*HEADER   HORMONE                                 08-OCT-96   2HIU    
*TITLE    NMR STRUCTURE OF HUMAN INSULIN IN 20% ACETIC ACID,          
*TITLE   2 ZINC-FREE, 10 STRUCTURES                                   
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: INSULIN;                                         
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 BIOLOGICAL_UNIT: HETERODIMER                               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN                                     
*KEYWDS   INSULIN, HORMONE, GLUCOSE METABOLISM                        
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   Q.X.HUA,S.N.GOZANI,R.E.CHANCE,J.A.HOFFMANN,B.H.FRANK,       
*AUTHOR  2 M.A.WEISS                                                  
*REVDAT  1   01-APR-97 2HIU    0                                      

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assign (resid 16 and name CD2) (resid 19 and name CZ)	 8.10  5.10  0.00
assign (resid 19 and name HE2) (resid  2 and name HN)	 4.30  1.30  0.00
assign (resid 19 and name HE1) (resid 15 and name HA)	 5.10  2.10  0.00
assign (resid 19 and name HN) (resid 17 and name HA)	 4.30  1.30  0.00
assign (resid 29 and name HA1) (resid 30 and name HN)	 4.30  1.30  0.00
assign (resid 29 and name HA2) (resid 30 and name HN)	 4.30  1.30  0.00
assign (resid 29 and name HA1) (resid 31 and name HN)	 4.30  1.30  0.00
assign (resid 29 and name HA2) (resid 31 and name HN)	 4.30  1.30  0.00
assign (resid 30 and name HA) (resid 31 and name HN)	 4.30  1.30  0.00
assign (resid 31 and name HA) (resid 32 and name HN)	 4.30  1.30  0.00
assign (resid 32 and name HA) (resid 33 and name HN)	 4.30  1.30  0.00
assign (resid 33 and name HA) (resid 32 and name CD2)	 6.00  3.00  0.00
assign (resid 33 and name HA) (resid 36 and name CD2)	 5.40  2.40  0.00
assign (resid 33 and name HA) (resid 34 and name HN)	 4.30  1.30  0.00
assign (resid 36 and name HA) (resid 37 and name HN)	 4.30  1.30  0.00
assign (resid 36 and name HB1) (resid 45 and name CZ)	 7.20  4.20  0.00
assign (resid 36 and name HB2) (resid 45 and name CZ)	 7.20  4.20  0.00
assign (resid 36 and name HB1) (resid 45 and name CG)	 7.20  4.20  0.00
assign (resid 36 and name HB2) (resid 45 and name CG)	 7.20  4.20  0.00
assign (resid 36 and name CD1) (resid 45 and name CZ)	 5.80  2.80  0.00
assign (resid 36 and name CD2) (resid 45 and name HE2)	 5.30  2.30  0.00
assign (resid 36 and name CD1) (resid 45 and name CG)	 4.90  1.90  0.00
assign (resid 36 and name HB1) (resid 35 and name HN)	 4.30  1.30  0.00
assign (resid 36 and name HB2) (resid 35 and name HN)	 4.30  1.30  0.00
assign (resid 37 and name HA) (resid 38 and name HN)	 4.30  1.30  0.00
assign (resid 38 and name HA) (resid 39 and name HN)	 4.30  1.30  0.00
assign (resid 38 and name HB2) (resid 39 and name HA)	 4.30  1.30  0.00
assign (resid 39 and name HA) (resid 40 and name HN)	 4.30  1.30  0.00
assign (resid 40 and name HA) (resid 41 and name HN)	 4.30  1.30  0.00
assign (resid 47 and name HB1) (resid 48 and name HN)	 6.00  3.00  0.00
assign (resid 47 and name HB2) (resid 48 and name HN)	 6.00  3.00  0.00
assign (resid 47 and name CG) (resid 48 and name HN)	 6.40  3.40  0.00
assign (resid 47 and name HN) (resid 48 and name HN)	 4.30  1.30  0.00
assign (resid 49 and name HB1) (resid 50 and name HN)	 6.00  3.00  0.00
assign (resid 49 and name HB2) (resid 50 and name HN)	 6.00  3.00  0.00
assign (resid 49 and name HG1) (resid 50 and name HN)	 5.10  2.10  0.00
assign (resid 49 and name HG2) (resid 50 and name HN)	 5.10  2.10  0.00
assign (resid 49 and name HD1) (resid 50 and name HN)	 6.00  3.00  0.00
assign (resid 49 and name HD2) (resid 50 and name HN)	 6.00  3.00  0.00
assign (resid 50 and name HN) (resid 51 and name HN)	 4.30  1.30  0.00
assign (resid 50 and name HB1) (resid 51 and name HN)	 4.40  1.40  0.00
assign (resid 50 and name HB2) (resid 51 and name HN)	 4.40  1.40  0.00
assign (resid 46 and name CG) (resid 48 and name CG2)	 7.40  4.40  0.00
assign (resid 46 and name HZ) (resid 48 and name CG2)	 5.30  2.30  0.00
assign (resid 47 and name CG) (resid 33 and name CG1)	 9.10  6.10  0.00
assign (resid 47 and name CG) (resid 33 and name CG2)	 9.10  6.10  0.00
assign (resid 47 and name CG) (resid  2 and name CG2)	 6.50  3.50  0.00
assign (resid 47 and name HB1) (resid 32 and name CD1)	 8.70  5.70  0.00
assign (resid 47 and name HB2) (resid 32 and name CD1)	 8.70  5.70  0.00
assign (resid 47 and name HB1) (resid 32 and name CD2)	 8.70  5.70  0.00
assign (resid 47 and name HB2) (resid 32 and name CD2)	 8.70  5.70  0.00
assign (resid 47 and name HB1) (resid  2 and name CG2)	 6.10  3.10  0.00
assign (resid 47 and name HB2) (resid  2 and name CG2)	 6.10  3.10  0.00
assign (resid 48 and name HA) (resid 49 and name HD1)	 5.10  2.10  0.00
assign (resid 48 and name HA) (resid 49 and name HD2)	 5.10  2.10  0.00
assign (resid 48 and name HA) (resid 49 and name HG1)	 6.00  3.00  0.00
assign (resid 48 and name HA) (resid 49 and name HG2)	 6.00  3.00  0.00
assign (resid 49 and name HA) (resid  3 and name CG1)	 7.00  4.00  0.00
assign (resid 49 and name HA) (resid  3 and name CG2)	 7.00  4.00  0.00
assign (resid 47 and name CG) (resid 36 and name CD1)	 6.50  3.50  0.00
assign (resid 47 and name CZ) (resid 36 and name CD2)	 7.40  4.40  0.00
assign (resid 47 and name CZ) (resid 33 and name CG1)	 8.20  5.20  0.00
assign (resid 47 and name CZ) (resid 33 and name CG2)	 8.20  5.20  0.00
assign (resid 46 and name HB1) (resid 47 and name HN)	 6.00  3.00  0.00
assign (resid 46 and name HB2) (resid 47 and name HN)	 6.00  3.00  0.00
assign (resid 47 and name CZ) (resid 48 and name CG2)	 7.40  4.40  0.00
assign (resid 47 and name CZ) (resid  2 and name HG11)	 7.20  4.20  0.00
assign (resid 47 and name CZ) (resid  2 and name HG12)	 7.20  4.20  0.00
assign (resid 47 and name CZ) (resid  3 and name CG1)	 8.20  5.20  0.00
assign (resid 47 and name CZ) (resid  3 and name CG2)	 8.20  5.20  0.00
assign (resid 47 and name CZ) (resid  2 and name CG2)	 5.80  2.80  0.00
assign (resid 47 and name CZ) (resid 32 and name HG)	 6.40  3.40  0.00
assign (resid 47 and name CZ) (resid 33 and name CG1)	 8.20  5.20  0.00
assign (resid 47 and name CZ) (resid 33 and name CG2)	 8.20  5.20  0.00
assign (resid 47 and name HE1) (resid 36 and name CD2)	 5.30  2.30  0.00
assign (resid 47 and name CG) (resid  2 and name CG2)	 5.80  2.80  0.00
assign (resid 47 and name CG) (resid  3 and name CG1)	 8.20  5.20  0.00
assign (resid 47 and name CG) (resid  3 and name CG2)	 8.20  5.20  0.00
assign (resid 47 and name CG) (resid 33 and name CG1)	 8.20  5.20  0.00
assign (resid 47 and name CG) (resid 33 and name CG2)	 8.20  5.20  0.00
assign (resid 22 and name HB1) (resid 23 and name HN)	 4.40  1.40  0.00
assign (resid 22 and name HB2) (resid 23 and name HN)	 4.40  1.40  0.00
assign (resid 24 and name HB1) (resid 25 and name HN)	 6.00  3.00  0.00
assign (resid 24 and name HB2) (resid 25 and name HN)	 6.00  3.00  0.00
assign (resid 25 and name HB1) (resid 26 and name HN)	 4.30  1.30  0.00
assign (resid 25 and name HB2) (resid 26 and name HN)	 4.30  1.30  0.00
assign (resid 26 and name HB2) (resid 27 and name HN)	 4.30  1.30  0.00
assign (resid 27 and name HB2) (resid 28 and name HN)	 4.30  1.30  0.00
assign (resid 28 and name HB1) (resid 29 and name HN)	 6.00  3.00  0.00
assign (resid 28 and name HB2) (resid 29 and name HN)	 6.00  3.00  0.00
assign (resid 30 and name HB1) (resid 31 and name HN)	 6.00  3.00  0.00
assign (resid 30 and name HB2) (resid 31 and name HN)	 6.00  3.00  0.00
assign (resid 31 and name HB1) (resid 32 and name HN)	 4.30  1.30  0.00
assign (resid 32 and name HB1) (resid 33 and name HN)	 4.30  1.30  0.00
assign (resid 33 and name HB) (resid 34 and name HN)	 4.30  1.30  0.00
assign (resid 34 and name HB1) (resid 35 and name HN)	 5.10  2.10  0.00
assign (resid 34 and name HB2) (resid 35 and name HN)	 5.10  2.10  0.00
assign (resid 35 and name CB) (resid 36 and name HN)	 4.40  1.40  0.00
assign (resid 36 and name HB1) (resid 37 and name HN)	 5.10  2.10  0.00
assign (resid 36 and name HB2) (resid 37 and name HN)	 5.10  2.10  0.00
assign (resid 37 and name HB1) (resid 38 and name HN)	 5.10  2.10  0.00
assign (resid 37 and name HB2) (resid 38 and name HN)	 5.10  2.10  0.00
assign (resid 38 and name HB1) (resid 39 and name HN)	 4.30  1.30  0.00
assign (resid 38 and name HB2) (resid 39 and name HN)	 4.30  1.30  0.00
assign (resid 39 and name HB) (resid 40 and name HN)	 4.30  1.30  0.00
assign (resid 40 and name HB1) (resid 41 and name HN)	 4.30  1.30  0.00
assign (resid 42 and name HB1) (resid 43 and name HN)	 5.10  2.10  0.00
assign (resid 42 and name HB2) (resid 43 and name HN)	 5.10  2.10  0.00
assign (resid 43 and name HB1) (resid 44 and name HN)	 5.10  2.10  0.00
assign (resid 43 and name HB2) (resid 44 and name HN)	 5.10  2.10  0.00
assign (resid 23 and name HN) (resid 24 and name HN)	 4.30  1.30  0.00
assign (resid 25 and name HN) (resid 26 and name HN)	 4.30  1.30  0.00
assign (resid 27 and name HN) (resid 28 and name HN)	 4.30  1.30  0.00
assign (resid 29 and name HN) (resid 30 and name HN)	 4.30  1.30  0.00
assign (resid 32 and name HN) (resid 33 and name HN)	 4.30  1.30  0.00
assign (resid 40 and name HN) (resid 41 and name HN)	 4.30  1.30  0.00
assign (resid 41 and name HN) (resid 42 and name HN)	 4.30  1.30  0.00
assign (resid 45 and name HN) (resid 46 and name HN)	 4.30  1.30  0.00
assign (resid 23 and name CG1) (resid 24 and name HN)	 5.10  2.10  0.00
assign (resid 23 and name CG2) (resid 24 and name HN)	 5.10  2.10  0.00
assign (resid 33 and name CG1) (resid 34 and name HN)	 5.40  2.40  0.00
assign (resid 33 and name CG2) (resid 34 and name HN)	 5.40  2.40  0.00
assign (resid 39 and name CG1) (resid 40 and name HN)	 5.40  2.40  0.00
assign (resid 39 and name CG2) (resid 40 and name HN)	 5.40  2.40  0.00
assign (resid 38 and name CD1) (resid 39 and name HN)	 7.00  4.00  0.00
assign (resid 38 and name CD2) (resid 39 and name HN)	 7.00  4.00  0.00
assign (resid 27 and name CD1) (resid 28 and name HN)	 7.00  4.00  0.00
assign (resid 27 and name CD2) (resid 28 and name HN)	 7.00  4.00  0.00
assign (resid 36 and name CD1) (resid 37 and name HN)	 7.00  4.00  0.00
assign (resid 36 and name CD2) (resid 37 and name HN)	 7.00  4.00  0.00
assign (resid 43 and name HD1) (resid 44 and name HN)	 6.00  3.00  0.00
assign (resid 43 and name HD2) (resid 44 and name HN)	 6.00  3.00  0.00
assign (resid 30 and name HA) (resid 33 and name HB)	 4.30  1.30  0.00
assign (resid 30 and name HA) (resid 33 and name CG1)	 5.40  2.40  0.00
assign (resid 30 and name HA) (resid 33 and name CG2)	 5.40  2.40  0.00
assign (resid 30 and name HN) (resid 33 and name CG1)	 7.00  4.00  0.00
assign (resid 30 and name HN) (resid 33 and name CG2)	 7.00  4.00  0.00
assign (resid 31 and name HN) (resid 33 and name CG1)	 7.00  4.00  0.00
assign (resid 31 and name HN) (resid 33 and name CG2)	 7.00  4.00  0.00
assign (resid 31 and name HA) (resid 34 and name HN)	 4.30  1.30  0.00
assign (resid 31 and name HB2) (resid 34 and name HN)	 6.00  3.00  0.00
assign (resid 31 and name HA) (resid 34 and name HB1)	 4.40  1.40  0.00
assign (resid 31 and name HA) (resid 34 and name HB2)	 4.40  1.40  0.00
assign (resid 32 and name HA) (resid 35 and name CB)	 4.40  1.40  0.00
assign (resid 33 and name HA) (resid 36 and name HB1)	 4.40  1.40  0.00
assign (resid 33 and name HA) (resid 36 and name HB2)	 4.40  1.40  0.00
assign (resid 33 and name CG1) (resid 37 and name HB1)	 7.00  4.00  0.00
assign (resid 33 and name CG1) (resid 37 and name HB2)	 7.00  4.00  0.00
assign (resid 33 and name CG2) (resid 37 and name HB1)	 7.00  4.00  0.00
assign (resid 33 and name CG2) (resid 37 and name HB2)	 7.00  4.00  0.00
assign (resid 34 and name HA) (resid 37 and name HB1)	 4.40  1.40  0.00
assign (resid 34 and name HA) (resid 37 and name HB2)	 4.40  1.40  0.00
assign (resid 42 and name HA) (resid 44 and name HN)	 4.30  1.30  0.00
assign (resid 22 and name HE1) (resid 24 and name HA)	 4.30  1.30  0.00
assign (resid 27 and name CD2) (resid 31 and name HB1)	 4.40  1.40  0.00
assign (resid 27 and name CD1) (resid 32 and name HA)	 4.30  1.30  0.00
assign (resid 27 and name CD2) (resid 32 and name HA)	 4.30  1.30  0.00
assign (resid 28 and name HN) (resid 31 and name HB1)	 4.30  1.30  0.00
assign (resid 32 and name HB2) (resid 33 and name HA)	 4.30  1.30  0.00
assign (resid 33 and name HA) (resid 36 and name HB1)	 4.30  1.30  0.00
assign (resid 33 and name HA) (resid 36 and name HB2)	 4.30  1.30  0.00
assign (resid 37 and name HN) (resid 35 and name HN)	 4.30  1.30  0.00
assign (resid 37 and name HN) (resid 35 and name HA)	 4.30  1.30  0.00
assign (resid 37 and name HN) (resid 36 and name HG)	 4.30  1.30  0.00
assign (resid 37 and name HD2) (resid 38 and name CD1)	 5.30  2.30  0.00
assign (resid 37 and name HD2) (resid 38 and name CD2)	 5.30  2.30  0.00
assign (resid 37 and name HE1) (resid 41 and name HA1)	 6.00  3.00  0.00
assign (resid 37 and name HE1) (resid 41 and name HA2)	 6.00  3.00  0.00
assign (resid 38 and name HN) (resid 34 and name HA)	 4.30  1.30  0.00
assign (resid 38 and name HN) (resid 35 and name HA)	 4.30  1.30  0.00
assign (resid 38 and name HN) (resid 39 and name CG1)	 5.30  2.30  0.00
assign (resid 38 and name HN) (resid 37 and name HD2)	 4.30  1.30  0.00
assign (resid 40 and name HN) (resid 41 and name HA1)	 4.30  1.30  0.00
assign (resid 40 and name HA) (resid 39 and name CG1)	 5.30  2.30  0.00
assign (resid 43 and name HN) (resid 41 and name HA1)	 4.30  1.30  0.00
assign (resid 43 and name HN) (resid 41 and name HA2)	 4.30  1.30  0.00
assign (resid 43 and name HB1) (resid 40 and name HA)	 6.00  3.00  0.00
assign (resid 43 and name HB2) (resid 40 and name HA)	 6.00  3.00  0.00
assign (resid 45 and name HD1) (resid 44 and name HA1)	 6.00  3.00  0.00
assign (resid 45 and name HD1) (resid 44 and name HA2)	 6.00  3.00  0.00
assign (resid 45 and name HD1) (resid 37 and name HA)	 4.30  1.30  0.00
assign (resid 45 and name HE1) (resid 37 and name HB1)	 5.10  2.10  0.00
assign (resid 45 and name HE1) (resid 37 and name HB2)	 5.10  2.10  0.00
assign (resid 45 and name HE1) (resid 37 and name HN)	 4.30  1.30  0.00
assign (resid 45 and name HE2) (resid 33 and name CG1)	 6.00  3.00  0.00
assign (resid 45 and name HE2) (resid 33 and name CG2)	 6.00  3.00  0.00
assign (resid 46 and name HN) (resid 45 and name CG)	 6.40  3.40  0.00
assign (resid  3 and name HA) (resid 32 and name CD1)	 4.40  1.40  0.00
assign (resid  6 and name HB2) (resid 27 and name CD2)	 5.30  2.30  0.00
assign (resid  7 and name HA) (resid 27 and name HN)	 4.30  1.30  0.00
assign (resid  7 and name HA) (resid 26 and name HA)	 4.30  1.30  0.00
assign (resid  9 and name HN) (resid 26 and name HB2)	 4.30  1.30  0.00
assign (resid 10 and name CG2) (resid 25 and name HA)	 4.40  1.40  0.00
assign (resid 10 and name CG2) (resid 25 and name HN)	 6.00  3.00  0.00
assign (resid 10 and name CG2) (resid 24 and name HA)	 5.30  2.30  0.00
assign (resid 10 and name CG2) (resid 24 and name HB1)	 7.00  4.00  0.00
assign (resid 10 and name CG2) (resid 24 and name HB2)	 7.00  4.00  0.00
assign (resid 10 and name HG11) (resid 24 and name HB1)	 8.40  5.40  0.00
assign (resid 10 and name HG11) (resid 24 and name HB2)	 8.40  5.40  0.00
assign (resid 10 and name HG12) (resid 24 and name HB1)	 8.40  5.40  0.00
assign (resid 10 and name HG12) (resid 24 and name HB2)	 8.40  5.40  0.00
assign (resid 10 and name CD) (resid 26 and name HE1)	 4.40  1.40  0.00
assign (resid 10 and name CD) (resid 26 and name HD2)	 4.40  1.40  0.00
assign (resid 10 and name HN) (resid 26 and name HE1)	 4.30  1.30  0.00
assign (resid 13 and name CD1) (resid 22 and name HD2)	 9.10  6.10  0.00
assign (resid 13 and name CD1) (resid 22 and name HD1)	 9.10  6.10  0.00
assign (resid 13 and name CD2) (resid 22 and name HD2)	 9.10  6.10  0.00
assign (resid 13 and name CD2) (resid 22 and name HD1)	 9.10  6.10  0.00
assign (resid 16 and name HB1) (resid 39 and name CG1)	 6.80  3.80  0.00
assign (resid 16 and name HB2) (resid 39 and name CG1)	 6.80  3.80  0.00
assign (resid 16 and name HB1) (resid 39 and name CG2)	 6.80  3.80  0.00
assign (resid 16 and name HB2) (resid 39 and name CG2)	 6.80  3.80  0.00
assign (resid 16 and name CD1) (resid 39 and name HB)	 7.00  4.00  0.00
assign (resid 16 and name CD2) (resid 39 and name HB)	 7.00  4.00  0.00
assign (resid 16 and name CD1) (resid 35 and name CB)	 5.40  2.40  0.00
assign (resid 16 and name CD2) (resid 35 and name CB)	 5.40  2.40  0.00
assign (resid 17 and name HN) (resid 39 and name CG1)	 7.00  4.00  0.00
assign (resid 17 and name HN) (resid 39 and name CG2)	 7.00  4.00  0.00
assign (resid 17 and name HA) (resid 39 and name CG1)	 5.40  2.40  0.00
assign (resid 17 and name HA) (resid 39 and name CG2)	 5.40  2.40  0.00
assign (resid 19 and name HB1) (resid 36 and name CD1)	 4.30  1.30  0.00
assign (resid 19 and name HB2) (resid 36 and name CD2)	 4.30  1.30  0.00
assign (resid 19 and name HD2) (resid 36 and name CD1)	 7.00  4.00  0.00
assign (resid 19 and name HD2) (resid 36 and name CD2)	 6.10  3.10  0.00
assign (resid 20 and name HB1) (resid 43 and name HG1)	 7.70  4.70  0.00
assign (resid 20 and name HB1) (resid 43 and name HG2)	 7.70  4.70  0.00
assign (resid 20 and name HB2) (resid 43 and name HG1)	 7.70  4.70  0.00
assign (resid 20 and name HB2) (resid 43 and name HG2)	 7.70  4.70  0.00
assign (resid 21 and name HN) (resid 43 and name HB1)	 5.10  2.10  0.00
assign (resid 21 and name HN) (resid 43 and name HB2)	 5.10  2.10  0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -6.407   5.776   0.726
    2   2H    GLY   1          3H        GLY   1  -6.697   7.020   1.840
    3   3H    GLY   1          2H        GLY   1  -6.302   7.398   0.232
    4   1HA   GLY   1          2HA       GLY   1  -4.370   7.772   1.548
    5   2HA   GLY   1          1HA       GLY   1  -4.531   6.170   2.272
    6    H    ILE   2           H        ILE   2  -4.201   4.296   0.869
    7    HA   ILE   2           HA       ILE   2  -1.921   4.237  -0.665
    8    HB   ILE   2           HB       ILE   2  -2.996   2.206  -0.116
    9   1HG1  ILE   2          2HG1      ILE   2  -3.686   2.431  -3.044
   10   2HG1  ILE   2          1HG1      ILE   2  -2.011   2.382  -2.492
   11   1HG2  ILE   2          1HG2      ILE   2  -5.404   3.498  -1.386
   12   2HG2  ILE   2          3HG2      ILE   2  -5.330   1.749  -1.176
   13   3HG2  ILE   2          2HG2      ILE   2  -5.245   2.811   0.230
   14   1HD1  ILE   2          3HD1      ILE   2  -2.862   0.289  -1.115
   15   2HD1  ILE   2          2HD1      ILE   2  -4.115   0.251  -2.356
   16   3HD1  ILE   2          1HD1      ILE   2  -2.416   0.117  -2.813
   17    H    VAL   3           H        VAL   3  -5.017   5.513  -1.687
   18    HA   VAL   3           HA       VAL   3  -4.351   5.578  -4.532
   19    HB   VAL   3           HB       VAL   3  -6.467   6.939  -4.583
   20   1HG1  VAL   3          2HG1      VAL   3  -6.510   4.464  -4.679
   21   2HG1  VAL   3          1HG1      VAL   3  -6.587   4.407  -2.918
   22   3HG1  VAL   3          3HG1      VAL   3  -7.921   5.105  -3.836
   23   1HG2  VAL   3          1HG2      VAL   3  -5.781   7.229  -1.798
   24   2HG2  VAL   3          3HG2      VAL   3  -7.065   8.029  -2.705
   25   3HG2  VAL   3          2HG2      VAL   3  -7.369   6.473  -1.933
   26    H    GLU   4           H        GLU   4  -3.964   7.705  -1.768
   27    HA   GLU   4           HA       GLU   4  -3.117   9.929  -3.576
   28   1HB   GLU   4          2HB       GLU   4  -3.456  10.137  -0.595
   29   2HB   GLU   4          1HB       GLU   4  -3.736  11.364  -1.829
   30   1HG   GLU   4          2HG       GLU   4  -5.533   9.402  -2.541
   31   2HG   GLU   4          1HG       GLU   4  -5.559   9.311  -0.781
   32    H    GLN   5           H        GLN   5  -1.766   7.455  -1.646
   33    HA   GLN   5           HA       GLN   5   0.575   9.061  -0.844
   34   1HB   GLN   5          2HB       GLN   5  -0.711   6.899   0.223
   35   2HB   GLN   5          1HB       GLN   5   0.644   6.104  -0.579
