOURCE  3 ORGANISM_COMMON: MOUSE;                                    
*SOURCE  4 TISSUE: BASEMENT MEMBRANE;                                 
*SOURCE  5 EXPRESSION_SYSTEM: EUKARYOTIC;                             
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PCEP4;                          
*SOURCE  7 EXPRESSION_SYSTEM_GENE: LAMC1                              
*KEYWDS   GLYCOPROTEIN, EXTRACELLULAR MATRIX PROTEIN, NIDOGEN BINDING,
*KEYWDS  2 LE-MODULE                                                  
*EXPDTA   NMR, 14 STRUCTURES                                          
*AUTHOR   R.BAUMGARTNER,M.CZISCH,U.MAYER,E.P.SCHL,R.HUBER,R.TIMPL,    
*AUTHOR  2 T.A.HOLAK                                                  
*REVDAT  1   12-FEB-97 1TLE    0                                      

!REMARK  r. baumgartner et al., LE ( laminin egf-like ) module, restraint file
         ( X-Plor format )

!set echo=false end
!set wrnlev=5 end

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assign (resid 4  and name HN) (resid 5  and name HN)  4.6 0.7 0.4
assign (resid 5  and name HN) (resid 6  and name HN)  4.6 0.7 0.4
assign (resid 6  and name HN) (resid 7  and name HN)  4.6 0.7 0.4
assign (resid 7  and name HN) (resid 8  and name HN)  4.6 0.7 0.4
assign (resid 8  and name HN) (resid 9  and name HN)  3.7 0.5 0.5
assign (resid 9  and name HN) (resid 10 and name HN)  4.6 0.7 0.4
!assign (resid 10 and name HN) (resid 11 and name HN)  Prolin 11 
!assign (resid 11 and name HN) (resid 12 and name HN)  Prolin 11
assign (resid 12 and name HN) (resid 13 and name HN)  3.4 0.5 0.5
assign (resid 13 and name HN) (resid 14 and name HN)  4.6 0.7 0.4
assign (resid 14 and name HN) (resid 15 and name HN)  4.6 0.7 0.4
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!assign (resid 52 and name HN) (resid 53 and name HN)  Prolin 52
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assign (resid 54 and name HN) (resid 55 and name HN)  2.5 0.4 0.4
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assign (resid 56 and name HN) (resid 57 and name HN)  2.8 0.5 2.0
assign (resid 57 and name HN) (resid 58 and name HN)  4.2 0.6 0.8


assign (resid 1  and name HA) (resid 2 and name HD1)  2.5 0.4 0.4
assign (resid 1  and name HA) (resid 2 and name HD2)  2.5 0.4 0.4
! 2 -> 3
! 3 -> 4
! 4 -> 5
! 5 -> 6
! 6 -> 7
! 7 -> 8
assign (resid 8  and name HA) (resid 9 and name  HN)  2.5 0.4 0.4
assign (resid 9  and name HA) (resid 10 and name HN)  2.5 0.4 0.4
assign (resid 10 and name HA) (resid 11 and name HD1) 2.5 0.4 0.4
assign (resid 10 and name HA) (resid 11 and name HD2) 2.5 0.4 0.4
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assign (resid 22 and name HA#) (resid 23 and name HN)  3.7 0.6 1.8
! 23 -> 24
assign (resid 24 and name HA) (resid 25 and name HN)  2.5 0.4 0.4
! 25 -> 26
assign (resid 26 and name HA) (resid 27 and name HN)  3.5 0.8 0.8
assign (resid 27 and name HA) (resid 28 and name HN)  2.5 0.4 0.4
assign (resid 28 and name HA) (resid 29 and name HN)  2.9 0.5 0.5
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assign (resid 42 and name HA#) (resid 43 and name HN) 3.4 0.5 1.5
assign (resid 43 and name HA) (resid 44 and name HN)  2.5 0.4 0.4
assign (resid 44 and name HA) (resid 45 and name HN)  2.5 0.4 0.4
assign (resid 45 and name HA1) (resid 46 and name HN) 2.5 0.4 0.4
assign (resid 45 and name HA2) (resid 46 and name HN) 2.5 0.4 0.4
assign (resid 46 and name HA) (resid 47 and name HD1) 2.5 0.4 0.4
assign (resid 46 and name HA) (resid 47 and name HD2) 2.5 0.4 0.4
assign (resid 47 and name HA) (resid 48 and name HN)  3.4 0.5 0.5
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assign (resid 49 and name HA) (resid 50 and name HD1) 2.5 0.4 0.4
assign (resid 49 and name HA) (resid 50 and name HD2) 2.5 0.4 0.4
!50 -> 51 ( Prolin )
assign (resid 51 and name HA) (resid 52 and name HD1) 2.5 0.4 0.4
assign (resid 51 and name HA) (resid 52 and name HD2) 2.5 0.4 0.4
assign (resid 52 and name HA) (resid 53 and name HN)  4.2 0.6 0.8
assign (resid 53 and name HA) (resid 54 and name HN)  3.4 0.5 0.5
assign (resid 54 and name HA) (resid 55 and name HN)  3.4 0.5 0.5
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assign (resid 56 and name HA) (resid 57 and name HN)  2.5 0.4 0.4
assign (resid 57 and name HA) (resid 58 and name HN)  2.5 0.4 0.4


assign (resid 9  and name HB)  (resid 10 and name HN)  2.5 0.4 0.4
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assign (resid 14 and name HB)  (resid 15 and name HN)  4.2 0.6 0.8 
assign (resid 18 and name HB1) (resid 19 and name HN)  4.2 0.6 0.8
assign (resid 18 and name HB2) (resid 19 and name HN)  4.2 0.6 0.8
assign (resid 20 and name HB1) (resid 21 and name HN)  4.2 0.6 0.8
assign (resid 20 and name HB2) (resid 21 and name HN)  4.2 0.6 0.8
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assign (resid 31 and name HB)  (resid 32 and name HN)  2.5 0.4 0.4
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assign (resid 34 and name HB2) (resid 35 and name HN)  4.2 0.6 0.8
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assign (resid 55 and name HB2) (resid 56 and name HN)  2.5 0.4 1.6

assign (resid  9 and name HD#)  (resid 10 and name HN)  4.2 0.6 1.8
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assign (resid 28 and name HD#)  (resid 29 and name HN)  2.5 0.4 1.4
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assign (resid 50 and name HD#)  (resid 51 and name HN)  3.4 0.5 1.5
assign (resid 52 and name HG#)  (resid 53 and name HN)  4.2 0.6 1.8

assign (resid 13 and name HB#) (resid 14 and name HA)   4.2 0.6 1.8
assign (resid 14 and name HG*) (resid 13 and name HA)   4.2 0.6 1.8
assign (resid 14 and name HG*) (resid 15 and name HA#)  4.2 0.3 5.8 
assign (resid 47 and name HB#) (resid 46 and name HA)   4.2 0.6 1.8
assign (resid 47 and name HG#) (resid 46 and name HA)   4.2 0.6 1.8
assign (resid 52 and name HG#) (resid 51 and name HA)   4.2 0.6 1.8
assign (resid 52 and name HB#) (resid 51 and name HA)   4.2 0.6 1.8
assign (resid 58 and name HB#) (resid 57 and name HA)   4.2 0.6 1.8

assign (resid  1 and name HG#)  (resid  2 and name HD#)  3.4 0.5 4.5
assign (resid 28 and name HG2#) (resid 29 and name HD#)  3.4 0.5 4.5
assign (resid 28 and name HG2#) (resid 29 and name HE#)  2.5 0.4 4.4
assign (resid 28 and name HD#)  (resid 29 and name HD#)  4.2 0.6 4.8
assign (resid 28 and name HD#)  (resid 29 and name HE#)  4.2 0.6 4.8
assign (resid 35 and name HD#)  (resid 34 and name HD#)  4.2 0.6 4.8
assign (resid 35 and name HE#)  (resid 34 and name HD#)  3.4 0.5 4.5
assign (resid 20 and name HB#)  (resid 21 and name HG#)  3.4 0.5 2.5
assign (resid 50 and name HD1)  (resid 49 and name HB#)  3.4 0.5 2.6
assign (resid 50 and name HD2)  (resid 49 and name HB#)  3.4 0.5 2.6 


assign (resid 44 and name HD#) (resid 44 and name HN)   2.5 0.4 2.4
assign (resid 44 and name HD#) (resid 44 and name HA)   3.4 0.5 2.5
assign (resid 44 and name HD#) (resid 44 and name HB1)  2.5 0.4 2.4
assign (resid 44 and name HD#) (resid 44 and name HB2)  2.5 0.4 2.4
assign (resid 43 and name HD#) (resid 43 and name HB1)  2.5 0.4 2.4
assign (resid 43 and name HD#) (resid 43 and name HB2)  2.5 0.4 2.4
assign (resid 43 and name HE#) (resid 43 and name HB1)  4.2 0.6 2.8
assign (resid 43 and name HE#) (resid 43 and name HB2)  4.2 0.6 2.8
assign (resid 29 and name HD#) (resid 29 and name HA)   2.5 0.4 2.4
assign (resid 29 and name HD#) (resid 29 and name HN)   2.5 0.4 2.4
assign (resid 29 and name HD#) (resid 29 and name HB1)  2.5 0.4 2.4
assign (resid 29 and name HD#) (resid 29 and name HB2)  2.5 0.4 2.4
assign (resid 29 and name HE#) (resid 29 and name HN)   4.2 0.6 2.8
assign (resid 29 and name HE#) (resid 29 and name HB2)  4.2 0.6 2.8
assign (resid 29 and name HD#) (resid 29 and name HE#)  2.5 0.4 4.4
assign (resid 35 and name HB1) (resid 35 and name HD#)  2.5 0.4 0.4
assign (resid 35 and name HB2) (resid 35 and name HD#)  2.5 0.4 0.4
assign (resid 35 and name HD#) (resid 35 and name HN)   2.5 0.4 2.4
assign (resid 35 and name HD#) (resid 35 and name HE#)  2.5 0.4 4.4
assign (resid 34 and name HD#) (resid 34 and name HN)   2.5 0.4 2.4
assign (resid 34 and name HD#) (resid 34 and name HA)   3.4 0.5 2.5
assign (resid 34 and name HD#) (resid 34 and name HB1)  2.5 0.4 2.4
assign (resid 34 and name HD#) (resid 34 and name HB2)  2.5 0.4 2.4
assign (resid 18 and name HB1) (resid 18 and name HD2#) 3.4 0.5 3.6
assign (resid 18 and name HB2) (resid 18 and name HD2#) 2.5 0.4 3.6
assign (resid 30 and name HB1) (resid 30 and name HD2#) 3.4 0.5 2.5
assign (resid 30 and name HB2) (resid 30 and name HD2#) 3.4 0.5 2.5
assign (resid 46 and name HB1) (resid 46 and name HD2#) 2.5 0.4 3.6
assign (resid 46 and name HB2) (resid 46 and name HD2#) 2.5 0.4 3.6
assign (resid 51 and name HB1) (resid 51 and name HD2#) 2.5 0.4 2.4
assign (resid 51 and name HB2) (resid 51 and name HD2#) 3.4 0.5 2.5
assign (resid 12 and name HB1) (resid 12 and name HD2#) 3.4 0.5 2.5
assign (resid 12 and name HB2) (resid 12 and name HD2#) 4.2 0.6 2.8


assign (resid 9  and name HA) (resid 28 and name HN)  3.5 0.4 0.4
assign (resid 17 and name HA) (resid 25 and name HN)  2.5 0.4 0.4
assign (resid 24 and name HA) (resid 18 and name HN)  4.2 0.6 0.8
assign (resid 28 and name HA) (resid 30 and name HN)  4.2 0.6 0.8
assign (resid 31 and name HA) (resid 40 and name HN)  2.5 0.4 0.4
assign (resid 41 and name HA) (resid 43 and name HN)  4.2 0.6 0.8
assign (resid 39 and name HA) (resid 32 and name HN)  2.5 0.4 0.4
assign (resid 49 and name HA) (resid 51 and name HN)  3.4 0.5 0.5
assign (resid 51 and name HA) (resid 53 and name HN)  4.2 0.6 0.8
assign (resid 56 and name HA) (resid 46 and name HN)  3.5 0.4 0.4


assign (resid 9  and name HA)  (resid 27 and name HA)  3.4 0.5 0.5
assign (resid 17 and name HA)  (resid 24 and name HA)  2.5 0.4 0.4
assign (resid 31 and name HA)  (resid 39 and name HA)  2.5 0.4 0.4
assign (resid 43 and name HA)  (resid 58 and name HA)  2.5 0.4 0.4
assign (resid 45 and name HA1) (resid 56 and name HA)  2.5 0.4 0.4
assign (resid 45 and name HA2) (resid 56 and name HA)  4.2 0.6 0.8
assign (resid 47 and name HA)  (resid 55 and name HA)  3.4 0.5 0.5


assign (resid 32 and name HN) (resid 38 and name HN)  2.5 0.4 0.4
assign (resid 34 and name HN) (resid 36 and name HN)  4.2 0.6 0.8
assign (resid 35 and name HN) (resid 37 and name HN)  3.4 0.5 0.5
assign (resid 44 and name HN) (resid 42 and name HN)  4.2 0.6 0.8
assign (resid 57 and name HN) (resid 44 and name HN)  3.4 0.5 0.5

assign (resid 10 and name HN) (resid 28 and name HG1#)  2.5 0.4 1.4
assign (resid 10 and name HN) (resid 28 and name HG2#)  2.5 0.4 1.4
assign (resid 18 and name HN) (resid 25 and name HB#)   3.4 0.5 1.5
assign (resid 18 and name HN) (resid 25 and name HG)    4.2 0.6 0.8
assign (resid 18 and name HN) (resid 25 and name HD*)   4.2 0.6 4.8
assign (resid 36 and name HN) (resid 24 and name HB1)   4.2 0.6 0.8
assign (resid 58 and name HN) (resid 43 and name HD#)   3.4 0.5 2.5
assign (resid 51 and name HN) (resid 49 and name HB#)   3.4 0.5 1.5

assign (resid 8  and name HA)  (resid 28 and name HG2#) 4.2 0.6 1.8
assign (resid 8  and name HA)  (resid 29 and name HD#)  2.5 0.4 2.4
assign (resid 8  and name HA)  (resid 29 and name HE#)  2.5 0.4 2.4
assign (resid 9  and name HA)  (resid 28 and name HB)   4.2 0.6 0.8
assign (resid 9  and name HA)  (resid 28 and name HG1#) 2.5 0.4 1.4
assign (resid 9  and name HA)  (resid 28 and name HG2#) 2.5 0.4 1.4
assign (resid 9  and name HA)  (resid 28 and name HD#)  2.5 0.4 1.4
assign (resid 10 and name HA)  (resid 28 and name HG2#) 3.4 0.5 1.5
assign (resid 10 and name HA)  (resid  9 and name HG# ) 4.2 0.6 1.8
assign (resid 16 and name HA)  (resid 26 and name HB1)  3.4 0.5 1.6
assign (resid 16 and name HA)  (resid 26 and name HB2)  3.4 0.5 1.6
assign (resid 16 and name HA)  (resid 26 and name HG1)  3.4 0.5 1.6
assign (resid 16 and name HA)  (resid 26 and name HG2)  3.4 0.5 1.6
assign (resid 16 and name HA)  (resid 26 and name HD#)  3.4 0.5 1.5
assign (resid 17 and name HA)  (resid 25 and name HB1)  2.5 0.4 1.6 
assign (resid 17 and name HA)  (resid 25 and name HB2)  4.2 0.6 1.6
assign (resid 17 and name HA)  (resid 25 and name HG )  4.2 0.6 0.8
assign (resid 17 and name HA)  (resid 25 and name HD*)  3.4 0.5 4.5
assign (resid 18 and name HA)  (resid 25 and name HG )  3.4 0.5 0.5 
assign (resid 18 and name HA)  (resid 25 and name HD*)  4.2 0.6 4.8
assign (resid 21 and name HA)  (resid 34 and name HE#)  4.2 0.6 2.8
assign (resid 24 and name HA)  (resid 17 and name HB#)  3.4 0.5 1.5
assign (resid 27 and name HA)  (resid  9 and name HG1#) 3.4 0.5 2.5
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assign (resid 37 and name HA)  (resid 48 and name HD*)  3.4 0.5 4.5
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assign (resid 37 and name HA)  (resid 47 and name HB2)  4.2 0.3 1.6
assign (resid 37 and name HA)  (resid 47 and name HD#)  3.4 0.5 2.5
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assign (resid 38 and name HA)  (resid 47 and name HB2)  3.4 0.5 1.6
assign (resid 31 and name HA)  (resid 39 and name HB1)  4.2 0.6 0.8
assign (resid 31 and name HA)  (resid 39 and name HB2)  4.2 0.6 0.8
assign (resid 39 and name HA)  (resid 31 and name HB)   3.4 0.5 0.5
assign (resid 39 and name HA)  (resid 31 and name HG#)  3.4 0.5 1.5
assign (resid 40 and name HA)  (resid 32 and name HB#)  2.5 0.4 1.4
assign (resid 43 and name HA)  (resid 58 and name HB#)  4.2 0.6 1.8
assign (resid 52 and name HA)  (resid 55 and name HB#)  3.4 0.5 1.5
assign (resid 52 and name HA)  (resid 55 and name HG#)  4.2 0.6 1.8
assign (resid 52 and name HA)  (resid 55 and name HD#)  3.4 0.5 1.5
assign (resid 52 and name HA)  (resid 55 and name HE#)  3.4 0.5 1.5
assign (resid 55 and name HA)  (resid 49 and name HB#)  3.4 0.5 1.5
assign (resid 57 and name HA)  (resid 43 and name HD#)  2.5 0.4 2.4
assign (resid 57 and name HA)  (resid 43 and name HE#)  3.4 0.5 2.5
assign (resid 57 and name HA)  (resid 58 and name HB#)  4.2 0.6 2.8
assign (resid 58 and name HA)  (resid 43 and name HE#)  4.2 0.6 2.8
assign (resid 58 and name HA)  (resid 43 and name HD#)  2.5 0.4 2.4


assign (resid  6 and name HB1) (resid 48 and name HD*)  3.4 0.5 4.5
assign (resid  6 and name HB2) (resid 48 and name HD*)  3.4 0.5 4.5
assign (resid 10 and name HB1) (resid 28 and name HG2#) 3.4 0.5 2.6
assign (resid 10 and name HB2) (resid 28 and name HG2#) 3.4 0.5 2.6
assign (resid 10 and name HB1) (resid 13 and name HB#)  2.5 0.4 2.6
assign (resid 10 and name HB2) (resid 13 and name HB#)  2.5 0.4 2.6
assign (resid 16 and name HB1) (resid  9 and name HG2#) 4.2 0.6 1.8
assign (resid 16 and name HB2) (resid  9 and name HG2#) 4.2 0.6 1.8
assign (resid 16 and name HB1) (resid  9 and name HD#)  3.4 0.5 1.5
assign (resid 16 and name HB2) (resid  9 and name HD#)  3.4 0.5 1.5
assign (resid 16 and name HD2#) (resid 13 and name HB#)  4.2 0.6 2.8
assign (resid 18 and name HB1) (resid 23 and name HB#)  4.2 0.6 1.8
assign (resid 18 and name HB2) (resid 23 and name HB#)  4.2 0.6 1.8
assign (resid 18 and name HB1) (resid 25 and name HD1#) 3.4 0.5 1.5
assign (resid 18 and name HB1) (resid 25 and name HD2#) 3.4 0.5 1.5
assign (resid 18 and name HB2) (resid 25 and name HD1#) 4.2 0.6 1.8
assign (resid 18 and name HB2) (resid 25 and name HD2#) 4.2 0.6 1.8
assign (resid 21 and name HB)  (resid 34 and name HE#)  3.4 0.5 2.5
assign (resid 21 and name HB)  (resid 34 and name HZ)   3.4 0.5 0.5
assign (resid 29 and name HD#) (resid  8 and name HB1)  3.4 0.5 2.5
assign (resid 29 and name HE#) (resid  8 and name HB1)  3.4 0.5 2.5
assign (resid 29 and name HD#) (resid 31 and name HG*)  4.2 0.3 6.8
assign (resid 29 and name HB#) (resid 55 and name HB#)  4.2 0.6 2.8
assign (resid 29 and name HB#) (resid 55 and name HG#)  4.2 0.6 2.8
assign (resid 29 and name HB#) (resid 55 and name HD#)  3.4 0.5 2.5
assign (resid 29 and name HB#) (resid 52 and name HB#)  4.2 0.6 2.8
assign (resid 29 and name HD#) (resid 52 and name HB#)  3.4 0.5 3.5
assign (resid 29 and name HD#) (resid 52 and name HG1)  3.4 0.5 3.6
assign (resid 29 and name HD#) (resid 52 and name HG2)  4.2 0.3 3.6
assign (resid 29 and name HE#) (resid 52 and name HB#)  3.4 0.5 3.5
assign (resid 29 and name HE#) (resid 52 and name HG1)  3.4 0.5 3.6
assign (resid 29 and name HE#) (resid 52 and name HG2)  4.2 0.3 3.6
assign (resid 29 and name HD#) (resid 55 and name HG#)  3.4 0.5 3.5
assign (resid 29 and name HD#) (resid 55 and name HD#)  3.4 0.5 3.5
assign (resid 29 and name HE#) (resid 55 and name HG#)  4.2 0.6 3.8
assign (resid 29 and name HD#) (resid 55 and name HE1)  3.4 0.5 3.6
assign (resid 29 and name HD#) (resid 55 and name HE2)  4.2 0.3 3.6
assign (resid 29 and name HE#) (resid 52 and name HG1)  3.4 0.5 3.6
assign (resid 29 and name HE#) (resid 52 and name HG2)  4.2 0.3 3.6
assign (resid 34 and name HD#) (resid 23 and name HB#)  3.4 0.5 3.5
assign (resid 34 and name HE#) (resid 23 and name HB#)  3.4 0.5 3.5
assign (resid 34 and name HZ)  (resid 23 and name HB#)  3.4 0.5 1.5
assign (resid 34 and name HD#) (resid 23 and name HG#)  4.2 0.6 3.8
assign (resid 34 and name HE#) (resid 23 and name HG#)  4.2 0.6 3.8
assign (resid 34 and name HZ)  (resid 23 and name HG#)  4.2 0.6 1.8
assign (resid 36 and name HB#) (resid  8 and name HB1)  2.5 0.4 1.4
assign (resid 36 and name HB#) (resid  8 and name HB2)  2.5 0.4 1.4
assign (resid 37 and name HB#) (resid 48 and name HD*)  4.2 0.3 5.8
assign (resid 43 and name HA)  (resid 58 and name HB#)  4.2 0.6 2.8
assign (resid 43 and name HE#) (resid 58 and name HB#)  4.2 0.6 3.8
assign (resid 43 and name HD#) (resid 58 and name HB#)  3.4 0.5 3.5
assign (resid 43 and name HE#) (resid 40 and name HB#)  3.4 0.5 3.5
assign (resid 43 and name HE#) (resid 40 and name HG#)  3.4 0.5 3.5
assign (resid 43 and name HE#) (resid 40 and name HD#)  3.4 0.5 3.5
assign (resid 43 and name HD#) (resid 40 and name HB#)  2.5 0.4 3.4
assign (resid 43 and name HD#) (resid 40 and name HG#)  2.5 0.4 3.4
assign (resid 43 and name HD#) (resid 40 and name HD#)  2.5 0.4 3.4
assign (resid 46 and name HB1) (resid 49 and name HB#)  2.5 0.4 1.4
assign (resid 46 and name HB2) (resid 49 and name HB#)  2.5 0.4 1.4
assign (resid 47 and name HB#) (resid 31 and name HG2#) 2.8 0.6 2.8
assign (resid 47 and name HG#) (resid 31 and name HG2#) 3.4 0.5 2.5
assign (resid 48 and name HD*) (resid 37 and name HB1)  4.2 0.6 4.8
assign (resid 48 and name HD*) (resid 37 and name HB2)  4.2 0.6 4.8
assign (resid 54 and name HB1) (resid 49 and name HB#)  2.5 0.4 1.4
assign (resid 54 and name HB2) (resid 49 and name HB#)  2.5 0.4 1.4 
assign (resid 56 and name HB1) (resid 30 and name HB#)  3.4 0.5 1.5
assign (resid 56 and name HB2) (resid 30 and name HB#)  3.4 0.5 1.5


assign (resid 10 and name HN) (resid 16 and name OD1) 1.9 0.5 0.3
assign (resid 32 and name HN) (resid 38 and name O)  1.9 0.5 0.1
assign (resid 32 and name N)  (resid 38 and name O)  2.9 0.5 0.3
assign (resid 40 and name HN) (resid 30 and name O)  1.9 0.5 0.1
assign (resid 40 and name N)  (resid 30 and name O)  2.9 0.5 0.3
assign (resid 28 and name HN) (resid  8 and name O)  1.9 0.5 0.1
assign (resid 28 and name N)  (resid  8 and name O)  2.9 0.5 0.3
assign (resid 25 and name HN) (resid 16 and name O)  1.9 0.5 0.1
assign (resid 25 and name N)  (resid 16 and name O)  2.9 0.5 0.3
assign (resid 18 and name HN) (resid 23 and name O)  1.9 0.5 0.1
assign (resid 18 and name N)  (resid 23 and name O)  2.9 0.5 0.3
assign (resid 36 and name N)  (resid 33 and name O)  2.9 0.5 0.3
assign (resid 36 and name HN) (resid 33 and name O)  1.9 0.5 0.1
assign (resid 57 and name HN) (resid 44 and name O)  1.9 0.5 0.1
assign (resid 57 and name N)  (resid 44 and name O)  2.9 0.5 0.3
assign (resid 44 and name HN) (resid 57 and name O)  1.9 0.5 0.1
assign (resid 44 and name N)  (resid 57 and name O)  2.9 0.5 0.3
assign (resid 46 and name HN) (resid 55 and name O)  1.9 0.5 0.1
assign (resid 46 and name N)  (resid 55 and name O)  2.9 0.5 0.3



 optional:

!assign (resid  3 and name SG) (resid 17 and name SG) 2.02 0.1 0.1
!assign (resid  5 and name SG) (resid 24 and name SG) 2.02 0.1 0.1
!assign (resid 27 and name SG) (resid 36 and name SG) 2.02 0.1 0.1
!assign (resid 39 and name SG) (resid 56 and name SG) 2.02 0.1 0.1


angle restraints:


assign (resid  22 and name  c   )(resid  23  and name n )
       (resid  23 and name  ca  )(resid  23  and name c ) 1 -90.0 90.0  2 
assign (resid   7 and name  c   )(resid   8  and name n )
       (resid   8 and name  ca  )(resid   8  and name c ) 1 -120.0 30.0  2 
assign (resid   8 and name  c   )(resid   9  and name n )
       (resid   9 and name  ca  )(resid   9  and name c ) 1 -139.0 15.0  2 
assign (resid   9 and name  c   )(resid  10  and name n )
       (resid  10 and name  ca  )(resid  10  and name c ) 1 -120.0 10.0  2 
assign (resid   11 and name  c   )(resid  12  and name n )
       (resid  12  and name  ca  )(resid  12  and name c ) 1 -120.0 40.0  2 
assign (resid  12 and name  c   )(resid  13  and name n )
       (resid  13 and name  ca  )(resid  13  and name c ) 1 -70.0  15.0  2 
assign (resid  13 and name  c   )(resid  14  and name n )
       (resid  14 and name  ca  )(resid  14  and name c ) 1 -120.0 15.0  2 
assign (resid  14 and name  c   )(resid  15  and name n )
       (resid  15 and name  ca  )(resid  15  and name c ) 1  80.0 40.0  2  
assign (resid  16 and name  c   )(resid  17  and name n )
       (resid  17 and name  ca  )(resid  17  and name c ) 1 -139.0 15.0  2 
assign (resid  17 and name  c   )(resid  18  and name n )
       (resid  18 and name  ca  )(resid  18  and name c ) 1 -80.0 20.0  2
assign (resid  18 and name  c   )(resid  19  and name n )
       (resid  19 and name  ca  )(resid  19  and name c ) 1 -65.0 15.0  2
assign (resid  19 and name  c   )(resid  20  and name n )
       (resid  20 and name  ca  )(resid  20  and name c ) 1 -120.0 30.0  2
assign (resid  20 and name  c   )(resid  21  and name n )
       (resid  21 and name  ca  )(resid  21  and name c ) 1 -70.0 20.0  2
assign (resid  21 and name  c   )(resid  22  and name n )
       (resid  22 and name  ca  )(resid  22  and name c ) 1  80.0 40.0  2
assign (resid  23 and name   c  )    (resid 24 and name n )
       (resid  24 and name   ca )    (resid 24 and name c )  1 -80.0 30.0 2
assign (resid  24  and name c )    (resid  25  and name n )
       (resid  25  and name ca)   (resid   25  and name c )  1 -100.0 25.0 2
assign (resid  25  and name c )    (resid  26  and name n )
       (resid  26  and name ca)    (resid  26  and name c )  1 -139.0 25.0 2
assign (resid  26  and name c )  (resid  27  and name n )
       (resid  27  and name ca)    (resid  27  and name c )  1 -80.0 25.0 2
assign (resid  28   and name  c   )(resid  29  and name n )
       (resid  29   and name  ca  )(resid  29  and name c ) 1 -120.0 60.0  2
assign (resid  30   and name  c   )(resid  31  and name n )
       (resid  31   and name  ca  )(resid  31  and name c ) 1 -139.0 15.0  2
assign (resid  31   and name  c   )(resid  32  and name n )
       (resid  32   and name  ca  )(resid  32  and name c ) 1 -120.0 45.0  2
assign (resid  32 and name  c   )(resid  33  and name n )
       (resid  33 and name  ca  )(resid  33  and name c )    1  80.0 40.0  2 
assign (resid  34   and name  c   )(resid  35  and name n )
       (resid  35   and name  ca  )(resid  35  and name c ) 1 -120.0 10.0  2
assign (resid  35   and name  c   )(resid  36  and name n )
       (resid  36   and name  ca  )(resid  36  and name c ) 1 80.0 30.0  2
assign (resid  36   and name  c   )(resid  37  and name n )
       (resid  37   and name  ca  )(resid  37  and name c ) 1 -120.0 30.0  2
assign (resid  37   and name  c   )(resid  38  and name n )
       (resid  38   and name  ca  )(resid  38  and name c ) 1 -120.0 10.0  2
assign (resid  38   and name  c   )(resid  39  and name n )
       (resid  39   and name  ca  )(resid  39  and name c ) 1 -120.0 15.0  2
assign (resid  39   and name  c   )(resid  40  and name n )
       (resid  40   and name  ca  )(resid  40  and name c ) 1 -100.0 40.0 2
assign (resid  41   and name  c   )(resid  42  and name n )
       (resid  42   and name  ca  )(resid  42  and name c ) 1  80.0 40.0 2
assign (resid  42   and name  c   )(resid  43  and name n )
       (resid  43   and name  ca  )(resid  43  and name c ) 1 -130.0 15.0  2
assign (resid  43   and name  c   )(resid  44  and name n )
       (resid  44   and name  ca  )(resid  44  and name c ) 1 -120.0 15.0  2
assign (resid  44   and name  c   )(resid  45  and name n )
       (resid  45   and name  ca  )(resid  45  and name c ) 1  80.0 60.0  2
assign (resid  45   and name  c   )(resid  46  and name n )
       (resid  46   and name  ca  )(resid  46  and name c ) 1 -120.0 15.0  2
assign (resid  47   and name  c   )(resid  48  and name n )
       (resid  48   and name  ca  )(resid  48  and name c ) 1 -120.0 10.0  2
assign (resid  48   and name  c   )(resid  49  and name n )
       (resid  49   and name  ca  )(resid  49  and name c ) 1 -120.0 30.0  2
assign (resid  50   and name  c   )(resid  51  and name n )
       (resid  51   and name  ca  )(resid  51  and name c ) 1 -80.0 20.0  2
assign (resid  52   and name  c   )(resid  53  and name n )
       (resid  53   and name  ca  )(resid  53  and name c ) 1 -120.0 45.0  2
assign (resid  53   and name  c   )(resid  54  and name n )
       (resid  54   and name  ca  )(resid  54  and name c ) 1 -120.0 15.0  2
assign (resid  55   and name  c   )(resid  56  and name n )
       (resid  56   and name  ca  )(resid  56  and name c ) 1 -80.0 20.0  2 
assign (resid  57   and name  c   )(resid  58  and name n )
       (resid  58   and name  ca  )(resid  58  and name c ) 1 -80.0 20.0  2



assign (resid  1 and name n ) (resid  1 and name ca )
       (resid  1 and name c ) (resid  2 and name  n ) 1 120.0 60.0 2
assign (resid 10 and name n ) (resid 10 and name ca )
       (resid 10 and name c ) (resid 11 and name  n ) 1 120.0 60.0 2
assign (resid 46 and name n ) (resid 46 and name ca )
       (resid 46 and name c ) (resid 47 and name  n ) 1 120.0 60.0 2 
assign (resid 49 and name n ) (resid 49 and name ca )
       (resid 49 and name c ) (resid 50 and name n  ) 1 120.0 60.0 2     
assign (resid 51 and name n ) (resid 51 and name ca )
       (resid 51 and name c ) (resid 52 and name n  ) 1 120.0 60.0 2   


assign (resid  6 and name n ) (resid  6 and name ca )
       (resid  6 and name cb )(resid  6 and name cg ) 1 -60.0 40.0 2
assign (resid  8 and name n ) (resid  8 and name ca )
       (resid  8 and name cb )(resid  8 and name cg ) 1 -60.0 40.0 2
assign (resid  9 and name n ) (resid  9 and name ca )
       (resid  9 and name cb )(resid  9 and name cg1) 1  60.0 40.0 2
assign (resid 10 and name n ) (resid 10 and name ca )
       (resid 10 and name cb )(resid 10 and name cg ) 1 -60.0 40.0 2
assign (resid 14 and name n ) (resid 14 and name ca )
       (resid 14 and name cb )(resid 14 and name cg1) 1 180.0 40.0 2
assign (resid 16 and name n ) (resid 16 and name ca )
       (resid 16 and name cb )(resid 16 and name cg ) 1 -60.0 40.0 2
assign (resid 18 and name n ) (resid 18 and name ca )
       (resid 18 and name cb )(resid 18 and name cg ) 1 -60.0 40.0 2
assign (resid 24 and name n ) (resid 24 and name ca )
       (resid 24 and name cb )(resid 24 and name sg ) 1 -60.0 40.0 2
assign (resid 26 and name n ) (resid 26 and name ca )
       (resid 26 and name cb )(resid 26 and name cg ) 1 -120.0 80.0 2
assign (resid 27 and name n ) (resid 27 and name ca )
       (resid 27 and name cb )(resid 27 and name sg ) 1 -60.0 40.0 2
assign (resid 28 and name n ) (resid 28 and name ca )
       (resid 28 and name cb )(resid 28 and name cg1) 1  60.0 40.0 2
assign (resid 31 and name n ) (resid 31 and name ca )
       (resid 31 and name cb )(resid 31 and name og1) 1  60.0 40.0 2
assign (resid 34 and name n ) (resid 34 and name ca )
       (resid 34 and name cb )(resid 34 and name cg ) 1 180.0 40.0 2
assign (resid 35 and name n ) (resid 35 and name ca )
       (resid 35 and name cb )(resid 35 and name cg ) 1 -60.0 40.0 2
assign (resid 39 and name n ) (resid 39 and name ca )
       (resid 39 and name cb )(resid 39 and name sg ) 1 -60.0 40.0 2 
assign (resid 43 and name n ) (resid 43 and name ca )
       (resid 43 and name cb )(resid 43 and name cg ) 1 -60.0 40.0 2
assign (resid 44 and name n ) (resid 44 and name ca )
       (resid 44 and name cb )(resid 44 and name cg ) 1 -60.0 40.0 2
assign (resid 46 and name n ) (resid 46 and name ca )
       (resid 46 and name cb )(resid 46 and name cg ) 1 -60.0 40.0 2
assign (resid 54 and name n ) (resid 54 and name ca )
       (resid 54 and name cb )(resid 54 and name cg ) 1 -60.0 40.0 2
assign (resid 55 and name n ) (resid 55 and name ca )
       (resid 55 and name cb )(resid 55 and name cg ) 1 -120.0 80.0 2
assign (resid 56 and name n ) (resid 56 and name ca )
       (resid 56 and name cb )(resid 56 and name sg ) 1 -60.0 40.0 2
assign (resid 57 and name n ) (resid 57 and name ca )
       (resid 57 and name cb )(resid 57 and name cg ) 1 -60.0 40.0 2


!set echo=true end
!set wrnlev=5 end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1           HT3      ARG   1  15.421  66.351  87.807
    2   2H    ARG   1           HT2      ARG   1  13.953  67.196  87.946
    3   3H    ARG   1           HT1      ARG   1  14.684  66.522  89.324
    4    HA   ARG   1           HA       ARG   1  14.192  64.341  88.685
    5   1HB   ARG   1           HB2      ARG   1  12.231  66.113  89.228
    6   2HB   ARG   1           HB1      ARG   1  11.716  65.599  87.621
    7   1HG   ARG   1           HG2      ARG   1  10.677  64.118  89.219
    8   2HG   ARG   1           HG1      ARG   1  11.951  63.208  88.406
    9   1HD   ARG   1           HD2      ARG   1  12.479  62.688  90.588
   10   2HD   ARG   1           HD1      ARG   1  13.406  64.179  90.429
   11    HE   ARG   1           HE       ARG   1  10.848  63.885  91.900
   12   1HH1  ARG   1          HH11      ARG   1  10.659  66.509  90.711
   13   2HH1  ARG   1          HH12      ARG   1  11.566  67.527  91.779
   14   1HH2  ARG   1          HH21      ARG   1  13.231  64.894  93.303
   15   2HH2  ARG   1          HH22      ARG   1  13.023  66.613  93.246
   16    HA   PRO   2           HA       PRO   2  14.924  64.212  84.209
   17   1HB   PRO   2           HB2      PRO   2  16.304  61.836  84.310
   18   2HB   PRO   2           HB1      PRO   2  17.055  63.417  84.587
   19   1HG   PRO   2           HG2      PRO   2  16.354  61.302  86.566
   20   2HG   PRO   2           HG1      PRO   2  17.602  62.555  86.658
   21   1HD   PRO   2           HD2      PRO   2  15.088  62.615  87.961
   22   2HD   PRO   2           HD1      PRO   2  16.207  63.984  87.782
   23    H    CYS   3           HN       CYS   3  13.952  61.483  86.296
   24    HA   CYS   3           HA       CYS   3  12.253  60.476  84.056
   25   1HB   CYS   3           HB2      CYS   3  12.083  58.410  85.597
   26   2HB   CYS   3           HB1      CYS   3  13.628  58.698  84.800
   27    H    GLN   4           HN       GLN   4  10.050  60.534  84.267
   28    HA   GLN   4           HA       GLN   4   8.849  62.115  86.335
   29   1HB   GLN   4           HB2      GLN   4   7.731  60.267  84.223
   30   2HB   GLN   4           HB1      GLN   4   6.682  61.086  85.381
   31   1HG   GLN   4           HG2      GLN   4   8.711  62.773  84.006
   32   2HG   GLN   4           HG1      GLN   4   7.371  62.190  83.019
   33   1HE2  GLN   4          HE22      GLN   4   6.558  65.410  84.984
   34   2HE2  GLN   4          HE21      GLN   4   7.987  64.975  84.178
   35    H    CYS   5           HN       CYS   5   7.941  61.525  88.274
   36    HA   CYS   5           HA       CYS   5   6.943  58.953  88.944
   37   1HB   CYS   5           HB2      CYS   5   9.418  58.408  88.668
   38   2HB   CYS   5           HB1      CYS   5   9.709  59.418  90.083
   39    H    ASN   6           HN       ASN   6   6.326  58.845  91.239
   40    HA   ASN   6           HA       ASN   6   5.433  61.291  92.321
   41   1HB   ASN   6           HB2      ASN   6   5.868  58.548  93.449
   42   2HB   ASN   6           HB1      ASN   6   5.494  59.871  94.555
   43   1HD2  ASN   6          HD22      ASN   6   2.071  59.504  93.841
   44   2HD2  ASN   6          HD21      ASN   6   3.285  59.724  95.006
   45    H    ASP   7           HN       ASP   7   6.171  62.153  94.558
   46    HA   ASP   7           HA       ASP   7   9.021  62.811  94.314
   47   1HB   ASP   7           HB2      ASP   7   7.217  64.460  94.971
   48   2HB   ASP   7           HB1      ASP   7   7.116  63.622  96.519
   49    H    ASN   8           HN       ASN   8   9.485  60.335  94.745
   50    HA   ASN   8           HA       ASN   8  10.179  60.133  97.639
   51   1HB   ASN   8           HB2      ASN   8   9.201  57.634  96.331
   52   2HB   ASN   8           HB1      ASN   8   9.079  58.142  98.015
   53   1HD2  ASN   8          HD22      ASN   8   5.904  59.644  97.596
   54   2HD2  ASN   8          HD21      ASN   8   7.180  59.293  98.659
   55    H    ILE   9           HN       ILE   9  12.156  60.812  96.126
   56    HA   ILE   9           HA       ILE   9  13.771  58.373  95.816
   57    HB   ILE   9           HB       ILE   9  14.444  58.953  93.503
   58   1HG1  ILE   9          HG12      ILE   9  12.293  60.591  92.692
   59   2HG1  ILE   9          HG11      ILE   9  12.944  61.339  94.152
   60   1HG2  ILE   9          HG23      ILE   9  12.464  57.407  94.100
   61   2HG2  ILE   9          HG22      ILE   9  11.432  58.750  93.608
   62   3HG2  ILE   9          HG21      ILE   9  12.538  58.016  92.446
   63   1HD1  ILE   9          HD11      ILE   9  15.197  60.541  92.679
   64   2HD1  ILE   9          HD13      ILE   9  14.092  61.229  91.489
   65   3HD1  ILE   9          HD12      ILE   9  14.599  62.188  92.879
   66    H    ASP  10           HN       ASP  10  16.029  58.870  95.802
   67    HA   ASP  10           HA       ASP  10  16.610  61.651  96.711
   68   1HB   ASP  10           HB2      ASP  10  17.733  58.973  97.386
   69   2HB   ASP  10           HB1      ASP  10  18.842  60.344  97.408
   70    HA   PRO  11           HA       PRO  11  18.774  62.070  92.834
   71   1HB   PRO  11           HB2      PRO  11  19.768  64.576  93.346
   72   2HB   PRO  11           HB1      PRO  11  18.101  64.266  92.832
   73   1HG   PRO  11           HG2      PRO  11  19.134  64.979  95.543
   74   2HG   PRO  11           HG1      PRO  11  17.552  65.316  94.822
   75   1HD   PRO  11           HD2      PRO  11  18.083  63.281  96.688
   76   2HD   PRO  11           HD1      PRO  11  16.648  63.378  95.642
   77    H    ASN  12           HN       ASN  12  20.141  61.823  95.912
   78    HA   ASN  12           HA       ASN  12  22.902  62.410  95.175
   79   1HB   ASN  12           HB2      ASN  12  21.569  61.180  97.584
   80   2HB   ASN  12           HB1      ASN  12  23.324  61.152  97.411
   81   1HD2  ASN  12          HD22      ASN  12  23.590  64.774  97.615
   82   2HD2  ASN  12          HD21      ASN  12  24.254  63.463  96.767
   83    H    ALA  13           HN       ALA  13  21.514  59.323  96.368
   84    HA   ALA  13           HA       ALA  13  23.594  57.718  95.282
   85   1HB   ALA  13           HB2      ALA  13  21.909  57.003  97.020
   86   2HB   ALA  13           HB1      ALA  13  20.723  56.857  95.723
   87   3HB   ALA  13           HB3      ALA  13  22.156  55.829  95.728
   88    H    VAL  14           HN       VAL  14  23.175  56.017  93.514
   89    HA   VAL  14           HA       VAL  14  21.722  57.307  91.235
   90    HB   VAL  14           HB       VAL  14  24.314  55.745  91.303
   91   1HG1  VAL  14          HG11      VAL  14  22.422  56.302  89.026
   92   2HG1  VAL  14          HG13      VAL  14  24.156  56.168  88.735
   93   3HG1  VAL  14          HG12      VAL  14  23.269  54.805  89.419
   94   1HG2  VAL  14          HG21      VAL  14  23.453  58.543  90.615
   95   2HG2  VAL  14          HG23      VAL  14  24.813  58.009  91.602
   96   3HG2  VAL  14          HG22      VAL  14  24.887  57.863  89.846
   97    H    GLY  15           HN       GLY  15  20.634  55.831  89.771
   98   1HA   GLY  15           HA2      GLY  15  19.882  53.607  89.122
   99   2HA   GLY  15           HA1      GLY  15  20.420  53.015  90.698
  100    H    ASN  16           HN       ASN  16  19.025  55.710  91.697
  101    HA   ASN  16           HA       ASN  16  16.754  54.536  92.839
  102   1HB   ASN  16           HB2      ASN  16  17.477  57.377  92.184
  103   2HB   ASN  16           HB1      ASN  16  15.900  57.002  92.882
  104   1HD2  ASN  16          HD22      ASN  16  18.814  55.504  95.289
  105   2HD2  ASN  16          HD21      ASN  16  18.621  54.945  93.698
  106    H    CYS  17           HN       CYS  17  17.160  55.424  89.528
  107    HA   CYS  17           HA       CYS  17  14.204  55.145  89.162
  108   1HB   CYS  17           HB2      CYS  17  15.864  57.291  88.393
  109   2HB   CYS  17           HB1      CYS  17  15.498  56.412  86.908
  110    H    ASN  18           HN       ASN  18  13.551  53.860  87.335
  111    HA   ASN  18           HA       ASN  18  15.511  51.812  86.551
  112   1HB   ASN  18           HB2      ASN  18  12.704  51.982  85.461
  113   2HB   ASN  18           HB1      ASN  18  13.671  50.550  85.755
  114   1HD2  ASN  18          HD22      ASN  18  11.397  50.368  88.542
  115   2HD2  ASN  18          HD21      ASN  18  11.530  49.927  86.909
  116    H    ARG  19           HN       ARG  19  16.739  52.049  84.742
  117    HA   ARG  19           HA       ARG  19  16.228  54.260  82.915
  118   1HB   ARG  19           HB2      ARG  19  18.509  53.279  83.684
  119   2HB   ARG  19           HB1      ARG  19  18.234  52.072  82.427
  120   1HG   ARG  19           HG2      ARG  19  19.369  53.693  81.214
  121   2HG   ARG  19           HG1      ARG  19  17.701  54.200  80.947
  122   1HD   ARG  19           HD2      ARG  19  17.911  56.059  82.265
  123   2HD   ARG  19           HD1      ARG  19  19.010  55.261  83.392
  124    HE   ARG  19           HE       ARG  19  19.808  56.529  80.821
  125   1HH1  ARG  19          HH11      ARG  19  21.226  53.985  82.071
  126   2HH1  ARG  19          HH12      ARG  19  22.610  54.760  82.766
  127   1HH2  ARG  19          HH21      ARG  19  21.302  57.957  82.458
  128   2HH2  ARG  19          HH22      ARG  19  22.653  57.010  82.986
  129    H    LEU  20           HN       LEU  20  15.023  51.108  83.052
  130    HA   LEU  20           HA       LEU  20  14.718  51.048  80.086
  131   1HB   LEU  20           HB2      LEU  20  14.325  48.668  80.238
  132   2HB   LEU  20           HB1      LEU  20  15.792  49.053  81.129
  133    HG   LEU  20           HG       LEU  20  13.119  48.869  82.520
  134   1HD1  LEU  20          HD13      LEU  20  14.824  46.715  81.440
  135   2HD1  LEU  20          HD12      LEU  20  14.352  46.525  83.129
  136   3HD1  LEU  20          HD11      LEU  20  13.117  46.688  81.882
  137   1HD2  LEU  20          HD23      LEU  20  15.842  49.441  83.267
  138   2HD2  LEU  20          HD22      LEU  20  14.401  49.450  84.283
  139   3HD2  LEU  20          HD21      LEU  20  15.316  47.959  84.064
  140    H    THR  21           HN       THR  21  12.780  50.595  83.078
  141    HA   THR  21           HA       THR  21  10.319  50.679  81.438
  142    HB   THR  21           HB       THR  21   9.393  50.608  83.964
  143    HG1  THR  21           HG1      THR  21  10.865  49.441  85.220
  144   1HG2  THR  21          HG21      THR  21   9.056  48.927  82.162
  145   2HG2  THR  21          HG23      THR  21  10.637  48.241  82.536
  146   3HG2  THR  21          HG22      THR  21   9.342  48.175  83.732
  147    H    GLY  22           HN       GLY  22  12.336  52.886  83.195
  148   1HA   GLY  22           HA2      GLY  22  12.054  55.192  83.584
  149   2HA   GLY  22           HA1      GLY  22  10.657  55.126  82.506
  150    H    GLU  23           HN       GLU  23  11.501  53.849  85.761
  151    HA   GLU  23           HA       GLU  23   9.158  55.193  86.922
  152   1HB   GLU  23           HB2      GLU  23   7.979  53.214  87.542
  153   2HB   GLU  23           HB1      GLU  23   8.410  52.959  85.852
  154   1HG   GLU  23           HG2      GLU  23  10.316  51.596  86.489
  155   2HG   GLU  23           HG1      GLU  23  10.033  51.938  88.197
  156    H    CYS  24           HN       CYS  24   9.332  55.179  89.309
  157    HA   CYS  24           HA       CYS  24  11.947  55.288  90.331
  158   1HB   CYS  24           HB2      CYS  24   9.286  54.782  91.662
  159   2HB   CYS  24           HB1      CYS  24  10.778  54.849  92.599
  160    H    LEU  25           HN       LEU  25  13.452  53.663  90.526
  161    HA   LEU  25           HA       LEU  25  12.561  50.854  90.522
  162   1HB   LEU  25           HB2      LEU  25  14.843  52.095  89.577
  163   2HB   LEU  25           HB1      LEU  25  15.417  51.361  91.041
  164    HG   LEU  25           HG       LEU  25  14.356  50.119  88.546
  165   1HD1  LEU  25          HD11      LEU  25  16.714  49.924  90.313
  166   2HD1  LEU  25          HD13      LEU  25  16.176  48.418  89.568
  167   3HD1  LEU  25          HD12      LEU  25  16.599  49.800  88.557
  168   1HD2  LEU  25          HD23      LEU  25  13.917  49.070  91.321
  169   2HD2  LEU  25          HD22      LEU  25  12.822  49.049  89.939
  170   3HD2  LEU  25          HD21      LEU  25  14.197  47.947  89.991
  171    H    LYS  26           HN       LYS  26  13.861  53.205  92.801
  172    HA   LYS  26           HA       LYS  26  13.292  51.270  94.989
  173   1HB   LYS  26           HB2      LYS  26  15.831  52.894  95.016
  174   2HB   LYS  26           HB1      LYS  26  15.408  51.495  96.000
  175   1HG   LYS  26           HG2      LYS  26  15.594  50.009  94.123
  176   2HG   LYS  26           HG1      LYS  26  15.720  51.358  92.993
  177   1HD   LYS  26           HD2      LYS  26  17.808  52.013  94.459
  178   2HD   LYS  26           HD1      LYS  26  17.766  50.312  94.926
  179   1HE   LYS  26           HE2      LYS  26  17.547  50.979  92.018
  180   2HE   LYS  26           HE1      LYS  26  19.130  51.110  92.785
  181   1HZ   LYS  26           HZ3      LYS  26  18.670  48.808  93.683
  182   2HZ   LYS  26           HZ2      LYS  26  17.392  48.726  92.566
  183   3HZ   LYS  26           HZ1      LYS  26  18.990  48.919  92.023
  184    H    CYS  27           HN       CYS  27  11.420  52.802  95.388
  185    HA   CYS  27           HA       CYS  27  11.656  55.587  95.756
  186   1HB   CYS  27           HB2      CYS  27   9.939  53.832  97.526
  187   2HB   CYS  27           HB1      CYS  27   9.599  55.467  96.970
  188    H    ILE  28           HN       ILE  28  11.937  56.830  97.757
  189    HA   ILE  28           HA       ILE  28  14.000  55.618  99.458
  190    HB   ILE  28           HB       ILE  28  13.606  58.106 100.535
  191   1HG1  ILE  28          HG12      ILE  28  13.421  58.533  97.569
  192   2HG1  ILE  28          HG11      ILE  28  11.956  58.435  98.539
  193   1HG2  ILE  28          HG22      ILE  28  15.493  56.732  98.837
  194   2HG2  ILE  28          HG21      ILE  28  15.400  58.434  98.387
  195   3HG2  ILE  28          HG23      ILE  28  15.794  57.981 100.045
  196   1HD1  ILE  28          HD11      ILE  28  14.181  60.221  99.444
  197   2HD1  ILE  28          HD13      ILE  28  13.122  60.764  98.142
  198   3HD1  ILE  28          HD12      ILE  28  12.446  60.372  99.724
  199    H    TYR  29           HN       TYR  29  11.174  57.559 100.371
  200    HA   TYR  29           HA       TYR  29  11.182  56.718 103.081
  201   1HB   TYR  29           HB2      TYR  29   8.852  57.791 101.476
  202   2HB   TYR  29           HB1      TYR  29   8.986  57.778 103.235
  203    HD1  TYR  29           HD2      TYR  29  11.933  58.428 103.459
  204    HD2  TYR  29           HD1      TYR  29   8.811  60.146 101.060
  205    HE1  TYR  29           HE2      TYR  29  13.179  60.570 103.368
  206    HE2  TYR  29           HE1      TYR  29  10.057  62.287 100.970
  207    HH   TYR  29           HH       TYR  29  13.303  62.563 101.882
  208    H    ASN  30           HN       ASN  30  11.367  54.352 102.770
  209    HA   ASN  30           HA       ASN  30  10.461  52.166 102.385
  210   1HB   ASN  30           HB2      ASN  30   8.481  53.232 104.391
  211   2HB   ASN  30           HB1      ASN  30   9.215  51.631 104.317
  212   1HD2  ASN  30          HD22      ASN  30  12.488  53.253 105.289
  213   2HD2  ASN  30          HD21      ASN  30  11.951  52.492 103.870
  214    H    THR  31           HN       THR  31   9.444  53.566 100.253
  215    HA   THR  31           HA       THR  31   6.567  52.722 100.292
  216    HB   THR  31           HB       THR  31   6.168  54.483  98.570
  217    HG1  THR  31           HG1      THR  31   7.911  56.110  98.546
  218   1HG2  THR  31          HG23      THR  31   6.560  54.780 101.355
  219   2HG2  THR  31          HG22      THR  31   7.238  56.220 100.596
  220   3HG2  THR  31          HG21      THR  31   5.558  55.775 100.299
  221    H    ALA  32           HN       ALA  32   5.773  51.725  98.369
  222    HA   ALA  32           HA       ALA  32   7.839  51.021  96.335
  223   1HB   ALA  32           HB2      ALA  32   6.160  49.099  97.954
  224   2HB   ALA  32           HB1      ALA  32   6.874  48.644  96.407
  225   3HB   ALA  32           HB3      ALA  32   7.912  49.111  97.754
  226    H    GLY  33           HN       GLY  33   6.707  49.835  94.437
  227   1HA   GLY  33           HA2      GLY  33   4.453  49.490  93.363
  228   2HA   GLY  33           HA1      GLY  33   4.012  51.067  94.022
  229    H    PHE  34           HN       PHE  34   3.930  50.413  91.233
  230    HA   PHE  34           HA       PHE  34   6.189  51.170  89.735
  231   1HB   PHE  34           HB2      PHE  34   4.001  50.291  88.823
  232   2HB   PHE  34           HB1      PHE  34   3.314  51.894  89.067
  233    HD1  PHE  34           HD2      PHE  34   4.308  53.874  87.836
  234    HD2  PHE  34           HD1      PHE  34   5.396  49.813  86.947
  235    HE1  PHE  34           HE2      PHE  34   5.243  54.597  85.657
  236    HE2  PHE  34           HE1      PHE  34   6.328  50.538  84.770
  237    HZ   PHE  34           HZ       PHE  34   6.254  52.930  84.125
  238    H    TYR  35           HN       TYR  35   3.936  53.218  91.552
  239    HA   TYR  35           HA       TYR  35   5.542  55.581  90.661
  240   1HB   TYR  35           HB2      TYR  35   2.595  55.274  91.205
  241   2HB   TYR  35           HB1      TYR  35   3.372  56.850  91.347
  242    HD1  TYR  35           HD2      TYR  35   4.928  57.526  89.310
  243    HD2  TYR  35           HD1      TYR  35   1.794  54.595  89.125
  244    HE1  TYR  35           HE2      TYR  35   4.824  57.792  86.846
  245    HE2  TYR  35           HE1      TYR  35   1.689  54.861  86.662
  246    HH   TYR  35           HH       TYR  35   2.434  57.044  85.019
  247    H    CYS  36           HN       CYS  36   6.044  53.785  92.961
  248    HA   CYS  36           HA       CYS  36   6.455  53.927  95.274
  249   1HB   CYS  36           HB2      CYS  36   6.659  56.847  94.474
  250   2HB   CYS  36           HB1      CYS  36   7.206  56.195  96.019
  251    H    ASP  37           HN       ASP  37   3.636  54.191  94.285
  252    HA   ASP  37           HA       ASP  37   2.432  55.985  96.316
  253   1HB   ASP  37           HB2      ASP  37   1.633  54.916  93.739
  254   2HB   ASP  37           HB1      ASP  37   0.397  54.609  94.959
  255    H    ARG  38           HN       ARG  38   3.819  53.260  96.821
  256    HA   ARG  38           HA       ARG  38   1.573  52.139  98.415
  257   1HB   ARG  38           HB2      ARG  38   2.576  50.855  96.237
  258   2HB   ARG  38           HB1      ARG  38   3.648  50.237  97.494
  259   1HG   ARG  38           HG2      ARG  38   2.025  48.886  98.267
  260   2HG   ARG  38           HG1      ARG  38   0.940  50.262  98.475
  261   1HD   ARG  38           HD2      ARG  38   1.340  48.593  95.982
  262   2HD   ARG  38           HD1      ARG  38  -0.137  48.774  96.930
  263    HE   ARG  38           HE       ARG  38   0.253  51.331  96.179
  264   1HH1  ARG  38          HH21      ARG  38  -0.693  48.532  94.624
  265   2HH1  ARG  38          HH22      ARG  38  -0.528  49.151  93.015
  266   1HH2  ARG  38          HH11      ARG  38   1.018  52.088  94.017
  267   2HH2  ARG  38          HH12      ARG  38   0.443  51.162  92.670
  268    H    CYS  39           HN       CYS  39   2.794  50.349  99.899
  269    HA   CYS  39           HA       CYS  39   5.041  51.797 101.238
  270   1HB   CYS  39           HB2      CYS  39   2.754  50.189 102.427
  271   2HB   CYS  39           HB1      CYS  39   4.095  50.804 103.383
  272    H    LYS  40           HN       LYS  40   6.912  50.518 101.625
  273    HA   LYS  40           HA       LYS  40   7.256  48.078 100.257
  274   1HB   LYS  40           HB2      LYS  40   9.303  47.813 101.528
  275   2HB   LYS  40           HB1      LYS  40   9.089  49.530 101.187
  276   1HG   LYS  40           HG2      LYS  40   9.009  50.017 103.380
  277   2HG   LYS  40           HG1      LYS  40   7.746  48.816 103.649
  278   1HD   LYS  40           HD2      LYS  40   9.351  47.751 104.868
  279   2HD   LYS  40           HD1      LYS  40   9.918  47.204 103.289
  280   1HE   LYS  40           HE2      LYS  40  10.851  49.772 104.596
  281   2HE   LYS  40           HE1      LYS  40  11.712  48.239 104.740
  282   1HZ   LYS  40           HZ2      LYS  40  11.472  48.283 102.150
  283   2HZ   LYS  40           HZ1      LYS  40  11.356  49.960 102.396
  284   3HZ   LYS  40           HZ3      LYS  40  12.733  49.120 102.921
  285    H    GLU  41           HN       GLU  41   7.193  45.905 100.904
  286    HA   GLU  41           HA       GLU  41   5.112  45.115 102.672
  287   1HB   GLU  41           HB2      GLU  41   5.841  43.618 100.925
  288   2HB   GLU  41           HB1      GLU  41   7.480  43.577 101.574
  289   1HG   GLU  41           HG2      GLU  41   6.424  41.561 102.315
  290   2HG   GLU  41           HG1      GLU  41   6.477  42.632 103.716
  291    H    GLY  42           HN       GLY  42   5.096  45.094 104.876
  292   1HA   GLY  42           HA2      GLY  42   6.308  44.126 106.889
  293   2HA   GLY  42           HA1      GLY  42   7.736  44.982 106.284
  294    H    PHE  43           HN       PHE  43   6.236  47.227 105.293
  295    HA   PHE  43           HA       PHE  43   5.304  48.420 107.852
  296   1HB   PHE  43           HB2      PHE  43   6.633  49.982 105.644
  297   2HB   PHE  43           HB1      PHE  43   6.242  50.504 107.284
  298    HD1  PHE  43           HD1      PHE  43   7.099  48.008 108.754
  299    HD2  PHE  43           HD2      PHE  43   9.021  50.269 105.649
  300    HE1  PHE  43           HE1      PHE  43   9.308  47.216 109.549
  301    HE2  PHE  43           HE2      PHE  43  11.232  49.478 106.444
  302    HZ   PHE  43           HZ       PHE  43  11.377  47.950 108.393
  303    H    PHE  44           HN       PHE  44   3.374  49.219 107.745
  304    HA   PHE  44           HA       PHE  44   2.081  49.658 105.085
  305   1HB   PHE  44           HB2      PHE  44   0.434  49.111 107.524
  306   2HB   PHE  44           HB1      PHE  44   0.111  48.699 105.839
  307    HD1  PHE  44           HD2      PHE  44   1.559  46.892 104.737
  308    HD2  PHE  44           HD1      PHE  44   1.418  47.534 108.982
  309    HE1  PHE  44           HE2      PHE  44   2.474  44.618 105.111
  310    HE2  PHE  44           HE1      PHE  44   2.334  45.259 109.357
  311    HZ   PHE  44           HZ       PHE  44   2.861  43.800 107.421
  312    H    GLY  45           HN       GLY  45  -0.003  51.157 105.532
  313   1HA   GLY  45           HA2      GLY  45  -0.676  53.024 107.160
  314   2HA   GLY  45           HA1      GLY  45   1.026  53.474 107.119
  315    H    ASN  46           HN       ASN  46   0.767  55.480 106.172
  316    HA   ASN  46           HA       ASN  46  -0.421  55.486 103.420
  317   1HB   ASN  46           HB2      ASN  46  -0.319  57.585 105.581
  318   2HB   ASN  46           HB1      ASN  46  -0.533  58.042 103.891
  319   1HD2  ASN  46          HD22      ASN  46  -3.916  57.460 105.431
  320   2HD2  ASN  46          HD21      ASN  46  -2.615  58.485 105.804
  321    HA   PRO  47           HA       PRO  47   3.932  56.252 102.556
  322   1HB   PRO  47           HB2      PRO  47   3.743  55.625  99.893
  323   2HB   PRO  47           HB1      PRO  47   3.917  54.411 101.169
  324   1HG   PRO  47           HG2      PRO  47   1.498  55.124  99.580
  325   2HG   PRO  47           HG1      PRO  47   1.909  53.595 100.371
  326   1HD   PRO  47           HD2      PRO  47   0.099  55.538 101.352
  327   2HD   PRO  47           HD1      PRO  47   0.762  54.168 102.269
  328    H    LEU  48           HN       LEU  48   1.099  57.809 101.446
  329    HA   LEU  48           HA       LEU  48   2.711  59.855  99.982
  330   1HB   LEU  48           HB2      LEU  48  -0.221  59.120  99.846
  331   2HB   LEU  48           HB1      LEU  48   0.431  60.586  99.111
  332    HG   LEU  48           HG       LEU  48   2.116  58.390  98.381
  333   1HD1  LEU  48          HD13      LEU  48  -0.641  57.647  98.701
  334   2HD1  LEU  48          HD12      LEU  48  -0.246  57.654  96.982
  335   3HD1  LEU  48          HD11      LEU  48   0.697  56.668  98.099
  336   1HD2  LEU  48          HD21      LEU  48   1.665  60.578  97.186
  337   2HD2  LEU  48          HD23      LEU  48   1.602  59.153  96.149
  338   3HD2  LEU  48          HD22      LEU  48   0.107  59.912  96.695
  339    H    ALA  49           HN       ALA  49   2.646  59.790 102.865
  340    HA   ALA  49           HA       ALA  49   0.788  61.975 103.612
  341   1HB   ALA  49           HB3      ALA  49   1.995  59.800 105.000
  342   2HB   ALA  49           HB2      ALA  49   2.597  61.291 105.723
  343   3HB   ALA  49           HB1      ALA  49   0.861  60.992 105.634
  344    HA   PRO  50           HA       PRO  50   3.898  65.059 103.251
  345   1HB   PRO  50           HB2      PRO  50   2.951  66.847 105.120
  346   2HB   PRO  50           HB1      PRO  50   2.222  66.632 103.518
  347   1HG   PRO  50           HG2      PRO  50   1.242  65.672 106.173
  348   2HG   PRO  50           HG1      PRO  50   0.318  66.099 104.723
  349   1HD   PRO  50           HD2      PRO  50   0.903  63.477 105.556
  350   2HD   PRO  50           HD1      PRO  50   0.374  63.949 103.926
  351    H    ASN  51           HN       ASN  51   3.045  63.725 106.383
  352    HA   ASN  51           HA       ASN  51   5.691  64.529 107.491
  353   1HB   ASN  51           HB2      ASN  51   3.417  63.171 108.957
  354   2HB   ASN  51           HB1      ASN  51   4.794  64.021 109.659
  355   1HD2  ASN  51          HD22      ASN  51   1.659  66.189 108.133
  356   2HD2  ASN  51          HD21      ASN  51   1.825  64.551 107.719
  357    HA   PRO  52           HA       PRO  52   7.049  60.371 106.751
  358   1HB   PRO  52           HB2      PRO  52   9.338  60.491 108.279
  359   2HB   PRO  52           HB1      PRO  52   9.197  61.198 106.660
  360   1HG   PRO  52           HG2      PRO  52   9.207  62.561 109.310
  361   2HG   PRO  52           HG1      PRO  52   9.711  63.179 107.731
  362   1HD   PRO  52           HD2      PRO  52   7.269  63.776 109.014
  363   2HD   PRO  52           HD1      PRO  52   7.640  64.052 107.297
  364    H    ALA  53           HN       ALA  53   6.361  61.700 109.916
  365    HA   ALA  53           HA       ALA  53   6.782  59.233 111.398
  366   1HB   ALA  53           HB2      ALA  53   5.534  61.900 111.956
  367   2HB   ALA  53           HB1      ALA  53   5.157  60.552 113.029
  368   3HB   ALA  53           HB3      ALA  53   6.829  61.071 112.819
  369    H    ASP  54           HN       ASP  54   4.309  60.451 109.339
  370    HA   ASP  54           HA       ASP  54   2.421  58.363 110.350
  371   1HB   ASP  54           HB2      ASP  54   1.963  61.006 108.961
  372   2HB   ASP  54           HB1      ASP  54   0.717  59.758 109.001
  373    H    LYS  55           HN       LYS  55   4.747  58.361 108.284
  374    HA   LYS  55           HA       LYS  55   3.480  57.879 105.730
  375   1HB   LYS  55           HB2      LYS  55   5.930  58.527 106.229
  376   2HB   LYS  55           HB1      LYS  55   6.187  56.819 106.559
  377   1HG   LYS  55           HG2      LYS  55   6.735  57.225 104.232
  378   2HG   LYS  55           HG1      LYS  55   5.226  56.315 104.277
  379   1HD   LYS  55           HD2      LYS  55   5.279  58.319 102.692
  380   2HD   LYS  55           HD1      LYS  55   3.923  58.257 103.815
  381   1HE   LYS  55           HE2      LYS  55   4.980  60.520 103.677
  382   2HE   LYS  55           HE1      LYS  55   5.015  59.840 105.303
  383   1HZ   LYS  55           HZ2      LYS  55   7.290  58.977 104.696
  384   2HZ   LYS  55           HZ1      LYS  55   7.225  59.998 103.339
  385   3HZ   LYS  55           HZ3      LYS  55   7.162  60.659 104.899
  386    H    CYS  56           HN       CYS  56   5.354  55.235 105.739
  387    HA   CYS  56           HA       CYS  56   3.079  53.472 106.480
  388   1HB   CYS  56           HB2      CYS  56   5.579  52.648 104.997
  389   2HB   CYS  56           HB1      CYS  56   4.012  51.840 105.020
  390    H    LYS  57           HN       LYS  57   3.307  53.014 108.667
  391    HA   LYS  57           HA       LYS  57   6.020  52.167 109.594
  392   1HB   LYS  57           HB2      LYS  57   3.750  53.592 110.873
  393   2HB   LYS  57           HB1      LYS  57   4.600  52.427 111.887
  394   1HG   LYS  57           HG2      LYS  57   6.191  54.366 110.241
  395   2HG   LYS  57           HG1      LYS  57   5.461  54.912 111.751
  396   1HD   LYS  57           HD2      LYS  57   6.527  52.769 112.774
  397   2HD   LYS  57           HD1      LYS  57   7.541  52.776 111.330
  398   1HE   LYS  57           HE2      LYS  57   8.375  54.985 111.845
  399   2HE   LYS  57           HE1      LYS  57   7.226  55.161 113.171
  400   1HZ   LYS  57           HZ1      LYS  57   8.473  52.872 113.809
  401   2HZ   LYS  57           HZ3      LYS  57   9.737  53.737 113.081
  402   3HZ   LYS  57           HZ2      LYS  57   8.908  54.400 114.408
  403    H    ALA  58           HN       ALA  58   5.921  50.403 111.330
  404    HA   ALA  58           HA       ALA  58   4.626  48.080 110.262
  405   1HB   ALA  58           HB2      ALA  58   6.156  48.722 112.752
  406   2HB   ALA  58           HB1      ALA  58   5.213  47.232 112.718
  407   3HB   ALA  58           HB3      ALA  58   6.481  47.501 111.522
   