   36   1HG   GLN   5          2HG       GLN   5   1.165   6.770   1.769
   37   2HG   GLN   5          1HG       GLN   5   2.237   7.518   0.585
   38   1HE2  GLN   5          2HE2      GLN   5   1.483  10.594   2.171
   39   2HE2  GLN   5          1HE2      GLN   5   2.680   9.442   1.821
   40    H    CYS   6           H        CYS   6  -0.144   6.486  -3.251
   41    HA   CYS   6           HA       CYS   6   2.649   6.723  -4.203
   42   1HB   CYS   6          2HB       CYS   6   0.693   4.910  -5.577
   43   2HB   CYS   6          1HB       CYS   6   2.371   4.652  -5.153
   44    H    CYS   7           H        CYS   7  -0.639   7.090  -5.777
   45    HA   CYS   7           HA       CYS   7   0.557   8.119  -8.195
   46   1HB   CYS   7          2HB       CYS   7  -1.848   7.344  -7.762
   47   2HB   CYS   7          1HB       CYS   7  -2.117   8.909  -7.042
   48    H    THR   8           H        THR   8  -0.881   9.736  -5.413
   49    HA   THR   8           HA       THR   8  -0.023  12.395  -6.298
   50    HB   THR   8           HB       THR   8  -1.524  11.102  -4.035
   51    HG1  THR   8           HG1      THR   8  -2.171  13.119  -5.923
   52   1HG2  THR   8          1HG2      THR   8  -0.511  13.944  -4.173
   53   2HG2  THR   8          3HG2      THR   8  -1.982  13.539  -3.288
   54   3HG2  THR   8          2HG2      THR   8  -0.442  12.820  -2.815
   55    H    SER   9           H        SER   9   2.021  10.166  -5.490
   56    HA   SER   9           HA       SER   9   4.050  11.770  -4.386
   57   1HB   SER   9          2HB       SER   9   2.829  12.210  -2.423
   58   2HB   SER   9          1HB       SER   9   2.116  10.602  -2.391
   59    HG   SER   9           HG       SER   9   4.267  11.477  -1.129
   60    H    ILE  10           H        ILE  10   5.201   9.904  -2.509
   61    HA   ILE  10           HA       ILE  10   5.608   7.523  -4.291
   62    HB   ILE  10           HB       ILE  10   7.518   8.922  -2.399
   63   1HG1  ILE  10          2HG1      ILE  10   8.604   9.373  -4.779
   64   2HG1  ILE  10          1HG1      ILE  10   6.935   9.199  -5.324
   65   1HG2  ILE  10          1HG2      ILE  10   7.672   6.489  -4.124
   66   2HG2  ILE  10          3HG2      ILE  10   9.109   7.505  -4.001
   67   3HG2  ILE  10          2HG2      ILE  10   8.403   6.794  -2.549
   68   1HD1  ILE  10          2HD1      ILE  10   7.311  10.897  -2.928
   69   2HD1  ILE  10          1HD1      ILE  10   7.983  11.543  -4.425
   70   3HD1  ILE  10          3HD1      ILE  10   6.268  11.140  -4.330
   71    H    CYS  11           H        CYS  11   4.631   5.778  -3.305
   72    HA   CYS  11           HA       CYS  11   4.817   5.594  -0.311
   73   1HB   CYS  11          2HB       CYS  11   2.724   4.447  -0.378
   74   2HB   CYS  11          1HB       CYS  11   2.554   5.721  -1.558
   75    H    SER  12           H        SER  12   5.539   3.537   0.574
   76    HA   SER  12           HA       SER  12   7.196   2.019  -1.382
   77   1HB   SER  12          2HB       SER  12   7.843   1.172   1.162
   78   2HB   SER  12          1HB       SER  12   8.664   2.430   0.261
   79    HG   SER  12           HG       SER  12   6.850   2.591   2.359
   80    H    LEU  13           H        LEU  13   7.662  -0.276  -0.291
   81    HA   LEU  13           HA       LEU  13   5.258  -1.836  -0.778
   82   1HB   LEU  13          2HB       LEU  13   7.976  -2.643   0.312
   83   2HB   LEU  13          1HB       LEU  13   6.787  -3.722  -0.417
   84    HG   LEU  13           HG       LEU  13   7.673  -1.345  -1.997
   85   1HD1  LEU  13          1HD1      LEU  13   9.330  -3.806  -1.422
   86   2HD1  LEU  13          3HD1      LEU  13   9.540  -2.868  -2.900
   87   3HD1  LEU  13          2HD1      LEU  13   9.821  -2.115  -1.330
   88   1HD2  LEU  13          3HD2      LEU  13   6.847  -4.204  -2.561
   89   2HD2  LEU  13          2HD2      LEU  13   5.977  -2.727  -2.978
   90   3HD2  LEU  13          1HD2      LEU  13   7.478  -3.132  -3.812
   91    H    TYR  14           H        TYR  14   6.829  -0.573   2.061
   92    HA   TYR  14           HA       TYR  14   5.334  -2.369   3.870
   93   1HB   TYR  14          2HB       TYR  14   7.741  -1.432   4.160
   94   2HB   TYR  14          1HB       TYR  14   6.942   0.072   4.631
   95    HD1  TYR  14           HD2      TYR  14   5.383   0.108   6.578
   96    HD2  TYR  14           HD1      TYR  14   7.738  -3.353   5.606
   97    HE1  TYR  14           HE2      TYR  14   4.963  -0.814   8.845
   98    HE2  TYR  14           HE1      TYR  14   7.321  -4.275   7.874
   99    HH   TYR  14           HH       TYR  14   5.063  -2.733  10.094
  100    H    GLN  15           H        GLN  15   5.104   0.770   2.407
  101    HA   GLN  15           HA       GLN  15   3.077   1.795   4.266
  102   1HB   GLN  15          2HB       GLN  15   4.732   2.702   2.083
  103   2HB   GLN  15          1HB       GLN  15   3.054   3.110   1.721
  104   1HG   GLN  15          2HG       GLN  15   3.379   3.691   4.451
  105   2HG   GLN  15          1HG       GLN  15   4.842   4.297   3.674
  106   1HE2  GLN  15          2HE2      GLN  15   1.911   6.772   3.484
  107   2HE2  GLN  15          1HE2      GLN  15   2.456   5.819   4.778
  108    H    LEU  16           H        LEU  16   3.299   0.217   1.126
  109    HA   LEU  16           HA       LEU  16   0.429   0.168   0.600
  110   1HB   LEU  16          2HB       LEU  16   2.779  -0.156  -0.807
  111   2HB   LEU  16          1HB       LEU  16   2.225  -1.821  -0.646
  112    HG   LEU  16           HG       LEU  16  -0.058  -0.973  -1.456
  113   1HD1  LEU  16          2HD1      LEU  16   1.118   1.494  -1.153
  114   2HD1  LEU  16          1HD1      LEU  16   1.296   1.219  -2.886
  115   3HD1  LEU  16          3HD1      LEU  16  -0.305   1.179  -2.146
  116   1HD2  LEU  16          1HD2      LEU  16   1.716  -2.237  -2.797
  117   2HD2  LEU  16          3HD2      LEU  16   0.577  -1.279  -3.745
  118   3HD2  LEU  16          2HD2      LEU  16   2.206  -0.672  -3.444
  119    H    GLU  17           H        GLU  17   2.638  -1.575   2.567
  120    HA   GLU  17           HA       GLU  17   1.523  -4.201   2.564
  121   1HB   GLU  17          2HB       GLU  17   3.336  -2.535   4.141
  122   2HB   GLU  17          1HB       GLU  17   2.459  -3.701   5.131
  123   1HG   GLU  17          2HG       GLU  17   3.153  -5.218   2.953
  124   2HG   GLU  17          1HG       GLU  17   4.536  -4.137   3.111
  125    H    ASN  18           H        ASN  18   0.357  -1.209   3.869
  126    HA   ASN  18           HA       ASN  18  -1.317  -2.337   5.955
  127   1HB   ASN  18          2HB       ASN  18  -1.458   0.286   4.434
  128   2HB   ASN  18          1HB       ASN  18  -2.235  -0.050   5.981
  129   1HD2  ASN  18          2HD2      ASN  18   1.318  -0.523   7.326
  130   2HD2  ASN  18          1HD2      ASN  18   0.116  -1.661   6.953
  131    H    TYR  19           H        TYR  19  -1.528  -3.087   2.822
  132    HA   TYR  19           HA       TYR  19  -4.525  -2.970   2.818
  133   1HB   TYR  19          2HB       TYR  19  -2.543  -2.675   0.538
  134   2HB   TYR  19          1HB       TYR  19  -4.299  -2.680   0.353
  135    HD1  TYR  19           HD2      TYR  19  -5.679  -0.863   1.331
  136    HD2  TYR  19           HD1      TYR  19  -1.385  -0.765   1.473
  137    HE1  TYR  19           HE2      TYR  19  -5.756   1.540   1.936
  138    HE2  TYR  19           HE1      TYR  19  -1.461   1.639   2.082
  139    HH   TYR  19           HH       TYR  19  -2.766   3.355   2.632
  140    H    CYS  20           H        CYS  20  -1.729  -4.938   2.673
  141    HA   CYS  20           HA       CYS  20  -2.428  -7.094   1.012
  142   1HB   CYS  20          2HB       CYS  20  -1.118  -7.213   3.746
  143   2HB   CYS  20          1HB       CYS  20  -0.876  -8.340   2.414
  144    H    ASN  21           HN       ASN  21  -2.384  -8.525   4.068
  145    HA   ASN  21           HA       ASN  21  -4.878  -9.830   3.807
  146   1HB   ASN  21          2HB       ASN  21  -2.977  -9.220   6.067
  147   2HB   ASN  21          1HB       ASN  21  -4.454 -10.141   6.361
  148   1HD2  ASN  21          2HD2      ASN  21  -1.315 -12.070   4.854
  149   2HD2  ASN  21          1HD2      ASN  21  -1.227 -10.567   5.640
  150   1H    PHE   1          2H        PHE  22  12.085  -2.253  -9.298
  151   2H    PHE   1          1H        PHE  22  10.957  -3.448  -8.862
  152   3H    PHE   1          3H        PHE  22  10.419  -1.954  -9.461
  153    HA   PHE   1           HA       PHE  22  10.088  -1.815  -7.145
  154   1HB   PHE   1          2HB       PHE  22  11.284  -3.777  -6.505
  155   2HB   PHE   1          1HB       PHE  22  12.796  -3.149  -7.157
  156    HD1  PHE   1           HD1      PHE  22  10.479  -0.994  -5.289
  157    HD2  PHE   1           HD2      PHE  22  14.012  -3.429  -5.043
  158    HE1  PHE   1           HE1      PHE  22  11.023   0.017  -3.089
  159    HE2  PHE   1           HE2      PHE  22  14.556  -2.418  -2.843
  160    HZ   PHE   1           HZ       PHE  22  13.062  -0.694  -1.866
  161    H    VAL   2           H        VAL  23  10.065   0.392  -7.057
  162    HA   VAL   2           HA       VAL  23  12.597   1.849  -6.681
  163    HB   VAL   2           HB       VAL  23  11.983   3.392  -8.614
  164   1HG1  VAL   2          1HG1      VAL  23  13.641   1.359  -8.614
  165   2HG1  VAL   2          3HG1      VAL  23  12.418   0.593  -9.628
  166   3HG1  VAL   2          2HG1      VAL  23  13.182   2.094 -10.150
  167   1HG2  VAL   2          3HG2      VAL  23   9.708   1.625  -8.620
  168   2HG2  VAL   2          2HG2      VAL  23   9.983   3.066  -9.600
  169   3HG2  VAL   2          1HG2      VAL  23  10.548   1.494 -10.166
  170    H    ASN   3           H        ASN  24  12.193   3.463  -5.206
  171    HA   ASN   3           HA       ASN  24   9.604   3.955  -4.097
  172   1HB   ASN   3          2HB       ASN  24  12.360   4.803  -3.817
  173   2HB   ASN   3          1HB       ASN  24  11.282   6.189  -3.651
  174   1HD2  ASN   3          2HD2      ASN  24  11.681   3.941  -0.471
  175   2HD2  ASN   3          1HD2      ASN  24  12.844   4.220  -1.675
  176    H    GLN   4           H        GLN  25   8.007   4.719  -5.521
  177    HA   GLN   4           HA       GLN  25   8.369   7.435  -6.610
  178   1HB   GLN   4          2HB       GLN  25   9.385   5.619  -8.144
  179   2HB   GLN   4          1HB       GLN  25   7.725   5.125  -8.465
  180   1HG   GLN   4          2HG       GLN  25   7.268   7.014  -9.694
  181   2HG   GLN   4          1HG       GLN  25   8.322   8.034  -8.711
  182   1HE2  GLN   4          1HE2      GLN  25   9.954   8.819 -10.057
  183   2HE2  GLN   4          2HE2      GLN  25  10.812   7.889 -11.188
  184    H    HIS   5           H        HIS  26   6.194   7.570  -8.275
  185    HA   HIS   5           HA       HIS  26   3.948   7.208  -6.417
  186   1HB   HIS   5          2HB       HIS  26   3.866   8.381  -9.204
  187   2HB   HIS   5          1HB       HIS  26   2.864   8.807  -7.846
  188    HD1  HIS   5           HD1      HIS  26   3.635  10.706  -6.405
  189    HD2  HIS   5           HD2      HIS  26   6.681   9.288  -8.866
  190    HE1  HIS   5           HE1      HIS  26   5.576  12.299  -6.121
  191    H    LEU   6           H        LEU  27   2.239   5.723  -6.804
  192    HA   LEU   6           HA       LEU  27   2.620   3.916  -9.142
  193   1HB   LEU   6          2HB       LEU  27   1.584   3.376  -6.354
  194   2HB   LEU   6          1HB       LEU  27   1.761   2.165  -7.604
  195    HG   LEU   6           HG       LEU  27   4.150   3.815  -6.885
  196   1HD1  LEU   6          2HD1      LEU  27   2.694   2.455  -4.917
  197   2HD1  LEU   6          1HD1      LEU  27   3.970   1.327  -5.373
  198   3HD1  LEU   6          3HD1      LEU  27   4.383   2.944  -4.807
  199   1HD2  LEU   6          2HD2      LEU  27   3.568   1.641  -8.544
  200   2HD2  LEU   6          1HD2      LEU  27   5.175   2.222  -8.105
  201   3HD2  LEU   6          3HD2      LEU  27   4.415   0.937  -7.166
  202    H    CYS   7           H        CYS  28   0.704   6.196  -9.190
  203    HA   CYS   7           HA       CYS  28  -1.878   6.060  -8.705
  204   1HB   CYS   7          2HB       CYS  28  -0.411   6.960 -10.828
  205   2HB   CYS   7          1HB       CYS  28  -1.563   5.870 -11.606
  206    H    GLY   8           H        GLY  29  -3.453   4.701  -8.495
  207   1HA   GLY   8          2HA       GLY  29  -4.016   2.312  -8.219
  208   2HA   GLY   8          1HA       GLY  29  -4.925   2.971  -9.558
  209    H    SER   9           H        SER  30  -3.474   2.754 -11.810
  210    HA   SER   9           HA       SER  30  -3.238  -0.006 -12.294
  211   1HB   SER   9          2HB       SER  30  -2.521   0.688 -14.421
  212   2HB   SER   9          1HB       SER  30  -3.365   2.119 -13.834
  213    HG   SER   9           HG       SER  30  -1.532   3.145 -13.813
  214    H    HIS  10           H        HIS  31  -0.820   2.296 -11.139
  215    HA   HIS  10           HA       HIS  31   1.346   0.312 -11.385
  216   1HB   HIS  10          2HB       HIS  31   0.944   3.148 -10.648
  217   2HB   HIS  10          1HB       HIS  31   2.216   2.330  -9.748
  218    HD1  HIS  10           HD1      HIS  31   4.183   3.455 -10.967
  219    HD2  HIS  10           HD2      HIS  31   1.556   1.491 -13.539
  220    HE1  HIS  10           HE1      HIS  31   5.327   3.362 -13.224
  221    H    LEU  11           H        LEU  32  -0.738   1.747  -8.928
  222    HA   LEU  11           HA       LEU  32   0.352   0.458  -6.634
  223   1HB   LEU  11          2HB       LEU  32  -2.290   1.585  -7.480
  224   2HB   LEU  11          1HB       LEU  32  -2.233   0.629  -6.004
  225    HG   LEU  11           HG       LEU  32  -0.489   3.033  -6.583
  226   1HD1  LEU  11          1HD1      LEU  32  -3.134   2.923  -5.702
  227   2HD1  LEU  11          3HD1      LEU  32  -2.193   3.067  -4.218
  228   3HD1  LEU  11          2HD1      LEU  32  -2.024   4.277  -5.488
  229   1HD2  LEU  11          2HD2      LEU  32  -0.162   0.772  -4.874
  230   2HD2  LEU  11          1HD2      LEU  32   0.849   2.212  -4.977
  231   3HD2  LEU  11          3HD2      LEU  32  -0.515   2.171  -3.861
  232    H    VAL  12           H        VAL  33  -2.438  -0.520  -8.730
  233    HA   VAL  12           HA       VAL  33  -2.921  -2.919  -7.400
  234    HB   VAL  12           HB       VAL  33  -3.408  -1.727 -10.053
  235   1HG1  VAL  12          1HG1      VAL  33  -3.553  -4.705  -9.595
  236   2HG1  VAL  12          3HG1      VAL  33  -4.474  -3.884 -10.856
  237   3HG1  VAL  12          2HG1      VAL  33  -2.710  -3.855 -10.889
  238   1HG2  VAL  12          3HG2      VAL  33  -4.860  -1.766  -7.884
  239   2HG2  VAL  12          2HG2      VAL  33  -5.652  -1.987  -9.445
  240   3HG2  VAL  12          1HG2      VAL  33  -5.307  -3.384  -8.425
  241    H    GLU  13           H        GLU  34  -0.340  -2.027  -9.588
  242    HA   GLU  13           HA       GLU  34   0.545  -4.844  -9.839
  243   1HB   GLU  13          2HB       GLU  34   1.598  -4.093 -11.722
  244   2HB   GLU  13          1HB       GLU  34   0.549  -2.694 -11.531
  245   1HG   GLU  13          2HG       GLU  34   2.578  -1.611 -11.668
  246   2HG   GLU  13          1HG       GLU  34   2.549  -1.903  -9.930
  247    H    ALA  14           H        ALA  35   1.071  -2.152  -7.756
  248    HA   ALA  14           HA       ALA  35   3.756  -3.176  -6.926
  249   1HB   ALA  14          1HB       ALA  35   2.217  -0.609  -6.764
  250   2HB   ALA  14          3HB       ALA  35   3.329  -0.953  -5.438
  251   3HB   ALA  14          2HB       ALA  35   3.932  -0.861  -7.094
  252    H    LEU  15           H        LEU  36   0.427  -3.121  -6.147
  253    HA   LEU  15           HA       LEU  36   0.856  -3.788  -3.299
  254   1HB   LEU  15          2HB       LEU  36  -0.932  -2.363  -3.562
  255   2HB   LEU  15          1HB       LEU  36  -1.240  -2.908  -5.168
  256    HG   LEU  15           HG       LEU  36  -2.422  -4.830  -4.456
  257   1HD1  LEU  15          1HD1      LEU  36  -0.730  -4.563  -2.162
  258   2HD1  LEU  15          3HD1      LEU  36  -2.402  -4.568  -1.603
  259   3HD1  LEU  15          2HD1      LEU  36  -1.792  -5.909  -2.573
  260   1HD2  LEU  15          1HD2      LEU  36  -3.532  -2.533  -4.191
  261   2HD2  LEU  15          3HD2      LEU  36  -4.267  -3.866  -3.299
  262   3HD2  LEU  15          2HD2      LEU  36  -3.234  -2.707  -2.461
  263    H    TYR  16           H        TYR  37   0.238  -5.264  -6.407
  264    HA   TYR  16           HA       TYR  37  -0.593  -7.853  -5.255
  265   1HB   TYR  16          2HB       TYR  37  -1.374  -8.035  -7.390
  266   2HB   TYR  16          1HB       TYR  37  -0.601  -6.519  -7.801
  267    HD1  TYR  16           HD1      TYR  37   0.154 -10.170  -7.363
  268    HD2  TYR  16           HD2      TYR  37   1.219  -6.496  -9.329
  269    HE1  TYR  16           HE1      TYR  37   1.791 -11.389  -8.763
  270    HE2  TYR  16           HE2      TYR  37   2.851  -7.722 -10.730
  271    HH   TYR  16           HH       TYR  37   4.164  -9.826 -10.601
  272    H    LEU  17           H        LEU  38   2.237  -6.354  -6.822
  273    HA   LEU  17           HA       LEU  38   3.903  -8.668  -6.794
  274   1HB   LEU  17          2HB       LEU  38   4.090  -5.890  -7.377
  275   2HB   LEU  17          1HB       LEU  38   5.330  -6.210  -6.213
  276    HG   LEU  17           HG       LEU  38   6.565  -6.722  -8.060
  277   1HD1  LEU  17          3HD1      LEU  38   5.990  -8.899  -6.701
  278   2HD1  LEU  17          2HD1      LEU  38   5.107  -9.344  -8.161
  279   3HD1  LEU  17          1HD1      LEU  38   6.841  -9.030  -8.242
  280   1HD2  LEU  17          2HD2      LEU  38   4.009  -6.641  -9.311
  281   2HD2  LEU  17          1HD2      LEU  38   5.595  -6.556 -10.077
  282   3HD2  LEU  17          3HD2      LEU  38   4.812  -8.118  -9.841
  283    H    VAL  18           H        VAL  39   3.022  -6.190  -4.487
  284    HA   VAL  18           HA       VAL  39   5.049  -7.083  -2.628
  285    HB   VAL  18           HB       VAL  39   4.180  -4.678  -3.155
  286   1HG1  VAL  18          3HG1      VAL  39   1.779  -5.537  -2.506
  287   2HG1  VAL  18          2HG1      VAL  39   2.323  -5.219  -0.859
  288   3HG1  VAL  18          1HG1      VAL  39   2.280  -3.911  -2.042
  289   1HG2  VAL  18          1HG2      VAL  39   5.792  -5.486  -1.307
  290   2HG2  VAL  18          3HG2      VAL  39   4.995  -3.932  -1.060
  291   3HG2  VAL  18          2HG2      VAL  39   4.404  -5.370  -0.225
  292    H    CYS  19           H        CYS  40   1.632  -7.462  -3.183
  293    HA   CYS  19           HA       CYS  40   1.436  -9.462  -0.990
  294   1HB   CYS  19          2HB       CYS  40   0.163  -6.744  -1.103
  295   2HB   CYS  19          1HB       CYS  40  -0.697  -8.062  -0.311
  296    H    GLY  20           H        GLY  41   1.251 -10.244  -3.612
  297   1HA   GLY  20          2HA       GLY  41  -1.462  -9.912  -4.640
  298   2HA   GLY  20          1HA       GLY  41  -0.174 -10.839  -5.387
  299    H    GLU  21           H        GLU  42   0.330 -12.957  -4.330
  300    HA   GLU  21           HA       GLU  42  -1.808 -14.703  -4.161
  301   1HB   GLU  21          2HB       GLU  42   0.969 -14.604  -3.098
  302   2HB   GLU  21          1HB       GLU  42  -0.075 -15.872  -2.456
  303   1HG   GLU  21          2HG       GLU  42  -0.640 -16.507  -4.826
  304   2HG   GLU  21          1HG       GLU  42   0.586 -15.360  -5.368
  305    H    ARG  22           H        ARG  43  -0.731 -12.473  -1.709
  306    HA   ARG  22           HA       ARG  43  -2.215 -13.723   0.487
  307   1HB   ARG  22          2HB       ARG  43  -0.835 -11.062   0.050
  308   2HB   ARG  22          1HB       ARG  43  -1.573 -11.517   1.583
  309   1HG   ARG  22          2HG       ARG  43   0.059 -13.696   0.719