  No H/Q in entry =         407
  Start of MODEL    2
    1   1H    ARG   1           HT3      ARG   1  16.544  68.252  90.584
    2   2H    ARG   1           HT2      ARG   1  15.344  69.285  91.199
    3   3H    ARG   1           HT1      ARG   1  15.695  67.823  91.989
    4    HA   ARG   1           HA       ARG   1  13.965  67.000  90.872
    5   1HB   ARG   1           HB2      ARG   1  13.215  68.158  88.691
    6   2HB   ARG   1           HB1      ARG   1  13.035  69.069  90.191
    7   1HG   ARG   1           HG2      ARG   1  14.745  70.527  89.674
    8   2HG   ARG   1           HG1      ARG   1  15.621  69.328  88.722
    9   1HD   ARG   1           HD2      ARG   1  13.006  69.964  87.578
   10   2HD   ARG   1           HD1      ARG   1  14.054  71.379  87.693
   11    HE   ARG   1           HE       ARG   1  14.378  69.248  85.815
   12   1HH1  ARG   1          HH21      ARG   1  15.860  71.880  87.348
   13   2HH1  ARG   1          HH22      ARG   1  17.451  71.537  86.754
   14   1HH2  ARG   1          HH11      ARG   1  16.554  68.506  85.330
   15   2HH2  ARG   1          HH12      ARG   1  17.846  69.626  85.616
   16    HA   PRO   2           HA       PRO   2  16.999  64.853  88.254
   17   1HB   PRO   2           HB2      PRO   2  16.284  62.357  89.160
   18   2HB   PRO   2           HB1      PRO   2  17.469  63.392  89.975
   19   1HG   PRO   2           HG2      PRO   2  14.665  62.767  90.764
   20   2HG   PRO   2           HG1      PRO   2  16.033  63.257  91.777
   21   1HD   PRO   2           HD2      PRO   2  13.909  64.928  90.916
   22   2HD   PRO   2           HD1      PRO   2  15.427  65.464  91.669
   23    H    CYS   3           HN       CYS   3  14.462  62.487  88.724
   24    HA   CYS   3           HA       CYS   3  13.667  62.869  85.875
   25   1HB   CYS   3           HB2      CYS   3  13.152  60.498  87.693
   26   2HB   CYS   3           HB1      CYS   3  12.875  60.570  85.953
   27    H    GLN   4           HN       GLN   4  11.404  62.903  85.344
   28    HA   GLN   4           HA       GLN   4   9.748  64.425  87.056
   29   1HB   GLN   4           HB2      GLN   4   7.878  63.678  85.562
   30   2HB   GLN   4           HB1      GLN   4   9.283  64.265  84.671
   31   1HG   GLN   4           HG2      GLN   4   9.505  62.280  83.642
   32   2HG   GLN   4           HG1      GLN   4   9.606  61.454  85.199
   33   1HE2  GLN   4          HE22      GLN   4   6.381  60.777  83.049
   34   2HE2  GLN   4          HE21      GLN   4   7.908  61.212  82.452
   35    H    CYS   5           HN       CYS   5   9.791  63.443  89.155
   36    HA   CYS   5           HA       CYS   5   7.711  61.462  89.580
   37   1HB   CYS   5           HB2      CYS   5  10.087  60.320  88.925
   38   2HB   CYS   5           HB1      CYS   5  10.286  60.475  90.671
   39    H    ASN   6           HN       ASN   6   7.398  61.069  91.931
   40    HA   ASN   6           HA       ASN   6   8.947  62.681  93.822
   41   1HB   ASN   6           HB2      ASN   6   6.049  63.388  93.258
   42   2HB   ASN   6           HB1      ASN   6   7.059  64.101  94.515
   43   1HD2  ASN   6          HD22      ASN   6   8.788  66.255  92.289
   44   2HD2  ASN   6          HD21      ASN   6   8.712  65.630  93.866
   45    H    ASP   7           HN       ASP   7   6.964  62.793  95.842
   46    HA   ASP   7           HA       ASP   7   5.704  61.463  97.328
   47   1HB   ASP   7           HB2      ASP   7   6.150  59.078  95.535
   48   2HB   ASP   7           HB1      ASP   7   4.838  59.366  96.676
   49    H    ASN   8           HN       ASN   8   7.957  59.025  95.974
   50    HA   ASN   8           HA       ASN   8   9.437  59.159  98.567
   51   1HB   ASN   8           HB2      ASN   8   8.909  56.535  97.187
   52   2HB   ASN   8           HB1      ASN   8   9.360  56.830  98.867
   53   1HD2  ASN   8          HD22      ASN   8   5.978  57.964  99.715
   54   2HD2  ASN   8          HD21      ASN   8   7.587  58.449  99.962
   55    H    ILE   9           HN       ILE   9  10.869  60.457  97.033
   56    HA   ILE   9           HA       ILE   9  12.896  58.612  95.909
   57    HB   ILE   9           HB       ILE   9  13.076  60.081  93.854
   58   1HG1  ILE   9          HG12      ILE   9  10.517  61.067  93.590
   59   2HG1  ILE   9          HG11      ILE   9  10.865  61.390  95.289
   60   1HG2  ILE   9          HG21      ILE   9  11.733  57.836  94.154
   61   2HG2  ILE   9          HG23      ILE   9  10.325  58.878  93.960
   62   3HG2  ILE   9          HG22      ILE   9  11.534  58.783  92.680
   63   1HD1  ILE   9          HD13      ILE   9  12.717  62.136  93.009
   64   2HD1  ILE   9          HD12      ILE   9  11.572  63.251  93.757
   65   3HD1  ILE   9          HD11      ILE   9  12.898  62.579  94.707
   66    H    ASP  10           HN       ASP  10  15.006  59.585  95.861
   67    HA   ASP  10           HA       ASP  10  15.148  62.075  97.498
   68   1HB   ASP  10           HB2      ASP  10  16.800  59.609  97.343
   69   2HB   ASP  10           HB1      ASP  10  17.659  61.122  97.642
   70    HA   PRO  11           HA       PRO  11  16.932  64.101  93.984
   71   1HB   PRO  11           HB2      PRO  11  17.932  66.278  95.320
   72   2HB   PRO  11           HB1      PRO  11  16.215  66.077  94.931
   73   1HG   PRO  11           HG2      PRO  11  17.599  65.753  97.558
   74   2HG   PRO  11           HG1      PRO  11  15.926  66.229  97.223
   75   1HD   PRO  11           HD2      PRO  11  16.750  63.669  98.054
   76   2HD   PRO  11           HD1      PRO  11  15.180  64.068  97.321
   77    H    ASN  12           HN       ASN  12  18.660  62.847  96.623
   78    HA   ASN  12           HA       ASN  12  21.299  63.823  95.892
   79   1HB   ASN  12           HB2      ASN  12  20.163  62.399  98.060
   80   2HB   ASN  12           HB1      ASN  12  21.431  61.371  97.390
   81   1HD2  ASN  12          HD22      ASN  12  23.889  64.143  97.845
   82   2HD2  ASN  12          HD21      ASN  12  23.322  63.240  96.523
   83    H    ALA  13           HN       ALA  13  19.689  60.606  95.452
   84    HA   ALA  13           HA       ALA  13  21.840  59.344  94.142
   85   1HB   ALA  13           HB3      ALA  13  18.880  59.009  94.143
   86   2HB   ALA  13           HB2      ALA  13  19.761  58.258  92.812
   87   3HB   ALA  13           HB1      ALA  13  20.146  57.827  94.478
   88    H    VAL  14           HN       VAL  14  21.235  58.702  91.558
   89    HA   VAL  14           HA       VAL  14  21.342  61.379  90.228
   90    HB   VAL  14           HB       VAL  14  22.482  58.745  89.258
   91   1HG1  VAL  14          HG13      VAL  14  21.889  60.388  87.486
   92   2HG1  VAL  14          HG12      VAL  14  22.891  61.592  88.296
   93   3HG1  VAL  14          HG11      VAL  14  23.631  60.146  87.609
   94   1HG2  VAL  14          HG22      VAL  14  23.436  60.669  91.200
   95   2HG2  VAL  14          HG21      VAL  14  24.175  59.149  90.695
   96   3HG2  VAL  14          HG23      VAL  14  24.510  60.633  89.803
   97    H    GLY  15           HN       GLY  15  18.967  61.413  90.020
   98   1HA   GLY  15           HA2      GLY  15  17.417  61.333  88.124
   99   2HA   GLY  15           HA1      GLY  15  18.097  59.767  87.693
  100    H    ASN  16           HN       ASN  16  18.043  58.616  90.336
  101    HA   ASN  16           HA       ASN  16  16.547  57.307  91.594
  102   1HB   ASN  16           HB2      ASN  16  14.914  59.856  91.402
  103   2HB   ASN  16           HB1      ASN  16  14.614  58.539  92.535
  104   1HD2  ASN  16          HD22      ASN  16  17.903  60.941  93.117
  105   2HD2  ASN  16          HD21      ASN  16  17.219  60.831  91.567
  106    H    CYS  17           HN       CYS  17  16.131  57.637  88.475
  107    HA   CYS  17           HA       CYS  17  13.448  56.338  88.497
  108   1HB   CYS  17           HB2      CYS  17  12.945  57.431  86.360
  109   2HB   CYS  17           HB1      CYS  17  13.315  58.642  87.585
  110    H    ASN  18           HN       ASN  18  13.153  54.996  86.360
  111    HA   ASN  18           HA       ASN  18  15.462  53.252  86.091
  112   1HB   ASN  18           HB2      ASN  18  13.347  53.172  83.996
  113   2HB   ASN  18           HB1      ASN  18  14.117  51.845  84.843
  114   1HD2  ASN  18          HD22      ASN  18  10.758  53.580  86.422
  115   2HD2  ASN  18          HD21      ASN  18  11.622  54.377  85.200
  116    H    ARG  19           HN       ARG  19  17.188  53.648  84.794
  117    HA   ARG  19           HA       ARG  19  17.388  55.948  83.135
  118   1HB   ARG  19           HB2      ARG  19  19.311  54.631  84.100
  119   2HB   ARG  19           HB1      ARG  19  19.012  53.405  82.867
  120   1HG   ARG  19           HG2      ARG  19  20.202  54.602  81.385
  121   2HG   ARG  19           HG1      ARG  19  19.071  55.943  81.568
  122   1HD   ARG  19           HD2      ARG  19  20.466  56.311  83.819
  123   2HD   ARG  19           HD1      ARG  19  21.717  55.505  82.875
  124    HE   ARG  19           HE       ARG  19  20.939  58.209  82.524
  125   1HH1  ARG  19          HH21      ARG  19  22.745  55.814  81.122
  126   2HH1  ARG  19          HH22      ARG  19  22.641  56.411  79.499
  127   1HH2  ARG  19          HH11      ARG  19  20.223  58.782  80.248
  128   2HH2  ARG  19          HH12      ARG  19  21.209  58.090  79.004
  129    H    LEU  20           HN       LEU  20  15.947  52.865  82.494
  130    HA   LEU  20           HA       LEU  20  16.064  53.419  79.566
  131   1HB   LEU  20           HB2      LEU  20  15.162  51.011  79.427
  132   2HB   LEU  20           HB1      LEU  20  16.827  51.227  79.966
  133    HG   LEU  20           HG       LEU  20  14.827  51.317  82.131
  134   1HD1  LEU  20          HD11      LEU  20  14.015  49.528  80.451
  135   2HD1  LEU  20          HD13      LEU  20  15.467  48.634  80.905
  136   3HD1  LEU  20          HD12      LEU  20  14.250  49.020  82.124
  137   1HD2  LEU  20          HD22      LEU  20  17.444  51.227  82.160
  138   2HD2  LEU  20          HD21      LEU  20  16.544  50.271  83.337
  139   3HD2  LEU  20          HD23      LEU  20  17.213  49.499  81.900
  140    H    THR  21           HN       THR  21  13.663  52.744  82.160
  141    HA   THR  21           HA       THR  21  11.502  53.108  80.185
  142    HB   THR  21           HB       THR  21  10.250  52.940  82.619
  143    HG1  THR  21           HG1      THR  21  11.425  51.344  83.751
  144   1HG2  THR  21          HG21      THR  21  10.573  51.397  80.312
  145   2HG2  THR  21          HG23      THR  21  10.995  50.308  81.633
  146   3HG2  THR  21          HG22      THR  21   9.421  51.102  81.615
  147    H    GLY  22           HN       GLY  22  12.765  54.780  83.082
  148   1HA   GLY  22           HA2      GLY  22  12.750  57.178  83.330
  149   2HA   GLY  22           HA1      GLY  22  11.553  57.276  82.038
  150    H    GLU  23           HN       GLU  23  11.920  56.192  85.444
  151    HA   GLU  23           HA       GLU  23   9.492  57.457  86.280
  152   1HB   GLU  23           HB2      GLU  23   8.965  55.172  84.842
  153   2HB   GLU  23           HB1      GLU  23   9.031  54.547  86.490
  154   1HG   GLU  23           HG2      GLU  23   6.740  55.260  85.907
  155   2HG   GLU  23           HG1      GLU  23   7.399  56.256  87.207
  156    H    CYS  24           HN       CYS  24   9.013  56.855  88.609
  157    HA   CYS  24           HA       CYS  24  11.283  56.805  90.225
  158   1HB   CYS  24           HB2      CYS  24   8.429  56.004  90.667
  159   2HB   CYS  24           HB1      CYS  24   9.612  55.629  91.920
  160    H    LEU  25           HN       LEU  25  12.870  55.300  90.234
  161    HA   LEU  25           HA       LEU  25  12.056  52.417  90.085
  162   1HB   LEU  25           HB2      LEU  25  13.184  52.964  88.049
  163   2HB   LEU  25           HB1      LEU  25  14.451  53.839  88.898
  164    HG   LEU  25           HG       LEU  25  15.335  51.824  89.787
  165   1HD1  LEU  25          HD11      LEU  25  12.759  50.632  88.764
  166   2HD1  LEU  25          HD13      LEU  25  14.156  49.617  89.111
  167   3HD1  LEU  25          HD12      LEU  25  13.412  50.562  90.400
  168   1HD2  LEU  25          HD23      LEU  25  14.570  51.618  86.882
  169   2HD2  LEU  25          HD22      LEU  25  16.118  52.109  87.572
  170   3HD2  LEU  25          HD21      LEU  25  15.612  50.421  87.654
  171    H    LYS  26           HN       LYS  26  12.859  54.559  92.263
  172    HA   LYS  26           HA       LYS  26  14.312  52.605  93.922
  173   1HB   LYS  26           HB2      LYS  26  15.445  55.370  93.413
  174   2HB   LYS  26           HB1      LYS  26  16.119  54.148  94.490
  175   1HG   LYS  26           HG2      LYS  26  16.445  52.632  92.567
  176   2HG   LYS  26           HG1      LYS  26  15.785  53.862  91.489
  177   1HD   LYS  26           HD2      LYS  26  17.823  55.090  93.069
  178   2HD   LYS  26           HD1      LYS  26  18.477  53.591  92.412
  179   1HE   LYS  26           HE2      LYS  26  16.939  55.502  90.660
  180   2HE   LYS  26           HE1      LYS  26  18.661  55.732  90.957
  181   1HZ   LYS  26           HZ3      LYS  26  18.982  53.395  90.223
  182   2HZ   LYS  26           HZ2      LYS  26  17.347  53.357  89.760
  183   3HZ   LYS  26           HZ1      LYS  26  18.422  54.430  89.001
  184    H    CYS  27           HN       CYS  27  11.886  53.043  94.699
  185    HA   CYS  27           HA       CYS  27  11.123  55.476  95.881
  186   1HB   CYS  27           HB2      CYS  27  10.553  52.730  97.034
  187   2HB   CYS  27           HB1      CYS  27   9.584  54.188  97.232
  188    H    ILE  28           HN       ILE  28  11.403  56.307  98.037
  189    HA   ILE  28           HA       ILE  28  13.870  55.256  99.318
  190    HB   ILE  28           HB       ILE  28  13.379  57.633 100.581
  191   1HG1  ILE  28          HG12      ILE  28  12.840  58.174  97.667
  192   2HG1  ILE  28          HG11      ILE  28  11.518  57.943  98.813
  193   1HG2  ILE  28          HG23      ILE  28  15.151  56.585  98.494
  194   2HG2  ILE  28          HG22      ILE  28  14.950  58.335  98.404
  195   3HG2  ILE  28          HG21      ILE  28  15.539  57.590  99.890
  196   1HD1  ILE  28          HD12      ILE  28  13.755  59.951  99.179
  197   2HD1  ILE  28          HD11      ILE  28  12.162  60.346  98.532
  198   3HD1  ILE  28          HD13      ILE  28  12.322  59.774 100.192
  199    H    TYR  29           HN       TYR  29  10.933  56.839 100.529
  200    HA   TYR  29           HA       TYR  29  11.254  55.852 103.191
  201   1HB   TYR  29           HB2      TYR  29   8.745  56.880 101.853
  202   2HB   TYR  29           HB1      TYR  29   9.020  56.751 103.589
  203    HD1  TYR  29           HD2      TYR  29  11.146  57.973 104.514
  204    HD2  TYR  29           HD1      TYR  29   9.296  58.864 100.742
  205    HE1  TYR  29           HE2      TYR  29  12.223  60.207 104.514
  206    HE2  TYR  29           HE1      TYR  29  10.371  61.099 100.742
  207    HH   TYR  29           HH       TYR  29  12.867  61.936 102.933
  208    H    ASN  30           HN       ASN  30  11.522  53.473 102.525
  209    HA   ASN  30           HA       ASN  30  10.613  51.315 102.056
  210   1HB   ASN  30           HB2      ASN  30   9.620  52.491 104.610
  211   2HB   ASN  30           HB1      ASN  30   8.943  50.943 104.104
  212   1HD2  ASN  30          HD22      ASN  30  11.809  49.697 105.879
  213   2HD2  ASN  30          HD21      ASN  30  10.160  50.062 106.054
  214    H    THR  31           HN       THR  31   9.396  52.569 100.148
  215    HA   THR  31           HA       THR  31   6.480  51.955 100.523
  216    HB   THR  31           HB       THR  31   6.089  53.665  98.706
  217    HG1  THR  31           HG1      THR  31   8.841  54.099  99.207
  218   1HG2  THR  31          HG23      THR  31   6.484  54.007 101.438
  219   2HG2  THR  31          HG22      THR  31   7.438  55.300 100.712
  220   3HG2  THR  31          HG21      THR  31   5.717  55.163 100.350
  221    H    ALA  32           HN       ALA  32   5.439  50.946  98.680
  222    HA   ALA  32           HA       ALA  32   7.411  49.718  96.785
  223   1HB   ALA  32           HB3      ALA  32   6.061  48.311  98.610
  224   2HB   ALA  32           HB2      ALA  32   4.817  48.362  97.361
  225   3HB   ALA  32           HB1      ALA  32   6.397  47.662  97.005
  226    H    GLY  33           HN       GLY  33   5.711  48.561  94.997
  227   1HA   GLY  33           HA2      GLY  33   4.028  48.996  93.357
  228   2HA   GLY  33           HA1      GLY  33   3.769  50.586  94.077
  229    H    PHE  34           HN       PHE  34   4.252  49.905  91.245
  230    HA   PHE  34           HA       PHE  34   6.896  50.475  90.419
  231   1HB   PHE  34           HB2      PHE  34   4.914  49.744  88.971
  232   2HB   PHE  34           HB1      PHE  34   4.409  51.431  88.962
  233    HD1  PHE  34           HD2      PHE  34   7.815  49.873  88.780
  234    HD2  PHE  34           HD1      PHE  34   4.855  52.292  86.814
  235    HE1  PHE  34           HE2      PHE  34   9.411  50.333  86.944
  236    HE2  PHE  34           HE1      PHE  34   6.454  52.749  84.979
  237    HZ   PHE  34           HZ       PHE  34   8.730  51.770  85.041
  238    H    TYR  35           HN       TYR  35   4.359  52.683  91.551
  239    HA   TYR  35           HA       TYR  35   6.243  54.957  91.081
  240   1HB   TYR  35           HB2      TYR  35   3.226  54.824  91.216
  241   2HB   TYR  35           HB1      TYR  35   4.099  56.347  91.386
  242    HD1  TYR  35           HD1      TYR  35   3.250  53.582  89.094
  243    HD2  TYR  35           HD2      TYR  35   5.296  57.337  89.510
  244    HE1  TYR  35           HE1      TYR  35   3.449  53.748  86.627
  245    HE2  TYR  35           HE2      TYR  35   5.496  57.501  87.045
  246    HH   TYR  35           HH       TYR  35   4.298  56.605  85.043
  247    H    CYS  36           HN       CYS  36   6.274  53.082  93.372
  248    HA   CYS  36           HA       CYS  36   6.299  53.133  95.724
  249   1HB   CYS  36           HB2      CYS  36   6.586  56.124  95.484
  250   2HB   CYS  36           HB1      CYS  36   7.356  55.030  96.633
  251    H    ASP  37           HN       ASP  37   3.708  53.199  94.589
  252    HA   ASP  37           HA       ASP  37   2.219  55.246  96.135
  253   1HB   ASP  37           HB2      ASP  37   1.803  54.269  93.633
  254   2HB   ASP  37           HB1      ASP  37   0.737  53.218  94.567
  255    H    ARG  38           HN       ARG  38   3.553  52.418  96.971
  256    HA   ARG  38           HA       ARG  38   1.251  51.724  98.724
  257   1HB   ARG  38           HB2      ARG  38   2.620  50.052  96.779
  258   2HB   ARG  38           HB1      ARG  38   2.738  49.374  98.403
  259   1HG   ARG  38           HG2      ARG  38   0.076  50.440  97.658
  260   2HG   ARG  38           HG1      ARG  38   0.591  48.997  96.783
  261   1HD   ARG  38           HD2      ARG  38   1.068  47.875  98.944
  262   2HD   ARG  38           HD1      ARG  38   0.494  49.309  99.798
  263    HE   ARG  38           HE       ARG  38  -1.270  47.659  98.029
  264   1HH1  ARG  38          HH11      ARG  38  -2.314  50.321  98.882
  265   2HH1  ARG  38          HH12      ARG  38  -3.185  49.932 100.327
  266   1HH2  ARG  38          HH21      ARG  38  -1.674  46.837 100.725
  267   2HH2  ARG  38          HH22      ARG  38  -2.826  47.960 101.369
  268    H    CYS  39           HN       CYS  39   2.342  49.985 100.373
  269    HA   CYS  39           HA       CYS  39   4.740  51.356 101.519
  270   1HB   CYS  39           HB2      CYS  39   2.148  50.483 102.689
  271   2HB   CYS  39           HB1      CYS  39   3.555  50.189 103.697
  272    H    LYS  40           HN       LYS  40   6.482  49.964 102.066
  273    HA   LYS  40           HA       LYS  40   6.639  47.401 100.901
  274   1HB   LYS  40           HB2      LYS  40   8.694  48.392 101.509
  275   2HB   LYS  40           HB1      LYS  40   8.145  48.736 103.147
  276   1HG   LYS  40           HG2      LYS  40   8.149  46.339 103.677
  277   2HG   LYS  40           HG1      LYS  40   8.650  45.962 102.029
  278   1HD   LYS  40           HD2      LYS  40  10.614  47.653 102.588
  279   2HD   LYS  40           HD1      LYS  40  10.224  47.210 104.250
  280   1HE   LYS  40           HE2      LYS  40  11.543  45.401 103.928
  281   2HE   LYS  40           HE1      LYS  40  10.236  44.769 102.926
  282   1HZ   LYS  40           HZ3      LYS  40  12.350  46.557 101.875
  283   2HZ   LYS  40           HZ2      LYS  40  12.478  44.864 101.848
  284   3HZ   LYS  40           HZ1      LYS  40  11.232  45.638 100.991
  285    H    GLU  41           HN       GLU  41   6.372  45.303 101.721
  286    HA   GLU  41           HA       GLU  41   4.241  44.872 103.572
  287   1HB   GLU  41           HB2      GLU  41   4.775  42.519 103.376
  288   2HB   GLU  41           HB1      GLU  41   4.998  43.257 101.790
  289   1HG   GLU  41           HG2      GLU  41   7.476  43.611 102.673
  290   2HG   GLU  41           HG1      GLU  41   7.055  42.254 103.719
  291    H    GLY  42           HN       GLY  42   4.270  44.818 105.777
  292   1HA   GLY  42           HA2      GLY  42   5.516  43.894 107.794
  293   2HA   GLY  42           HA1      GLY  42   6.944  44.696 107.117
  294    H    PHE  43           HN       PHE  43   5.618  46.966 106.106
  295    HA   PHE  43           HA       PHE  43   4.548  48.238 108.567
  296   1HB   PHE  43           HB2      PHE  43   6.242  49.761 106.607
  297   2HB   PHE  43           HB1      PHE  43   5.781  50.184 108.258
  298    HD1  PHE  43           HD1      PHE  43   7.941  48.001 106.180
  299    HD2  PHE  43           HD2      PHE  43   6.985  49.308 110.158
  300    HE1  PHE  43           HE1      PHE  43  10.010  46.931 107.030
  301    HE2  PHE  43           HE2      PHE  43   9.053  48.238 111.010
  302    HZ   PHE  43           HZ       PHE  43  10.567  47.048 109.445
  303    H    PHE  44           HN       PHE  44   2.728  49.225 108.217
  304    HA   PHE  44           HA       PHE  44   1.847  49.717 105.404
  305   1HB   PHE  44           HB2      PHE  44  -0.010  49.421 107.770
  306   2HB   PHE  44           HB1      PHE  44  -0.388  49.256 106.057
  307    HD1  PHE  44           HD2      PHE  44   0.985  47.387 104.774
  308    HD2  PHE  44           HD1      PHE  44   0.380  47.489 109.026
  309    HE1  PHE  44           HE2      PHE  44   1.468  44.959 104.900
  310    HE2  PHE  44           HE1      PHE  44   0.865  45.060 109.151
  311    HZ   PHE  44           HZ       PHE  44   1.410  43.795 107.088
  312    H    GLY  45           HN       GLY  45  -0.183  51.471 105.715
  313   1HA   GLY  45           HA2      GLY  45  -0.512  53.517 107.314
  314   2HA   GLY  45           HA1      GLY  45   1.191  53.799 106.973
  315    H    ASN  46           HN       ASN  46   0.993  55.696 105.850
  316    HA   ASN  46           HA       ASN  46  -0.461  55.516 103.236
  317   1HB   ASN  46           HB2      ASN  46  -0.419  57.735 105.274
  318   2HB   ASN  46           HB1      ASN  46  -0.727  58.086 103.575
  319   1HD2  ASN  46          HD22      ASN  46  -3.774  56.824 105.767
  320   2HD2  ASN  46          HD21      ASN  46  -2.367  57.549 106.379
  321    HA   PRO  47           HA       PRO  47   3.841  56.493 102.264
  322   1HB   PRO  47           HB2      PRO  47   3.689  55.605  99.666
  323   2HB   PRO  47           HB1      PRO  47   4.005  54.549 101.051
  324   1HG   PRO  47           HG2      PRO  47   1.487  54.872  99.475
  325   2HG   PRO  47           HG1      PRO  47   2.086  53.457 100.358
  326   1HD   PRO  47           HD2      PRO  47   0.087  55.219 101.268
  327   2HD   PRO  47           HD1      PRO  47   0.983  54.066 102.282
  328    H    LEU  48           HN       LEU  48   0.894  57.748 101.226
  329    HA   LEU  48           HA       LEU  48   2.243  59.803  99.520
  330   1HB   LEU  48           HB2      LEU  48  -0.258  58.378  99.260
  331   2HB   LEU  48           HB1      LEU  48  -0.567  60.111  99.370
  332    HG   LEU  48           HG       LEU  48  -0.154  59.254  97.019
  333   1HD1  LEU  48          HD11      LEU  48   1.512  61.400  98.321
  334   2HD1  LEU  48          HD13      LEU  48   1.661  61.079  96.593
  335   3HD1  LEU  48          HD12      LEU  48   0.110  61.577  97.268
  336   1HD2  LEU  48          HD22      LEU  48   2.100  58.101  98.336
  337   2HD2  LEU  48          HD21      LEU  48   1.661  57.976  96.632
  338   3HD2  LEU  48          HD23      LEU  48   2.711  59.285  97.178
  339    H    ALA  49           HN       ALA  49   2.429  59.862 102.385
  340    HA   ALA  49           HA       ALA  49   0.481  61.915 103.256
  341   1HB   ALA  49           HB1      ALA  49   2.745  60.543 104.748
  342   2HB   ALA  49           HB3      ALA  49   1.558  61.630 105.470
  343   3HB   ALA  49           HB2      ALA  49   1.045  60.077 104.810
  344    HA   PRO  50           HA       PRO  50   3.271  65.242 102.592
  345   1HB   PRO  50           HB2      PRO  50   2.517  66.925 104.636
  346   2HB   PRO  50           HB1      PRO  50   1.561  66.679 103.164
  347   1HG   PRO  50           HG2      PRO  50   1.083  65.620 105.915
  348   2HG   PRO  50           HG1      PRO  50  -0.085  65.982 104.633
  349   1HD   PRO  50           HD2      PRO  50   0.830  63.412 105.320
  350   2HD   PRO  50           HD1      PRO  50  -0.001  63.842 103.811
  351    H    ASN  51           HN       ASN  51   3.286  63.460 105.541
  352    HA   ASN  51           HA       ASN  51   5.794  64.780 106.444
  353   1HB   ASN  51           HB2      ASN  51   3.619  63.313 107.765
  354   2HB   ASN  51           HB1      ASN  51   5.226  62.816 108.297
  355   1HD2  ASN  51          HD22      ASN  51   4.708  65.609 110.523
  356   2HD2  ASN  51          HD21      ASN  51   4.453  63.936 110.398
  357    HA   PRO  52           HA       PRO  52   8.016  61.387 104.646
  358   1HB   PRO  52           HB2      PRO  52  10.457  61.973 105.773
  359   2HB   PRO  52           HB1      PRO  52   9.783  62.835 104.379
  360   1HG   PRO  52           HG2      PRO  52   9.979  63.726 107.223
  361   2HG   PRO  52           HG1      PRO  52   9.974  64.694 105.739
  362   1HD   PRO  52           HD2      PRO  52   7.774  64.354 107.461
  363   2HD   PRO  52           HD1      PRO  52   7.697  64.949 105.788
  364    H    ALA  53           HN       ALA  53   7.692  61.942 108.092
  365    HA   ALA  53           HA       ALA  53   8.781  59.218 108.648
  366   1HB   ALA  53           HB1      ALA  53   8.832  61.737 110.076
  367   2HB   ALA  53           HB3      ALA  53   8.100  60.479 111.073
  368   3HB   ALA  53           HB2      ALA  53   9.720  60.252 110.415
  369    H    ASP  54           HN       ASP  54   5.888  60.668 107.956
  370    HA   ASP  54           HA       ASP  54   4.352  58.903 109.814
  371   1HB   ASP  54           HB2      ASP  54   3.698  61.451 108.353
  372   2HB   ASP  54           HB1      ASP  54   2.403  60.370 108.865
  373    H    LYS  55           HN       LYS  55   5.531  58.964 106.700
  374    HA   LYS  55           HA       LYS  55   3.326  58.113 105.144
  375   1HB   LYS  55           HB2      LYS  55   6.282  57.563 104.910
  376   2HB   LYS  55           HB1      LYS  55   5.122  56.970 103.718
  377   1HG   LYS  55           HG2      LYS  55   4.476  59.150 103.081
  378   2HG   LYS  55           HG1      LYS  55   5.159  59.872 104.537
  379   1HD   LYS  55           HD2      LYS  55   7.354  59.704 103.750
  380   2HD   LYS  55           HD1      LYS  55   6.950  58.422 102.607
  381   1HE   LYS  55           HE2      LYS  55   6.808  60.020 101.022
  382   2HE   LYS  55           HE1      LYS  55   5.344  60.576 101.831
  383   1HZ   LYS  55           HZ1      LYS  55   8.103  61.470 102.474
  384   2HZ   LYS  55           HZ3      LYS  55   6.974  62.354 101.567
  385   3HZ   LYS  55           HZ2      LYS  55   6.675  62.028 103.207
  386    H    CYS  56           HN       CYS  56   5.623  55.526 105.125
  387    HA   CYS  56           HA       CYS  56   3.548  53.624 105.863
  388   1HB   CYS  56           HB2      CYS  56   6.530  53.243 105.424
  389   2HB   CYS  56           HB1      CYS  56   5.365  51.935 105.612
  390    H    LYS  57           HN       LYS  57   4.345  51.841 107.577
  391    HA   LYS  57           HA       LYS  57   6.039  52.316 109.703
  392   1HB   LYS  57           HB2      LYS  57   3.722  54.143 109.773
  393   2HB   LYS  57           HB1      LYS  57   3.996  53.263 111.275
  394   1HG   LYS  57           HG2      LYS  57   6.485  54.263 110.115
  395   2HG   LYS  57           HG1      LYS  57   5.344  55.560 110.471
  396   1HD   LYS  57           HD2      LYS  57   5.436  53.577 112.609
  397   2HD   LYS  57           HD1      LYS  57   7.017  54.298 112.310
  398   1HE   LYS  57           HE2      LYS  57   5.729  55.609 113.969
  399   2HE   LYS  57           HE1      LYS  57   6.049  56.549 112.512
  400   1HZ   LYS  57           HZ3      LYS  57   3.739  55.410 111.864
  401   2HZ   LYS  57           HZ2      LYS  57   3.537  55.529 113.547
  402   3HZ   LYS  57           HZ1      LYS  57   3.851  56.922 112.626
  403    H    ALA  58           HN       ALA  58   5.640  50.899 111.505
  404    HA   ALA  58           HA       ALA  58   4.097  48.566 110.849
  405   1HB   ALA  58           HB2      ALA  58   5.326  49.466 113.472
  406   2HB   ALA  58           HB1      ALA  58   4.641  47.865 113.193
  407   3HB   ALA  58           HB3      ALA  58   6.059  48.388 112.283
   
  No H/Q in entry =         407
  Start of MODEL    3
    1   1H    ARG   1           HT3      ARG   1  13.879  67.110  81.986
    2   2H    ARG   1           HT2      ARG   1  15.175  68.073  82.515
    3   3H    ARG   1           HT1      ARG   1  15.179  67.426  80.944
    4    HA   ARG   1           HA       ARG   1  16.586  65.978  81.990
    5   1HB   ARG   1           HB2      ARG   1  16.145  65.200  84.339
    6   2HB   ARG   1           HB1      ARG   1  16.407  66.940  84.212
    7   1HG   ARG   1           HG2      ARG   1  13.667  66.649  83.800
    8   2HG   ARG   1           HG1      ARG   1  14.029  65.487  85.077
    9   1HD   ARG   1           HD2      ARG   1  13.944  67.247  86.495
   10   2HD   ARG   1           HD1      ARG   1  15.507  67.710  85.819
   11    HE   ARG   1           HE       ARG   1  13.401  68.714  84.148
   12   1HH1  ARG   1          HH21      ARG   1  13.950  69.006  87.471
   13   2HH1  ARG   1          HH22      ARG   1  14.023  70.737  87.477
   14   1HH2  ARG   1          HH11      ARG   1  13.913  71.011  84.020
   15   2HH2  ARG   1          HH12      ARG   1  14.000  71.873  85.520
   16    HA   PRO   2           HA       PRO   2  14.216  62.453  80.868
   17   1HB   PRO   2           HB2      PRO   2  15.789  60.450  81.900
   18   2HB   PRO   2           HB1      PRO   2  16.205  61.374  80.447
   19   1HG   PRO   2           HG2      PRO   2  17.352  61.578  83.193
   20   2HG   PRO   2           HG1      PRO   2  18.102  61.954  81.633
   21   1HD   PRO   2           HD2      PRO   2  17.058  63.842  83.455
   22   2HD   PRO   2           HD1      PRO   2  17.477  64.153  81.756
   23    H    CYS   3           HN       CYS   3  12.466  61.388  81.736
   24    HA   CYS   3           HA       CYS   3  10.984  60.527  83.333
   25   1HB   CYS   3           HB2      CYS   3  13.348  60.178  85.171
   26   2HB   CYS   3           HB1      CYS   3  11.885  59.200  85.064
   27    H    GLN   4           HN       GLN   4  10.543  60.789  85.893
   28    HA   GLN   4           HA       GLN   4  11.418  63.134  87.238
   29   1HB   GLN   4           HB2      GLN   4  10.135  64.052  85.140
   30   2HB   GLN   4           HB1      GLN   4   8.693  63.596  86.050
   31   1HG   GLN   4           HG2      GLN   4   9.117  65.131  87.754
   32   2HG   GLN   4           HG1      GLN   4  10.844  65.192  87.406
   33   1HE2  GLN   4          HE22      GLN   4   8.273  67.528  85.223
   34   2HE2  GLN   4          HE21      GLN   4   7.658  66.237  86.137
   35    H    CYS   5           HN       CYS   5  10.828  62.772  89.342
   36    HA   CYS   5           HA       CYS   5   8.196  61.515  89.891
   37   1HB   CYS   5           HB2      CYS   5  10.294  59.857  89.736
   38   2HB   CYS   5           HB1      CYS   5  10.520  60.408  91.396
   39    H    ASN   6           HN       ASN   6   7.934  61.400  92.414
   40    HA   ASN   6           HA       ASN   6   9.438  63.351  93.968
   41   1HB   ASN   6           HB2      ASN   6   6.709  64.028  92.863
   42   2HB   ASN   6           HB1      ASN   6   7.295  64.759  94.355
   43   1HD2  ASN   6          HD22      ASN   6   8.645  66.137  90.819
   44   2HD2  ASN   6          HD21      ASN   6   7.398  64.993  90.930
   45    H    ASP   7           HN       ASP   7   7.542  63.883  95.938
   46    HA   ASP   7           HA       ASP   7   6.448  62.936  97.766
   47   1HB   ASP   7           HB2      ASP   7   5.778  61.005  95.572
   48   2HB   ASP   7           HB1      ASP   7   5.385  60.585  97.238
   49    H    ASN   8           HN       ASN   8   7.451  59.796  96.428
   50    HA   ASN   8           HA       ASN   8   9.299  59.584  98.778
   51   1HB   ASN   8           HB2      ASN   8   8.071  57.224  97.360
   52   2HB   ASN   8           HB1      ASN   8   8.747  57.306  98.988
   53   1HD2  ASN   8          HD22      ASN   8   5.754  59.491  99.866
   54   2HD2  ASN   8          HD21      ASN   8   7.398  59.862  99.666
   55    H    ILE   9           HN       ILE   9  10.698  60.693  96.943
   56    HA   ILE   9           HA       ILE   9  12.348  58.503  95.822
   57    HB   ILE   9           HB       ILE   9  12.638  59.956  93.712
   58   1HG1  ILE   9          HG12      ILE   9   9.974  60.995  93.767
   59   2HG1  ILE   9          HG11      ILE   9  10.812  61.569  95.209
   60   1HG2  ILE   9          HG21      ILE   9  10.247  58.317  94.466
   61   2HG2  ILE   9          HG23      ILE   9  10.257  59.126  92.899
   62   3HG2  ILE   9          HG22      ILE   9  11.522  57.965  93.299
   63   1HD1  ILE   9          HD13      ILE   9  12.701  62.327  93.782
   64   2HD1  ILE   9          HD12      ILE   9  11.803  61.814  92.353
   65   3HD1  ILE   9          HD11      ILE   9  11.188  63.129  93.357
   66    H    ASP  10           HN       ASP  10  14.516  59.568  94.963
   67    HA   ASP  10           HA       ASP  10  15.285  61.583  97.020
   68   1HB   ASP  10           HB2      ASP  10  16.702  59.320  95.693
   69   2HB   ASP  10           HB1      ASP  10  17.662  60.724  96.159
   70    HA   PRO  11           HA       PRO  11  15.747  64.406  93.594
   71   1HB   PRO  11           HB2      PRO  11  16.677  66.494  95.105
   72   2HB   PRO  11           HB1      PRO  11  14.967  66.045  94.997
   73   1HG   PRO  11           HG2      PRO  11  16.893  65.596  97.232
   74   2HG   PRO  11           HG1      PRO  11  15.133  65.791  97.290
   75   1HD   PRO  11           HD2      PRO  11  16.510  63.342  97.473
   76   2HD   PRO  11           HD1      PRO  11  14.776  63.537  97.133
   77    H    ASN  12           HN       ASN  12  18.150  62.932  95.356
   78    HA   ASN  12           HA       ASN  12  20.423  64.548  94.508
   79   1HB   ASN  12           HB2      ASN  12  20.133  61.825  95.779
   80   2HB   ASN  12           HB1      ASN  12  21.703  62.422  95.239
   81   1HD2  ASN  12          HD22      ASN  12  21.527  65.238  97.629
   82   2HD2  ASN  12          HD21      ASN  12  21.792  65.039  95.965
   83    H    ALA  13           HN       ALA  13  19.699  61.111  93.733
   84    HA   ALA  13           HA       ALA  13  21.333  61.007  91.431
   85   1HB   ALA  13           HB2      ALA  13  19.297  59.353  92.646
   86   2HB   ALA  13           HB1      ALA  13  19.087  59.373  90.896
   87   3HB   ALA  13           HB3      ALA  13  20.627  58.872  91.593
   88    H    VAL  14           HN       VAL  14  20.590  60.994  89.114
   89    HA   VAL  14           HA       VAL  14  18.505  63.099  88.724
   90    HB   VAL  14           HB       VAL  14  20.942  62.338  87.103
   91   1HG1  VAL  14          HG12      VAL  14  18.485  63.898  86.331
   92   2HG1  VAL  14          HG11      VAL  14  20.052  64.315  85.638
   93   3HG1  VAL  14          HG13      VAL  14  19.379  62.704  85.391
   94   1HG2  VAL  14          HG22      VAL  14  19.978  64.857  88.490
   95   2HG2  VAL  14          HG21      VAL  14  21.391  63.889  88.905
   96   3HG2  VAL  14          HG23      VAL  14  21.367  64.815  87.405
   97    H    GLY  15           HN       GLY  15  16.610  62.298  88.012
   98   1HA   GLY  15           HA2      GLY  15  15.386  61.280  86.131
   99   2HA   GLY  15           HA1      GLY  15  16.673  60.076  86.016
  100    H    ASN  16           HN       ASN  16  16.931  59.493  88.797
  101    HA   ASN  16           HA       ASN  16  16.044  57.796  90.181
  102   1HB   ASN  16           HB2      ASN  16  13.973  59.996  90.127
  103   2HB   ASN  16           HB1      ASN  16  13.814  58.598  91.189
  104   1HD2  ASN  16          HD22      ASN  16  16.984  61.145  91.860
  105   2HD2  ASN  16          HD21      ASN  16  16.424  60.927  90.272
  106    H    CYS  17           HN       CYS  17  15.403  57.460  87.249
  107    HA   CYS  17           HA       CYS  17  12.892  55.885  87.625
  108   1HB   CYS  17           HB2      CYS  17  12.184  56.433  85.413
  109   2HB   CYS  17           HB1      CYS  17  12.695  57.949  86.153
  110    H    ASN  18           HN       ASN  18  12.712  54.142  85.818
  111    HA   ASN  18           HA       ASN  18  15.026  52.416  86.004
  112   1HB   ASN  18           HB2      ASN  18  12.972  51.949  83.871
  113   2HB   ASN  18           HB1      ASN  18  13.730  50.787  84.944
  114   1HD2  ASN  18          HD22      ASN  18  11.079  50.899  87.259
  115   2HD2  ASN  18          HD21      ASN  18  12.494  50.124  86.730
  116    H    ARG  19           HN       ARG  19  16.812  52.457  84.671
  117    HA   ARG  19           HA       ARG  19  17.170  54.440  82.678
  118   1HB   ARG  19           HB2      ARG  19  18.704  52.320  83.823
  119   2HB   ARG  19           HB1      ARG  19  18.848  52.216  82.067
  120   1HG   ARG  19           HG2      ARG  19  19.935  54.223  81.898
  121   2HG   ARG  19           HG1      ARG  19  19.029  54.941  83.230
  122   1HD   ARG  19           HD2      ARG  19  20.462  52.972  84.512
  123   2HD   ARG  19           HD1      ARG  19  21.597  53.508  83.273
  124    HE   ARG  19           HE       ARG  19  21.902  55.429  84.580
  125   1HH1  ARG  19          HH21      ARG  19  19.784  53.798  86.414
  126   2HH1  ARG  19          HH22      ARG  19  18.833  55.151  86.929
  127   1HH2  ARG  19          HH11      ARG  19  20.224  57.343  84.631
  128   2HH2  ARG  19          HH12      ARG  19  19.083  57.159  85.920
  129    H    LEU  20           HN       LEU  20  15.589  51.350  82.453
  130    HA   LEU  20           HA       LEU  20  15.679  51.556  79.475
  131   1HB   LEU  20           HB2      LEU  20  14.910  49.162  79.509
  132   2HB   LEU  20           HB1      LEU  20  16.501  49.427  80.220
  133    HG   LEU  20           HG       LEU  20  14.651  49.774  82.322
  134   1HD1  LEU  20          HD12      LEU  20  13.502  48.134  80.326
  135   2HD1  LEU  20          HD11      LEU  20  14.064  47.045  81.595
  136   3HD1  LEU  20          HD13      LEU  20  12.943  48.348  81.985
  137   1HD2  LEU  20          HD23      LEU  20  17.031  48.438  81.781
  138   2HD2  LEU  20          HD22      LEU  20  16.177  48.439  83.326
  139   3HD2  LEU  20          HD21      LEU  20  15.903  47.138  82.168
  140    H    THR  21           HN       THR  21  13.329  51.020  82.146
  141    HA   THR  21           HA       THR  21  11.099  51.110  80.248
  142    HB   THR  21           HB       THR  21  10.057  51.454  82.814
  143    HG1  THR  21           HG1      THR  21  11.506  49.444  83.543
  144   1HG2  THR  21          HG22      THR  21   9.549  49.833  80.837
  145   2HG2  THR  21          HG21      THR  21  10.670  48.747  81.656
  146   3HG2  THR  21          HG23      THR  21   9.211  49.294  82.481
  147    H    GLY  22           HN       GLY  22  12.677  53.344  82.498
  148   1HA   GLY  22           HA2      GLY  22  12.526  55.707  82.521
  149   2HA   GLY  22           HA1      GLY  22  11.420  55.607  81.149
  150    H    GLU  23           HN       GLU  23  11.469  54.781  84.652
  151    HA   GLU  23           HA       GLU  23   8.957  56.218  85.066
  152   1HB   GLU  23           HB2      GLU  23   8.951  53.396  84.447
  153   2HB   GLU  23           HB1      GLU  23   8.403  53.634  86.106
  154   1HG   GLU  23           HG2      GLU  23   6.393  53.970  85.046
  155   2HG   GLU  23           HG1      GLU  23   7.018  55.614  84.927
  156    H    CYS  24           HN       CYS  24   8.427  56.283  87.429
  157    HA   CYS  24           HA       CYS  24  10.614  56.711  89.112
  158   1HB   CYS  24           HB2      CYS  24   7.866  55.691  89.904
  159   2HB   CYS  24           HB1      CYS  24   9.034  56.420  91.006
  160    H    LEU  25           HN       LEU  25  12.214  55.268  89.507
  161    HA   LEU  25           HA       LEU  25  11.422  52.462  90.184
  162   1HB   LEU  25           HB2      LEU  25  12.398  52.469  87.995
  163   2HB   LEU  25           HB1      LEU  25  13.727  53.493  88.516
  164    HG   LEU  25           HG       LEU  25  14.576  51.698  89.911
  165   1HD1  LEU  25          HD11      LEU  25  12.153  50.206  88.870
  166   2HD1  LEU  25          HD13      LEU  25  13.483  49.435  89.733
  167   3HD1  LEU  25          HD12      LEU  25  12.478  50.631  90.551
  168   1HD2  LEU  25          HD23      LEU  25  14.012  51.179  87.025
  169   2HD2  LEU  25          HD22      LEU  25  15.551  51.518  87.819
  170   3HD2  LEU  25          HD21      LEU  25  14.807  49.926  87.979
  171    H    LYS  26           HN       LYS  26  12.468  55.167  91.621
  172    HA   LYS  26           HA       LYS  26  14.392  53.663  93.357
  173   1HB   LYS  26           HB2      LYS  26  14.555  56.375  92.153
  174   2HB   LYS  26           HB1      LYS  26  15.174  56.187  93.791
  175   1HG   LYS  26           HG2      LYS  26  17.032  55.727  92.382
  176   2HG   LYS  26           HG1      LYS  26  16.453  54.146  92.906
  177   1HD   LYS  26           HD2      LYS  26  14.937  54.571  90.658
  178   2HD   LYS  26           HD1      LYS  26  16.460  55.342  90.215
  179   1HE   LYS  26           HE2      LYS  26  16.483  52.622  91.491
  180   2HE   LYS  26           HE1      LYS  26  16.150  52.780  89.766
  181   1HZ   LYS  26           HZ2      LYS  26  18.234  54.266  89.786
  182   2HZ   LYS  26           HZ1      LYS  26  18.591  53.487  91.253
  183   3HZ   LYS  26           HZ3      LYS  26  18.431  52.579  89.830
  184    H    CYS  27           HN       CYS  27  11.927  53.382  94.323
  185    HA   CYS  27           HA       CYS  27  10.788  55.537  95.790
  186   1HB   CYS  27           HB2      CYS  27  10.854  52.555  96.342
  187   2HB   CYS  27           HB1      CYS  27   9.936  53.689  97.331
  188    H    ILE  28           HN       ILE  28  11.234  56.294  97.959
  189    HA   ILE  28           HA       ILE  28  13.915  55.398  98.910
  190    HB   ILE  28           HB       ILE  28  13.464  57.742 100.259
  191   1HG1  ILE  28          HG12      ILE  28  13.019  59.227  98.130
  192   2HG1  ILE  28          HG11      ILE  28  12.077  57.842  97.618
  193   1HG2  ILE  28          HG22      ILE  28  15.313  56.685  98.506
  194   2HG2  ILE  28          HG21      ILE  28  14.718  58.090  97.624
  195   3HG2  ILE  28          HG23      ILE  28  15.413  58.290  99.231
  196   1HD1  ILE  28          HD12      ILE  28  11.698  58.750 100.407
  197   2HD1  ILE  28          HD11      ILE  28  11.087  59.817  99.143
  198   3HD1  ILE  28          HD13      ILE  28  10.510  58.154  99.248
  199    H    TYR  29           HN       TYR  29  11.035  56.796 100.458
  200    HA   TYR  29           HA       TYR  29  11.733  55.716 103.041
  201   1HB   TYR  29           HB2      TYR  29   9.081  56.794 102.058
  202   2HB   TYR  29           HB1      TYR  29   9.478  56.461 103.743
  203    HD1  TYR  29           HD2      TYR  29  11.868  57.528 104.485
  204    HD2  TYR  29           HD1      TYR  29   9.307  58.970 101.355
  205    HE1  TYR  29           HE2      TYR  29  12.927  59.765 104.638
  206    HE2  TYR  29           HE1      TYR  29  10.362  61.204 101.505
  207    HH   TYR  29           HH       TYR  29  11.671  62.476 103.571
  208    H    ASN  30           HN       ASN  30  11.957  53.372 102.100
  209    HA   ASN  30           HA       ASN  30  11.045  51.223 101.694
  210   1HB   ASN  30           HB2      ASN  30   9.449  50.842 103.872
  211   2HB   ASN  30           HB1      ASN  30  11.209  50.764 103.916
  212   1HD2  ASN  30          HD21      ASN  30   8.480  52.443 105.187
  213   2HD2  ASN  30          HD22      ASN  30   9.327  53.710 105.935
  214    H    THR  31           HN       THR  31   9.712  52.399  99.898
  215    HA   THR  31           HA       THR  31   6.811  51.894 100.491
  216    HB   THR  31           HB       THR  31   6.469  53.554  98.522
  217    HG1  THR  31           HG1      THR  31   9.031  54.369  99.405
  218   1HG2  THR  31          HG23      THR  31   7.262  54.134 101.342
  219   2HG2  THR  31          HG22      THR  31   7.046  55.498 100.245
  220   3HG2  THR  31          HG21      THR  31   5.713  54.382 100.539
  221    H    ALA  32           HN       ALA  32   5.575  51.066  98.620
  222    HA   ALA  32           HA       ALA  32   7.348  49.559  96.735
  223   1HB   ALA  32           HB1      ALA  32   6.177  48.104  98.364
  224   2HB   ALA  32           HB3      ALA  32   4.631  48.750  97.813
  225   3HB   ALA  32           HB2      ALA  32   5.632  47.801  96.713
  226    H    GLY  33           HN       GLY  33   5.625  48.693  94.877
  227   1HA   GLY  33           HA2      GLY  33   4.063  49.330  93.197
  228   2HA   GLY  33           HA1      GLY  33   3.851  50.879  94.010
  229    H    PHE  34           HN       PHE  34   4.441  50.270  91.160
  230    HA   PHE  34           HA       PHE  34   7.113  50.798  90.451
  231   1HB   PHE  34           HB2      PHE  34   4.785  50.452  89.048
  232   2HB   PHE  34           HB1      PHE  34   5.042  52.176  88.808
  233    HD1  PHE  34           HD1      PHE  34   7.849  52.573  88.522
  234    HD2  PHE  34           HD2      PHE  34   5.501  49.231  87.182
  235    HE1  PHE  34           HE1      PHE  34   9.551  52.069  86.797
  236    HE2  PHE  34           HE2      PHE  34   7.206  48.730  85.459
  237    HZ   PHE  34           HZ       PHE  34   9.229  50.148  85.264
  238    H    TYR  35           HN       TYR  35   4.593  53.069  91.519
  239    HA   TYR  35           HA       TYR  35   6.639  55.247  91.354
  240   1HB   TYR  35           HB2      TYR  35   3.694  55.184  90.872
  241   2HB   TYR  35           HB1      TYR  35   4.354  56.629  91.638
  242    HD1  TYR  35           HD1      TYR  35   5.671  54.305  89.003
  243    HD2  TYR  35           HD2      TYR  35   4.598  58.328  90.059
  244    HE1  TYR  35           HE1      TYR  35   6.482  55.100  86.800
  245    HE2  TYR  35           HE2      TYR  35   5.409  59.123  87.854
  246    HH   TYR  35           HH       TYR  35   5.701  57.613  85.354
  247    H    CYS  36           HN       CYS  36   6.449  53.361  93.555
  248    HA   CYS  36           HA       CYS  36   6.274  53.354  95.902
  249   1HB   CYS  36           HB2      CYS  36   6.322  56.366  95.724
  250   2HB   CYS  36           HB1      CYS  36   7.014  55.330  96.973
  251    H    ASP  37           HN       ASP  37   3.842  53.024  94.730
  252    HA   ASP  37           HA       ASP  37   1.975  55.019  95.863
  253   1HB   ASP  37           HB2      ASP  37   1.761  52.746  93.927
  254   2HB   ASP  37           HB1      ASP  37   0.308  53.265  94.781
  255    H    ARG  38           HN       ARG  38   3.498  52.205  96.925
  256    HA   ARG  38           HA       ARG  38   1.325  51.790  98.920
  257   1HB   ARG  38           HB2      ARG  38   2.046  49.953  96.974
  258   2HB   ARG  38           HB1      ARG  38   2.954  49.417  98.389
  259   1HG   ARG  38           HG2      ARG  38   0.874  48.325  98.618
  260   2HG   ARG  38           HG1      ARG  38   0.730  49.725  99.681
  261   1HD   ARG  38           HD2      ARG  38  -1.196  50.116  98.534
  262   2HD   ARG  38           HD1      ARG  38  -0.121  50.777  97.302
  263    HE   ARG  38           HE       ARG  38  -0.280  48.628  96.112
  264   1HH1  ARG  38          HH21      ARG  38  -0.994  46.367  97.141
  265   2HH1  ARG  38          HH22      ARG  38  -2.704  46.328  97.413
  266   1HH2  ARG  38          HH11      ARG  38  -3.084  49.768  97.190
  267   2HH2  ARG  38          HH12      ARG  38  -3.887  48.254  97.441
  268    H    CYS  39           HN       CYS  39   2.570  50.002 100.521
  269    HA   CYS  39           HA       CYS  39   5.036  51.416 101.458
  270   1HB   CYS  39           HB2      CYS  39   2.581  50.445 102.888
  271   2HB   CYS  39           HB1      CYS  39   4.094  50.452 103.775
  272    H    LYS  40           HN       LYS  40   6.818  50.011 101.900
  273    HA   LYS  40           HA       LYS  40   6.842  47.419 100.801
  274   1HB   LYS  40           HB2      LYS  40   8.965  48.323 101.202
  275   2HB   LYS  40           HB1      LYS  40   8.548  48.830 102.837
  276   1HG   LYS  40           HG2      LYS  40   8.527  46.489 103.579
  277   2HG   LYS  40           HG1      LYS  40   8.891  45.952 101.939
  278   1HD   LYS  40           HD2      LYS  40  10.952  47.551 102.151
  279   2HD   LYS  40           HD1      LYS  40  10.658  47.414 103.884
  280   1HE   LYS  40           HE2      LYS  40  11.665  45.404 103.908
  281   2HE   LYS  40           HE1      LYS  40  10.492  44.795 102.740
  282   1HZ   LYS  40           HZ1      LYS  40  12.727  46.477 101.829
  283   2HZ   LYS  40           HZ3      LYS  40  12.991  44.830 102.136
  284   3HZ   LYS  40           HZ2      LYS  40  11.847  45.302 100.973
  285    H    GLU  41           HN       GLU  41   6.682  45.337 101.729
  286    HA   GLU  41           HA       GLU  41   4.618  44.923 103.635
  287   1HB   GLU  41           HB2      GLU  41   5.979  43.321 101.896
  288   2HB   GLU  41           HB1      GLU  41   6.665  42.795 103.434
  289   1HG   GLU  41           HG2      GLU  41   3.797  43.127 103.668
  290   2HG   GLU  41           HG1      GLU  41   4.187  42.026 102.345
  291    H    GLY  42           HN       GLY  42   4.658  45.086 105.848
  292   1HA   GLY  42           HA2      GLY  42   5.921  44.299 107.912
  293   2HA   GLY  42           HA1      GLY  42   7.343  45.052 107.172
  294    H    PHE  43           HN       PHE  43   5.853  47.232 106.021
  295    HA   PHE  43           HA       PHE  43   4.976  48.666 108.470
  296   1HB   PHE  43           HB2      PHE  43   6.460  50.021 106.230
  297   2HB   PHE  43           HB1      PHE  43   6.085  50.628 107.842
  298    HD1  PHE  43           HD2      PHE  43   7.057  49.239 109.848
  299    HD2  PHE  43           HD1      PHE  43   8.559  49.046 105.827
  300    HE1  PHE  43           HE2      PHE  43   9.204  48.330 110.695
  301    HE2  PHE  43           HE1      PHE  43  10.705  48.136 106.675
  302    HZ   PHE  43           HZ       PHE  43  11.029  47.779 109.107
  303    H    PHE  44           HN       PHE  44   3.106  49.573 108.244
  304    HA   PHE  44           HA       PHE  44   1.895  49.841 105.524
  305   1HB   PHE  44           HB2      PHE  44   0.119  49.926 107.904
  306   2HB   PHE  44           HB1      PHE  44  -0.126  49.138 106.348
  307    HD1  PHE  44           HD2      PHE  44   1.364  47.044 105.853
  308    HD2  PHE  44           HD1      PHE  44   0.692  48.652 109.778
  309    HE1  PHE  44           HE2      PHE  44   2.021  44.872 106.855
  310    HE2  PHE  44           HE1      PHE  44   1.347  46.481 110.781
  311    HZ   PHE  44           HZ       PHE  44   2.012  44.591 109.320
  312    H    GLY  45           HN       GLY  45   0.003  51.640 105.713
  313   1HA   GLY  45           HA2      GLY  45  -0.272  53.781 107.237
  314   2HA   GLY  45           HA1      GLY  45   1.398  54.051 106.756
  315    H    ASN  46           HN       ASN  46   1.035  55.900 105.567
  316    HA   ASN  46           HA       ASN  46  -0.484  55.511 103.017
  317   1HB   ASN  46           HB2      ASN  46  -0.765  57.643 105.076
  318   2HB   ASN  46           HB1      ASN  46  -0.805  58.161 103.390
  319   1HD2  ASN  46          HD22      ASN  46  -4.151  57.154 103.059
  320   2HD2  ASN  46          HD21      ASN  46  -2.916  58.238 102.630
  321    HA   PRO  47           HA       PRO  47   3.701  56.773 101.903
  322   1HB   PRO  47           HB2      PRO  47   3.504  55.903  99.301
  323   2HB   PRO  47           HB1      PRO  47   3.932  54.862 100.667
  324   1HG   PRO  47           HG2      PRO  47   1.342  55.051  99.189
  325   2HG   PRO  47           HG1      PRO  47   2.058  53.664 100.029
  326   1HD   PRO  47           HD2      PRO  47  -0.004  55.276 101.041
  327   2HD   PRO  47           HD1      PRO  47   1.017  54.192 102.011
  328    H    LEU  48           HN       LEU  48   0.737  58.061 101.134
  329    HA   LEU  48           HA       LEU  48   1.988  60.102  99.332
  330   1HB   LEU  48           HB2      LEU  48  -0.291  58.567  98.874
  331   2HB   LEU  48           HB1      LEU  48  -0.932  60.121  99.411
  332    HG   LEU  48           HG       LEU  48  -0.561  60.013  96.933
  333   1HD1  LEU  48          HD13      LEU  48   1.208  61.959  98.447
  334   2HD1  LEU  48          HD12      LEU  48   0.637  62.170  96.792
  335   3HD1  LEU  48          HD11      LEU  48  -0.514  62.172  98.128
  336   1HD2  LEU  48          HD22      LEU  48   1.630  58.601  97.410
  337   2HD2  LEU  48          HD21      LEU  48   1.546  59.667  96.007
  338   3HD2  LEU  48          HD23      LEU  48   2.385  60.193  97.467
  339    H    ALA  49           HN       ALA  49   2.286  60.235 102.162
  340    HA   ALA  49           HA       ALA  49   0.374  62.401 102.914
  341   1HB   ALA  49           HB1      ALA  49   2.151  60.672 104.664
  342   2HB   ALA  49           HB3      ALA  49   1.052  61.921 105.247
  343   3HB   ALA  49           HB2      ALA  49   0.410  60.479 104.460
  344    HA   PRO  50           HA       PRO  50   3.708  65.269 102.822
  345   1HB   PRO  50           HB2      PRO  50   2.850  67.049 104.735
  346   2HB   PRO  50           HB1      PRO  50   2.146  66.938 103.113
  347   1HG   PRO  50           HG2      PRO  50   1.032  65.986 105.712
  348   2HG   PRO  50           HG1      PRO  50   0.181  66.489 104.242
  349   1HD   PRO  50           HD2      PRO  50   0.609  63.821 105.064
  350   2HD   PRO  50           HD1      PRO  50   0.094  64.345 103.446
  351    H    ASN  51           HN       ASN  51   2.978  63.470 105.660
  352    HA   ASN  51           HA       ASN  51   5.399  64.471 107.069
  353   1HB   ASN  51           HB2      ASN  51   3.074  62.748 107.936
  354   2HB   ASN  51           HB1      ASN  51   4.516  62.954 108.928
  355   1HD2  ASN  51          HD22      ASN  51   3.240  66.699 108.384
  356   2HD2  ASN  51          HD21      ASN  51   4.125  65.834 107.225
  357    HA   PRO  52           HA       PRO  52   7.507  60.831 105.597
  358   1HB   PRO  52           HB2      PRO  52   9.813  61.219 107.043
  359   2HB   PRO  52           HB1      PRO  52   9.430  62.094 105.551
  360   1HG   PRO  52           HG2      PRO  52   9.335  63.062 108.372
  361   2HG   PRO  52           HG1      PRO  52   9.609  63.974 106.878
  362   1HD   PRO  52           HD2      PRO  52   7.178  63.877 108.314
  363   2HD   PRO  52           HD1      PRO  52   7.382  64.455 106.644
  364    H    ALA  53           HN       ALA  53   6.802  61.558 108.959
  365    HA   ALA  53           HA       ALA  53   7.667  58.869 109.843
  366   1HB   ALA  53           HB1      ALA  53   6.937  61.422 111.153
  367   2HB   ALA  53           HB3      ALA  53   6.425  59.967 112.009
  368   3HB   ALA  53           HB2      ALA  53   8.129  60.213 111.629
  369    H    ASP  54           HN       ASP  54   4.923  60.288 108.491
  370    HA   ASP  54           HA       ASP  54   3.107  58.338 109.835
  371   1HB   ASP  54           HB2      ASP  54   2.673  60.948 108.412
  372   2HB   ASP  54           HB1      ASP  54   1.361  59.772 108.484
  373    H    LYS  55           HN       LYS  55   4.792  58.931 106.905
  374    HA   LYS  55           HA       LYS  55   3.011  57.772 105.030
  375   1HB   LYS  55           HB2      LYS  55   6.015  57.945 105.115
  376   2HB   LYS  55           HB1      LYS  55   5.183  57.129 103.789
  377   1HG   LYS  55           HG2      LYS  55   3.733  59.348 103.768
  378   2HG   LYS  55           HG1      LYS  55   5.175  60.030 104.521
  379   1HD   LYS  55           HD2      LYS  55   5.809  58.302 102.249
  380   2HD   LYS  55           HD1      LYS  55   4.793  59.670 101.794
  381   1HE   LYS  55           HE2      LYS  55   7.028  60.304 103.632
  382   2HE   LYS  55           HE1      LYS  55   7.501  59.816 102.004
  383   1HZ   LYS  55           HZ3      LYS  55   5.536  61.947 102.650
  384   2HZ   LYS  55           HZ2      LYS  55   7.146  62.210 102.175
  385   3HZ   LYS  55           HZ1      LYS  55   6.045  61.497 101.096
  386    H    CYS  56           HN       CYS  56   5.826  55.759 105.149
  387    HA   CYS  56           HA       CYS  56   4.072  53.463 105.805
  388   1HB   CYS  56           HB2      CYS  56   6.944  53.533 104.817
  389   2HB   CYS  56           HB1      CYS  56   5.956  52.085 104.997
  390    H    LYS  57           HN       LYS  57   4.502  52.102 107.586
  391    HA   LYS  57           HA       LYS  57   6.778  52.031 109.208
  392   1HB   LYS  57           HB2      LYS  57   5.106  54.423 109.660
  393   2HB   LYS  57           HB1      LYS  57   5.491  53.513 111.121
  394   1HG   LYS  57           HG2      LYS  57   7.642  54.194 111.083
  395   2HG   LYS  57           HG1      LYS  57   7.811  53.773 109.378
  396   1HD   LYS  57           HD2      LYS  57   6.208  55.994 109.233
  397   2HD   LYS  57           HD1      LYS  57   7.229  56.385 110.618
  398   1HE   LYS  57           HE2      LYS  57   8.624  55.223 108.271
  399   2HE   LYS  57           HE1      LYS  57   7.978  56.851 108.056
  400   1HZ   LYS  57           HZ1      LYS  57   9.072  57.260 110.346
  401   2HZ   LYS  57           HZ3      LYS  57  10.005  55.896 109.962
  402   3HZ   LYS  57           HZ2      LYS  57  10.040  57.259 108.949
  403    H    ALA  58           HN       ALA  58   6.175  51.235 111.526
  404    HA   ALA  58           HA       ALA  58   4.252  49.103 111.232
  405   1HB   ALA  58           HB3      ALA  58   6.381  49.580 112.907
  406   2HB   ALA  58           HB2      ALA  58   5.010  49.831 113.987
  407   3HB   ALA  58           HB1      ALA  58   5.194  48.296 113.138
   