  310   2HG   ARG  22          1HG       ARG  43   1.016 -12.219   0.602
  311   1HD   ARG  22          2HD       ARG  43   0.170 -11.661   2.965
  312   2HD   ARG  22          1HD       ARG  43  -0.365 -13.351   3.042
  313    HE   ARG  22           HE       ARG  43   1.956 -14.053   2.770
  314   1HH1  ARG  22          1HH2      ARG  43   2.289 -11.103   1.479
  315   2HH1  ARG  22          2HH2      ARG  43   3.548 -10.529   2.521
  316   1HH2  ARG  22          2HH1      ARG  43   3.223 -13.133   4.787
  317   2HH2  ARG  22          1HH1      ARG  43   4.080 -11.680   4.391
  318    H    GLY  23           H        GLY  44  -2.960 -11.644  -2.128
  319   1HA   GLY  23          2HA       GLY  44  -4.982 -10.627  -2.755
  320   2HA   GLY  23          1HA       GLY  44  -5.749 -11.480  -1.414
  321    H    PHE  24           H        PHE  45  -6.582  -8.925  -1.828
  322    HA   PHE  24           HA       PHE  45  -5.893  -7.631   0.677
  323   1HB   PHE  24          2HB       PHE  45  -4.891  -5.609  -0.439
  324   2HB   PHE  24          1HB       PHE  45  -3.900  -7.056  -0.590
  325    HD1  PHE  24           HD1      PHE  45  -6.664  -5.244  -2.358
  326    HD2  PHE  24           HD2      PHE  45  -3.142  -7.680  -2.710
  327    HE1  PHE  24           HE1      PHE  45  -6.771  -5.039  -4.828
  328    HE2  PHE  24           HE2      PHE  45  -3.250  -7.475  -5.178
  329    HZ   PHE  24           HZ       PHE  45  -5.062  -6.156  -6.239
  330    H    PHE  25           H        PHE  46  -6.648  -5.082   0.191
  331    HA   PHE  25           HA       PHE  46  -9.063  -4.962  -1.478
  332   1HB   PHE  25          2HB       PHE  46  -9.588  -6.264   0.665
  333   2HB   PHE  25          1HB       PHE  46  -9.328  -4.750   1.531
  334    HD1  PHE  25           HD1      PHE  46 -11.079  -5.816  -1.627
  335    HD2  PHE  25           HD2      PHE  46 -11.270  -3.591   2.045
  336    HE1  PHE  25           HE1      PHE  46 -13.389  -5.099  -2.181
  337    HE2  PHE  25           HE2      PHE  46 -13.580  -2.874   1.491
  338    HZ   PHE  25           HZ       PHE  46 -14.640  -3.630  -0.622
  339    H    TYR  26           H        TYR  47  -7.988  -3.065  -2.331
  340    HA   TYR  26           HA       TYR  47  -7.850  -0.785  -0.392
  341   1HB   TYR  26          2HB       TYR  47  -5.802  -0.240  -1.277
  342   2HB   TYR  26          1HB       TYR  47  -5.788  -1.943  -1.715
  343    HD1  TYR  26           HD2      TYR  47  -6.430  -2.646  -4.042
  344    HD2  TYR  26           HD1      TYR  47  -5.960   1.480  -2.937
  345    HE1  TYR  26           HE2      TYR  47  -6.288  -2.018  -6.438
  346    HE2  TYR  26           HE1      TYR  47  -5.819   2.107  -5.330
  347    HH   TYR  26           HH       TYR  47  -6.493  -0.191  -7.875
  348    H    THR  27           H        THR  48  -9.569   0.551  -0.757
  349    HA   THR  27           HA       THR  48 -10.124   1.453  -3.527
  350    HB   THR  27           HB       THR  48 -12.567   0.865  -3.146
  351    HG1  THR  27           HG1      THR  48 -13.019  -0.529  -1.491
  352   1HG2  THR  27          2HG2      THR  48 -10.873  -0.521  -4.467
  353   2HG2  THR  27          1HG2      THR  48 -10.754  -1.552  -3.041
  354   3HG2  THR  27          3HG2      THR  48 -12.295  -1.385  -3.884
  355    HA   PRO  28           HA       PRO  49 -11.084   4.348   0.140
  356   1HB   PRO  28          2HB       PRO  49  -8.766   5.795   0.286
  357   2HB   PRO  28          1HB       PRO  49  -9.049   4.328   1.245
  358   1HG   PRO  28          2HG       PRO  49  -7.472   4.686  -1.247
  359   2HG   PRO  28          1HG       PRO  49  -7.147   3.688   0.171
  360   1HD   PRO  28          2HD       PRO  49  -8.137   2.704  -2.177
  361   2HD   PRO  28          1HD       PRO  49  -8.408   1.950  -0.592
  362    H    LYS  29           H        LYS  50 -11.528   6.618  -0.187
  363    HA   LYS  29           HA       LYS  50 -10.676   7.904  -2.709
  364   1HB   LYS  29          2HB       LYS  50 -13.232   6.524  -2.259
  365   2HB   LYS  29          1HB       LYS  50 -13.407   8.153  -2.907
  366   1HG   LYS  29          2HG       LYS  50 -11.528   6.094  -4.089
  367   2HG   LYS  29          1HG       LYS  50 -13.177   6.340  -4.665
  368   1HD   LYS  29          2HD       LYS  50 -12.594   8.780  -4.995
  369   2HD   LYS  29          1HD       LYS  50 -10.917   8.355  -4.656
  370   1HE   LYS  29          2HE       LYS  50 -10.782   7.974  -6.907
  371   2HE   LYS  29          1HE       LYS  50 -11.632   6.459  -6.540
  372   1HZ   LYS  29          3HZ       LYS  50 -13.661   8.164  -6.525
  373   2HZ   LYS  29          2HZ       LYS  50 -12.667   8.939  -7.665
  374   3HZ   LYS  29          1HZ       LYS  50 -13.171   7.337  -7.921
  375    H    THR  30           HN       THR  51  -9.928   9.076  -0.543
  376    HA   THR  30           HA       THR  51 -12.046  10.837   0.571
  377    HB   THR  30           HB       THR  51  -9.429  11.391   1.580
  378    HG1  THR  30           HG1      THR  51  -8.485   9.531   1.558
  379   1HG2  THR  30          2HG2      THR  51 -11.811   9.856   2.641
  380   2HG2  THR  30          1HG2      THR  51 -10.409  10.280   3.626
  381   3HG2  THR  30          3HG2      THR  51 -11.417  11.550   2.928
   
  No H/Q in entry =         381
  Start of MODEL    2
    1   1H    GLY   1          2H        GLY   1  -6.201   3.607   2.100
    2   2H    GLY   1          1H        GLY   1  -7.817   4.084   2.320
    3   3H    GLY   1          3H        GLY   1  -7.465   2.537   1.722
    4   1HA   GLY   1          2HA       GLY   1  -7.473   3.269  -0.349
    5   2HA   GLY   1          1HA       GLY   1  -7.924   4.860   0.265
    6    H    ILE   2           H        ILE   2  -5.245   2.847  -0.768
    7    HA   ILE   2           HA       ILE   2  -3.265   4.995  -0.310
    8    HB   ILE   2           HB       ILE   2  -2.826   2.587   0.105
    9   1HG1  ILE   2          2HG1      ILE   2  -0.737   2.418  -1.417
   10   2HG1  ILE   2          1HG1      ILE   2  -1.201   4.023  -1.965
   11   1HG2  ILE   2          2HG2      ILE   2  -3.701   2.408  -2.703
   12   2HG2  ILE   2          1HG2      ILE   2  -2.370   1.356  -2.217
   13   3HG2  ILE   2          3HG2      ILE   2  -3.916   1.270  -1.372
   14   1HD1  ILE   2          1HD1      ILE   2  -0.929   3.349   0.963
   15   2HD1  ILE   2          3HD1      ILE   2   0.428   3.939   0.003
   16   3HD1  ILE   2          2HD1      ILE   2  -1.004   4.947   0.221
   17    H    VAL   3           H        VAL   3  -5.471   5.532  -2.184
   18    HA   VAL   3           HA       VAL   3  -4.221   5.398  -4.874
   19    HB   VAL   3           HB       VAL   3  -6.448   6.355  -5.524
   20   1HG1  VAL   3          3HG1      VAL   3  -5.872   3.825  -4.959
   21   2HG1  VAL   3          2HG1      VAL   3  -7.025   4.092  -3.652
   22   3HG1  VAL   3          1HG1      VAL   3  -7.525   4.314  -5.328
   23   1HG2  VAL   3          1HG2      VAL   3  -6.472   7.107  -2.800
   24   2HG2  VAL   3          3HG2      VAL   3  -7.760   7.346  -3.981
   25   3HG2  VAL   3          2HG2      VAL   3  -7.742   5.896  -2.977
   26    H    GLU   4           H        GLU   4  -4.356   7.515  -2.215
   27    HA   GLU   4           HA       GLU   4  -3.827   9.904  -3.930
   28   1HB   GLU   4          2HB       GLU   4  -4.664  11.176  -2.135
   29   2HB   GLU   4          1HB       GLU   4  -5.656   9.722  -2.073
   30   1HG   GLU   4          2HG       GLU   4  -3.120  10.017  -0.441
   31   2HG   GLU   4          1HG       GLU   4  -4.694  10.526   0.155
   32    H    GLN   5           H        GLN   5  -2.283   7.581  -1.963
   33    HA   GLN   5           HA       GLN   5  -0.086   9.385  -1.183
   34   1HB   GLN   5          2HB       GLN   5  -0.327   7.981   0.564
   35   2HB   GLN   5          1HB       GLN   5  -1.203   6.788  -0.383
   36   1HG   GLN   5          2HG       GLN   5   0.720   5.606  -0.893
   37   2HG   GLN   5          1HG       GLN   5   1.731   7.052  -0.895
   38   1HE2  GLN   5          2HE2      GLN   5   2.285   6.981   2.653
   39   2HE2  GLN   5          1HE2      GLN   5   2.174   8.032   1.326
   40    H    CYS   6           H        CYS   6   0.111   6.094  -2.735
   41    HA   CYS   6           HA       CYS   6   2.663   6.696  -3.866
   42   1HB   CYS   6          2HB       CYS   6   0.842   4.650  -5.124
   43   2HB   CYS   6          1HB       CYS   6   2.565   4.582  -4.824
   44    H    CYS   7           H        CYS   7  -0.507   7.634  -5.055
   45    HA   CYS   7           HA       CYS   7   0.580   7.929  -7.801
   46   1HB   CYS   7          2HB       CYS   7  -1.808   7.323  -7.183
   47   2HB   CYS   7          1HB       CYS   7  -1.982   8.948  -6.600
   48    H    THR   8           H        THR   8  -0.729  10.072  -5.294
   49    HA   THR   8           HA       THR   8   0.425  12.457  -6.588
   50    HB   THR   8           HB       THR   8  -1.195  11.876  -4.098
   51    HG1  THR   8           HG1      THR   8  -2.553  13.373  -5.593
   52   1HG2  THR   8          1HG2      THR   8   0.005  14.437  -5.122
   53   2HG2  THR   8          3HG2      THR   8  -1.520  14.468  -4.235
   54   3HG2  THR   8          2HG2      THR   8  -0.065  13.831  -3.467
   55    H    SER   9           H        SER   9   2.119  10.205  -5.319
   56    HA   SER   9           HA       SER   9   4.218  11.804  -4.241
   57   1HB   SER   9          2HB       SER   9   2.644  12.188  -2.412
   58   2HB   SER   9          1HB       SER   9   2.373  10.457  -2.240
   59    HG   SER   9           HG       SER   9   4.445  12.039  -1.364
   60    H    ILE  10           H        ILE  10   5.402   9.995  -2.466
   61    HA   ILE  10           HA       ILE  10   5.642   7.523  -4.151
   62    HB   ILE  10           HB       ILE  10   7.663   9.107  -2.543
   63   1HG1  ILE  10          2HG1      ILE  10   8.330   8.661  -5.305
   64   2HG1  ILE  10          1HG1      ILE  10   6.706   9.345  -5.210
   65   1HG2  ILE  10          2HG2      ILE  10   8.075   6.666  -2.434
   66   2HG2  ILE  10          1HG2      ILE  10   8.047   6.596  -4.195
   67   3HG2  ILE  10          3HG2      ILE  10   9.318   7.497  -3.368
   68   1HD1  ILE  10          2HD1      ILE  10   7.628  11.098  -3.645
   69   2HD1  ILE  10          1HD1      ILE  10   9.241  10.481  -4.000
   70   3HD1  ILE  10          3HD1      ILE  10   8.266  11.188  -5.287
   71    H    CYS  11           H        CYS  11   5.040   5.699  -3.063
   72    HA   CYS  11           HA       CYS  11   5.250   5.707  -0.063
   73   1HB   CYS  11          2HB       CYS  11   3.237   4.389  -0.043
   74   2HB   CYS  11          1HB       CYS  11   2.956   5.684  -1.185
   75    H    SER  12           H        SER  12   5.966   3.654   0.903
   76    HA   SER  12           HA       SER  12   7.722   2.136  -0.961
   77   1HB   SER  12          2HB       SER  12   8.253   1.308   1.615
   78   2HB   SER  12          1HB       SER  12   9.101   2.574   0.749
   79    HG   SER  12           HG       SER  12   8.227   3.960   2.072
   80    H    LEU  13           H        LEU  13   8.152  -0.150   0.086
   81    HA   LEU  13           HA       LEU  13   5.779  -1.726  -0.466
   82   1HB   LEU  13          2HB       LEU  13   7.827  -2.663  -1.136
   83   2HB   LEU  13          1HB       LEU  13   8.630  -2.221   0.368
   84    HG   LEU  13           HG       LEU  13   6.324  -4.123   0.508
   85   1HD1  LEU  13          1HD1      LEU  13   8.552  -4.581  -1.191
   86   2HD1  LEU  13          3HD1      LEU  13   8.798  -5.571   0.249
   87   3HD1  LEU  13          2HD1      LEU  13   7.319  -5.743  -0.696
   88   1HD2  LEU  13          1HD2      LEU  13   8.818  -3.460   2.034
   89   2HD2  LEU  13          3HD2      LEU  13   7.173  -3.685   2.627
   90   3HD2  LEU  13          2HD2      LEU  13   8.149  -5.085   2.181
   91    H    TYR  14           H        TYR  14   7.334  -0.590   2.459
   92    HA   TYR  14           HA       TYR  14   5.746  -2.377   4.175
   93   1HB   TYR  14          2HB       TYR  14   8.119  -1.520   4.621
   94   2HB   TYR  14          1HB       TYR  14   7.381   0.047   4.958
   95    HD1  TYR  14           HD2      TYR  14   5.719   0.281   6.809
   96    HD2  TYR  14           HD1      TYR  14   7.935  -3.348   6.175
   97    HE1  TYR  14           HE2      TYR  14   5.135  -0.476   9.102
   98    HE2  TYR  14           HE1      TYR  14   7.352  -4.104   8.465
   99    HH   TYR  14           HH       TYR  14   5.141  -2.234  10.514
  100    H    GLN  15           H        GLN  15   5.622   0.823   2.800
  101    HA   GLN  15           HA       GLN  15   3.564   1.855   4.596
  102   1HB   GLN  15          2HB       GLN  15   5.219   2.709   2.360
  103   2HB   GLN  15          1HB       GLN  15   3.551   3.232   2.124
  104   1HG   GLN  15          2HG       GLN  15   3.543   4.230   4.381
  105   2HG   GLN  15          1HG       GLN  15   5.211   3.708   4.616
  106   1HE2  GLN  15          2HE2      GLN  15   6.346   6.731   3.219
  107   2HE2  GLN  15          1HE2      GLN  15   6.469   5.585   4.465
  108    H    LEU  16           H        LEU  16   3.704   0.371   1.361
  109    HA   LEU  16           HA       LEU  16   0.816   0.425   0.961
  110   1HB   LEU  16          2HB       LEU  16   2.823   0.311  -0.714
  111   2HB   LEU  16          1HB       LEU  16   2.809  -1.418  -0.359
  112    HG   LEU  16           HG       LEU  16   0.155  -0.959  -0.799
  113   1HD1  LEU  16          2HD1      LEU  16   0.949   1.427  -1.498
  114   2HD1  LEU  16          1HD1      LEU  16   1.535   0.628  -2.957
  115   3HD1  LEU  16          3HD1      LEU  16  -0.180   0.577  -2.551
  116   1HD2  LEU  16          2HD2      LEU  16   2.449  -2.038  -2.287
  117   2HD2  LEU  16          1HD2      LEU  16   0.853  -2.738  -2.019
  118   3HD2  LEU  16          3HD2      LEU  16   1.098  -1.570  -3.318
  119    H    GLU  17           H        GLU  17   3.073  -1.478   2.707
  120    HA   GLU  17           HA       GLU  17   1.972  -4.074   2.729
  121   1HB   GLU  17          2HB       GLU  17   3.966  -2.710   3.965
  122   2HB   GLU  17          1HB       GLU  17   2.826  -2.861   5.300
  123   1HG   GLU  17          2HG       GLU  17   3.141  -5.330   3.749
  124   2HG   GLU  17          1HG       GLU  17   4.616  -4.789   4.539
  125    H    ASN  18           H        ASN  18   0.948  -1.123   4.356
  126    HA   ASN  18           HA       ASN  18  -0.957  -2.336   6.147
  127   1HB   ASN  18          2HB       ASN  18  -0.734   0.448   4.964
  128   2HB   ASN  18          1HB       ASN  18  -1.685   0.020   6.389
  129   1HD2  ASN  18          2HD2      ASN  18   1.398  -0.793   8.268
  130   2HD2  ASN  18          1HD2      ASN  18  -0.063  -1.569   7.893
  131    H    TYR  19           H        TYR  19  -1.303  -3.295   3.342
  132    HA   TYR  19           HA       TYR  19  -4.157  -2.485   3.046
  133   1HB   TYR  19          2HB       TYR  19  -1.944  -2.441   0.984
  134   2HB   TYR  19          1HB       TYR  19  -3.649  -2.466   0.520
  135    HD1  TYR  19           HD2      TYR  19  -5.146  -0.588   1.090
  136    HD2  TYR  19           HD1      TYR  19  -0.966  -0.498   2.088
  137    HE1  TYR  19           HE2      TYR  19  -5.314   1.832   1.586
  138    HE2  TYR  19           HE1      TYR  19  -1.134   1.918   2.580
  139    HH   TYR  19           HH       TYR  19  -3.131   3.501   3.343
  140    H    CYS  20           H        CYS  20  -1.632  -4.924   2.599
  141    HA   CYS  20           HA       CYS  20  -3.657  -6.866   1.613
  142   1HB   CYS  20          2HB       CYS  20  -1.620  -8.255   1.239
  143   2HB   CYS  20          1HB       CYS  20  -1.524  -6.690   0.436
  144    H    ASN  21           HN       ASN  21  -3.128  -9.190   2.624
  145    HA   ASN  21           HA       ASN  21  -3.268 -10.564   4.538
  146   1HB   ASN  21          2HB       ASN  21  -1.310  -8.425   5.041
  147   2HB   ASN  21          1HB       ASN  21  -1.976  -9.129   6.516
  148   1HD2  ASN  21          2HD2      ASN  21   0.895 -11.281   5.588
  149   2HD2  ASN  21          1HD2      ASN  21   0.672  -9.689   6.132
  150   1H    PHE   1          2H        PHE  22  14.791   1.201   2.332
  151   2H    PHE   1          1H        PHE  22  16.255   0.540   1.779
  152   3H    PHE   1          3H        PHE  22  16.004   2.217   1.716
  153    HA   PHE   1           HA       PHE  22  15.743   1.223  -0.491
  154   1HB   PHE   1          2HB       PHE  22  15.017  -0.950   0.688
  155   2HB   PHE   1          1HB       PHE  22  13.409  -0.231   0.772
  156    HD1  PHE   1           HD1      PHE  22  16.070  -1.426  -1.512
  157    HD2  PHE   1           HD2      PHE  22  12.041   0.035  -1.197
  158    HE1  PHE   1           HE1      PHE  22  15.645  -2.093  -3.864
  159    HE2  PHE   1           HE2      PHE  22  11.616  -0.632  -3.549
  160    HZ   PHE   1           HZ       PHE  22  13.418  -1.695  -4.882
  161    H    VAL   2           H        VAL  23  14.377   2.409  -1.890
  162    HA   VAL   2           HA       VAL  23  12.232   4.025  -0.557
  163    HB   VAL   2           HB       VAL  23  12.907   5.730  -2.326
  164   1HG1  VAL   2          2HG1      VAL  23  13.761   5.534   0.136
  165   2HG1  VAL   2          1HG1      VAL  23  15.268   4.996  -0.605
  166   3HG1  VAL   2          3HG1      VAL  23  14.626   6.595  -0.977
  167   1HG2  VAL   2          2HG2      VAL  23  14.030   3.940  -3.756
  168   2HG2  VAL   2          1HG2      VAL  23  14.972   5.411  -3.511
  169   3HG2  VAL   2          3HG2      VAL  23  15.351   3.958  -2.587
  170    H    ASN   3           H        ASN  24  11.110   5.133  -2.796
  171    HA   ASN   3           HA       ASN  24  10.535   3.097  -4.829
  172   1HB   ASN   3          2HB       ASN  24   9.298   2.547  -2.619
  173   2HB   ASN   3          1HB       ASN  24   8.288   3.943  -2.993
  174   1HD2  ASN   3          2HD2      ASN  24   8.189   0.949  -5.817
  175   2HD2  ASN   3          1HD2      ASN  24   9.684   1.435  -5.178
  176    H    GLN   4           H        GLN  25   8.283   4.020  -5.962
  177    HA   GLN   4           HA       GLN  25   8.701   6.972  -6.319
  178   1HB   GLN   4          2HB       GLN  25   9.588   5.337  -8.075
  179   2HB   GLN   4          1HB       GLN  25   7.914   4.908  -8.414
  180   1HG   GLN   4          2HG       GLN  25   7.520   6.869  -9.518
  181   2HG   GLN   4          1HG       GLN  25   8.476   7.815  -8.379
  182   1HE2  GLN   4          2HE2      GLN  25  11.590   7.087 -10.143
  183   2HE2  GLN   4          1HE2      GLN  25  10.996   7.174  -8.555
  184    H    HIS   5           H        HIS  26   6.441   7.329  -8.064
  185    HA   HIS   5           HA       HIS  26   4.251   7.023  -6.119
  186   1HB   HIS   5          2HB       HIS  26   3.931   8.292  -8.830
  187   2HB   HIS   5          1HB       HIS  26   3.219   8.763  -7.302
  188    HD1  HIS   5           HD1      HIS  26   4.260  10.687  -6.150
  189    HD2  HIS   5           HD2      HIS  26   6.907   8.940  -8.854
  190    HE1  HIS   5           HE1      HIS  26   6.345  12.117  -6.131
  191    H    LEU   6           H        LEU  27   2.613   5.500  -6.413
  192    HA   LEU   6           HA       LEU  27   2.831   3.789  -8.825
  193   1HB   LEU   6          2HB       LEU  27   1.698   3.303  -6.073
  194   2HB   LEU   6          1HB       LEU  27   1.831   2.085  -7.326
  195    HG   LEU   6           HG       LEU  27   4.231   3.639  -6.372
  196   1HD1  LEU   6          2HD1      LEU  27   3.008   2.388  -4.493
  197   2HD1  LEU   6          1HD1      LEU  27   3.404   0.908  -5.366
  198   3HD1  LEU   6          3HD1      LEU  27   4.694   1.943  -4.756
  199   1HD2  LEU   6          2HD2      LEU  27   3.756   1.025  -7.815
  200   2HD2  LEU   6          1HD2      LEU  27   4.522   2.477  -8.458
  201   3HD2  LEU   6          3HD2      LEU  27   5.336   1.528  -7.214
  202    H    CYS   7           H        CYS  28   1.060   6.241  -8.751