  No H/Q in entry =         407
  Start of MODEL    4
    1   1H    ARG   1           HT1      ARG   1   8.746  66.224  82.238
    2   2H    ARG   1           HT3      ARG   1  10.285  66.673  81.686
    3   3H    ARG   1           HT2      ARG   1   9.079  66.236  80.573
    4    HA   ARG   1           HA       ARG   1   9.646  64.119  80.683
    5   1HB   ARG   1           HB2      ARG   1  11.720  65.231  82.587
    6   2HB   ARG   1           HB1      ARG   1  11.734  63.566  82.005
    7   1HG   ARG   1           HG2      ARG   1  11.483  64.802  79.643
    8   2HG   ARG   1           HG1      ARG   1  12.295  66.094  80.527
    9   1HD   ARG   1           HD2      ARG   1  14.182  64.968  79.902
   10   2HD   ARG   1           HD1      ARG   1  13.794  63.971  81.305
   11    HE   ARG   1           HE       ARG   1  12.581  63.128  78.750
   12   1HH1  ARG   1          HH11      ARG   1  13.655  61.891  81.555
   13   2HH1  ARG   1          HH12      ARG   1  14.730  60.708  80.888
   14   1HH2  ARG   1          HH21      ARG   1  14.570  61.993  77.670
   15   2HH2  ARG   1          HH22      ARG   1  15.246  60.764  78.687
   16    HA   PRO   2           HA       PRO   2   7.399  62.529  84.151
   17   1HB   PRO   2           HB2      PRO   2   7.594  59.865  83.492
   18   2HB   PRO   2           HB1      PRO   2   6.482  60.991  82.696
   19   1HG   PRO   2           HG2      PRO   2   9.060  59.867  81.682
   20   2HG   PRO   2           HG1      PRO   2   7.628  60.385  80.777
   21   1HD   PRO   2           HD2      PRO   2   9.997  61.877  81.055
   22   2HD   PRO   2           HD1      PRO   2   8.422  62.520  80.536
   23    H    CYS   3           HN       CYS   3   9.395  59.698  83.760
   24    HA   CYS   3           HA       CYS   3  10.685  58.621  85.434
   25   1HB   CYS   3           HB2      CYS   3  12.367  59.680  84.069
   26   2HB   CYS   3           HB1      CYS   3  12.117  61.230  84.874
   27    H    GLN   4           HN       GLN   4  11.645  61.764  86.631
   28    HA   GLN   4           HA       GLN   4  11.485  61.289  89.325
   29   1HB   GLN   4           HB2      GLN   4  11.985  63.503  87.904
   30   2HB   GLN   4           HB1      GLN   4  10.356  63.908  88.446
   31   1HG   GLN   4           HG2      GLN   4  10.960  63.777  90.732
   32   2HG   GLN   4           HG1      GLN   4  12.453  62.908  90.373
   33   1HE2  GLN   4          HE22      GLN   4  12.413  66.908  89.382
   34   2HE2  GLN   4          HE21      GLN   4  11.015  65.983  89.122
   35    H    CYS   5           HN       CYS   5   9.873  60.436  90.522
   36    HA   CYS   5           HA       CYS   5   7.054  61.138  89.816
   37   1HB   CYS   5           HB2      CYS   5   6.393  59.050  90.832
   38   2HB   CYS   5           HB1      CYS   5   7.732  58.699  89.738
   39    H    ASN   6           HN       ASN   6   6.332  59.955  92.544
   40    HA   ASN   6           HA       ASN   6   6.056  62.337  94.008
   41   1HB   ASN   6           HB2      ASN   6   5.956  59.437  94.666
   42   2HB   ASN   6           HB1      ASN   6   6.164  60.542  96.026
   43   1HD2  ASN   6          HD22      ASN   6   2.938  62.079  95.579
   44   2HD2  ASN   6          HD21      ASN   6   4.511  62.389  96.134
   45    H    ASP   7           HN       ASP   7   7.170  62.330  96.437
   46    HA   ASP   7           HA       ASP   7  10.042  62.700  95.812
   47   1HB   ASP   7           HB2      ASP   7   8.125  63.799  97.743
   48   2HB   ASP   7           HB1      ASP   7   9.705  63.448  98.445
   49    H    ASN   8           HN       ASN   8  10.202  60.183  95.717
   50    HA   ASN   8           HA       ASN   8  11.116  59.290  98.402
   51   1HB   ASN   8           HB2      ASN   8   9.251  57.650  96.659
   52   2HB   ASN   8           HB1      ASN   8   9.958  57.136  98.190
   53   1HD2  ASN   8          HD22      ASN   8   6.512  59.061  98.354
   54   2HD2  ASN   8          HD21      ASN   8   7.090  58.187  97.018
   55    H    ILE   9           HN       ILE   9  13.044  59.933  96.811
   56    HA   ILE   9           HA       ILE   9  14.123  57.375  95.797
   57    HB   ILE   9           HB       ILE   9  14.849  58.543  93.664
   58   1HG1  ILE   9          HG12      ILE   9  12.615  60.423  93.772
   59   2HG1  ILE   9          HG11      ILE   9  13.845  60.782  94.984
   60   1HG2  ILE   9          HG23      ILE   9  12.751  57.007  94.071
   61   2HG2  ILE   9          HG22      ILE   9  11.851  58.500  93.801
   62   3HG2  ILE   9          HG21      ILE   9  12.918  57.873  92.544
   63   1HD1  ILE   9          HD13      ILE   9  15.548  60.464  93.059
   64   2HD1  ILE   9          HD12      ILE   9  14.156  60.623  91.989
   65   3HD1  ILE   9          HD11      ILE   9  14.592  61.947  93.068
   66    H    ASP  10           HN       ASP  10  16.433  57.404  95.740
   67    HA   ASP  10           HA       ASP  10  17.625  59.734  97.177
   68   1HB   ASP  10           HB2      ASP  10  18.046  56.814  97.289
   69   2HB   ASP  10           HB1      ASP  10  19.527  57.773  97.302
   70    HA   PRO  11           HA       PRO  11  19.589  60.474  93.220
   71   1HB   PRO  11           HB2      PRO  11  20.853  62.776  94.019
   72   2HB   PRO  11           HB1      PRO  11  19.154  62.704  93.523
   73   1HG   PRO  11           HG2      PRO  11  20.304  62.953  96.267
   74   2HG   PRO  11           HG1      PRO  11  18.748  63.529  95.646
   75   1HD   PRO  11           HD2      PRO  11  19.117  61.225  97.216
   76   2HD   PRO  11           HD1      PRO  11  17.676  61.591  96.244
   77    H    ASN  12           HN       ASN  12  20.969  59.586  96.132
   78    HA   ASN  12           HA       ASN  12  23.771  60.005  95.430
   79   1HB   ASN  12           HB2      ASN  12  22.610  59.654  97.799
   80   2HB   ASN  12           HB1      ASN  12  22.943  57.957  97.450
   81   1HD2  ASN  12          HD22      ASN  12  26.551  58.514  97.376
   82   2HD2  ASN  12          HD21      ASN  12  25.356  57.674  96.511
   83    H    ALA  13           HN       ALA  13  22.020  56.922  96.041
   84    HA   ALA  13           HA       ALA  13  23.908  55.340  94.600
   85   1HB   ALA  13           HB1      ALA  13  21.381  54.934  95.945
   86   2HB   ALA  13           HB3      ALA  13  21.402  54.051  94.418
   87   3HB   ALA  13           HB2      ALA  13  22.662  53.764  95.620
   88    H    VAL  14           HN       VAL  14  22.945  53.940  92.624
   89    HA   VAL  14           HA       VAL  14  21.914  55.933  90.642
   90    HB   VAL  14           HB       VAL  14  23.641  53.501  90.097
   91   1HG1  VAL  14          HG12      VAL  14  22.039  55.100  88.414
   92   2HG1  VAL  14          HG11      VAL  14  23.699  55.631  88.139
   93   3HG1  VAL  14          HG13      VAL  14  23.267  53.935  87.919
   94   1HG2  VAL  14          HG21      VAL  14  24.343  56.041  91.202
   95   2HG2  VAL  14          HG23      VAL  14  25.423  54.740  90.697
   96   3HG2  VAL  14          HG22      VAL  14  24.947  55.988  89.546
   97    H    GLY  15           HN       GLY  15  20.320  55.180  89.141
   98   1HA   GLY  15           HA2      GLY  15  18.999  53.293  88.205
   99   2HA   GLY  15           HA1      GLY  15  19.174  52.493  89.772
  100    H    ASN  16           HN       ASN  16  18.715  55.444  90.874
  101    HA   ASN  16           HA       ASN  16  16.223  55.224  91.956
  102   1HB   ASN  16           HB2      ASN  16  17.814  57.550  91.012
  103   2HB   ASN  16           HB1      ASN  16  16.113  57.856  91.359
  104   1HD2  ASN  16          HD22      ASN  16  18.109  56.207  94.537
  105   2HD2  ASN  16          HD21      ASN  16  18.206  55.467  93.013
  106    H    CYS  17           HN       CYS  17  16.885  55.925  88.574
  107    HA   CYS  17           HA       CYS  17  13.931  55.928  88.083
  108   1HB   CYS  17           HB2      CYS  17  15.273  58.115  87.664
  109   2HB   CYS  17           HB1      CYS  17  15.912  57.268  86.256
  110    H    ASN  18           HN       ASN  18  13.310  54.861  86.014
  111    HA   ASN  18           HA       ASN  18  15.091  52.602  85.416
  112   1HB   ASN  18           HB2      ASN  18  12.626  53.198  83.799
  113   2HB   ASN  18           HB1      ASN  18  13.318  51.641  84.224
  114   1HD2  ASN  18          HD22      ASN  18  10.577  51.541  86.492
  115   2HD2  ASN  18          HD21      ASN  18  11.107  51.038  84.960
  116    H    ARG  19           HN       ARG  19  16.698  52.813  83.937
  117    HA   ARG  19           HA       ARG  19  17.040  55.140  82.325
  118   1HB   ARG  19           HB2      ARG  19  18.495  52.752  82.899
  119   2HB   ARG  19           HB1      ARG  19  18.450  52.956  81.147
  120   1HG   ARG  19           HG2      ARG  19  18.907  55.527  82.261
  121   2HG   ARG  19           HG1      ARG  19  20.006  54.413  83.076
  122   1HD   ARG  19           HD2      ARG  19  20.119  53.624  80.407
  123   2HD   ARG  19           HD1      ARG  19  20.060  55.385  80.323
  124    HE   ARG  19           HE       ARG  19  21.969  54.466  82.306
  125   1HH1  ARG  19          HH11      ARG  19  21.693  53.904  78.997
  126   2HH1  ARG  19          HH12      ARG  19  23.216  54.610  78.575
  127   1HH2  ARG  19          HH21      ARG  19  23.823  55.854  81.754
  128   2HH2  ARG  19          HH22      ARG  19  24.421  55.715  80.134
  129    H    LEU  20           HN       LEU  20  15.129  52.302  81.765
  130    HA   LEU  20           HA       LEU  20  15.028  52.964  78.861
  131   1HB   LEU  20           HB2      LEU  20  13.791  50.701  78.746
  132   2HB   LEU  20           HB1      LEU  20  15.520  50.678  79.091
  133    HG   LEU  20           HG       LEU  20  13.658  50.853  81.418
  134   1HD1  LEU  20          HD11      LEU  20  14.105  48.385  79.723
  135   2HD1  LEU  20          HD13      LEU  20  13.566  48.314  81.401
  136   3HD1  LEU  20          HD12      LEU  20  12.564  49.106  80.187
  137   1HD2  LEU  20          HD22      LEU  20  16.431  50.193  80.825
  138   2HD2  LEU  20          HD21      LEU  20  15.687  50.588  82.376
  139   3HD2  LEU  20          HD23      LEU  20  15.660  48.927  81.782
  140    H    THR  21           HN       THR  21  12.813  52.466  81.658
  141    HA   THR  21           HA       THR  21  10.543  53.255  79.938
  142    HB   THR  21           HB       THR  21   9.324  52.994  82.240
  143    HG1  THR  21           HG1      THR  21  11.629  51.442  82.731
  144   1HG2  THR  21          HG22      THR  21  10.117  51.185  80.171
  145   2HG2  THR  21          HG21      THR  21  10.153  50.321  81.709
  146   3HG2  THR  21          HG23      THR  21   8.674  51.124  81.185
  147    H    GLY  22           HN       GLY  22  12.491  54.593  82.583
  148   1HA   GLY  22           HA2      GLY  22  12.743  56.907  83.096
  149   2HA   GLY  22           HA1      GLY  22  11.466  57.272  81.934
  150    H    GLU  23           HN       GLU  23  11.882  55.684  85.145
  151    HA   GLU  23           HA       GLU  23   9.665  57.226  86.247
  152   1HB   GLU  23           HB2      GLU  23   8.883  55.009  84.857
  153   2HB   GLU  23           HB1      GLU  23   9.152  54.304  86.450
  154   1HG   GLU  23           HG2      GLU  23   6.800  55.134  86.078
  155   2HG   GLU  23           HG1      GLU  23   7.604  55.861  87.472
  156    H    CYS  24           HN       CYS  24   9.332  56.488  88.641
  157    HA   CYS  24           HA       CYS  24  11.896  56.253  89.899
  158   1HB   CYS  24           HB2      CYS  24   9.068  55.903  90.919
  159   2HB   CYS  24           HB1      CYS  24  10.473  55.755  91.973
  160    H    LEU  25           HN       LEU  25  13.091  54.412  89.584
  161    HA   LEU  25           HA       LEU  25  11.726  51.781  89.605
  162   1HB   LEU  25           HB2      LEU  25  13.756  52.760  88.040
  163   2HB   LEU  25           HB1      LEU  25  14.668  51.902  89.243
  164    HG   LEU  25           HG       LEU  25  13.256  50.928  86.952
  165   1HD1  LEU  25          HD12      LEU  25  15.251  50.033  88.921
  166   2HD1  LEU  25          HD11      LEU  25  14.347  48.740  88.132
  167   3HD1  LEU  25          HD13      LEU  25  15.255  49.900  87.162
  168   1HD2  LEU  25          HD22      LEU  25  12.295  49.850  89.607
  169   2HD2  LEU  25          HD21      LEU  25  11.319  50.445  88.265
  170   3HD2  LEU  25          HD23      LEU  25  12.198  48.923  88.109
  171    H    LYS  26           HN       LYS  26  12.597  53.661  92.025
  172    HA   LYS  26           HA       LYS  26  13.310  51.420  93.764
  173   1HB   LYS  26           HB2      LYS  26  15.436  52.552  92.493
  174   2HB   LYS  26           HB1      LYS  26  15.356  53.530  93.961
  175   1HG   LYS  26           HG2      LYS  26  15.201  51.364  95.248
  176   2HG   LYS  26           HG1      LYS  26  15.626  50.535  93.755
  177   1HD   LYS  26           HD2      LYS  26  17.801  51.011  94.081
  178   2HD   LYS  26           HD1      LYS  26  17.430  52.734  94.161
  179   1HE   LYS  26           HE2      LYS  26  17.660  52.758  96.406
  180   2HE   LYS  26           HE1      LYS  26  16.592  51.366  96.586
  181   1HZ   LYS  26           HZ2      LYS  26  19.431  51.165  95.750
  182   2HZ   LYS  26           HZ1      LYS  26  18.907  50.992  97.357
  183   3HZ   LYS  26           HZ3      LYS  26  18.390  49.892  96.175
  184    H    CYS  27           HN       CYS  27  11.151  52.619  94.533
  185    HA   CYS  27           HA       CYS  27  11.243  55.197  95.709
  186   1HB   CYS  27           HB2      CYS  27   9.725  52.750  96.674
  187   2HB   CYS  27           HB1      CYS  27   9.386  54.412  97.153
  188    H    ILE  28           HN       ILE  28  11.803  55.875  97.872
  189    HA   ILE  28           HA       ILE  28  13.689  53.977  99.185
  190    HB   ILE  28           HB       ILE  28  14.119  56.371 100.440
  191   1HG1  ILE  28          HG12      ILE  28  13.878  57.057  97.522
  192   2HG1  ILE  28          HG11      ILE  28  12.538  57.342  98.628
  193   1HG2  ILE  28          HG22      ILE  28  15.379  54.795  98.264
  194   2HG2  ILE  28          HG21      ILE  28  15.946  56.456  98.433
  195   3HG2  ILE  28          HG23      ILE  28  16.059  55.342  99.796
  196   1HD1  ILE  28          HD12      ILE  28  14.241  58.556 100.118
  197   2HD1  ILE  28          HD11      ILE  28  15.306  58.534  98.713
  198   3HD1  ILE  28          HD13      ILE  28  13.759  59.375  98.633
  199    H    TYR  29           HN       TYR  29  11.580  56.572 100.364
  200    HA   TYR  29           HA       TYR  29  11.526  55.779 103.043
  201   1HB   TYR  29           HB2      TYR  29   9.375  57.209 101.466
  202   2HB   TYR  29           HB1      TYR  29   9.458  57.137 103.227
  203    HD1  TYR  29           HD2      TYR  29  11.411  58.149 104.429
  204    HD2  TYR  29           HD1      TYR  29  10.794  58.674 100.211
  205    HE1  TYR  29           HE2      TYR  29  13.000  60.054 104.434
  206    HE2  TYR  29           HE1      TYR  29  12.383  60.578 100.216
  207    HH   TYR  29           HH       TYR  29  13.797  61.787 101.418
  208    H    ASN  30           HN       ASN  30  11.325  53.488 102.967
  209    HA   ASN  30           HA       ASN  30  10.133  51.415 102.663
  210   1HB   ASN  30           HB2      ASN  30   8.910  53.087 104.856
  211   2HB   ASN  30           HB1      ASN  30   8.457  51.402 104.600
  212   1HD2  ASN  30          HD22      ASN  30  11.842  52.170 106.595
  213   2HD2  ASN  30          HD21      ASN  30  10.645  53.337 106.297
  214    H    THR  31           HN       THR  31   9.218  52.822 100.533
  215    HA   THR  31           HA       THR  31   6.252  52.393 100.713
  216    HB   THR  31           HB       THR  31   6.083  54.108  98.866
  217    HG1  THR  31           HG1      THR  31   8.754  54.638  99.656
  218   1HG2  THR  31          HG21      THR  31   6.500  54.464 101.671
  219   2HG2  THR  31          HG23      THR  31   7.224  55.831 100.826
  220   3HG2  THR  31          HG22      THR  31   5.522  55.443 100.578
  221    H    ALA  32           HN       ALA  32   5.260  51.547  98.760
  222    HA   ALA  32           HA       ALA  32   7.214  50.208  96.931
  223   1HB   ALA  32           HB1      ALA  32   5.445  48.975  98.734
  224   2HB   ALA  32           HB3      ALA  32   4.693  48.794  97.149
  225   3HB   ALA  32           HB2      ALA  32   6.329  48.195  97.422
  226    H    GLY  33           HN       GLY  33   5.287  49.113  95.198
  227   1HA   GLY  33           HA2      GLY  33   3.685  49.693  93.547
  228   2HA   GLY  33           HA1      GLY  33   3.498  51.267  94.316
  229    H    PHE  34           HN       PHE  34   3.976  50.516  91.467
  230    HA   PHE  34           HA       PHE  34   6.574  51.043  90.565
  231   1HB   PHE  34           HB2      PHE  34   4.410  50.500  89.220
  232   2HB   PHE  34           HB1      PHE  34   4.145  52.240  89.203
  233    HD1  PHE  34           HD1      PHE  34   7.573  52.017  89.321
  234    HD2  PHE  34           HD2      PHE  34   4.341  51.207  86.604
  235    HE1  PHE  34           HE1      PHE  34   9.128  52.229  87.410
  236    HE2  PHE  34           HE2      PHE  34   5.903  51.417  84.695
  237    HZ   PHE  34           HZ       PHE  34   8.295  51.927  85.094
  238    H    TYR  35           HN       TYR  35   4.198  53.324  91.873
  239    HA   TYR  35           HA       TYR  35   6.229  55.491  91.491
  240   1HB   TYR  35           HB2      TYR  35   3.322  56.116  91.863
  241   2HB   TYR  35           HB1      TYR  35   4.560  57.026  90.997
  242    HD1  TYR  35           HD1      TYR  35   5.724  55.457  89.046
  243    HD2  TYR  35           HD2      TYR  35   1.693  55.171  90.502
  244    HE1  TYR  35           HE1      TYR  35   5.034  54.376  86.923
  245    HE2  TYR  35           HE2      TYR  35   1.002  54.091  88.379
  246    HH   TYR  35           HH       TYR  35   2.766  54.176  85.616
  247    H    CYS  36           HN       CYS  36   6.243  53.762  93.766
  248    HA   CYS  36           HA       CYS  36   6.160  53.830  96.115
  249   1HB   CYS  36           HB2      CYS  36   6.124  56.830  95.884
  250   2HB   CYS  36           HB1      CYS  36   6.974  55.820  97.053
  251    H    ASP  37           HN       ASP  37   3.581  53.925  94.627
  252    HA   ASP  37           HA       ASP  37   1.873  55.644  96.324
  253   1HB   ASP  37           HB2      ASP  37   0.029  54.722  94.893
  254   2HB   ASP  37           HB1      ASP  37   1.297  55.523  93.964
  255    H    ARG  38           HN       ARG  38   3.390  52.915  96.986
  256    HA   ARG  38           HA       ARG  38   1.076  51.811  98.502
  257   1HB   ARG  38           HB2      ARG  38   2.416  50.514  96.412
  258   2HB   ARG  38           HB1      ARG  38   3.105  49.818  97.879
  259   1HG   ARG  38           HG2      ARG  38   1.195  48.712  98.367
  260   2HG   ARG  38           HG1      ARG  38   0.203  50.137  98.053
  261   1HD   ARG  38           HD2      ARG  38  -0.217  49.530  95.892
  262   2HD   ARG  38           HD1      ARG  38   1.403  48.873  95.658
  263    HE   ARG  38           HE       ARG  38   0.638  46.770  96.526
  264   1HH1  ARG  38          HH21      ARG  38  -1.601  49.269  97.219
  265   2HH1  ARG  38          HH22      ARG  38  -2.976  48.216  97.276
  266   1HH2  ARG  38          HH11      ARG  38  -1.184  45.392  96.356
  267   2HH2  ARG  38          HH12      ARG  38  -2.739  46.020  96.791
  268    H    CYS  39           HN       CYS  39   2.432  49.956  99.974
  269    HA   CYS  39           HA       CYS  39   4.491  51.567 101.433
  270   1HB   CYS  39           HB2      CYS  39   2.190  49.892 102.427
  271   2HB   CYS  39           HB1      CYS  39   3.580  50.175 103.465
  272    H    LYS  40           HN       LYS  40   6.458  50.504 101.622
  273    HA   LYS  40           HA       LYS  40   6.960  48.029 100.353
  274   1HB   LYS  40           HB2      LYS  40   8.832  49.424 100.805
  275   2HB   LYS  40           HB1      LYS  40   8.423  49.549 102.514
  276   1HG   LYS  40           HG2      LYS  40   8.952  47.184 102.849
  277   2HG   LYS  40           HG1      LYS  40   9.290  46.997 101.127
  278   1HD   LYS  40           HD2      LYS  40  11.066  48.775 101.368
  279   2HD   LYS  40           HD1      LYS  40  10.808  48.709 103.112
  280   1HE   LYS  40           HE2      LYS  40  11.520  46.293 101.429
  281   2HE   LYS  40           HE1      LYS  40  12.706  47.262 102.305
  282   1HZ   LYS  40           HZ1      LYS  40  10.680  46.706 104.098
  283   2HZ   LYS  40           HZ3      LYS  40  10.984  45.246 103.287
  284   3HZ   LYS  40           HZ2      LYS  40  12.250  46.054 104.083
  285    H    GLU  41           HN       GLU  41   7.040  45.912 101.113
  286    HA   GLU  41           HA       GLU  41   5.232  45.127 103.157
  287   1HB   GLU  41           HB2      GLU  41   6.252  43.738 101.217
  288   2HB   GLU  41           HB1      GLU  41   7.590  43.441 102.327
  289   1HG   GLU  41           HG2      GLU  41   6.346  41.735 103.137
  290   2HG   GLU  41           HG1      GLU  41   5.354  42.978 103.901
  291    H    GLY  42           HN       GLY  42   5.472  45.165 105.361
  292   1HA   GLY  42           HA2      GLY  42   7.019  44.415 107.239
  293   2HA   GLY  42           HA1      GLY  42   8.260  45.385 106.430
  294    H    PHE  43           HN       PHE  43   6.360  47.428 105.598
  295    HA   PHE  43           HA       PHE  43   5.529  48.542 108.214
  296   1HB   PHE  43           HB2      PHE  43   6.733  50.333 106.132
  297   2HB   PHE  43           HB1      PHE  43   6.486  50.612 107.858
  298    HD1  PHE  43           HD2      PHE  43   8.276  48.235 105.563
  299    HD2  PHE  43           HD1      PHE  43   8.339  50.398 109.275
  300    HE1  PHE  43           HE2      PHE  43  10.566  47.396 106.014
  301    HE2  PHE  43           HE1      PHE  43  10.630  49.560 109.724
  302    HZ   PHE  43           HZ       PHE  43  11.742  48.058 108.093
  303    H    PHE  44           HN       PHE  44   3.574  49.253 108.143
  304    HA   PHE  44           HA       PHE  44   2.224  49.680 105.514
  305   1HB   PHE  44           HB2      PHE  44   0.738  49.351 108.107
  306   2HB   PHE  44           HB1      PHE  44   0.212  48.959 106.471
  307    HD1  PHE  44           HD1      PHE  44   1.437  47.050 105.242
  308    HD2  PHE  44           HD2      PHE  44   1.694  47.688 109.483
  309    HE1  PHE  44           HE1      PHE  44   2.201  44.712 105.548
  310    HE2  PHE  44           HE2      PHE  44   2.459  45.348 109.787
  311    HZ   PHE  44           HZ       PHE  44   2.711  43.860 107.820
  312    H    GLY  45           HN       GLY  45   0.208  51.314 106.000
  313   1HA   GLY  45           HA2      GLY  45  -0.144  53.318 107.636
  314   2HA   GLY  45           HA1      GLY  45   1.516  53.709 107.204
  315    H    ASN  46           HN       ASN  46   1.138  55.608 106.131
  316    HA   ASN  46           HA       ASN  46  -0.455  55.384 103.600
  317   1HB   ASN  46           HB2      ASN  46  -0.344  57.673 105.580
  318   2HB   ASN  46           HB1      ASN  46  -0.973  57.851 103.942
  319   1HD2  ASN  46          HD22      ASN  46  -3.223  55.989 106.775
  320   2HD2  ASN  46          HD21      ASN  46  -1.655  56.536 107.127
  321    HA   PRO  47           HA       PRO  47   3.688  56.664 102.347
  322   1HB   PRO  47           HB2      PRO  47   3.483  55.610  99.823
  323   2HB   PRO  47           HB1      PRO  47   3.925  54.655 101.247
  324   1HG   PRO  47           HG2      PRO  47   1.361  54.682  99.738
  325   2HG   PRO  47           HG1      PRO  47   2.052  53.405 100.754
  326   1HD   PRO  47           HD2      PRO  47  -0.014  55.227 101.485
  327   2HD   PRO  47           HD1      PRO  47   0.834  54.101 102.563
  328    H    LEU  48           HN       LEU  48   0.603  57.633 101.398
  329    HA   LEU  48           HA       LEU  48   1.695  59.605  99.433
  330   1HB   LEU  48           HB2      LEU  48  -1.189  58.774  99.877
  331   2HB   LEU  48           HB1      LEU  48  -0.584  59.820  98.592
  332    HG   LEU  48           HG       LEU  48   0.191  56.916  99.002
  333   1HD1  LEU  48          HD12      LEU  48  -2.106  58.050  97.813
  334   2HD1  LEU  48          HD11      LEU  48  -1.058  57.565  96.479
  335   3HD1  LEU  48          HD13      LEU  48  -1.554  56.380  97.686
  336   1HD2  LEU  48          HD22      LEU  48   1.509  59.044  97.652
  337   2HD2  LEU  48          HD21      LEU  48   1.908  57.327  97.602
  338   3HD2  LEU  48          HD23      LEU  48   0.801  58.009  96.411
  339    H    ALA  49           HN       ALA  49   2.023  59.984 102.266
  340    HA   ALA  49           HA       ALA  49   0.032  62.118 102.878
  341   1HB   ALA  49           HB3      ALA  49   2.028  60.662 104.638
  342   2HB   ALA  49           HB2      ALA  49   0.984  61.971 105.193
  343   3HB   ALA  49           HB1      ALA  49   0.277  60.453 104.641
  344    HA   PRO  50           HA       PRO  50   3.086  65.198 102.198
  345   1HB   PRO  50           HB2      PRO  50   2.237  67.104 103.995
  346   2HB   PRO  50           HB1      PRO  50   1.424  66.782 102.454
  347   1HG   PRO  50           HG2      PRO  50   0.595  66.001 105.216
  348   2HG   PRO  50           HG1      PRO  50  -0.409  66.323 103.791
  349   1HD   PRO  50           HD2      PRO  50   0.241  63.770 104.772
  350   2HD   PRO  50           HD1      PRO  50  -0.381  64.120 103.145
  351    H    ASN  51           HN       ASN  51   2.517  63.913 105.388
  352    HA   ASN  51           HA       ASN  51   5.140  64.946 106.341
  353   1HB   ASN  51           HB2      ASN  51   2.717  64.757 107.634
  354   2HB   ASN  51           HB1      ASN  51   3.549  63.304 108.192
  355   1HD2  ASN  51          HD22      ASN  51   5.033  66.988 109.229
  356   2HD2  ASN  51          HD21      ASN  51   3.920  66.863 107.954
  357    HA   PRO  52           HA       PRO  52   6.794  60.909 105.493
  358   1HB   PRO  52           HB2      PRO  52   9.200  61.279 106.776
  359   2HB   PRO  52           HB1      PRO  52   8.832  61.936 105.172
  360   1HG   PRO  52           HG2      PRO  52   8.964  63.353 107.799
  361   2HG   PRO  52           HG1      PRO  52   9.270  63.977 106.168
  362   1HD   PRO  52           HD2      PRO  52   6.910  64.391 107.651
  363   2HD   PRO  52           HD1      PRO  52   7.093  64.638 105.899
  364    H    ALA  53           HN       ALA  53   6.294  62.250 108.686
  365    HA   ALA  53           HA       ALA  53   7.123  59.881 110.156
  366   1HB   ALA  53           HB3      ALA  53   6.395  62.511 110.810
  367   2HB   ALA  53           HB2      ALA  53   5.140  61.501 111.528
  368   3HB   ALA  53           HB1      ALA  53   6.833  61.230 111.939
  369    H    ASP  54           HN       ASP  54   4.338  60.763 108.348
  370    HA   ASP  54           HA       ASP  54   2.725  58.630 109.674
  371   1HB   ASP  54           HB2      ASP  54   1.938  60.888 107.808
  372   2HB   ASP  54           HB1      ASP  54   0.825  59.632 108.350
  373    H    LYS  55           HN       LYS  55   4.961  58.661 107.424
  374    HA   LYS  55           HA       LYS  55   3.736  57.654 105.051
  375   1HB   LYS  55           HB2      LYS  55   6.196  58.445 105.560
  376   2HB   LYS  55           HB1      LYS  55   6.461  56.743 105.928
  377   1HG   LYS  55           HG2      LYS  55   6.941  56.827 103.636
  378   2HG   LYS  55           HG1      LYS  55   5.244  56.345 103.631
  379   1HD   LYS  55           HD2      LYS  55   4.636  58.244 102.579
  380   2HD   LYS  55           HD1      LYS  55   5.489  59.233 103.764
  381   1HE   LYS  55           HE2      LYS  55   7.091  57.754 101.709
  382   2HE   LYS  55           HE1      LYS  55   6.251  59.229 101.230
  383   1HZ   LYS  55           HZ1      LYS  55   7.646  59.456 103.733
  384   2HZ   LYS  55           HZ3      LYS  55   8.674  59.130 102.425
  385   3HZ   LYS  55           HZ2      LYS  55   7.657  60.490 102.385
  386    H    CYS  56           HN       CYS  56   5.575  55.132 105.153
  387    HA   CYS  56           HA       CYS  56   3.502  53.403 106.403
  388   1HB   CYS  56           HB2      CYS  56   5.815  52.495 104.676
  389   2HB   CYS  56           HB1      CYS  56   4.325  51.626 105.031
  390    H    LYS  57           HN       LYS  57   4.030  53.154 108.567
  391    HA   LYS  57           HA       LYS  57   6.885  52.552 109.217
  392   1HB   LYS  57           HB2      LYS  57   4.620  53.582 110.949
  393   2HB   LYS  57           HB1      LYS  57   6.212  53.138 111.565
  394   1HG   LYS  57           HG2      LYS  57   7.153  54.771 109.810
  395   2HG   LYS  57           HG1      LYS  57   5.503  55.376 109.669
  396   1HD   LYS  57           HD2      LYS  57   7.106  55.229 112.239
  397   2HD   LYS  57           HD1      LYS  57   6.792  56.696 111.312
  398   1HE   LYS  57           HE2      LYS  57   4.700  56.899 112.151
  399   2HE   LYS  57           HE1      LYS  57   4.351  55.189 111.897
  400   1HZ   LYS  57           HZ3      LYS  57   5.687  54.709 113.896
  401   2HZ   LYS  57           HZ2      LYS  57   5.858  56.379 114.163
  402   3HZ   LYS  57           HZ1      LYS  57   4.320  55.658 114.229
  403    H    ALA  58           HN       ALA  58   6.705  51.221 111.548
  404    HA   ALA  58           HA       ALA  58   5.402  48.684 110.735
  405   1HB   ALA  58           HB1      ALA  58   7.779  49.412 112.212
  406   2HB   ALA  58           HB3      ALA  58   6.768  48.341 113.182
  407   3HB   ALA  58           HB2      ALA  58   7.308  47.833 111.582
   
  No H/Q in entry =         407
  Start of MODEL    5
    1   1H    ARG   1           HT3      ARG   1  16.778  65.539  81.814
    2   2H    ARG   1           HT2      ARG   1  17.887  65.698  83.093
    3   3H    ARG   1           HT1      ARG   1  17.906  64.309  82.114
    4    HA   ARG   1           HA       ARG   1  16.747  63.432  83.824
    5   1HB   ARG   1           HB2      ARG   1  15.892  66.290  84.320
    6   2HB   ARG   1           HB1      ARG   1  15.183  64.934  85.197
    7   1HG   ARG   1           HG2      ARG   1  17.545  64.237  85.815
    8   2HG   ARG   1           HG1      ARG   1  18.090  65.780  85.158
    9   1HD   ARG   1           HD2      ARG   1  16.118  66.683  86.744
   10   2HD   ARG   1           HD1      ARG   1  16.535  65.220  87.636
   11    HE   ARG   1           HE       ARG   1  18.382  67.497  87.120
   12   1HH1  ARG   1          HH21      ARG   1  19.413  64.551  87.350
   13   2HH1  ARG   1          HH22      ARG   1  19.935  64.554  89.002
   14   1HH2  ARG   1          HH11      ARG   1  18.266  67.486  89.803
   15   2HH2  ARG   1          HH12      ARG   1  19.285  66.214  90.390
   16    HA   PRO   2           HA       PRO   2  13.410  63.508  80.661
   17   1HB   PRO   2           HB2      PRO   2  13.765  60.890  79.904
   18   2HB   PRO   2           HB1      PRO   2  14.636  62.249  79.172
   19   1HG   PRO   2           HG2      PRO   2  15.630  60.199  81.096
   20   2HG   PRO   2           HG1      PRO   2  16.531  61.142  79.896
   21   1HD   PRO   2           HD2      PRO   2  16.433  61.655  82.682
   22   2HD   PRO   2           HD1      PRO   2  17.058  62.757  81.437
   23    H    CYS   3           HN       CYS   3  13.928  62.187  83.654
   24    HA   CYS   3           HA       CYS   3  11.139  61.215  83.795
   25   1HB   CYS   3           HB2      CYS   3  12.596  59.224  83.270
   26   2HB   CYS   3           HB1      CYS   3  13.441  59.513  84.790
   27    H    GLN   4           HN       GLN   4  10.242  61.568  85.818
   28    HA   GLN   4           HA       GLN   4  11.780  61.925  88.225
   29   1HB   GLN   4           HB2      GLN   4  11.180  64.410  88.462
   30   2HB   GLN   4           HB1      GLN   4  12.499  64.028  87.355
   31   1HG   GLN   4           HG2      GLN   4  10.127  63.839  85.832
   32   2HG   GLN   4           HG1      GLN   4   9.981  65.317  86.784
   33   1HE2  GLN   4          HE22      GLN   4  11.887  66.143  83.670
   34   2HE2  GLN   4          HE21      GLN   4  10.334  65.538  83.994
   35    H    CYS   5           HN       CYS   5  10.381  61.847  89.991
   36    HA   CYS   5           HA       CYS   5   7.491  62.338  89.481
   37   1HB   CYS   5           HB2      CYS   5   6.881  60.219  90.555
   38   2HB   CYS   5           HB1      CYS   5   7.911  59.910  89.157
   39    H    ASN   6           HN       ASN   6   6.608  63.483  91.136
   40    HA   ASN   6           HA       ASN   6   8.238  64.117  93.476
   41   1HB   ASN   6           HB2      ASN   6   5.442  64.879  92.601
   42   2HB   ASN   6           HB1      ASN   6   6.115  65.385  94.152
   43   1HD2  ASN   6          HD22      ASN   6   8.706  67.400  92.502
   44   2HD2  ASN   6          HD21      ASN   6   8.591  66.257  93.753
   45    H    ASP   7           HN       ASP   7   8.398  61.894  94.331
   46    HA   ASP   7           HA       ASP   7   6.164  61.321  96.166
   47   1HB   ASP   7           HB2      ASP   7   7.133  59.271  94.145
   48   2HB   ASP   7           HB1      ASP   7   5.974  58.968  95.439
   49    H    ASN   8           HN       ASN   8   7.572  58.481  96.243
   50    HA   ASN   8           HA       ASN   8   9.520  59.305  98.305
   51   1HB   ASN   8           HB2      ASN   8   8.330  56.667  97.444
   52   2HB   ASN   8           HB1      ASN   8   9.677  56.751  98.579
   53   1HD2  ASN   8          HD22      ASN   8   7.578  58.660 100.973
   54   2HD2  ASN   8          HD21      ASN   8   9.071  58.889 100.199
   55    H    ILE   9           HN       ILE   9  10.969  60.250  96.608
   56    HA   ILE   9           HA       ILE   9  12.875  58.158  95.706
   57    HB   ILE   9           HB       ILE   9  13.152  59.400  93.532
   58   1HG1  ILE   9          HG12      ILE   9  10.626  60.593  93.300
   59   2HG1  ILE   9          HG11      ILE   9  11.233  61.123  94.868
   60   1HG2  ILE   9          HG23      ILE   9  11.609  57.336  94.007
   61   2HG2  ILE   9          HG22      ILE   9  10.296  58.492  93.780
   62   3HG2  ILE   9          HG21      ILE   9  11.444  58.195  92.475
   63   1HD1  ILE   9          HD11      ILE   9  13.342  61.852  93.805
   64   2HD1  ILE   9          HD13      ILE   9  12.726  61.336  92.235
   65   3HD1  ILE   9          HD12      ILE   9  11.954  62.672  93.090
   66    H    ASP  10           HN       ASP  10  14.994  59.219  95.104
   67    HA   ASP  10           HA       ASP  10  15.484  61.531  96.927
   68   1HB   ASP  10           HB2      ASP  10  17.770  60.084  95.678
   69   2HB   ASP  10           HB1      ASP  10  17.619  60.749  97.300
   70    HA   PRO  11           HA       PRO  11  16.134  63.969  93.268
   71   1HB   PRO  11           HB2      PRO  11  17.106  66.198  94.550
   72   2HB   PRO  11           HB1      PRO  11  15.386  65.778  94.487
   73   1HG   PRO  11           HG2      PRO  11  17.303  65.513  96.762
   74   2HG   PRO  11           HG1      PRO  11  15.549  65.763  96.795
   75   1HD   PRO  11           HD2      PRO  11  16.850  63.306  97.243
   76   2HD   PRO  11           HD1      PRO  11  15.125  63.515  96.868
   77    H    ASN  12           HN       ASN  12  18.632  63.293  95.656
   78    HA   ASN  12           HA       ASN  12  20.811  64.405  94.066
   79   1HB   ASN  12           HB2      ASN  12  20.485  63.069  96.647
   80   2HB   ASN  12           HB1      ASN  12  21.945  62.558  95.799
   81   1HD2  ASN  12          HD22      ASN  12  23.612  65.555  96.624
   82   2HD2  ASN  12          HD21      ASN  12  23.714  63.900  96.259
   83    H    ALA  13           HN       ALA  13  19.001  61.460  93.740
   84    HA   ALA  13           HA       ALA  13  21.232  59.863  92.749
   85   1HB   ALA  13           HB2      ALA  13  18.616  59.329  93.575
   86   2HB   ALA  13           HB1      ALA  13  18.589  59.032  91.837
   87   3HB   ALA  13           HB3      ALA  13  19.739  58.171  92.861
   88    H    VAL  14           HN       VAL  14  20.221  58.807  90.372
   89    HA   VAL  14           HA       VAL  14  20.335  61.221  88.607
   90    HB   VAL  14           HB       VAL  14  21.219  58.369  88.081
   91   1HG1  VAL  14          HG13      VAL  14  20.270  59.502  86.074
   92   2HG1  VAL  14          HG12      VAL  14  21.410  60.826  86.312
   93   3HG1  VAL  14          HG11      VAL  14  22.002  59.212  85.922
   94   1HG2  VAL  14          HG22      VAL  14  22.597  60.937  88.796
   95   2HG2  VAL  14          HG21      VAL  14  22.928  59.300  89.362
   96   3HG2  VAL  14          HG23      VAL  14  23.428  59.793  87.743
   97    H    GLY  15           HN       GLY  15  17.967  61.437  88.717
   98   1HA   GLY  15           HA2      GLY  15  15.959  61.230  87.473
   99   2HA   GLY  15           HA1      GLY  15  16.676  59.864  86.618
  100    H    ASN  16           HN       ASN  16  17.341  58.686  89.443
  101    HA   ASN  16           HA       ASN  16  16.298  56.953  90.665
  102   1HB   ASN  16           HB2      ASN  16  14.042  58.973  90.808
  103   2HB   ASN  16           HB1      ASN  16  14.414  57.707  91.979
  104   1HD2  ASN  16          HD22      ASN  16  16.880  61.004  91.823
  105   2HD2  ASN  16          HD21      ASN  16  16.023  60.549  90.432
  106    H    CYS  17           HN       CYS  17  15.732  57.132  87.692
  107    HA   CYS  17           HA       CYS  17  13.175  55.592  87.712
  108   1HB   CYS  17           HB2      CYS  17  14.262  57.578  85.720
  109   2HB   CYS  17           HB1      CYS  17  13.067  56.372  85.247
  110    H    ASN  18           HN       ASN  18  13.136  54.182  85.560
  111    HA   ASN  18           HA       ASN  18  15.648  52.620  85.629
  112   1HB   ASN  18           HB2      ASN  18  13.613  51.777  83.672
  113   2HB   ASN  18           HB1      ASN  18  14.456  50.832  84.880
  114   1HD2  ASN  18          HD22      ASN  18  11.590  50.715  86.916
  115   2HD2  ASN  18          HD21      ASN  18  13.028  49.976  86.398
  116    H    ARG  19           HN       ARG  19  17.244  52.982  84.190
  117    HA   ARG  19           HA       ARG  19  17.088  55.010  82.205
  118   1HB   ARG  19           HB2      ARG  19  19.254  54.035  81.383
  119   2HB   ARG  19           HB1      ARG  19  19.229  54.366  83.115
  120   1HG   ARG  19           HG2      ARG  19  18.290  51.836  83.137
  121   2HG   ARG  19           HG1      ARG  19  19.288  51.760  81.685
  122   1HD   ARG  19           HD2      ARG  19  20.724  51.158  83.502
  123   2HD   ARG  19           HD1      ARG  19  21.154  52.812  83.069
  124    HE   ARG  19           HE       ARG  19  19.137  52.639  85.181
  125   1HH1  ARG  19          HH21      ARG  19  22.407  51.836  84.795
  126   2HH1  ARG  19          HH22      ARG  19  22.964  52.783  86.133
  127   1HH2  ARG  19          HH11      ARG  19  19.876  54.240  86.732
  128   2HH2  ARG  19          HH12      ARG  19  21.532  54.143  87.231
  129    H    LEU  20           HN       LEU  20  15.844  51.829  82.065
  130    HA   LEU  20           HA       LEU  20  15.957  51.934  79.083
  131   1HB   LEU  20           HB2      LEU  20  15.581  49.529  79.068
  132   2HB   LEU  20           HB1      LEU  20  16.960  49.916  80.092
  133    HG   LEU  20           HG       LEU  20  14.210  49.659  81.291
  134   1HD1  LEU  20          HD13      LEU  20  15.562  47.591  79.902
  135   2HD1  LEU  20          HD12      LEU  20  15.763  47.265  81.623
  136   3HD1  LEU  20          HD11      LEU  20  14.145  47.441  80.944
  137   1HD2  LEU  20          HD21      LEU  20  16.861  50.176  82.223
  138   2HD2  LEU  20          HD23      LEU  20  15.387  50.019  83.180
  139   3HD2  LEU  20          HD22      LEU  20  16.373  48.597  82.838
  140    H    THR  21           HN       THR  21  13.631  51.357  81.764
  141    HA   THR  21           HA       THR  21  11.433  51.293  79.795
  142    HB   THR  21           HB       THR  21  10.125  51.238  82.120
  143    HG1  THR  21           HG1      THR  21  12.523  50.011  82.880
  144   1HG2  THR  21          HG22      THR  21  10.485  49.437  80.300
  145   2HG2  THR  21          HG21      THR  21  11.767  48.832  81.350
  146   3HG2  THR  21          HG23      THR  21  10.103  48.887  81.933
  147    H    GLY  22           HN       GLY  22  12.787  53.480  82.225
  148   1HA   GLY  22           HA2      GLY  22  12.506  55.848  82.262
  149   2HA   GLY  22           HA1      GLY  22  11.264  55.692  81.019
  150    H    GLU  23           HN       GLU  23  11.799  54.896  84.493
  151    HA   GLU  23           HA       GLU  23   9.259  56.099  85.218
  152   1HB   GLU  23           HB2      GLU  23   9.443  53.184  84.718
  153   2HB   GLU  23           HB1      GLU  23   8.679  53.641  86.239
  154   1HG   GLU  23           HG2      GLU  23   6.792  54.053  85.082
  155   2HG   GLU  23           HG1      GLU  23   7.625  55.412  84.328
  156    H    CYS  24           HN       CYS  24   9.145  56.402  87.474
  157    HA   CYS  24           HA       CYS  24  11.572  56.417  88.946
  158   1HB   CYS  24           HB2      CYS  24   8.687  56.785  89.582
  159   2HB   CYS  24           HB1      CYS  24   9.757  56.428  90.939
  160    H    LEU  25           HN       LEU  25  12.675  54.551  89.352
  161    HA   LEU  25           HA       LEU  25  11.135  52.349  90.630
  162   1HB   LEU  25           HB2      LEU  25  12.062  50.697  89.310
  163   2HB   LEU  25           HB1      LEU  25  11.880  52.007  88.164
  164    HG   LEU  25           HG       LEU  25  14.013  51.469  87.630
  165   1HD1  LEU  25          HD11      LEU  25  14.053  53.602  89.397
  166   2HD1  LEU  25          HD13      LEU  25  15.347  52.560  89.965
  167   3HD1  LEU  25          HD12      LEU  25  15.341  53.139  88.301
  168   1HD2  LEU  25          HD22      LEU  25  13.902  50.049  90.192
  169   2HD2  LEU  25          HD21      LEU  25  14.536  49.530  88.629
  170   3HD2  LEU  25          HD23      LEU  25  15.515  50.549  89.683
  171    H    LYS  26           HN       LYS  26  12.359  54.287  92.118
  172    HA   LYS  26           HA       LYS  26  14.386  52.684  93.562
  173   1HB   LYS  26           HB2      LYS  26  15.375  54.461  91.831
  174   2HB   LYS  26           HB1      LYS  26  15.023  55.578  93.150
  175   1HG   LYS  26           HG2      LYS  26  17.266  54.825  93.504
  176   2HG   LYS  26           HG1      LYS  26  16.271  53.963  94.679
  177   1HD   LYS  26           HD2      LYS  26  16.159  52.024  93.128
  178   2HD   LYS  26           HD1      LYS  26  17.220  52.881  92.009
  179   1HE   LYS  26           HE2      LYS  26  18.949  51.957  93.127
  180   2HE   LYS  26           HE1      LYS  26  18.550  53.045  94.455
  181   1HZ   LYS  26           HZ2      LYS  26  16.806  51.191  94.973
  182   2HZ   LYS  26           HZ1      LYS  26  17.891  50.211  94.111
  183   3HZ   LYS  26           HZ3      LYS  26  18.414  51.036  95.496
  184    H    CYS  27           HN       CYS  27  11.979  52.864  94.612
  185    HA   CYS  27           HA       CYS  27  11.121  55.199  95.919
  186   1HB   CYS  27           HB2      CYS  27  10.937  52.313  96.835
  187   2HB   CYS  27           HB1      CYS  27  10.022  53.639  97.548
  188    H    ILE  28           HN       ILE  28  11.504  56.027  98.048
  189    HA   ILE  28           HA       ILE  28  14.127  55.180  99.181
  190    HB   ILE  28           HB       ILE  28  13.568  57.580 100.389
  191   1HG1  ILE  28          HG12      ILE  28  12.991  58.054  97.492
  192   2HG1  ILE  28          HG11      ILE  28  11.667  57.702  98.595
  193   1HG2  ILE  28          HG23      ILE  28  15.073  56.988  97.834
  194   2HG2  ILE  28          HG22      ILE  28  15.232  58.482  98.759
  195   3HG2  ILE  28          HG21      ILE  28  15.722  56.945  99.473
  196   1HD1  ILE  28          HD12      ILE  28  12.695  59.544 100.094
  197   2HD1  ILE  28          HD11      ILE  28  13.582  60.021  98.647
  198   3HD1  ILE  28          HD13      ILE  28  11.818  60.054  98.652
  199    H    TYR  29           HN       TYR  29  11.163  56.671 100.448
  200    HA   TYR  29           HA       TYR  29  11.666  55.685 103.118
  201   1HB   TYR  29           HB2      TYR  29   9.090  56.799 101.988
  202   2HB   TYR  29           HB1      TYR  29   9.518  56.668 103.692
  203    HD1  TYR  29           HD1      TYR  29  12.584  57.360 102.627
  204    HD2  TYR  29           HD2      TYR  29   8.737  59.275 102.616
  205    HE1  TYR  29           HE1      TYR  29  13.686  59.579 102.513
  206    HE2  TYR  29           HE2      TYR  29   9.841  61.491 102.501
  207    HH   TYR  29           HH       TYR  29  13.185  61.909 103.050
  208    H    ASN  30           HN       ASN  30  11.808  53.309 102.140
  209    HA   ASN  30           HA       ASN  30  10.826  51.194 101.820
  210   1HB   ASN  30           HB2      ASN  30   9.569  52.354 104.309
  211   2HB   ASN  30           HB1      ASN  30   9.300  50.683 103.811
  212   1HD2  ASN  30          HD22      ASN  30  12.971  50.040 104.103
  213   2HD2  ASN  30          HD21      ASN  30  11.833  49.953 102.846
  214    H    THR  31           HN       THR  31   9.677  52.413  99.860
  215    HA   THR  31           HA       THR  31   6.750  51.899 100.239
  216    HB   THR  31           HB       THR  31   6.618  53.628  98.230
  217    HG1  THR  31           HG1      THR  31   8.342  55.253  99.191
  218   1HG2  THR  31          HG21      THR  31   5.825  53.689 100.757
  219   2HG2  THR  31          HG23      THR  31   7.129  54.866 100.905
  220   3HG2  THR  31          HG22      THR  31   5.809  55.152  99.771
  221    H    ALA  32           HN       ALA  32   5.657  51.084  98.295
  222    HA   ALA  32           HA       ALA  32   7.574  49.804  96.375
  223   1HB   ALA  32           HB2      ALA  32   5.456  48.648  98.049
  224   2HB   ALA  32           HB1      ALA  32   5.328  48.192  96.350
  225   3HB   ALA  32           HB3      ALA  32   6.811  47.856  97.245
  226    H    GLY  33           HN       GLY  33   5.684  48.760  94.603
  227   1HA   GLY  33           HA2      GLY  33   3.978  49.381  93.045
  228   2HA   GLY  33           HA1      GLY  33   3.897  50.970  93.801
  229    H    PHE  34           HN       PHE  34   4.174  50.289  90.943
  230    HA   PHE  34           HA       PHE  34   6.774  50.614  89.929
  231   1HB   PHE  34           HB2      PHE  34   4.379  50.361  88.750
  232   2HB   PHE  34           HB1      PHE  34   4.528  52.108  88.598
  233    HD1  PHE  34           HD2      PHE  34   7.766  51.626  88.549
  234    HD2  PHE  34           HD1      PHE  34   4.407  50.336  86.195
  235    HE1  PHE  34           HE2      PHE  34   9.253  51.321  86.597
  236    HE2  PHE  34           HE1      PHE  34   5.903  50.032  84.245
  237    HZ   PHE  34           HZ       PHE  34   8.323  50.525  84.444
  238    H    TYR  35           HN       TYR  35   4.602  53.074  91.296
  239    HA   TYR  35           HA       TYR  35   6.823  55.049  90.934
  240   1HB   TYR  35           HB2      TYR  35   3.827  55.530  90.975
  241   2HB   TYR  35           HB1      TYR  35   5.042  56.807  90.964
  242    HD1  TYR  35           HD2      TYR  35   7.072  55.879  89.127
  243    HD2  TYR  35           HD1      TYR  35   2.804  55.474  88.874
  244    HE1  TYR  35           HE2      TYR  35   7.235  55.712  86.657
  245    HE2  TYR  35           HE1      TYR  35   2.965  55.308  86.405
  246    HH   TYR  35           HH       TYR  35   5.838  56.057  84.698
  247    H    CYS  36           HN       CYS  36   6.591  53.252  93.173
  248    HA   CYS  36           HA       CYS  36   6.591  53.308  95.519
  249   1HB   CYS  36           HB2      CYS  36   6.845  56.296  95.072
  250   2HB   CYS  36           HB1      CYS  36   7.271  55.417  96.541
  251    H    ASP  37           HN       ASP  37   4.016  53.461  94.116
  252    HA   ASP  37           HA       ASP  37   2.390  55.297  95.764
  253   1HB   ASP  37           HB2      ASP  37   0.494  54.156  94.421
  254   2HB   ASP  37           HB1      ASP  37   1.611  55.195  93.535
  255    H    ARG  38           HN       ARG  38   3.851  52.628  96.607
  256    HA   ARG  38           HA       ARG  38   1.533  51.603  98.159
  257   1HB   ARG  38           HB2      ARG  38   2.734  50.185  96.137
  258   2HB   ARG  38           HB1      ARG  38   3.656  49.650  97.541
  259   1HG   ARG  38           HG2      ARG  38   1.582  49.045  98.705
  260   2HG   ARG  38           HG1      ARG  38   0.629  49.630  97.340
  261   1HD   ARG  38           HD2      ARG  38   1.232  47.852  95.976
  262   2HD   ARG  38           HD1      ARG  38   2.757  47.587  96.822
  263    HE   ARG  38           HE       ARG  38   0.394  47.017  98.451
  264   1HH1  ARG  38          HH21      ARG  38   3.359  45.863  97.621
  265   2HH1  ARG  38          HH22      ARG  38   2.892  44.206  97.427
  266   1HH2  ARG  38          HH11      ARG  38  -0.508  44.869  97.578
  267   2HH2  ARG  38          HH12      ARG  38   0.703  43.644  97.401
  268    H    CYS  39           HN       CYS  39   2.633  50.036  99.913
  269    HA   CYS  39           HA       CYS  39   4.950  51.501 101.108
  270   1HB   CYS  39           HB2      CYS  39   2.420  50.469 102.413
  271   2HB   CYS  39           HB1      CYS  39   3.845  50.865 103.358
  272    H    LYS  40           HN       LYS  40   6.670  50.111 101.601
  273    HA   LYS  40           HA       LYS  40   6.655  47.392 100.833
  274   1HB   LYS  40           HB2      LYS  40   8.776  48.419 101.101
  275   2HB   LYS  40           HB1      LYS  40   8.394  48.966 102.732
  276   1HG   LYS  40           HG2      LYS  40   8.493  46.722 103.597
  277   2HG   LYS  40           HG1      LYS  40   8.603  46.043 101.972
  278   1HD   LYS  40           HD2      LYS  40  10.671  48.053 102.589
  279   2HD   LYS  40           HD1      LYS  40  10.765  46.589 103.569
  280   1HE   LYS  40           HE2      LYS  40  10.227  45.780 100.894
  281   2HE   LYS  40           HE1      LYS  40  11.548  46.949 100.836
  282   1HZ   LYS  40           HZ1      LYS  40  11.534  44.748 102.806
  283   2HZ   LYS  40           HZ3      LYS  40  12.127  44.513 101.235
  284   3HZ   LYS  40           HZ2      LYS  40  12.849  45.668 102.249
  285    H    GLU  41           HN       GLU  41   6.304  45.477 101.954
  286    HA   GLU  41           HA       GLU  41   4.395  45.475 104.078
  287   1HB   GLU  41           HB2      GLU  41   5.133  43.020 104.302
  288   2HB   GLU  41           HB1      GLU  41   4.487  43.518 102.739
  289   1HG   GLU  41           HG2      GLU  41   6.520  43.351 101.690
  290   2HG   GLU  41           HG1      GLU  41   7.417  43.846 103.128
  291    H    GLY  42           HN       GLY  42   4.668  45.468 106.296
  292   1HA   GLY  42           HA2      GLY  42   6.192  44.731 108.199
  293   2HA   GLY  42           HA1      GLY  42   7.491  45.529 107.295
  294    H    PHE  43           HN       PHE  43   6.026  47.685 106.308
  295    HA   PHE  43           HA       PHE  43   5.279  49.125 108.801
  296   1HB   PHE  43           HB2      PHE  43   6.390  50.523 106.385
  297   2HB   PHE  43           HB1      PHE  43   6.280  51.082 108.057
  298    HD1  PHE  43           HD2      PHE  43   7.764  50.049 109.809
  299    HD2  PHE  43           HD1      PHE  43   8.247  49.229 105.621
  300    HE1  PHE  43           HE2      PHE  43  10.040  49.166 110.245
  301    HE2  PHE  43           HE1      PHE  43  10.521  48.343 106.056
  302    HZ   PHE  43           HZ       PHE  43  11.418  48.311 108.367
  303    H    PHE  44           HN       PHE  44   3.354  49.978 108.745
  304    HA   PHE  44           HA       PHE  44   1.826  49.963 106.179
  305   1HB   PHE  44           HB2      PHE  44   0.395  50.228 108.779
  306   2HB   PHE  44           HB1      PHE  44  -0.065  49.334 107.332
  307    HD1  PHE  44           HD1      PHE  44   2.175  49.293 110.304
  308    HD2  PHE  44           HD2      PHE  44   0.491  47.024 107.066
  309    HE1  PHE  44           HE1      PHE  44   3.039  47.201 111.320
  310    HE2  PHE  44           HE2      PHE  44   1.355  44.934 108.084
  311    HZ   PHE  44           HZ       PHE  44   2.628  45.022 110.209
  312    H    GLY  45           HN       GLY  45  -0.052  51.717 106.322
  313   1HA   GLY  45           HA2      GLY  45  -0.424  53.983 107.514
  314   2HA   GLY  45           HA1      GLY  45   1.279  54.246 107.179
  315    H    ASN  46           HN       ASN  46   1.118  55.928 105.770
  316    HA   ASN  46           HA       ASN  46  -0.215  55.340 103.153
  317   1HB   ASN  46           HB2      ASN  46  -0.646  57.616 105.003
  318   2HB   ASN  46           HB1      ASN  46  -0.467  58.042 103.301
  319   1HD2  ASN  46          HD22      ASN  46  -3.940  56.482 104.535
  320   2HD2  ASN  46          HD21      ASN  46  -2.747  57.059 105.596
  321    HA   PRO  47           HA       PRO  47   3.936  56.511 101.991
  322   1HB   PRO  47           HB2      PRO  47   3.657  55.950  99.323
  323   2HB   PRO  47           HB1      PRO  47   3.950  54.714 100.556
  324   1HG   PRO  47           HG2      PRO  47   1.422  55.349  99.104
  325   2HG   PRO  47           HG1      PRO  47   1.951  53.816  99.819
  326   1HD   PRO  47           HD2      PRO  47   0.091  55.617 100.956
  327   2HD   PRO  47           HD1      PRO  47   0.886  54.268 101.796
  328    H    LEU  48           HN       LEU  48   1.000  58.001 101.100
  329    HA   LEU  48           HA       LEU  48   2.466  60.143  99.614
  330   1HB   LEU  48           HB2      LEU  48   0.302  58.809  98.732
  331   2HB   LEU  48           HB1      LEU  48  -0.511  60.087  99.635
  332    HG   LEU  48           HG       LEU  48   1.145  61.682  98.394
  333   1HD1  LEU  48          HD12      LEU  48   1.865  59.146  97.294
  334   2HD1  LEU  48          HD11      LEU  48   1.116  60.097  96.012
  335   3HD1  LEU  48          HD13      LEU  48   2.513  60.734  96.882
  336   1HD2  LEU  48          HD22      LEU  48  -1.461  60.709  97.843
  337   2HD2  LEU  48          HD21      LEU  48  -0.757  62.241  97.324
  338   3HD2  LEU  48          HD23      LEU  48  -0.629  60.815  96.292
  339    H    ALA  49           HN       ALA  49   2.551  59.999 102.488
  340    HA   ALA  49           HA       ALA  49   0.675  62.137 103.351
  341   1HB   ALA  49           HB2      ALA  49   1.551  59.863 104.643
  342   2HB   ALA  49           HB1      ALA  49   2.598  61.107 105.326
  343   3HB   ALA  49           HB3      ALA  49   0.847  61.268 105.444
  344    HA   PRO  50           HA       PRO  50   3.854  65.171 103.113
  345   1HB   PRO  50           HB2      PRO  50   2.896  66.931 105.002
  346   2HB   PRO  50           HB1      PRO  50   2.209  66.770 103.376
  347   1HG   PRO  50           HG2      PRO  50   1.140  65.762 105.981
  348   2HG   PRO  50           HG1      PRO  50   0.262  66.248 104.519
  349   1HD   PRO  50           HD2      PRO  50   0.763  63.593 105.292
  350   2HD   PRO  50           HD1      PRO  50   0.301  64.121 103.658
  351    H    ASN  51           HN       ASN  51   2.987  63.659 106.139
  352    HA   ASN  51           HA       ASN  51   5.552  64.518 107.379
  353   1HB   ASN  51           HB2      ASN  51   3.116  64.468 108.500
  354   2HB   ASN  51           HB1      ASN  51   3.600  62.808 108.847
  355   1HD2  ASN  51          HD22      ASN  51   5.941  65.808 110.432
  356   2HD2  ASN  51          HD21      ASN  51   5.218  66.044 108.915
  357    HA   PRO  52           HA       PRO  52   7.136  60.496 106.340
  358   1HB   PRO  52           HB2      PRO  52   9.463  60.691 107.794
  359   2HB   PRO  52           HB1      PRO  52   9.222  61.460 106.216
  360   1HG   PRO  52           HG2      PRO  52   9.239  62.704 108.928
  361   2HG   PRO  52           HG1      PRO  52   9.658  63.415 107.361
  362   1HD   PRO  52           HD2      PRO  52   7.228  63.812 108.739
  363   2HD   PRO  52           HD1      PRO  52   7.523  64.179 107.024
  364    H    ALA  53           HN       ALA  53   6.411  61.634 109.555
  365    HA   ALA  53           HA       ALA  53   7.017  59.070 110.852
  366   1HB   ALA  53           HB3      ALA  53   5.962  61.732 111.710
  367   2HB   ALA  53           HB2      ALA  53   5.561  60.333 112.706
  368   3HB   ALA  53           HB1      ALA  53   7.249  60.755 112.416
  369    H    ASP  54           HN       ASP  54   4.454  60.382 109.032
  370    HA   ASP  54           HA       ASP  54   2.561  58.354 110.154
  371   1HB   ASP  54           HB2      ASP  54   2.173  61.100 109.025
  372   2HB   ASP  54           HB1      ASP  54   0.903  59.906 108.759
  373    H    LYS  55           HN       LYS  55   4.722  58.509 107.806
  374    HA   LYS  55           HA       LYS  55   3.082  57.910 105.484
  375   1HB   LYS  55           HB2      LYS  55   5.466  58.917 105.542
  376   2HB   LYS  55           HB1      LYS  55   6.019  57.257 105.728
  377   1HG   LYS  55           HG2      LYS  55   5.014  56.610 103.631
  378   2HG   LYS  55           HG1      LYS  55   4.152  58.142 103.513
  379   1HD   LYS  55           HD2      LYS  55   7.168  57.991 103.597
  380   2HD   LYS  55           HD1      LYS  55   6.258  57.939 102.087
  381   1HE   LYS  55           HE2      LYS  55   5.414  60.104 103.886
  382   2HE   LYS  55           HE1      LYS  55   7.088  60.248 103.348
  383   1HZ   LYS  55           HZ2      LYS  55   5.565  59.475 101.151
  384   2HZ   LYS  55           HZ1      LYS  55   4.734  60.754 101.900
  385   3HZ   LYS  55           HZ3      LYS  55   6.343  60.963 101.409
  386    H    CYS  56           HN       CYS  56   5.319  55.565 105.103
  387    HA   CYS  56           HA       CYS  56   3.441  53.480 106.043
  388   1HB   CYS  56           HB2      CYS  56   6.044  52.934 104.619
  389   2HB   CYS  56           HB1      CYS  56   4.560  51.988 104.599
  390    H    LYS  57           HN       LYS  57   3.949  53.855 108.353
  391    HA   LYS  57           HA       LYS  57   6.652  52.825 109.114
  392   1HB   LYS  57           HB2      LYS  57   4.901  54.957 110.236
  393   2HB   LYS  57           HB1      LYS  57   5.795  53.973 111.396
  394   1HG   LYS  57           HG2      LYS  57   7.529  55.374 110.990
  395   2HG   LYS  57           HG1      LYS  57   7.702  54.499 109.469
  396   1HD   LYS  57           HD2      LYS  57   5.609  56.507 109.287
  397   2HD   LYS  57           HD1      LYS  57   7.146  57.230 109.762
  398   1HE   LYS  57           HE2      LYS  57   6.681  55.438 107.360
  399   2HE   LYS  57           HE1      LYS  57   6.989  57.174 107.322
  400   1HZ   LYS  57           HZ2      LYS  57   9.033  56.176 108.816
  401   2HZ   LYS  57           HZ1      LYS  57   8.835  55.006 107.599
  402   3HZ   LYS  57           HZ3      LYS  57   9.124  56.623 107.179
  403    H    ALA  58           HN       ALA  58   6.621  51.632 111.267
  404    HA   ALA  58           HA       ALA  58   4.724  49.468 111.136
  405   1HB   ALA  58           HB2      ALA  58   7.100  49.391 112.078
  406   2HB   ALA  58           HB1      ALA  58   6.449  50.171 113.519
  407   3HB   ALA  58           HB3      ALA  58   5.864  48.577 113.038
   