  203    HA   CYS   7           HA       CYS  28  -1.507   6.351  -8.507
  204   1HB   CYS   7          2HB       CYS  28  -0.123   6.131 -11.165
  205   2HB   CYS   7          1HB       CYS  28  -1.804   6.651 -11.014
  206    H    GLY   8           H        GLY  29  -3.096   5.012  -8.130
  207   1HA   GLY   8          2HA       GLY  29  -3.802   2.662  -7.880
  208   2HA   GLY   8          1HA       GLY  29  -4.731   3.403  -9.161
  209    H    SER   9           H        SER  30  -3.440   3.133 -11.485
  210    HA   SER   9           HA       SER  30  -3.374   0.380 -12.044
  211   1HB   SER   9          2HB       SER  30  -2.901   2.900 -13.338
  212   2HB   SER   9          1HB       SER  30  -1.661   1.757 -13.847
  213    HG   SER   9           HG       SER  30  -4.221   1.886 -14.578
  214    H    HIS  10           H        HIS  31  -0.770   2.523 -10.995
  215    HA   HIS  10           HA       HIS  31   1.283   0.454 -11.436
  216   1HB   HIS  10          2HB       HIS  31   1.064   3.266 -10.502
  217   2HB   HIS  10          1HB       HIS  31   2.370   2.332  -9.776
  218    HD1  HIS  10           HD1      HIS  31   1.046   2.213 -13.351
  219    HD2  HIS  10           HD2      HIS  31   4.572   3.051 -11.288
  220    HE1  HIS  10           HE1      HIS  31   2.833   2.597 -15.107
  221    H    LEU  11           H        LEU  32  -0.638   1.829  -8.822
  222    HA   LEU  11           HA       LEU  32   0.548   0.397  -6.650
  223   1HB   LEU  11          2HB       LEU  32  -2.078   1.689  -7.266
  224   2HB   LEU  11          1HB       LEU  32  -1.970   0.665  -5.839
  225    HG   LEU  11           HG       LEU  32  -0.086   2.954  -6.435
  226   1HD1  LEU  11          3HD1      LEU  32  -2.370   3.705  -5.832
  227   2HD1  LEU  11          2HD1      LEU  32  -2.309   2.690  -4.391
  228   3HD1  LEU  11          1HD1      LEU  32  -1.211   4.062  -4.551
  229   1HD2  LEU  11          2HD2      LEU  32   0.087   0.638  -4.778
  230   2HD2  LEU  11          1HD2      LEU  32   1.219   1.986  -4.875
  231   3HD2  LEU  11          3HD2      LEU  32  -0.118   2.038  -3.726
  232    H    VAL  12           H        VAL  33  -2.431  -0.353  -8.573
  233    HA   VAL  12           HA       VAL  33  -2.950  -2.785  -7.336
  234    HB   VAL  12           HB       VAL  33  -3.512  -1.443  -9.895
  235   1HG1  VAL  12          3HG1      VAL  33  -3.714  -4.442  -9.630
  236   2HG1  VAL  12          2HG1      VAL  33  -4.668  -3.520 -10.792
  237   3HG1  VAL  12          1HG1      VAL  33  -2.907  -3.524 -10.901
  238   1HG2  VAL  12          2HG2      VAL  33  -5.106  -2.953  -7.825
  239   2HG2  VAL  12          1HG2      VAL  33  -5.067  -1.210  -8.095
  240   3HG2  VAL  12          3HG2      VAL  33  -5.832  -2.270  -9.279
  241    H    GLU  13           H        GLU  34  -0.451  -1.929  -9.637
  242    HA   GLU  13           HA       GLU  34   0.279  -4.767 -10.041
  243   1HB   GLU  13          2HB       GLU  34   1.402  -3.975 -11.903
  244   2HB   GLU  13          1HB       GLU  34   0.252  -2.662 -11.702
  245   1HG   GLU  13          2HG       GLU  34   2.036  -1.282 -11.634
  246   2HG   GLU  13          1HG       GLU  34   2.384  -1.943 -10.044
  247    H    ALA  14           H        ALA  35   1.146  -2.108  -7.998
  248    HA   ALA  14           HA       ALA  35   3.769  -3.355  -7.314
  249   1HB   ALA  14          1HB       ALA  35   2.872  -0.734  -7.625
  250   2HB   ALA  14          3HB       ALA  35   2.889  -0.941  -5.874
  251   3HB   ALA  14          2HB       ALA  35   4.362  -1.204  -6.807
  252    H    LEU  15           H        LEU  36   0.502  -3.108  -6.327
  253    HA   LEU  15           HA       LEU  36   1.096  -3.799  -3.513
  254   1HB   LEU  15          2HB       LEU  36  -0.602  -2.231  -3.720
  255   2HB   LEU  15          1HB       LEU  36  -1.129  -2.878  -5.229
  256    HG   LEU  15           HG       LEU  36  -2.421  -4.555  -4.277
  257   1HD1  LEU  15          1HD1      LEU  36  -0.346  -4.507  -2.256
  258   2HD1  LEU  15          3HD1      LEU  36  -1.931  -4.458  -1.486
  259   3HD1  LEU  15          2HD1      LEU  36  -1.529  -5.772  -2.591
  260   1HD2  LEU  15          1HD2      LEU  36  -3.023  -2.050  -3.685
  261   2HD2  LEU  15          3HD2      LEU  36  -3.940  -3.377  -2.971
  262   3HD2  LEU  15          2HD2      LEU  36  -2.677  -2.576  -2.036
  263    H    TYR  16           H        TYR  37   0.184  -5.226  -6.569
  264    HA   TYR  16           HA       TYR  37  -0.704  -7.772  -5.381
  265   1HB   TYR  16          2HB       TYR  37  -1.550  -7.944  -7.489
  266   2HB   TYR  16          1HB       TYR  37  -0.776  -6.427  -7.901
  267    HD1  TYR  16           HD1      TYR  37  -0.012 -10.088  -7.543
  268    HD2  TYR  16           HD2      TYR  37   0.940  -6.396  -9.525
  269    HE1  TYR  16           HE1      TYR  37   1.551 -11.291  -9.043
  270    HE2  TYR  16           HE2      TYR  37   2.496  -7.601 -11.026
  271    HH   TYR  16           HH       TYR  37   2.550 -10.974 -11.298
  272    H    LEU  17           H        LEU  38   2.169  -6.389  -6.957
  273    HA   LEU  17           HA       LEU  38   3.708  -8.811  -6.991
  274   1HB   LEU  17          2HB       LEU  38   3.979  -6.090  -7.714
  275   2HB   LEU  17          1HB       LEU  38   5.239  -6.363  -6.570
  276    HG   LEU  17           HG       LEU  38   6.509  -7.186  -8.201
  277   1HD1  LEU  17          2HD1      LEU  38   5.555  -9.362  -7.284
  278   2HD1  LEU  17          1HD1      LEU  38   4.485  -9.376  -8.686
  279   3HD1  LEU  17          3HD1      LEU  38   6.233  -9.445  -8.910
  280   1HD2  LEU  17          3HD2      LEU  38   3.967  -7.094  -9.814
  281   2HD2  LEU  17          2HD2      LEU  38   5.355  -6.014  -9.901
  282   3HD2  LEU  17          1HD2      LEU  38   5.484  -7.667 -10.502
  283    H    VAL  18           H        VAL  39   3.099  -6.245  -4.687
  284    HA   VAL  18           HA       VAL  39   5.285  -7.097  -3.012
  285    HB   VAL  18           HB       VAL  39   4.416  -4.721  -3.506
  286   1HG1  VAL  18          2HG1      VAL  39   2.031  -5.437  -2.826
  287   2HG1  VAL  18          1HG1      VAL  39   2.602  -5.301  -1.163
  288   3HG1  VAL  18          3HG1      VAL  39   2.612  -3.888  -2.217
  289   1HG2  VAL  18          2HG2      VAL  39   5.384  -5.896  -0.965
  290   2HG2  VAL  18          1HG2      VAL  39   6.063  -4.583  -1.927
  291   3HG2  VAL  18          3HG2      VAL  39   4.713  -4.270  -0.835
  292    H    CYS  19           H        CYS  40   1.828  -7.565  -3.143
  293    HA   CYS  19           HA       CYS  40   1.967  -9.310  -0.718
  294   1HB   CYS  19          2HB       CYS  40   0.671  -6.686  -1.058
  295   2HB   CYS  19          1HB       CYS  40  -0.386  -7.928  -0.397
  296    H    GLY  20           H        GLY  41   1.728 -10.417  -3.277
  297   1HA   GLY  20          2HA       GLY  41  -1.136 -10.604  -3.934
  298   2HA   GLY  20          1HA       GLY  41   0.191 -11.331  -4.837
  299    H    GLU  21           H        GLU  42  -0.989 -13.369  -4.831
  300    HA   GLU  21           HA       GLU  42  -1.698 -15.427  -3.889
  301   1HB   GLU  21          2HB       GLU  42   0.899 -14.698  -2.508
  302   2HB   GLU  21          1HB       GLU  42   0.156 -16.291  -2.353
  303   1HG   GLU  21          2HG       GLU  42   0.086 -16.046  -5.036
  304   2HG   GLU  21          1HG       GLU  42   1.501 -15.048  -4.697
  305    H    ARG  22           H        ARG  43  -3.070 -13.301  -2.764
  306    HA   ARG  22           HA       ARG  43  -4.112 -14.380  -0.346
  307   1HB   ARG  22          2HB       ARG  43  -1.628 -13.352   0.066
  308   2HB   ARG  22          1HB       ARG  43  -2.608 -11.917   0.358
  309   1HG   ARG  22          2HG       ARG  43  -2.894 -12.736   2.448
  310   2HG   ARG  22          1HG       ARG  43  -4.004 -13.886   1.706
  311   1HD   ARG  22          2HD       ARG  43  -2.501 -15.629   1.851
  312   2HD   ARG  22          1HD       ARG  43  -1.098 -14.571   1.605
  313    HE   ARG  22           HE       ARG  43  -1.118 -14.047   3.938
  314   1HH1  ARG  22          2HH1      ARG  43  -3.095 -13.459   5.416
  315   2HH1  ARG  22          1HH1      ARG  43  -3.950 -14.870   5.942
  316   1HH2  ARG  22          1HH2      ARG  43  -2.542 -16.941   3.544
  317   2HH2  ARG  22          2HH2      ARG  43  -3.640 -16.840   4.879
  318    H    GLY  23           H        GLY  44  -3.620 -11.685  -2.491
  319   1HA   GLY  23          2HA       GLY  44  -5.136 -10.043  -3.224
  320   2HA   GLY  23          1HA       GLY  44  -6.400 -10.902  -2.339
  321    H    PHE  24           H        PHE  45  -6.537  -8.204  -2.189
  322    HA   PHE  24           HA       PHE  45  -5.854  -7.703   0.653
  323   1HB   PHE  24          2HB       PHE  45  -4.994  -5.388  -0.207
  324   2HB   PHE  24          1HB       PHE  45  -3.930  -6.785  -0.347
  325    HD1  PHE  24           HD1      PHE  45  -6.368  -4.676  -2.219
  326    HD2  PHE  24           HD2      PHE  45  -3.217  -7.589  -2.471
  327    HE1  PHE  24           HE1      PHE  45  -6.274  -4.362  -4.682
  328    HE2  PHE  24           HE2      PHE  45  -3.124  -7.274  -4.933
  329    HZ   PHE  24           HZ       PHE  45  -4.653  -5.662  -6.036
  330    H    PHE  25           H        PHE  46  -6.655  -5.169   0.946
  331    HA   PHE  25           HA       PHE  46  -9.424  -5.099  -0.205
  332   1HB   PHE  25          2HB       PHE  46  -9.268  -5.697   2.203
  333   2HB   PHE  25          1HB       PHE  46  -8.409  -4.185   2.507
  334    HD1  PHE  25           HD1      PHE  46 -11.325  -4.935   0.288
  335    HD2  PHE  25           HD2      PHE  46  -9.873  -2.799   3.722
  336    HE1  PHE  25           HE1      PHE  46 -13.489  -3.736   0.455
  337    HE2  PHE  25           HE2      PHE  46 -12.038  -1.597   3.889
  338    HZ   PHE  25           HZ       PHE  46 -13.846  -2.066   2.253
  339    H    TYR  26           H        TYR  47  -8.595  -3.697  -1.933
  340    HA   TYR  26           HA       TYR  47  -8.450  -0.864  -1.075
  341   1HB   TYR  26          2HB       TYR  47  -6.181  -0.938  -1.218
  342   2HB   TYR  26          1HB       TYR  47  -6.218  -2.544  -1.941
  343    HD1  TYR  26           HD1      TYR  47  -7.190   0.951  -2.900
  344    HD2  TYR  26           HD2      TYR  47  -5.294  -2.721  -4.066
  345    HE1  TYR  26           HE1      TYR  47  -6.670   1.930  -5.116
  346    HE2  TYR  26           HE2      TYR  47  -4.773  -1.746  -6.287
  347    HH   TYR  26           HH       TYR  47  -4.933   1.529  -6.939
  348    H    THR  27           H        THR  48 -10.211  -0.152  -2.276
  349    HA   THR  27           HA       THR  48 -10.047  -0.276  -5.214
  350    HB   THR  27           HB       THR  48 -11.046  -2.384  -4.947
  351    HG1  THR  27           HG1      THR  48 -12.859  -2.009  -5.952
  352   1HG2  THR  27          1HG2      THR  48 -12.443  -1.123  -2.593
  353   2HG2  THR  27          3HG2      THR  48 -13.007  -2.644  -3.285
  354   3HG2  THR  27          2HG2      THR  48 -11.378  -2.529  -2.615
  355    HA   PRO  28           HA       PRO  49 -12.547   3.155  -3.025
  356   1HB   PRO  28          2HB       PRO  49 -10.720   5.187  -3.228
  357   2HB   PRO  28          1HB       PRO  49 -10.830   4.119  -1.813
  358   1HG   PRO  28          2HG       PRO  49  -8.951   4.002  -4.127
  359   2HG   PRO  28          1HG       PRO  49  -8.626   3.768  -2.400
  360   1HD   PRO  28          2HD       PRO  49  -8.870   1.698  -4.109
  361   2HD   PRO  28          1HD       PRO  49  -9.387   1.597  -2.410
  362    H    LYS  29           H        LYS  50 -11.091   2.412  -5.961
  363    HA   LYS  29           HA       LYS  50 -11.692   3.028  -8.166
  364   1HB   LYS  29          2HB       LYS  50 -13.822   3.832  -6.437
  365   2HB   LYS  29          1HB       LYS  50 -13.567   5.124  -7.610
  366   1HG   LYS  29          2HG       LYS  50 -14.312   3.860  -9.340
  367   2HG   LYS  29          1HG       LYS  50 -13.467   2.419  -8.769
  368   1HD   LYS  29          2HD       LYS  50 -15.742   1.848  -8.523
  369   2HD   LYS  29          1HD       LYS  50 -15.271   2.364  -6.903
  370   1HE   LYS  29          2HE       LYS  50 -16.029   4.750  -8.093
  371   2HE   LYS  29          1HE       LYS  50 -17.202   3.586  -8.743
  372   1HZ   LYS  29          3HZ       LYS  50 -16.441   3.679  -5.878
  373   2HZ   LYS  29          2HZ       LYS  50 -17.769   4.537  -6.501
  374   3HZ   LYS  29          1HZ       LYS  50 -17.737   2.840  -6.582
  375    H    THR  30           HN       THR  51 -10.987   4.638  -9.627
  376    HA   THR  30           HA       THR  51  -8.936   6.381  -8.978
  377    HB   THR  30           HB       THR  51 -10.998   7.171 -11.018
  378    HG1  THR  30           HG1      THR  51  -9.239   4.981 -11.335
  379   1HG2  THR  30          2HG2      THR  51  -7.978   6.919 -11.022
  380   2HG2  THR  30          1HG2      THR  51  -8.946   7.459 -12.393
  381   3HG2  THR  30          3HG2      THR  51  -8.901   8.418 -10.915
   
  No H/Q in entry =         381
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -5.323   7.429   1.381
    2   2H    GLY   1          3H        GLY   1  -6.876   7.195   2.021
    3   3H    GLY   1          2H        GLY   1  -5.510   6.962   3.003
    4   1HA   GLY   1          2HA       GLY   1  -5.744   4.810   2.518
    5   2HA   GLY   1          1HA       GLY   1  -6.752   5.170   1.116
    6    H    ILE   2           H        ILE   2  -5.230   3.340   0.309
    7    HA   ILE   2           HA       ILE   2  -2.492   4.120  -0.368
    8    HB   ILE   2           HB       ILE   2  -3.279   1.828   0.179
    9   1HG1  ILE   2          2HG1      ILE   2  -1.933   2.409  -2.436
   10   2HG1  ILE   2          1HG1      ILE   2  -1.248   1.770  -0.953
   11   1HG2  ILE   2          1HG2      ILE   2  -5.463   2.244  -1.167
   12   2HG2  ILE   2          3HG2      ILE   2  -4.518   1.682  -2.546
   13   3HG2  ILE   2          2HG2      ILE   2  -4.762   0.625  -1.154
   14   1HD1  ILE   2          3HD1      ILE   2  -2.779  -0.283  -1.375
   15   2HD1  ILE   2          2HD1      ILE   2  -2.906   0.338  -3.021
   16   3HD1  ILE   2          1HD1      ILE   2  -1.331  -0.111  -2.368
   17    H    VAL   3           H        VAL   3  -4.992   5.639  -1.514
   18    HA   VAL   3           HA       VAL   3  -4.402   5.245  -4.412
   19    HB   VAL   3           HB       VAL   3  -6.645   6.772  -3.059
   20   1HG1  VAL   3          3HG1      VAL   3  -6.025   5.903  -5.873
   21   2HG1  VAL   3          2HG1      VAL   3  -7.700   6.122  -5.367
   22   3HG1  VAL   3          1HG1      VAL   3  -6.573   7.477  -5.294
   23   1HG2  VAL   3          1HG2      VAL   3  -6.489   3.889  -3.996
   24   2HG2  VAL   3          3HG2      VAL   3  -6.797   4.456  -2.354
   25   3HG2  VAL   3          2HG2      VAL   3  -8.001   4.714  -3.616
   26    H    GLU   4           H        GLU   4  -4.169   7.533  -1.768
   27    HA   GLU   4           HA       GLU   4  -3.297   9.676  -3.666
   28   1HB   GLU   4          2HB       GLU   4  -3.704  10.095  -0.723
   29   2HB   GLU   4          1HB       GLU   4  -4.054  11.187  -2.060
   30   1HG   GLU   4          2HG       GLU   4  -5.766   9.140  -2.617
   31   2HG   GLU   4          1HG       GLU   4  -5.739   9.078  -0.854
   32    H    GLN   5           H        GLN   5  -1.940   7.272  -1.756
   33    HA   GLN   5           HA       GLN   5   0.301   8.908  -0.755
   34   1HB   GLN   5          2HB       GLN   5  -0.969   6.635   0.098
   35   2HB   GLN   5          1HB       GLN   5   0.471   5.950  -0.652
   36   1HG   GLN   5          2HG       GLN   5   1.129   6.376   1.575
   37   2HG   GLN   5          1HG       GLN   5   1.786   7.735   0.661
   38   1HE2  GLN   5          2HE2      GLN   5  -1.637   8.492   2.828
   39   2HE2  GLN   5          1HE2      GLN   5  -1.476   6.998   2.038
   40    H    CYS   6           H        CYS   6  -0.250   6.481  -3.331
   41    HA   CYS   6           HA       CYS   6   2.566   6.835  -4.210
   42   1HB   CYS   6          2HB       CYS   6   0.596   4.979  -5.544
   43   2HB   CYS   6          1HB       CYS   6   2.319   4.796  -5.305
   44    H    CYS   7           H        CYS   7  -0.677   6.943  -5.856
   45    HA   CYS   7           HA       CYS   7   0.363   8.117  -8.246
   46   1HB   CYS   7          2HB       CYS   7  -1.943   7.138  -7.684
   47   2HB   CYS   7          1HB       CYS   7  -2.305   8.687  -6.984
   48    H    THR   8           H        THR   8  -0.886   9.512  -5.292
   49    HA   THR   8           HA       THR   8  -0.312  12.270  -6.188
   50    HB   THR   8           HB       THR   8  -1.791  10.822  -4.020
   51    HG1  THR   8           HG1      THR   8  -3.435  11.683  -5.032
   52   1HG2  THR   8          2HG2      THR   8  -0.844  13.690  -3.905
   53   2HG2  THR   8          1HG2      THR   8  -2.315  13.173  -3.080
   54   3HG2  THR   8          3HG2      THR   8  -0.762  12.459  -2.646
   55    H    SER   9           H        SER   9   1.852  10.120  -5.339
   56    HA   SER   9           HA       SER   9   3.798  11.835  -4.271
   57   1HB   SER   9          2HB       SER   9   2.822  12.342  -2.265
   58   2HB   SER   9          1HB       SER   9   1.763  10.937  -2.318
   59    HG   SER   9           HG       SER   9   3.490  10.958  -0.673
   60    H    ILE  10           H        ILE  10   5.350  10.425  -2.639
   61    HA   ILE  10           HA       ILE  10   5.879   7.909  -4.134
   62    HB   ILE  10           HB       ILE  10   7.558   9.221  -1.988
   63   1HG1  ILE  10          2HG1      ILE  10   7.080  11.031  -3.492
   64   2HG1  ILE  10          1HG1      ILE  10   8.673  10.419  -3.946
   65   1HG2  ILE  10          1HG2      ILE  10   7.973   7.291  -4.239
   66   2HG2  ILE  10          3HG2      ILE  10   9.313   8.325  -3.747
   67   3HG2  ILE  10          2HG2      ILE  10   8.578   7.222  -2.584
   68   1HD1  ILE  10          2HD1      ILE  10   7.280   8.854  -5.540
   69   2HD1  ILE  10          1HD1      ILE  10   6.049  10.100  -5.357
   70   3HD1  ILE  10          3HD1      ILE  10   7.630  10.513  -6.023
   71    H    CYS  11           H        CYS  11   4.685   6.209  -3.194
   72    HA   CYS  11           HA       CYS  11   4.705   6.041  -0.199
   73   1HB   CYS  11          2HB       CYS  11   2.750   4.659  -0.441
   74   2HB   CYS  11          1HB       CYS  11   2.545   5.975  -1.567
   75    H    SER  12           H        SER  12   5.416   3.985   0.781
   76    HA   SER  12           HA       SER  12   7.436   2.650  -0.954
   77   1HB   SER  12          2HB       SER  12   7.776   1.757   1.631
   78   2HB   SER  12          1HB       SER  12   8.620   3.098   0.884
   79    HG   SER  12           HG       SER  12   6.607   3.064   2.767
   80    H    LEU  13           H        LEU  13   7.929   0.370  -0.112
   81    HA   LEU  13           HA       LEU  13   5.603  -1.284  -0.760
   82   1HB   LEU  13          2HB       LEU  13   7.395  -3.132  -0.201
   83   2HB   LEU  13          1HB       LEU  13   7.568  -2.158  -1.651
   84    HG   LEU  13           HG       LEU  13   9.220  -0.747  -0.587
   85   1HD1  LEU  13          1HD1      LEU  13   8.197  -2.084   1.876
   86   2HD1  LEU  13          3HD1      LEU  13   9.917  -1.701   1.827
   87   3HD1  LEU  13          2HD1      LEU  13   8.727  -0.418   1.636
   88   1HD2  LEU  13          2HD2      LEU  13   9.588  -3.715  -0.212
   89   2HD2  LEU  13          1HD2      LEU  13  10.232  -2.682  -1.488
   90   3HD2  LEU  13          3HD2      LEU  13  10.887  -2.576   0.146
   91    H    TYR  14           H        TYR  14   7.036  -0.097   2.118
   92    HA   TYR  14           HA       TYR  14   5.829  -2.199   3.817
   93   1HB   TYR  14          2HB       TYR  14   8.104  -1.013   4.158
   94   2HB   TYR  14          1HB       TYR  14   7.158   0.386   4.668
   95    HD1  TYR  14           HD1      TYR  14   7.709  -3.247   5.356
   96    HD2  TYR  14           HD2      TYR  14   6.259   0.514   6.853
   97    HE1  TYR  14           HE1      TYR  14   7.438  -4.246   7.608
   98    HE2  TYR  14           HE2      TYR  14   5.988  -0.489   9.107
   99    HH   TYR  14           HH       TYR  14   7.120  -3.760   9.807
  100    H    GLN  15           H        GLN  15   5.274   1.022   2.602
  101    HA   GLN  15           HA       GLN  15   3.129   1.685   4.481
  102   1HB   GLN  15          2HB       GLN  15   4.725   2.935   2.461
  103   2HB   GLN  15          1HB       GLN  15   3.039   3.159   1.999
  104   1HG   GLN  15          2HG       GLN  15   2.935   3.655   4.691
  105   2HG   GLN  15          1HG       GLN  15   4.528   4.288   4.280
  106   1HE2  GLN  15          2HE2      GLN  15   3.054   6.641   1.848
  107   2HE2  GLN  15          1HE2      GLN  15   4.292   5.480   1.871
  108    H    LEU  16           H        LEU  16   3.452   0.390   1.190
  109    HA   LEU  16           HA       LEU  16   0.582   0.143   0.724
  110   1HB   LEU  16          2HB       LEU  16   2.905   0.093  -0.771
  111   2HB   LEU  16          1HB       LEU  16   2.473  -1.616  -0.718
  112    HG   LEU  16           HG       LEU  16   0.091  -0.824  -1.355
  113   1HD1  LEU  16          2HD1      LEU  16   0.570   1.581  -0.907
  114   2HD1  LEU  16          1HD1      LEU  16   1.715   1.576  -2.246
  115   3HD1  LEU  16          3HD1      LEU  16   0.000   1.305  -2.554
  116   1HD2  LEU  16          2HD2      LEU  16   2.419  -1.449  -2.892
  117   2HD2  LEU  16          1HD2      LEU  16   0.729  -1.717  -3.322
  118   3HD2  LEU  16          3HD2      LEU  16   1.520  -0.203  -3.758
  119    H    GLU  17           H        GLU  17   3.011  -1.564   2.440
  120    HA   GLU  17           HA       GLU  17   2.210  -4.263   2.366
  121   1HB   GLU  17          2HB       GLU  17   4.063  -2.756   3.618
  122   2HB   GLU  17          1HB       GLU  17   2.952  -3.008   4.960
  123   1HG   GLU  17          2HG       GLU  17   4.297  -5.148   3.291
  124   2HG   GLU  17          1HG       GLU  17   4.563  -4.797   4.997
  125    H    ASN  18           H        ASN  18   0.842  -1.508   4.076
  126    HA   ASN  18           HA       ASN  18  -0.891  -3.000   5.837
  127   1HB   ASN  18          2HB       ASN  18  -0.446  -0.214   4.927
  128   2HB   ASN  18          1HB       ASN  18  -2.051  -0.559   5.572
  129   1HD2  ASN  18          2HD2      ASN  18  -0.306   0.251   8.635
  130   2HD2  ASN  18          1HD2      ASN  18  -1.166   0.978   7.365
  131    H    TYR  19           H        TYR  19  -1.129  -3.865   2.954
  132    HA   TYR  19           HA       TYR  19  -4.078  -3.531   2.768
  133   1HB   TYR  19          2HB       TYR  19  -2.029  -2.927   0.620
  134   2HB   TYR  19          1HB       TYR  19  -3.756  -3.085   0.300
  135    HD1  TYR  19           HD2      TYR  19  -5.378  -1.490   1.272
  136    HD2  TYR  19           HD1      TYR  19  -1.142  -0.999   1.790
  137    HE1  TYR  19           HE2      TYR  19  -5.739   0.855   1.995
  138    HE2  TYR  19           HE1      TYR  19  -1.501   1.347   2.511
  139    HH   TYR  19           HH       TYR  19  -4.766   2.650   2.968
  140    H    CYS  20           H        CYS  20  -1.322  -5.571   2.503
  141    HA   CYS  20           HA       CYS  20  -2.200  -7.460   0.555
  142   1HB   CYS  20          2HB       CYS  20  -0.655  -7.985   3.111
  143   2HB   CYS  20          1HB       CYS  20  -0.562  -8.898   1.608
  144    H    ASN  21           HN       ASN  21  -2.236  -8.087   4.076
  145    HA   ASN  21           HA       ASN  21  -4.207 -10.126   3.995
  146   1HB   ASN  21          2HB       ASN  21  -4.356  -9.597   6.448
  147   2HB   ASN  21          1HB       ASN  21  -2.694  -9.740   5.870
  148   1HD2  ASN  21          2HD2      ASN  21  -3.978  -6.229   7.402
  149   2HD2  ASN  21          1HD2      ASN  21  -4.948  -7.621   7.403
  150   1H    PHE   1          3H        PHE  22  10.105  -2.917  -8.137
  151   2H    PHE   1          2H        PHE  22   8.502  -3.128  -8.657
  152   3H    PHE   1          1H        PHE  22   9.493  -1.967  -9.402
  153    HA   PHE   1           HA       PHE  22   7.930  -0.900  -7.879
  154   1HB   PHE   1          2HB       PHE  22   7.480  -2.655  -6.365
  155   2HB   PHE   1          1HB       PHE  22   9.192  -2.991  -6.109
  156    HD1  PHE   1           HD1      PHE  22   6.729  -0.184  -5.690
  157    HD2  PHE   1           HD2      PHE  22  10.192  -2.214  -4.156
  158    HE1  PHE   1           HE1      PHE  22   6.740   1.325  -3.719
  159    HE2  PHE   1           HE2      PHE  22  10.203  -0.709  -2.185
  160    HZ   PHE   1           HZ       PHE  22   8.478   1.061  -1.966
  161    H    VAL   2           H        VAL  23   8.678   1.127  -7.196
  162    HA   VAL   2           HA       VAL  23  11.460   1.426  -6.243
  163    HB   VAL   2           HB       VAL  23  12.024   2.955  -8.086
  164   1HG1  VAL   2          3HG1      VAL  23  12.349   0.445  -8.297
  165   2HG1  VAL   2          2HG1      VAL  23  10.857   0.408  -9.235
  166   3HG1  VAL   2          1HG1      VAL  23  12.249   1.314  -9.828
  167   1HG2  VAL   2          2HG2      VAL  23   9.224   3.064  -8.392
  168   2HG2  VAL   2          1HG2      VAL  23  10.431   3.877  -9.390
  169   3HG2  VAL   2          3HG2      VAL  23   9.829   2.285  -9.854
  170    H    ASN   3           H        ASN  24  11.729   3.341  -5.056
  171    HA   ASN   3           HA       ASN  24   9.569   4.578  -3.770
  172   1HB   ASN   3          2HB       ASN  24  11.260   6.297  -3.193
  173   2HB   ASN   3          1HB       ASN  24  11.961   4.680  -3.124
  174   1HD2  ASN   3          2HD2      ASN  24  13.629   7.362  -5.561
  175   2HD2  ASN   3          1HD2      ASN  24  12.556   7.762  -4.308
  176    H    GLN   4           H        GLN  25   7.925   5.119  -5.391
  177    HA   GLN   4           HA       GLN  25   8.313   7.775  -6.594
  178   1HB   GLN   4          2HB       GLN  25   9.329   5.909  -8.063
  179   2HB   GLN   4          1HB       GLN  25   7.667   5.417  -8.381
  180   1HG   GLN   4          2HG       GLN  25   7.431   7.075  -9.891
  181   2HG   GLN   4          1HG       GLN  25   7.906   8.277  -8.690
  182   1HE2  GLN   4          2HE2      GLN  25  10.867   8.863 -10.501
  183   2HE2  GLN   4          1HE2      GLN  25   9.508   9.512  -9.718
  184    H    HIS   5           H        HIS  26   6.128   7.857  -8.284
  185    HA   HIS   5           HA       HIS  26   3.862   7.483  -6.426
  186   1HB   HIS   5          2HB       HIS  26   3.617   8.625  -9.195
  187   2HB   HIS   5          1HB       HIS  26   2.814   9.141  -7.737
  188    HD1  HIS   5           HD1      HIS  26   3.944  10.904  -6.303
  189    HD2  HIS   5           HD2      HIS  26   6.329   9.623  -9.471
  190    HE1  HIS   5           HE1      HIS  26   5.911  12.496  -6.401
  191    H    LEU   6           H        LEU  27   2.262   5.884  -6.813
  192    HA   LEU   6           HA       LEU  27   2.763   4.128  -9.161
  193   1HB   LEU   6          2HB       LEU  27   1.486   3.589  -6.478
  194   2HB   LEU   6          1HB       LEU  27   1.771   2.381  -7.708
  195    HG   LEU   6           HG       LEU  27   4.077   4.041  -6.769
  196   1HD1  LEU   6          1HD1      LEU  27   2.497   2.711  -4.930
  197   2HD1  LEU   6          3HD1      LEU  27   3.707   1.496  -5.343
  198   3HD1  LEU   6          2HD1      LEU  27   4.211   3.067  -4.720
  199   1HD2  LEU   6          3HD2      LEU  27   4.041   2.300  -8.680
  200   2HD2  LEU   6          2HD2      LEU  27   5.334   2.178  -7.486
  201   3HD2  LEU   6          1HD2      LEU  27   3.942   1.099  -7.394
  202    H    CYS   7           H        CYS  28   0.866   6.448  -9.275
  203    HA   CYS   7           HA       CYS  28  -1.729   6.366  -9.133
  204   1HB   CYS   7          2HB       CYS  28  -0.180   6.354 -11.699
  205   2HB   CYS   7          1HB       CYS  28  -1.898   6.757 -11.625
  206    H    GLY   8           H        GLY  29  -3.309   5.018  -9.002
  207   1HA   GLY   8          2HA       GLY  29  -3.975   2.670  -8.773
  208   2HA   GLY   8          1HA       GLY  29  -4.731   3.323 -10.204
  209    H    SER   9           H        SER  30  -3.138   2.977 -12.314
  210    HA   SER   9           HA       SER  30  -2.907   0.194 -12.670
  211   1HB   SER   9          2HB       SER  30  -2.386   2.645 -14.080
  212   2HB   SER   9          1HB       SER  30  -1.056   1.526 -14.366
  213    HG   SER   9           HG       SER  30  -3.779   0.768 -14.550
  214    H    HIS  10           H        HIS  31  -0.536   2.518 -11.470
  215    HA   HIS  10           HA       HIS  31   1.628   0.515 -11.541
  216   1HB   HIS  10          2HB       HIS  31   1.210   3.371 -10.820
  217   2HB   HIS  10          1HB       HIS  31   2.507   2.540  -9.967
  218    HD1  HIS  10           HD1      HIS  31   1.790   1.342 -13.393
  219    HD2  HIS  10           HD2      HIS  31   4.371   4.079 -11.597
  220    HE1  HIS  10           HE1      HIS  31   3.545   1.915 -15.127
  221    H    LEU  11           H        LEU  32  -0.602   1.995  -9.278
  222    HA   LEU  11           HA       LEU  32   0.331   0.822  -6.851
  223   1HB   LEU  11          2HB       LEU  32  -2.246   1.886  -7.949
  224   2HB   LEU  11          1HB       LEU  32  -2.269   1.056  -6.398
  225    HG   LEU  11           HG       LEU  32  -0.254   3.220  -6.942
  226   1HD1  LEU  11          1HD1      LEU  32  -3.014   3.645  -6.955
  227   2HD1  LEU  11          3HD1      LEU  32  -2.516   4.035  -5.309
  228   3HD1  LEU  11          2HD1      LEU  32  -1.771   4.865  -6.674
  229   1HD2  LEU  11          2HD2      LEU  32  -1.135   1.510  -4.729
  230   2HD2  LEU  11          1HD2      LEU  32   0.401   2.344  -4.963
  231   3HD2  LEU  11          3HD2      LEU  32  -0.983   3.212  -4.295
  232    H    VAL  12           H        VAL  33  -2.295  -0.250  -9.096
  233    HA   VAL  12           HA       VAL  33  -2.889  -2.588  -7.685
  234    HB   VAL  12           HB       VAL  33  -3.234  -1.472 -10.388
  235   1HG1  VAL  12          1HG1      VAL  33  -3.265  -4.446  -9.906
  236   2HG1  VAL  12          3HG1      VAL  33  -4.245  -3.704 -11.170
  237   3HG1  VAL  12          2HG1      VAL  33  -2.488  -3.560 -11.219
  238   1HG2  VAL  12          2HG2      VAL  33  -4.992  -2.936  -8.414
  239   2HG2  VAL  12          1HG2      VAL  33  -4.952  -1.199  -8.720
  240   3HG2  VAL  12          3HG2      VAL  33  -5.570  -2.297  -9.953
  241    H    GLU  13           H        GLU  34  -0.193  -1.780  -9.752
  242    HA   GLU  13           HA       GLU  34   0.679  -4.598  -9.955
  243   1HB   GLU  13          2HB       GLU  34   0.813  -2.505 -11.639
  244   2HB   GLU  13          1HB       GLU  34   2.362  -2.298 -10.824
  245   1HG   GLU  13          2HG       GLU  34   3.177  -4.366 -11.560
  246   2HG   GLU  13          1HG       GLU  34   1.560  -5.008 -11.851
  247    H    ALA  14           H        ALA  35   1.149  -1.903  -7.839
  248    HA   ALA  14           HA       ALA  35   3.764  -2.972  -6.868
  249   1HB   ALA  14          3HB       ALA  35   2.541  -0.398  -7.145
  250   2HB   ALA  14          2HB       ALA  35   2.748  -0.691  -5.418
  251   3HB   ALA  14          1HB       ALA  35   4.142  -0.757  -6.498
  252    H    LEU  15           H        LEU  36   0.398  -2.849  -6.231
  253    HA   LEU  15           HA       LEU  36   0.676  -3.576  -3.387
  254   1HB   LEU  15          2HB       LEU  36  -1.056  -2.103  -3.785
  255   2HB   LEU  15          1HB       LEU  36  -1.325  -2.714  -5.377
  256    HG   LEU  15           HG       LEU  36  -2.678  -4.474  -4.665
  257   1HD1  LEU  15          1HD1      LEU  36  -0.924  -4.390  -2.350
  258   2HD1  LEU  15          3HD1      LEU  36  -2.610  -4.473  -1.842
  259   3HD1  LEU  15          2HD1      LEU  36  -1.951  -5.709  -2.911
  260   1HD2  LEU  15          2HD2      LEU  36  -3.167  -1.864  -3.649
  261   2HD2  LEU  15          1HD2      LEU  36  -4.353  -3.117  -4.019
  262   3HD2  LEU  15          3HD2      LEU  36  -3.663  -3.004  -2.399
  263    H    TYR  16           H        TYR  37   0.142  -5.038  -6.543
  264    HA   TYR  16           HA       TYR  37  -0.724  -7.634  -5.459
  265   1HB   TYR  16          2HB       TYR  37  -1.333  -7.845  -7.648
  266   2HB   TYR  16          1HB       TYR  37  -0.625  -6.277  -7.969
  267    HD1  TYR  16           HD1      TYR  37   0.138  -9.931  -7.797
  268    HD2  TYR  16           HD2      TYR  37   1.442  -6.077  -9.188
  269    HE1  TYR  16           HE1      TYR  37   1.906 -11.013  -9.151
  270    HE2  TYR  16           HE2      TYR  37   3.201  -7.164 -10.548
  271    HH   TYR  16           HH       TYR  37   3.303  -9.917 -11.568
  272    H    LEU  17           H        LEU  38   2.213  -6.095  -6.727
  273    HA   LEU  17           HA       LEU  38   3.867  -8.434  -6.668
  274   1HB   LEU  17          2HB       LEU  38   4.067  -5.685  -7.288
  275   2HB   LEU  17          1HB       LEU  38   5.238  -5.945  -6.043
  276    HG   LEU  17           HG       LEU  38   6.605  -6.498  -7.767
  277   1HD1  LEU  17          3HD1      LEU  38   5.799  -8.694  -6.464
  278   2HD1  LEU  17          2HD1      LEU  38   5.235  -9.127  -8.077
  279   3HD1  LEU  17          1HD1      LEU  38   6.941  -8.774  -7.806
  280   1HD2  LEU  17          1HD2      LEU  38   4.229  -6.292  -9.231
  281   2HD2  LEU  17          3HD2      LEU  38   5.858  -6.456  -9.887
  282   3HD2  LEU  17          2HD2      LEU  38   4.863  -7.890  -9.626
  283    H    VAL  18           H        VAL  39   2.912  -5.992  -4.331
  284    HA   VAL  18           HA       VAL  39   5.006  -6.770  -2.530
  285    HB   VAL  18           HB       VAL  39   3.967  -4.455  -2.916
  286   1HG1  VAL  18          3HG1      VAL  39   1.633  -5.675  -2.306
  287   2HG1  VAL  18          2HG1      VAL  39   2.086  -5.066  -0.712
  288   3HG1  VAL  18          1HG1      VAL  39   1.913  -3.950  -2.064
  289   1HG2  VAL  18          2HG2      VAL  39   5.488  -5.340  -0.948
  290   2HG2  VAL  18          1HG2      VAL  39   4.722  -3.756  -0.824
  291   3HG2  VAL  18          3HG2      VAL  39   4.017  -5.143   0.006
  292    H    CYS  19           H        CYS  40   1.691  -7.717  -3.019
  293    HA   CYS  19           HA       CYS  40   1.774  -9.255  -0.438
  294   1HB   CYS  19          2HB       CYS  40  -0.730  -8.360  -1.890
  295   2HB   CYS  19          1HB       CYS  40  -0.577  -8.893  -0.221
  296    H    GLY  20           H        GLY  41  -0.538  -9.591  -3.133
  297   1HA   GLY  20          2HA       GLY  41  -0.992 -11.418  -4.511
  298   2HA   GLY  20          1HA       GLY  41   0.739 -11.753  -4.443
  299    H    GLU  21           H        GLU  42  -1.678 -13.555  -4.273
  300    HA   GLU  21           HA       GLU  42  -2.064 -15.632  -3.204
  301   1HB   GLU  21          2HB       GLU  42   0.573 -14.936  -2.663
  302   2HB   GLU  21          1HB       GLU  42  -0.103 -15.253  -1.066
  303   1HG   GLU  21          2HG       GLU  42  -1.073 -17.403  -2.071
  304   2HG   GLU  21          1HG       GLU  42  -0.005 -17.113  -3.446
  305    H    ARG  22           H        ARG  43  -2.422 -12.600  -1.834
  306    HA   ARG  22           HA       ARG  43  -4.207 -13.705   0.278
  307   1HB   ARG  22          2HB       ARG  43  -1.856 -11.832   0.602
  308   2HB   ARG  22          1HB       ARG  43  -3.167 -11.865   1.779
  309   1HG   ARG  22          2HG       ARG  43  -2.243 -13.669   2.750
  310   2HG   ARG  22          1HG       ARG  43  -2.424 -14.567   1.242
  311   1HD   ARG  22          2HD       ARG  43  -0.176 -14.543   0.979
  312   2HD   ARG  22          1HD       ARG  43  -0.209 -12.769   0.942
  313    HE   ARG  22           HE       ARG  43  -0.512 -13.365   3.628
  314   1HH1  ARG  22          1HH2      ARG  43   1.222 -15.677   2.190
  315   2HH1  ARG  22          2HH2      ARG  43   2.777 -15.234   2.812
  316   1HH2  ARG  22          2HH1      ARG  43   1.719 -12.150   3.992
  317   2HH2  ARG  22          1HH1      ARG  43   3.060 -13.234   3.824
  318    H    GLY  23           H        GLY  44  -4.087 -11.944  -2.393
  319   1HA   GLY  23          2HA       GLY  44  -5.217 -10.044  -3.216
  320   2HA   GLY  23          1HA       GLY  44  -6.485 -10.554  -2.099
  321    H    PHE  24           H        PHE  45  -6.668  -8.034  -2.079
  322    HA   PHE  24           HA       PHE  45  -5.417  -7.114   0.411
  323   1HB   PHE  24          2HB       PHE  45  -4.486  -5.072  -0.878
  324   2HB   PHE  24          1HB       PHE  45  -3.609  -6.592  -1.031
  325    HD1  PHE  24           HD1      PHE  45  -6.402  -4.682  -2.661
  326    HD2  PHE  24           HD2      PHE  45  -3.115  -7.407  -3.160
  327    HE1  PHE  24           HE1      PHE  45  -6.722  -4.620  -5.123
  328    HE2  PHE  24           HE2      PHE  45  -3.431  -7.341  -5.619
  329    HZ   PHE  24           HZ       PHE  45  -5.238  -5.951  -6.600
  330    H    PHE  25           H        PHE  46  -5.935  -4.449   0.273
  331    HA   PHE  25           HA       PHE  46  -8.883  -4.340  -0.270
  332   1HB   PHE  25          2HB       PHE  46  -7.937  -4.244   2.114
  333   2HB   PHE  25          1HB       PHE  46  -7.275  -2.672   1.680
  334    HD1  PHE  25           HD2      PHE  46 -10.013  -2.690  -0.312
  335    HD2  PHE  25           HD1      PHE  46  -9.087  -2.651   3.886
  336    HE1  PHE  25           HE2      PHE  46 -12.206  -1.631   0.163
  337    HE2  PHE  25           HE1      PHE  46 -11.279  -1.592   4.358
  338    HZ   PHE  25           HZ       PHE  46 -12.839  -1.082   2.497
  339    H    TYR  26           H        TYR  47  -8.637  -3.521  -2.425
  340    HA   TYR  26           HA       TYR  47  -7.885  -0.642  -2.537
  341   1HB   TYR  26          2HB       TYR  47  -5.925  -2.141  -3.098
  342   2HB   TYR  26          1HB       TYR  47  -6.863  -2.755  -4.460
  343    HD1  TYR  26           HD2      TYR  47  -7.640  -1.156  -6.246
  344    HD2  TYR  26           HD1      TYR  47  -4.812  -0.034  -3.212
  345    HE1  TYR  26           HE2      TYR  47  -6.952   0.797  -7.614
  346    HE2  TYR  26           HE1      TYR  47  -4.123   1.921  -4.579
  347    HH   TYR  26           HH       TYR  47  -5.215   3.361  -6.412
  348    H    THR  27           H        THR  48  -9.372   0.465  -3.821
  349    HA   THR  27           HA       THR  48 -11.186  -1.226  -5.496
  350    HB   THR  27           HB       THR  48 -12.958   0.166  -4.800
  351    HG1  THR  27           HG1      THR  48 -12.158   2.243  -3.663
  352   1HG2  THR  27          2HG2      THR  48 -11.574  -0.992  -2.861
  353   2HG2  THR  27          1HG2      THR  48 -11.258   0.678  -2.393
  354   3HG2  THR  27          3HG2      THR  48 -12.918   0.088  -2.488
  355    HA   PRO  28           HA       PRO  49 -10.327   1.528  -8.896
  356   1HB   PRO  28          2HB       PRO  49 -12.611   2.762  -9.718
  357   2HB   PRO  28          1HB       PRO  49 -12.356   1.016  -9.901
  358   1HG   PRO  28          2HG       PRO  49 -14.049   2.481  -7.986
  359   2HG   PRO  28          1HG       PRO  49 -14.236   0.856  -8.653
  360   1HD   PRO  28          2HD       PRO  49 -13.262   1.521  -6.103
  361   2HD   PRO  28          1HD       PRO  49 -13.211  -0.066  -6.894
  362    H    LYS  29           H        LYS  50 -10.227   2.894  -6.174
  363    HA   LYS  29           HA       LYS  50  -9.683   5.064  -5.399
  364   1HB   LYS  29          2HB       LYS  50  -9.910   5.880  -8.306
  365   2HB   LYS  29          1HB       LYS  50  -8.868   6.571  -7.063
  366   1HG   LYS  29          2HG       LYS  50  -7.565   4.503  -6.960
  367   2HG   LYS  29          1HG       LYS  50  -8.635   3.745  -8.138
  368   1HD   LYS  29          2HD       LYS  50  -6.669   4.529  -9.315
  369   2HD   LYS  29          1HD       LYS  50  -8.023   5.566  -9.764