  No H/Q in entry =         407
  Start of MODEL    6
    1   1H    ARG   1           HT3      ARG   1  14.175  69.487  84.624
    2   2H    ARG   1           HT2      ARG   1  14.214  69.324  82.934
    3   3H    ARG   1           HT1      ARG   1  13.020  70.283  83.670
    4    HA   ARG   1           HA       ARG   1  11.877  68.456  84.519
    5   1HB   ARG   1           HB2      ARG   1  12.449  68.661  81.770
    6   2HB   ARG   1           HB1      ARG   1  12.561  66.941  82.148
    7   1HG   ARG   1           HG2      ARG   1  10.346  66.958  83.141
    8   2HG   ARG   1           HG1      ARG   1  10.234  68.708  82.951
    9   1HD   ARG   1           HD2      ARG   1   9.006  67.468  81.167
   10   2HD   ARG   1           HD1      ARG   1  10.290  68.491  80.523
   11    HE   ARG   1           HE       ARG   1  11.681  66.353  80.431
   12   1HH1  ARG   1          HH21      ARG   1  10.467  64.143  81.409
   13   2HH1  ARG   1          HH22      ARG   1   9.348  63.573  80.214
   14   1HH2  ARG   1          HH11      ARG   1   9.275  66.573  78.474
   15   2HH2  ARG   1          HH12      ARG   1   8.670  64.952  78.554
   16    HA   PRO   2           HA       PRO   2  15.206  65.706  85.991
   17   1HB   PRO   2           HB2      PRO   2  14.204  65.543  88.545
   18   2HB   PRO   2           HB1      PRO   2  15.297  66.827  88.000
   19   1HG   PRO   2           HG2      PRO   2  12.366  66.958  88.529
   20   2HG   PRO   2           HG1      PRO   2  13.577  68.248  88.596
   21   1HD   PRO   2           HD2      PRO   2  11.739  67.798  86.488
   22   2HD   PRO   2           HD1      PRO   2  13.150  68.877  86.434
   23    H    CYS   3           HN       CYS   3  14.877  63.539  87.277
   24    HA   CYS   3           HA       CYS   3  12.336  62.265  86.336
   25   1HB   CYS   3           HB2      CYS   3  13.696  60.132  86.344
   26   2HB   CYS   3           HB1      CYS   3  14.223  61.320  85.151
   27    H    GLN   4           HN       GLN   4  11.211  62.656  88.330
   28    HA   GLN   4           HA       GLN   4  11.933  60.766  90.473
   29   1HB   GLN   4           HB2      GLN   4  11.752  63.752  90.973
   30   2HB   GLN   4           HB1      GLN   4  11.855  62.522  92.230
   31   1HG   GLN   4           HG2      GLN   4  14.041  61.805  91.392
   32   2HG   GLN   4           HG1      GLN   4  13.935  62.969  90.070
   33   1HE2  GLN   4          HE22      GLN   4  15.900  64.744  92.613
   34   2HE2  GLN   4          HE21      GLN   4  16.115  63.499  91.479
   35    H    CYS   5           HN       CYS   5   9.992  59.773  90.868
   36    HA   CYS   5           HA       CYS   5   7.462  61.019  90.190
   37   1HB   CYS   5           HB2      CYS   5   7.664  58.729  92.133
   38   2HB   CYS   5           HB1      CYS   5   6.456  59.020  90.884
   39    H    ASN   6           HN       ASN   6   6.440  59.889  92.994
   40    HA   ASN   6           HA       ASN   6   6.159  62.421  94.252
   41   1HB   ASN   6           HB2      ASN   6   6.086  59.635  95.457
   42   2HB   ASN   6           HB1      ASN   6   5.586  61.099  96.306
   43   1HD2  ASN   6          HD21      ASN   6   4.187  58.571  94.845
   44   2HD2  ASN   6          HD22      ASN   6   2.851  59.317  94.111
   45    H    ASP   7           HN       ASP   7   7.086  62.415  96.800
   46    HA   ASP   7           HA       ASP   7   9.978  62.730  96.374
   47   1HB   ASP   7           HB2      ASP   7   8.335  64.232  97.772
   48   2HB   ASP   7           HB1      ASP   7   8.653  63.056  99.047
   49    H    ASN   8           HN       ASN   8  10.052  60.191  96.031
   50    HA   ASN   8           HA       ASN   8  10.830  59.041  98.679
   51   1HB   ASN   8           HB2      ASN   8   9.431  57.336  96.631
   52   2HB   ASN   8           HB1      ASN   8   9.612  57.060  98.365
   53   1HD2  ASN   8          HD22      ASN   8   6.239  58.707  97.199
   54   2HD2  ASN   8          HD21      ASN   8   7.217  57.667  96.281
   55    H    ILE   9           HN       ILE   9  12.831  59.980  97.205
   56    HA   ILE   9           HA       ILE   9  14.142  57.540  96.179
   57    HB   ILE   9           HB       ILE   9  14.929  58.860  94.139
   58   1HG1  ILE   9          HG12      ILE   9  12.645  60.491  93.829
   59   2HG1  ILE   9          HG11      ILE   9  13.265  60.830  95.446
   60   1HG2  ILE   9          HG22      ILE   9  13.057  57.065  94.285
   61   2HG2  ILE   9          HG21      ILE   9  11.945  58.427  94.123
   62   3HG2  ILE   9          HG23      ILE   9  13.116  58.087  92.848
   63   1HD1  ILE   9          HD13      ILE   9  15.545  61.133  94.456
   64   2HD1  ILE   9          HD12      ILE   9  14.834  60.938  92.853
   65   3HD1  ILE   9          HD11      ILE   9  14.374  62.310  93.861
   66    H    ASP  10           HN       ASP  10  16.465  57.798  96.112
   67    HA   ASP  10           HA       ASP  10  17.387  60.077  97.802
   68   1HB   ASP  10           HB2      ASP  10  18.126  57.218  97.609
   69   2HB   ASP  10           HB1      ASP  10  19.473  58.335  97.829
   70    HA   PRO  11           HA       PRO  11  19.472  61.449  94.104
   71   1HB   PRO  11           HB2      PRO  11  20.729  63.585  95.279
   72   2HB   PRO  11           HB1      PRO  11  19.025  63.594  94.796
   73   1HG   PRO  11           HG2      PRO  11  20.204  63.373  97.528
   74   2HG   PRO  11           HG1      PRO  11  18.638  64.039  97.032
   75   1HD   PRO  11           HD2      PRO  11  19.040  61.496  98.176
   76   2HD   PRO  11           HD1      PRO  11  17.580  62.030  97.312
   77    H    ASN  12           HN       ASN  12  20.857  60.114  96.855
   78    HA   ASN  12           HA       ASN  12  23.655  60.672  96.245
   79   1HB   ASN  12           HB2      ASN  12  22.285  58.734  98.123
   80   2HB   ASN  12           HB1      ASN  12  24.039  58.821  97.959
   81   1HD2  ASN  12          HD22      ASN  12  23.935  62.369  99.139
   82   2HD2  ASN  12          HD21      ASN  12  24.448  61.595  97.717
   83    H    ALA  13           HN       ALA  13  22.070  57.463  96.467
   84    HA   ALA  13           HA       ALA  13  23.954  56.148  94.811
   85   1HB   ALA  13           HB3      ALA  13  21.394  55.525  96.015
   86   2HB   ALA  13           HB2      ALA  13  21.490  54.850  94.388
   87   3HB   ALA  13           HB1      ALA  13  22.715  54.436  95.588
   88    H    VAL  14           HN       VAL  14  23.593  55.320  92.573
   89    HA   VAL  14           HA       VAL  14  22.224  57.394  90.916
   90    HB   VAL  14           HB       VAL  14  24.269  55.360  89.992
   91   1HG1  VAL  14          HG11      VAL  14  22.707  57.524  88.771
   92   2HG1  VAL  14          HG13      VAL  14  24.438  57.656  88.457
   93   3HG1  VAL  14          HG12      VAL  14  23.570  56.190  88.004
   94   1HG2  VAL  14          HG22      VAL  14  24.775  57.340  91.840
   95   2HG2  VAL  14          HG21      VAL  14  25.972  56.677  90.729
   96   3HG2  VAL  14          HG23      VAL  14  25.117  58.164  90.319
   97    H    GLY  15           HN       GLY  15  20.663  56.754  89.406
   98   1HA   GLY  15           HA2      GLY  15  19.618  54.993  88.015
   99   2HA   GLY  15           HA1      GLY  15  20.065  53.832  89.270
  100    H    ASN  16           HN       ASN  16  19.158  56.240  91.183
  101    HA   ASN  16           HA       ASN  16  16.833  55.196  92.188
  102   1HB   ASN  16           HB2      ASN  16  17.528  58.121  91.833
  103   2HB   ASN  16           HB1      ASN  16  16.186  57.552  92.826
  104   1HD2  ASN  16          HD22      ASN  16  20.026  57.084  94.156
  105   2HD2  ASN  16          HD21      ASN  16  19.733  57.572  92.557
  106    H    CYS  17           HN       CYS  17  17.114  57.093  89.218
  107    HA   CYS  17           HA       CYS  17  14.215  56.560  88.797
  108   1HB   CYS  17           HB2      CYS  17  13.970  58.639  87.634
  109   2HB   CYS  17           HB1      CYS  17  14.845  59.006  89.119
  110    H    ASN  18           HN       ASN  18  13.786  55.293  87.079
  111    HA   ASN  18           HA       ASN  18  15.961  54.758  85.139
  112   1HB   ASN  18           HB2      ASN  18  13.837  53.212  86.355
  113   2HB   ASN  18           HB1      ASN  18  13.899  52.995  84.613
  114   1HD2  ASN  18          HD22      ASN  18  17.544  52.337  86.387
  115   2HD2  ASN  18          HD21      ASN  18  16.709  53.789  86.666
  116    H    ARG  19           HN       ARG  19  15.880  55.772  83.221
  117    HA   ARG  19           HA       ARG  19  13.405  57.017  82.268
  118   1HB   ARG  19           HB2      ARG  19  14.796  57.792  80.391
  119   2HB   ARG  19           HB1      ARG  19  15.606  58.108  81.927
  120   1HG   ARG  19           HG2      ARG  19  17.216  56.490  81.574
  121   2HG   ARG  19           HG1      ARG  19  16.146  55.495  80.584
  122   1HD   ARG  19           HD2      ARG  19  17.846  56.474  79.148
  123   2HD   ARG  19           HD1      ARG  19  16.293  57.223  78.779
  124    HE   ARG  19           HE       ARG  19  17.518  59.201  79.213
  125   1HH1  ARG  19          HH11      ARG  19  19.796  57.420  80.449
  126   2HH1  ARG  19          HH12      ARG  19  19.930  58.168  82.006
  127   1HH2  ARG  19          HH21      ARG  19  16.946  59.912  81.719
  128   2HH2  ARG  19          HH22      ARG  19  18.316  59.579  82.724
  129    H    LEU  20           HN       LEU  20  15.158  54.042  81.732
  130    HA   LEU  20           HA       LEU  20  13.634  53.480  79.260
  131   1HB   LEU  20           HB2      LEU  20  14.967  51.278  79.389
  132   2HB   LEU  20           HB1      LEU  20  15.878  52.758  79.088
  133    HG   LEU  20           HG       LEU  20  15.493  52.075  81.941
  134   1HD1  LEU  20          HD11      LEU  20  15.900  49.846  80.835
  135   2HD1  LEU  20          HD13      LEU  20  17.428  50.490  80.233
  136   3HD1  LEU  20          HD12      LEU  20  17.163  50.328  81.969
  137   1HD2  LEU  20          HD21      LEU  20  17.099  53.753  80.388
  138   2HD2  LEU  20          HD23      LEU  20  17.292  53.431  82.111
  139   3HD2  LEU  20          HD22      LEU  20  18.195  52.482  80.930
  140    H    THR  21           HN       THR  21  13.821  52.291  82.623
  141    HA   THR  21           HA       THR  21  11.718  50.281  82.087
  142    HB   THR  21           HB       THR  21  12.015  49.595  84.338
  143    HG1  THR  21           HG1      THR  21  12.796  50.879  85.896
  144   1HG2  THR  21          HG22      THR  21  13.957  49.145  82.856
  145   2HG2  THR  21          HG21      THR  21  14.705  50.642  83.415
  146   3HG2  THR  21          HG23      THR  21  14.435  49.316  84.545
  147    H    GLY  22           HN       GLY  22  11.614  53.561  82.239
  148   1HA   GLY  22           HA2      GLY  22   9.227  54.416  82.280
  149   2HA   GLY  22           HA1      GLY  22   9.078  53.577  83.825
  150    H    GLU  23           HN       GLU  23  10.536  54.408  85.653
  151    HA   GLU  23           HA       GLU  23  12.098  56.740  85.385
  152   1HB   GLU  23           HB2      GLU  23  10.271  57.976  84.664
  153   2HB   GLU  23           HB1      GLU  23   9.172  57.193  85.796
  154   1HG   GLU  23           HG2      GLU  23   9.509  58.891  87.238
  155   2HG   GLU  23           HG1      GLU  23  11.203  58.420  87.355
  156    H    CYS  24           HN       CYS  24   9.776  55.095  87.622
  157    HA   CYS  24           HA       CYS  24  11.573  55.921  89.845
  158   1HB   CYS  24           HB2      CYS  24   8.734  55.134  89.637
  159   2HB   CYS  24           HB1      CYS  24   9.584  54.408  91.003
  160    H    LEU  25           HN       LEU  25  13.199  54.507  90.341
  161    HA   LEU  25           HA       LEU  25  12.700  51.657  89.605
  162   1HB   LEU  25           HB2      LEU  25  14.619  53.382  88.643
  163   2HB   LEU  25           HB1      LEU  25  15.509  52.476  89.827
  164    HG   LEU  25           HG       LEU  25  14.413  51.701  87.218
  165   1HD1  LEU  25          HD12      LEU  25  16.861  51.715  88.349
  166   2HD1  LEU  25          HD11      LEU  25  16.401  50.042  88.670
  167   3HD1  LEU  25          HD13      LEU  25  16.433  50.646  87.013
  168   1HD2  LEU  25          HD22      LEU  25  13.910  50.019  89.634
  169   2HD2  LEU  25          HD21      LEU  25  12.909  50.253  88.200
  170   3HD2  LEU  25          HD23      LEU  25  14.342  49.229  88.116
  171    H    LYS  26           HN       LYS  26  13.412  53.724  92.269
  172    HA   LYS  26           HA       LYS  26  13.683  51.339  93.978
  173   1HB   LYS  26           HB2      LYS  26  15.852  53.414  94.196
  174   2HB   LYS  26           HB1      LYS  26  15.814  51.784  94.861
  175   1HG   LYS  26           HG2      LYS  26  15.926  50.841  92.588
  176   2HG   LYS  26           HG1      LYS  26  15.959  52.468  91.910
  177   1HD   LYS  26           HD2      LYS  26  18.227  52.090  92.001
  178   2HD   LYS  26           HD1      LYS  26  17.999  52.709  93.637
  179   1HE   LYS  26           HE2      LYS  26  17.818  50.442  94.515
  180   2HE   LYS  26           HE1      LYS  26  17.911  49.772  92.886
  181   1HZ   LYS  26           HZ1      LYS  26  20.082  51.513  93.311
  182   2HZ   LYS  26           HZ3      LYS  26  20.016  50.401  94.590
  183   3HZ   LYS  26           HZ2      LYS  26  20.106  49.845  92.987
  184    H    CYS  27           HN       CYS  27  11.559  52.470  94.703
  185    HA   CYS  27           HA       CYS  27  11.491  55.046  95.864
  186   1HB   CYS  27           HB2      CYS  27  10.066  52.551  96.857
  187   2HB   CYS  27           HB1      CYS  27   9.584  54.215  97.172
  188    H    ILE  28           HN       ILE  28  12.013  55.781  97.999
  189    HA   ILE  28           HA       ILE  28  13.945  54.005  99.381
  190    HB   ILE  28           HB       ILE  28  14.035  56.352 100.787
  191   1HG1  ILE  28          HG12      ILE  28  13.944  57.219  97.918
  192   2HG1  ILE  28          HG11      ILE  28  12.473  57.245  98.884
  193   1HG2  ILE  28          HG23      ILE  28  15.611  54.914  98.814
  194   2HG2  ILE  28          HG22      ILE  28  15.876  56.653  98.698
  195   3HG2  ILE  28          HG21      ILE  28  16.151  55.820 100.227
  196   1HD1  ILE  28          HD11      ILE  28  14.347  58.391 100.569
  197   2HD1  ILE  28          HD13      ILE  28  14.793  59.025  98.986
  198   3HD1  ILE  28          HD12      ILE  28  13.161  59.273  99.608
  199    H    TYR  29           HN       TYR  29  11.509  56.284 100.557
  200    HA   TYR  29           HA       TYR  29  11.375  55.321 103.181
  201   1HB   TYR  29           HB2      TYR  29   9.168  56.614 101.565
  202   2HB   TYR  29           HB1      TYR  29   9.218  56.495 103.325
  203    HD1  TYR  29           HD1      TYR  29  12.118  56.975 103.826
  204    HD2  TYR  29           HD2      TYR  29   9.374  58.942 101.169
  205    HE1  TYR  29           HE1      TYR  29  13.497  59.036 103.926
  206    HE2  TYR  29           HE2      TYR  29  10.753  61.001 101.268
  207    HH   TYR  29           HH       TYR  29  12.552  61.968 102.124
  208    H    ASN  30           HN       ASN  30  11.393  53.004 102.917
  209    HA   ASN  30           HA       ASN  30  10.398  50.870 102.399
  210   1HB   ASN  30           HB2      ASN  30   9.347  52.291 104.769
  211   2HB   ASN  30           HB1      ASN  30   8.435  50.864 104.271
  212   1HD2  ASN  30          HD22      ASN  30  11.463  50.017 106.493
  213   2HD2  ASN  30          HD21      ASN  30  10.321  51.263 106.640
  214    H    THR  31           HN       THR  31   9.423  52.318 100.340
  215    HA   THR  31           HA       THR  31   6.497  51.672 100.419
  216    HB   THR  31           HB       THR  31   6.241  53.421  98.637
  217    HG1  THR  31           HG1      THR  31   8.828  53.285  98.596
  218   1HG2  THR  31          HG22      THR  31   6.517  53.708 101.422
  219   2HG2  THR  31          HG21      THR  31   7.364  55.082 100.713
  220   3HG2  THR  31          HG23      THR  31   5.672  54.792 100.317
  221    H    ALA  32           HN       ALA  32   5.616  50.666  98.541
  222    HA   ALA  32           HA       ALA  32   7.714  49.549  96.717
  223   1HB   ALA  32           HB3      ALA  32   6.633  47.913  98.319
  224   2HB   ALA  32           HB2      ALA  32   5.108  48.207  97.481
  225   3HB   ALA  32           HB1      ALA  32   6.467  47.491  96.615
  226    H    GLY  33           HN       GLY  33   6.325  48.487  94.727
  227   1HA   GLY  33           HA2      GLY  33   4.738  48.892  92.983
  228   2HA   GLY  33           HA1      GLY  33   4.240  50.371  93.807
  229    H    PHE  34           HN       PHE  34   5.056  50.011  90.985
  230    HA   PHE  34           HA       PHE  34   7.687  50.928  90.506
  231   1HB   PHE  34           HB2      PHE  34   5.944  50.128  88.796
  232   2HB   PHE  34           HB1      PHE  34   5.293  51.765  88.843
  233    HD1  PHE  34           HD2      PHE  34   8.685  50.154  88.663
  234    HD2  PHE  34           HD1      PHE  34   6.044  53.182  87.137
  235    HE1  PHE  34           HE2      PHE  34  10.445  50.891  87.088
  236    HE2  PHE  34           HE1      PHE  34   7.808  53.916  85.560
  237    HZ   PHE  34           HZ       PHE  34  10.006  52.771  85.538
  238    H    TYR  35           HN       TYR  35   4.838  52.744  91.573
  239    HA   TYR  35           HA       TYR  35   6.498  55.228  91.443
  240   1HB   TYR  35           HB2      TYR  35   3.490  54.870  91.346
  241   2HB   TYR  35           HB1      TYR  35   4.287  56.435  91.506
  242    HD1  TYR  35           HD2      TYR  35   6.532  56.402  89.760
  243    HD2  TYR  35           HD1      TYR  35   2.689  54.574  89.179
  244    HE1  TYR  35           HE2      TYR  35   6.864  56.488  87.305
  245    HE2  TYR  35           HE1      TYR  35   3.019  54.660  86.722
  246    HH   TYR  35           HH       TYR  35   5.768  54.934  85.248
  247    H    CYS  36           HN       CYS  36   6.351  53.127  93.611
  248    HA   CYS  36           HA       CYS  36   6.164  53.052  95.953
  249   1HB   CYS  36           HB2      CYS  36   6.199  56.032  96.109
  250   2HB   CYS  36           HB1      CYS  36   7.130  54.852  97.027
  251    H    ASP  37           HN       ASP  37   3.735  52.736  94.889
  252    HA   ASP  37           HA       ASP  37   1.915  54.777  96.047
  253   1HB   ASP  37           HB2      ASP  37   1.764  52.820  93.880
  254   2HB   ASP  37           HB1      ASP  37   0.344  52.780  94.927
  255    H    ARG  38           HN       ARG  38   3.340  51.840  96.996
  256    HA   ARG  38           HA       ARG  38   1.197  51.526  99.038
  257   1HB   ARG  38           HB2      ARG  38   1.796  49.669  97.027
  258   2HB   ARG  38           HB1      ARG  38   2.597  49.041  98.469
  259   1HG   ARG  38           HG2      ARG  38   0.633  48.527  99.465
  260   2HG   ARG  38           HG1      ARG  38  -0.087  50.075  99.023
  261   1HD   ARG  38           HD2      ARG  38  -0.215  49.094  96.626
  262   2HD   ARG  38           HD1      ARG  38   0.037  47.533  97.406
  263    HE   ARG  38           HE       ARG  38  -2.364  49.238  97.677
  264   1HH1  ARG  38          HH21      ARG  38  -0.484  47.001  99.411
  265   2HH1  ARG  38          HH22      ARG  38  -1.813  45.980  99.844
  266   1HH2  ARG  38          HH11      ARG  38  -4.113  47.709  97.904
  267   2HH2  ARG  38          HH12      ARG  38  -3.871  46.379  98.986
  268    H    CYS  39           HN       CYS  39   2.303  49.743 100.654
  269    HA   CYS  39           HA       CYS  39   4.932  50.935 101.433
  270   1HB   CYS  39           HB2      CYS  39   2.883  49.689 103.295
  271   2HB   CYS  39           HB1      CYS  39   4.276  50.652 103.759
  272    H    LYS  40           HN       LYS  40   6.631  49.400 101.722
  273    HA   LYS  40           HA       LYS  40   6.303  46.777 100.701
  274   1HB   LYS  40           HB2      LYS  40   8.535  47.438 100.808
  275   2HB   LYS  40           HB1      LYS  40   8.364  48.114 102.427
  276   1HG   LYS  40           HG2      LYS  40   8.325  45.923 103.426
  277   2HG   LYS  40           HG1      LYS  40   8.201  45.143 101.849
  278   1HD   LYS  40           HD2      LYS  40  10.496  46.854 101.827
  279   2HD   LYS  40           HD1      LYS  40  10.566  45.850 103.275
  280   1HE   LYS  40           HE2      LYS  40  11.643  44.761 101.304
  281   2HE   LYS  40           HE1      LYS  40  10.288  43.829 101.939
  282   1HZ   LYS  40           HZ3      LYS  40  10.038  45.753  99.696
  283   2HZ   LYS  40           HZ2      LYS  40  10.326  44.092  99.475
  284   3HZ   LYS  40           HZ1      LYS  40   8.890  44.616 100.215
  285    H    GLU  41           HN       GLU  41   6.146  44.728 101.784
  286    HA   GLU  41           HA       GLU  41   4.236  44.595 103.884
  287   1HB   GLU  41           HB2      GLU  41   5.827  42.728 102.327
  288   2HB   GLU  41           HB1      GLU  41   5.707  42.209 104.008
  289   1HG   GLU  41           HG2      GLU  41   3.474  41.799 103.855
  290   2HG   GLU  41           HG1      GLU  41   3.188  43.218 102.848
  291    H    GLY  42           HN       GLY  42   4.495  44.981 106.032
  292   1HA   GLY  42           HA2      GLY  42   5.845  44.273 108.065
  293   2HA   GLY  42           HA1      GLY  42   7.266  44.804 107.149
  294    H    PHE  43           HN       PHE  43   5.940  47.014 105.886
  295    HA   PHE  43           HA       PHE  43   5.391  48.757 108.233
  296   1HB   PHE  43           HB2      PHE  43   6.788  49.736 105.753
  297   2HB   PHE  43           HB1      PHE  43   6.594  50.544 107.310
  298    HD1  PHE  43           HD1      PHE  43   8.267  47.696 105.586
  299    HD2  PHE  43           HD2      PHE  43   8.112  50.147 109.111
  300    HE1  PHE  43           HE1      PHE  43  10.401  46.707 106.371
  301    HE2  PHE  43           HE2      PHE  43  10.245  49.158 109.895
  302    HZ   PHE  43           HZ       PHE  43  11.392  47.438 108.524
  303    H    PHE  44           HN       PHE  44   3.585  49.785 108.063
  304    HA   PHE  44           HA       PHE  44   2.266  50.091 105.397
  305   1HB   PHE  44           HB2      PHE  44   0.634  49.893 107.904
  306   2HB   PHE  44           HB1      PHE  44   0.211  49.429 106.257
  307    HD1  PHE  44           HD1      PHE  44   2.152  48.463 109.261
  308    HD2  PHE  44           HD2      PHE  44   0.750  47.248 105.388
  309    HE1  PHE  44           HE1      PHE  44   2.835  46.128 109.746
  310    HE2  PHE  44           HE2      PHE  44   1.431  44.913 105.872
  311    HZ   PHE  44           HZ       PHE  44   2.473  44.353 108.052
  312    H    GLY  45           HN       GLY  45   0.333  51.831 105.798
  313   1HA   GLY  45           HA2      GLY  45   0.092  53.868 107.462
  314   2HA   GLY  45           HA1      GLY  45   1.733  54.200 106.928
  315    H    ASN  46           HN       ASN  46   1.333  56.083 105.812
  316    HA   ASN  46           HA       ASN  46  -0.379  55.792 103.371
  317   1HB   ASN  46           HB2      ASN  46  -0.294  58.031 105.384
  318   2HB   ASN  46           HB1      ASN  46  -0.795  58.335 103.721
  319   1HD2  ASN  46          HD21      ASN  46  -2.978  57.965 103.283
  320   2HD2  ASN  46          HD22      ASN  46  -4.013  57.020 104.240
  321    HA   PRO  47           HA       PRO  47   3.678  57.123 101.888
  322   1HB   PRO  47           HB2      PRO  47   3.379  55.978  99.414
  323   2HB   PRO  47           HB1      PRO  47   3.927  55.085 100.842
  324   1HG   PRO  47           HG2      PRO  47   1.276  54.996  99.483
  325   2HG   PRO  47           HG1      PRO  47   2.079  53.756 100.461
  326   1HD   PRO  47           HD2      PRO  47  -0.008  55.468 101.326
  327   2HD   PRO  47           HD1      PRO  47   1.008  54.442 102.363
  328    H    LEU  48           HN       LEU  48   0.536  58.013 101.152
  329    HA   LEU  48           HA       LEU  48   1.411  59.877  98.985
  330   1HB   LEU  48           HB2      LEU  48  -1.024  58.335  99.459
  331   2HB   LEU  48           HB1      LEU  48  -1.364  60.043  99.179
  332    HG   LEU  48           HG       LEU  48   0.671  59.071  97.348
  333   1HD1  LEU  48          HD11      LEU  48  -2.005  57.648  97.410
  334   2HD1  LEU  48          HD13      LEU  48  -0.919  57.637  96.020
  335   3HD1  LEU  48          HD12      LEU  48  -0.409  56.913  97.545
  336   1HD2  LEU  48          HD23      LEU  48  -2.123  60.204  96.990
  337   2HD2  LEU  48          HD22      LEU  48  -0.625  61.133  97.036
  338   3HD2  LEU  48          HD21      LEU  48  -0.934  60.024  95.700
  339    H    ALA  49           HN       ALA  49   2.033  60.387 101.751
  340    HA   ALA  49           HA       ALA  49   0.184  62.657 102.352
  341   1HB   ALA  49           HB3      ALA  49   0.394  60.866 104.107
  342   2HB   ALA  49           HB2      ALA  49   2.107  61.267 104.240
  343   3HB   ALA  49           HB1      ALA  49   0.885  62.464 104.669
  344    HA   PRO  50           HA       PRO  50   3.554  65.393 101.623
  345   1HB   PRO  50           HB2      PRO  50   2.840  67.456 103.294
  346   2HB   PRO  50           HB1      PRO  50   2.031  67.126 101.751
  347   1HG   PRO  50           HG2      PRO  50   1.075  66.582 104.528
  348   2HG   PRO  50           HG1      PRO  50   0.135  66.901 103.061
  349   1HD   PRO  50           HD2      PRO  50   0.559  64.362 104.215
  350   2HD   PRO  50           HD1      PRO  50  -0.036  64.670 102.567
  351    H    ASN  51           HN       ASN  51   2.807  64.246 104.810
  352    HA   ASN  51           HA       ASN  51   5.415  65.193 105.876
  353   1HB   ASN  51           HB2      ASN  51   3.360  63.667 107.458
  354   2HB   ASN  51           HB1      ASN  51   4.543  64.846 108.029
  355   1HD2  ASN  51          HD22      ASN  51   2.487  67.653 107.320
  356   2HD2  ASN  51          HD21      ASN  51   4.041  67.128 107.755
  357    HA   PRO  52           HA       PRO  52   6.956  61.078 105.107
  358   1HB   PRO  52           HB2      PRO  52   9.396  61.454 106.317
  359   2HB   PRO  52           HB1      PRO  52   9.006  62.049 104.694
  360   1HG   PRO  52           HG2      PRO  52   9.224  63.576 107.252
  361   2HG   PRO  52           HG1      PRO  52   9.512  64.120 105.591
  362   1HD   PRO  52           HD2      PRO  52   7.194  64.653 107.099
  363   2HD   PRO  52           HD1      PRO  52   7.345  64.818 105.335
  364    H    ALA  53           HN       ALA  53   6.553  62.577 108.245
  365    HA   ALA  53           HA       ALA  53   7.390  60.278 109.813
  366   1HB   ALA  53           HB3      ALA  53   6.788  62.929 110.364
  367   2HB   ALA  53           HB2      ALA  53   5.430  62.055 111.073
  368   3HB   ALA  53           HB1      ALA  53   7.078  61.674 111.569
  369    H    ASP  54           HN       ASP  54   4.505  61.176 108.113
  370    HA   ASP  54           HA       ASP  54   2.974  59.040 109.527
  371   1HB   ASP  54           HB2      ASP  54   2.228  61.541 108.093
  372   2HB   ASP  54           HB1      ASP  54   1.127  60.173 107.924
  373    H    LYS  55           HN       LYS  55   5.065  59.017 107.167
  374    HA   LYS  55           HA       LYS  55   3.626  58.021 104.884
  375   1HB   LYS  55           HB2      LYS  55   6.078  58.887 105.092
  376   2HB   LYS  55           HB1      LYS  55   6.456  57.224 105.536
  377   1HG   LYS  55           HG2      LYS  55   6.641  56.958 103.270
  378   2HG   LYS  55           HG1      LYS  55   4.886  56.797 103.358
  379   1HD   LYS  55           HD2      LYS  55   4.578  58.719 102.223
  380   2HD   LYS  55           HD1      LYS  55   5.674  59.593 103.292
  381   1HE   LYS  55           HE2      LYS  55   6.810  59.749 101.266
  382   2HE   LYS  55           HE1      LYS  55   7.537  58.295 101.951
  383   1HZ   LYS  55           HZ3      LYS  55   5.181  57.588 100.600
  384   2HZ   LYS  55           HZ2      LYS  55   6.124  58.547  99.561
  385   3HZ   LYS  55           HZ1      LYS  55   6.778  57.135 100.246
  386    H    CYS  56           HN       CYS  56   5.582  55.543 104.872
  387    HA   CYS  56           HA       CYS  56   3.628  53.770 106.238
  388   1HB   CYS  56           HB2      CYS  56   5.861  53.007 104.336
  389   2HB   CYS  56           HB1      CYS  56   4.555  51.972 104.906
  390    H    LYS  57           HN       LYS  57   4.237  53.518 108.363
  391    HA   LYS  57           HA       LYS  57   7.112  52.854 108.881
  392   1HB   LYS  57           HB2      LYS  57   5.069  54.039 110.792
  393   2HB   LYS  57           HB1      LYS  57   6.761  53.706 111.161
  394   1HG   LYS  57           HG2      LYS  57   6.957  55.219 108.868
  395   2HG   LYS  57           HG1      LYS  57   5.579  55.955 109.684
  396   1HD   LYS  57           HD2      LYS  57   6.887  56.863 111.284
  397   2HD   LYS  57           HD1      LYS  57   7.751  55.347 111.537
  398   1HE   LYS  57           HE2      LYS  57   9.220  57.203 110.697
  399   2HE   LYS  57           HE1      LYS  57   9.203  55.788 109.646
  400   1HZ   LYS  57           HZ1      LYS  57   7.101  57.434 108.865
  401   2HZ   LYS  57           HZ3      LYS  57   8.461  58.431 109.039
  402   3HZ   LYS  57           HZ2      LYS  57   8.525  57.084 108.006
  403    H    ALA  58           HN       ALA  58   6.551  51.906 111.566
  404    HA   ALA  58           HA       ALA  58   5.910  49.169 110.967
  405   1HB   ALA  58           HB1      ALA  58   6.259  50.718 113.536
  406   2HB   ALA  58           HB3      ALA  58   5.780  49.019 113.547
  407   3HB   ALA  58           HB2      ALA  58   7.323  49.496 112.838
   