  370   1HE   LYS  29          2HE       LYS  50  -7.287   7.199  -7.994
  371   2HE   LYS  29          1HE       LYS  50  -5.842   6.199  -7.745
  372   1HZ   LYS  29          1HZ       LYS  50  -6.715   7.351 -10.344
  373   2HZ   LYS  29          3HZ       LYS  50  -5.438   7.939  -9.395
  374   3HZ   LYS  29          2HZ       LYS  50  -5.334   6.394 -10.096
  375    H    THR  30           HN       THR  51 -11.696   5.406  -4.315
  376    HA   THR  30           HA       THR  51 -13.498   7.336  -5.670
  377    HB   THR  30           HB       THR  51 -14.235   4.572  -4.685
  378    HG1  THR  30           HG1      THR  51 -15.016   4.393  -6.760
  379   1HG2  THR  30          1HG2      THR  51 -15.929   7.032  -5.014
  380   2HG2  THR  30          3HG2      THR  51 -16.617   5.440  -5.333
  381   3HG2  THR  30          2HG2      THR  51 -15.972   5.818  -3.736
   
  No H/Q in entry =         381
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -5.742   4.633   2.126
    2   2H    GLY   1          3H        GLY   1  -7.289   5.312   2.286
    3   3H    GLY   1          2H        GLY   1  -6.926   4.335   0.944
    4   1HA   GLY   1          2HA       GLY   1  -6.906   6.603   0.237
    5   2HA   GLY   1          1HA       GLY   1  -5.802   7.015   1.548
    6    H    ILE   2           H        ILE   2  -5.086   3.944   0.388
    7    HA   ILE   2           HA       ILE   2  -2.495   4.357  -0.430
    8    HB   ILE   2           HB       ILE   2  -3.256   2.140  -0.337
    9   1HG1  ILE   2          2HG1      ILE   2  -3.285   2.674  -3.302
   10   2HG1  ILE   2          1HG1      ILE   2  -1.811   2.560  -2.346
   11   1HG2  ILE   2          1HG2      ILE   2  -5.614   3.271  -1.706
   12   2HG2  ILE   2          3HG2      ILE   2  -5.206   1.615  -2.153
   13   3HG2  ILE   2          2HG2      ILE   2  -5.521   2.020  -0.465
   14   1HD1  ILE   2          1HD1      ILE   2  -3.418   0.311  -1.681
   15   2HD1  ILE   2          3HD1      ILE   2  -3.402   0.430  -3.440
   16   3HD1  ILE   2          2HD1      ILE   2  -1.883   0.320  -2.549
   17    H    VAL   3           H        VAL   3  -5.352   5.275  -2.229
   18    HA   VAL   3           HA       VAL   3  -4.033   5.625  -4.793
   19    HB   VAL   3           HB       VAL   3  -6.509   7.074  -3.868
   20   1HG1  VAL   3          2HG1      VAL   3  -5.209   6.381  -6.376
   21   2HG1  VAL   3          1HG1      VAL   3  -6.875   5.809  -6.338
   22   3HG1  VAL   3          3HG1      VAL   3  -6.523   7.518  -6.079
   23   1HG2  VAL   3          2HG2      VAL   3  -6.032   4.167  -3.909
   24   2HG2  VAL   3          1HG2      VAL   3  -7.338   5.079  -3.153
   25   3HG2  VAL   3          3HG2      VAL   3  -7.426   4.670  -4.866
   26    H    GLU   4           H        GLU   4  -4.015   7.426  -1.882
   27    HA   GLU   4           HA       GLU   4  -3.325   9.957  -3.312
   28   1HB   GLU   4          2HB       GLU   4  -3.735   9.622  -0.346
   29   2HB   GLU   4          1HB       GLU   4  -4.035  11.044  -1.346
   30   1HG   GLU   4          2HG       GLU   4  -5.688   9.153  -2.488
   31   2HG   GLU   4          1HG       GLU   4  -5.787   8.758  -0.773
   32    H    GLN   5           H        GLN   5  -1.830   7.315  -1.741
   33    HA   GLN   5           HA       GLN   5   0.476   8.992  -0.877
   34   1HB   GLN   5          2HB       GLN   5  -0.840   6.904   0.312
   35   2HB   GLN   5          1HB       GLN   5   0.522   6.061  -0.423
   36   1HG   GLN   5          2HG       GLN   5   2.004   6.956   1.023
   37   2HG   GLN   5          1HG       GLN   5   1.309   8.570   0.862
   38   1HE2  GLN   5          2HE2      GLN   5   0.294   8.061   4.245
   39   2HE2  GLN   5          1HE2      GLN   5   1.418   8.841   3.240
   40    H    CYS   6           H        CYS   6  -0.285   6.281  -3.119
   41    HA   CYS   6           HA       CYS   6   2.503   6.474  -4.136
   42   1HB   CYS   6          2HB       CYS   6   0.575   4.465  -5.253
   43   2HB   CYS   6          1HB       CYS   6   2.272   4.313  -4.864
   44    H    CYS   7           H        CYS   7  -0.746   7.450  -5.074
   45    HA   CYS   7           HA       CYS   7   0.228   7.900  -7.864
   46   1HB   CYS   7          2HB       CYS   7  -2.122   7.128  -7.324
   47   2HB   CYS   7          1HB       CYS   7  -2.375   8.650  -6.530
   48    H    THR   8           H        THR   8  -1.212   9.761  -5.220
   49    HA   THR   8           HA       THR   8  -0.292  12.329  -6.316
   50    HB   THR   8           HB       THR   8  -1.653  11.500  -3.734
   51    HG1  THR   8           HG1      THR   8  -2.678  12.468  -6.197
   52   1HG2  THR   8          1HG2      THR   8  -0.690  14.059  -4.749
   53   2HG2  THR   8          3HG2      THR   8  -2.425  14.086  -4.432
   54   3HG2  THR   8          2HG2      THR   8  -1.301  13.648  -3.145
   55    H    SER   9           H        SER   9   1.684  10.180  -5.280
   56    HA   SER   9           HA       SER   9   3.660  11.849  -4.166
   57   1HB   SER   9          2HB       SER   9   2.757  12.289  -2.126
   58   2HB   SER   9          1HB       SER   9   1.488  11.092  -2.363
   59    HG   SER   9           HG       SER   9   2.905  10.567  -0.628
   60    H    ILE  10           H        ILE  10   5.062  10.268  -2.487
   61    HA   ILE  10           HA       ILE  10   5.425   7.749  -4.062
   62    HB   ILE  10           HB       ILE  10   7.282   9.316  -2.257
   63   1HG1  ILE  10          2HG1      ILE  10   8.247   9.509  -4.826
   64   2HG1  ILE  10          1HG1      ILE  10   6.502   9.578  -5.084
   65   1HG2  ILE  10          2HG2      ILE  10   7.455   6.706  -3.526
   66   2HG2  ILE  10          1HG2      ILE  10   8.748   7.778  -4.063
   67   3HG2  ILE  10          3HG2      ILE  10   8.533   7.450  -2.344
   68   1HD1  ILE  10          1HD1      ILE  10   7.955  11.275  -3.042
   69   2HD1  ILE  10          3HD1      ILE  10   7.581  11.825  -4.675
   70   3HD1  ILE  10          2HD1      ILE  10   6.276  11.428  -3.558
   71    H    CYS  11           H        CYS  11   4.432   6.066  -2.989
   72    HA   CYS  11           HA       CYS  11   4.659   5.945  -0.005
   73   1HB   CYS  11          2HB       CYS  11   2.636   4.716  -0.061
   74   2HB   CYS  11          1HB       CYS  11   2.422   5.858  -1.363
   75    H    SER  12           H        SER  12   5.496   3.933   0.931
   76    HA   SER  12           HA       SER  12   7.315   2.524  -0.965
   77   1HB   SER  12          2HB       SER  12   7.921   1.706   1.599
   78   2HB   SER  12          1HB       SER  12   8.697   3.016   0.728
   79    HG   SER  12           HG       SER  12   7.890   4.230   2.255
   80    H    LEU  13           H        LEU  13   7.884   0.254   0.028
   81    HA   LEU  13           HA       LEU  13   5.689  -1.484  -0.566
   82   1HB   LEU  13          2HB       LEU  13   7.591  -2.669  -0.898
   83   2HB   LEU  13          1HB       LEU  13   8.519  -1.620   0.164
   84    HG   LEU  13           HG       LEU  13   6.602  -3.573   1.397
   85   1HD1  LEU  13          1HD1      LEU  13   8.681  -4.354  -0.398
   86   2HD1  LEU  13          3HD1      LEU  13   9.200  -4.759   1.237
   87   3HD1  LEU  13          2HD1      LEU  13   7.674  -5.387   0.617
   88   1HD2  LEU  13          2HD2      LEU  13   8.723  -1.809   2.219
   89   2HD2  LEU  13          1HD2      LEU  13   7.643  -2.772   3.227
   90   3HD2  LEU  13          3HD2      LEU  13   9.155  -3.466   2.642
   91    H    TYR  14           H        TYR  14   7.198  -0.629   2.535
   92    HA   TYR  14           HA       TYR  14   5.480  -2.156   4.224
   93   1HB   TYR  14          2HB       TYR  14   7.641  -1.117   4.861
   94   2HB   TYR  14          1HB       TYR  14   6.893   0.478   4.720
   95    HD1  TYR  14           HD2      TYR  14   5.078   1.157   6.239
   96    HD2  TYR  14           HD1      TYR  14   7.150  -2.574   6.718
   97    HE1  TYR  14           HE2      TYR  14   4.176   0.958   8.547
   98    HE2  TYR  14           HE1      TYR  14   6.253  -2.777   9.026
   99    HH   TYR  14           HH       TYR  14   4.292  -0.184  10.470
  100    H    GLN  15           H        GLN  15   5.201   1.105   2.847
  101    HA   GLN  15           HA       GLN  15   2.837   1.846   4.335
  102   1HB   GLN  15          2HB       GLN  15   4.627   2.893   2.348
  103   2HB   GLN  15          1HB       GLN  15   2.979   3.112   1.759
  104   1HG   GLN  15          2HG       GLN  15   2.405   4.536   3.481
  105   2HG   GLN  15          1HG       GLN  15   3.506   3.765   4.622
  106   1HE2  GLN  15          2HE2      GLN  15   4.943   7.092   3.666
  107   2HE2  GLN  15          1HE2      GLN  15   3.490   6.589   4.386
  108    H    LEU  16           H        LEU  16   3.481   0.230   1.260
  109    HA   LEU  16           HA       LEU  16   0.658  -0.039   0.546
  110   1HB   LEU  16          2HB       LEU  16   3.086  -0.111  -0.744
  111   2HB   LEU  16          1HB       LEU  16   2.674  -1.824  -0.662
  112    HG   LEU  16           HG       LEU  16   0.315  -0.998  -1.484
  113   1HD1  LEU  16          2HD1      LEU  16   1.676   1.436  -1.373
  114   2HD1  LEU  16          1HD1      LEU  16   1.675   1.025  -3.088
  115   3HD1  LEU  16          3HD1      LEU  16   0.151   1.138  -2.207
  116   1HD2  LEU  16          3HD2      LEU  16   2.307  -2.295  -2.682
  117   2HD2  LEU  16          2HD2      LEU  16   0.927  -1.709  -3.606
  118   3HD2  LEU  16          1HD2      LEU  16   2.431  -0.791  -3.592
  119    H    GLU  17           H        GLU  17   2.971  -1.728   2.494
  120    HA   GLU  17           HA       GLU  17   1.899  -4.390   2.390
  121   1HB   GLU  17          2HB       GLU  17   3.418  -2.761   4.432
  122   2HB   GLU  17          1HB       GLU  17   2.978  -4.439   4.738
  123   1HG   GLU  17          2HG       GLU  17   4.035  -4.498   2.171
  124   2HG   GLU  17          1HG       GLU  17   5.062  -3.358   3.032
  125    H    ASN  18           H        ASN  18   0.717  -1.456   3.770
  126    HA   ASN  18           HA       ASN  18  -0.926  -2.639   5.855
  127   1HB   ASN  18          2HB       ASN  18  -0.187  -0.064   4.808
  128   2HB   ASN  18          1HB       ASN  18  -1.944  -0.134   4.966
  129   1HD2  ASN  18          2HD2      ASN  18   0.284   0.266   8.276
  130   2HD2  ASN  18          1HD2      ASN  18   0.909   0.451   6.708
  131    H    TYR  19           H        TYR  19  -1.112  -3.106   2.608
  132    HA   TYR  19           HA       TYR  19  -4.117  -3.088   2.635
  133   1HB   TYR  19          2HB       TYR  19  -2.134  -2.808   0.353
  134   2HB   TYR  19          1HB       TYR  19  -3.891  -2.799   0.177
  135    HD1  TYR  19           HD2      TYR  19  -5.248  -1.009   1.330
  136    HD2  TYR  19           HD1      TYR  19  -0.959  -0.856   1.084
  137    HE1  TYR  19           HE2      TYR  19  -5.302   1.404   1.898
  138    HE2  TYR  19           HE1      TYR  19  -1.015   1.559   1.651
  139    HH   TYR  19           HH       TYR  19  -2.303   3.326   2.035
  140    H    CYS  20           H        CYS  20  -1.492  -5.137   2.834
  141    HA   CYS  20           HA       CYS  20  -2.110  -7.265   1.039
  142   1HB   CYS  20          2HB       CYS  20  -0.935  -7.395   3.833
  143   2HB   CYS  20          1HB       CYS  20  -0.649  -8.532   2.515
  144    H    ASN  21           HN       ASN  21  -2.251  -8.666   4.108
  145    HA   ASN  21           HA       ASN  21  -5.071  -9.442   3.701
  146   1HB   ASN  21          2HB       ASN  21  -4.482 -11.005   5.579
  147   2HB   ASN  21          1HB       ASN  21  -3.373 -11.122   4.211
  148   1HD2  ASN  21          2HD2      ASN  21  -2.022  -9.703   7.794
  149   2HD2  ASN  21          1HD2      ASN  21  -3.678  -9.992   7.553
  150   1H    PHE   1          1H        PHE  22  11.487  -3.596  -2.996
  151   2H    PHE   1          3H        PHE  22  13.175  -3.437  -2.953
  152   3H    PHE   1          2H        PHE  22  12.345  -4.047  -1.601
  153    HA   PHE   1           HA       PHE  22  11.278  -1.914  -1.239
  154   1HB   PHE   1          2HB       PHE  22  13.306  -2.269  -0.064
  155   2HB   PHE   1          1HB       PHE  22  14.274  -2.152  -1.534
  156    HD1  PHE   1           HD1      PHE  22  11.522   0.091  -0.358
  157    HD2  PHE   1           HD2      PHE  22  15.730  -0.338  -1.126
  158    HE1  PHE   1           HE1      PHE  22  11.844   2.520   0.039
  159    HE2  PHE   1           HE2      PHE  22  16.050   2.090  -0.728
  160    HZ   PHE   1           HZ       PHE  22  14.107   3.519  -0.146
  161    H    VAL   2           H        VAL  23  10.707   0.102  -2.087
  162    HA   VAL   2           HA       VAL  23  12.044   1.042  -4.574
  163    HB   VAL   2           HB       VAL  23   9.737   1.306  -5.575
  164   1HG1  VAL   2          2HG1      VAL  23  11.306  -0.660  -5.988
  165   2HG1  VAL   2          1HG1      VAL  23  10.352  -1.557  -4.806
  166   3HG1  VAL   2          3HG1      VAL  23   9.598  -0.979  -6.292
  167   1HG2  VAL   2          2HG2      VAL  23   8.524   1.236  -3.396
  168   2HG2  VAL   2          1HG2      VAL  23   7.896   0.057  -4.546
  169   3HG2  VAL   2          3HG2      VAL  23   8.955  -0.465  -3.237
  170    H    ASN   3           H        ASN  24  10.461   3.168  -5.168
  171    HA   ASN   3           HA       ASN  24   9.536   4.680  -2.884
  172   1HB   ASN   3          2HB       ASN  24  12.362   4.508  -3.389
  173   2HB   ASN   3          1HB       ASN  24  11.834   6.170  -3.654
  174   1HD2  ASN   3          1HD2      ASN  24  11.410   7.431  -1.807
  175   2HD2  ASN   3          2HD2      ASN  24  11.362   6.818  -0.226
  176    H    GLN   4           H        GLN  25   7.942   4.767  -4.806
  177    HA   GLN   4           HA       GLN  25   8.384   7.289  -6.291
  178   1HB   GLN   4          2HB       GLN  25   9.353   5.216  -7.510
  179   2HB   GLN   4          1HB       GLN  25   7.673   4.742  -7.762
  180   1HG   GLN   4          2HG       GLN  25   7.267   6.463  -9.236
  181   2HG   GLN   4          1HG       GLN  25   8.400   7.554  -8.435
  182   1HE2  GLN   4          2HE2      GLN  25  10.285   6.841 -11.423
  183   2HE2  GLN   4          1HE2      GLN  25   9.131   7.912 -10.789
  184    H    HIS   5           H        HIS  26   6.225   7.305  -7.927
  185    HA   HIS   5           HA       HIS  26   3.959   6.980  -6.036
  186   1HB   HIS   5          2HB       HIS  26   3.625   8.273  -8.713
  187   2HB   HIS   5          1HB       HIS  26   2.955   8.735  -7.164
  188    HD1  HIS   5           HD1      HIS  26   3.964  10.723  -6.104
  189    HD2  HIS   5           HD2      HIS  26   6.630   8.912  -8.749
  190    HE1  HIS   5           HE1      HIS  26   5.975  12.245  -6.250
  191    H    LEU   6           H        LEU  27   2.522   5.330  -6.336
  192    HA   LEU   6           HA       LEU  27   2.746   3.705  -8.802
  193   1HB   LEU   6          2HB       LEU  27   1.611   3.071  -6.078
  194   2HB   LEU   6          1HB       LEU  27   1.856   1.916  -7.366
  195    HG   LEU   6           HG       LEU  27   4.173   3.554  -6.402
  196   1HD1  LEU   6          2HD1      LEU  27   2.703   1.442  -4.923
  197   2HD1  LEU   6          1HD1      LEU  27   4.450   1.223  -5.014
  198   3HD1  LEU   6          3HD1      LEU  27   3.781   2.697  -4.312
  199   1HD2  LEU   6          1HD2      LEU  27   3.705   1.513  -8.285
  200   2HD2  LEU   6          3HD2      LEU  27   5.267   2.158  -7.780
  201   3HD2  LEU   6          2HD2      LEU  27   4.586   0.753  -6.958
  202    H    CYS   7           H        CYS  28   0.836   6.075  -8.579
  203    HA   CYS   7           HA       CYS  28  -1.729   5.922  -8.212
  204   1HB   CYS   7          2HB       CYS  28  -0.337   7.125 -10.107
  205   2HB   CYS   7          1HB       CYS  28  -1.136   5.924 -11.125
  206    H    GLY   8           H        GLY  29  -3.245   4.498  -8.020
  207   1HA   GLY   8          2HA       GLY  29  -3.802   2.105  -7.957
  208   2HA   GLY   8          1HA       GLY  29  -4.749   2.866  -9.211
  209    H    SER   9           H        SER  30  -3.421   2.818 -11.524
  210    HA   SER   9           HA       SER  30  -3.154   0.128 -12.240
  211   1HB   SER   9          2HB       SER  30  -2.795   2.730 -13.371
  212   2HB   SER   9          1HB       SER  30  -1.428   1.730 -13.859
  213    HG   SER   9           HG       SER  30  -4.145   1.483 -14.425
  214    H    HIS  10           H        HIS  31  -0.693   2.338 -10.987
  215    HA   HIS  10           HA       HIS  31   1.440   0.337 -11.384
  216   1HB   HIS  10          2HB       HIS  31   1.125   3.129 -10.408
  217   2HB   HIS  10          1HB       HIS  31   2.434   2.206  -9.674
  218    HD1  HIS  10           HD1      HIS  31   1.113   2.490 -13.247
  219    HD2  HIS  10           HD2      HIS  31   4.715   2.629 -11.155
  220    HE1  HIS  10           HE1      HIS  31   2.931   2.839 -14.976
  221    H    LEU  11           H        LEU  32  -0.634   1.626  -8.852
  222    HA   LEU  11           HA       LEU  32   0.476   0.203  -6.639
  223   1HB   LEU  11          2HB       LEU  32  -2.175   1.378  -7.392
  224   2HB   LEU  11          1HB       LEU  32  -2.085   0.353  -5.963
  225    HG   LEU  11           HG       LEU  32  -0.208   2.675  -6.412
  226   1HD1  LEU  11          1HD1      LEU  32  -2.981   2.564  -5.406
  227   2HD1  LEU  11          3HD1      LEU  32  -1.843   3.386  -4.338
  228   3HD1  LEU  11          2HD1      LEU  32  -2.055   3.943  -5.998
  229   1HD2  LEU  11          2HD2      LEU  32  -0.130   0.464  -4.733
  230   2HD2  LEU  11          1HD2      LEU  32   0.760   1.967  -4.497
  231   3HD2  LEU  11          3HD2      LEU  32  -0.803   1.735  -3.713
  232    H    VAL  12           H        VAL  33  -2.387  -0.624  -8.716
  233    HA   VAL  12           HA       VAL  33  -2.835  -3.109  -7.566
  234    HB   VAL  12           HB       VAL  33  -3.310  -1.775 -10.159
  235   1HG1  VAL  12          1HG1      VAL  33  -3.211  -4.755  -9.880
  236   2HG1  VAL  12          3HG1      VAL  33  -4.440  -4.024 -10.911
  237   3HG1  VAL  12          2HG1      VAL  33  -2.730  -3.749 -11.246
  238   1HG2  VAL  12          1HG2      VAL  33  -4.749  -2.672  -7.831
  239   2HG2  VAL  12          3HG2      VAL  33  -5.280  -1.569  -9.100
  240   3HG2  VAL  12          2HG2      VAL  33  -5.511  -3.307  -9.289
  241    H    GLU  13           H        GLU  34  -0.248  -2.087  -9.694
  242    HA   GLU  13           HA       GLU  34   0.645  -4.889 -10.071
  243   1HB   GLU  13          2HB       GLU  34   1.714  -4.057 -11.921
  244   2HB   GLU  13          1HB       GLU  34   0.602  -2.714 -11.698
  245   1HG   GLU  13          2HG       GLU  34   2.502  -1.461 -11.713
  246   2HG   GLU  13          1HG       GLU  34   2.641  -1.971 -10.034
  247    H    ALA  14           H        ALA  35   1.229  -2.216  -7.959
  248    HA   ALA  14           HA       ALA  35   3.872  -3.343  -7.128
  249   1HB   ALA  14          3HB       ALA  35   2.395  -0.770  -6.444
  250   2HB   ALA  14          2HB       ALA  35   4.018  -1.179  -5.888
  251   3HB   ALA  14          1HB       ALA  35   3.714  -0.919  -7.606
  252    H    LEU  15           H        LEU  36   0.546  -3.122  -6.334
  253    HA   LEU  15           HA       LEU  36   0.953  -3.783  -3.487
  254   1HB   LEU  15          2HB       LEU  36  -0.806  -2.316  -3.780
  255   2HB   LEU  15          1HB       LEU  36  -1.150  -2.903  -5.359
  256    HG   LEU  15           HG       LEU  36  -2.260  -4.866  -4.510
  257   1HD1  LEU  15          3HD1      LEU  36  -0.630  -4.649  -2.363
  258   2HD1  LEU  15          2HD1      LEU  36  -2.081  -3.905  -1.691
  259   3HD1  LEU  15          1HD1      LEU  36  -2.141  -5.556  -2.307
  260   1HD2  LEU  15          1HD2      LEU  36  -3.417  -2.554  -4.588
  261   2HD2  LEU  15          3HD2      LEU  36  -4.199  -3.819  -3.642