  No H/Q in entry =         407
  Start of MODEL    7
    1   1H    ARG   1           HT1      ARG   1  20.145  66.177  85.046
    2   2H    ARG   1           HT3      ARG   1  21.130  65.276  84.000
    3   3H    ARG   1           HT2      ARG   1  20.322  66.654  83.425
    4    HA   ARG   1           HA       ARG   1  18.618  65.410  82.814
    5   1HB   ARG   1           HB2      ARG   1  20.634  63.518  83.496
    6   2HB   ARG   1           HB1      ARG   1  19.098  62.888  84.096
    7   1HG   ARG   1           HG2      ARG   1  18.091  63.317  81.852
    8   2HG   ARG   1           HG1      ARG   1  19.679  63.815  81.267
    9   1HD   ARG   1           HD2      ARG   1  20.229  61.390  82.461
   10   2HD   ARG   1           HD1      ARG   1  18.631  61.113  81.768
   11    HE   ARG   1           HE       ARG   1  19.604  61.233  79.617
   12   1HH1  ARG   1          HH21      ARG   1  21.517  62.936  81.904
   13   2HH1  ARG   1          HH22      ARG   1  22.938  62.947  80.917
   14   1HH2  ARG   1          HH11      ARG   1  21.516  61.056  78.383
   15   2HH2  ARG   1          HH12      ARG   1  22.937  61.884  78.922
   16    HA   PRO   2           HA       PRO   2  16.563  65.911  86.852
   17   1HB   PRO   2           HB2      PRO   2  14.558  67.505  85.851
   18   2HB   PRO   2           HB1      PRO   2  16.124  68.130  86.399
   19   1HG   PRO   2           HG2      PRO   2  15.113  67.788  83.616
   20   2HG   PRO   2           HG1      PRO   2  16.330  68.916  84.237
   21   1HD   PRO   2           HD2      PRO   2  16.851  66.512  82.826
   22   2HD   PRO   2           HD1      PRO   2  18.043  67.487  83.714
   23    H    CYS   3           HN       CYS   3  15.647  63.851  87.088
   24    HA   CYS   3           HA       CYS   3  13.748  62.811  85.121
   25   1HB   CYS   3           HB2      CYS   3  15.373  61.428  86.555
   26   2HB   CYS   3           HB1      CYS   3  14.244  61.692  87.884
   27    H    GLN   4           HN       GLN   4  11.871  64.028  85.094
   28    HA   GLN   4           HA       GLN   4  10.607  65.270  87.291
   29   1HB   GLN   4           HB2      GLN   4  10.082  65.333  84.709
   30   2HB   GLN   4           HB1      GLN   4   8.964  64.028  85.107
   31   1HG   GLN   4           HG2      GLN   4   7.552  65.409  86.246
   32   2HG   GLN   4           HG1      GLN   4   8.874  66.356  86.930
   33   1HE2  GLN   4          HE22      GLN   4   8.059  67.334  83.029
   34   2HE2  GLN   4          HE21      GLN   4   8.307  65.710  83.455
   35    H    CYS   5           HN       CYS   5   9.961  64.271  89.135
   36    HA   CYS   5           HA       CYS   5   7.988  62.211  89.157
   37   1HB   CYS   5           HB2      CYS   5   9.943  60.847  88.370
   38   2HB   CYS   5           HB1      CYS   5  10.771  61.242  89.877
   39    H    ASN   6           HN       ASN   6   7.366  61.667  91.354
   40    HA   ASN   6           HA       ASN   6   8.852  63.045  93.519
   41   1HB   ASN   6           HB2      ASN   6   5.914  63.522  92.915
   42   2HB   ASN   6           HB1      ASN   6   6.763  64.111  94.344
   43   1HD2  ASN   6          HD22      ASN   6   7.093  66.157  90.883
   44   2HD2  ASN   6          HD21      ASN   6   6.042  64.834  91.051
   45    H    ASP   7           HN       ASP   7   6.652  62.636  95.412
   46    HA   ASP   7           HA       ASP   7   5.567  60.922  96.620
   47   1HB   ASP   7           HB2      ASP   7   6.661  58.874  94.696
   48   2HB   ASP   7           HB1      ASP   7   5.189  58.803  95.665
   49    H    ASN   8           HN       ASN   8   7.137  58.161  96.449
   50    HA   ASN   8           HA       ASN   8   9.023  58.928  98.587
   51   1HB   ASN   8           HB2      ASN   8   8.295  56.205  97.478
   52   2HB   ASN   8           HB1      ASN   8   9.263  56.502  98.918
   53   1HD2  ASN   8          HD22      ASN   8   5.211  57.152  99.069
   54   2HD2  ASN   8          HD21      ASN   8   5.985  57.061  97.561
   55    H    ILE   9           HN       ILE   9  10.342  60.105  96.894
   56    HA   ILE   9           HA       ILE   9  12.473  58.272  95.941
   57    HB   ILE   9           HB       ILE   9  12.559  59.706  93.804
   58   1HG1  ILE   9          HG12      ILE   9   9.779  60.235  93.660
   59   2HG1  ILE   9          HG11      ILE   9  10.330  60.901  95.197
   60   1HG2  ILE   9          HG23      ILE   9  10.997  57.415  94.525
   61   2HG2  ILE   9          HG22      ILE   9  10.066  58.375  93.376
   62   3HG2  ILE   9          HG21      ILE   9  11.682  57.813  92.949
   63   1HD1  ILE   9          HD12      ILE   9  12.012  61.400  92.778
   64   2HD1  ILE   9          HD11      ILE   9  10.509  62.308  92.940
   65   3HD1  ILE   9          HD13      ILE   9  11.749  62.423  94.191
   66    H    ASP  10           HN       ASP  10  14.545  59.331  95.911
   67    HA   ASP  10           HA       ASP  10  14.502  62.001  97.263
   68   1HB   ASP  10           HB2      ASP  10  16.221  59.584  97.588
   69   2HB   ASP  10           HB1      ASP  10  16.964  61.164  97.842
   70    HA   PRO  11           HA       PRO  11  16.794  63.649  93.878
   71   1HB   PRO  11           HB2      PRO  11  18.061  65.709  95.186
   72   2HB   PRO  11           HB1      PRO  11  16.341  65.739  94.757
   73   1HG   PRO  11           HG2      PRO  11  17.608  65.301  97.427
   74   2HG   PRO  11           HG1      PRO  11  16.024  65.990  97.038
   75   1HD   PRO  11           HD2      PRO  11  16.483  63.364  97.952
   76   2HD   PRO  11           HD1      PRO  11  14.989  63.954  97.188
   77    H    ASN  12           HN       ASN  12  18.359  62.537  96.778
   78    HA   ASN  12           HA       ASN  12  21.084  62.930  95.838
   79   1HB   ASN  12           HB2      ASN  12  19.915  61.308  98.104
   80   2HB   ASN  12           HB1      ASN  12  21.647  61.423  97.788
   81   1HD2  ASN  12          HD22      ASN  12  21.733  64.978  98.596
   82   2HD2  ASN  12          HD21      ASN  12  22.366  63.892  97.454
   83    H    ALA  13           HN       ALA  13  18.819  60.149  95.661
   84    HA   ALA  13           HA       ALA  13  20.687  58.135  95.050
   85   1HB   ALA  13           HB2      ALA  13  17.907  58.545  93.906
   86   2HB   ALA  13           HB1      ALA  13  18.832  57.048  93.795
   87   3HB   ALA  13           HB3      ALA  13  18.309  57.647  95.369
   88    H    VAL  14           HN       VAL  14  20.315  57.198  92.490
   89    HA   VAL  14           HA       VAL  14  21.645  59.351  90.905
   90    HB   VAL  14           HB       VAL  14  21.595  56.342  90.521
   91   1HG1  VAL  14          HG11      VAL  14  22.568  58.609  88.855
   92   2HG1  VAL  14          HG13      VAL  14  23.629  57.207  88.983
   93   3HG1  VAL  14          HG12      VAL  14  21.989  57.018  88.361
   94   1HG2  VAL  14          HG23      VAL  14  23.124  58.025  92.228
   95   2HG2  VAL  14          HG22      VAL  14  23.374  56.309  91.905
   96   3HG2  VAL  14          HG21      VAL  14  24.191  57.520  90.918
   97    H    GLY  15           HN       GLY  15  19.488  60.315  90.422
   98   1HA   GLY  15           HA2      GLY  15  18.020  60.743  88.588
   99   2HA   GLY  15           HA1      GLY  15  18.378  59.128  87.966
  100    H    ASN  16           HN       ASN  16  17.876  57.808  90.543
  101    HA   ASN  16           HA       ASN  16  16.095  56.851  91.708
  102   1HB   ASN  16           HB2      ASN  16  14.739  59.471  91.024
  103   2HB   ASN  16           HB1      ASN  16  14.134  58.287  92.180
  104   1HD2  ASN  16          HD22      ASN  16  17.438  60.526  93.154
  105   2HD2  ASN  16          HD21      ASN  16  16.986  60.368  91.526
  106    H    CYS  17           HN       CYS  17  16.058  57.324  88.428
  107    HA   CYS  17           HA       CYS  17  13.471  55.868  88.192
  108   1HB   CYS  17           HB2      CYS  17  14.630  57.587  86.003
  109   2HB   CYS  17           HB1      CYS  17  12.976  57.002  86.175
  110    H    ASN  18           HN       ASN  18  13.494  54.781  85.829
  111    HA   ASN  18           HA       ASN  18  15.939  53.092  85.817
  112   1HB   ASN  18           HB2      ASN  18  13.865  52.491  83.808
  113   2HB   ASN  18           HB1      ASN  18  14.677  51.408  84.910
  114   1HD2  ASN  18          HD22      ASN  18  11.755  51.136  86.827
  115   2HD2  ASN  18          HD21      ASN  18  13.123  50.387  86.164
  116    H    ARG  19           HN       ARG  19  17.504  53.332  84.219
  117    HA   ARG  19           HA       ARG  19  17.355  55.587  82.436
  118   1HB   ARG  19           HB2      ARG  19  19.370  53.925  83.378
  119   2HB   ARG  19           HB1      ARG  19  19.289  53.537  81.659
  120   1HG   ARG  19           HG2      ARG  19  20.058  55.585  81.030
  121   2HG   ARG  19           HG1      ARG  19  19.135  56.421  82.281
  122   1HD   ARG  19           HD2      ARG  19  20.792  56.145  83.885
  123   2HD   ARG  19           HD1      ARG  19  21.450  54.706  83.107
  124    HE   ARG  19           HE       ARG  19  21.873  56.873  81.336
  125   1HH1  ARG  19          HH11      ARG  19  22.328  57.193  84.600
  126   2HH1  ARG  19          HH12      ARG  19  24.049  57.374  84.545
  127   1HH2  ARG  19          HH21      ARG  19  24.298  56.504  81.196
  128   2HH2  ARG  19          HH22      ARG  19  25.166  56.985  82.616
  129    H    LEU  20           HN       LEU  20  16.450  52.221  82.086
  130    HA   LEU  20           HA       LEU  20  16.261  52.538  79.141
  131   1HB   LEU  20           HB2      LEU  20  15.521  50.069  79.319
  132   2HB   LEU  20           HB1      LEU  20  17.199  50.450  79.702
  133    HG   LEU  20           HG       LEU  20  15.286  50.612  81.966
  134   1HD1  LEU  20          HD12      LEU  20  15.154  48.374  80.293
  135   2HD1  LEU  20          HD11      LEU  20  16.225  47.879  81.605
  136   3HD1  LEU  20          HD13      LEU  20  14.599  48.463  81.965
  137   1HD2  LEU  20          HD21      LEU  20  18.114  50.300  81.460
  138   2HD2  LEU  20          HD23      LEU  20  17.299  50.666  82.980
  139   3HD2  LEU  20          HD22      LEU  20  17.543  48.989  82.492
  140    H    THR  21           HN       THR  21  14.113  52.056  81.949
  141    HA   THR  21           HA       THR  21  11.765  51.987  80.156
  142    HB   THR  21           HB       THR  21  10.985  52.217  82.885
  143    HG1  THR  21           HG1      THR  21  12.705  50.051  82.678
  144   1HG2  THR  21          HG21      THR  21  10.656  50.505  80.607
  145   2HG2  THR  21          HG23      THR  21  10.955  49.508  82.031
  146   3HG2  THR  21          HG22      THR  21   9.617  50.657  82.023
  147    H    GLY  22           HN       GLY  22  13.228  54.138  82.574
  148   1HA   GLY  22           HA2      GLY  22  13.036  56.511  82.650
  149   2HA   GLY  22           HA1      GLY  22  11.850  56.424  81.343
  150    H    GLU  23           HN       GLU  23  12.180  55.550  84.822
  151    HA   GLU  23           HA       GLU  23   9.719  56.881  85.508
  152   1HB   GLU  23           HB2      GLU  23   9.291  54.435  84.322
  153   2HB   GLU  23           HB1      GLU  23   9.339  54.008  86.033
  154   1HG   GLU  23           HG2      GLU  23   7.040  54.601  85.307
  155   2HG   GLU  23           HG1      GLU  23   7.646  55.722  86.527
  156    H    CYS  24           HN       CYS  24   9.285  56.690  87.822
  157    HA   CYS  24           HA       CYS  24  11.639  56.572  89.439
  158   1HB   CYS  24           HB2      CYS  24   8.748  56.963  89.851
  159   2HB   CYS  24           HB1      CYS  24   9.580  56.243  91.232
  160    H    LEU  25           HN       LEU  25  12.742  54.691  89.817
  161    HA   LEU  25           HA       LEU  25  11.103  52.361  90.665
  162   1HB   LEU  25           HB2      LEU  25  12.387  50.787  89.424
  163   2HB   LEU  25           HB1      LEU  25  11.910  52.062  88.322
  164    HG   LEU  25           HG       LEU  25  14.096  51.871  87.698
  165   1HD1  LEU  25          HD12      LEU  25  13.888  54.145  88.585
  166   2HD1  LEU  25          HD11      LEU  25  14.463  53.595  90.153
  167   3HD1  LEU  25          HD13      LEU  25  15.528  53.533  88.753
  168   1HD2  LEU  25          HD23      LEU  25  14.260  50.301  90.007
  169   2HD2  LEU  25          HD22      LEU  25  15.461  50.452  88.724
  170   3HD2  LEU  25          HD21      LEU  25  15.555  51.492  90.145
  171    H    LYS  26           HN       LYS  26  12.274  54.215  92.391
  172    HA   LYS  26           HA       LYS  26  14.037  52.393  93.923
  173   1HB   LYS  26           HB2      LYS  26  15.331  54.149  92.399
  174   2HB   LYS  26           HB1      LYS  26  14.923  55.240  93.726
  175   1HG   LYS  26           HG2      LYS  26  15.842  53.384  95.275
  176   2HG   LYS  26           HG1      LYS  26  16.581  52.723  93.815
  177   1HD   LYS  26           HD2      LYS  26  17.157  55.461  93.716
  178   2HD   LYS  26           HD1      LYS  26  17.398  55.018  95.406
  179   1HE   LYS  26           HE2      LYS  26  18.519  53.286  93.214
  180   2HE   LYS  26           HE1      LYS  26  19.387  54.730  93.736
  181   1HZ   LYS  26           HZ3      LYS  26  19.074  53.810  96.070
  182   2HZ   LYS  26           HZ2      LYS  26  18.676  52.338  95.320
  183   3HZ   LYS  26           HZ1      LYS  26  20.208  53.032  95.077
  184    H    CYS  27           HN       CYS  27  11.689  52.598  94.956
  185    HA   CYS  27           HA       CYS  27  10.776  54.951  96.198
  186   1HB   CYS  27           HB2      CYS  27  10.624  52.103  97.236
  187   2HB   CYS  27           HB1      CYS  27   9.630  53.446  97.797
  188    H    ILE  28           HN       ILE  28  11.159  55.889  98.243
  189    HA   ILE  28           HA       ILE  28  13.759  55.106  99.452
  190    HB   ILE  28           HB       ILE  28  13.084  57.482 100.644
  191   1HG1  ILE  28          HG12      ILE  28  12.436  57.840  97.722
  192   2HG1  ILE  28          HG11      ILE  28  11.170  57.573  98.919
  193   1HG2  ILE  28          HG22      ILE  28  14.977  56.456  98.737
  194   2HG2  ILE  28          HG21      ILE  28  14.523  58.097  98.281
  195   3HG2  ILE  28          HG23      ILE  28  15.180  57.778  99.885
  196   1HD1  ILE  28          HD12      ILE  28  13.245  59.772  99.066
  197   2HD1  ILE  28          HD11      ILE  28  11.583  59.990  98.517
  198   3HD1  ILE  28          HD13      ILE  28  11.907  59.525 100.187
  199    H    TYR  29           HN       TYR  29  10.716  56.463 100.681
  200    HA   TYR  29           HA       TYR  29  11.230  55.463 103.352
  201   1HB   TYR  29           HB2      TYR  29   8.649  56.562 102.220
  202   2HB   TYR  29           HB1      TYR  29   9.089  56.441 103.925
  203    HD1  TYR  29           HD1      TYR  29  11.560  57.488 104.414
  204    HD2  TYR  29           HD2      TYR  29   8.893  58.667 101.261
  205    HE1  TYR  29           HE1      TYR  29  12.693  59.687 104.279
  206    HE2  TYR  29           HE2      TYR  29  10.026  60.868 101.125
  207    HH   TYR  29           HH       TYR  29  12.899  61.576 103.087
  208    H    ASN  30           HN       ASN  30  11.402  53.116 102.262
  209    HA   ASN  30           HA       ASN  30  10.438  50.998 101.896
  210   1HB   ASN  30           HB2      ASN  30   9.121  52.030 104.419
  211   2HB   ASN  30           HB1      ASN  30   9.017  50.354 103.883
  212   1HD2  ASN  30          HD22      ASN  30  12.372  51.618 105.744
  213   2HD2  ASN  30          HD21      ASN  30  11.002  52.609 105.590
  214    H    THR  31           HN       THR  31   9.239  52.308 100.001
  215    HA   THR  31           HA       THR  31   6.323  51.753 100.408
  216    HB   THR  31           HB       THR  31   5.765  53.574  98.922
  217    HG1  THR  31           HG1      THR  31   7.544  53.380  97.531
  218   1HG2  THR  31          HG22      THR  31   6.756  53.919 101.418
  219   2HG2  THR  31          HG21      THR  31   7.857  54.951 100.506
  220   3HG2  THR  31          HG23      THR  31   6.118  55.240 100.441
  221    H    ALA  32           HN       ALA  32   5.257  50.723  98.645
  222    HA   ALA  32           HA       ALA  32   7.147  49.523  96.665
  223   1HB   ALA  32           HB2      ALA  32   5.137  48.375  98.391
  224   2HB   ALA  32           HB1      ALA  32   4.742  48.042  96.705
  225   3HB   ALA  32           HB3      ALA  32   6.307  47.555  97.357
  226    H    GLY  33           HN       GLY  33   5.302  48.502  94.880
  227   1HA   GLY  33           HA2      GLY  33   3.636  49.117  93.278
  228   2HA   GLY  33           HA1      GLY  33   3.569  50.727  93.991
  229    H    PHE  34           HN       PHE  34   3.960  49.895  91.157
  230    HA   PHE  34           HA       PHE  34   6.614  50.185  90.277
  231   1HB   PHE  34           HB2      PHE  34   4.553  49.682  88.858
  232   2HB   PHE  34           HB1      PHE  34   4.217  51.410  88.872
  233    HD1  PHE  34           HD1      PHE  34   7.721  50.936  89.024
  234    HD2  PHE  34           HD2      PHE  34   4.419  50.834  86.273
  235    HE1  PHE  34           HE1      PHE  34   9.287  51.245  87.134
  236    HE2  PHE  34           HE2      PHE  34   5.992  51.146  84.385
  237    HZ   PHE  34           HZ       PHE  34   8.424  51.350  84.813
  238    H    TYR  35           HN       TYR  35   4.379  52.664  91.461
  239    HA   TYR  35           HA       TYR  35   6.540  54.686  91.018
  240   1HB   TYR  35           HB2      TYR  35   3.534  55.096  91.107
  241   2HB   TYR  35           HB1      TYR  35   4.729  56.382  90.938
  242    HD1  TYR  35           HD2      TYR  35   3.319  53.351  89.317
  243    HD2  TYR  35           HD1      TYR  35   5.803  56.823  88.849
  244    HE1  TYR  35           HE2      TYR  35   3.387  52.972  86.868
  245    HE2  TYR  35           HE1      TYR  35   5.871  56.444  86.400
  246    HH   TYR  35           HH       TYR  35   4.791  55.326  84.686
  247    H    CYS  36           HN       CYS  36   6.346  52.962  93.330
  248    HA   CYS  36           HA       CYS  36   6.239  53.067  95.677
  249   1HB   CYS  36           HB2      CYS  36   6.742  56.013  95.175
  250   2HB   CYS  36           HB1      CYS  36   7.131  55.101  96.632
  251    H    ASP  37           HN       ASP  37   3.733  52.947  94.718
  252    HA   ASP  37           HA       ASP  37   2.226  55.210  95.944
  253   1HB   ASP  37           HB2      ASP  37   1.885  53.914  93.536
  254   2HB   ASP  37           HB1      ASP  37   0.678  53.135  94.560
  255    H    ARG  38           HN       ARG  38   3.375  52.251  96.916
  256    HA   ARG  38           HA       ARG  38   1.086  51.937  98.798
  257   1HB   ARG  38           HB2      ARG  38   2.498  49.868  97.127
  258   2HB   ARG  38           HB1      ARG  38   1.783  49.405  98.667
  259   1HG   ARG  38           HG2      ARG  38  -0.361  50.541  97.846
  260   2HG   ARG  38           HG1      ARG  38   0.394  50.571  96.252
  261   1HD   ARG  38           HD2      ARG  38  -0.001  48.373  95.927
  262   2HD   ARG  38           HD1      ARG  38   0.642  47.955  97.515
  263    HE   ARG  38           HE       ARG  38  -2.177  48.860  97.071
  264   1HH1  ARG  38          HH21      ARG  38  -1.336  48.952  99.890
  265   2HH1  ARG  38          HH22      ARG  38  -1.728  47.366 100.469
  266   1HH2  ARG  38          HH11      ARG  38  -1.998  45.986  97.299
  267   2HH2  ARG  38          HH12      ARG  38  -2.102  45.688  99.002
  268    H    CYS  39           HN       CYS  39   2.059  50.140 100.505
  269    HA   CYS  39           HA       CYS  39   4.628  51.320 101.466
  270   1HB   CYS  39           HB2      CYS  39   2.435  49.951 103.058
  271   2HB   CYS  39           HB1      CYS  39   3.875  50.693 103.739
  272    H    LYS  40           HN       LYS  40   6.359  49.895 101.467
  273    HA   LYS  40           HA       LYS  40   6.164  47.267 100.442
  274   1HB   LYS  40           HB2      LYS  40   8.314  48.274 100.426
  275   2HB   LYS  40           HB1      LYS  40   8.242  48.644 102.149
  276   1HG   LYS  40           HG2      LYS  40   8.305  46.225 102.667
  277   2HG   LYS  40           HG1      LYS  40   8.405  45.865 100.944
  278   1HD   LYS  40           HD2      LYS  40  10.396  47.819 101.920
  279   2HD   LYS  40           HD1      LYS  40  10.582  46.185 102.561
  280   1HE   LYS  40           HE2      LYS  40  10.088  45.669  99.918
  281   2HE   LYS  40           HE1      LYS  40  10.984  47.185  99.814
  282   1HZ   LYS  40           HZ1      LYS  40  12.291  45.672 101.704
  283   2HZ   LYS  40           HZ3      LYS  40  11.929  44.586 100.452
  284   3HZ   LYS  40           HZ2      LYS  40  12.812  45.998 100.120
  285    H    GLU  41           HN       GLU  41   6.265  45.205 101.500
  286    HA   GLU  41           HA       GLU  41   4.579  44.897 103.772
  287   1HB   GLU  41           HB2      GLU  41   6.540  43.094 102.368
  288   2HB   GLU  41           HB1      GLU  41   5.755  42.563 103.856
  289   1HG   GLU  41           HG2      GLU  41   4.290  41.794 102.186
  290   2HG   GLU  41           HG1      GLU  41   3.552  43.314 102.691
  291    H    GLY  42           HN       GLY  42   5.028  45.260 105.911
  292   1HA   GLY  42           HA2      GLY  42   6.669  44.648 107.761
  293   2HA   GLY  42           HA1      GLY  42   7.912  45.344 106.710
  294    H    PHE  43           HN       PHE  43   6.163  47.418 105.689
  295    HA   PHE  43           HA       PHE  43   5.721  49.025 108.144
  296   1HB   PHE  43           HB2      PHE  43   6.647  50.392 105.658
  297   2HB   PHE  43           HB1      PHE  43   6.800  50.871 107.350
  298    HD1  PHE  43           HD1      PHE  43   8.025  48.439 104.802
  299    HD2  PHE  43           HD2      PHE  43   8.745  50.294 108.610
  300    HE1  PHE  43           HE1      PHE  43  10.292  47.435 104.862
  301    HE2  PHE  43           HE2      PHE  43  11.012  49.288 108.670
  302    HZ   PHE  43           HZ       PHE  43  11.785  47.858 106.796
  303    H    PHE  44           HN       PHE  44   3.830  49.884 108.190
  304    HA   PHE  44           HA       PHE  44   2.173  50.020 105.704
  305   1HB   PHE  44           HB2      PHE  44   0.767  50.131 108.305
  306   2HB   PHE  44           HB1      PHE  44   0.359  49.228 106.848
  307    HD1  PHE  44           HD1      PHE  44   2.296  49.203 109.983
  308    HD2  PHE  44           HD2      PHE  44   1.245  46.988 106.457
  309    HE1  PHE  44           HE1      PHE  44   3.207  47.138 111.010
  310    HE2  PHE  44           HE2      PHE  44   2.155  44.921 107.483
  311    HZ   PHE  44           HZ       PHE  44   3.138  44.997 109.761
  312    H    GLY  45           HN       GLY  45   0.353  51.804 106.051
  313   1HA   GLY  45           HA2      GLY  45   0.100  53.953 107.497
  314   2HA   GLY  45           HA1      GLY  45   1.786  54.217 107.064
  315    H    ASN  46           HN       ASN  46   1.478  56.066 105.862
  316    HA   ASN  46           HA       ASN  46  -0.026  55.691 103.303
  317   1HB   ASN  46           HB2      ASN  46  -0.098  57.969 105.257
  318   2HB   ASN  46           HB1      ASN  46  -0.365  58.285 103.543
  319   1HD2  ASN  46          HD22      ASN  46  -3.724  57.577 104.859
  320   2HD2  ASN  46          HD21      ASN  46  -2.579  58.827 104.928
  321    HA   PRO  47           HA       PRO  47   4.129  56.809 102.009
  322   1HB   PRO  47           HB2      PRO  47   3.758  56.036  99.397
  323   2HB   PRO  47           HB1      PRO  47   4.164  54.913 100.706
  324   1HG   PRO  47           HG2      PRO  47   1.545  55.336  99.335
  325   2HG   PRO  47           HG1      PRO  47   2.177  53.881 100.124
  326   1HD   PRO  47           HD2      PRO  47   0.287  55.660 101.228
  327   2HD   PRO  47           HD1      PRO  47   1.203  54.430 102.127
  328    H    LEU  48           HN       LEU  48   1.151  58.192 101.303
  329    HA   LEU  48           HA       LEU  48   2.424  60.259  99.548
  330   1HB   LEU  48           HB2      LEU  48  -0.052  58.815  99.301
  331   2HB   LEU  48           HB1      LEU  48  -0.403  60.533  99.503
  332    HG   LEU  48           HG       LEU  48   1.585  59.413  97.505
  333   1HD1  LEU  48          HD11      LEU  48  -1.022  59.024  97.237
  334   2HD1  LEU  48          HD13      LEU  48  -1.004  60.719  96.750
  335   3HD1  LEU  48          HD12      LEU  48  -0.047  59.535  95.859
  336   1HD2  LEU  48          HD21      LEU  48   1.625  61.877  98.568
  337   2HD2  LEU  48          HD23      LEU  48   1.998  61.590  96.867
  338   3HD2  LEU  48          HD22      LEU  48   0.391  62.144  97.336
  339    H    ALA  49           HN       ALA  49   2.728  60.326 102.387
  340    HA   ALA  49           HA       ALA  49   0.820  62.455 103.230
  341   1HB   ALA  49           HB2      ALA  49   1.825  60.226 104.580
  342   2HB   ALA  49           HB1      ALA  49   2.741  61.581 105.242
  343   3HB   ALA  49           HB3      ALA  49   0.978  61.590 105.312
  344    HA   PRO  50           HA       PRO  50   3.997  65.466 102.835
  345   1HB   PRO  50           HB2      PRO  50   3.123  67.273 104.721
  346   2HB   PRO  50           HB1      PRO  50   2.363  67.077 103.132
  347   1HG   PRO  50           HG2      PRO  50   1.403  66.142 105.803
  348   2HG   PRO  50           HG1      PRO  50   0.466  66.582 104.364
  349   1HD   PRO  50           HD2      PRO  50   1.015  63.951 105.199
  350   2HD   PRO  50           HD1      PRO  50   0.459  64.429 103.580
  351    H    ASN  51           HN       ASN  51   3.201  64.094 105.959
  352    HA   ASN  51           HA       ASN  51   5.855  64.905 107.037
  353   1HB   ASN  51           HB2      ASN  51   3.245  64.509 108.199
  354   2HB   ASN  51           HB1      ASN  51   4.407  63.432 108.974
  355   1HD2  ASN  51          HD22      ASN  51   5.211  67.473 109.149
  356   2HD2  ASN  51          HD21      ASN  51   4.470  66.841 107.758
  357    HA   PRO  52           HA       PRO  52   7.259  60.783 106.196
  358   1HB   PRO  52           HB2      PRO  52   9.580  60.921 107.668
  359   2HB   PRO  52           HB1      PRO  52   9.387  61.653 106.066
  360   1HG   PRO  52           HG2      PRO  52   9.428  62.972 108.743
  361   2HG   PRO  52           HG1      PRO  52   9.901  63.619 107.163
  362   1HD   PRO  52           HD2      PRO  52   7.477  64.171 108.489
  363   2HD   PRO  52           HD1      PRO  52   7.808  64.461 106.766
  364    H    ALA  53           HN       ALA  53   6.559  62.045 109.373
  365    HA   ALA  53           HA       ALA  53   7.121  59.586 110.823
  366   1HB   ALA  53           HB2      ALA  53   5.372  61.957 111.559
  367   2HB   ALA  53           HB1      ALA  53   5.865  60.673 112.662
  368   3HB   ALA  53           HB3      ALA  53   7.074  61.760 111.981
  369    H    ASP  54           HN       ASP  54   4.458  60.832 108.955
  370    HA   ASP  54           HA       ASP  54   2.751  58.564 109.888
  371   1HB   ASP  54           HB2      ASP  54   2.174  61.299 108.837
  372   2HB   ASP  54           HB1      ASP  54   1.037  60.015 108.427
  373    H    LYS  55           HN       LYS  55   5.010  58.470 107.921
  374    HA   LYS  55           HA       LYS  55   3.716  58.087 105.322
  375   1HB   LYS  55           HB2      LYS  55   6.195  58.837 105.930
  376   2HB   LYS  55           HB1      LYS  55   6.484  57.099 105.900
  377   1HG   LYS  55           HG2      LYS  55   6.117  56.945 103.634
  378   2HG   LYS  55           HG1      LYS  55   4.905  58.227 103.642
  379   1HD   LYS  55           HD2      LYS  55   7.280  59.500 104.402
  380   2HD   LYS  55           HD1      LYS  55   7.757  58.404 103.104
  381   1HE   LYS  55           HE2      LYS  55   6.330  59.414 101.549
  382   2HE   LYS  55           HE1      LYS  55   5.297  60.105 102.802
  383   1HZ   LYS  55           HZ3      LYS  55   7.824  61.127 103.235
  384   2HZ   LYS  55           HZ2      LYS  55   7.580  61.225 101.556
  385   3HZ   LYS  55           HZ1      LYS  55   6.477  61.954 102.624
  386    H    CYS  56           HN       CYS  56   5.554  55.669 104.849
  387    HA   CYS  56           HA       CYS  56   3.620  53.654 105.831
  388   1HB   CYS  56           HB2      CYS  56   5.965  53.442 103.909
  389   2HB   CYS  56           HB1      CYS  56   4.898  52.107 104.330
  390    H    LYS  57           HN       LYS  57   4.339  53.793 108.097
  391    HA   LYS  57           HA       LYS  57   7.039  52.582 108.537
  392   1HB   LYS  57           HB2      LYS  57   5.446  54.190 110.544
  393   2HB   LYS  57           HB1      LYS  57   7.147  53.733 110.635
  394   1HG   LYS  57           HG2      LYS  57   7.708  55.171 108.781
  395   2HG   LYS  57           HG1      LYS  57   6.005  55.495 108.453
  396   1HD   LYS  57           HD2      LYS  57   6.502  57.378 109.692
  397   2HD   LYS  57           HD1      LYS  57   6.053  56.287 111.003
  398   1HE   LYS  57           HE2      LYS  57   8.580  55.610 110.965
  399   2HE   LYS  57           HE1      LYS  57   8.798  57.143 110.119
  400   1HZ   LYS  57           HZ1      LYS  57   7.095  57.428 112.382
  401   2HZ   LYS  57           HZ3      LYS  57   8.598  56.784 112.831
  402   3HZ   LYS  57           HZ2      LYS  57   8.524  58.262 111.997
  403    H    ALA  58           HN       ALA  58   7.108  51.310 110.679
  404    HA   ALA  58           HA       ALA  58   5.307  49.120 110.538
  405   1HB   ALA  58           HB1      ALA  58   7.643  49.381 111.728
  406   2HB   ALA  58           HB3      ALA  58   6.663  49.841 113.119
  407   3HB   ALA  58           HB2      ALA  58   6.451  48.254 112.378
   
  No H/Q in entry =         407
  Start of MODEL    8
    1   1H    ARG   1           HT2      ARG   1   9.306  67.000  81.241
    2   2H    ARG   1           HT1      ARG   1   8.659  68.469  81.799
    3   3H    ARG   1           HT3      ARG   1  10.036  68.472  80.809
    4    HA   ARG   1           HA       ARG   1  11.142  68.674  82.736
    5   1HB   ARG   1           HB2      ARG   1  10.088  67.665  84.886
    6   2HB   ARG   1           HB1      ARG   1   9.322  69.089  84.182
    7   1HG   ARG   1           HG2      ARG   1   7.405  67.939  83.949
    8   2HG   ARG   1           HG1      ARG   1   8.228  66.790  82.893
    9   1HD   ARG   1           HD2      ARG   1   8.058  65.218  84.493
   10   2HD   ARG   1           HD1      ARG   1   9.040  66.218  85.562
   11    HE   ARG   1           HE       ARG   1   6.958  67.196  86.440
   12   1HH1  ARG   1          HH11      ARG   1   6.966  63.982  85.630
   13   2HH1  ARG   1          HH12      ARG   1   5.245  63.795  85.553
   14   1HH2  ARG   1          HH21      ARG   1   4.602  67.198  85.763
   15   2HH2  ARG   1          HH22      ARG   1   3.905  65.618  85.626
   16    HA   PRO   2           HA       PRO   2  13.159  64.776  82.776
   17   1HB   PRO   2           HB2      PRO   2  14.574  64.959  85.128
   18   2HB   PRO   2           HB1      PRO   2  15.006  65.844  83.655
   19   1HG   PRO   2           HG2      PRO   2  13.705  66.859  86.145
   20   2HG   PRO   2           HG1      PRO   2  14.730  67.718  84.983
   21   1HD   PRO   2           HD2      PRO   2  11.922  67.893  85.121
   22   2HD   PRO   2           HD1      PRO   2  12.926  68.409  83.749
   23    H    CYS   3           HN       CYS   3  13.569  62.813  84.339
   24    HA   CYS   3           HA       CYS   3  11.040  61.877  85.294
   25   1HB   CYS   3           HB2      CYS   3  12.982  60.443  84.543
   26   2HB   CYS   3           HB1      CYS   3  13.764  60.816  86.080
   27    H    GLN   4           HN       GLN   4  10.237  63.370  86.844
   28    HA   GLN   4           HA       GLN   4  11.689  63.304  89.461
   29   1HB   GLN   4           HB2      GLN   4  10.876  65.590  87.857
   30   2HB   GLN   4           HB1      GLN   4  10.121  65.631  89.451
   31   1HG   GLN   4           HG2      GLN   4  12.648  64.904  90.136
   32   2HG   GLN   4           HG1      GLN   4  12.977  65.889  88.709
   33   1HE2  GLN   4          HE22      GLN   4  12.320  68.917  90.374
   34   2HE2  GLN   4          HE21      GLN   4  12.936  68.136  88.998
   35    H    CYS   5           HN       CYS   5  10.356  61.632  90.307
   36    HA   CYS   5           HA       CYS   5   7.444  62.303  90.488
   37   1HB   CYS   5           HB2      CYS   5   7.913  59.605  91.306
   38   2HB   CYS   5           HB1      CYS   5   7.009  60.172  89.907
   39    H    ASN   6           HN       ASN   6   7.800  63.659  92.366
   40    HA   ASN   6           HA       ASN   6   9.192  63.282  94.676
   41   1HB   ASN   6           HB2      ASN   6   6.285  64.072  94.407
   42   2HB   ASN   6           HB1      ASN   6   7.171  64.187  95.928
   43   1HD2  ASN   6          HD22      ASN   6   7.644  67.068  93.167
   44   2HD2  ASN   6          HD21      ASN   6   6.450  65.868  93.049
   45    H    ASP   7           HN       ASP   7   5.902  62.422  95.454
   46    HA   ASP   7           HA       ASP   7   5.167  60.655  96.828
   47   1HB   ASP   7           HB2      ASP   7   6.433  59.450  94.393
   48   2HB   ASP   7           HB1      ASP   7   5.861  58.381  95.674
   49    H    ASN   8           HN       ASN   8   7.886  58.682  95.858
   50    HA   ASN   8           HA       ASN   8   9.278  59.211  98.436
   51   1HB   ASN   8           HB2      ASN   8   8.689  56.374  97.625
   52   2HB   ASN   8           HB1      ASN   8   9.122  57.005  99.212
   53   1HD2  ASN   8          HD22      ASN   8   5.774  58.276  99.836
   54   2HD2  ASN   8          HD21      ASN   8   7.399  58.711 100.064
   55    H    ILE   9           HN       ILE   9  10.621  60.136  96.527
   56    HA   ILE   9           HA       ILE   9  12.649  58.073  95.874
   57    HB   ILE   9           HB       ILE   9  12.845  58.853  93.557
   58   1HG1  ILE   9          HG12      ILE   9  10.688  60.242  92.846
   59   2HG1  ILE   9          HG11      ILE   9  10.794  60.798  94.518
   60   1HG2  ILE   9          HG22      ILE   9  10.746  57.310  94.619
   61   2HG2  ILE   9          HG21      ILE   9   9.990  58.371  93.432
   62   3HG2  ILE   9          HG23      ILE   9  11.316  57.315  92.951
   63   1HD1  ILE   9          HD12      ILE   9  13.177  60.813  92.655
   64   2HD1  ILE   9          HD11      ILE   9  12.071  62.182  92.774
   65   3HD1  ILE   9          HD13      ILE   9  12.992  61.667  94.187
   66    H    ASP  10           HN       ASP  10  14.705  59.155  95.203
   67    HA   ASP  10           HA       ASP  10  14.981  61.756  96.639
   68   1HB   ASP  10           HB2      ASP  10  16.930  59.537  96.007
   69   2HB   ASP  10           HB1      ASP  10  17.477  61.131  96.528
   70    HA   PRO  11           HA       PRO  11  15.443  63.268  92.414
   71   1HB   PRO  11           HB2      PRO  11  15.071  65.896  93.109
   72   2HB   PRO  11           HB1      PRO  11  13.745  64.753  92.838
   73   1HG   PRO  11           HG2      PRO  11  14.790  65.845  95.408
   74   2HG   PRO  11           HG1      PRO  11  13.168  65.251  95.019
   75   1HD   PRO  11           HD2      PRO  11  15.148  63.832  96.450
   76   2HD   PRO  11           HD1      PRO  11  13.665  63.140  95.758
   77    H    ASN  12           HN       ASN  12  17.394  63.668  95.135
   78    HA   ASN  12           HA       ASN  12  19.202  65.680  94.036
   79   1HB   ASN  12           HB2      ASN  12  19.742  63.691  96.263
   80   2HB   ASN  12           HB1      ASN  12  20.605  65.198  95.955
   81   1HD2  ASN  12          HD22      ASN  12  17.467  67.064  96.866
   82   2HD2  ASN  12          HD21      ASN  12  18.368  66.914  95.435
   83    H    ALA  13           HN       ALA  13  19.937  62.293  94.956
   84    HA   ALA  13           HA       ALA  13  22.165  62.102  93.173
   85   1HB   ALA  13           HB3      ALA  13  21.588  60.589  95.171
   86   2HB   ALA  13           HB2      ALA  13  20.486  59.755  94.075
   87   3HB   ALA  13           HB1      ALA  13  22.215  59.788  93.730
   88    H    VAL  14           HN       VAL  14  22.262  60.713  91.200
   89    HA   VAL  14           HA       VAL  14  19.743  60.995  89.626
   90    HB   VAL  14           HB       VAL  14  22.626  60.658  88.742
   91   1HG1  VAL  14          HG11      VAL  14  20.982  59.533  87.232
   92   2HG1  VAL  14          HG13      VAL  14  20.132  61.069  87.065
   93   3HG1  VAL  14          HG12      VAL  14  21.783  60.906  86.466
   94   1HG2  VAL  14          HG22      VAL  14  21.802  62.900  89.684
   95   2HG2  VAL  14          HG21      VAL  14  22.497  62.943  88.064
   96   3HG2  VAL  14          HG23      VAL  14  20.746  62.982  88.274
   97    H    GLY  15           HN       GLY  15  19.020  59.185  88.341
   98   1HA   GLY  15           HA2      GLY  15  19.348  56.832  87.600
   99   2HA   GLY  15           HA1      GLY  15  20.263  56.574  89.091
  100    H    ASN  16           HN       ASN  16  17.784  58.512  90.082
  101    HA   ASN  16           HA       ASN  16  16.476  56.462  91.534
  102   1HB   ASN  16           HB2      ASN  16  15.667  59.277  90.814
  103   2HB   ASN  16           HB1      ASN  16  14.657  58.244  91.824
  104   1HD2  ASN  16          HD22      ASN  16  18.235  59.614  93.311
  105   2HD2  ASN  16          HD21      ASN  16  17.961  59.644  91.636
  106    H    CYS  17           HN       CYS  17  16.233  57.023  88.210
  107    HA   CYS  17           HA       CYS  17  13.548  55.711  88.165
  108   1HB   CYS  17           HB2      CYS  17  14.752  57.610  86.126
  109   2HB   CYS  17           HB1      CYS  17  13.182  56.818  85.984
  110    H    ASN  18           HN       ASN  18  13.316  54.603  85.844
  111    HA   ASN  18           HA       ASN  18  15.670  52.808  85.648
  112   1HB   ASN  18           HB2      ASN  18  13.385  52.249  83.879
  113   2HB   ASN  18           HB1      ASN  18  14.216  51.174  84.980
  114   1HD2  ASN  18          HD22      ASN  18  10.741  51.649  86.246
  115   2HD2  ASN  18          HD21      ASN  18  11.429  51.033  84.822
  116    H    ARG  19           HN       ARG  19  17.057  52.882  83.883
  117    HA   ARG  19           HA       ARG  19  16.910  55.145  82.117
  118   1HB   ARG  19           HB2      ARG  19  18.938  54.299  81.141
  119   2HB   ARG  19           HB1      ARG  19  19.019  54.004  82.878
  120   1HG   ARG  19           HG2      ARG  19  17.750  51.813  81.380
  121   2HG   ARG  19           HG1      ARG  19  19.433  52.093  80.933
  122   1HD   ARG  19           HD2      ARG  19  19.380  52.295  83.732
  123   2HD   ARG  19           HD1      ARG  19  18.361  50.908  83.351
  124    HE   ARG  19           HE       ARG  19  20.511  50.369  81.807
  125   1HH1  ARG  19          HH21      ARG  19  19.856  50.437  85.104
  126   2HH1  ARG  19          HH22      ARG  19  21.495  50.206  85.612
  127   1HH2  ARG  19          HH11      ARG  19  22.810  50.540  82.421
  128   2HH2  ARG  19          HH12      ARG  19  23.168  50.262  84.092
  129    H    LEU  20           HN       LEU  20  15.361  52.099  81.897
  130    HA   LEU  20           HA       LEU  20  15.258  52.324  78.930
  131   1HB   LEU  20           HB2      LEU  20  14.258  50.040  78.989
  132   2HB   LEU  20           HB1      LEU  20  15.863  50.114  79.711
  133    HG   LEU  20           HG       LEU  20  14.249  50.640  81.876
  134   1HD1  LEU  20          HD13      LEU  20  12.820  48.830  79.938
  135   2HD1  LEU  20          HD12      LEU  20  12.606  48.629  81.678
  136   3HD1  LEU  20          HD11      LEU  20  12.160  50.151  80.904
  137   1HD2  LEU  20          HD21      LEU  20  16.201  48.946  81.370
  138   2HD2  LEU  20          HD23      LEU  20  15.071  48.609  82.680
  139   3HD2  LEU  20          HD22      LEU  20  14.881  47.804  81.123
  140    H    THR  21           HN       THR  21  12.990  51.950  81.700
  141    HA   THR  21           HA       THR  21  10.751  52.644  79.891
  142    HB   THR  21           HB       THR  21   9.843  52.539  82.564
  143    HG1  THR  21           HG1      THR  21  11.830  51.603  83.108
  144   1HG2  THR  21          HG23      THR  21   8.687  51.702  80.546
  145   2HG2  THR  21          HG22      THR  21   9.873  50.403  80.411
  146   3HG2  THR  21          HG21      THR  21   8.779  50.458  81.793
  147    H    GLY  22           HN       GLY  22  12.811  54.154  82.280
  148   1HA   GLY  22           HA2      GLY  22  12.970  56.435  82.860
  149   2HA   GLY  22           HA1      GLY  22  11.763  56.775  81.620
  150    H    GLU  23           HN       GLU  23  11.850  55.062  84.795
  151    HA   GLU  23           HA       GLU  23   9.579  56.740  85.681
  152   1HB   GLU  23           HB2      GLU  23   9.234  54.091  84.704
  153   2HB   GLU  23           HB1      GLU  23   9.042  54.021  86.456
  154   1HG   GLU  23           HG2      GLU  23   6.876  54.553  85.717
  155   2HG   GLU  23           HG1      GLU  23   7.542  56.132  86.137
  156    H    CYS  24           HN       CYS  24   9.306  56.635  88.040
  157    HA   CYS  24           HA       CYS  24  11.789  56.477  89.464
  158   1HB   CYS  24           HB2      CYS  24   8.911  56.829  90.206
  159   2HB   CYS  24           HB1      CYS  24  10.051  56.411  91.484
  160    H    LEU  25           HN       LEU  25  12.835  54.560  89.841
  161    HA   LEU  25           HA       LEU  25  11.144  52.312  90.821
  162   1HB   LEU  25           HB2      LEU  25  12.329  50.662  89.566
  163   2HB   LEU  25           HB1      LEU  25  11.830  51.918  88.451
  164    HG   LEU  25           HG       LEU  25  13.980  51.657  87.727
  165   1HD1  LEU  25          HD12      LEU  25  14.484  53.434  90.122
  166   2HD1  LEU  25          HD11      LEU  25  15.529  53.281  88.716
  167   3HD1  LEU  25          HD13      LEU  25  13.915  53.956  88.541
  168   1HD2  LEU  25          HD22      LEU  25  14.201  50.032  89.912
  169   2HD2  LEU  25          HD21      LEU  25  15.471  50.332  88.725
  170   3HD2  LEU  25          HD23      LEU  25  15.430  51.259  90.225
  171    H    LYS  26           HN       LYS  26  12.394  54.117  92.483
  172    HA   LYS  26           HA       LYS  26  14.164  52.308  94.004
  173   1HB   LYS  26           HB2      LYS  26  15.479  53.915  92.351
  174   2HB   LYS  26           HB1      LYS  26  15.158  55.101  93.616
  175   1HG   LYS  26           HG2      LYS  26  15.995  52.858  95.024
  176   2HG   LYS  26           HG1      LYS  26  17.044  52.872  93.608
  177   1HD   LYS  26           HD2      LYS  26  16.643  55.530  94.793
  178   2HD   LYS  26           HD1      LYS  26  17.436  54.388  95.880
  179   1HE   LYS  26           HE2      LYS  26  18.304  55.006  93.039
  180   2HE   LYS  26           HE1      LYS  26  19.094  55.592  94.503
  181   1HZ   LYS  26           HZ2      LYS  26  18.733  52.779  94.599
  182   2HZ   LYS  26           HZ1      LYS  26  19.582  53.220  93.196
  183   3HZ   LYS  26           HZ3      LYS  26  20.168  53.682  94.719
  184    H    CYS  27           HN       CYS  27  11.879  52.668  95.125
  185    HA   CYS  27           HA       CYS  27  11.109  55.121  96.244
  186   1HB   CYS  27           HB2      CYS  27  10.857  52.332  97.414
  187   2HB   CYS  27           HB1      CYS  27   9.974  53.739  98.001
  188    H    ILE  28           HN       ILE  28  11.502  56.083  98.307
  189    HA   ILE  28           HA       ILE  28  14.163  55.408  99.436
  190    HB   ILE  28           HB       ILE  28  13.468  57.823 100.549
  191   1HG1  ILE  28          HG12      ILE  28  12.810  58.149  97.647
  192   2HG1  ILE  28          HG11      ILE  28  11.529  57.740  98.781
  193   1HG2  ILE  28          HG22      ILE  28  15.470  56.780  98.969
  194   2HG2  ILE  28          HG21      ILE  28  14.806  58.051  97.943
  195   3HG2  ILE  28          HG23      ILE  28  15.411  58.444  99.552
  196   1HD1  ILE  28          HD11      ILE  28  12.525  59.703 100.199
  197   2HD1  ILE  28          HD13      ILE  28  13.225  60.208  98.660
  198   3HD1  ILE  28          HD12      ILE  28  11.475  60.071  98.830
  199    H    TYR  29           HN       TYR  29  11.087  56.696 100.639
  200    HA   TYR  29           HA       TYR  29  11.670  55.867 103.364
  201   1HB   TYR  29           HB2      TYR  29   9.029  56.770 102.185
  202   2HB   TYR  29           HB1      TYR  29   9.453  56.724 103.895
  203    HD1  TYR  29           HD2      TYR  29  11.748  58.004 104.472
  204    HD2  TYR  29           HD1      TYR  29   9.238  58.803 101.080
  205    HE1  TYR  29           HE2      TYR  29  12.708  60.284 104.297
  206    HE2  TYR  29           HE1      TYR  29  10.196  61.083 100.906
  207    HH   TYR  29           HH       TYR  29  11.568  62.573 101.809
  208    H    ASN  30           HN       ASN  30  11.810  53.511 101.845
  209    HA   ASN  30           HA       ASN  30  10.930  51.347 101.671
  210   1HB   ASN  30           HB2      ASN  30   9.968  52.348 104.345
  211   2HB   ASN  30           HB1      ASN  30   9.563  50.725 103.786
  212   1HD2  ASN  30          HD22      ASN  30  12.654  49.657 105.144
  213   2HD2  ASN  30          HD21      ASN  30  10.962  49.498 105.162
  214    H    THR  31           HN       THR  31   9.550  52.558  99.883
  215    HA   THR  31           HA       THR  31   6.675  52.012 100.532
  216    HB   THR  31           HB       THR  31   5.991  53.926  99.458
  217    HG1  THR  31           HG1      THR  31   6.607  54.002  97.477
  218   1HG2  THR  31          HG22      THR  31   8.110  54.340 101.127
  219   2HG2  THR  31          HG21      THR  31   8.680  55.132  99.659
  220   3HG2  THR  31          HG23      THR  31   7.160  55.636 100.400
  221    H    ALA  32           HN       ALA  32   5.431  51.202  98.653
  222    HA   ALA  32           HA       ALA  32   7.213  49.775  96.715
  223   1HB   ALA  32           HB1      ALA  32   5.395  48.695  98.534
  224   2HB   ALA  32           HB3      ALA  32   4.533  48.656  96.996
  225   3HB   ALA  32           HB2      ALA  32   6.099  47.860  97.150
  226    H    GLY  33           HN       GLY  33   5.208  48.894  94.966
  227   1HA   GLY  33           HA2      GLY  33   3.618  49.660  93.359
  228   2HA   GLY  33           HA1      GLY  33   3.678  51.261  94.091
  229    H    PHE  34           HN       PHE  34   3.966  50.432  91.246
  230    HA   PHE  34           HA       PHE  34   6.622  50.549  90.332
  231   1HB   PHE  34           HB2      PHE  34   4.450  50.196  88.975
  232   2HB   PHE  34           HB1      PHE  34   4.341  51.952  88.907
  233    HD1  PHE  34           HD1      PHE  34   7.482  49.943  88.845
  234    HD2  PHE  34           HD2      PHE  34   4.720  52.317  86.561
  235    HE1  PHE  34           HE1      PHE  34   9.071  49.969  86.951
  236    HE2  PHE  34           HE2      PHE  34   6.316  52.341  84.670
  237    HZ   PHE  34           HZ       PHE  34   8.490  51.168  84.861
  238    H    TYR  35           HN       TYR  35   4.549  53.194  91.485
  239    HA   TYR  35           HA       TYR  35   6.880  55.026  91.064
  240   1HB   TYR  35           HB2      TYR  35   4.184  56.210  91.465
  241   2HB   TYR  35           HB1      TYR  35   5.496  56.732  90.411
  242    HD1  TYR  35           HD1      TYR  35   5.927  55.479  88.258
  243    HD2  TYR  35           HD2      TYR  35   2.427  54.823  90.658
  244    HE1  TYR  35           HE1      TYR  35   4.801  54.410  86.324
  245    HE2  TYR  35           HE2      TYR  35   1.301  53.754  88.725
  246    HH   TYR  35           HH       TYR  35   1.724  54.049  85.964
  247    H    CYS  36           HN       CYS  36   6.553  53.335  93.360
  248    HA   CYS  36           HA       CYS  36   6.501  53.451  95.701
  249   1HB   CYS  36           HB2      CYS  36   7.086  56.373  95.144
  250   2HB   CYS  36           HB1      CYS  36   7.352  55.535  96.672
  251    H    ASP  37           HN       ASP  37   3.991  53.343  94.775
  252    HA   ASP  37           HA       ASP  37   2.508  55.571  96.106
  253   1HB   ASP  37           HB2      ASP  37   1.877  53.712  93.843
  254   2HB   ASP  37           HB1      ASP  37   0.546  54.313  94.833
  255    H    ARG  38           HN       ARG  38   3.720  52.701  96.960
  256    HA   ARG  38           HA       ARG  38   1.380  52.076  98.691
  257   1HB   ARG  38           HB2      ARG  38   2.119  50.453  96.657
  258   2HB   ARG  38           HB1      ARG  38   3.186  49.846  97.924
  259   1HG   ARG  38           HG2      ARG  38   0.774  50.136  99.246
  260   2HG   ARG  38           HG1      ARG  38   0.278  49.578  97.649
  261   1HD   ARG  38           HD2      ARG  38   1.548  47.594  97.815
  262   2HD   ARG  38           HD1      ARG  38   2.531  48.232  99.132
  263    HE   ARG  38           HE       ARG  38   0.310  46.686  99.614
  264   1HH1  ARG  38          HH11      ARG  38  -1.688  48.557  99.878
  265   2HH1  ARG  38          HH12      ARG  38  -1.442  49.352 101.397
  266   1HH2  ARG  38          HH21      ARG  38   1.859  48.334 101.694
  267   2HH2  ARG  38          HH22      ARG  38   0.566  49.226 102.424
  268    H    CYS  39           HN       CYS  39   2.529  50.150 100.228
  269    HA   CYS  39           HA       CYS  39   4.877  51.524 101.483
  270   1HB   CYS  39           HB2      CYS  39   2.316  50.469 102.589
  271   2HB   CYS  39           HB1      CYS  39   3.741  50.245 103.592
  272    H    LYS  40           HN       LYS  40   6.671  50.154 101.901
  273    HA   LYS  40           HA       LYS  40   6.839  47.636 100.625
  274   1HB   LYS  40           HB2      LYS  40   8.864  48.765 101.258
  275   2HB   LYS  40           HB1      LYS  40   8.392  48.782 102.958
  276   1HG   LYS  40           HG2      LYS  40   8.649  46.413 103.154
  277   2HG   LYS  40           HG1      LYS  40   8.781  46.215 101.406
  278   1HD   LYS  40           HD2      LYS  40  10.791  48.044 102.010
  279   2HD   LYS  40           HD1      LYS  40  10.851  46.900 103.352
  280   1HE   LYS  40           HE2      LYS  40  11.112  46.315 100.396
  281   2HE   LYS  40           HE1      LYS  40  12.282  45.990 101.674
  282   1HZ   LYS  40           HZ1      LYS  40  10.278  44.600 102.614
  283   2HZ   LYS  40           HZ3      LYS  40   9.836  44.545 100.977
  284   3HZ   LYS  40           HZ2      LYS  40  11.348  43.944 101.468
  285    H    GLU  41           HN       GLU  41   6.601  45.505 101.366
  286    HA   GLU  41           HA       GLU  41   4.533  44.973 103.240
  287   1HB   GLU  41           HB2      GLU  41   6.541  43.376 101.749
  288   2HB   GLU  41           HB1      GLU  41   5.880  42.617 103.198
  289   1HG   GLU  41           HG2      GLU  41   4.209  41.980 101.778
  290   2HG   GLU  41           HG1      GLU  41   3.603  43.605 102.098
  291    H    GLY  42           HN       GLY  42   4.589  45.032 105.454
  292   1HA   GLY  42           HA2      GLY  42   5.827  44.066 107.458
  293   2HA   GLY  42           HA1      GLY  42   7.271  44.821 106.766
  294    H    PHE  43           HN       PHE  43   5.804  47.119 105.765
  295    HA   PHE  43           HA       PHE  43   5.031  48.407 108.327
  296   1HB   PHE  43           HB2      PHE  43   6.435  49.917 106.141
  297   2HB   PHE  43           HB1      PHE  43   6.189  50.365 107.828
  298    HD1  PHE  43           HD2      PHE  43   7.947  47.952 105.599
  299    HD2  PHE  43           HD1      PHE  43   7.773  49.736 109.503
  300    HE1  PHE  43           HE2      PHE  43  10.116  46.900 106.176
  301    HE2  PHE  43           HE1      PHE  43   9.944  48.683 110.080
  302    HZ   PHE  43           HZ       PHE  43  11.116  47.266 108.417
  303    H    PHE  44           HN       PHE  44   3.173  49.360 108.229
  304    HA   PHE  44           HA       PHE  44   1.842  49.760 105.579
  305   1HB   PHE  44           HB2      PHE  44   0.238  49.843 108.088
  306   2HB   PHE  44           HB1      PHE  44  -0.171  49.158 106.516
  307    HD1  PHE  44           HD2      PHE  44   1.773  47.235 105.859
  308    HD2  PHE  44           HD1      PHE  44   0.290  48.232 109.764
  309    HE1  PHE  44           HE2      PHE  44   2.408  44.981 106.676
  310    HE2  PHE  44           HE1      PHE  44   0.925  45.978 110.581
  311    HZ   PHE  44           HZ       PHE  44   1.985  44.353 109.036
  312    H    GLY  45           HN       GLY  45   0.083  51.633 105.800
  313   1HA   GLY  45           HA2      GLY  45  -0.098  53.758 107.360
  314   2HA   GLY  45           HA1      GLY  45   1.580  53.966 106.876
  315    H    ASN  46           HN       ASN  46   1.219  55.891 105.755
  316    HA   ASN  46           HA       ASN  46  -0.239  55.566 103.166
  317   1HB   ASN  46           HB2      ASN  46  -0.535  57.743 105.223
  318   2HB   ASN  46           HB1      ASN  46  -0.849  58.079 103.521
  319   1HD2  ASN  46          HD22      ASN  46  -3.795  56.460 105.572
  320   2HD2  ASN  46          HD21      ASN  46  -2.551  57.428 106.203
  321    HA   PRO  47           HA       PRO  47   3.896  57.150 102.215
  322   1HB   PRO  47           HB2      PRO  47   3.923  56.135  99.661
  323   2HB   PRO  47           HB1      PRO  47   4.375  55.198 101.095
  324   1HG   PRO  47           HG2      PRO  47   1.871  55.056  99.474
  325   2HG   PRO  47           HG1      PRO  47   2.654  53.796 100.442
  326   1HD   PRO  47           HD2      PRO  47   0.395  55.294 101.216
  327   2HD   PRO  47           HD1      PRO  47   1.409  54.314 102.298
  328    H    LEU  48           HN       LEU  48   0.843  58.024 101.280
  329    HA   LEU  48           HA       LEU  48   1.825  60.038  99.297
  330   1HB   LEU  48           HB2      LEU  48  -0.561  58.388  99.443
  331   2HB   LEU  48           HB1      LEU  48  -0.989  60.098  99.377
  332    HG   LEU  48           HG       LEU  48  -0.806  59.290  97.104
  333   1HD1  LEU  48          HD13      LEU  48   0.810  61.360  98.199
  334   2HD1  LEU  48          HD12      LEU  48   1.763  60.562  96.948
  335   3HD1  LEU  48          HD11      LEU  48   0.180  61.236  96.557
  336   1HD2  LEU  48          HD22      LEU  48   1.715  58.069  98.176
  337   2HD2  LEU  48          HD21      LEU  48   0.499  57.367  97.109
  338   3HD2  LEU  48          HD23      LEU  48   1.664  58.529  96.475
  339    H    ALA  49           HN       ALA  49   2.270  60.380 102.109
  340    HA   ALA  49           HA       ALA  49   0.318  62.546 102.764
  341   1HB   ALA  49           HB3      ALA  49   1.282  60.339 104.301
  342   2HB   ALA  49           HB2      ALA  49   1.917  61.815 105.028
  343   3HB   ALA  49           HB1      ALA  49   0.178  61.615 104.813
  344    HA   PRO  50           HA       PRO  50   3.634  65.424 102.536
  345   1HB   PRO  50           HB2      PRO  50   2.767  67.281 104.375
  346   2HB   PRO  50           HB1      PRO  50   2.065  67.103 102.757
  347   1HG   PRO  50           HG2      PRO  50   0.957  66.237 105.392
  348   2HG   PRO  50           HG1      PRO  50   0.101  66.698 103.910
  349   1HD   PRO  50           HD2      PRO  50   0.510  64.059 104.802
  350   2HD   PRO  50           HD1      PRO  50   0.031  64.533 103.158
  351    H    ASN  51           HN       ASN  51   2.853  63.813 105.484
  352    HA   ASN  51           HA       ASN  51   5.293  64.829 106.838
  353   1HB   ASN  51           HB2      ASN  51   2.739  64.016 107.746
  354   2HB   ASN  51           HB1      ASN  51   3.882  62.811 108.337
  355   1HD2  ASN  51          HD22      ASN  51   3.861  66.500 110.000
  356   2HD2  ASN  51          HD21      ASN  51   2.729  66.045 108.818
  357    HA   PRO  52           HA       PRO  52   7.331  61.121 105.415
  358   1HB   PRO  52           HB2      PRO  52   9.707  61.593 106.714
  359   2HB   PRO  52           HB1      PRO  52   9.244  62.375 105.194
  360   1HG   PRO  52           HG2      PRO  52   9.291  63.514 107.952
  361   2HG   PRO  52           HG1      PRO  52   9.482  64.334 106.393
  362   1HD   PRO  52           HD2      PRO  52   7.135  64.321 107.958
  363   2HD   PRO  52           HD1      PRO  52   7.244  64.796 106.248
  364    H    ALA  53           HN       ALA  53   6.776  62.036 108.751
  365    HA   ALA  53           HA       ALA  53   7.709  59.422 109.767
  366   1HB   ALA  53           HB3      ALA  53   6.702  61.964 111.016
  367   2HB   ALA  53           HB2      ALA  53   6.678  60.467 111.950
  368   3HB   ALA  53           HB1      ALA  53   8.203  61.093 111.324
  369    H    ASP  54           HN       ASP  54   5.076  60.329 108.103
  370    HA   ASP  54           HA       ASP  54   3.249  58.571 109.695
  371   1HB   ASP  54           HB2      ASP  54   2.703  61.018 108.014
  372   2HB   ASP  54           HB1      ASP  54   1.426  59.862 108.392
  373    H    LYS  55           HN       LYS  55   5.144  58.584 106.995
  374    HA   LYS  55           HA       LYS  55   3.325  57.511 105.034
  375   1HB   LYS  55           HB2      LYS  55   6.330  57.468 105.265
  376   2HB   LYS  55           HB1      LYS  55   5.477  56.712 103.916
  377   1HG   LYS  55           HG2      LYS  55   4.555  58.764 103.189
  378   2HG   LYS  55           HG1      LYS  55   4.929  59.567 104.714
  379   1HD   LYS  55           HD2      LYS  55   7.360  59.298 104.218
  380   2HD   LYS  55           HD1      LYS  55   6.932  58.612 102.649
  381   1HE   LYS  55           HE2      LYS  55   5.788  60.683 102.022
  382   2HE   LYS  55           HE1      LYS  55   6.126  61.373 103.609
  383   1HZ   LYS  55           HZ3      LYS  55   8.546  60.926 103.054
  384   2HZ   LYS  55           HZ2      LYS  55   8.032  60.710 101.449
  385   3HZ   LYS  55           HZ1      LYS  55   7.792  62.201 102.228
  386    H    CYS  56           HN       CYS  56   5.940  55.303 105.301
  387    HA   CYS  56           HA       CYS  56   4.009  53.242 106.227
  388   1HB   CYS  56           HB2      CYS  56   6.769  52.760 105.085
  389   2HB   CYS  56           HB1      CYS  56   5.426  51.624 105.187
  390    H    LYS  57           HN       LYS  57   4.530  51.865 107.972
  391    HA   LYS  57           HA       LYS  57   7.041  52.150 109.433
  392   1HB   LYS  57           HB2      LYS  57   4.573  53.570 110.273
  393   2HB   LYS  57           HB1      LYS  57   5.409  52.673 111.542
  394   1HG   LYS  57           HG2      LYS  57   7.086  54.351 109.737
  395   2HG   LYS  57           HG1      LYS  57   6.080  55.193 110.913
  396   1HD   LYS  57           HD2      LYS  57   7.504  52.871 112.022
  397   2HD   LYS  57           HD1      LYS  57   8.571  54.149 111.438
  398   1HE   LYS  57           HE2      LYS  57   8.187  55.136 113.442
  399   2HE   LYS  57           HE1      LYS  57   6.621  55.580 112.760
  400   1HZ   LYS  57           HZ3      LYS  57   6.606  52.908 113.728
  401   2HZ   LYS  57           HZ2      LYS  57   7.071  53.989 114.954
  402   3HZ   LYS  57           HZ1      LYS  57   5.594  54.204 114.141
  403    H    ALA  58           HN       ALA  58   6.961  50.700 111.439
  404    HA   ALA  58           HA       ALA  58   5.771  48.159 110.707
  405   1HB   ALA  58           HB1      ALA  58   7.928  48.787 112.173
  406   2HB   ALA  58           HB3      ALA  58   6.759  48.620 113.483
  407   3HB   ALA  58           HB2      ALA  58   7.062  47.268 112.393
   