  262   3HD2  LEU  15          2HD2      LEU  36  -3.264  -2.563  -2.831
  263    H    TYR  16           H        TYR  37   0.338  -5.284  -6.590
  264    HA   TYR  16           HA       TYR  37  -0.565  -7.845  -5.430
  265   1HB   TYR  16          2HB       TYR  37  -1.306  -8.010  -7.586
  266   2HB   TYR  16          1HB       TYR  37  -0.449  -6.545  -7.996
  267    HD1  TYR  16           HD1      TYR  37  -0.056 -10.237  -7.652
  268    HD2  TYR  16           HD2      TYR  37   1.582  -6.613  -9.291
  269    HE1  TYR  16           HE1      TYR  37   1.553 -11.564  -8.985
  270    HE2  TYR  16           HE2      TYR  37   3.186  -7.946 -10.626
  271    HH   TYR  16           HH       TYR  37   3.091 -10.563 -11.548
  272    H    LEU  17           H        LEU  38   2.340  -6.447  -6.965
  273    HA   LEU  17           HA       LEU  38   3.950  -8.794  -6.865
  274   1HB   LEU  17          2HB       LEU  38   4.199  -6.040  -7.490
  275   2HB   LEU  17          1HB       LEU  38   5.401  -6.344  -6.285
  276    HG   LEU  17           HG       LEU  38   6.694  -6.919  -8.062
  277   1HD1  LEU  17          3HD1      LEU  38   5.908  -9.098  -6.742
  278   2HD1  LEU  17          2HD1      LEU  38   5.224  -9.507  -8.314
  279   3HD1  LEU  17          1HD1      LEU  38   6.955  -9.212  -8.156
  280   1HD2  LEU  17          3HD2      LEU  38   4.154  -6.848  -9.410
  281   2HD2  LEU  17          2HD2      LEU  38   5.769  -6.639 -10.087
  282   3HD2  LEU  17          1HD2      LEU  38   5.069  -8.252  -9.961
  283    H    VAL  18           H        VAL  39   3.058  -6.295  -4.586
  284    HA   VAL  18           HA       VAL  39   5.080  -7.168  -2.718
  285    HB   VAL  18           HB       VAL  39   4.219  -4.776  -3.272
  286   1HG1  VAL  18          2HG1      VAL  39   1.819  -5.381  -2.780
  287   2HG1  VAL  18          1HG1      VAL  39   2.265  -5.529  -1.081
  288   3HG1  VAL  18          3HG1      VAL  39   2.402  -3.972  -1.895
  289   1HG2  VAL  18          2HG2      VAL  39   4.616  -5.697  -0.410
  290   2HG2  VAL  18          1HG2      VAL  39   5.895  -5.264  -1.545
  291   3HG2  VAL  18          3HG2      VAL  39   4.770  -4.032  -0.972
  292    H    CYS  19           H        CYS  40   1.631  -7.558  -3.202
  293    HA   CYS  19           HA       CYS  40   1.507  -9.569  -1.018
  294   1HB   CYS  19          2HB       CYS  40   0.308  -6.820  -0.987
  295   2HB   CYS  19          1HB       CYS  40  -0.567  -8.139  -0.210
  296    H    GLY  20           H        GLY  41   1.138 -10.314  -3.631
  297   1HA   GLY  20          2HA       GLY  41  -1.597  -9.873  -4.524
  298   2HA   GLY  20          1HA       GLY  41  -0.405 -10.897  -5.301
  299    H    GLU  21           H        GLU  42   0.056 -12.989  -4.095
  300    HA   GLU  21           HA       GLU  42  -2.094 -14.679  -3.901
  301   1HB   GLU  21          2HB       GLU  42   0.647 -14.566  -2.943
  302   2HB   GLU  21          1HB       GLU  42  -0.369 -15.523  -1.865
  303   1HG   GLU  21          2HG       GLU  42  -0.786 -17.128  -3.455
  304   2HG   GLU  21          1HG       GLU  42  -0.708 -15.977  -4.789
  305    H    ARG  22           H        ARG  43  -1.163 -12.313  -1.501
  306    HA   ARG  22           HA       ARG  43  -2.955 -13.457   0.552
  307   1HB   ARG  22          2HB       ARG  43  -1.140 -11.037   0.377
  308   2HB   ARG  22          1HB       ARG  43  -2.081 -11.435   1.815
  309   1HG   ARG  22          2HG       ARG  43  -0.013 -13.231   0.504
  310   2HG   ARG  22          1HG       ARG  43   0.209 -12.327   2.003
  311   1HD   ARG  22          2HD       ARG  43  -2.200 -13.776   2.333
  312   2HD   ARG  22          1HD       ARG  43  -1.026 -14.912   1.641
  313    HE   ARG  22           HE       ARG  43  -0.146 -13.175   3.892
  314   1HH1  ARG  22          2HH1      ARG  43   1.853 -14.815   4.045
  315   2HH1  ARG  22          1HH1      ARG  43   1.347 -16.338   4.699
  316   1HH2  ARG  22          1HH2      ARG  43  -2.023 -15.768   4.116
  317   2HH2  ARG  22          2HH2      ARG  43  -0.848 -16.877   4.740
  318    H    GLY  23           H        GLY  44  -3.388 -11.538  -2.150
  319   1HA   GLY  23          2HA       GLY  44  -5.138 -10.139  -2.841
  320   2HA   GLY  23          1HA       GLY  44  -6.069 -10.823  -1.506
  321    H    PHE  24           H        PHE  45  -6.557  -8.220  -1.923
  322    HA   PHE  24           HA       PHE  45  -5.462  -6.961   0.496
  323   1HB   PHE  24          2HB       PHE  45  -4.909  -4.909  -1.097
  324   2HB   PHE  24          1HB       PHE  45  -3.734  -6.194  -0.845
  325    HD1  PHE  24           HD1      PHE  45  -6.570  -5.217  -3.102
  326    HD2  PHE  24           HD2      PHE  45  -2.861  -7.349  -2.688
  327    HE1  PHE  24           HE1      PHE  45  -6.567  -5.690  -5.542
  328    HE2  PHE  24           HE2      PHE  45  -2.859  -7.817  -5.120
  329    HZ   PHE  24           HZ       PHE  45  -4.710  -6.992  -6.548
  330    H    PHE  25           H        PHE  46  -6.451  -4.691   0.688
  331    HA   PHE  25           HA       PHE  46  -9.266  -4.760  -0.354
  332   1HB   PHE  25          2HB       PHE  46  -9.153  -5.100   2.037
  333   2HB   PHE  25          1HB       PHE  46  -8.029  -3.756   2.228
  334    HD1  PHE  25           HD1      PHE  46 -11.339  -4.283   0.518
  335    HD2  PHE  25           HD2      PHE  46  -8.984  -1.860   3.175
  336    HE1  PHE  25           HE1      PHE  46 -13.248  -2.720   0.786
  337    HE2  PHE  25           HE2      PHE  46 -10.893  -0.298   3.443
  338    HZ   PHE  25           HZ       PHE  46 -13.024  -0.727   2.248
  339    H    TYR  26           H        TYR  47  -8.173  -3.567  -2.257
  340    HA   TYR  26           HA       TYR  47  -8.134  -0.638  -1.644
  341   1HB   TYR  26          2HB       TYR  47  -5.849  -1.065  -1.870
  342   2HB   TYR  26          1HB       TYR  47  -6.110  -2.400  -2.995
  343    HD1  TYR  26           HD1      TYR  47  -7.147   1.187  -2.854
  344    HD2  TYR  26           HD2      TYR  47  -5.295  -1.938  -5.141
  345    HE1  TYR  26           HE1      TYR  47  -6.932   2.734  -4.773
  346    HE2  TYR  26           HE2      TYR  47  -5.080  -0.393  -7.069
  347    HH   TYR  26           HH       TYR  47  -6.618   2.010  -7.693
  348    H    THR  27           H        THR  48 -10.206  -0.303  -2.630
  349    HA   THR  27           HA       THR  48 -10.340  -0.964  -5.551
  350    HB   THR  27           HB       THR  48 -11.903  -2.270  -4.321
  351    HG1  THR  27           HG1      THR  48 -13.932  -1.104  -4.908
  352   1HG2  THR  27          3HG2      THR  48 -12.226   0.290  -2.813
  353   2HG2  THR  27          2HG2      THR  48 -13.584  -0.835  -2.863
  354   3HG2  THR  27          1HG2      THR  48 -12.033  -1.352  -2.203
  355    HA   PRO  28           HA       PRO  49 -12.067   3.495  -4.722
  356   1HB   PRO  28          2HB       PRO  49 -10.151   5.118  -3.632
  357   2HB   PRO  28          1HB       PRO  49 -11.380   4.279  -2.662
  358   1HG   PRO  28          2HG       PRO  49  -8.538   3.557  -3.155
  359   2HG   PRO  28          1HG       PRO  49  -9.493   3.465  -1.672
  360   1HD   PRO  28          2HD       PRO  49  -8.961   1.299  -3.214
  361   2HD   PRO  28          1HD       PRO  49 -10.435   1.455  -2.231
  362    H    LYS  29           H        LYS  50 -11.607   5.247  -6.161
  363    HA   LYS  29           HA       LYS  50 -10.815   5.945  -8.301
  364   1HB   LYS  29          2HB       LYS  50  -8.704   6.011  -6.196
  365   2HB   LYS  29          1HB       LYS  50  -8.211   6.400  -7.845
  366   1HG   LYS  29          2HG       LYS  50  -9.611   8.272  -7.960
  367   2HG   LYS  29          1HG       LYS  50 -10.665   7.684  -6.672
  368   1HD   LYS  29          2HD       LYS  50  -8.231   7.865  -5.394
  369   2HD   LYS  29          1HD       LYS  50  -8.182   9.248  -6.488
  370   1HE   LYS  29          2HE       LYS  50 -10.596   9.738  -5.620
  371   2HE   LYS  29          1HE       LYS  50 -10.148   8.670  -4.273
  372   1HZ   LYS  29          2HZ       LYS  50  -7.938  10.129  -4.500
  373   2HZ   LYS  29          1HZ       LYS  50  -9.084  11.281  -4.997
  374   3HZ   LYS  29          3HZ       LYS  50  -9.221  10.553  -3.471
  375    H    THR  30           HN       THR  51 -10.902   2.996  -8.097
  376    HA   THR  30           HA       THR  51  -8.567   1.642  -8.869
  377    HB   THR  30           HB       THR  51 -10.798   0.656  -8.380
  378    HG1  THR  30           HG1      THR  51 -10.208  -0.991  -9.524
  379   1HG2  THR  30          2HG2      THR  51 -11.804   2.522 -10.037
  380   2HG2  THR  30          1HG2      THR  51 -11.709   1.169 -11.165
  381   3HG2  THR  30          3HG2      THR  51 -12.651   1.016  -9.681
   
  No H/Q in entry =         381
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -6.067   7.420  -0.453
    2   2H    GLY   1          3H        GLY   1  -7.292   6.672   0.451
    3   3H    GLY   1          2H        GLY   1  -6.465   8.013   1.089
    4   1HA   GLY   1          2HA       GLY   1  -4.858   6.760   1.920
    5   2HA   GLY   1          1HA       GLY   1  -5.863   5.371   1.509
    6    H    ILE   2           H        ILE   2  -4.770   3.895   0.331
    7    HA   ILE   2           HA       ILE   2  -2.244   4.105  -0.780
    8    HB   ILE   2           HB       ILE   2  -3.166   1.957  -0.701
    9   1HG1  ILE   2          2HG1      ILE   2  -3.797   2.418  -3.582
   10   2HG1  ILE   2          1HG1      ILE   2  -2.144   2.668  -3.025
   11   1HG2  ILE   2          1HG2      ILE   2  -5.607   3.369  -1.446
   12   2HG2  ILE   2          3HG2      ILE   2  -5.437   1.835  -2.301
   13   3HG2  ILE   2          2HG2      ILE   2  -5.414   1.869  -0.538
   14   1HD1  ILE   2          3HD1      ILE   2  -2.233   0.369  -1.991
   15   2HD1  ILE   2          2HD1      ILE   2  -3.791   0.135  -2.786
   16   3HD1  ILE   2          1HD1      ILE   2  -2.334   0.370  -3.752
   17    H    VAL   3           H        VAL   3  -5.264   5.166  -2.257
   18    HA   VAL   3           HA       VAL   3  -4.139   5.689  -4.879
   19    HB   VAL   3           HB       VAL   3  -6.554   7.028  -3.655
   20   1HG1  VAL   3          1HG1      VAL   3  -5.457   6.590  -6.307
   21   2HG1  VAL   3          3HG1      VAL   3  -7.093   5.941  -6.185
   22   3HG1  VAL   3          2HG1      VAL   3  -6.788   7.637  -5.812
   23   1HG2  VAL   3          3HG2      VAL   3  -6.077   4.127  -4.142
   24   2HG2  VAL   3          2HG2      VAL   3  -7.144   4.909  -2.975
   25   3HG2  VAL   3          1HG2      VAL   3  -7.631   4.776  -4.666
   26    H    GLU   4           H        GLU   4  -3.965   7.297  -1.855
   27    HA   GLU   4           HA       GLU   4  -3.368   9.919  -3.151
   28   1HB   GLU   4          2HB       GLU   4  -5.061  10.012  -1.470
   29   2HB   GLU   4          1HB       GLU   4  -4.111   9.020  -0.363
   30   1HG   GLU   4          2HG       GLU   4  -2.913  10.793   0.376
   31   2HG   GLU   4          1HG       GLU   4  -2.704  11.435  -1.255
   32    H    GLN   5           H        GLN   5  -1.731   7.235  -1.706
   33    HA   GLN   5           HA       GLN   5   0.525   8.977  -0.861
   34   1HB   GLN   5          2HB       GLN   5  -0.663   6.803   0.281
   35   2HB   GLN   5          1HB       GLN   5   0.711   6.038  -0.517
   36   1HG   GLN   5          2HG       GLN   5   1.920   6.688   1.272
   37   2HG   GLN   5          1HG       GLN   5   1.835   8.310   0.583
   38   1HE2  GLN   5          2HE2      GLN   5   0.491   8.930   3.888
   39   2HE2  GLN   5          1HE2      GLN   5   1.967   8.828   3.058
   40    H    CYS   6           H        CYS   6  -0.088   6.281  -3.193
   41    HA   CYS   6           HA       CYS   6   2.684   6.656  -4.189
   42   1HB   CYS   6          2HB       CYS   6   0.828   4.662  -5.446
   43   2HB   CYS   6          1HB       CYS   6   2.525   4.539  -5.048
   44    H    CYS   7           H        CYS   7  -0.532   7.683  -5.072
   45    HA   CYS   7           HA       CYS   7   0.371   8.195  -7.872
   46   1HB   CYS   7          2HB       CYS   7  -1.975   7.457  -7.233
   47   2HB   CYS   7          1HB       CYS   7  -2.169   8.997  -6.456
   48    H    THR   8           H        THR   8  -0.919  10.047  -5.129
   49    HA   THR   8           HA       THR   8   0.042  12.602  -6.228
   50    HB   THR   8           HB       THR   8  -1.315  11.722  -3.661
   51    HG1  THR   8           HG1      THR   8  -2.192  12.955  -6.057
   52   1HG2  THR   8          1HG2      THR   8  -0.062  14.245  -4.393
   53   2HG2  THR   8          3HG2      THR   8  -1.785  14.446  -4.078
   54   3HG2  THR   8          2HG2      THR   8  -0.740  13.744  -2.845
   55    H    SER   9           H        SER   9   1.979  10.380  -5.337
   56    HA   SER   9           HA       SER   9   4.098  11.917  -4.336
   57   1HB   SER   9          2HB       SER   9   2.934  12.451  -2.357
   58   2HB   SER   9          1HB       SER   9   2.169  10.866  -2.269
   59    HG   SER   9           HG       SER   9   4.367  11.674  -1.071
   60    H    ILE  10           H        ILE  10   5.423  10.159  -2.649
   61    HA   ILE  10           HA       ILE  10   5.521   7.662  -4.302
   62    HB   ILE  10           HB       ILE  10   7.608   9.133  -2.668
   63   1HG1  ILE  10          2HG1      ILE  10   8.280   8.826  -5.426
   64   2HG1  ILE  10          1HG1      ILE  10   6.637   9.465  -5.343
   65   1HG2  ILE  10          1HG2      ILE  10   7.492   6.412  -3.651
   66   2HG2  ILE  10          3HG2      ILE  10   8.817   7.293  -4.414
   67   3HG2  ILE  10          2HG2      ILE  10   8.728   7.182  -2.656
   68   1HD1  ILE  10          2HD1      ILE  10   7.583  11.113  -3.583
   69   2HD1  ILE  10          1HD1      ILE  10   9.167  10.643  -4.201
   70   3HD1  ILE  10          3HD1      ILE  10   7.991  11.398  -5.276
   71    H    CYS  11           H        CYS  11   4.747   5.903  -3.221
   72    HA   CYS  11           HA       CYS  11   4.917   5.903  -0.224
   73   1HB   CYS  11          2HB       CYS  11   2.917   4.587  -0.255
   74   2HB   CYS  11          1HB       CYS  11   2.671   5.801  -1.485
   75    H    SER  12           H        SER  12   5.627   3.871   0.794
   76    HA   SER  12           HA       SER  12   7.607   2.481  -0.914
   77   1HB   SER  12          2HB       SER  12   7.810   1.499   1.655
   78   2HB   SER  12          1HB       SER  12   8.727   2.835   0.988
   79    HG   SER  12           HG       SER  12   7.680   3.536   2.844
   80    H    LEU  13           H        LEU  13   8.001   0.155  -0.114
   81    HA   LEU  13           HA       LEU  13   5.737  -1.432  -0.991
   82   1HB   LEU  13          2HB       LEU  13   7.354  -3.041  -1.232
   83   2HB   LEU  13          1HB       LEU  13   8.443  -1.678  -1.010
   84    HG   LEU  13           HG       LEU  13   7.442  -3.385   1.285
   85   1HD1  LEU  13          3HD1      LEU  13   8.941  -4.449  -0.634
   86   2HD1  LEU  13          2HD1      LEU  13  10.225  -3.585   0.210
   87   3HD1  LEU  13          1HD1      LEU  13   9.264  -4.791   1.065
   88   1HD2  LEU  13          2HD2      LEU  13   8.629  -0.899   1.279
   89   2HD2  LEU  13          1HD2      LEU  13   8.719  -2.048   2.614
   90   3HD2  LEU  13          3HD2      LEU  13  10.021  -1.966   1.428
   91    H    TYR  14           H        TYR  14   7.038  -0.520   2.117
   92    HA   TYR  14           HA       TYR  14   5.424  -2.467   3.605
   93   1HB   TYR  14          2HB       TYR  14   7.616  -1.707   4.435
   94   2HB   TYR  14          1HB       TYR  14   7.045  -0.036   4.446
   95    HD1  TYR  14           HD1      TYR  14   6.649  -3.376   6.003
   96    HD2  TYR  14           HD2      TYR  14   5.561   0.781   6.164
   97    HE1  TYR  14           HE1      TYR  14   5.685  -3.716   8.264
   98    HE2  TYR  14           HE2      TYR  14   4.596   0.439   8.426
   99    HH   TYR  14           HH       TYR  14   4.693  -2.768   9.999
  100    H    GLN  15           H        GLN  15   5.283   0.855   2.502
  101    HA   GLN  15           HA       GLN  15   3.054   1.716   4.134
  102   1HB   GLN  15          2HB       GLN  15   4.789   2.669   2.030
  103   2HB   GLN  15          1HB       GLN  15   3.122   3.046   1.605
  104   1HG   GLN  15          2HG       GLN  15   4.167   3.593   4.376
  105   2HG   GLN  15          1HG       GLN  15   4.421   4.749   3.073
  106   1HE2  GLN  15          2HE2      GLN  15   0.803   4.517   4.842
  107   2HE2  GLN  15          1HE2      GLN  15   2.145   3.641   5.404
  108    H    LEU  16           H        LEU  16   3.470   0.155   1.005
  109    HA   LEU  16           HA       LEU  16   0.657   0.073   0.287
  110   1HB   LEU  16          2HB       LEU  16   2.936  -0.134  -1.060
  111   2HB   LEU  16          1HB       LEU  16   2.777  -1.843  -0.662
  112    HG   LEU  16           HG       LEU  16   0.541  -1.881  -1.708
  113   1HD1  LEU  16          3HD1      LEU  16   1.185   1.020  -2.317
  114   2HD1  LEU  16          2HD1      LEU  16  -0.127   0.117  -3.072
  115   3HD1  LEU  16          1HD1      LEU  16  -0.153   0.421  -1.337
  116   1HD2  LEU  16          3HD2      LEU  16   2.643  -2.300  -3.030
  117   2HD2  LEU  16          2HD2      LEU  16   1.300  -1.704  -4.004
  118   3HD2  LEU  16          1HD2      LEU  16   2.602  -0.613  -3.534
  119    H    GLU  17           H        GLU  17   2.800  -1.702   2.324
  120    HA   GLU  17           HA       GLU  17   1.654  -4.294   2.421
  121   1HB   GLU  17          2HB       GLU  17   3.690  -3.010   3.573
  122   2HB   GLU  17          1HB       GLU  17   2.545  -2.889   4.901
  123   1HG   GLU  17          2HG       GLU  17   3.524  -5.419   3.562
  124   2HG   GLU  17          1HG       GLU  17   3.799  -4.908   5.227
  125    H    ASN  18           H        ASN  18   0.671  -1.263   3.913
  126    HA   ASN  18           HA       ASN  18  -1.278  -2.342   5.741
  127   1HB   ASN  18          2HB       ASN  18  -0.231   0.189   4.817
  128   2HB   ASN  18          1HB       ASN  18  -1.984   0.281   4.988
  129   1HD2  ASN  18          2HD2      ASN  18  -0.269   0.945   8.310
  130   2HD2  ASN  18          1HD2      ASN  18  -0.041   1.600   6.761
  131    H    TYR  19           H        TYR  19  -1.606  -3.333   2.882
  132    HA   TYR  19           HA       TYR  19  -4.466  -2.538   2.601
  133   1HB   TYR  19          2HB       TYR  19  -2.291  -2.668   0.493
  134   2HB   TYR  19          1HB       TYR  19  -4.009  -2.546   0.104
  135    HD1  TYR  19           HD2      TYR  19  -5.318  -0.664   1.463
  136    HD2  TYR  19           HD1      TYR  19  -1.082  -0.680   0.745
  137    HE1  TYR  19           HE2      TYR  19  -5.236   1.780   1.881
  138    HE2  TYR  19           HE1      TYR  19  -0.997   1.761   1.164
  139    HH   TYR  19           HH       TYR  19  -2.335   3.465   2.384
  140    H    CYS  20           H        CYS  20  -1.971  -5.008   2.307
  141    HA   CYS  20           HA       CYS  20  -3.950  -6.988   1.307
  142   1HB   CYS  20          2HB       CYS  20  -1.912  -8.370   1.060
  143   2HB   CYS  20          1HB       CYS  20  -1.698  -6.795   0.296
  144    H    ASN  21           HN       ASN  21  -3.498  -9.261   2.489
  145    HA   ASN  21           HA       ASN  21  -3.945 -10.465   4.479
  146   1HB   ASN  21          2HB       ASN  21  -1.909  -8.426   5.439
  147   2HB   ASN  21          1HB       ASN  21  -2.235  -9.991   6.188
  148   1HD2  ASN  21          2HD2      ASN  21  -1.023 -11.491   2.881
  149   2HD2  ASN  21          1HD2      ASN  21  -2.589 -11.333   3.518
  150   1H    PHE   1          1H        PHE  22  10.510  -1.809 -10.113
  151   2H    PHE   1          3H        PHE  22  11.003  -3.176  -9.238
  152   3H    PHE   1          2H        PHE  22   9.387  -3.028  -9.739
  153    HA   PHE   1           HA       PHE  22   8.881  -1.428  -8.153
  154   1HB   PHE   1          2HB       PHE  22   9.194  -3.595  -7.151