  No H/Q in entry =         407
  Start of MODEL    9
    1   1H    ARG   1           HT2      ARG   1  16.875  69.360  86.733
    2   2H    ARG   1           HT1      ARG   1  17.030  69.907  88.335
    3   3H    ARG   1           HT3      ARG   1  18.396  69.829  87.330
    4    HA   ARG   1           HA       ARG   1  18.801  67.842  88.194
    5   1HB   ARG   1           HB2      ARG   1  16.944  66.654  89.513
    6   2HB   ARG   1           HB1      ARG   1  17.485  68.213  90.142
    7   1HG   ARG   1           HG2      ARG   1  15.480  68.851  88.292
    8   2HG   ARG   1           HG1      ARG   1  14.860  67.446  89.160
    9   1HD   ARG   1           HD2      ARG   1  15.324  68.562  91.309
   10   2HD   ARG   1           HD1      ARG   1  15.947  69.968  90.445
   11    HE   ARG   1           HE       ARG   1  13.218  69.560  91.011
   12   1HH1  ARG   1          HH11      ARG   1  15.349  70.969  88.779
   13   2HH1  ARG   1          HH12      ARG   1  14.115  71.453  87.665
   14   1HH2  ARG   1          HH21      ARG   1  11.568  69.831  89.367
   15   2HH2  ARG   1          HH22      ARG   1  11.976  70.809  87.996
   16    HA   PRO   2           HA       PRO   2  17.416  65.100  85.044
   17   1HB   PRO   2           HB2      PRO   2  18.104  62.686  86.173
   18   2HB   PRO   2           HB1      PRO   2  19.282  63.821  85.495
   19   1HG   PRO   2           HG2      PRO   2  18.672  63.229  88.355
   20   2HG   PRO   2           HG1      PRO   2  20.179  63.804  87.624
   21   1HD   PRO   2           HD2      PRO   2  18.313  65.400  89.023
   22   2HD   PRO   2           HD1      PRO   2  19.629  65.994  87.987
   23    H    CYS   3           HN       CYS   3  16.443  62.443  85.445
   24    HA   CYS   3           HA       CYS   3  13.731  62.580  85.528
   25   1HB   CYS   3           HB2      CYS   3  15.661  60.515  85.969
   26   2HB   CYS   3           HB1      CYS   3  14.368  60.323  87.151
   27    H    GLN   4           HN       GLN   4  12.068  62.542  87.105
   28    HA   GLN   4           HA       GLN   4  12.504  62.369  89.921
   29   1HB   GLN   4           HB2      GLN   4  13.675  64.452  89.822
   30   2HB   GLN   4           HB1      GLN   4  12.466  65.158  88.748
   31   1HG   GLN   4           HG2      GLN   4  10.845  65.286  90.475
   32   2HG   GLN   4           HG1      GLN   4  11.746  64.183  91.514
   33   1HE2  GLN   4          HE22      GLN   4  12.683  67.308  93.047
   34   2HE2  GLN   4          HE21      GLN   4  11.518  66.074  93.116
   35    H    CYS   5           HN       CYS   5  10.536  61.607  90.528
   36    HA   CYS   5           HA       CYS   5   8.122  62.756  89.190
   37   1HB   CYS   5           HB2      CYS   5   7.644  60.330  90.750
   38   2HB   CYS   5           HB1      CYS   5   7.217  60.681  89.080
   39    H    ASN   6           HN       ASN   6   6.221  63.041  90.634
   40    HA   ASN   6           HA       ASN   6   7.053  64.198  93.190
   41   1HB   ASN   6           HB2      ASN   6   4.472  64.019  91.655
   42   2HB   ASN   6           HB1      ASN   6   4.447  64.488  93.355
   43   1HD2  ASN   6          HD22      ASN   6   6.625  67.410  92.580
   44   2HD2  ASN   6          HD21      ASN   6   6.723  66.063  93.609
   45    H    ASP   7           HN       ASP   7   7.789  62.257  94.299
   46    HA   ASP   7           HA       ASP   7   5.724  60.979  95.853
   47   1HB   ASP   7           HB2      ASP   7   5.999  58.682  95.018
   48   2HB   ASP   7           HB1      ASP   7   5.422  59.740  93.732
   49    H    ASN   8           HN       ASN   8   7.563  58.482  95.973
   50    HA   ASN   8           HA       ASN   8   9.458  59.678  97.924
   51   1HB   ASN   8           HB2      ASN   8   8.189  57.010  97.523
   52   2HB   ASN   8           HB1      ASN   8   9.790  57.039  98.258
   53   1HD2  ASN   8          HD22      ASN   8   6.700  57.850 100.594
   54   2HD2  ASN   8          HD21      ASN   8   6.625  56.975  99.141
   55    H    ILE   9           HN       ILE   9  10.906  60.514  96.271
   56    HA   ILE   9           HA       ILE   9  12.881  58.476  95.455
   57    HB   ILE   9           HB       ILE   9  12.993  59.484  93.144
   58   1HG1  ILE   9          HG12      ILE   9  10.373  60.374  92.814
   59   2HG1  ILE   9          HG11      ILE   9  10.879  61.116  94.332
   60   1HG2  ILE   9          HG23      ILE   9  11.499  57.420  94.124
   61   2HG2  ILE   9          HG22      ILE   9  10.256  58.391  93.333
   62   3HG2  ILE   9          HG21      ILE   9  11.641  57.810  92.409
   63   1HD1  ILE   9          HD11      ILE   9  13.076  61.676  93.007
   64   2HD1  ILE   9          HD13      ILE   9  12.057  61.437  91.588
   65   3HD1  ILE   9          HD12      ILE   9  11.644  62.677  92.771
   66    H    ASP  10           HN       ASP  10  14.969  59.400  95.154
   67    HA   ASP  10           HA       ASP  10  15.196  62.178  96.207
   68   1HB   ASP  10           HB2      ASP  10  16.764  59.702  96.560
   69   2HB   ASP  10           HB1      ASP  10  17.731  61.162  96.332
   70    HA   PRO  11           HA       PRO  11  16.552  63.177  92.071
   71   1HB   PRO  11           HB2      PRO  11  17.053  65.831  92.582
   72   2HB   PRO  11           HB1      PRO  11  15.431  65.174  92.301
   73   1HG   PRO  11           HG2      PRO  11  16.697  66.020  94.870
   74   2HG   PRO  11           HG1      PRO  11  14.986  66.014  94.411
   75   1HD   PRO  11           HD2      PRO  11  16.237  64.095  96.048
   76   2HD   PRO  11           HD1      PRO  11  14.665  63.901  95.241
   77    H    ASN  12           HN       ASN  12  18.402  63.422  94.976
   78    HA   ASN  12           HA       ASN  12  20.846  64.386  93.689
   79   1HB   ASN  12           HB2      ASN  12  20.537  63.020  96.380
   80   2HB   ASN  12           HB1      ASN  12  21.897  64.007  95.844
   81   1HD2  ASN  12          HD22      ASN  12  20.127  67.108  96.240
   82   2HD2  ASN  12          HD21      ASN  12  21.379  66.362  95.369
   83    H    ALA  13           HN       ALA  13  20.337  61.333  95.492
   84    HA   ALA  13           HA       ALA  13  22.459  59.935  94.259
   85   1HB   ALA  13           HB2      ALA  13  19.858  58.854  95.384
   86   2HB   ALA  13           HB1      ALA  13  21.276  57.874  95.010
   87   3HB   ALA  13           HB3      ALA  13  21.360  59.098  96.275
   88    H    VAL  14           HN       VAL  14  21.942  57.826  92.898
   89    HA   VAL  14           HA       VAL  14  20.208  58.677  90.613
   90    HB   VAL  14           HB       VAL  14  22.794  57.110  90.697
   91   1HG1  VAL  14          HG13      VAL  14  20.817  57.413  88.416
   92   2HG1  VAL  14          HG12      VAL  14  22.465  56.812  88.231
   93   3HG1  VAL  14          HG11      VAL  14  21.299  55.907  89.197
   94   1HG2  VAL  14          HG23      VAL  14  22.058  59.823  90.154
   95   2HG2  VAL  14          HG22      VAL  14  23.663  59.096  90.084
   96   3HG2  VAL  14          HG21      VAL  14  22.633  59.099  88.652
   97    H    GLY  15           HN       GLY  15  19.247  56.795  89.390
   98   1HA   GLY  15           HA2      GLY  15  18.638  54.399  89.394
   99   2HA   GLY  15           HA1      GLY  15  18.832  54.418  91.150
  100    H    ASN  16           HN       ASN  16  17.397  57.206  91.029
  101    HA   ASN  16           HA       ASN  16  14.806  56.214  91.734
  102   1HB   ASN  16           HB2      ASN  16  15.929  58.943  91.180
  103   2HB   ASN  16           HB1      ASN  16  14.194  58.731  91.424
  104   1HD2  ASN  16          HD22      ASN  16  14.623  57.608  94.858
  105   2HD2  ASN  16          HD21      ASN  16  13.690  57.275  93.481
  106    H    CYS  17           HN       CYS  17  16.103  56.382  88.647
  107    HA   CYS  17           HA       CYS  17  13.351  56.427  87.506
  108   1HB   CYS  17           HB2      CYS  17  14.903  58.570  87.179
  109   2HB   CYS  17           HB1      CYS  17  15.563  57.579  85.880
  110    H    ASN  18           HN       ASN  18  13.054  54.881  85.854
  111    HA   ASN  18           HA       ASN  18  15.095  52.792  85.709
  112   1HB   ASN  18           HB2      ASN  18  12.957  52.638  83.703
  113   2HB   ASN  18           HB1      ASN  18  13.434  51.463  84.911
  114   1HD2  ASN  18          HD22      ASN  18  10.249  53.850  85.592
  115   2HD2  ASN  18          HD21      ASN  18  11.116  53.925  84.137
  116    H    ARG  19           HN       ARG  19  16.731  52.760  84.243
  117    HA   ARG  19           HA       ARG  19  17.085  54.871  82.337
  118   1HB   ARG  19           HB2      ARG  19  19.035  53.587  81.580
  119   2HB   ARG  19           HB1      ARG  19  18.962  53.599  83.343
  120   1HG   ARG  19           HG2      ARG  19  17.414  51.385  82.394
  121   2HG   ARG  19           HG1      ARG  19  18.993  51.335  81.609
  122   1HD   ARG  19           HD2      ARG  19  19.255  52.022  84.419
  123   2HD   ARG  19           HD1      ARG  19  18.395  50.495  84.220
  124    HE   ARG  19           HE       ARG  19  20.357  49.566  83.179
  125   1HH1  ARG  19          HH11      ARG  19  21.028  52.383  81.971
  126   2HH1  ARG  19          HH12      ARG  19  22.569  52.655  82.714
  127   1HH2  ARG  19          HH21      ARG  19  22.190  50.113  85.043
  128   2HH2  ARG  19          HH22      ARG  19  23.226  51.370  84.454
  129    H    LEU  20           HN       LEU  20  15.414  51.841  82.143
  130    HA   LEU  20           HA       LEU  20  15.369  52.043  79.170
  131   1HB   LEU  20           HB2      LEU  20  14.393  49.734  79.262
  132   2HB   LEU  20           HB1      LEU  20  16.014  49.855  79.940
  133    HG   LEU  20           HG       LEU  20  14.298  50.399  82.091
  134   1HD1  LEU  20          HD13      LEU  20  13.316  48.049  80.447
  135   2HD1  LEU  20          HD12      LEU  20  12.825  48.401  82.104
  136   3HD1  LEU  20          HD11      LEU  20  12.408  49.519  80.805
  137   1HD2  LEU  20          HD23      LEU  20  16.500  49.024  81.806
  138   2HD2  LEU  20          HD22      LEU  20  15.350  48.530  83.048
  139   3HD2  LEU  20          HD21      LEU  20  15.415  47.665  81.513
  140    H    THR  21           HN       THR  21  13.104  51.788  81.945
  141    HA   THR  21           HA       THR  21  10.823  52.118  80.123
  142    HB   THR  21           HB       THR  21   9.842  52.426  82.689
  143    HG1  THR  21           HG1      THR  21  11.910  50.498  82.771
  144   1HG2  THR  21          HG21      THR  21   9.703  50.604  80.573
  145   2HG2  THR  21          HG23      THR  21  10.161  49.628  81.968
  146   3HG2  THR  21          HG22      THR  21   8.695  50.606  82.020
  147    H    GLY  22           HN       GLY  22  12.546  54.068  82.561
  148   1HA   GLY  22           HA2      GLY  22  12.701  56.451  82.564
  149   2HA   GLY  22           HA1      GLY  22  11.497  56.502  81.276
  150    H    GLU  23           HN       GLU  23  11.755  55.686  84.777
  151    HA   GLU  23           HA       GLU  23   9.571  57.396  85.495
  152   1HB   GLU  23           HB2      GLU  23   8.713  55.028  84.306
  153   2HB   GLU  23           HB1      GLU  23   8.600  54.683  86.032
  154   1HG   GLU  23           HG2      GLU  23   6.499  55.662  85.326
  155   2HG   GLU  23           HG1      GLU  23   7.350  56.851  86.311
  156    H    CYS  24           HN       CYS  24   9.059  57.114  87.870
  157    HA   CYS  24           HA       CYS  24  11.334  56.870  89.449
  158   1HB   CYS  24           HB2      CYS  24   8.409  56.743  89.956
  159   2HB   CYS  24           HB1      CYS  24   9.446  56.140  91.248
  160    H    LEU  25           HN       LEU  25  12.616  55.141  89.988
  161    HA   LEU  25           HA       LEU  25  11.384  52.417  89.847
  162   1HB   LEU  25           HB2      LEU  25  13.188  53.264  88.100
  163   2HB   LEU  25           HB1      LEU  25  14.315  52.844  89.363
  164    HG   LEU  25           HG       LEU  25  13.236  51.189  87.404
  165   1HD1  LEU  25          HD12      LEU  25  15.084  51.063  89.625
  166   2HD1  LEU  25          HD11      LEU  25  14.273  49.515  89.380
  167   3HD1  LEU  25          HD13      LEU  25  15.161  50.265  88.053
  168   1HD2  LEU  25          HD22      LEU  25  11.150  50.953  88.707
  169   2HD2  LEU  25          HD21      LEU  25  12.042  49.433  88.663
  170   3HD2  LEU  25          HD23      LEU  25  12.087  50.439  90.110
  171    H    LYS  26           HN       LYS  26  13.582  54.529  91.662
  172    HA   LYS  26           HA       LYS  26  13.969  52.301  93.624
  173   1HB   LYS  26           HB2      LYS  26  15.899  53.757  92.393
  174   2HB   LYS  26           HB1      LYS  26  15.664  54.706  93.865
  175   1HG   LYS  26           HG2      LYS  26  15.908  52.622  95.187
  176   2HG   LYS  26           HG1      LYS  26  16.281  51.759  93.696
  177   1HD   LYS  26           HD2      LYS  26  18.423  52.433  93.824
  178   2HD   LYS  26           HD1      LYS  26  17.897  54.116  93.795
  179   1HE   LYS  26           HE2      LYS  26  19.235  53.499  95.839
  180   2HE   LYS  26           HE1      LYS  26  17.635  54.148  96.198
  181   1HZ   LYS  26           HZ3      LYS  26  17.395  51.390  95.843
  182   2HZ   LYS  26           HZ2      LYS  26  18.696  51.654  96.902
  183   3HZ   LYS  26           HZ1      LYS  26  17.161  52.285  97.264
  184    H    CYS  27           HN       CYS  27  11.848  52.851  94.715
  185    HA   CYS  27           HA       CYS  27  11.141  55.400  95.693
  186   1HB   CYS  27           HB2      CYS  27  10.672  52.710  97.016
  187   2HB   CYS  27           HB1      CYS  27   9.732  54.179  97.285
  188    H    ILE  28           HN       ILE  28  11.447  56.372  97.816
  189    HA   ILE  28           HA       ILE  28  14.007  55.520  99.072
  190    HB   ILE  28           HB       ILE  28  13.497  57.986 100.145
  191   1HG1  ILE  28          HG12      ILE  28  12.849  58.311  97.228
  192   2HG1  ILE  28          HG11      ILE  28  11.555  58.060  98.397
  193   1HG2  ILE  28          HG21      ILE  28  15.531  56.912  98.891
  194   2HG2  ILE  28          HG23      ILE  28  14.873  57.752  97.486
  195   3HG2  ILE  28          HG22      ILE  28  15.358  58.667  98.914
  196   1HD1  ILE  28          HD11      ILE  28  13.105  59.970  99.637
  197   2HD1  ILE  28          HD13      ILE  28  13.224  60.426  97.938
  198   3HD1  ILE  28          HD12      ILE  28  11.642  60.300  98.708
  199    H    TYR  29           HN       TYR  29  11.137  57.219 100.299
  200    HA   TYR  29           HA       TYR  29  11.559  56.392 102.999
  201   1HB   TYR  29           HB2      TYR  29   9.007  57.404 101.726
  202   2HB   TYR  29           HB1      TYR  29   9.377  57.391 103.448
  203    HD1  TYR  29           HD2      TYR  29  12.466  57.993 102.175
  204    HD2  TYR  29           HD1      TYR  29   8.644  59.940 102.440
  205    HE1  TYR  29           HE2      TYR  29  13.572  60.196 101.938
  206    HE2  TYR  29           HE1      TYR  29   9.753  62.144 102.203
  207    HH   TYR  29           HH       TYR  29  11.837  63.069 101.314
  208    H    ASN  30           HN       ASN  30  11.751  54.007 102.579
  209    HA   ASN  30           HA       ASN  30  10.830  51.817 102.337
  210   1HB   ASN  30           HB2      ASN  30   9.612  53.234 104.690
  211   2HB   ASN  30           HB1      ASN  30   9.179  51.559 104.341
  212   1HD2  ASN  30          HD22      ASN  30  12.032  50.669 106.249
  213   2HD2  ASN  30          HD21      ASN  30  10.338  50.634 106.146
  214    H    THR  31           HN       THR  31   9.628  53.103 100.304
  215    HA   THR  31           HA       THR  31   6.740  52.356 100.631
  216    HB   THR  31           HB       THR  31   6.251  54.049  98.875
  217    HG1  THR  31           HG1      THR  31   8.978  54.744  99.216
  218   1HG2  THR  31          HG21      THR  31   6.827  54.488 101.548
  219   2HG2  THR  31          HG23      THR  31   7.770  55.732 100.727
  220   3HG2  THR  31          HG22      THR  31   6.029  55.634 100.472
  221    H    ALA  32           HN       ALA  32   5.785  51.282  98.809
  222    HA   ALA  32           HA       ALA  32   7.811  50.118  96.932
  223   1HB   ALA  32           HB2      ALA  32   6.658  48.620  98.742
  224   2HB   ALA  32           HB1      ALA  32   5.260  48.704  97.670
  225   3HB   ALA  32           HB3      ALA  32   6.778  48.022  97.087
  226    H    GLY  33           HN       GLY  33   5.733  48.740  95.426
  227   1HA   GLY  33           HA2      GLY  33   4.083  49.160  93.780
  228   2HA   GLY  33           HA1      GLY  33   3.940  50.811  94.382
  229    H    PHE  34           HN       PHE  34   4.283  49.815  91.603
  230    HA   PHE  34           HA       PHE  34   6.920  50.262  90.652
  231   1HB   PHE  34           HB2      PHE  34   5.008  49.310  89.316
  232   2HB   PHE  34           HB1      PHE  34   4.340  50.936  89.193
  233    HD1  PHE  34           HD2      PHE  34   7.941  49.978  89.110
  234    HD2  PHE  34           HD1      PHE  34   4.558  51.373  86.854
  235    HE1  PHE  34           HE2      PHE  34   9.420  50.433  87.177
  236    HE2  PHE  34           HE1      PHE  34   6.041  51.826  84.922
  237    HZ   PHE  34           HZ       PHE  34   8.470  51.357  85.081
  238    H    TYR  35           HN       TYR  35   4.493  52.582  91.734
  239    HA   TYR  35           HA       TYR  35   6.250  54.778  90.720
  240   1HB   TYR  35           HB2      TYR  35   3.280  54.635  91.242
  241   2HB   TYR  35           HB1      TYR  35   4.122  56.181  91.122
  242    HD1  TYR  35           HD2      TYR  35   5.409  56.733  89.023
  243    HD2  TYR  35           HD1      TYR  35   2.785  53.343  89.300
  244    HE1  TYR  35           HE2      TYR  35   5.344  56.581  86.549
  245    HE2  TYR  35           HE1      TYR  35   2.721  53.191  86.825
  246    HH   TYR  35           HH       TYR  35   3.070  54.728  84.883
  247    H    CYS  36           HN       CYS  36   6.294  53.138  93.336
  248    HA   CYS  36           HA       CYS  36   6.806  53.599  95.577
  249   1HB   CYS  36           HB2      CYS  36   7.025  56.438  94.526
  250   2HB   CYS  36           HB1      CYS  36   7.624  55.872  96.087
  251    H    ASP  37           HN       ASP  37   4.020  53.704  94.560
  252    HA   ASP  37           HA       ASP  37   2.823  55.674  96.450
  253   1HB   ASP  37           HB2      ASP  37   1.876  54.301  93.964
  254   2HB   ASP  37           HB1      ASP  37   0.674  54.731  95.182
  255    H    ARG  38           HN       ARG  38   4.093  52.977  97.103
  256    HA   ARG  38           HA       ARG  38   1.734  51.892  98.552
  257   1HB   ARG  38           HB2      ARG  38   3.114  50.571  96.512
  258   2HB   ARG  38           HB1      ARG  38   3.785  49.899  97.999
  259   1HG   ARG  38           HG2      ARG  38   1.758  49.016  98.683
  260   2HG   ARG  38           HG1      ARG  38   0.818  50.227  97.811
  261   1HD   ARG  38           HD2      ARG  38   2.198  48.892  95.796
  262   2HD   ARG  38           HD1      ARG  38   1.740  47.606  96.915
  263    HE   ARG  38           HE       ARG  38  -0.064  48.994  95.179
  264   1HH1  ARG  38          HH11      ARG  38   0.001  46.575  97.386
  265   2HH1  ARG  38          HH12      ARG  38  -1.557  46.874  98.081
  266   1HH2  ARG  38          HH21      ARG  38  -1.966  49.936  96.504
  267   2HH2  ARG  38          HH22      ARG  38  -2.671  48.776  97.581
  268    H    CYS  39           HN       CYS  39   2.805  50.201 100.211
  269    HA   CYS  39           HA       CYS  39   5.008  51.655 101.617
  270   1HB   CYS  39           HB2      CYS  39   2.347  50.693 102.501
  271   2HB   CYS  39           HB1      CYS  39   3.646  50.357 103.634
  272    H    LYS  40           HN       LYS  40   6.745  50.302 102.361
  273    HA   LYS  40           HA       LYS  40   7.129  47.804 101.106
  274   1HB   LYS  40           HB2      LYS  40   9.044  48.854 102.071
  275   2HB   LYS  40           HB1      LYS  40   8.279  48.954 103.655
  276   1HG   LYS  40           HG2      LYS  40   8.447  46.604 104.005
  277   2HG   LYS  40           HG1      LYS  40   8.846  46.308 102.313
  278   1HD   LYS  40           HD2      LYS  40  10.762  48.158 103.300
  279   2HD   LYS  40           HD1      LYS  40  10.625  46.870 104.497
  280   1HE   LYS  40           HE2      LYS  40  12.202  45.959 103.047
  281   2HE   LYS  40           HE1      LYS  40  10.709  45.299 102.379
  282   1HZ   LYS  40           HZ1      LYS  40  11.683  47.904 101.433
  283   2HZ   LYS  40           HZ3      LYS  40  12.407  46.489 100.842
  284   3HZ   LYS  40           HZ2      LYS  40  10.742  46.746 100.621
  285    H    GLU  41           HN       GLU  41   6.669  45.698 101.669
  286    HA   GLU  41           HA       GLU  41   4.380  45.137 103.264
  287   1HB   GLU  41           HB2      GLU  41   5.857  43.727 101.447
  288   2HB   GLU  41           HB1      GLU  41   6.326  42.934 102.952
  289   1HG   GLU  41           HG2      GLU  41   3.782  42.893 103.470
  290   2HG   GLU  41           HG1      GLU  41   3.577  43.203 101.745
  291    H    GLY  42           HN       GLY  42   4.179  44.905 105.449
  292   1HA   GLY  42           HA2      GLY  42   5.195  43.772 107.488
  293   2HA   GLY  42           HA1      GLY  42   6.700  44.590 107.035
  294    H    PHE  43           HN       PHE  43   5.509  46.978 106.109
  295    HA   PHE  43           HA       PHE  43   4.248  48.051 108.575
  296   1HB   PHE  43           HB2      PHE  43   6.172  49.656 106.909
  297   2HB   PHE  43           HB1      PHE  43   5.524  50.013 108.511
  298    HD1  PHE  43           HD2      PHE  43   7.380  47.227 106.792
  299    HD2  PHE  43           HD1      PHE  43   6.958  49.656 110.310
  300    HE1  PHE  43           HE2      PHE  43   9.309  46.063 107.828
  301    HE2  PHE  43           HE1      PHE  43   8.887  48.494 111.346
  302    HZ   PHE  43           HZ       PHE  43  10.064  46.696 110.106
  303    H    PHE  44           HN       PHE  44   2.481  49.104 108.163
  304    HA   PHE  44           HA       PHE  44   1.835  49.864 105.346
  305   1HB   PHE  44           HB2      PHE  44  -0.263  49.588 107.476
  306   2HB   PHE  44           HB1      PHE  44  -0.410  49.362 105.734
  307    HD1  PHE  44           HD1      PHE  44   1.762  47.560 105.059
  308    HD2  PHE  44           HD2      PHE  44  -0.802  47.554 108.505
  309    HE1  PHE  44           HE1      PHE  44   2.141  45.125 105.338
  310    HE2  PHE  44           HE2      PHE  44  -0.422  45.119 108.785
  311    HZ   PHE  44           HZ       PHE  44   1.050  43.905 107.200
  312    H    GLY  45           HN       GLY  45  -0.017  51.724 105.508
  313   1HA   GLY  45           HA2      GLY  45  -0.449  53.640 107.278
  314   2HA   GLY  45           HA1      GLY  45   1.288  53.860 107.112
  315    H    ASN  46           HN       ASN  46   1.350  55.793 106.090
  316    HA   ASN  46           HA       ASN  46   0.016  55.936 103.411
  317   1HB   ASN  46           HB2      ASN  46   0.219  57.964 105.611
  318   2HB   ASN  46           HB1      ASN  46   0.174  58.520 103.936
  319   1HD2  ASN  46          HD22      ASN  46  -3.350  58.162 105.252
  320   2HD2  ASN  46          HD21      ASN  46  -1.989  59.014 105.803
  321    HA   PRO  47           HA       PRO  47   4.440  56.389 102.559
  322   1HB   PRO  47           HB2      PRO  47   4.262  55.295 100.045
  323   2HB   PRO  47           HB1      PRO  47   4.427  54.330 101.522
  324   1HG   PRO  47           HG2      PRO  47   2.027  54.741  99.808
  325   2HG   PRO  47           HG1      PRO  47   2.419  53.390 100.883
  326   1HD   PRO  47           HD2      PRO  47   0.619  55.514 101.444
  327   2HD   PRO  47           HD1      PRO  47   1.229  54.317 102.605
  328    H    LEU  48           HN       LEU  48   1.629  57.762 101.201
  329    HA   LEU  48           HA       LEU  48   3.255  59.473  99.366
  330   1HB   LEU  48           HB2      LEU  48   1.112  58.095  98.637
  331   2HB   LEU  48           HB1      LEU  48   0.262  59.477  99.331
  332    HG   LEU  48           HG       LEU  48   2.435  60.458  97.745
  333   1HD1  LEU  48          HD12      LEU  48   1.288  58.023  96.732
  334   2HD1  LEU  48          HD11      LEU  48   0.826  59.362  95.681
  335   3HD1  LEU  48          HD13      LEU  48   2.530  59.040  96.003
  336   1HD2  LEU  48          HD23      LEU  48  -0.323  60.939  98.255
  337   2HD2  LEU  48          HD22      LEU  48   0.814  61.985  97.406
  338   3HD2  LEU  48          HD21      LEU  48  -0.135  60.803  96.506
  339    H    ALA  49           HN       ALA  49   3.230  59.941 102.214
  340    HA   ALA  49           HA       ALA  49   1.570  62.416 102.395
  341   1HB   ALA  49           HB2      ALA  49   2.288  60.323 104.298
  342   2HB   ALA  49           HB1      ALA  49   2.671  61.932 104.910
  343   3HB   ALA  49           HB3      ALA  49   1.024  61.548 104.411
  344    HA   PRO  50           HA       PRO  50   5.272  64.791 102.267
  345   1HB   PRO  50           HB2      PRO  50   4.416  66.999 103.676
  346   2HB   PRO  50           HB1      PRO  50   3.940  66.665 102.000
  347   1HG   PRO  50           HG2      PRO  50   2.347  66.336 104.509
  348   2HG   PRO  50           HG1      PRO  50   1.792  66.686 102.862
  349   1HD   PRO  50           HD2      PRO  50   1.666  64.168 104.109
  350   2HD   PRO  50           HD1      PRO  50   1.536  64.461 102.361
  351    H    ASN  51           HN       ASN  51   3.665  64.081 105.289
  352    HA   ASN  51           HA       ASN  51   6.164  64.617 106.812
  353   1HB   ASN  51           HB2      ASN  51   3.377  63.935 107.799
  354   2HB   ASN  51           HB1      ASN  51   4.755  64.359 108.816
  355   1HD2  ASN  51          HD22      ASN  51   2.526  67.338 107.418
  356   2HD2  ASN  51          HD21      ASN  51   2.011  65.725 107.538
  357    HA   PRO  52           HA       PRO  52   6.872  60.226 106.695
  358   1HB   PRO  52           HB2      PRO  52   8.955  60.203 108.494
  359   2HB   PRO  52           HB1      PRO  52   9.120  60.689 106.797
  360   1HG   PRO  52           HG2      PRO  52   9.069  62.393 109.241
  361   2HG   PRO  52           HG1      PRO  52   9.849  62.694 107.682
  362   1HD   PRO  52           HD2      PRO  52   7.421  63.844 108.540
  363   2HD   PRO  52           HD1      PRO  52   8.022  63.809 106.867
  364    H    ALA  53           HN       ALA  53   5.512  61.979 109.265
  365    HA   ALA  53           HA       ALA  53   5.701  59.962 111.351
  366   1HB   ALA  53           HB1      ALA  53   4.487  62.585 111.006
  367   2HB   ALA  53           HB3      ALA  53   3.382  61.471 111.810
  368   3HB   ALA  53           HB2      ALA  53   4.980  61.774 112.492
  369    H    ASP  54           HN       ASP  54   3.614  60.569 108.618
  370    HA   ASP  54           HA       ASP  54   1.820  58.340 109.475
  371   1HB   ASP  54           HB2      ASP  54   1.501  60.710 107.666
  372   2HB   ASP  54           HB1      ASP  54   0.578  59.253 107.296
  373    H    LYS  55           HN       LYS  55   4.550  58.027 108.477
  374    HA   LYS  55           HA       LYS  55   4.485  57.203 105.704
  375   1HB   LYS  55           HB2      LYS  55   6.475  57.852 107.349
  376   2HB   LYS  55           HB1      LYS  55   6.497  56.115 107.638
  377   1HG   LYS  55           HG2      LYS  55   6.497  55.876 105.067
  378   2HG   LYS  55           HG1      LYS  55   6.917  57.587 105.039
  379   1HD   LYS  55           HD2      LYS  55   8.465  55.429 106.506
  380   2HD   LYS  55           HD1      LYS  55   8.945  56.172 104.980
  381   1HE   LYS  55           HE2      LYS  55   9.599  58.125 105.980
  382   2HE   LYS  55           HE1      LYS  55   8.326  58.048 107.198
  383   1HZ   LYS  55           HZ1      LYS  55   9.727  56.002 107.993
  384   2HZ   LYS  55           HZ3      LYS  55  10.985  56.819 107.203
  385   3HZ   LYS  55           HZ2      LYS  55  10.142  57.580 108.466
  386    H    CYS  56           HN       CYS  56   5.977  54.637 106.340
  387    HA   CYS  56           HA       CYS  56   3.558  52.933 106.644
  388   1HB   CYS  56           HB2      CYS  56   6.307  51.994 105.813
  389   2HB   CYS  56           HB1      CYS  56   4.749  51.238 105.485
  390    H    LYS  57           HN       LYS  57   3.372  52.863 108.932
  391    HA   LYS  57           HA       LYS  57   5.754  51.902 110.437
  392   1HB   LYS  57           HB2      LYS  57   3.150  52.658 111.733
  393   2HB   LYS  57           HB1      LYS  57   4.793  52.810 112.360
  394   1HG   LYS  57           HG2      LYS  57   5.225  54.557 110.596
  395   2HG   LYS  57           HG1      LYS  57   3.511  54.488 110.185
  396   1HD   LYS  57           HD2      LYS  57   4.553  55.091 112.965
  397   2HD   LYS  57           HD1      LYS  57   4.093  56.331 111.798
  398   1HE   LYS  57           HE2      LYS  57   1.878  54.807 111.686
  399   2HE   LYS  57           HE1      LYS  57   2.377  54.450 113.339
  400   1HZ   LYS  57           HZ3      LYS  57   2.599  56.930 113.616
  401   2HZ   LYS  57           HZ2      LYS  57   1.762  57.088 112.147
  402   3HZ   LYS  57           HZ1      LYS  57   1.017  56.337 113.476
  403    H    ALA  58           HN       ALA  58   4.514  50.582 112.535
  404    HA   ALA  58           HA       ALA  58   3.904  48.023 111.317
  405   1HB   ALA  58           HB3      ALA  58   4.061  49.086 114.115
  406   2HB   ALA  58           HB2      ALA  58   3.245  47.548 113.841
  407   3HB   ALA  58           HB1      ALA  58   4.936  47.744 113.380
   
  No H/Q in entry =         407
  Start of MODEL   10
    1   1H    ARG   1           HT1      ARG   1  15.030  70.563  92.275
    2   2H    ARG   1           HT3      ARG   1  16.603  70.772  91.676
    3   3H    ARG   1           HT2      ARG   1  15.361  71.818  91.178
    4    HA   ARG   1           HA       ARG   1  14.313  70.178  89.903
    5   1HB   ARG   1           HB2      ARG   1  17.039  70.864  89.508
    6   2HB   ARG   1           HB1      ARG   1  16.880  69.154  89.103
    7   1HG   ARG   1           HG2      ARG   1  15.702  69.608  87.231
    8   2HG   ARG   1           HG1      ARG   1  14.648  70.738  88.083
    9   1HD   ARG   1           HD2      ARG   1  16.461  72.453  87.964
   10   2HD   ARG   1           HD1      ARG   1  17.416  71.328  86.997
   11    HE   ARG   1           HE       ARG   1  16.016  71.805  85.150
   12   1HH1  ARG   1          HH21      ARG   1  13.368  71.326  85.629
   13   2HH1  ARG   1          HH22      ARG   1  12.620  72.850  85.972
   14   1HH2  ARG   1          HH11      ARG   1  15.612  74.460  86.670
   15   2HH2  ARG   1          HH12      ARG   1  13.891  74.624  86.561
   16    HA   PRO   2           HA       PRO   2  14.688  66.384  92.382
   17   1HB   PRO   2           HB2      PRO   2  12.015  65.772  92.194
   18   2HB   PRO   2           HB1      PRO   2  12.688  66.850  93.428
   19   1HG   PRO   2           HG2      PRO   2  11.107  67.541  90.998
   20   2HG   PRO   2           HG1      PRO   2  11.266  68.428  92.522
   21   1HD   PRO   2           HD2      PRO   2  12.594  69.034  90.093
   22   2HD   PRO   2           HD1      PRO   2  12.971  69.713  91.692
   23    H    CYS   3           HN       CYS   3  13.240  64.177  91.679
   24    HA   CYS   3           HA       CYS   3  14.108  63.720  88.869
   25   1HB   CYS   3           HB2      CYS   3  14.729  62.229  90.956
   26   2HB   CYS   3           HB1      CYS   3  13.130  61.539  90.682
   27    H    GLN   4           HN       GLN   4  12.664  62.625  87.399
   28    HA   GLN   4           HA       GLN   4  10.130  63.617  87.047
   29   1HB   GLN   4           HB2      GLN   4  11.405  61.035  86.299
   30   2HB   GLN   4           HB1      GLN   4   9.652  61.133  86.127
   31   1HG   GLN   4           HG2      GLN   4  10.362  63.520  85.052
   32   2HG   GLN   4           HG1      GLN   4  11.779  62.557  84.629
   33   1HE2  GLN   4          HE22      GLN   4   8.130  61.519  83.032
   34   2HE2  GLN   4          HE21      GLN   4   8.180  62.423  84.469
   35    H    CYS   5           HN       CYS   5   9.772  60.211  87.786
   36    HA   CYS   5           HA       CYS   5   7.414  60.564  89.274
   37   1HB   CYS   5           HB2      CYS   5   7.611  58.266  89.903
   38   2HB   CYS   5           HB1      CYS   5   8.343  58.394  88.306
   39    H    ASN   6           HN       ASN   6   7.063  61.371  91.273
   40    HA   ASN   6           HA       ASN   6   9.410  61.679  93.091
   41   1HB   ASN   6           HB2      ASN   6   6.730  63.100  93.162
   42   2HB   ASN   6           HB1      ASN   6   8.141  63.483  94.146
   43   1HD2  ASN   6          HD22      ASN   6   7.835  65.296  90.647
   44   2HD2  ASN   6          HD21      ASN   6   6.540  64.660  91.544
   45    H    ASP   7           HN       ASP   7   7.375  62.239  95.289
   46    HA   ASP   7           HA       ASP   7   6.035  61.043  96.819
   47   1HB   ASP   7           HB2      ASP   7   5.263  59.761  94.699
   48   2HB   ASP   7           HB1      ASP   7   6.417  58.529  95.209
   49    H    ASN   8           HN       ASN   8   8.277  58.496  95.623
   50    HA   ASN   8           HA       ASN   8   9.705  58.711  98.238
   51   1HB   ASN   8           HB2      ASN   8   8.929  56.057  97.025
   52   2HB   ASN   8           HB1      ASN   8   9.505  56.380  98.658
   53   1HD2  ASN   8          HD22      ASN   8   6.298  57.182  99.904
   54   2HD2  ASN   8          HD21      ASN   8   7.952  57.004 100.243
   55    H    ILE   9           HN       ILE   9  11.217  59.792  96.548
   56    HA   ILE   9           HA       ILE   9  13.099  57.691  95.607
   57    HB   ILE   9           HB       ILE   9  13.440  59.095  93.495
   58   1HG1  ILE   9          HG12      ILE   9  10.696  60.036  93.508
   59   2HG1  ILE   9          HG11      ILE   9  11.611  60.757  94.835
   60   1HG2  ILE   9          HG22      ILE   9  12.141  56.890  93.727
   61   2HG2  ILE   9          HG21      ILE   9  10.682  57.880  93.721
   62   3HG2  ILE   9          HG23      ILE   9  11.757  57.886  92.324
   63   1HD1  ILE   9          HD13      ILE   9  13.372  60.827  92.666
   64   2HD1  ILE   9          HD12      ILE   9  11.810  61.265  91.974
   65   3HD1  ILE   9          HD11      ILE   9  12.470  62.194  93.320
   66    H    ASP  10           HN       ASP  10  15.286  58.406  95.558
   67    HA   ASP  10           HA       ASP  10  15.729  60.978  97.009
   68   1HB   ASP  10           HB2      ASP  10  17.142  58.346  96.989
   69   2HB   ASP  10           HB1      ASP  10  18.088  59.799  97.302
   70    HA   PRO  11           HA       PRO  11  17.604  62.300  93.165
   71   1HB   PRO  11           HB2      PRO  11  18.237  64.819  94.048
   72   2HB   PRO  11           HB1      PRO  11  16.614  64.349  93.515
   73   1HG   PRO  11           HG2      PRO  11  17.625  64.805  96.287
   74   2HG   PRO  11           HG1      PRO  11  15.980  64.977  95.649
   75   1HD   PRO  11           HD2      PRO  11  16.931  62.798  97.170
   76   2HD   PRO  11           HD1      PRO  11  15.429  62.832  96.218
   77    H    ASN  12           HN       ASN  12  19.071  61.870  96.204
   78    HA   ASN  12           HA       ASN  12  21.709  62.908  95.505
   79   1HB   ASN  12           HB2      ASN  12  20.817  62.709  97.866
   80   2HB   ASN  12           HB1      ASN  12  21.010  60.963  97.724
   81   1HD2  ASN  12          HD22      ASN  12  24.525  61.064  98.169
   82   2HD2  ASN  12          HD21      ASN  12  23.162  60.097  97.872
   83    H    ALA  13           HN       ALA  13  20.914  59.559  96.495
   84    HA   ALA  13           HA       ALA  13  23.119  58.447  95.044
   85   1HB   ALA  13           HB3      ALA  13  20.725  57.385  96.460
   86   2HB   ALA  13           HB2      ALA  13  21.493  56.315  95.285
   87   3HB   ALA  13           HB1      ALA  13  22.425  56.950  96.641
   88    H    VAL  14           HN       VAL  14  22.736  56.740  93.261
   89    HA   VAL  14           HA       VAL  14  20.892  57.940  91.242
   90    HB   VAL  14           HB       VAL  14  23.256  56.096  90.780
   91   1HG1  VAL  14          HG13      VAL  14  21.490  56.149  89.012
   92   2HG1  VAL  14          HG12      VAL  14  21.708  57.895  88.890
   93   3HG1  VAL  14          HG11      VAL  14  23.029  56.808  88.457
   94   1HG2  VAL  14          HG23      VAL  14  23.204  58.852  91.532
   95   2HG2  VAL  14          HG22      VAL  14  24.597  57.890  91.038
   96   3HG2  VAL  14          HG21      VAL  14  23.662  58.771  89.830
   97    H    GLY  15           HN       GLY  15  19.711  56.429  89.841
   98   1HA   GLY  15           HA2      GLY  15  18.986  54.129  89.349
   99   2HA   GLY  15           HA1      GLY  15  19.381  53.705  91.017
  100    H    ASN  16           HN       ASN  16  18.152  56.153  92.123
  101    HA   ASN  16           HA       ASN  16  15.629  55.271  92.838
  102   1HB   ASN  16           HB2      ASN  16  16.249  58.187  92.285
  103   2HB   ASN  16           HB1      ASN  16  15.095  57.539  93.449
  104   1HD2  ASN  16          HD22      ASN  16  19.075  57.602  94.386
  105   2HD2  ASN  16          HD21      ASN  16  18.571  57.940  92.801
  106    H    CYS  17           HN       CYS  17  16.570  56.629  89.758
  107    HA   CYS  17           HA       CYS  17  13.726  56.367  88.879
  108   1HB   CYS  17           HB2      CYS  17  15.636  58.312  87.598
  109   2HB   CYS  17           HB1      CYS  17  13.873  58.322  87.581
  110    H    ASN  18           HN       ASN  18  13.565  55.833  86.479
  111    HA   ASN  18           HA       ASN  18  15.833  54.061  85.714
  112   1HB   ASN  18           HB2      ASN  18  13.502  54.122  83.918
  113   2HB   ASN  18           HB1      ASN  18  14.313  52.743  84.634
  114   1HD2  ASN  18          HD22      ASN  18  12.318  53.416  87.761
  115   2HD2  ASN  18          HD21      ASN  18  13.958  53.571  87.385
  116    H    ARG  19           HN       ARG  19  17.218  54.670  84.084
  117    HA   ARG  19           HA       ARG  19  17.146  57.313  83.022
  118   1HB   ARG  19           HB2      ARG  19  18.614  54.862  82.002
  119   2HB   ARG  19           HB1      ARG  19  18.942  56.520  81.499
  120   1HG   ARG  19           HG2      ARG  19  19.121  56.914  84.124
  121   2HG   ARG  19           HG1      ARG  19  19.501  55.191  84.118
  122   1HD   ARG  19           HD2      ARG  19  20.874  56.953  82.128
  123   2HD   ARG  19           HD1      ARG  19  21.419  57.003  83.804
  124    HE   ARG  19           HE       ARG  19  21.274  54.284  83.151
  125   1HH1  ARG  19          HH21      ARG  19  23.784  55.880  83.876
  126   2HH1  ARG  19          HH22      ARG  19  24.775  55.583  82.487
  127   1HH2  ARG  19          HH11      ARG  19  22.156  54.411  80.539
  128   2HH2  ARG  19          HH12      ARG  19  23.854  54.749  80.598
  129    H    LEU  20           HN       LEU  20  15.925  54.249  81.703
  130    HA   LEU  20           HA       LEU  20  15.128  55.699  79.232
  131   1HB   LEU  20           HB2      LEU  20  14.516  53.337  78.455
  132   2HB   LEU  20           HB1      LEU  20  16.229  53.671  78.703
  133    HG   LEU  20           HG       LEU  20  14.820  52.711  81.108
  134   1HD1  LEU  20          HD13      LEU  20  13.877  51.452  78.996
  135   2HD1  LEU  20          HD12      LEU  20  15.443  50.643  79.025
  136   3HD1  LEU  20          HD11      LEU  20  14.368  50.531  80.418
  137   1HD2  LEU  20          HD23      LEU  20  17.444  52.463  79.733
  138   2HD2  LEU  20          HD22      LEU  20  17.088  52.686  81.446
  139   3HD2  LEU  20          HD21      LEU  20  16.948  51.086  80.718
  140    H    THR  21           HN       THR  21  13.644  53.855  81.914
  141    HA   THR  21           HA       THR  21  10.968  54.199  80.739
  142    HB   THR  21           HB       THR  21  10.602  53.350  83.349
  143    HG1  THR  21           HG1      THR  21  12.722  51.787  82.516
  144   1HG2  THR  21          HG23      THR  21  11.046  51.885  80.749
  145   2HG2  THR  21          HG22      THR  21  10.583  51.040  82.226
  146   3HG2  THR  21          HG21      THR  21   9.518  52.267  81.540
  147    H    GLY  22           HN       GLY  22  13.059  56.071  82.742
  148   1HA   GLY  22           HA2      GLY  22  12.660  57.980  84.061
  149   2HA   GLY  22           HA1      GLY  22  11.337  58.280  82.933
  150    H    GLU  23           HN       GLU  23  11.782  55.634  85.287
  151    HA   GLU  23           HA       GLU  23   9.325  56.604  86.670
  152   1HB   GLU  23           HB2      GLU  23   8.202  54.751  86.031
  153   2HB   GLU  23           HB1      GLU  23   9.583  54.276  85.055
  154   1HG   GLU  23           HG2      GLU  23   9.358  52.417  86.419
  155   2HG   GLU  23           HG1      GLU  23  10.501  53.358  87.370
  156    H    CYS  24           HN       CYS  24   9.174  55.447  88.935
  157    HA   CYS  24           HA       CYS  24  11.656  55.962  90.319
  158   1HB   CYS  24           HB2      CYS  24   9.031  54.717  91.159
  159   2HB   CYS  24           HB1      CYS  24  10.381  54.902  92.275
  160    H    LEU  25           HN       LEU  25  13.346  54.558  89.795
  161    HA   LEU  25           HA       LEU  25  12.868  51.711  89.428
  162   1HB   LEU  25           HB2      LEU  25  14.960  53.482  88.767
  163   2HB   LEU  25           HB1      LEU  25  15.647  52.389  89.902
  164    HG   LEU  25           HG       LEU  25  14.642  51.901  87.147
  165   1HD1  LEU  25          HD13      LEU  25  17.082  51.920  88.154
  166   2HD1  LEU  25          HD12      LEU  25  16.682  50.257  88.584
  167   3HD1  LEU  25          HD11      LEU  25  16.636  50.769  86.896
  168   1HD2  LEU  25          HD21      LEU  25  14.034  50.127  89.445
  169   2HD2  LEU  25          HD23      LEU  25  13.201  50.302  87.900
  170   3HD2  LEU  25          HD22      LEU  25  14.681  49.349  88.001
  171    H    LYS  26           HN       LYS  26  13.328  53.690  92.184
  172    HA   LYS  26           HA       LYS  26  13.570  51.285  93.860
  173   1HB   LYS  26           HB2      LYS  26  15.914  52.512  93.038
  174   2HB   LYS  26           HB1      LYS  26  15.640  53.174  94.654
  175   1HG   LYS  26           HG2      LYS  26  15.423  50.947  95.568
  176   2HG   LYS  26           HG1      LYS  26  15.572  50.245  93.960
  177   1HD   LYS  26           HD2      LYS  26  17.844  50.956  93.753
  178   2HD   LYS  26           HD1      LYS  26  17.714  51.998  95.169
  179   1HE   LYS  26           HE2      LYS  26  17.968  50.263  96.638
  180   2HE   LYS  26           HE1      LYS  26  17.080  49.134  95.614
  181   1HZ   LYS  26           HZ1      LYS  26  19.393  49.834  94.245
  182   2HZ   LYS  26           HZ3      LYS  26  19.865  49.493  95.839
  183   3HZ   LYS  26           HZ2      LYS  26  19.012  48.332  94.940
  184    H    CYS  27           HN       CYS  27  11.588  52.045  94.992
  185    HA   CYS  27           HA       CYS  27  11.116  54.691  95.864
  186   1HB   CYS  27           HB2      CYS  27  10.359  52.070  97.207
  187   2HB   CYS  27           HB1      CYS  27   9.638  53.632  97.581
  188    H    ILE  28           HN       ILE  28  11.531  55.692  97.989
  189    HA   ILE  28           HA       ILE  28  14.039  54.645  99.193
  190    HB   ILE  28           HB       ILE  28  13.650  57.091 100.354
  191   1HG1  ILE  28          HG12      ILE  28  13.001  57.494  97.443
  192   2HG1  ILE  28          HG11      ILE  28  11.722  57.348  98.646
  193   1HG2  ILE  28          HG23      ILE  28  15.291  55.899  98.224
  194   2HG2  ILE  28          HG22      ILE  28  15.173  57.655  98.132
  195   3HG2  ILE  28          HG21      ILE  28  15.781  56.889  99.601
  196   1HD1  ILE  28          HD12      ILE  28  13.067  59.151  99.958
  197   2HD1  ILE  28          HD11      ILE  28  13.841  59.469  98.405
  198   3HD1  ILE  28          HD13      ILE  28  12.096  59.662  98.577
  199    H    TYR  29           HN       TYR  29  11.162  56.312 100.439
  200    HA   TYR  29           HA       TYR  29  11.680  55.439 103.143
  201   1HB   TYR  29           HB2      TYR  29   9.126  56.581 101.989
  202   2HB   TYR  29           HB1      TYR  29   9.563  56.506 103.695
  203    HD1  TYR  29           HD2      TYR  29  12.572  57.114 103.201
  204    HD2  TYR  29           HD1      TYR  29   8.942  59.011 101.902
  205    HE1  TYR  29           HE2      TYR  29  13.774  59.271 102.985
  206    HE2  TYR  29           HE1      TYR  29  10.145  61.166 101.688
  207    HH   TYR  29           HH       TYR  29  13.373  61.597 102.892
  208    H    ASN  30           HN       ASN  30  11.462  53.094 101.454
  209    HA   ASN  30           HA       ASN  30  10.441  50.998 101.476
  210   1HB   ASN  30           HB2      ASN  30   9.685  52.213 104.108
  211   2HB   ASN  30           HB1      ASN  30   8.943  50.686 103.626
  212   1HD2  ASN  30          HD22      ASN  30  12.003  49.661 105.382
  213   2HD2  ASN  30          HD21      ASN  30  10.475  50.294 105.765
  214    H    THR  31           HN       THR  31   9.189  52.086  99.602
  215    HA   THR  31           HA       THR  31   6.286  51.801 100.224
  216    HB   THR  31           HB       THR  31   5.732  53.672  98.802
  217    HG1  THR  31           HG1      THR  31   7.356  53.472  97.279
  218   1HG2  THR  31          HG23      THR  31   6.971  53.916 101.235
  219   2HG2  THR  31          HG22      THR  31   7.951  54.984 100.231
  220   3HG2  THR  31          HG21      THR  31   6.212  55.249 100.366
  221    H    ALA  32           HN       ALA  32   5.094  50.822  98.521
  222    HA   ALA  32           HA       ALA  32   6.854  49.603  96.424
  223   1HB   ALA  32           HB1      ALA  32   5.727  48.036  98.023
  224   2HB   ALA  32           HB3      ALA  32   4.172  48.598  97.414
  225   3HB   ALA  32           HB2      ALA  32   5.286  47.751  96.339
  226    H    GLY  33           HN       GLY  33   4.704  48.677  94.779
  227   1HA   GLY  33           HA2      GLY  33   3.060  49.461  93.243
  228   2HA   GLY  33           HA1      GLY  33   3.175  51.063  93.967
  229    H    PHE  34           HN       PHE  34   3.321  50.209  91.117
  230    HA   PHE  34           HA       PHE  34   5.898  50.269  90.028
  231   1HB   PHE  34           HB2      PHE  34   3.690  50.034  88.776
  232   2HB   PHE  34           HB1      PHE  34   3.535  51.786  88.863
  233    HD1  PHE  34           HD2      PHE  34   6.633  49.756  88.368
  234    HD2  PHE  34           HD1      PHE  34   3.815  52.481  86.603
  235    HE1  PHE  34           HE2      PHE  34   8.093  49.978  86.381
  236    HE2  PHE  34           HE1      PHE  34   5.280  52.699  84.616
  237    HZ   PHE  34           HZ       PHE  34   7.416  51.449  84.504
  238    H    TYR  35           HN       TYR  35   4.051  52.942  91.439
  239    HA   TYR  35           HA       TYR  35   6.422  54.700  90.933
  240   1HB   TYR  35           HB2      TYR  35   3.475  55.258  90.746
  241   2HB   TYR  35           HB1      TYR  35   4.574  56.559  91.206
  242    HD1  TYR  35           HD2      TYR  35   6.881  56.456  89.700
  243    HD2  TYR  35           HD1      TYR  35   2.966  55.181  88.480
  244    HE1  TYR  35           HE2      TYR  35   7.523  56.761  87.325
  245    HE2  TYR  35           HE1      TYR  35   3.607  55.484  86.103
  246    HH   TYR  35           HH       TYR  35   5.380  56.966  84.852
  247    H    CYS  36           HN       CYS  36   6.234  53.040  93.233
  248    HA   CYS  36           HA       CYS  36   6.230  53.159  95.583
  249   1HB   CYS  36           HB2      CYS  36   6.686  56.110  95.034
  250   2HB   CYS  36           HB1      CYS  36   7.077  55.252  96.522
  251    H    ASP  37           HN       ASP  37   3.688  53.075  94.545
  252    HA   ASP  37           HA       ASP  37   2.148  55.260  95.842
  253   1HB   ASP  37           HB2      ASP  37   1.634  53.293  93.676
  254   2HB   ASP  37           HB1      ASP  37   0.254  53.741  94.680
  255    H    ARG  38           HN       ARG  38   3.402  52.395  96.848
  256    HA   ARG  38           HA       ARG  38   1.109  51.949  98.688
  257   1HB   ARG  38           HB2      ARG  38   2.009  50.147  96.721
  258   2HB   ARG  38           HB1      ARG  38   2.645  49.532  98.247
  259   1HG   ARG  38           HG2      ARG  38   0.439  49.527  99.242
  260   2HG   ARG  38           HG1      ARG  38  -0.245  50.341  97.835
  261   1HD   ARG  38           HD2      ARG  38  -0.576  48.357  96.831
  262   2HD   ARG  38           HD1      ARG  38   1.148  48.008  96.934
  263    HE   ARG  38           HE       ARG  38   0.119  47.471  99.486
  264   1HH1  ARG  38          HH11      ARG  38  -2.119  46.703  97.390
  265   2HH1  ARG  38          HH12      ARG  38  -1.847  44.994  97.312
  266   1HH2  ARG  38          HH21      ARG  38   1.238  45.143  98.886
  267   2HH2  ARG  38          HH22      ARG  38   0.054  44.111  98.155
  268    H    CYS  39           HN       CYS  39   2.154  50.180 100.378
  269    HA   CYS  39           HA       CYS  39   4.632  51.492 101.416
  270   1HB   CYS  39           HB2      CYS  39   2.314  50.229 102.919
  271   2HB   CYS  39           HB1      CYS  39   3.762  50.843 103.699
  272    H    LYS  40           HN       LYS  40   6.390  50.102 101.692
  273    HA   LYS  40           HA       LYS  40   6.348  47.442 100.739
  274   1HB   LYS  40           HB2      LYS  40   8.474  48.450 100.904
  275   2HB   LYS  40           HB1      LYS  40   8.198  48.966 102.566
  276   1HG   LYS  40           HG2      LYS  40   8.221  46.577 103.279
  277   2HG   LYS  40           HG1      LYS  40   8.610  46.114 101.621
  278   1HD   LYS  40           HD2      LYS  40  10.279  47.982 103.331
  279   2HD   LYS  40           HD1      LYS  40  10.639  46.277 103.060
  280   1HE   LYS  40           HE2      LYS  40  10.390  48.350 100.861
  281   2HE   LYS  40           HE1      LYS  40  11.919  47.781 101.533
  282   1HZ   LYS  40           HZ3      LYS  40  10.854  45.464 100.966
  283   2HZ   LYS  40           HZ2      LYS  40   9.998  46.385  99.824
  284   3HZ   LYS  40           HZ1      LYS  40  11.697  46.356  99.796
  285    H    GLU  41           HN       GLU  41   6.207  45.435 101.795
  286    HA   GLU  41           HA       GLU  41   4.385  45.215 103.981
  287   1HB   GLU  41           HB2      GLU  41   5.079  43.463 102.177
  288   2HB   GLU  41           HB1      GLU  41   6.373  43.059 103.303
  289   1HG   GLU  41           HG2      GLU  41   3.526  43.236 104.264
  290   2HG   GLU  41           HG1      GLU  41   4.115  41.766 103.488
  291    H    GLY  42           HN       GLY  42   4.745  45.368 106.164
  292   1HA   GLY  42           HA2      GLY  42   6.279  44.585 108.039
  293   2HA   GLY  42           HA1      GLY  42   7.594  45.301 107.090
  294    H    PHE  43           HN       PHE  43   6.080  47.489 106.105
  295    HA   PHE  43           HA       PHE  43   5.508  48.998 108.599
  296   1HB   PHE  43           HB2      PHE  43   6.725  50.288 106.168
  297   2HB   PHE  43           HB1      PHE  43   6.613  50.899 107.821
  298    HD1  PHE  43           HD1      PHE  43   8.314  48.473 105.602
  299    HD2  PHE  43           HD2      PHE  43   8.185  50.207 109.529
  300    HE1  PHE  43           HE1      PHE  43  10.512  47.452 106.124
  301    HE2  PHE  43           HE2      PHE  43  10.385  49.187 110.051
  302    HZ   PHE  43           HZ       PHE  43  11.548  47.808 108.349
  303    H    PHE  44           HN       PHE  44   3.669  50.011 108.557
  304    HA   PHE  44           HA       PHE  44   2.108  50.113 106.011
  305   1HB   PHE  44           HB2      PHE  44   0.830  50.357 108.717
  306   2HB   PHE  44           HB1      PHE  44   0.154  49.712 107.222
  307    HD1  PHE  44           HD1      PHE  44   1.430  47.581 106.259
  308    HD2  PHE  44           HD2      PHE  44   1.508  48.847 110.363
  309    HE1  PHE  44           HE1      PHE  44   2.062  45.286 106.956
  310    HE2  PHE  44           HE2      PHE  44   2.140  46.553 111.058
  311    HZ   PHE  44           HZ       PHE  44   2.417  44.772 109.355
  312    H    GLY  45           HN       GLY  45   0.264  51.980 106.403
  313   1HA   GLY  45           HA2      GLY  45   0.150  54.242 107.623
  314   2HA   GLY  45           HA1      GLY  45   1.843  54.401 107.171
  315    H    ASN  46           HN       ASN  46   1.590  56.191 105.860
  316    HA   ASN  46           HA       ASN  46   0.070  55.709 103.322
  317   1HB   ASN  46           HB2      ASN  46   0.279  58.286 104.905
  318   2HB   ASN  46           HB1      ASN  46  -0.411  58.168 103.286
  319   1HD2  ASN  46          HD22      ASN  46  -3.058  55.891 104.690
  320   2HD2  ASN  46          HD21      ASN  46  -1.808  55.681 103.561
  321    HA   PRO  47           HA       PRO  47   4.217  56.572 101.884
  322   1HB   PRO  47           HB2      PRO  47   3.735  55.928  99.263
  323   2HB   PRO  47           HB1      PRO  47   4.038  54.726 100.528
  324   1HG   PRO  47           HG2      PRO  47   1.461  55.449  99.209
  325   2HG   PRO  47           HG1      PRO  47   1.949  53.919  99.957
  326   1HD   PRO  47           HD2      PRO  47   0.269  55.871 101.130
  327   2HD   PRO  47           HD1      PRO  47   1.036  54.510 101.973
  328    H    LEU  48           HN       LEU  48   1.256  58.069 100.818
  329    HA   LEU  48           HA       LEU  48   2.842  60.169  99.400
  330   1HB   LEU  48           HB2      LEU  48   0.863  58.896  98.265
  331   2HB   LEU  48           HB1      LEU  48  -0.153  59.951  99.249
  332    HG   LEU  48           HG       LEU  48   1.123  61.918  98.331
  333   1HD1  LEU  48          HD11      LEU  48   2.918  59.999  97.501
  334   2HD1  LEU  48          HD13      LEU  48   2.058  60.371  96.008
  335   3HD1  LEU  48          HD12      LEU  48   2.869  61.657  96.903
  336   1HD2  LEU  48          HD22      LEU  48  -1.063  60.816  97.362
  337   2HD2  LEU  48          HD21      LEU  48  -0.231  62.063  96.432
  338   3HD2  LEU  48          HD23      LEU  48  -0.010  60.362  96.021
  339    H    ALA  49           HN       ALA  49   2.691  60.082 102.286
  340    HA   ALA  49           HA       ALA  49   0.771  62.223 102.994
  341   1HB   ALA  49           HB3      ALA  49   2.586  60.397 104.555
  342   2HB   ALA  49           HB2      ALA  49   1.962  61.867 105.303
  343   3HB   ALA  49           HB1      ALA  49   0.846  60.633 104.721
  344    HA   PRO  50           HA       PRO  50   3.822  65.368 102.624
  345   1HB   PRO  50           HB2      PRO  50   2.790  67.178 104.428
  346   2HB   PRO  50           HB1      PRO  50   2.113  66.914 102.811
  347   1HG   PRO  50           HG2      PRO  50   1.076  65.991 105.459
  348   2HG   PRO  50           HG1      PRO  50   0.186  66.370 103.974
  349   1HD   PRO  50           HD2      PRO  50   0.792  63.777 104.877
  350   2HD   PRO  50           HD1      PRO  50   0.309  64.204 103.221
  351    H    ASN  51           HN       ASN  51   2.927  64.087 105.760
  352    HA   ASN  51           HA       ASN  51   5.527  64.972 106.911
  353   1HB   ASN  51           HB2      ASN  51   3.108  65.137 108.044
  354   2HB   ASN  51           HB1      ASN  51   3.499  63.486 108.527
  355   1HD2  ASN  51          HD22      ASN  51   5.672  66.603 110.079
  356   2HD2  ASN  51          HD21      ASN  51   4.716  66.854 108.698
  357    HA   PRO  52           HA       PRO  52   6.899  60.814 106.094
  358   1HB   PRO  52           HB2      PRO  52   9.342  61.061 107.345
  359   2HB   PRO  52           HB1      PRO  52   8.998  61.662 105.714
  360   1HG   PRO  52           HG2      PRO  52   9.265  63.191 108.263
  361   2HG   PRO  52           HG1      PRO  52   9.590  63.709 106.600
  362   1HD   PRO  52           HD2      PRO  52   7.290  64.372 108.083
  363   2HD   PRO  52           HD1      PRO  52   7.454  64.504 106.318
  364    H    ALA  53           HN       ALA  53   6.282  62.235 109.186
  365    HA   ALA  53           HA       ALA  53   7.091  59.959 110.808
  366   1HB   ALA  53           HB1      ALA  53   5.242  62.305 111.332
  367   2HB   ALA  53           HB3      ALA  53   5.629  61.086 112.545
  368   3HB   ALA  53           HB2      ALA  53   6.903  62.113 111.889
  369    H    ASP  54           HN       ASP  54   4.337  60.793 108.878
  370    HA   ASP  54           HA       ASP  54   2.823  58.472 110.004
  371   1HB   ASP  54           HB2      ASP  54   2.004  61.079 108.791
  372   2HB   ASP  54           HB1      ASP  54   0.974  59.680 108.488
  373    H    LYS  55           HN       LYS  55   5.026  58.830 107.802
  374    HA   LYS  55           HA       LYS  55   3.811  58.133 105.311
  375   1HB   LYS  55           HB2      LYS  55   6.304  58.858 106.062
  376   2HB   LYS  55           HB1      LYS  55   6.546  57.124 105.866
  377   1HG   LYS  55           HG2      LYS  55   6.937  57.893 103.695
  378   2HG   LYS  55           HG1      LYS  55   5.218  57.498 103.616
  379   1HD   LYS  55           HD2      LYS  55   4.892  59.629 102.942
  380   2HD   LYS  55           HD1      LYS  55   5.247  60.098 104.605
  381   1HE   LYS  55           HE2      LYS  55   7.717  60.071 103.930
  382   2HE   LYS  55           HE1      LYS  55   7.151  59.984 102.261
  383   1HZ   LYS  55           HZ2      LYS  55   5.993  62.028 104.007
  384   2HZ   LYS  55           HZ1      LYS  55   7.575  62.274 103.438
  385   3HZ   LYS  55           HZ3      LYS  55   6.301  62.077 102.336
  386    H    CYS  56           HN       CYS  56   5.603  55.724 104.845
  387    HA   CYS  56           HA       CYS  56   3.697  53.717 105.892
  388   1HB   CYS  56           HB2      CYS  56   6.057  53.383 104.008
  389   2HB   CYS  56           HB1      CYS  56   4.845  52.159 104.371
  390    H    LYS  57           HN       LYS  57   4.452  53.906 108.149
  391    HA   LYS  57           HA       LYS  57   7.068  52.520 108.577
  392   1HB   LYS  57           HB2      LYS  57   5.801  54.770 110.162
  393   2HB   LYS  57           HB1      LYS  57   7.180  53.832 110.736
  394   1HG   LYS  57           HG2      LYS  57   7.790  54.614 108.081
  395   2HG   LYS  57           HG1      LYS  57   7.157  56.045 108.894
  396   1HD   LYS  57           HD2      LYS  57   8.784  55.011 110.835
  397   2HD   LYS  57           HD1      LYS  57   9.666  54.565 109.375
  398   1HE   LYS  57           HE2      LYS  57   8.689  57.260 109.109
  399   2HE   LYS  57           HE1      LYS  57   9.581  57.107 110.623
  400   1HZ   LYS  57           HZ3      LYS  57  11.337  55.946 109.258
  401   2HZ   LYS  57           HZ2      LYS  57  10.521  56.513 107.880
  402   3HZ   LYS  57           HZ1      LYS  57  11.171  57.613 108.999
  403    H    ALA  58           HN       ALA  58   6.964  51.872 111.166
  404    HA   ALA  58           HA       ALA  58   5.065  49.736 111.296
  405   1HB   ALA  58           HB1      ALA  58   7.247  50.733 112.893
  406   2HB   ALA  58           HB3      ALA  58   5.871  50.387 113.938
  407   3HB   ALA  58           HB2      ALA  58   6.527  49.124 112.897
   
  No H/Q in entry =         407
  Start of MODEL   11
    1   1H    ARG   1           HT3      ARG   1  10.762  66.420  79.604
    2   2H    ARG   1           HT2      ARG   1   9.396  65.434  79.388
    3   3H    ARG   1           HT1      ARG   1   9.372  67.050  78.864
    4    HA   ARG   1           HA       ARG   1   9.220  67.900  80.989
    5   1HB   ARG   1           HB2      ARG   1   7.770  65.245  81.167
    6   2HB   ARG   1           HB1      ARG   1   7.341  66.746  81.989
    7   1HG   ARG   1           HG2      ARG   1   7.294  67.707  79.522
    8   2HG   ARG   1           HG1      ARG   1   7.032  66.015  79.100
    9   1HD   ARG   1           HD2      ARG   1   5.155  65.969  80.782
   10   2HD   ARG   1           HD1      ARG   1   5.350  67.713  80.961
   11    HE   ARG   1           HE       ARG   1   5.006  67.570  78.301
   12   1HH1  ARG   1          HH11      ARG   1   3.918  64.840  78.364
   13   2HH1  ARG   1          HH12      ARG   1   2.224  65.097  78.617
   14   1HH2  ARG   1          HH21      ARG   1   2.610  68.365  79.704
   15   2HH2  ARG   1          HH22      ARG   1   1.484  67.091  79.376
   16    HA   PRO   2           HA       PRO   2  11.929  66.183  84.002
   17   1HB   PRO   2           HB2      PRO   2  10.908  67.387  86.254
   18   2HB   PRO   2           HB1      PRO   2  11.888  68.237  85.046
   19   1HG   PRO   2           HG2      PRO   2   8.940  68.369  85.510
   20   2HG   PRO   2           HG1      PRO   2  10.027  69.598  84.842
   21   1HD   PRO   2           HD2      PRO   2   8.299  67.955  83.336
   22   2HD   PRO   2           HD1      PRO   2   9.662  68.897  82.692
   23    H    CYS   3           HN       CYS   3  11.980  64.650  85.795
   24    HA   CYS   3           HA       CYS   3   9.919  62.676  85.765
   25   1HB   CYS   3           HB2      CYS   3  12.412  63.156  87.237
   26   2HB   CYS   3           HB1      CYS   3  11.187  62.341  88.210
   27    H    GLN   4           HN       GLN   4   8.488  62.103  87.633
   28    HA   GLN   4           HA       GLN   4   7.979  64.145  89.652
   29   1HB   GLN   4           HB2      GLN   4   5.588  64.506  88.855
   30   2HB   GLN   4           HB1      GLN   4   6.838  65.274  87.874
   31   1HG   GLN   4           HG2      GLN   4   6.189  64.103  86.067
   32   2HG   GLN   4           HG1      GLN   4   6.423  62.586  86.937
   33   1HE2  GLN   4          HE22      GLN   4   2.670  64.284  86.966
   34   2HE2  GLN   4          HE21      GLN   4   4.025  65.286  86.773
   35    H    CYS   5           HN       CYS   5   7.575  62.885  91.379
   36    HA   CYS   5           HA       CYS   5   5.418  60.913  91.286
   37   1HB   CYS   5           HB2      CYS   5   6.649  58.958  91.663
   38   2HB   CYS   5           HB1      CYS   5   7.680  59.798  90.510
   39    H    ASN   6           HN       ASN   6   5.377  59.821  93.642
   40    HA   ASN   6           HA       ASN   6   4.993  61.863  95.540
   41   1HB   ASN   6           HB2      ASN   6   5.824  58.991  96.086
   42   2HB   ASN   6           HB1      ASN   6   5.060  60.082  97.244
   43   1HD2  ASN   6          HD22      ASN   6   1.839  59.924  95.604
   44   2HD2  ASN   6          HD21      ASN   6   2.838  60.986  96.475
   45    H    ASP   7           HN       ASP   7   6.368  62.399  97.453
   46    HA   ASP   7           HA       ASP   7   9.145  62.765  96.619
   47   1HB   ASP   7           HB2      ASP   7   7.362  63.840  98.669
   48   2HB   ASP   7           HB1      ASP   7   8.977  63.510  99.298
   49    H    ASN   8           HN       ASN   8   9.550  60.349  96.513
   50    HA   ASN   8           HA       ASN   8  10.609  59.454  99.134
   51   1HB   ASN   8           HB2      ASN   8   8.916  57.640  97.401
   52   2HB   ASN   8           HB1      ASN   8   9.564  57.288  99.003
   53   1HD2  ASN   8          HD22      ASN   8   5.978  58.988  98.788
   54   2HD2  ASN   8          HD21      ASN   8   6.723  58.147  97.515
   55    H    ILE   9           HN       ILE   9  12.474  60.241  97.631
   56    HA   ILE   9           HA       ILE   9  13.685  57.809  96.476
   57    HB   ILE   9           HB       ILE   9  14.355  59.020  94.401
   58   1HG1  ILE   9          HG12      ILE   9  12.246  61.064  94.775
   59   2HG1  ILE   9          HG11      ILE   9  13.673  61.277  95.790
   60   1HG2  ILE   9          HG22      ILE   9  12.356  57.552  94.437
   61   2HG2  ILE   9          HG21      ILE   9  11.360  58.936  94.888
   62   3HG2  ILE   9          HG23      ILE   9  12.154  58.897  93.313
   63   1HD1  ILE   9          HD11      ILE   9  13.897  60.747  92.823
   64   2HD1  ILE   9          HD13      ILE   9  13.738  62.381  93.469
   65   3HD1  ILE   9          HD12      ILE   9  15.127  61.389  93.913
   66    H    ASP  10           HN       ASP  10  16.091  58.518  95.763
   67    HA   ASP  10           HA       ASP  10  17.085  60.225  98.000
   68   1HB   ASP  10           HB2      ASP  10  18.871  58.471  96.344
   69   2HB   ASP  10           HB1      ASP  10  19.036  58.946  98.035
   70    HA   PRO  11           HA       PRO  11  18.368  63.218  95.029
   71   1HB   PRO  11           HB2      PRO  11  20.238  64.523  96.560
   72   2HB   PRO  11           HB1      PRO  11  18.488  64.709  96.779
   73   1HG   PRO  11           HG2      PRO  11  20.440  63.179  98.446
   74   2HG   PRO  11           HG1      PRO  11  18.913  63.944  98.920
   75   1HD   PRO  11           HD2      PRO  11  19.284  61.186  98.461
   76   2HD   PRO  11           HD1      PRO  11  17.721  62.030  98.551
   77    H    ASN  12           HN       ASN  12  20.973  61.504  96.781
   78    HA   ASN  12           HA       ASN  12  22.965  62.149  94.752
   79   1HB   ASN  12           HB2      ASN  12  23.250  59.912  96.745
   80   2HB   ASN  12           HB1      ASN  12  24.480  61.012  96.118
   81   1HD2  ASN  12          HD22      ASN  12  22.633  63.705  98.135
   82   2HD2  ASN  12          HD21      ASN  12  22.633  63.388  96.467
   83    H    ALA  13           HN       ALA  13  20.413  59.839  94.668
   84    HA   ALA  13           HA       ALA  13  21.798  57.611  93.522
   85   1HB   ALA  13           HB1      ALA  13  19.151  58.208  94.147
   86   2HB   ALA  13           HB3      ALA  13  19.143  58.066  92.390
   87   3HB   ALA  13           HB2      ALA  13  19.723  56.726  93.380
   88    H    VAL  14           HN       VAL  14  20.744  57.168  91.000
   89    HA   VAL  14           HA       VAL  14  22.081  59.343  89.448
   90    HB   VAL  14           HB       VAL  14  21.444  56.508  88.588
   91   1HG1  VAL  14          HG11      VAL  14  22.002  58.717  87.045
   92   2HG1  VAL  14          HG13      VAL  14  23.607  58.030  87.294
   93   3HG1  VAL  14          HG12      VAL  14  22.330  57.051  86.570
   94   1HG2  VAL  14          HG23      VAL  14  23.952  57.771  89.731
   95   2HG2  VAL  14          HG22      VAL  14  23.053  56.398  90.377
   96   3HG2  VAL  14          HG21      VAL  14  23.954  56.231  88.870
   97    H    GLY  15           HN       GLY  15  20.065  60.655  89.513
   98   1HA   GLY  15           HA2      GLY  15  18.313  61.512  88.153
   99   2HA   GLY  15           HA1      GLY  15  18.371  60.026  87.205
  100    H    ASN  16           HN       ASN  16  18.191  58.441  89.839
  101    HA   ASN  16           HA       ASN  16  16.467  57.395  91.007
  102   1HB   ASN  16           HB2      ASN  16  15.410  60.233  91.024
  103   2HB   ASN  16           HB1      ASN  16  14.783  58.923  92.026
  104   1HD2  ASN  16          HD22      ASN  16  18.400  60.621  92.928
  105   2HD2  ASN  16          HD21      ASN  16  17.664  60.932  91.432
  106    H    CYS  17           HN       CYS  17  16.154  58.040  87.929
  107    HA   CYS  17           HA       CYS  17  13.270  57.271  87.862
  108   1HB   CYS  17           HB2      CYS  17  14.764  59.030  85.895
  109   2HB   CYS  17           HB1      CYS  17  13.097  58.485  85.701
  110    H    ASN  18           HN       ASN  18  12.708  55.912  85.965
  111    HA   ASN  18           HA       ASN  18  14.753  53.898  85.506
  112   1HB   ASN  18           HB2      ASN  18  12.496  53.845  83.630
  113   2HB   ASN  18           HB1      ASN  18  13.074  52.588  84.701
  114   1HD2  ASN  18          HD22      ASN  18  10.458  53.125  87.005
  115   2HD2  ASN  18          HD21      ASN  18  11.660  52.089  86.408
  116    H    ARG  19           HN       ARG  19  16.351  54.107  84.038
  117    HA   ARG  19           HA       ARG  19  16.501  56.302  82.218
  118   1HB   ARG  19           HB2      ARG  19  18.174  54.115  83.033
  119   2HB   ARG  19           HB1      ARG  19  18.192  54.232  81.273
  120   1HG   ARG  19           HG2      ARG  19  18.875  56.528  81.342
  121   2HG   ARG  19           HG1      ARG  19  18.574  56.630  83.077
  122   1HD   ARG  19           HD2      ARG  19  20.902  56.353  82.980
  123   2HD   ARG  19           HD1      ARG  19  20.330  54.707  83.250
  124    HE   ARG  19           HE       ARG  19  20.784  55.573  80.446
  125   1HH1  ARG  19          HH11      ARG  19  20.571  52.868  80.304
  126   2HH1  ARG  19          HH12      ARG  19  22.111  52.195  80.721
  127   1HH2  ARG  19          HH21      ARG  19  23.258  55.087  82.254
  128   2HH2  ARG  19          HH22      ARG  19  23.632  53.451  81.825
  129    H    LEU  20           HN       LEU  20  14.953  53.204  81.889
  130    HA   LEU  20           HA       LEU  20  14.937  53.509  78.937
  131   1HB   LEU  20           HB2      LEU  20  13.803  51.250  78.980
  132   2HB   LEU  20           HB1      LEU  20  15.442  51.274  79.625
  133    HG   LEU  20           HG       LEU  20  13.193  51.718  81.540
  134   1HD1  LEU  20          HD12      LEU  20  12.810  49.682  79.872
  135   2HD1  LEU  20          HD11      LEU  20  13.989  48.906  80.930
  136   3HD1  LEU  20          HD13      LEU  20  12.477  49.523  81.597
  137   1HD2  LEU  20          HD21      LEU  20  15.867  51.563  81.840
  138   2HD2  LEU  20          HD23      LEU  20  14.746  51.025  83.092
  139   3HD2  LEU  20          HD22      LEU  20  15.470  49.853  81.991
  140    H    THR  21           HN       THR  21  12.612  53.372  81.658
  141    HA   THR  21           HA       THR  21  10.415  53.963  79.771
  142    HB   THR  21           HB       THR  21   9.256  54.062  82.228
  143    HG1  THR  21           HG1      THR  21  10.450  53.123  83.662
  144   1HG2  THR  21          HG22      THR  21   9.557  52.161  80.085
  145   2HG2  THR  21          HG21      THR  21   9.483  51.308  81.626
  146   3HG2  THR  21          HG23      THR  21   8.182  52.403  81.160
  147    H    GLY  22           HN       GLY  22  11.439  55.358  82.900
  148   1HA   GLY  22           HA2      GLY  22  12.088  57.793  82.928
  149   2HA   GLY  22           HA1      GLY  22  10.780  58.055  81.770
  150    H    GLU  23           HN       GLU  23  11.397  57.015  85.156
  151    HA   GLU  23           HA       GLU  23   9.209  58.526  86.210
  152   1HB   GLU  23           HB2      GLU  23   8.449  56.072  84.976
  153   2HB   GLU  23           HB1      GLU  23   8.346  55.817  86.717
  154   1HG   GLU  23           HG2      GLU  23   6.259  56.735  86.386
  155   2HG   GLU  23           HG1      GLU  23   7.172  58.233  86.589
  156    H    CYS  24           HN       CYS  24   9.040  58.106  88.614
  157    HA   CYS  24           HA       CYS  24  11.492  57.715  89.881
  158   1HB   CYS  24           HB2      CYS  24   8.656  57.588  90.733
  159   2HB   CYS  24           HB1      CYS  24   9.805  56.774  91.798
  160    H    LEU  25           HN       LEU  25  12.798  55.979  89.888
  161    HA   LEU  25           HA       LEU  25  11.554  53.259  89.803
  162   1HB   LEU  25           HB2      LEU  25  12.607  54.039  87.669
  163   2HB   LEU  25           HB1      LEU  25  14.149  54.139  88.503
  164    HG   LEU  25           HG       LEU  25  13.345  52.029  87.098
  165   1HD1  LEU  25          HD12      LEU  25  15.279  52.552  89.156
  166   2HD1  LEU  25          HD11      LEU  25  14.768  50.865  89.220
  167   3HD1  LEU  25          HD13      LEU  25  15.426  51.532  87.725
  168   1HD2  LEU  25          HD22      LEU  25  11.391  51.583  88.544
  169   2HD2  LEU  25          HD21      LEU  25  12.541  50.246  88.592
  170   3HD2  LEU  25          HD23      LEU  25  12.468  51.396  89.928
  171    H    LYS  26           HN       LYS  26  12.559  54.910  92.126
  172    HA   LYS  26           HA       LYS  26  14.136  52.772  93.371
  173   1HB   LYS  26           HB2      LYS  26  15.342  55.457  92.725
  174   2HB   LYS  26           HB1      LYS  26  15.936  54.481  94.065
  175   1HG   LYS  26           HG2      LYS  26  15.850  52.603  92.106
  176   2HG   LYS  26           HG1      LYS  26  16.206  54.041  91.148
  177   1HD   LYS  26           HD2      LYS  26  18.105  54.559  92.644
  178   2HD   LYS  26           HD1      LYS  26  17.757  53.105  93.580
  179   1HE   LYS  26           HE2      LYS  26  18.527  51.689  91.929
  180   2HE   LYS  26           HE1      LYS  26  18.103  52.803  90.628
  181   1HZ   LYS  26           HZ3      LYS  26  20.075  53.897  92.377
  182   2HZ   LYS  26           HZ2      LYS  26  20.593  52.429  91.697
  183   3HZ   LYS  26           HZ1      LYS  26  20.113  53.712  90.692
  184    H    CYS  27           HN       CYS  27  11.774  53.288  94.361
  185    HA   CYS  27           HA       CYS  27  11.334  55.550  95.989
  186   1HB   CYS  27           HB2      CYS  27  10.489  52.704  96.605
  187   2HB   CYS  27           HB1      CYS  27   9.708  54.184  97.159
  188    H    ILE  28           HN       ILE  28  11.729  55.922  98.253
  189    HA   ILE  28           HA       ILE  28  13.993  54.286  99.298
  190    HB   ILE  28           HB       ILE  28  14.037  56.572 100.825
  191   1HG1  ILE  28          HG12      ILE  28  14.216  58.254  98.793
  192   2HG1  ILE  28          HG11      ILE  28  12.974  57.221  98.120
  193   1HG2  ILE  28          HG23      ILE  28  15.483  55.859  98.264
  194   2HG2  ILE  28          HG22      ILE  28  15.950  57.217  99.288
  195   3HG2  ILE  28          HG21      ILE  28  16.024  55.572  99.917
  196   1HD1  ILE  28          HD12      ILE  28  12.651  58.095 100.937
  197   2HD1  ILE  28          HD11      ILE  28  12.417  59.314  99.683
  198   3HD1  ILE  28          HD13      ILE  28  11.428  57.856  99.691
  199    H    TYR  29           HN       TYR  29  11.488  56.336 100.737
  200    HA   TYR  29           HA       TYR  29  11.513  55.154 103.291
  201   1HB   TYR  29           HB2      TYR  29   9.312  56.617 101.831
  202   2HB   TYR  29           HB1      TYR  29   9.194  56.137 103.523
  203    HD1  TYR  29           HD2      TYR  29  11.825  56.579 104.620
  204    HD2  TYR  29           HD1      TYR  29   9.664  58.915 101.736
  205    HE1  TYR  29           HE2      TYR  29  13.143  58.582 105.250
  206    HE2  TYR  29           HE1      TYR  29  10.979  60.917 102.364
  207    HH   TYR  29           HH       TYR  29  13.584  61.103 103.564
  208    H    ASN  30           HN       ASN  30  11.581  52.849 102.780
  209    HA   ASN  30           HA       ASN  30  10.584  50.746 102.174
  210   1HB   ASN  30           HB2      ASN  30   8.978  51.899 104.470
  211   2HB   ASN  30           HB1      ASN  30   9.008  50.193 104.024
  212   1HD2  ASN  30          HD22      ASN  30  11.605  50.202 106.531
  213   2HD2  ASN  30          HD21      ASN  30   9.928  50.015 106.343
  214    H    THR  31           HN       THR  31   9.601  52.290 100.194
  215    HA   THR  31           HA       THR  31   6.672  51.679 100.288
  216    HB   THR  31           HB       THR  31   6.381  53.539  98.640
  217    HG1  THR  31           HG1      THR  31   9.014  54.220  99.421
  218   1HG2  THR  31          HG23      THR  31   6.858  53.665 101.447
  219   2HG2  THR  31          HG22      THR  31   7.527  55.125 100.717
  220   3HG2  THR  31          HG21      THR  31   5.831  54.712 100.469
  221    H    ALA  32           HN       ALA  32   5.757  50.702  98.493
  222    HA   ALA  32           HA       ALA  32   7.722  49.724  96.461
  223   1HB   ALA  32           HB1      ALA  32   6.304  48.183  98.192
  224   2HB   ALA  32           HB3      ALA  32   5.173  48.255  96.841
  225   3HB   ALA  32           HB2      ALA  32   6.805  47.633  96.593
  226    H    GLY  33           HN       GLY  33   6.026  48.755  94.556
  227   1HA   GLY  33           HA2      GLY  33   4.277  49.358  93.028
  228   2HA   GLY  33           HA1      GLY  33   4.068  50.876  93.897
  229    H    PHE  34           HN       PHE  34   4.506  50.371  90.997
  230    HA   PHE  34           HA       PHE  34   7.104  50.980  90.138
  231   1HB   PHE  34           HB2      PHE  34   5.013  50.473  88.717
  232   2HB   PHE  34           HB1      PHE  34   4.627  52.183  88.865
  233    HD1  PHE  34           HD1      PHE  34   8.120  50.949  88.668
  234    HD2  PHE  34           HD2      PHE  34   4.839  52.661  86.480
  235    HE1  PHE  34           HE1      PHE  34   9.639  51.454  86.786
  236    HE2  PHE  34           HE2      PHE  34   6.368  53.167  84.600
  237    HZ   PHE  34           HZ       PHE  34   8.766  52.562  84.750
  238    H    TYR  35           HN       TYR  35   4.742  53.109  91.674
  239    HA   TYR  35           HA       TYR  35   6.756  55.312  91.451
  240   1HB   TYR  35           HB2      TYR  35   3.869  55.976  91.813
  241   2HB   TYR  35           HB1      TYR  35   5.130  56.880  90.978
  242    HD1  TYR  35           HD2      TYR  35   5.875  56.180  88.701
  243    HD2  TYR  35           HD1      TYR  35   2.545  54.328  90.684
  244    HE1  TYR  35           HE2      TYR  35   5.117  55.228  86.541
  245    HE2  TYR  35           HE1      TYR  35   1.787  53.377  88.525
  246    HH   TYR  35           HH       TYR  35   2.046  53.511  86.267
  247    H    CYS  36           HN       CYS  36   6.587  53.375  93.597
  248    HA   CYS  36           HA       CYS  36   6.420  53.300  95.947
  249   1HB   CYS  36           HB2      CYS  36   6.435  56.291  96.073
  250   2HB   CYS  36           HB1      CYS  36   7.372  55.128  97.007
  251    H    ASP  37           HN       ASP  37   3.991  52.971  94.870
  252    HA   ASP  37           HA       ASP  37   2.152  54.982  96.051
  253   1HB   ASP  37           HB2      ASP  37   1.770  52.676  94.138
  254   2HB   ASP  37           HB1      ASP  37   0.408  53.534  94.861
  255    H    ARG  38           HN       ARG  38   3.599  52.049  96.961
  256    HA   ARG  38           HA       ARG  38   1.419  51.616  98.943
  257   1HB   ARG  38           HB2      ARG  38   2.617  49.736  97.001
  258   2HB   ARG  38           HB1      ARG  38   2.489  49.116  98.647
  259   1HG   ARG  38           HG2      ARG  38   0.231  48.968  98.530
  260   2HG   ARG  38           HG1      ARG  38   0.087  50.555  97.773
  261   1HD   ARG  38           HD2      ARG  38  -0.144  49.631  95.733
  262   2HD   ARG  38           HD1      ARG  38   1.324  48.677  95.949
  263    HE   ARG  38           HE       ARG  38  -0.474  47.267  97.441
  264   1HH1  ARG  38          HH21      ARG  38   0.450  47.068  94.362
  265   2HH1  ARG  38          HH22      ARG  38  -1.064  46.568  93.685
  266   1HH2  ARG  38          HH11      ARG  38  -2.887  47.295  96.542
  267   2HH2  ARG  38          HH12      ARG  38  -2.952  46.691  94.921
  268    H    CYS  39           HN       CYS  39   2.488  49.847 100.568
  269    HA   CYS  39           HA       CYS  39   5.146  50.952 101.378
  270   1HB   CYS  39           HB2      CYS  39   3.177  49.831 103.367
  271   2HB   CYS  39           HB1      CYS  39   4.460  51.002 103.640
  272    H    LYS  40           HN       LYS  40   6.732  49.348 101.808
  273    HA   LYS  40           HA       LYS  40   6.345  46.703 100.901
  274   1HB   LYS  40           HB2      LYS  40   8.590  47.347 101.105
  275   2HB   LYS  40           HB1      LYS  40   8.347  48.035 102.708
  276   1HG   LYS  40           HG2      LYS  40   7.987  45.710 103.587
  277   2HG   LYS  40           HG1      LYS  40   8.421  45.090 101.993
  278   1HD   LYS  40           HD2      LYS  40  10.506  46.768 102.429
  279   2HD   LYS  40           HD1      LYS  40  10.141  46.294 104.088
  280   1HE   LYS  40           HE2      LYS  40  10.518  44.325 101.818
  281   2HE   LYS  40           HE1      LYS  40  11.797  44.783 102.942
  282   1HZ   LYS  40           HZ1      LYS  40   9.876  44.175 104.652
  283   2HZ   LYS  40           HZ3      LYS  40   9.434  43.141 103.383
  284   3HZ   LYS  40           HZ2      LYS  40  10.984  43.024 104.069
  285    H    GLU  41           HN       GLU  41   5.964  44.736 102.047
  286    HA   GLU  41           HA       GLU  41   3.989  44.823 104.085
  287   1HB   GLU  41           HB2      GLU  41   4.240  42.440 104.236
  288   2HB   GLU  41           HB1      GLU  41   4.501  42.872 102.545
  289   1HG   GLU  41           HG2      GLU  41   7.013  43.031 103.218
  290   2HG   GLU  41           HG1      GLU  41   6.532  42.078 104.621
  291    H    GLY  42           HN       GLY  42   4.148  45.002 106.296
  292   1HA   GLY  42           HA2      GLY  42   5.490  44.265 108.326
  293   2HA   GLY  42           HA1      GLY  42   6.902  44.901 107.466
  294    H    PHE  43           HN       PHE  43   5.562  47.114 106.278
  295    HA   PHE  43           HA       PHE  43   4.869  48.716 108.683
  296   1HB   PHE  43           HB2      PHE  43   6.144  50.016 106.320
  297   2HB   PHE  43           HB1      PHE  43   6.133  50.497 108.018
  298    HD1  PHE  43           HD2      PHE  43   7.334  47.716 105.798
  299    HD2  PHE  43           HD1      PHE  43   8.046  50.076 109.317
  300    HE1  PHE  43           HE2      PHE  43   9.514  46.579 106.119
  301    HE2  PHE  43           HE1      PHE  43  10.226  48.938 109.637
  302    HZ   PHE  43           HZ       PHE  43  10.961  47.190 108.038
  303    H    PHE  44           HN       PHE  44   3.034  49.696 108.526
  304    HA   PHE  44           HA       PHE  44   1.674  49.888 105.867
  305   1HB   PHE  44           HB2      PHE  44   0.023  50.128 108.320
  306   2HB   PHE  44           HB1      PHE  44  -0.314  49.271 106.818
  307    HD1  PHE  44           HD2      PHE  44   0.838  47.046 106.386
  308    HD2  PHE  44           HD1      PHE  44   0.907  48.997 110.212
  309    HE1  PHE  44           HE2      PHE  44   1.483  44.909 107.466
  310    HE2  PHE  44           HE1      PHE  44   1.551  46.859 111.291
  311    HZ   PHE  44           HZ       PHE  44   1.840  44.815 109.918
  312    H    GLY  45           HN       GLY  45  -0.042  51.779 105.939
  313   1HA   GLY  45           HA2      GLY  45  -0.347  53.982 107.300
  314   2HA   GLY  45           HA1      GLY  45   1.388  54.148 107.060
  315    H    ASN  46           HN       ASN  46   1.215  56.034 105.811
  316    HA   ASN  46           HA       ASN  46  -0.145  55.687 103.163
  317   1HB   ASN  46           HB2      ASN  46   0.248  58.069 104.950
  318   2HB   ASN  46           HB1      ASN  46   0.069  58.305 103.211
  319   1HD2  ASN  46          HD22      ASN  46  -3.244  57.852 105.306
  320   2HD2  ASN  46          HD21      ASN  46  -1.763  58.422 105.909
  321    HA   PRO  47           HA       PRO  47   4.200  55.865 101.944
  322   1HB   PRO  47           HB2      PRO  47   3.787  54.662  99.515
  323   2HB   PRO  47           HB1      PRO  47   3.958  53.756 101.027
  324   1HG   PRO  47           HG2      PRO  47   1.491  54.310  99.442
  325   2HG   PRO  47           HG1      PRO  47   1.847  52.952 100.517
  326   1HD   PRO  47           HD2      PRO  47   0.248  55.195 101.159
  327   2HD   PRO  47           HD1      PRO  47   0.891  54.011 102.316
  328    H    LEU  48           HN       LEU  48   1.347  57.221 100.594
  329    HA   LEU  48           HA       LEU  48   2.940  58.854  98.662
  330   1HB   LEU  48           HB2      LEU  48   0.767  59.326  97.575
  331   2HB   LEU  48           HB1      LEU  48   1.078  57.592  97.658
  332    HG   LEU  48           HG       LEU  48  -0.255  58.508 100.064
  333   1HD1  LEU  48          HD13      LEU  48  -1.434  59.250  97.394
  334   2HD1  LEU  48          HD12      LEU  48  -2.484  58.830  98.747
  335   3HD1  LEU  48          HD11      LEU  48  -1.378  60.198  98.880
  336   1HD2  LEU  48          HD23      LEU  48  -0.985  56.576  97.841
  337   2HD2  LEU  48          HD22      LEU  48  -0.159  56.174  99.346
  338   3HD2  LEU  48          HD21      LEU  48  -1.840  56.703  99.378
  339    H    ALA  49           HN       ALA  49   2.969  59.469 101.473
  340    HA   ALA  49           HA       ALA  49   1.179  61.840 101.650
  341   1HB   ALA  49           HB2      ALA  49   2.829  60.380 103.730
  342   2HB   ALA  49           HB1      ALA  49   1.952  61.876 104.055
  343   3HB   ALA  49           HB3      ALA  49   1.070  60.418 103.599
  344    HA   PRO  50           HA       PRO  50   4.603  64.506 100.879
  345   1HB   PRO  50           HB2      PRO  50   3.615  66.781 102.069
  346   2HB   PRO  50           HB1      PRO  50   3.067  66.184 100.492
  347   1HG   PRO  50           HG2      PRO  50   1.691  66.036 103.141
  348   2HG   PRO  50           HG1      PRO  50   0.990  66.107 101.515
  349   1HD   PRO  50           HD2      PRO  50   1.224  63.780 103.078
  350   2HD   PRO  50           HD1      PRO  50   0.938  63.823 101.324
  351    H    ASN  51           HN       ASN  51   3.380  63.936 104.098
  352    HA   ASN  51           HA       ASN  51   5.835  65.084 105.311
  353   1HB   ASN  51           HB2      ASN  51   3.208  64.136 106.468
  354   2HB   ASN  51           HB1      ASN  51   4.594  64.547 107.478
  355   1HD2  ASN  51          HD22      ASN  51   2.895  67.599 105.286
  356   2HD2  ASN  51          HD21      ASN  51   2.899  66.029 104.641
  357    HA   PRO  52           HA       PRO  52   7.443  60.954 105.548
  358   1HB   PRO  52           HB2      PRO  52   9.569  61.534 107.199
  359   2HB   PRO  52           HB1      PRO  52   9.548  61.879 105.460
  360   1HG   PRO  52           HG2      PRO  52   9.237  63.766 107.754
  361   2HG   PRO  52           HG1      PRO  52   9.874  64.067 106.129
  362   1HD   PRO  52           HD2      PRO  52   7.296  64.773 107.020
  363   2HD   PRO  52           HD1      PRO  52   7.819  64.682 105.323
  364    H    ALA  53           HN       ALA  53   6.412  62.856 108.306
  365    HA   ALA  53           HA       ALA  53   6.809  60.752 110.278
  366   1HB   ALA  53           HB3      ALA  53   6.501  63.337 110.632
  367   2HB   ALA  53           HB2      ALA  53   4.781  62.954 110.583
  368   3HB   ALA  53           HB1      ALA  53   5.813  62.218 111.809
  369    H    ASP  54           HN       ASP  54   4.315  61.631 107.997
  370    HA   ASP  54           HA       ASP  54   2.497  59.570 109.169
  371   1HB   ASP  54           HB2      ASP  54   2.077  62.039 107.536
  372   2HB   ASP  54           HB1      ASP  54   0.955  60.698 107.299
  373    H    LYS  55           HN       LYS  55   4.836  58.790 107.683
  374    HA   LYS  55           HA       LYS  55   3.866  58.076 104.991
  375   1HB   LYS  55           HB2      LYS  55   6.306  58.759 105.778
  376   2HB   LYS  55           HB1      LYS  55   6.434  57.036 106.125
  377   1HG   LYS  55           HG2      LYS  55   6.603  56.530 103.932
  378   2HG   LYS  55           HG1      LYS  55   5.183  57.501 103.541
  379   1HD   LYS  55           HD2      LYS  55   7.431  59.197 104.246
  380   2HD   LYS  55           HD1      LYS  55   7.849  58.116 102.917
  381   1HE   LYS  55           HE2      LYS  55   5.546  60.073 103.050
  382   2HE   LYS  55           HE1      LYS  55   6.891  60.064 101.910
  383   1HZ   LYS  55           HZ3      LYS  55   5.930  57.661 101.456
  384   2HZ   LYS  55           HZ2      LYS  55   4.492  58.404 101.974
  385   3HZ   LYS  55           HZ1      LYS  55   5.346  59.032 100.645
  386    H    CYS  56           HN       CYS  56   5.496  55.507 105.161
  387    HA   CYS  56           HA       CYS  56   3.331  53.874 106.387
  388   1HB   CYS  56           HB2      CYS  56   5.530  53.046 104.472
  389   2HB   CYS  56           HB1      CYS  56   4.213  52.026 105.045
  390    H    LYS  57           HN       LYS  57   3.834  53.478 108.508
  391    HA   LYS  57           HA       LYS  57   6.575  52.410 109.053
  392   1HB   LYS  57           HB2      LYS  57   4.959  54.461 110.504
  393   2HB   LYS  57           HB1      LYS  57   5.923  53.347 111.475
  394   1HG   LYS  57           HG2      LYS  57   7.070  54.874 109.127
  395   2HG   LYS  57           HG1      LYS  57   7.105  55.497 110.777
  396   1HD   LYS  57           HD2      LYS  57   8.041  52.707 110.478
  397   2HD   LYS  57           HD1      LYS  57   9.062  53.924 109.709
  398   1HE   LYS  57           HE2      LYS  57   8.089  54.490 112.474
  399   2HE   LYS  57           HE1      LYS  57   9.359  53.282 112.287
  400   1HZ   LYS  57           HZ1      LYS  57   9.458  56.031 111.171
  401   2HZ   LYS  57           HZ3      LYS  57  10.232  55.538 112.597
  402   3HZ   LYS  57           HZ2      LYS  57  10.697  54.871 111.106
  403    H    ALA  58           HN       ALA  58   6.487  51.093 111.227
  404    HA   ALA  58           HA       ALA  58   4.335  49.117 110.894
  405   1HB   ALA  58           HB3      ALA  58   6.674  48.391 111.303
  406   2HB   ALA  58           HB2      ALA  58   6.634  49.190 112.874
  407   3HB   ALA  58           HB1      ALA  58   5.582  47.809 112.560
   
  No H/Q in entry =         407
  Start of MODEL   12
    1   1H    ARG   1           HT1      ARG   1  10.196  61.598  80.054
    2   2H    ARG   1           HT3      ARG   1  10.568  63.222  79.737
    3   3H    ARG   1           HT2      ARG   1  11.136  62.005  78.698
    4    HA   ARG   1           HA       ARG   1  13.015  62.372  79.897
    5   1HB   ARG   1           HB2      ARG   1  12.575  62.616  82.556
    6   2HB   ARG   1           HB1      ARG   1  12.612  63.994  81.460
    7   1HG   ARG   1           HG2      ARG   1   9.974  62.729  81.544
    8   2HG   ARG   1           HG1      ARG   1  10.501  63.290  83.129
    9   1HD   ARG   1           HD2      ARG   1  10.802  65.068  80.721
   10   2HD   ARG   1           HD1      ARG   1   9.263  64.975  81.577
   11    HE   ARG   1           HE       ARG   1  11.206  65.398  83.554
   12   1HH1  ARG   1          HH21      ARG   1  10.918  66.918  80.523
   13   2HH1  ARG   1          HH22      ARG   1  10.892  68.526  81.163
   14   1HH2  ARG   1          HH11      ARG   1  10.794  67.497  84.470
   15   2HH2  ARG   1          HH12      ARG   1  10.822  68.854  83.394
   16    HA   PRO   2           HA       PRO   2  13.429  58.265  81.379
   17   1HB   PRO   2           HB2      PRO   2  15.625  58.488  83.018
   18   2HB   PRO   2           HB1      PRO   2  15.712  58.544  81.249
   19   1HG   PRO   2           HG2      PRO   2  15.955  60.776  83.212
   20   2HG   PRO   2           HG1      PRO   2  16.631  60.638  81.581
   21   1HD   PRO   2           HD2      PRO   2  14.344  62.136  82.306
   22   2HD   PRO   2           HD1      PRO   2  14.838  61.717  80.652
   23    H    CYS   3           HN       CYS   3  14.180  60.372  84.195
   24    HA   CYS   3           HA       CYS   3  12.895  58.478  86.017
   25   1HB   CYS   3           HB2      CYS   3  13.830  61.297  86.622
   26   2HB   CYS   3           HB1      CYS   3  13.590  59.980  87.770
   27    H    GLN   4           HN       GLN   4  11.278  59.551  87.681
   28    HA   GLN   4           HA       GLN   4   9.603  61.709  86.892
   29   1HB   GLN   4           HB2      GLN   4   9.097  60.201  84.968
   30   2HB   GLN   4           HB1      GLN   4   8.481  59.003  86.107
   31   1HG   GLN   4           HG2      GLN   4   6.499  60.077  85.658
   32   2HG   GLN   4           HG1      GLN   4   7.073  61.134  86.948
   33   1HE2  GLN   4          HE22      GLN   4   6.458  63.688  84.518
   34   2HE2  GLN   4          HE21      GLN   4   5.806  62.902  85.874
   35    H    CYS   5           HN       CYS   5   7.461  59.232  87.674
   36    HA   CYS   5           HA       CYS   5   6.184  59.607  89.795
   37   1HB   CYS   5           HB2      CYS   5   6.710  57.471  90.911
   38   2HB   CYS   5           HB1      CYS   5   6.616  57.284  89.161
   39    H    ASN   6           HN       ASN   6   6.869  61.541  90.869
   40    HA   ASN   6           HA       ASN   6   9.308  61.543  92.474
   41   1HB   ASN   6           HB2      ASN   6   6.939  63.441  92.493
   42   2HB   ASN   6           HB1      ASN   6   8.497  63.734  93.265
   43   1HD2  ASN   6          HD22      ASN   6   8.281  65.129  89.682
   44   2HD2  ASN   6          HD21      ASN   6   7.121  65.150  90.922
   45    H    ASP   7           HN       ASP   7   7.526  62.969  94.655
   46    HA   ASP   7           HA       ASP   7   6.412  62.364  96.621
   47   1HB   ASP   7           HB2      ASP   7   6.065  59.628  95.368
   48   2HB   ASP   7           HB1      ASP   7   5.166  60.297  96.726
   49    H    ASN   8           HN       ASN   8   7.780  59.144  95.889
   50    HA   ASN   8           HA       ASN   8   9.542  59.551  98.271
   51   1HB   ASN   8           HB2      ASN   8   8.724  56.839  97.260
   52   2HB   ASN   8           HB1      ASN   8   9.229  57.312  98.883
   53   1HD2  ASN   8          HD22      ASN   8   5.931  59.116  99.229
   54   2HD2  ASN   8          HD21      ASN   8   7.539  59.649  99.144
   55    H    ILE   9           HN       ILE   9  11.064  60.486  96.599
   56    HA   ILE   9           HA       ILE   9  12.917  58.373  95.743
   57    HB   ILE   9           HB       ILE   9  13.055  59.201  93.415
   58   1HG1  ILE   9          HG12      ILE   9  10.838  60.572  92.823
   59   2HG1  ILE   9          HG11      ILE   9  11.023  61.107  94.494
   60   1HG2  ILE   9          HG22      ILE   9  11.424  57.352  94.233
   61   2HG2  ILE   9          HG21      ILE   9  10.162  58.559  93.990
   62   3HG2  ILE   9          HG23      ILE   9  11.155  58.037  92.629
   63   1HD1  ILE   9          HD11      ILE   9  13.602  61.202  93.321
   64   2HD1  ILE   9          HD13      ILE   9  12.496  61.944  92.166
   65   3HD1  ILE   9          HD12      ILE   9  12.597  62.565  93.814
   66    H    ASP  10           HN       ASP  10  15.041  59.186  95.553
   67    HA   ASP  10           HA       ASP  10  15.346  62.000  96.494
   68   1HB   ASP  10           HB2      ASP  10  16.861  59.480  96.973
   69   2HB   ASP  10           HB1      ASP  10  17.789  60.980  96.919
   70    HA   PRO  11           HA       PRO  11  17.037  62.740  92.435
   71   1HB   PRO  11           HB2      PRO  11  17.694  65.369  92.887
   72   2HB   PRO  11           HB1      PRO  11  16.050  64.818  92.523
   73   1HG   PRO  11           HG2      PRO  11  17.210  65.677  95.137
   74   2HG   PRO  11           HG1      PRO  11  15.535  65.768  94.569
   75   1HD   PRO  11           HD2      PRO  11  16.547  63.834  96.350
   76   2HD   PRO  11           HD1      PRO  11  15.016  63.719  95.454
   77    H    ASN  12           HN       ASN  12  18.695  62.936  95.446
   78    HA   ASN  12           HA       ASN  12  21.281  63.712  94.328
   79   1HB   ASN  12           HB2      ASN  12  20.517  62.525  97.015
   80   2HB   ASN  12           HB1      ASN  12  22.135  63.089  96.596
   81   1HD2  ASN  12          HD22      ASN  12  20.683  66.538  96.145
   82   2HD2  ASN  12          HD21      ASN  12  21.394  65.423  95.081
   83    H    ALA  13           HN       ALA  13  20.461  60.719  96.122
   84    HA   ALA  13           HA       ALA  13  22.560  59.183  95.008
   85   1HB   ALA  13           HB3      ALA  13  20.019  58.598  96.432
   86   2HB   ALA  13           HB2      ALA  13  20.705  57.269  95.495
   87   3HB   ALA  13           HB1      ALA  13  21.656  58.032  96.770
   88    H    VAL  14           HN       VAL  14  22.313  57.349  93.423
   89    HA   VAL  14           HA       VAL  14  20.502  58.193  91.202
   90    HB   VAL  14           HB       VAL  14  22.948  56.419  90.992
   91   1HG1  VAL  14          HG12      VAL  14  20.864  57.251  89.192
   92   2HG1  VAL  14          HG11      VAL  14  22.395  57.942  88.657
   93   3HG1  VAL  14          HG13      VAL  14  22.240  56.198  88.866
   94   1HG2  VAL  14          HG23      VAL  14  22.705  59.323  91.337
   95   2HG2  VAL  14          HG22      VAL  14  24.136  58.299  91.443
   96   3HG2  VAL  14          HG21      VAL  14  23.579  58.876  89.873
   97    H    GLY  15           HN       GLY  15  19.340  56.526  90.060
   98   1HA   GLY  15           HA2      GLY  15  18.830  54.103  89.804
   99   2HA   GLY  15           HA1      GLY  15  19.174  53.925  91.527
  100    H    ASN  16           HN       ASN  16  17.737  56.485  92.162
  101    HA   ASN  16           HA       ASN  16  15.267  55.564  92.981
  102   1HB   ASN  16           HB2      ASN  16  15.637  58.339  91.826
  103   2HB   ASN  16           HB1      ASN  16  14.534  57.845  93.111
  104   1HD2  ASN  16          HD22      ASN  16  18.449  58.584  93.985
  105   2HD2  ASN  16          HD21      ASN  16  17.910  58.591  92.375
  106    H    CYS  17           HN       CYS  17  16.204  56.389  89.709
  107    HA   CYS  17           HA       CYS  17  13.448  55.620  88.842
  108   1HB   CYS  17           HB2      CYS  17  14.010  57.101  86.781
  109   2HB   CYS  17           HB1      CYS  17  13.530  57.903  88.276
  110    H    ASN  18           HN       ASN  18  13.382  54.304  86.910
  111    HA   ASN  18           HA       ASN  18  15.828  52.735  86.491
  112   1HB   ASN  18           HB2      ASN  18  13.345  52.388  84.822
  113   2HB   ASN  18           HB1      ASN  18  14.474  51.165  85.374
  114   1HD2  ASN  18          HD22      ASN  18  11.687  50.472  87.541
  115   2HD2  ASN  18          HD21      ASN  18  12.284  50.119  85.993
  116    H    ARG  19           HN       ARG  19  17.286  53.185  84.866
  117    HA   ARG  19           HA       ARG  19  16.933  55.476  83.183
  118   1HB   ARG  19           HB2      ARG  19  19.002  53.528  83.724
  119   2HB   ARG  19           HB1      ARG  19  18.887  53.838  81.991
  120   1HG   ARG  19           HG2      ARG  19  18.719  56.366  82.828
  121   2HG   ARG  19           HG1      ARG  19  19.598  55.709  84.210
  122   1HD   ARG  19           HD2      ARG  19  20.869  54.592  81.983
  123   2HD   ARG  19           HD1      ARG  19  20.557  56.264  81.519
  124    HE   ARG  19           HE       ARG  19  21.855  55.703  84.141
  125   1HH1  ARG  19          HH11      ARG  19  22.573  56.179  80.886
  126   2HH1  ARG  19          HH12      ARG  19  23.684  57.482  81.144
  127   1HH2  ARG  19          HH21      ARG  19  22.982  57.759  84.529
  128   2HH2  ARG  19          HH22      ARG  19  23.915  58.378  83.208
  129    H    LEU  20           HN       LEU  20  16.378  52.019  82.645
  130    HA   LEU  20           HA       LEU  20  15.684  52.592  79.812
  131   1HB   LEU  20           HB2      LEU  20  15.520  50.080  79.646
  132   2HB   LEU  20           HB1      LEU  20  17.116  50.682  80.098
  133    HG   LEU  20           HG       LEU  20  15.576  50.340  82.487
  134   1HD1  LEU  20          HD13      LEU  20  14.220  48.759  81.150
  135   2HD1  LEU  20          HD12      LEU  20  15.689  47.893  80.697
  136   3HD1  LEU  20          HD11      LEU  20  15.164  47.917  82.381
  137   1HD2  LEU  20          HD22      LEU  20  18.170  49.905  81.506
  138   2HD2  LEU  20          HD21      LEU  20  17.612  49.634  83.158
  139   3HD2  LEU  20          HD23      LEU  20  17.597  48.310  81.993
  140    H    THR  21           HN       THR  21  14.135  51.467  82.818
  141    HA   THR  21           HA       THR  21  11.595  51.001  81.396
  142    HB   THR  21           HB       THR  21  11.247  50.998  84.231
  143    HG1  THR  21           HG1      THR  21  13.510  49.552  83.323
  144   1HG2  THR  21          HG21      THR  21  11.408  48.921  82.051
  145   2HG2  THR  21          HG23      THR  21  11.102  48.473  83.730
  146   3HG2  THR  21          HG22      THR  21   9.977  49.532  82.880
  147    H    GLY  22           HN       GLY  22  13.129  53.568  83.210
  148   1HA   GLY  22           HA2      GLY  22  12.360  55.727  83.743
  149   2HA   GLY  22           HA1      GLY  22  11.139  55.485  82.490
  150    H    GLU  23           HN       GLU  23  11.845  54.436  85.865
  151    HA   GLU  23           HA       GLU  23   9.144  55.140  86.695
  152   1HB   GLU  23           HB2      GLU  23   8.147  53.059  86.734
  153   2HB   GLU  23           HB1      GLU  23   9.281  52.747  85.426
  154   1HG   GLU  23           HG2      GLU  23   9.878  50.966  86.710
  155   2HG   GLU  23           HG1      GLU  23  10.845  52.156  87.577
  156    H    CYS  24           HN       CYS  24   8.887  54.443  89.149
  157    HA   CYS  24           HA       CYS  24  11.255  55.270  90.545
  158   1HB   CYS  24           HB2      CYS  24   8.598  54.135  91.362
  159   2HB   CYS  24           HB1      CYS  24   9.890  54.245  92.556
  160    H    LEU  25           HN       LEU  25  13.042  53.936  90.261
  161    HA   LEU  25           HA       LEU  25  12.744  51.023  90.413
  162   1HB   LEU  25           HB2      LEU  25  14.545  52.660  89.133
  163   2HB   LEU  25           HB1      LEU  25  15.472  52.160  90.510
  164    HG   LEU  25           HG       LEU  25  14.665  50.692  88.114
  165   1HD1  LEU  25          HD11      LEU  25  16.969  51.173  89.510
  166   2HD1  LEU  25          HD13      LEU  25  16.601  49.516  89.991
  167   3HD1  LEU  25          HD12      LEU  25  16.784  49.919  88.283
  168   1HD2  LEU  25          HD23      LEU  25  14.202  49.466  90.833
  169   2HD2  LEU  25          HD22      LEU  25  13.125  49.470  89.436
  170   3HD2  LEU  25          HD21      LEU  25  14.585  48.481  89.420
  171    H    LYS  26           HN       LYS  26  13.684  53.651  92.531
  172    HA   LYS  26           HA       LYS  26  14.028  51.655  94.715
  173   1HB   LYS  26           HB2      LYS  26  16.184  53.001  93.511
  174   2HB   LYS  26           HB1      LYS  26  15.912  53.818  95.056
  175   1HG   LYS  26           HG2      LYS  26  17.002  52.120  96.030
  176   2HG   LYS  26           HG1      LYS  26  15.617  51.115  95.617
  177   1HD   LYS  26           HD2      LYS  26  16.733  50.874  93.297
  178   2HD   LYS  26           HD1      LYS  26  18.189  51.465  94.096
  179   1HE   LYS  26           HE2      LYS  26  16.570  49.050  94.962
  180   2HE   LYS  26           HE1      LYS  26  18.111  48.993  94.105
  181   1HZ   LYS  26           HZ1      LYS  26  19.128  50.185  95.957
  182   2HZ   LYS  26           HZ3      LYS  26  17.648  50.186  96.785
  183   3HZ   LYS  26           HZ2      LYS  26  18.442  48.717  96.467
  184    H    CYS  27           HN       CYS  27  11.795  52.612  95.294
  185    HA   CYS  27           HA       CYS  27  11.353  55.341  95.868
  186   1HB   CYS  27           HB2      CYS  27  10.307  52.884  97.324
  187   2HB   CYS  27           HB1      CYS  27   9.639  54.505  97.490
  188    H    ILE  28           HN       ILE  28  11.570  56.521  97.898
  189    HA   ILE  28           HA       ILE  28  13.935  55.626  99.414
  190    HB   ILE  28           HB       ILE  28  13.269  58.042 100.518
  191   1HG1  ILE  28          HG12      ILE  28  12.816  58.392  97.564
  192   2HG1  ILE  28          HG11      ILE  28  11.462  58.146  98.664
  193   1HG2  ILE  28          HG21      ILE  28  15.361  56.936  99.145
  194   2HG2  ILE  28          HG23      ILE  28  14.849  58.201  98.027
  195   3HG2  ILE  28          HG22      ILE  28  15.307  58.616  99.679
  196   1HD1  ILE  28          HD13      ILE  28  11.544  60.309  99.264
  197   2HD1  ILE  28          HD12      ILE  28  13.201  60.090  99.825
  198   3HD1  ILE  28          HD11      ILE  28  12.890  60.559  98.152
  199    H    TYR  29           HN       TYR  29  10.897  57.145 100.467
  200    HA   TYR  29           HA       TYR  29  11.217  56.196 103.166
  201   1HB   TYR  29           HB2      TYR  29   8.711  57.254 101.845
  202   2HB   TYR  29           HB1      TYR  29   9.033  57.172 103.576
  203    HD1  TYR  29           HD1      TYR  29  11.267  58.356 104.368
  204    HD2  TYR  29           HD2      TYR  29   9.209  59.232 100.702
  205    HE1  TYR  29           HE1      TYR  29  12.388  60.564 104.265
  206    HE2  TYR  29           HE2      TYR  29  10.332  61.440 100.598
  207    HH   TYR  29           HH       TYR  29  12.659  62.432 103.116
  208    H    ASN  30           HN       ASN  30  11.463  53.821 102.458
  209    HA   ASN  30           HA       ASN  30  10.548  51.669 102.030
  210   1HB   ASN  30           HB2      ASN  30   8.623  52.304 104.218
  211   2HB   ASN  30           HB1      ASN  30   9.714  50.930 104.044
  212   1HD2  ASN  30          HD22      ASN  30  12.569  53.105 105.087
  213   2HD2  ASN  30          HD21      ASN  30  12.193  52.197 103.704
  214    H    THR  31           HN       THR  31   9.390  53.070 100.065
  215    HA   THR  31           HA       THR  31   6.494  52.327 100.312
  216    HB   THR  31           HB       THR  31   6.148  54.142  98.529
  217    HG1  THR  31           HG1      THR  31   8.432  55.351  99.539
  218   1HG2  THR  31          HG21      THR  31   5.979  54.204 101.236
  219   2HG2  THR  31          HG23      THR  31   7.133  55.512 100.962
  220   3HG2  THR  31          HG22      THR  31   5.542  55.565 100.203
  221    H    ALA  32           HN       ALA  32   5.520  51.422  98.406
  222    HA   ALA  32           HA       ALA  32   7.513  50.473  96.378
  223   1HB   ALA  32           HB1      ALA  32   6.346  48.828  98.162
  224   2HB   ALA  32           HB3      ALA  32   5.091  48.827  96.923
  225   3HB   ALA  32           HB2      ALA  32   6.729  48.318  96.517
  226    H    GLY  33           HN       GLY  33   5.654  49.242  94.661
  227   1HA   GLY  33           HA2      GLY  33   3.812  49.727  93.208
  228   2HA   GLY  33           HA1      GLY  33   3.632  51.295  93.996
  229    H    PHE  34           HN       PHE  34   3.797  50.760  91.121
  230    HA   PHE  34           HA       PHE  34   6.305  51.246  89.972
  231   1HB   PHE  34           HB2      PHE  34   3.737  51.069  89.009
  232   2HB   PHE  34           HB1      PHE  34   4.061  52.781  88.765
  233    HD1  PHE  34           HD1      PHE  34   5.617  49.414  88.193
  234    HD2  PHE  34           HD2      PHE  34   5.202  53.463  86.816
  235    HE1  PHE  34           HE1      PHE  34   6.942  48.866  86.178
  236    HE2  PHE  34           HE2      PHE  34   6.530  52.910  84.804
  237    HZ   PHE  34           HZ       PHE  34   7.401  50.614  84.481
  238    H    TYR  35           HN       TYR  35   4.119  53.570  91.550
  239    HA   TYR  35           HA       TYR  35   6.252  55.636  91.156
  240   1HB   TYR  35           HB2      TYR  35   3.499  56.517  91.851
  241   2HB   TYR  35           HB1      TYR  35   4.678  57.257  90.771
  242    HD1  TYR  35           HD2      TYR  35   5.217  55.904  88.575
  243    HD2  TYR  35           HD1      TYR  35   1.669  55.391  90.941
  244    HE1  TYR  35           HE2      TYR  35   4.058  54.905  86.624
  245    HE2  TYR  35           HE1      TYR  35   0.513  54.389  88.990
  246    HH   TYR  35           HH       TYR  35   1.882  53.121  86.497
  247    H    CYS  36           HN       CYS  36   6.284  53.746  93.320
  248    HA   CYS  36           HA       CYS  36   6.362  53.684  95.674
  249   1HB   CYS  36           HB2      CYS  36   6.647  56.686  95.362
  250   2HB   CYS  36           HB1      CYS  36   7.213  55.700  96.709
  251    H    ASP  37           HN       ASP  37   3.729  53.988  94.399
  252    HA   ASP  37           HA       ASP  37   2.242  55.822  96.171
  253   1HB   ASP  37           HB2      ASP  37   1.834  54.895  93.584
  254   2HB   ASP  37           HB1      ASP  37   0.657  53.984  94.531
  255    H    ARG  38           HN       ARG  38   3.610  52.998  96.818
  256    HA   ARG  38           HA       ARG  38   1.319  52.111  98.489
  257   1HB   ARG  38           HB2      ARG  38   2.243  50.678  96.332
  258   2HB   ARG  38           HB1      ARG  38   3.176  49.983  97.658
  259   1HG   ARG  38           HG2      ARG  38   1.180  48.704  97.611
  260   2HG   ARG  38           HG1      ARG  38   0.936  49.852  98.927
  261   1HD   ARG  38           HD2      ARG  38  -0.934  50.561  97.895
  262   2HD   ARG  38           HD1      ARG  38   0.072  51.169  96.581
  263    HE   ARG  38           HE       ARG  38  -0.876  48.336  96.573
  264   1HH1  ARG  38          HH11      ARG  38   0.817  49.898  94.449
  265   2HH1  ARG  38          HH12      ARG  38  -0.389  50.122  93.227
  266   1HH2  ARG  38          HH21      ARG  38  -3.036  49.295  95.307
  267   2HH2  ARG  38          HH22      ARG  38  -2.571  49.783  93.712
  268    H    CYS  39           HN       CYS  39   2.456  50.271 100.005
  269    HA   CYS  39           HA       CYS  39   4.825  51.612 101.242
  270   1HB   CYS  39           HB2      CYS  39   2.392  50.300 102.472
  271   2HB   CYS  39           HB1      CYS  39   3.850  50.567 103.417
  272    H    LYS  40           HN       LYS  40   6.628  50.257 101.495
  273    HA   LYS  40           HA       LYS  40   6.725  47.708 100.282
  274   1HB   LYS  40           HB2      LYS  40   8.813  48.723 100.680
  275   2HB   LYS  40           HB1      LYS  40   8.420  49.082 102.358
  276   1HG   LYS  40           HG2      LYS  40   8.535  46.698 102.924
  277   2HG   LYS  40           HG1      LYS  40   8.871  46.300 101.238
  278   1HD   LYS  40           HD2      LYS  40  10.736  48.296 101.937
  279   2HD   LYS  40           HD1      LYS  40  10.706  47.172 103.295
  280   1HE   LYS  40           HE2      LYS  40  12.254  46.122 101.924
  281   2HE   LYS  40           HE1      LYS  40  10.768  45.356 101.364
  282   1HZ   LYS  40           HZ2      LYS  40  11.466  47.869 100.088
  283   2HZ   LYS  40           HZ1      LYS  40  12.495  46.561  99.747
  284   3HZ   LYS  40           HZ3      LYS  40  10.837  46.442  99.411
  285    H    GLU  41           HN       GLU  41   6.563  45.602 101.110
  286    HA   GLU  41           HA       GLU  41   4.609  45.110 103.113
  287   1HB   GLU  41           HB2      GLU  41   5.389  42.748 102.998
  288   2HB   GLU  41           HB1      GLU  41   5.147  43.448 101.397
  289   1HG   GLU  41           HG2      GLU  41   7.620  44.020 101.390
  290   2HG   GLU  41           HG1      GLU  41   7.772  43.038 102.847
  291    H    GLY  42           HN       GLY  42   4.766  45.037 105.321
  292   1HA   GLY  42           HA2      GLY  42   6.184  44.170 107.247
  293   2HA   GLY  42           HA1      GLY  42   7.520  45.056 106.495
  294    H    PHE  43           HN       PHE  43   5.960  47.265 105.606
  295    HA   PHE  43           HA       PHE  43   5.083  48.439 108.193
  296   1HB   PHE  43           HB2      PHE  43   6.374  50.108 106.056
  297   2HB   PHE  43           HB1      PHE  43   6.135  50.459 107.770
  298    HD1  PHE  43           HD1      PHE  43   8.002  48.265 105.393
  299    HD2  PHE  43           HD2      PHE  43   7.773  49.849 109.379
  300    HE1  PHE  43           HE1      PHE  43  10.241  47.325 105.897
  301    HE2  PHE  43           HE2      PHE  43  10.010  48.908 109.884
  302    HZ   PHE  43           HZ       PHE  43  11.245  47.646 108.142
  303    H    PHE  44           HN       PHE  44   3.168  49.267 108.105
  304    HA   PHE  44           HA       PHE  44   1.845  49.676 105.455
  305   1HB   PHE  44           HB2      PHE  44   0.133  49.556 107.867
  306   2HB   PHE  44           HB1      PHE  44  -0.086  48.790 106.295
  307    HD1  PHE  44           HD1      PHE  44   1.199  46.692 105.743
  308    HD2  PHE  44           HD2      PHE  44   1.142  48.388 109.689
  309    HE1  PHE  44           HE1      PHE  44   2.018  44.545 106.678
  310    HE2  PHE  44           HE2      PHE  44   1.960  46.241 110.624
  311    HZ   PHE  44           HZ       PHE  44   2.398  44.320 109.118
  312    H    GLY  45           HN       GLY  45   0.021  51.427 105.649
  313   1HA   GLY  45           HA2      GLY  45  -0.484  53.450 107.217
  314   2HA   GLY  45           HA1      GLY  45   1.241  53.760 107.051
  315    H    ASN  46           HN       ASN  46   1.045  55.705 105.969
  316    HA   ASN  46           HA       ASN  46  -0.262  55.587 103.272
  317   1HB   ASN  46           HB2      ASN  46   0.299  58.012 105.008
  318   2HB   ASN  46           HB1      ASN  46  -0.500  58.032 103.434
  319   1HD2  ASN  46          HD22      ASN  46  -3.635  57.045 104.726
  320   2HD2  ASN  46          HD21      ASN  46  -2.731  57.471 103.354
  321    HA   PRO  47           HA       PRO  47   4.101  55.899 102.247
  322   1HB   PRO  47           HB2      PRO  47   3.777  55.108  99.631
  323   2HB   PRO  47           HB1      PRO  47   3.899  53.981 100.992
  324   1HG   PRO  47           HG2      PRO  47   1.482  54.785  99.436
  325   2HG   PRO  47           HG1      PRO  47   1.805  53.279 100.307
  326   1HD   PRO  47           HD2      PRO  47   0.183  55.391 101.229
  327   2HD   PRO  47           HD1      PRO  47   0.813  54.057 102.220
  328    H    LEU  48           HN       LEU  48   1.414  57.675 101.180
  329    HA   LEU  48           HA       LEU  48   3.221  59.556  99.708
  330   1HB   LEU  48           HB2      LEU  48   0.887  58.279  98.767
  331   2HB   LEU  48           HB1      LEU  48   0.432  59.956  99.068
  332    HG   LEU  48           HG       LEU  48   1.274  59.829  96.808
  333   1HD1  LEU  48          HD11      LEU  48   2.430  61.429  98.827
  334   2HD1  LEU  48          HD13      LEU  48   3.766  60.904  97.804
  335   3HD1  LEU  48          HD12      LEU  48   2.396  61.759  97.095
  336   1HD2  LEU  48          HD23      LEU  48   3.709  58.506  98.051
  337   2HD2  LEU  48          HD22      LEU  48   2.520  57.724  97.009
  338   3HD2  LEU  48          HD21      LEU  48   3.571  58.981  96.358
  339    H    ALA  49           HN       ALA  49   2.896  59.688 102.533
  340    HA   ALA  49           HA       ALA  49   0.895  61.814 103.021
  341   1HB   ALA  49           HB3      ALA  49   2.002  59.770 104.609
  342   2HB   ALA  49           HB2      ALA  49   2.679  61.269 105.249
  343   3HB   ALA  49           HB1      ALA  49   0.931  61.062 105.152
  344    HA   PRO  50           HA       PRO  50   3.842  65.048 102.666
  345   1HB   PRO  50           HB2      PRO  50   2.762  66.857 104.435
  346   2HB   PRO  50           HB1      PRO  50   2.086  66.536 102.828
  347   1HG   PRO  50           HG2      PRO  50   1.088  65.644 105.500
  348   2HG   PRO  50           HG1      PRO  50   0.182  65.951 104.007
  349   1HD   PRO  50           HD2      PRO  50   0.892  63.408 104.982
  350   2HD   PRO  50           HD1      PRO  50   0.369  63.771 103.322
  351    H    ASN  51           HN       ASN  51   3.133  63.600 105.746
  352    HA   ASN  51           HA       ASN  51   5.572  64.800 106.957
  353   1HB   ASN  51           HB2      ASN  51   3.536  63.010 108.302
  354   2HB   ASN  51           HB1      ASN  51   4.725  64.056 109.076
  355   1HD2  ASN  51          HD22      ASN  51   1.176  65.617 107.870
  356   2HD2  ASN  51          HD21      ASN  51   1.533  63.971 107.657
  357    HA   PRO  52           HA       PRO  52   7.659  60.984 106.060
  358   1HB   PRO  52           HB2      PRO  52   9.916  61.503 107.544
  359   2HB   PRO  52           HB1      PRO  52   9.610  62.188 105.938
  360   1HG   PRO  52           HG2      PRO  52   9.421  63.504 108.611
  361   2HG   PRO  52           HG1      PRO  52   9.782  64.213 107.027
  362   1HD   PRO  52           HD2      PRO  52   7.296  64.360 108.345
  363   2HD   PRO  52           HD1      PRO  52   7.578  64.691 106.622
  364    H    ALA  53           HN       ALA  53   6.797  62.100 109.260
  365    HA   ALA  53           HA       ALA  53   7.547  59.498 110.475
  366   1HB   ALA  53           HB2      ALA  53   7.780  61.935 111.522
  367   2HB   ALA  53           HB1      ALA  53   6.107  61.637 111.993
  368   3HB   ALA  53           HB3      ALA  53   7.383  60.545 112.534
  369    H    ASP  54           HN       ASP  54   5.136  60.294 108.559
  370    HA   ASP  54           HA       ASP  54   3.159  58.691 110.119
  371   1HB   ASP  54           HB2      ASP  54   2.764  61.351 108.779
  372   2HB   ASP  54           HB1      ASP  54   1.419  60.217 108.883
  373    H    LYS  55           HN       LYS  55   5.034  58.019 107.894
  374    HA   LYS  55           HA       LYS  55   3.110  57.594 105.680
  375   1HB   LYS  55           HB2      LYS  55   6.107  57.234 105.817
  376   2HB   LYS  55           HB1      LYS  55   5.137  56.809 104.405
  377   1HG   LYS  55           HG2      LYS  55   4.394  59.070 104.121
  378   2HG   LYS  55           HG1      LYS  55   5.090  59.555 105.668
  379   1HD   LYS  55           HD2      LYS  55   7.296  59.405 104.865
  380   2HD   LYS  55           HD1      LYS  55   6.829  58.378 103.509
  381   1HE   LYS  55           HE2      LYS  55   5.794  61.201 103.760
  382   2HE   LYS  55           HE1      LYS  55   7.348  60.860 102.998
  383   1HZ   LYS  55           HZ3      LYS  55   5.373  59.086 102.031
  384   2HZ   LYS  55           HZ2      LYS  55   4.841  60.689 101.846
  385   3HZ   LYS  55           HZ1      LYS  55   6.321  60.198 101.170
  386    H    CYS  56           HN       CYS  56   5.465  55.166 105.502
  387    HA   CYS  56           HA       CYS  56   3.464  53.203 106.487
  388   1HB   CYS  56           HB2      CYS  56   5.966  52.442 105.012
  389   2HB   CYS  56           HB1      CYS  56   4.387  51.659 104.999
  390    H    LYS  57           HN       LYS  57   3.823  52.822 108.647
  391    HA   LYS  57           HA       LYS  57   6.646  52.462 109.546
  392   1HB   LYS  57           HB2      LYS  57   4.139  52.831 111.217
  393   2HB   LYS  57           HB1      LYS  57   5.801  52.812 111.810
  394   1HG   LYS  57           HG2      LYS  57   5.954  55.019 111.415
  395   2HG   LYS  57           HG1      LYS  57   5.679  54.718 109.699
  396   1HD   LYS  57           HD2      LYS  57   3.424  55.203 109.831
  397   2HD   LYS  57           HD1      LYS  57   3.306  54.684 111.513
  398   1HE   LYS  57           HE2      LYS  57   4.819  56.727 112.029
  399   2HE   LYS  57           HE1      LYS  57   4.362  57.287 110.421
  400   1HZ   LYS  57           HZ1      LYS  57   2.002  56.922 111.141
  401   2HZ   LYS  57           HZ3      LYS  57   2.583  56.720 112.721
  402   3HZ   LYS  57           HZ2      LYS  57   2.810  58.199 111.916
  403    H    ALA  58           HN       ALA  58   6.834  50.699 111.321
  404    HA   ALA  58           HA       ALA  58   5.704  48.230 110.202
  405   1HB   ALA  58           HB1      ALA  58   7.701  48.845 112.379
  406   2HB   ALA  58           HB3      ALA  58   7.070  47.214 112.153
  407   3HB   ALA  58           HB2      ALA  58   7.965  48.001 110.854
   
  No H/Q in entry =         407
  Start of MODEL   13
    1   1H    ARG   1           HT1      ARG   1  13.245  69.934  83.447
    2   2H    ARG   1           HT3      ARG   1  13.109  70.970  84.784
    3   3H    ARG   1           HT2      ARG   1  14.489  69.997  84.602
    4    HA   ARG   1           HA       ARG   1  13.384  68.731  86.107
    5   1HB   ARG   1           HB2      ARG   1  11.131  70.311  85.109
    6   2HB   ARG   1           HB1      ARG   1  10.685  68.640  85.456
    7   1HG   ARG   1           HG2      ARG   1  11.917  68.943  87.690
    8   2HG   ARG   1           HG1      ARG   1  11.901  70.670  87.335
    9   1HD   ARG   1           HD2      ARG   1   9.370  70.401  86.963
   10   2HD   ARG   1           HD1      ARG   1   9.541  68.831  87.746
   11    HE   ARG   1           HE       ARG   1  10.772  70.777  89.414
   12   1HH1  ARG   1          HH21      ARG   1   8.302  68.742  89.633
   13   2HH1  ARG   1          HH22      ARG   1   7.154  69.819  90.355
   14   1HH2  ARG   1          HH11      ARG   1   9.030  72.667  89.731
   15   2HH2  ARG   1          HH12      ARG   1   7.566  72.040  90.412
   16    HA   PRO   2           HA       PRO   2  13.390  65.819  82.588
   17   1HB   PRO   2           HB2      PRO   2  15.335  64.205  83.674
   18   2HB   PRO   2           HB1      PRO   2  15.688  65.630  82.679
   19   1HG   PRO   2           HG2      PRO   2  15.951  65.291  85.629
   20   2HG   PRO   2           HG1      PRO   2  16.823  66.385  84.543
   21   1HD   PRO   2           HD2      PRO   2  14.672  67.097  86.246
   22   2HD   PRO   2           HD1      PRO   2  15.342  68.091  84.934
   23    H    CYS   3           HN       CYS   3  14.312  64.248  85.647
   24    HA   CYS   3           HA       CYS   3  12.253  62.224  85.337
   25   1HB   CYS   3           HB2      CYS   3  14.444  61.797  86.461
   26   2HB   CYS   3           HB1      CYS   3  13.947  62.872  87.768
   27    H    GLN   4           HN       GLN   4  10.390  61.945  86.716
   28    HA   GLN   4           HA       GLN   4   9.726  64.058  88.634
   29   1HB   GLN   4           HB2      GLN   4   7.611  64.678  87.435
   30   2HB   GLN   4           HB1      GLN   4   9.072  65.182  86.586
   31   1HG   GLN   4           HG2      GLN   4   8.653  62.622  85.619
   32   2HG   GLN   4           HG1      GLN   4   7.015  63.262  85.768
   33   1HE2  GLN   4          HE22      GLN   4   7.356  65.270  82.907
   34   2HE2  GLN   4          HE21      GLN   4   6.331  64.470  83.997
   35    H    CYS   5           HN       CYS   5   9.039  62.781  90.267
   36    HA   CYS   5           HA       CYS   5   6.622  61.217  89.971
   37   1HB   CYS   5           HB2      CYS   5   7.607  59.040  90.686
   38   2HB   CYS   5           HB1      CYS   5   8.160  59.535  89.089
   39    H    ASN   6           HN       ASN   6   6.126  60.121  92.177
   40    HA   ASN   6           HA       ASN   6   6.013  61.925  94.243
   41   1HB   ASN   6           HB2      ASN   6   6.586  58.978  94.676
   42   2HB   ASN   6           HB1      ASN   6   5.753  60.068  95.786
   43   1HD2  ASN   6          HD22      ASN   6   2.796  60.236  93.635
   44   2HD2  ASN   6          HD21      ASN   6   3.785  61.274  94.542
   45    H    ASP   7           HN       ASP   7   7.352  62.518  96.025
   46    HA   ASP   7           HA       ASP   7  10.220  62.347  95.455
   47   1HB   ASP   7           HB2      ASP   7   8.801  64.301  96.550
   48   2HB   ASP   7           HB1      ASP   7   9.172  63.432  98.039
   49    H    ASN   8           HN       ASN   8  10.066  59.846  95.713
   50    HA   ASN   8           HA       ASN   8  10.852  59.218  98.516
   51   1HB   ASN   8           HB2      ASN   8   8.975  57.508  96.852
   52   2HB   ASN   8           HB1      ASN   8   9.564  57.134  98.472
   53   1HD2  ASN   8          HD22      ASN   8   6.767  58.766  99.838
   54   2HD2  ASN   8          HD21      ASN   8   7.763  57.391  99.816
   55    H    ILE   9           HN       ILE   9  12.871  59.577  97.026
   56    HA   ILE   9           HA       ILE   9  13.909  56.903  96.401
   57    HB   ILE   9           HB       ILE   9  14.175  57.090  94.140
   58   1HG1  ILE   9          HG12      ILE   9  15.623  59.096  94.289
   59   2HG1  ILE   9          HG11      ILE   9  14.513  59.189  92.924
   60   1HG2  ILE   9          HG22      ILE   9  11.928  59.072  94.598
   61   2HG2  ILE   9          HG21      ILE   9  12.247  58.220  93.089
   62   3HG2  ILE   9          HG23      ILE   9  11.762  57.318  94.525
   63   1HD1  ILE   9          HD12      ILE   9  13.663  60.347  95.550
   64   2HD1  ILE   9          HD11      ILE   9  14.795  61.255  94.550
   65   3HD1  ILE   9          HD13      ILE   9  13.204  60.829  93.919
   66    H    ASP  10           HN       ASP  10  16.367  57.428  95.499
   67    HA   ASP  10           HA       ASP  10  17.401  59.422  97.464
   68   1HB   ASP  10           HB2      ASP  10  18.622  56.945  96.241
   69   2HB   ASP  10           HB1      ASP  10  19.598  58.148  97.082
   70    HA   PRO  11           HA       PRO  11  18.348  61.684  93.690
   71   1HB   PRO  11           HB2      PRO  11  18.906  64.033  94.998
   72   2HB   PRO  11           HB1      PRO  11  17.266  63.495  94.601
   73   1HG   PRO  11           HG2      PRO  11  18.655  63.501  97.239
   74   2HG   PRO  11           HG1      PRO  11  16.923  63.607  96.884
   75   1HD   PRO  11           HD2      PRO  11  18.282  61.295  97.760
   76   2HD   PRO  11           HD1      PRO  11  16.653  61.337  97.051
   77    H    ASN  12           HN       ASN  12  20.322  60.805  96.304
   78    HA   ASN  12           HA       ASN  12  22.716  62.258  95.477
   79   1HB   ASN  12           HB2      ASN  12  22.010  60.263  97.567
   80   2HB   ASN  12           HB1      ASN  12  23.691  60.272  97.033
   81   1HD2  ASN  12          HD22      ASN  12  23.904  63.897  97.968
   82   2HD2  ASN  12          HD21      ASN  12  24.064  63.033  96.515
   83    H    ALA  13           HN       ALA  13  22.332  58.713  95.776
   84    HA   ALA  13           HA       ALA  13  24.327  58.126  93.837
   85   1HB   ALA  13           HB2      ALA  13  23.001  56.606  95.591
   86   2HB   ALA  13           HB1      ALA  13  22.022  56.252  94.167
   87   3HB   ALA  13           HB3      ALA  13  23.752  55.910  94.154
   88    H    VAL  14           HN       VAL  14  23.230  56.447  91.941
   89    HA   VAL  14           HA       VAL  14  21.369  58.230  90.421
   90    HB   VAL  14           HB       VAL  14  23.586  56.587  89.178
   91   1HG1  VAL  14          HG11      VAL  14  21.469  58.449  88.241
   92   2HG1  VAL  14          HG13      VAL  14  23.052  58.630  87.483
   93   3HG1  VAL  14          HG12      VAL  14  22.213  57.080  87.413
   94   1HG2  VAL  14          HG23      VAL  14  23.559  59.442  90.172
   95   2HG2  VAL  14          HG22      VAL  14  24.752  58.185  90.495
   96   3HG2  VAL  14          HG21      VAL  14  24.656  58.917  88.894
   97    H    GLY  15           HN       GLY  15  20.012  57.066  88.864
   98   1HA   GLY  15           HA2      GLY  15  19.197  54.953  87.920
   99   2HA   GLY  15           HA1      GLY  15  19.873  54.124  89.327
  100    H    ASN  16           HN       ASN  16  18.758  56.408  91.068
  101    HA   ASN  16           HA       ASN  16  16.443  55.136  92.010
  102   1HB   ASN  16           HB2      ASN  16  17.068  58.101  92.092
  103   2HB   ASN  16           HB1      ASN  16  15.918  57.259  93.134
  104   1HD2  ASN  16          HD22      ASN  16  19.928  56.871  93.827
  105   2HD2  ASN  16          HD21      ASN  16  19.380  57.613  92.403
  106    H    CYS  17           HN       CYS  17  16.771  56.972  89.106
  107    HA   CYS  17           HA       CYS  17  13.794  57.057  88.877
  108   1HB   CYS  17           HB2      CYS  17  14.802  59.320  88.959
  109   2HB   CYS  17           HB1      CYS  17  15.803  58.910  87.566
  110    H    ASN  18           HN       ASN  18  12.959  56.382  86.787
  111    HA   ASN  18           HA       ASN  18  14.662  54.475  85.386
  112   1HB   ASN  18           HB2      ASN  18  12.114  55.276  84.103
  113   2HB   ASN  18           HB1      ASN  18  12.728  53.669  84.455
  114   1HD2  ASN  18          HD22      ASN  18   9.788  54.591  86.697
  115   2HD2  ASN  18          HD21      ASN  18   9.999  54.736  85.022
  116    H    ARG  19           HN       ARG  19  15.952  54.954  83.667
  117    HA   ARG  19           HA       ARG  19  16.218  57.660  82.739
  118   1HB   ARG  19           HB2      ARG  19  17.444  55.029  82.072
  119   2HB   ARG  19           HB1      ARG  19  17.597  56.319  80.878
  120   1HG   ARG  19           HG2      ARG  19  18.263  57.760  83.003
  121   2HG   ARG  19           HG1      ARG  19  18.686  56.180  83.664
  122   1HD   ARG  19           HD2      ARG  19  19.796  56.004  81.178
  123   2HD   ARG  19           HD1      ARG  19  19.984  57.726  81.505
  124    HE   ARG  19           HE       ARG  19  20.871  55.850  83.619
  125   1HH1  ARG  19          HH21      ARG  19  21.687  58.735  83.511
  126   2HH1  ARG  19          HH22      ARG  19  23.289  58.634  82.864
  127   1HH2  ARG  19          HH11      ARG  19  22.900  55.388  81.705
  128   2HH2  ARG  19          HH12      ARG  19  23.976  56.739  81.837
  129    H    LEU  20           HN       LEU  20  14.667  54.790  81.251
  130    HA   LEU  20           HA       LEU  20  13.955  56.494  78.937
  131   1HB   LEU  20           HB2      LEU  20  14.346  53.644  79.332
  132   2HB   LEU  20           HB1      LEU  20  12.799  53.967  78.541
  133    HG   LEU  20           HG       LEU  20  15.122  55.538  77.569
  134   1HD1  LEU  20          HD11      LEU  20  15.532  52.839  77.952
  135   2HD1  LEU  20          HD13      LEU  20  14.917  52.892  76.300
  136   3HD1  LEU  20          HD12      LEU  20  16.351  53.821  76.737
  137   1HD2  LEU  20          HD21      LEU  20  12.487  54.729  76.729
  138   2HD2  LEU  20          HD23      LEU  20  13.566  55.908  75.983
  139   3HD2  LEU  20          HD22      LEU  20  13.668  54.209  75.527
  140    H    THR  21           HN       THR  21  12.391  55.140  81.803
  141    HA   THR  21           HA       THR  21   9.725  55.750  80.658
  142    HB   THR  21           HB       THR  21   9.371  55.104  83.336
  143    HG1  THR  21           HG1      THR  21  10.728  53.044  83.175
  144   1HG2  THR  21          HG22      THR  21   8.257  54.297  81.151
  145   2HG2  THR  21          HG21      THR  21   9.499  53.045  81.143
  146   3HG2  THR  21          HG23      THR  21   8.363  53.152  82.487
  147    H    GLY  22           HN       GLY  22  12.016  57.002  83.041
  148   1HA   GLY  22           HA2      GLY  22  12.085  59.130  84.046
  149   2HA   GLY  22           HA1      GLY  22  10.747  59.608  82.996
  150    H    GLU  23           HN       GLU  23  11.272  57.352  85.765
  151    HA   GLU  23           HA       GLU  23   9.090  58.621  87.254
  152   1HB   GLU  23           HB2      GLU  23   8.497  56.455  85.509
  153   2HB   GLU  23           HB1      GLU  23   8.452  55.811  87.149
  154   1HG   GLU  23           HG2      GLU  23   6.247  56.649  86.627
  155   2HG   GLU  23           HG1      GLU  23   6.980  57.754  87.792
  156    H    CYS  24           HN       CYS  24   8.950  57.672  89.470
  157    HA   CYS  24           HA       CYS  24  11.472  57.108  90.624
  158   1HB   CYS  24           HB2      CYS  24   8.629  56.635  91.517
  159   2HB   CYS  24           HB1      CYS  24   9.981  56.119  92.521
  160    H    LEU  25           HN       LEU  25  12.725  55.304  90.183
  161    HA   LEU  25           HA       LEU  25  11.342  52.773  89.462
  162   1HB   LEU  25           HB2      LEU  25  13.618  53.968  88.424
  163   2HB   LEU  25           HB1      LEU  25  14.287  52.753  89.454
  164    HG   LEU  25           HG       LEU  25  12.838  52.519  86.899
  165   1HD1  LEU  25          HD11      LEU  25  15.267  51.832  87.686
  166   2HD1  LEU  25          HD13      LEU  25  14.450  50.349  88.181
  167   3HD1  LEU  25          HD12      LEU  25  14.399  50.864  86.495
  168   1HD2  LEU  25          HD23      LEU  25  12.015  50.926  89.287
  169   2HD2  LEU  25          HD22      LEU  25  11.065  51.428  87.888
  170   3HD2  LEU  25          HD21      LEU  25  12.186  50.074  87.751
  171    H    LYS  26           HN       LYS  26  13.530  54.123  91.888
  172    HA   LYS  26           HA       LYS  26  13.289  51.548  93.404
  173   1HB   LYS  26           HB2      LYS  26  15.591  52.562  92.430
  174   2HB   LYS  26           HB1      LYS  26  15.551  53.364  94.004
  175   1HG   LYS  26           HG2      LYS  26  15.469  51.291  95.155
  176   2HG   LYS  26           HG1      LYS  26  15.095  50.413  93.675
  177   1HD   LYS  26           HD2      LYS  26  17.410  51.473  92.892
  178   2HD   LYS  26           HD1      LYS  26  17.713  51.472  94.630
  179   1HE   LYS  26           HE2      LYS  26  17.134  49.125  92.826
  180   2HE   LYS  26           HE1      LYS  26  18.496  49.358  93.922
  181   1HZ   LYS  26           HZ1      LYS  26  16.850  49.315  95.771
  182   2HZ   LYS  26           HZ3      LYS  26  15.666  48.848  94.648
  183   3HZ   LYS  26           HZ2      LYS  26  17.004  47.843  94.939
  184    H    CYS  27           HN       CYS  27  11.313  52.545  94.504
  185    HA   CYS  27           HA       CYS  27  11.309  55.016  95.841
  186   1HB   CYS  27           HB2      CYS  27  10.020  52.420  96.759
  187   2HB   CYS  27           HB1      CYS  27   9.538  54.037  97.265
  188    H    ILE  28           HN       ILE  28  11.726  55.520  98.153
  189    HA   ILE  28           HA       ILE  28  13.915  53.808  99.215
  190    HB   ILE  28           HB       ILE  28  14.031  56.146 100.680
  191   1HG1  ILE  28          HG12      ILE  28  14.224  57.783  98.643
  192   2HG1  ILE  28          HG11      ILE  28  13.066  56.695  97.913
  193   1HG2  ILE  28          HG22      ILE  28  15.487  54.940  98.380
  194   2HG2  ILE  28          HG21      ILE  28  15.845  56.626  98.750
  195   3HG2  ILE  28          HG23      ILE  28  16.085  55.385  99.979
  196   1HD1  ILE  28          HD11      ILE  28  12.435  57.535 100.657
  197   2HD1  ILE  28          HD13      ILE  28  12.393  58.814  99.446
  198   3HD1  ILE  28          HD12      ILE  28  11.376  57.386  99.255
  199    H    TYR  29           HN       TYR  29  11.498  55.934 100.719
  200    HA   TYR  29           HA       TYR  29  11.639  54.784 103.284
  201   1HB   TYR  29           HB2      TYR  29   9.282  56.163 101.976
  202   2HB   TYR  29           HB1      TYR  29   9.433  55.841 103.703
  203    HD1  TYR  29           HD1      TYR  29  11.899  56.567 104.655
  204    HD2  TYR  29           HD2      TYR  29   9.846  58.297 101.304
  205    HE1  TYR  29           HE1      TYR  29  13.252  58.634 104.887
  206    HE2  TYR  29           HE2      TYR  29  11.195  60.361 101.534
  207    HH   TYR  29           HH       TYR  29  13.708  60.793 102.636
  208    H    ASN  30           HN       ASN  30  11.677  52.487 102.827
  209    HA   ASN  30           HA       ASN  30  10.669  50.379 102.256
  210   1HB   ASN  30           HB2      ASN  30   9.254  51.565 104.653
  211   2HB   ASN  30           HB1      ASN  30   9.115  49.871 104.182
  212   1HD2  ASN  30          HD22      ASN  30  12.234  50.866 106.413
  213   2HD2  ASN  30          HD21      ASN  30  10.778  51.734 106.331
  214    H    THR  31           HN       THR  31   9.583  51.960 100.339
  215    HA   THR  31           HA       THR  31   6.672  51.287 100.532
  216    HB   THR  31           HB       THR  31   6.512  53.180  98.723
  217    HG1  THR  31           HG1      THR  31   8.984  53.275  99.030
  218   1HG2  THR  31          HG22      THR  31   6.885  53.610 101.691
  219   2HG2  THR  31          HG21      THR  31   6.265  54.851 100.603
  220   3HG2  THR  31          HG23      THR  31   5.374  53.346 100.824
  221    H    ALA  32           HN       ALA  32   5.652  50.501  98.613
  222    HA   ALA  32           HA       ALA  32   7.611  49.548  96.550
  223   1HB   ALA  32           HB3      ALA  32   5.140  48.144  97.609
  224   2HB   ALA  32           HB2      ALA  32   6.156  47.550  96.295
  225   3HB   ALA  32           HB1      ALA  32   6.813  47.685  97.927
  226    H    GLY  33           HN       GLY  33   6.276  48.826  94.491
  227   1HA   GLY  33           HA2      GLY  33   4.399  49.313  93.014
  228   2HA   GLY  33           HA1      GLY  33   4.071  50.763  93.964
  229    H    PHE  34           HN       PHE  34   4.511  50.575  91.062
  230    HA   PHE  34           HA       PHE  34   7.113  51.377  90.293
  231   1HB   PHE  34           HB2      PHE  34   4.916  50.885  88.875
  232   2HB   PHE  34           HB1      PHE  34   4.709  52.631  88.974
  233    HD1  PHE  34           HD2      PHE  34   7.575  50.260  88.400
  234    HD2  PHE  34           HD1      PHE  34   5.514  53.803  87.116
  235    HE1  PHE  34           HE2      PHE  34   9.225  50.561  86.580
  236    HE2  PHE  34           HE1      PHE  34   7.162  54.100  85.297
  237    HZ   PHE  34           HZ       PHE  34   9.019  52.481  85.027
  238    H    TYR  35           HN       TYR  35   4.499  53.274  91.775
  239    HA   TYR  35           HA       TYR  35   6.323  55.648  91.751
  240   1HB   TYR  35           HB2      TYR  35   3.298  55.594  91.996
  241   2HB   TYR  35           HB1      TYR  35   4.307  57.037  91.966
  242    HD1  TYR  35           HD1      TYR  35   3.485  53.989  89.955
  243    HD2  TYR  35           HD2      TYR  35   4.807  58.075  89.932
  244    HE1  TYR  35           HE1      TYR  35   3.367  54.014  87.480
  245    HE2  TYR  35           HE2      TYR  35   4.695  58.099  87.456
  246    HH   TYR  35           HH       TYR  35   4.088  56.974  85.634
  247    H    CYS  36           HN       CYS  36   5.987  53.290  93.703
  248    HA   CYS  36           HA       CYS  36   6.013  53.028  96.044
  249   1HB   CYS  36           HB2      CYS  36   6.024  55.999  96.430
  250   2HB   CYS  36           HB1      CYS  36   6.951  54.760  97.276
  251    H    ASP  37           HN       ASP  37   3.603  52.641  95.182
  252    HA   ASP  37           HA       ASP  37   1.706  54.643  96.220
  253   1HB   ASP  37           HB2      ASP  37   1.070  51.943  95.019
  254   2HB   ASP  37           HB1      ASP  37   0.006  53.344  95.148
  255    H    ARG  38           HN       ARG  38   3.113  51.617  97.314
  256    HA   ARG  38           HA       ARG  38   1.236  51.763  99.621
  257   1HB   ARG  38           HB2      ARG  38   1.976  49.408  97.905
  258   2HB   ARG  38           HB1      ARG  38   1.552  49.152  99.597
  259   1HG   ARG  38           HG2      ARG  38  -0.489  50.733  98.976
  260   2HG   ARG  38           HG1      ARG  38  -0.152  50.145  97.347
  261   1HD   ARG  38           HD2      ARG  38  -0.320  48.176  99.605
  262   2HD   ARG  38           HD1      ARG  38  -1.809  48.812  98.903
  263    HE   ARG  38           HE       ARG  38   0.168  47.103  97.506
  264   1HH1  ARG  38          HH21      ARG  38  -2.292  49.438  97.086
  265   2HH1  ARG  38          HH22      ARG  38  -3.081  48.590  95.798
  266   1HH2  ARG  38          HH11      ARG  38  -1.029  45.805  96.018
  267   2HH2  ARG  38          HH12      ARG  38  -2.366  46.536  95.195
  268    H    CYS  39           HN       CYS  39   2.263  49.978 101.271
  269    HA   CYS  39           HA       CYS  39   5.105  50.807 101.609
  270   1HB   CYS  39           HB2      CYS  39   3.151  49.908 103.769
  271   2HB   CYS  39           HB1      CYS  39   4.726  50.647 104.038
  272    H    LYS  40           HN       LYS  40   6.631  49.084 101.825
  273    HA   LYS  40           HA       LYS  40   5.951  46.532 100.841
  274   1HB   LYS  40           HB2      LYS  40   8.125  46.517 102.853
  275   2HB   LYS  40           HB1      LYS  40   8.130  45.946 101.189
  276   1HG   LYS  40           HG2      LYS  40   8.236  48.332 100.428
  277   2HG   LYS  40           HG1      LYS  40   8.386  48.820 102.118
  278   1HD   LYS  40           HD2      LYS  40  10.609  48.666 101.139
  279   2HD   LYS  40           HD1      LYS  40  10.402  47.376 102.326
  280   1HE   LYS  40           HE2      LYS  40  10.679  45.782 100.755
  281   2HE   LYS  40           HE1      LYS  40   9.482  46.536  99.701
  282   1HZ   LYS  40           HZ1      LYS  40  12.319  47.373  99.963
  283   2HZ   LYS  40           HZ3      LYS  40  11.669  46.484  98.673
  284   3HZ   LYS  40           HZ2      LYS  40  11.164  48.084  98.941
  285    H    GLU  41           HN       GLU  41   5.790  44.467 101.949
  286    HA   GLU  41           HA       GLU  41   3.920  44.431 104.088
  287   1HB   GLU  41           HB2      GLU  41   4.297  42.534 102.526
  288   2HB   GLU  41           HB1      GLU  41   5.871  42.253 103.272
  289   1HG   GLU  41           HG2      GLU  41   4.947  41.157 105.015
  290   2HG   GLU  41           HG1      GLU  41   3.751  42.429 105.266
  291    H    GLY  42           HN       GLY  42   4.257  44.854 106.234
  292   1HA   GLY  42           HA2      GLY  42   5.646  44.096 108.233
  293   2HA   GLY  42           HA1      GLY  42   7.052  44.576 107.271
  294    H    PHE  43           HN       PHE  43   5.624  46.821 106.057
  295    HA   PHE  43           HA       PHE  43   5.324  48.578 108.431
  296   1HB   PHE  43           HB2      PHE  43   6.448  49.655 105.874
  297   2HB   PHE  43           HB1      PHE  43   6.578  50.274 107.523
  298    HD1  PHE  43           HD2      PHE  43   7.847  48.733 109.233
  299    HD2  PHE  43           HD1      PHE  43   8.208  48.404 104.964
  300    HE1  PHE  43           HE2      PHE  43   9.990  47.517 109.508
  301    HE2  PHE  43           HE1      PHE  43  10.350  47.187 105.241
  302    HZ   PHE  43           HZ       PHE  43  11.242  46.744 107.512
  303    H    PHE  44           HN       PHE  44   3.533  49.635 108.421
  304    HA   PHE  44           HA       PHE  44   1.870  49.761 105.938
  305   1HB   PHE  44           HB2      PHE  44   0.699  50.337 108.630
  306   2HB   PHE  44           HB1      PHE  44  -0.035  49.545 107.236
  307    HD1  PHE  44           HD2      PHE  44   1.691  47.389 106.528
  308    HD2  PHE  44           HD1      PHE  44   0.760  48.880 110.447
  309    HE1  PHE  44           HE2      PHE  44   2.232  45.173 107.500
  310    HE2  PHE  44           HE1      PHE  44   1.301  46.665 111.419
  311    HZ   PHE  44           HZ       PHE  44   2.037  44.810 109.946
  312    H    GLY  45           HN       GLY  45   0.115  51.822 107.017
  313   1HA   GLY  45           HA2      GLY  45   0.438  54.137 107.892
  314   2HA   GLY  45           HA1      GLY  45   2.040  54.108 107.164
  315    H    ASN  46           HN       ASN  46   1.585  55.986 105.919
  316    HA   ASN  46           HA       ASN  46  -0.168  55.439 103.558
  317   1HB   ASN  46           HB2      ASN  46  -0.135  57.859 105.355
  318   2HB   ASN  46           HB1      ASN  46  -0.643  57.998 103.673
  319   1HD2  ASN  46          HD22      ASN  46  -3.574  55.913 104.174
  320   2HD2  ASN  46          HD21      ASN  46  -2.367  56.232 103.023
  321    HA   PRO  47           HA       PRO  47   3.824  56.781 101.920
  322   1HB   PRO  47           HB2      PRO  47   3.513  55.482  99.522
  323   2HB   PRO  47           HB1      PRO  47   4.118  54.695 100.988
  324   1HG   PRO  47           HG2      PRO  47   1.440  54.449  99.699
  325   2HG   PRO  47           HG1      PRO  47   2.305  53.289 100.722
  326   1HD   PRO  47           HD2      PRO  47   0.184  54.972 101.548
  327   2HD   PRO  47           HD1      PRO  47   1.268  54.055 102.617
  328    H    LEU  48           HN       LEU  48   0.676  57.599 101.294
  329    HA   LEU  48           HA       LEU  48   1.379  59.323  98.953
  330   1HB   LEU  48           HB2      LEU  48  -1.063  57.896  99.800
  331   2HB   LEU  48           HB1      LEU  48  -1.340  59.552  99.263
  332    HG   LEU  48           HG       LEU  48  -1.427  57.790  97.433
  333   1HD1  LEU  48          HD12      LEU  48  -0.922  60.278  97.136
  334   2HD1  LEU  48          HD11      LEU  48   0.779  59.821  97.041
  335   3HD1  LEU  48          HD13      LEU  48  -0.365  59.216  95.841
  336   1HD2  LEU  48          HD21      LEU  48   0.689  56.667  98.537
  337   2HD2  LEU  48          HD23      LEU  48   0.502  56.647  96.784
  338   3HD2  LEU  48          HD22      LEU  48   1.576  57.822  97.542
  339    H    ALA  49           HN       ALA  49   2.226  59.980 101.619
  340    HA   ALA  49           HA       ALA  49   0.438  62.283 102.268
  341   1HB   ALA  49           HB3      ALA  49   2.124  60.454 103.920
  342   2HB   ALA  49           HB2      ALA  49   1.977  62.129 104.450
  343   3HB   ALA  49           HB1      ALA  49   0.535  61.130 104.268
  344    HA   PRO  50           HA       PRO  50   3.693  64.929 100.951
  345   1HB   PRO  50           HB2      PRO  50   3.006  67.171 102.395
  346   2HB   PRO  50           HB1      PRO  50   2.147  66.643 100.938
  347   1HG   PRO  50           HG2      PRO  50   1.319  66.398 103.801
  348   2HG   PRO  50           HG1      PRO  50   0.313  66.563 102.352
  349   1HD   PRO  50           HD2      PRO  50   0.771  64.157 103.722
  350   2HD   PRO  50           HD1      PRO  50   0.177  64.291 102.052
  351    H    ASN  51           HN       ASN  51   3.068  64.404 104.368
  352    HA   ASN  51           HA       ASN  51   5.828  65.309 105.031
  353   1HB   ASN  51           HB2      ASN  51   5.120  65.299 107.345
  354   2HB   ASN  51           HB1      ASN  51   3.887  66.140 106.404
  355   1HD2  ASN  51          HD22      ASN  51   2.404  63.425 108.666
  356   2HD2  ASN  51          HD21      ASN  51   3.575  64.611 108.989
  357    HA   PRO  52           HA       PRO  52   7.063  61.066 105.202
  358   1HB   PRO  52           HB2      PRO  52   9.398  61.437 106.612
  359   2HB   PRO  52           HB1      PRO  52   9.223  61.784 104.882
  360   1HG   PRO  52           HG2      PRO  52   9.341  63.687 107.182
  361   2HG   PRO  52           HG1      PRO  52   9.828  63.928 105.494
  362   1HD   PRO  52           HD2      PRO  52   7.440  64.881 106.647
  363   2HD   PRO  52           HD1      PRO  52   7.765  64.738 104.905
  364    H    ALA  53           HN       ALA  53   6.271  63.000 107.960
  365    HA   ALA  53           HA       ALA  53   6.878  61.015 109.995
  366   1HB   ALA  53           HB3      ALA  53   6.464  63.598 110.229
  367   2HB   ALA  53           HB2      ALA  53   4.764  63.131 110.314
  368   3HB   ALA  53           HB1      ALA  53   5.909  62.517 111.507
  369    H    ASP  54           HN       ASP  54   4.359  61.458 107.691
  370    HA   ASP  54           HA       ASP  54   2.711  59.404 109.114
  371   1HB   ASP  54           HB2      ASP  54   1.973  61.825 107.523
  372   2HB   ASP  54           HB1      ASP  54   0.934  60.407 107.380
  373    H    LYS  55           HN       LYS  55   5.008  59.003 107.298
  374    HA   LYS  55           HA       LYS  55   3.816  58.021 104.791
  375   1HB   LYS  55           HB2      LYS  55   6.169  59.115 105.156
  376   2HB   LYS  55           HB1      LYS  55   6.649  57.497 105.663
  377   1HG   LYS  55           HG2      LYS  55   6.715  56.788 103.526
  378   2HG   LYS  55           HG1      LYS  55   5.075  57.373 103.234
  379   1HD   LYS  55           HD2      LYS  55   7.394  59.295 103.343
  380   2HD   LYS  55           HD1      LYS  55   7.016  58.424 101.855
  381   1HE   LYS  55           HE2      LYS  55   4.642  59.272 102.070
  382   2HE   LYS  55           HE1      LYS  55   5.201  60.299 103.393
  383   1HZ   LYS  55           HZ2      LYS  55   7.014  60.752 101.429
  384   2HZ   LYS  55           HZ1      LYS  55   5.561  60.605 100.562
  385   3HZ   LYS  55           HZ3      LYS  55   5.695  61.756 101.801
  386    H    CYS  56           HN       CYS  56   5.946  55.745 104.954
  387    HA   CYS  56           HA       CYS  56   4.097  53.830 106.215
  388   1HB   CYS  56           HB2      CYS  56   6.649  53.282 104.673
  389   2HB   CYS  56           HB1      CYS  56   5.410  52.106 105.109
  390    H    LYS  57           HN       LYS  57   5.058  52.122 107.658
  391    HA   LYS  57           HA       LYS  57   7.593  52.272 108.873
  392   1HB   LYS  57           HB2      LYS  57   5.647  54.269 109.848
  393   2HB   LYS  57           HB1      LYS  57   6.403  53.305 111.117
  394   1HG   LYS  57           HG2      LYS  57   8.286  54.228 109.054
  395   2HG   LYS  57           HG1      LYS  57   7.528  55.536 109.962
  396   1HD   LYS  57           HD2      LYS  57   8.511  54.919 111.944
  397   2HD   LYS  57           HD1      LYS  57   8.497  53.202 111.537
  398   1HE   LYS  57           HE2      LYS  57  10.783  53.766 111.428
  399   2HE   LYS  57           HE1      LYS  57  10.265  53.836 109.742
  400   1HZ   LYS  57           HZ1      LYS  57   9.822  56.270 110.182
  401   2HZ   LYS  57           HZ3      LYS  57  10.707  56.083 111.617
  402   3HZ   LYS  57           HZ2      LYS  57  11.454  55.801 110.116
  403    H    ALA  58           HN       ALA  58   7.080  51.567 111.484
  404    HA   ALA  58           HA       ALA  58   5.708  48.986 111.114
  405   1HB   ALA  58           HB1      ALA  58   7.649  50.143 113.007
  406   2HB   ALA  58           HB3      ALA  58   6.457  49.081 113.757
  407   3HB   ALA  58           HB2      ALA  58   7.478  48.478 112.450
   
  No H/Q in entry =         407
  Start of MODEL   14
    1   1H    ARG   1           HT3      ARG   1  12.039  66.306  79.522
    2   2H    ARG   1           HT2      ARG   1  13.563  66.891  79.996
    3   3H    ARG   1           HT1      ARG   1  13.349  66.222  78.450
    4    HA   ARG   1           HA       ARG   1  13.221  64.069  79.227
    5   1HB   ARG   1           HB2      ARG   1  15.191  65.748  80.749
    6   2HB   ARG   1           HB1      ARG   1  15.073  64.022  81.094
    7   1HG   ARG   1           HG2      ARG   1  15.107  64.525  78.229
    8   2HG   ARG   1           HG1      ARG   1  16.534  65.197  79.017
    9   1HD   ARG   1           HD2      ARG   1  16.557  62.863  80.262
   10   2HD   ARG   1           HD1      ARG   1  15.623  62.346  78.860
   11    HE   ARG   1           HE       ARG   1  17.689  63.536  77.616
   12   1HH1  ARG   1          HH21      ARG   1  19.815  63.666  79.252
   13   2HH1  ARG   1          HH22      ARG   1  20.418  62.060  79.498
   14   1HH2  ARG   1          HH11      ARG   1  17.507  60.517  78.421
   15   2HH2  ARG   1          HH12      ARG   1  19.113  60.279  79.026
   16    HA   PRO   2           HA       PRO   2  10.419  63.858  82.701
   17   1HB   PRO   2           HB2      PRO   2   9.962  61.152  82.510
   18   2HB   PRO   2           HB1      PRO   2   9.172  62.355  81.477
   19   1HG   PRO   2           HG2      PRO   2  11.397  60.476  80.808
   20   2HG   PRO   2           HG1      PRO   2  10.157  61.171  79.749
   21   1HD   PRO   2           HD2      PRO   2  12.826  62.052  79.928
   22   2HD   PRO   2           HD1      PRO   2  11.482  62.961  79.203
   23    H    CYS   3           HN       CYS   3  11.667  60.609  82.902
   24    HA   CYS   3           HA       CYS   3  12.781  59.534  84.661
   25   1HB   CYS   3           HB2      CYS   3  14.463  61.581  83.526
   26   2HB   CYS   3           HB1      CYS   3  14.825  61.399  85.243
   27    H    GLN   4           HN       GLN   4  13.732  62.727  85.834
   28    HA   GLN   4           HA       GLN   4  13.322  62.405  88.508
   29   1HB   GLN   4           HB2      GLN   4  13.431  64.652  86.728
   30   2HB   GLN   4           HB1      GLN   4  12.199  64.955  87.953
   31   1HG   GLN   4           HG2      GLN   4  14.263  63.831  89.418
   32   2HG   GLN   4           HG1      GLN   4  15.113  64.830  88.238
   33   1HE2  GLN   4          HE22      GLN   4  14.285  67.817  89.893
   34   2HE2  GLN   4          HE21      GLN   4  15.275  67.013  88.772
   35    H    CYS   5           HN       CYS   5  11.644  62.003  89.857
   36    HA   CYS   5           HA       CYS   5   8.903  62.794  89.104
   37   1HB   CYS   5           HB2      CYS   5   8.082  60.436  89.601
   38   2HB   CYS   5           HB1      CYS   5   8.957  60.621  88.082
   39    H    ASN   6           HN       ASN   6   8.441  63.934  90.933
   40    HA   ASN   6           HA       ASN   6   9.571  63.598  93.489
   41   1HB   ASN   6           HB2      ASN   6   6.934  64.741  92.570
   42   2HB   ASN   6           HB1      ASN   6   7.395  64.745  94.271
   43   1HD2  ASN   6          HD22      ASN   6   8.870  67.891  93.454
   44   2HD2  ASN   6          HD21      ASN   6   7.528  67.145  94.176
   45    H    ASP   7           HN       ASP   7   7.604  63.277  95.349
   46    HA   ASP   7           HA       ASP   7   5.922  61.780  96.198
   47   1HB   ASP   7           HB2      ASP   7   6.965  59.751  94.196
   48   2HB   ASP   7           HB1      ASP   7   5.567  59.572  95.253
   49    H    ASN   8           HN       ASN   8   7.991  59.080  95.504
   50    HA   ASN   8           HA       ASN   8   9.276  59.446  98.187
   51   1HB   ASN   8           HB2      ASN   8   8.621  56.786  96.901
   52   2HB   ASN   8           HB1      ASN   8   9.051  57.101  98.582
   53   1HD2  ASN   8          HD22      ASN   8   5.718  58.902  98.882
   54   2HD2  ASN   8          HD21      ASN   8   7.319  59.466  98.880
   55    H    ILE   9           HN       ILE   9  10.871  60.545  96.575
   56    HA   ILE   9           HA       ILE   9  12.881  58.471  95.859
   57    HB   ILE   9           HB       ILE   9  13.404  59.796  93.780
   58   1HG1  ILE   9          HG12      ILE   9  10.708  60.936  93.690
   59   2HG1  ILE   9          HG11      ILE   9  11.711  61.647  94.953
   60   1HG2  ILE   9          HG22      ILE   9  11.449  57.852  94.259
   61   2HG2  ILE   9          HG21      ILE   9  10.637  59.059  93.261
   62   3HG2  ILE   9          HG23      ILE   9  12.118  58.293  92.687
   63   1HD1  ILE   9          HD11      ILE   9  13.295  61.336  92.576
   64   2HD1  ILE   9          HD13      ILE   9  11.804  62.183  92.162
   65   3HD1  ILE   9          HD12      ILE   9  12.862  62.823  93.419
   66    H    ASP  10           HN       ASP  10  15.057  59.418  95.649
   67    HA   ASP  10           HA       ASP  10  15.365  61.768  97.457
   68   1HB   ASP  10           HB2      ASP  10  17.080  59.379  96.851
   69   2HB   ASP  10           HB1      ASP  10  17.827  60.856  97.458
   70    HA   PRO  11           HA       PRO  11  16.588  63.838  93.670
   71   1HB   PRO  11           HB2      PRO  11  16.820  66.312  94.831
   72   2HB   PRO  11           HB1      PRO  11  15.276  65.602  94.333
   73   1HG   PRO  11           HG2      PRO  11  16.403  65.916  97.077
   74   2HG   PRO  11           HG1      PRO  11  14.709  65.850  96.561
   75   1HD   PRO  11           HD2      PRO  11  16.143  63.729  97.737
   76   2HD   PRO  11           HD1      PRO  11  14.603  63.584  96.865
   77    H    ASN  12           HN       ASN  12  18.401  63.225  96.427
   78    HA   ASN  12           HA       ASN  12  20.698  64.914  95.802
   79   1HB   ASN  12           HB2      ASN  12  20.758  62.452  97.549
   80   2HB   ASN  12           HB1      ASN  12  21.756  63.901  97.667
   81   1HD2  ASN  12          HD22      ASN  12  19.319  65.764  99.471
   82   2HD2  ASN  12          HD21      ASN  12  20.768  65.848  98.591
   83    H    ALA  13           HN       ALA  13  20.531  61.326  95.974
   84    HA   ALA  13           HA       ALA  13  22.807  61.040  94.220
   85   1HB   ALA  13           HB1      ALA  13  20.866  59.220  95.542
   86   2HB   ALA  13           HB3      ALA  13  21.666  58.598  94.098
   87   3HB   ALA  13           HB2      ALA  13  22.627  59.134  95.477
   88    H    VAL  14           HN       VAL  14  22.583  59.638  92.162
   89    HA   VAL  14           HA       VAL  14  20.303  60.706  90.546
   90    HB   VAL  14           HB       VAL  14  23.012  59.741  89.579
   91   1HG1  VAL  14          HG11      VAL  14  20.611  61.022  88.271
   92   2HG1  VAL  14          HG13      VAL  14  22.218  61.142  87.553
   93   3HG1  VAL  14          HG12      VAL  14  21.473  59.560  87.791
   94   1HG2  VAL  14          HG21      VAL  14  21.951  62.505  90.213
   95   2HG2  VAL  14          HG23      VAL  14  23.398  61.729  90.858
   96   3HG2  VAL  14          HG22      VAL  14  23.348  62.238  89.171
   97    H    GLY  15           HN       GLY  15  19.597  59.183  88.743
   98   1HA   GLY  15           HA2      GLY  15  19.410  56.900  87.876
   99   2HA   GLY  15           HA1      GLY  15  20.115  56.329  89.395
  100    H    ASN  16           HN       ASN  16  17.900  58.731  90.200
  101    HA   ASN  16           HA       ASN  16  16.152  56.904  91.491
  102   1HB   ASN  16           HB2      ASN  16  16.187  59.827  90.974
  103   2HB   ASN  16           HB1      ASN  16  14.637  59.114  91.423
  104   1HD2  ASN  16          HD22      ASN  16  17.647  59.312  94.184
  105   2HD2  ASN  16          HD21      ASN  16  17.953  59.695  92.560
  106    H    CYS  17           HN       CYS  17  16.319  57.387  88.189
  107    HA   CYS  17           HA       CYS  17  13.444  56.616  87.930
  108   1HB   CYS  17           HB2      CYS  17  13.483  57.806  85.708
  109   2HB   CYS  17           HB1      CYS  17  13.674  58.884  87.091
  110    H    ASN  18           HN       ASN  18  13.020  55.205  86.023
  111    HA   ASN  18           HA       ASN  18  15.136  53.241  85.643
  112   1HB   ASN  18           HB2      ASN  18  12.882  53.261  83.697
  113   2HB   ASN  18           HB1      ASN  18  13.539  51.918  84.608
  114   1HD2  ASN  18          HD22      ASN  18  11.012  52.095  87.050
  115   2HD2  ASN  18          HD21      ASN  18  12.273  51.204  86.343
  116    H    ARG  19           HN       ARG  19  16.693  53.274  84.034
  117    HA   ARG  19           HA       ARG  19  17.152  55.583  82.476
  118   1HB   ARG  19           HB2      ARG  19  18.133  52.743  82.209
  119   2HB   ARG  19           HB1      ARG  19  18.701  54.042  81.158
  120   1HG   ARG  19           HG2      ARG  19  19.782  55.153  82.886
  121   2HG   ARG  19           HG1      ARG  19  18.726  54.474  84.123
  122   1HD   ARG  19           HD2      ARG  19  20.846  52.955  82.576
  123   2HD   ARG  19           HD1      ARG  19  20.964  53.464  84.259
  124    HE   ARG  19           HE       ARG  19  19.713  51.077  83.407
  125   1HH1  ARG  19          HH11      ARG  19  19.596  53.581  85.725
  126   2HH1  ARG  19          HH12      ARG  19  18.274  52.901  86.614
  127   1HH2  ARG  19          HH21      ARG  19  17.769  50.293  84.383
  128   2HH2  ARG  19          HH22      ARG  19  17.239  51.040  85.853
  129    H    LEU  20           HN       LEU  20  15.401  52.601  81.564
  130    HA   LEU  20           HA       LEU  20  15.060  53.748  78.844
  131   1HB   LEU  20           HB2      LEU  20  14.085  51.486  78.310
  132   2HB   LEU  20           HB1      LEU  20  15.769  51.460  78.830
  133    HG   LEU  20           HG       LEU  20  13.904  51.271  81.075
  134   1HD1  LEU  20          HD13      LEU  20  13.436  49.636  78.693
  135   2HD1  LEU  20          HD12      LEU  20  13.764  48.661  80.126
  136   3HD1  LEU  20          HD11      LEU  20  12.438  49.826  80.135
  137   1HD2  LEU  20          HD22      LEU  20  16.426  50.805  80.960
  138   2HD2  LEU  20          HD21      LEU  20  15.448  49.592  81.784
  139   3HD2  LEU  20          HD23      LEU  20  16.002  49.305  80.135
  140    H    THR  21           HN       THR  21  13.066  52.824  81.652
  141    HA   THR  21           HA       THR  21  10.593  53.350  80.159
  142    HB   THR  21           HB       THR  21   9.458  52.588  82.052
  143    HG1  THR  21           HG1      THR  21   9.974  53.253  83.970
  144   1HG2  THR  21          HG21      THR  21  11.087  50.893  81.150
  145   2HG2  THR  21          HG23      THR  21  12.202  51.363  82.433
  146   3HG2  THR  21          HG22      THR  21  10.647  50.637  82.839
  147    H    GLY  22           HN       GLY  22  12.619  55.067  82.508
  148   1HA   GLY  22           HA2      GLY  22  12.642  57.376  83.006
  149   2HA   GLY  22           HA1      GLY  22  11.446  57.609  81.727
  150    H    GLU  23           HN       GLU  23  11.644  56.129  85.002
  151    HA   GLU  23           HA       GLU  23   9.315  57.655  85.886
  152   1HB   GLU  23           HB2      GLU  23   8.539  55.558  84.491
  153   2HB   GLU  23           HB1      GLU  23   8.993  54.660  85.937
  154   1HG   GLU  23           HG2      GLU  23   6.567  55.348  85.859
  155   2HG   GLU  23           HG1      GLU  23   7.438  55.913  87.290
  156    H    CYS  24           HN       CYS  24   8.903  57.205  88.244
  157    HA   CYS  24           HA       CYS  24  11.210  57.093  89.814
  158   1HB   CYS  24           HB2      CYS  24   8.322  56.459  90.352
  159   2HB   CYS  24           HB1      CYS  24   9.514  56.096  91.599
  160    H    LEU  25           HN       LEU  25  12.672  55.489  90.034
  161    HA   LEU  25           HA       LEU  25  11.703  52.675  89.800
  162   1HB   LEU  25           HB2      LEU  25  12.872  53.215  87.801
  163   2HB   LEU  25           HB1      LEU  25  14.164  54.019  88.678
  164    HG   LEU  25           HG       LEU  25  15.009  51.977  89.469
  165   1HD1  LEU  25          HD13      LEU  25  12.259  51.089  89.017
  166   2HD1  LEU  25          HD12      LEU  25  13.439  49.926  88.416
  167   3HD1  LEU  25          HD11      LEU  25  13.473  50.419  90.108
  168   1HD2  LEU  25          HD22      LEU  25  14.090  51.732  86.608
  169   2HD2  LEU  25          HD21      LEU  25  15.652  52.308  87.193
  170   3HD2  LEU  25          HD23      LEU  25  15.226  50.604  87.347
  171    H    LYS  26           HN       LYS  26  12.542  54.639  92.127
  172    HA   LYS  26           HA       LYS  26  13.820  52.535  93.727
  173   1HB   LYS  26           HB2      LYS  26  15.265  55.173  93.518
  174   2HB   LYS  26           HB1      LYS  26  15.818  53.689  94.284
  175   1HG   LYS  26           HG2      LYS  26  15.832  52.574  92.059
  176   2HG   LYS  26           HG1      LYS  26  15.390  54.112  91.312
  177   1HD   LYS  26           HD2      LYS  26  17.850  53.672  91.244
  178   2HD   LYS  26           HD1      LYS  26  17.443  55.139  92.138
  179   1HE   LYS  26           HE2      LYS  26  18.204  54.291  94.096
  180   2HE   LYS  26           HE1      LYS  26  17.440  52.728  93.809
  181   1HZ   LYS  26           HZ1      LYS  26  19.926  53.629  92.466
  182   2HZ   LYS  26           HZ3      LYS  26  19.900  52.659  93.858
  183   3HZ   LYS  26           HZ2      LYS  26  19.232  52.079  92.407
  184    H    CYS  27           HN       CYS  27  11.606  53.016  94.768
  185    HA   CYS  27           HA       CYS  27  10.907  55.525  95.867
  186   1HB   CYS  27           HB2      CYS  27  10.317  52.861  97.174
  187   2HB   CYS  27           HB1      CYS  27   9.334  54.322  97.208
  188    H    ILE  28           HN       ILE  28  11.111  56.315  98.102
  189    HA   ILE  28           HA       ILE  28  13.582  55.288  99.416
  190    HB   ILE  28           HB       ILE  28  13.152  57.734 100.573
  191   1HG1  ILE  28          HG12      ILE  28  12.787  58.254  97.647
  192   2HG1  ILE  28          HG11      ILE  28  11.374  57.982  98.659
  193   1HG2  ILE  28          HG21      ILE  28  15.084  56.463  99.030
  194   2HG2  ILE  28          HG23      ILE  28  14.722  57.929  98.121
  195   3HG2  ILE  28          HG22      ILE  28  15.250  58.042  99.800
  196   1HD1  ILE  28          HD11      ILE  28  12.148  59.775 100.191
  197   2HD1  ILE  28          HD13      ILE  28  13.505  60.078  99.106
  198   3HD1  ILE  28          HD12      ILE  28  11.855  60.372  98.557
  199    H    TYR  29           HN       TYR  29  10.703  57.074 100.495
  200    HA   TYR  29           HA       TYR  29  10.912  56.205 103.207
  201   1HB   TYR  29           HB2      TYR  29   8.479  57.265 101.755
  202   2HB   TYR  29           HB1      TYR  29   8.686  57.184 103.504
  203    HD1  TYR  29           HD2      TYR  29  11.427  58.038 103.945
  204    HD2  TYR  29           HD1      TYR  29   8.539  59.513 101.130
  205    HE1  TYR  29           HE2      TYR  29  12.587  60.229 103.901
  206    HE2  TYR  29           HE1      TYR  29   9.697  61.703 101.086
  207    HH   TYR  29           HH       TYR  29  12.750  62.204 102.807
  208    H    ASN  30           HN       ASN  30  11.116  53.797 102.664
  209    HA   ASN  30           HA       ASN  30  10.175  51.640 102.377
  210   1HB   ASN  30           HB2      ASN  30   9.523  52.968 104.790
  211   2HB   ASN  30           HB1      ASN  30   8.087  52.064 104.305
  212   1HD2  ASN  30          HD22      ASN  30  11.552  49.948 105.018
  213   2HD2  ASN  30          HD21      ASN  30  11.667  51.555 104.484
  214    H    THR  31           HN       THR  31   9.123  52.950 100.248
  215    HA   THR  31           HA       THR  31   6.225  52.189 100.400
  216    HB   THR  31           HB       THR  31   5.646  53.915  98.864
  217    HG1  THR  31           HG1      THR  31   7.434  53.736  97.506
  218   1HG2  THR  31          HG21      THR  31   6.420  54.513 101.327
  219   2HG2  THR  31          HG23      THR  31   7.682  55.400 100.472
  220   3HG2  THR  31          HG22      THR  31   5.984  55.784 100.184
  221    H    ALA  32           HN       ALA  32   5.417  50.982  98.666
  222    HA   ALA  32           HA       ALA  32   7.483  50.089  96.683
  223   1HB   ALA  32           HB3      ALA  32   5.495  48.494  98.281
  224   2HB   ALA  32           HB2      ALA  32   6.101  47.885  96.741
  225   3HB   ALA  32           HB1      ALA  32   7.222  48.210  98.064
  226    H    GLY  33           HN       GLY  33   6.462  49.135  94.669
  227   1HA   GLY  33           HA2      GLY  33   4.300  48.990  93.369
  228   2HA   GLY  33           HA1      GLY  33   3.926  50.587  94.020
  229    H    PHE  34           HN       PHE  34   4.131  49.896  91.202
  230    HA   PHE  34           HA       PHE  34   6.602  50.588  90.018
  231   1HB   PHE  34           HB2      PHE  34   4.401  49.756  88.909
  232   2HB   PHE  34           HB1      PHE  34   3.939  51.455  88.859
  233    HD1  PHE  34           HD2      PHE  34   5.588  53.112  87.726
  234    HD2  PHE  34           HD1      PHE  34   5.786  48.846  87.224
  235    HE1  PHE  34           HE2      PHE  34   6.941  53.411  85.672
  236    HE2  PHE  34           HE1      PHE  34   7.133  49.151  85.169
  237    HZ   PHE  34           HZ       PHE  34   7.710  51.432  84.392
  238    H    TYR  35           HN       TYR  35   4.125  52.690  91.457
  239    HA   TYR  35           HA       TYR  35   5.831  55.041  90.741
  240   1HB   TYR  35           HB2      TYR  35   2.849  54.737  91.046
  241   2HB   TYR  35           HB1      TYR  35   3.612  56.310  91.271
  242    HD1  TYR  35           HD1      TYR  35   3.750  53.416  88.880
  243    HD2  TYR  35           HD2      TYR  35   3.802  57.680  89.398
  244    HE1  TYR  35           HE1      TYR  35   3.854  53.714  86.420
  245    HE2  TYR  35           HE2      TYR  35   3.906  57.978  86.939
  246    HH   TYR  35           HH       TYR  35   3.399  55.354  84.746
  247    H    CYS  36           HN       CYS  36   6.077  53.203  93.079
  248    HA   CYS  36           HA       CYS  36   6.311  53.328  95.417
  249   1HB   CYS  36           HB2      CYS  36   6.638  56.282  94.808
  250   2HB   CYS  36           HB1      CYS  36   7.252  55.422  96.220
  251    H    ASP  37           HN       ASP  37   3.617  53.318  94.604
  252    HA   ASP  37           HA       ASP  37   2.357  55.354  96.395
  253   1HB   ASP  37           HB2      ASP  37   0.321  55.022  95.152
  254   2HB   ASP  37           HB1      ASP  37   1.619  55.207  93.969
  255    H    ARG  38           HN       ARG  38   3.649  52.638  97.050
  256    HA   ARG  38           HA       ARG  38   1.321  51.588  98.572
  257   1HB   ARG  38           HB2      ARG  38   2.484  50.226  96.489
  258   2HB   ARG  38           HB1      ARG  38   3.411  49.626  97.864
  259   1HG   ARG  38           HG2      ARG  38   1.565  48.156  97.748
  260   2HG   ARG  38           HG1      ARG  38   1.113  49.297  99.015
  261   1HD   ARG  38           HD2      ARG  38  -0.797  49.549  97.813
  262   2HD   ARG  38           HD1      ARG  38   0.187  50.577  96.772
  263    HE   ARG  38           HE       ARG  38   0.558  48.542  95.340
  264   1HH1  ARG  38          HH11      ARG  38  -0.476  46.442  97.156
  265   2HH1  ARG  38          HH12      ARG  38  -2.089  46.193  96.575
  266   1HH2  ARG  38          HH21      ARG  38  -2.194  49.167  94.794
  267   2HH2  ARG  38          HH22      ARG  38  -3.061  47.735  95.239
  268    H    CYS  39           HN       CYS  39   2.379  49.956 100.267
  269    HA   CYS  39           HA       CYS  39   4.677  51.388 101.532
  270   1HB   CYS  39           HB2      CYS  39   2.035  50.490 102.585
  271   2HB   CYS  39           HB1      CYS  39   3.399  50.284 103.675
  272    H    LYS  40           HN       LYS  40   6.409  50.043 102.192
  273    HA   LYS  40           HA       LYS  40   6.662  47.455 101.103
  274   1HB   LYS  40           HB2      LYS  40   8.635  48.612 101.834
  275   2HB   LYS  40           HB1      LYS  40   8.017  48.742 103.480
  276   1HG   LYS  40           HG2      LYS  40   8.262  46.409 103.873
  277   2HG   LYS  40           HG1      LYS  40   8.494  46.070 102.159
  278   1HD   LYS  40           HD2      LYS  40  10.397  47.875 103.642
  279   2HD   LYS  40           HD1      LYS  40  10.594  46.123 103.685
  280   1HE   LYS  40           HE2      LYS  40  11.254  46.011 101.504
  281   2HE   LYS  40           HE1      LYS  40  10.138  47.279 100.997
  282   1HZ   LYS  40           HZ2      LYS  40  11.701  48.805 102.324
  283   2HZ   LYS  40           HZ1      LYS  40  12.826  47.541 102.173
  284   3HZ   LYS  40           HZ3      LYS  40  12.192  48.279 100.786
  285    H    GLU  41           HN       GLU  41   6.137  45.433 101.811
  286    HA   GLU  41           HA       GLU  41   4.036  45.058 103.693
  287   1HB   GLU  41           HB2      GLU  41   4.638  42.625 103.513
  288   2HB   GLU  41           HB1      GLU  41   4.425  43.419 101.952
  289   1HG   GLU  41           HG2      GLU  41   6.744  43.499 101.536
  290   2HG   GLU  41           HG1      GLU  41   7.146  43.254 103.235
  291    H    GLY  42           HN       GLY  42   4.086  44.852 105.911
  292   1HA   GLY  42           HA2      GLY  42   5.334  43.725 107.826
  293   2HA   GLY  42           HA1      GLY  42   6.782  44.511 107.173
  294    H    PHE  43           HN       PHE  43   5.441  46.899 106.368
  295    HA   PHE  43           HA       PHE  43   4.553  48.012 108.970
  296   1HB   PHE  43           HB2      PHE  43   6.250  49.604 107.063
  297   2HB   PHE  43           HB1      PHE  43   5.861  49.932 108.753
  298    HD1  PHE  43           HD1      PHE  43   6.492  47.763 110.336
  299    HD2  PHE  43           HD2      PHE  43   8.429  48.899 106.676
  300    HE1  PHE  43           HE1      PHE  43   8.532  46.538 111.038
  301    HE2  PHE  43           HE2      PHE  43  10.469  47.674 107.376
  302    HZ   PHE  43           HZ       PHE  43  10.521  46.493 109.556
  303    H    PHE  44           HN       PHE  44   2.788  49.146 108.785
  304    HA   PHE  44           HA       PHE  44   1.692  49.714 106.072
  305   1HB   PHE  44           HB2      PHE  44   0.034  49.864 108.568
  306   2HB   PHE  44           HB1      PHE  44  -0.451  49.415 106.933
  307    HD1  PHE  44           HD1      PHE  44   0.267  47.187 105.992
  308    HD2  PHE  44           HD2      PHE  44   0.807  48.221 110.126
  309    HE1  PHE  44           HE1      PHE  44   0.582  44.793 106.550
  310    HE2  PHE  44           HE2      PHE  44   1.124  45.825 110.684
  311    HZ   PHE  44           HZ       PHE  44   1.010  44.111 108.894
  312    H    GLY  45           HN       GLY  45   0.024  51.734 106.330
  313   1HA   GLY  45           HA2      GLY  45  -0.047  53.881 107.791
  314   2HA   GLY  45           HA1      GLY  45   1.694  53.905 107.522
  315    H    ASN  46           HN       ASN  46   1.737  55.816 106.352
  316    HA   ASN  46           HA       ASN  46   0.310  55.748 103.719
  317   1HB   ASN  46           HB2      ASN  46   1.075  58.121 105.441
  318   2HB   ASN  46           HB1      ASN  46   0.428  58.252 103.807
  319   1HD2  ASN  46          HD22      ASN  46  -2.879  57.214 104.773
  320   2HD2  ASN  46          HD21      ASN  46  -1.795  57.233 103.467
  321    HA   PRO  47           HA       PRO  47   4.622  55.639 102.432
  322   1HB   PRO  47           HB2      PRO  47   4.063  54.830  99.866
  323   2HB   PRO  47           HB1      PRO  47   4.142  53.721 101.246
  324   1HG   PRO  47           HG2      PRO  47   1.747  54.733  99.788
  325   2HG   PRO  47           HG1      PRO  47   1.952  53.230 100.702
  326   1HD   PRO  47           HD2      PRO  47   0.625  55.564 101.610
  327   2HD   PRO  47           HD1      PRO  47   1.109  54.177 102.609
  328    H    LEU  48           HN       LEU  48   1.929  57.269 100.827
  329    HA   LEU  48           HA       LEU  48   3.888  59.143  99.560
  330   1HB   LEU  48           HB2      LEU  48   1.791  57.761  98.392
  331   2HB   LEU  48           HB1      LEU  48   1.107  59.364  98.671
  332    HG   LEU  48           HG       LEU  48   3.662  58.710  97.179
  333   1HD1  LEU  48          HD11      LEU  48   0.961  58.945  96.371
  334   2HD1  LEU  48          HD13      LEU  48   1.765  60.422  95.839
  335   3HD1  LEU  48          HD12      LEU  48   2.384  58.850  95.332
  336   1HD2  LEU  48          HD22      LEU  48   2.609  61.235  98.382
  337   2HD2  LEU  48          HD21      LEU  48   4.278  60.710  98.158
  338   3HD2  LEU  48          HD23      LEU  48   3.361  61.342  96.791
  339    H    ALA  49           HN       ALA  49   3.318  59.521 102.296
  340    HA   ALA  49           HA       ALA  49   1.207  61.579 102.458
  341   1HB   ALA  49           HB2      ALA  49   1.787  59.836 104.290
  342   2HB   ALA  49           HB1      ALA  49   3.168  60.877 104.639
  343   3HB   ALA  49           HB3      ALA  49   1.527  61.504 104.799
  344    HA   PRO  50           HA       PRO  50   3.942  64.941 101.823
  345   1HB   PRO  50           HB2      PRO  50   2.683  66.847 103.368
  346   2HB   PRO  50           HB1      PRO  50   2.092  66.328 101.781
  347   1HG   PRO  50           HG2      PRO  50   1.055  65.621 104.495
  348   2HG   PRO  50           HG1      PRO  50   0.183  65.749 102.957
  349   1HD   PRO  50           HD2      PRO  50   0.974  63.340 104.154
  350   2HD   PRO  50           HD1      PRO  50   0.543  63.539 102.441
  351    H    ASN  51           HN       ASN  51   3.036  64.001 105.075
  352    HA   ASN  51           HA       ASN  51   5.547  65.199 106.144
  353   1HB   ASN  51           HB2      ASN  51   2.890  64.704 107.239
  354   2HB   ASN  51           HB1      ASN  51   4.159  64.044 108.272
  355   1HD2  ASN  51          HD22      ASN  51   4.213  68.102 107.542
  356   2HD2  ASN  51          HD21      ASN  51   3.601  67.060 106.350
  357    HA   PRO  52           HA       PRO  52   7.266  61.108 106.124
  358   1HB   PRO  52           HB2      PRO  52   9.412  61.644 107.768
  359   2HB   PRO  52           HB1      PRO  52   9.340  62.104 106.057
  360   1HG   PRO  52           HG2      PRO  52   9.034  63.819 108.479
  361   2HG   PRO  52           HG1      PRO  52   9.632  64.250 106.869
  362   1HD   PRO  52           HD2      PRO  52   7.058  64.829 107.853
  363   2HD   PRO  52           HD1      PRO  52   7.545  64.863 106.144
  364    H    ALA  53           HN       ALA  53   5.663  62.574 108.719
  365    HA   ALA  53           HA       ALA  53   6.451  60.631 110.781
  366   1HB   ALA  53           HB3      ALA  53   5.364  63.163 110.873
  367   2HB   ALA  53           HB2      ALA  53   3.957  62.148 111.189
  368   3HB   ALA  53           HB1      ALA  53   5.381  62.028 112.224
  369    H    ASP  54           HN       ASP  54   4.290  60.727 108.150
  370    HA   ASP  54           HA       ASP  54   2.623  58.550 109.348
  371   1HB   ASP  54           HB2      ASP  54   1.941  60.046 106.820
  372   2HB   ASP  54           HB1      ASP  54   0.859  59.199 107.925
  373    H    LYS  55           HN       LYS  55   5.249  57.991 108.359
  374    HA   LYS  55           HA       LYS  55   5.179  57.082 105.615
  375   1HB   LYS  55           HB2      LYS  55   6.947  55.802 107.677
  376   2HB   LYS  55           HB1      LYS  55   7.322  56.256 106.018
  377   1HG   LYS  55           HG2      LYS  55   6.658  58.648 107.312
  378   2HG   LYS  55           HG1      LYS  55   7.676  57.765 108.449
  379   1HD   LYS  55           HD2      LYS  55   8.697  57.567 105.727
  380   2HD   LYS  55           HD1      LYS  55   8.568  59.247 106.251
  381   1HE   LYS  55           HE2      LYS  55  10.253  59.023 107.748
  382   2HE   LYS  55           HE1      LYS  55   9.642  57.474 108.328
  383   1HZ   LYS  55           HZ1      LYS  55  10.495  56.681 106.004
  384   2HZ   LYS  55           HZ3      LYS  55  11.502  58.040 106.134
  385   3HZ   LYS  55           HZ2      LYS  55  11.564  56.823 107.318
  386    H    CYS  56           HN       CYS  56   6.231  54.421 106.026
  387    HA   CYS  56           HA       CYS  56   3.697  52.993 106.684
  388   1HB   CYS  56           HB2      CYS  56   6.120  51.762 105.363
  389   2HB   CYS  56           HB1      CYS  56   4.443  51.224 105.291
  390    H    LYS  57           HN       LYS  57   3.985  52.947 109.001
  391    HA   LYS  57           HA       LYS  57   6.361  51.386 109.922
  392   1HB   LYS  57           HB2      LYS  57   4.754  53.585 111.212
  393   2HB   LYS  57           HB1      LYS  57   5.679  52.455 112.201
  394   1HG   LYS  57           HG2      LYS  57   7.417  53.870 111.853
  395   2HG   LYS  57           HG1      LYS  57   7.501  53.133 110.253
  396   1HD   LYS  57           HD2      LYS  57   7.310  55.337 109.611
  397   2HD   LYS  57           HD1      LYS  57   5.595  54.949 109.747
  398   1HE   LYS  57           HE2      LYS  57   6.404  55.631 112.352
  399   2HE   LYS  57           HE1      LYS  57   7.171  56.823 111.303
  400   1HZ   LYS  57           HZ1      LYS  57   5.025  57.255 110.281
  401   2HZ   LYS  57           HZ3      LYS  57   4.288  56.111 111.294
  402   3HZ   LYS  57           HZ2      LYS  57   4.957  57.524 111.957
  403    H    ALA  58           HN       ALA  58   5.735  50.264 112.155
  404    HA   ALA  58           HA       ALA  58   3.577  48.411 111.526
  405   1HB   ALA  58           HB1      ALA  58   5.490  48.709 113.844
  406   2HB   ALA  58           HB3      ALA  58   4.179  47.530 113.881
  407   3HB   ALA  58           HB2      ALA  58   5.425  47.427 112.636
   
  No H/Q in entry =         407