  155   2HB   PHE   1          1HB       PHE  22  10.947  -3.405  -7.151
  156    HD1  PHE   1           HD1      PHE  22   8.198  -1.064  -6.143
  157    HD2  PHE   1           HD2      PHE  22  11.665  -3.294  -4.927
  158    HE1  PHE   1           HE1      PHE  22   8.087  -0.012  -3.898
  159    HE2  PHE   1           HE2      PHE  22  11.554  -2.242  -2.682
  160    HZ   PHE   1           HZ       PHE  22   9.764  -0.602  -2.168
  161    H    VAL   2           H        VAL  23   9.429   0.640  -7.577
  162    HA   VAL   2           HA       VAL  23  12.192   1.319  -6.797
  163    HB   VAL   2           HB       VAL  23  12.288   3.080  -8.610
  164   1HG1  VAL   2          1HG1      VAL  23  13.358   0.779  -8.772
  165   2HG1  VAL   2          3HG1      VAL  23  11.954   0.279  -9.713
  166   3HG1  VAL   2          2HG1      VAL  23  13.013   1.553 -10.318
  167   1HG2  VAL   2          2HG2      VAL  23   9.729   1.672  -9.355
  168   2HG2  VAL   2          1HG2      VAL  23  10.052   3.404  -9.264
  169   3HG2  VAL   2          3HG2      VAL  23  10.713   2.452 -10.593
  170    H    ASN   3           H        ASN  24  12.091   2.935  -5.261
  171    HA   ASN   3           HA       ASN  24   9.751   3.912  -4.098
  172   1HB   ASN   3          2HB       ASN  24  12.452   5.260  -4.440
  173   2HB   ASN   3          1HB       ASN  24  11.250   5.710  -3.230
  174   1HD2  ASN   3          2HD2      ASN  24  13.773   2.788  -2.317
  175   2HD2  ASN   3          1HD2      ASN  24  14.042   3.958  -3.519
  176    H    GLN   4           H        GLN  25   8.135   4.702  -5.490
  177    HA   GLN   4           HA       GLN  25   8.587   7.370  -6.650
  178   1HB   GLN   4          2HB       GLN  25   9.471   5.528  -8.210
  179   2HB   GLN   4          1HB       GLN  25   7.793   5.040  -8.430
  180   1HG   GLN   4          2HG       GLN  25   7.303   6.870  -9.715
  181   2HG   GLN   4          1HG       GLN  25   8.340   7.937  -8.769
  182   1HE2  GLN   4          2HE2      GLN  25  10.265   5.611 -11.572
  183   2HE2  GLN   4          1HE2      GLN  25   9.011   4.926 -10.656
  184    H    HIS   5           H        HIS  26   6.304   7.507  -8.261
  185    HA   HIS   5           HA       HIS  26   4.143   7.151  -6.263
  186   1HB   HIS   5          2HB       HIS  26   3.711   8.524  -8.890
  187   2HB   HIS   5          1HB       HIS  26   3.122   8.961  -7.300
  188    HD1  HIS   5           HD1      HIS  26   4.284  10.836  -6.168
  189    HD2  HIS   5           HD2      HIS  26   6.674   9.135  -9.127
  190    HE1  HIS   5           HE1      HIS  26   6.367  12.260  -6.309
  191    H    LEU   6           H        LEU  27   2.625   5.555  -6.565
  192    HA   LEU   6           HA       LEU  27   2.734   4.014  -9.100
  193   1HB   LEU   6          2HB       LEU  27   1.839   3.271  -6.315
  194   2HB   LEU   6          1HB       LEU  27   1.954   2.158  -7.665
  195    HG   LEU   6           HG       LEU  27   4.378   3.753  -6.952
  196   1HD1  LEU   6          1HD1      LEU  27   2.982   1.961  -5.130
  197   2HD1  LEU   6          3HD1      LEU  27   4.580   1.333  -5.536
  198   3HD1  LEU   6          2HD1      LEU  27   4.417   2.944  -4.837
  199   1HD2  LEU   6          1HD2      LEU  27   4.218   2.197  -8.908
  200   2HD2  LEU   6          3HD2      LEU  27   5.478   1.750  -7.759
  201   3HD2  LEU   6          2HD2      LEU  27   3.947   0.873  -7.775
  202    H    CYS   7           H        CYS  28   0.829   6.339  -8.720
  203    HA   CYS   7           HA       CYS  28  -1.706   6.179  -8.171
  204   1HB   CYS   7          2HB       CYS  28  -0.423   7.341 -10.198
  205   2HB   CYS   7          1HB       CYS  28  -1.372   6.169 -11.117
  206    H    GLY   8           H        GLY  29  -3.213   4.755  -7.890
  207   1HA   GLY   8          2HA       GLY  29  -3.781   2.369  -7.793
  208   2HA   GLY   8          1HA       GLY  29  -4.785   3.129  -9.002
  209    H    SER   9           H        SER  30  -3.616   3.037 -11.384
  210    HA   SER   9           HA       SER  30  -3.391   0.345 -12.093
  211   1HB   SER   9          2HB       SER  30  -2.855   2.977 -13.240
  212   2HB   SER   9          1HB       SER  30  -1.799   1.734 -13.905
  213    HG   SER   9           HG       SER  30  -3.964   0.517 -13.967
  214    H    HIS  10           H        HIS  31  -0.848   2.574 -11.056
  215    HA   HIS  10           HA       HIS  31   1.275   0.600 -11.543
  216   1HB   HIS  10          2HB       HIS  31   0.955   3.376 -10.519
  217   2HB   HIS  10          1HB       HIS  31   2.360   2.488  -9.935
  218    HD1  HIS  10           HD1      HIS  31   4.191   3.552 -11.331
  219    HD2  HIS  10           HD2      HIS  31   0.963   2.283 -13.643
  220    HE1  HIS  10           HE1      HIS  31   4.898   3.808 -13.750
  221    H    LEU  11           H        LEU  32  -0.675   1.839  -8.911
  222    HA   LEU  11           HA       LEU  32   0.576   0.443  -6.748
  223   1HB   LEU  11          2HB       LEU  32  -2.078   1.677  -7.357
  224   2HB   LEU  11          1HB       LEU  32  -1.951   0.650  -5.934
  225    HG   LEU  11           HG       LEU  32  -0.060   2.935  -6.502
  226   1HD1  LEU  11          3HD1      LEU  32  -2.665   2.764  -5.043
  227   2HD1  LEU  11          2HD1      LEU  32  -1.382   3.757  -4.350
  228   3HD1  LEU  11          1HD1      LEU  32  -1.989   4.104  -5.969
  229   1HD2  LEU  11          2HD2      LEU  32   0.077   0.664  -4.853
  230   2HD2  LEU  11          1HD2      LEU  32   1.116   2.087  -4.779
  231   3HD2  LEU  11          3HD2      LEU  32  -0.333   2.000  -3.776
  232    H    VAL  12           H        VAL  33  -2.403  -0.376  -8.654
  233    HA   VAL  12           HA       VAL  33  -2.929  -2.787  -7.424
  234    HB   VAL  12           HB       VAL  33  -3.361  -1.531 -10.047
  235   1HG1  VAL  12          1HG1      VAL  33  -3.407  -4.509  -9.693
  236   2HG1  VAL  12          3HG1      VAL  33  -4.544  -3.727 -10.790
  237   3HG1  VAL  12          2HG1      VAL  33  -2.809  -3.566 -11.058
  238   1HG2  VAL  12          1HG2      VAL  33  -4.866  -1.460  -8.004
  239   2HG2  VAL  12          3HG2      VAL  33  -5.660  -1.921  -9.510
  240   3HG2  VAL  12          2HG2      VAL  33  -5.232  -3.155  -8.323
  241    H    GLU  13           H        GLU  34  -0.357  -1.987  -9.690
  242    HA   GLU  13           HA       GLU  34   0.441  -4.831  -9.915
  243   1HB   GLU  13          2HB       GLU  34   0.501  -3.221 -11.834
  244   2HB   GLU  13          1HB       GLU  34   1.732  -2.299 -10.970
  245   1HG   GLU  13          2HG       GLU  34   2.704  -4.897 -10.876
  246   2HG   GLU  13          1HG       GLU  34   2.004  -4.784 -12.491
  247    H    ALA  14           H        ALA  35   1.123  -2.112  -7.888
  248    HA   ALA  14           HA       ALA  35   3.759  -3.266  -7.074
  249   1HB   ALA  14          2HB       ALA  35   2.543  -0.632  -7.248
  250   2HB   ALA  14          1HB       ALA  35   3.095  -0.932  -5.600
  251   3HB   ALA  14          3HB       ALA  35   4.231  -1.043  -6.943
  252    H    LEU  15           H        LEU  36   0.452  -2.973  -6.223
  253    HA   LEU  15           HA       LEU  36   0.895  -3.603  -3.379
  254   1HB   LEU  15          2HB       LEU  36  -0.838  -2.123  -3.657
  255   2HB   LEU  15          1HB       LEU  36  -1.183  -2.692  -5.246
  256    HG   LEU  15           HG       LEU  36  -2.408  -4.584  -4.450
  257   1HD1  LEU  15          1HD1      LEU  36  -0.719  -4.376  -2.234
  258   2HD1  LEU  15          3HD1      LEU  36  -2.314  -3.977  -1.595
  259   3HD1  LEU  15          2HD1      LEU  36  -2.053  -5.516  -2.418
  260   1HD2  LEU  15          2HD2      LEU  36  -3.013  -1.924  -3.214
  261   2HD2  LEU  15          1HD2      LEU  36  -3.913  -2.821  -4.435
  262   3HD2  LEU  15          3HD2      LEU  36  -3.992  -3.314  -2.744
  263    H    TYR  16           H        TYR  37   0.250  -5.167  -6.424
  264    HA   TYR  16           HA       TYR  37  -0.703  -7.678  -5.182
  265   1HB   TYR  16          2HB       TYR  37  -1.488  -7.907  -7.315
  266   2HB   TYR  16          1HB       TYR  37  -0.671  -6.425  -7.767
  267    HD1  TYR  16           HD1      TYR  37   0.157 -10.030  -7.063
  268    HD2  TYR  16           HD2      TYR  37   0.971  -6.553  -9.460
  269    HE1  TYR  16           HE1      TYR  37   1.756 -11.339  -8.426
  270    HE2  TYR  16           HE2      TYR  37   2.566  -7.868 -10.822
  271    HH   TYR  16           HH       TYR  37   3.374 -11.218  -9.979
  272    H    LEU  17           H        LEU  38   2.167  -6.309  -6.748
  273    HA   LEU  17           HA       LEU  38   3.750  -8.693  -6.683
  274   1HB   LEU  17          2HB       LEU  38   3.970  -5.977  -7.452
  275   2HB   LEU  17          1HB       LEU  38   5.257  -6.244  -6.327
  276    HG   LEU  17           HG       LEU  38   6.356  -6.887  -8.238
  277   1HD1  LEU  17          1HD1      LEU  38   5.690  -8.950  -6.589
  278   2HD1  LEU  17          3HD1      LEU  38   5.070  -9.551  -8.126
  279   3HD1  LEU  17          2HD1      LEU  38   6.773  -9.115  -7.973
  280   1HD2  LEU  17          2HD2      LEU  38   3.789  -6.839  -9.331
  281   2HD2  LEU  17          1HD2      LEU  38   5.291  -7.124 -10.211
  282   3HD2  LEU  17          3HD2      LEU  38   4.347  -8.489  -9.614
  283    H    VAL  18           H        VAL  39   3.055  -6.084  -4.440
  284    HA   VAL  18           HA       VAL  39   5.234  -6.848  -2.719
  285    HB   VAL  18           HB       VAL  39   4.214  -4.517  -3.216
  286   1HG1  VAL  18          2HG1      VAL  39   1.921  -5.604  -2.305
  287   2HG1  VAL  18          1HG1      VAL  39   2.544  -4.948  -0.791
  288   3HG1  VAL  18          3HG1      VAL  39   2.271  -3.882  -2.168
  289   1HG2  VAL  18          2HG2      VAL  39   5.111  -5.591  -0.560
  290   2HG2  VAL  18          1HG2      VAL  39   5.955  -4.507  -1.666
  291   3HG2  VAL  18          3HG2      VAL  39   4.618  -3.902  -0.688
  292    H    CYS  19           H        CYS  40   1.874  -7.602  -3.015
  293    HA   CYS  19           HA       CYS  40   1.994  -9.314  -0.566
  294   1HB   CYS  19          2HB       CYS  40   0.488  -6.815  -1.007
  295   2HB   CYS  19          1HB       CYS  40  -0.488  -8.151  -0.406
  296    H    GLY  20           H        GLY  41   2.035 -10.486  -3.081
  297   1HA   GLY  20          2HA       GLY  41  -0.707 -10.862  -4.018
  298   2HA   GLY  20          1HA       GLY  41   0.752 -11.535  -4.742
  299    H    GLU  21           H        GLU  42  -1.295 -13.213  -4.462
  300    HA   GLU  21           HA       GLU  42  -1.718 -15.414  -3.686
  301   1HB   GLU  21          2HB       GLU  42   0.872 -15.222  -3.475
  302   2HB   GLU  21          1HB       GLU  42   0.560 -15.011  -1.751
  303   1HG   GLU  21          2HG       GLU  42  -0.373 -17.153  -1.526
  304   2HG   GLU  21          1HG       GLU  42  -0.699 -17.295  -3.254
  305    H    ARG  22           H        ARG  43  -2.018 -12.611  -1.955
  306    HA   ARG  22           HA       ARG  43  -3.485 -14.011   0.250
  307   1HB   ARG  22          2HB       ARG  43  -1.515 -11.719   0.318
  308   2HB   ARG  22          1HB       ARG  43  -2.636 -12.019   1.647
  309   1HG   ARG  22          2HG       ARG  43  -0.786 -14.147   0.549
  310   2HG   ARG  22          1HG       ARG  43  -0.350 -13.100   1.899
  311   1HD   ARG  22          2HD       ARG  43  -2.348 -13.888   3.149
  312   2HD   ARG  22          1HD       ARG  43  -2.741 -14.976   1.802
  313    HE   ARG  22           HE       ARG  43   0.000 -15.207   2.866
  314   1HH1  ARG  22          1HH2      ARG  43  -1.997 -17.163   1.380
  315   2HH1  ARG  22          2HH2      ARG  43  -2.169 -18.365   2.614
  316   1HH2  ARG  22          2HH1      ARG  43  -0.751 -16.397   5.093
  317   2HH2  ARG  22          1HH1      ARG  43  -1.462 -17.931   4.718
  318    H    GLY  23           H        GLY  44  -3.661 -11.897  -2.343
  319   1HA   GLY  23          2HA       GLY  44  -5.240 -10.304  -3.024
  320   2HA   GLY  23          1HA       GLY  44  -6.354 -11.169  -1.967
  321    H    PHE  24           H        PHE  45  -6.647  -8.464  -2.179
  322    HA   PHE  24           HA       PHE  45  -6.058  -7.588   0.584
  323   1HB   PHE  24          2HB       PHE  45  -5.069  -5.439  -0.369
  324   2HB   PHE  24          1HB       PHE  45  -4.072  -6.874  -0.583
  325    HD1  PHE  24           HD1      PHE  45  -6.753  -4.907  -2.316
  326    HD2  PHE  24           HD2      PHE  45  -3.300  -7.433  -2.721
  327    HE1  PHE  24           HE1      PHE  45  -6.800  -4.578  -4.776
  328    HE2  PHE  24           HE2      PHE  45  -3.349  -7.103  -5.179
  329    HZ   PHE  24           HZ       PHE  45  -5.099  -5.680  -6.206
  330    H    PHE  25           H        PHE  46  -6.760  -4.833   0.053
  331    HA   PHE  25           HA       PHE  46  -9.502  -5.068  -1.118
  332   1HB   PHE  25          2HB       PHE  46  -9.523  -5.435   1.349
  333   2HB   PHE  25          1HB       PHE  46  -8.774  -3.853   1.566
  334    HD1  PHE  25           HD1      PHE  46 -11.675  -5.380  -0.273
  335    HD2  PHE  25           HD2      PHE  46 -10.183  -2.051   1.997
  336    HE1  PHE  25           HE1      PHE  46 -13.907  -4.302  -0.389
  337    HE2  PHE  25           HE2      PHE  46 -12.415  -0.971   1.882
  338    HZ   PHE  25           HZ       PHE  46 -14.275  -2.096   0.687
  339    H    TYR  26           H        TYR  47  -8.367  -3.807  -2.884
  340    HA   TYR  26           HA       TYR  47  -8.378  -0.895  -2.201
  341   1HB   TYR  26          2HB       TYR  47  -6.066  -1.395  -2.201
  342   2HB   TYR  26          1HB       TYR  47  -6.225  -2.544  -3.535
  343    HD1  TYR  26           HD1      TYR  47  -7.532   0.910  -3.058
  344    HD2  TYR  26           HD2      TYR  47  -5.031  -1.685  -5.389
  345    HE1  TYR  26           HE1      TYR  47  -7.195   2.730  -4.698
  346    HE2  TYR  26           HE2      TYR  47  -4.693   0.133  -7.040
  347    HH   TYR  26           HH       TYR  47  -5.256   3.285  -6.453
  348    H    THR  27           H        THR  48 -10.381  -0.649  -3.332
  349    HA   THR  27           HA       THR  48 -10.255  -1.170  -6.283
  350    HB   THR  27           HB       THR  48 -11.825  -2.604  -5.221
  351    HG1  THR  27           HG1      THR  48 -13.580  -0.557  -5.896
  352   1HG2  THR  27          1HG2      THR  48 -12.586  -0.098  -3.730
  353   2HG2  THR  27          3HG2      THR  48 -13.635  -1.515  -3.763
  354   3HG2  THR  27          2HG2      THR  48 -12.017  -1.632  -3.071
  355    HA   PRO  28           HA       PRO  49 -12.441   3.096  -5.488
  356   1HB   PRO  28          2HB       PRO  49 -11.029   4.758  -3.835
  357   2HB   PRO  28          1HB       PRO  49 -12.344   3.707  -3.270
  358   1HG   PRO  28          2HG       PRO  49  -9.405   3.322  -3.102
  359   2HG   PRO  28          1HG       PRO  49 -10.668   2.957  -1.924
  360   1HD   PRO  28          2HD       PRO  49  -9.501   1.072  -3.498
  361   2HD   PRO  28          1HD       PRO  49 -11.157   0.938  -2.865
  362    H    LYS  29           H        LYS  50 -11.897   5.048  -6.581
  363    HA   LYS  29           HA       LYS  50  -9.092   5.235  -7.625
  364   1HB   LYS  29          2HB       LYS  50 -11.698   4.893  -8.973
  365   2HB   LYS  29          1HB       LYS  50 -10.653   6.115  -9.687
  366   1HG   LYS  29          2HG       LYS  50  -8.935   3.982  -9.152
  367   2HG   LYS  29          1HG       LYS  50 -10.404   3.213  -9.757
  368   1HD   LYS  29          2HD       LYS  50  -9.945   3.880 -11.855
  369   2HD   LYS  29          1HD       LYS  50  -9.817   5.559 -11.330
  370   1HE   LYS  29          2HE       LYS  50  -7.648   5.138 -12.141
  371   2HE   LYS  29          1HE       LYS  50  -7.458   4.778 -10.414
  372   1HZ   LYS  29          1HZ       LYS  50  -8.139   2.454 -10.963
  373   2HZ   LYS  29          3HZ       LYS  50  -7.999   2.854 -12.605
  374   3HZ   LYS  29          2HZ       LYS  50  -6.631   2.911 -11.600
  375    H    THR  30           HN       THR  51  -8.366   7.152  -6.859
  376    HA   THR  30           HA       THR  51  -9.787   9.645  -7.416
  377    HB   THR  30           HB       THR  51  -9.483   8.579  -4.589
  378    HG1  THR  30           HG1      THR  51 -11.843   9.063  -4.756
  379   1HG2  THR  30          2HG2      THR  51  -9.461  11.264  -5.532
  380   2HG2  THR  30          1HG2      THR  51 -11.025  10.988  -4.764
  381   3HG2  THR  30          3HG2      THR  51  -9.537  10.704  -3.861
   
  No H/Q in entry =         381
  Start of MODEL    6
    1   1H    GLY   1          2H        GLY   1  -4.389   7.212   2.078
    2   2H    GLY   1          1H        GLY   1  -5.813   8.134   1.985
    3   3H    GLY   1          3H        GLY   1  -5.754   6.766   2.987
    4   1HA   GLY   1          2HA       GLY   1  -6.334   5.414   1.349
    5   2HA   GLY   1          1HA       GLY   1  -6.651   6.862   0.393
    6    H    ILE   2           H        ILE   2  -4.936   4.035   0.378
    7    HA   ILE   2           HA       ILE   2  -2.347   4.496  -0.475
    8    HB   ILE   2           HB       ILE   2  -3.293   2.284  -0.304
    9   1HG1  ILE   2          2HG1      ILE   2  -2.481   3.041  -3.099
   10   2HG1  ILE   2          1HG1      ILE   2  -1.487   2.306  -1.848
   11   1HG2  ILE   2          2HG2      ILE   2  -5.455   3.483  -1.692
   12   2HG2  ILE   2          1HG2      ILE   2  -4.880   2.148  -2.689
   13   3HG2  ILE   2          3HG2      ILE   2  -5.374   1.854  -1.022
   14   1HD1  ILE   2          2HD1      ILE   2  -3.624   0.541  -2.118
   15   2HD1  ILE   2          1HD1      ILE   2  -3.274   1.032  -3.776
   16   3HD1  ILE   2          3HD1      ILE   2  -2.006   0.314  -2.781
   17    H    VAL   3           H        VAL   3  -5.255   5.472  -2.147
   18    HA   VAL   3           HA       VAL   3  -4.064   5.806  -4.774
   19    HB   VAL   3           HB       VAL   3  -6.201   7.123  -5.111
   20   1HG1  VAL   3          1HG1      VAL   3  -6.244   4.355  -3.891
   21   2HG1  VAL   3          3HG1      VAL   3  -7.673   5.099  -4.606
   22   3HG1  VAL   3          2HG1      VAL   3  -6.252   4.784  -5.602
   23   1HG2  VAL   3          3HG2      VAL   3  -6.079   7.570  -2.437
   24   2HG2  VAL   3          2HG2      VAL   3  -7.583   7.644  -3.356
   25   3HG2  VAL   3          1HG2      VAL   3  -7.166   6.181  -2.463
   26    H    GLU   4           H        GLU   4  -3.840   7.590  -1.862
   27    HA   GLU   4           HA       GLU   4  -3.162  10.103  -3.336
   28   1HB   GLU   4          2HB       GLU   4  -3.442   9.776  -0.351
   29   2HB   GLU   4          1HB       GLU   4  -3.721  11.215  -1.332
   30   1HG   GLU   4          2HG       GLU   4  -5.499   9.375  -2.396
   31   2HG   GLU   4          1HG       GLU   4  -5.555   9.035  -0.667
   32    H    GLN   5           H        GLN   5  -1.680   7.428  -1.780
   33    HA   GLN   5           HA       GLN   5   0.714   9.035  -1.045
   34   1HB   GLN   5          2HB       GLN   5  -0.600   6.991   0.203
   35   2HB   GLN   5          1HB       GLN   5   0.696   6.103  -0.596
   36   1HG   GLN   5          2HG       GLN   5   1.526   6.773   1.559
   37   2HG   GLN   5          1HG       GLN   5   2.320   7.786   0.355
   38   1HE2  GLN   5          2HE2      GLN   5   1.051  10.045   3.044
   39   2HE2  GLN   5          1HE2      GLN   5   2.171   8.771   2.970
   40    H    CYS   6           H        CYS   6  -0.171   6.339  -3.284
   41    HA   CYS   6           HA       CYS   6   2.603   6.460  -4.337
   42   1HB   CYS   6          2HB       CYS   6   0.559   4.577  -5.480
   43   2HB   CYS   6          1HB       CYS   6   2.265   4.343  -5.170
   44    H    CYS   7           H        CYS   7  -0.628   7.559  -5.286
   45    HA   CYS   7           HA       CYS   7   0.354   7.987  -8.061
   46   1HB   CYS   7          2HB       CYS   7  -2.043   7.433  -7.436
   47   2HB   CYS   7          1HB       CYS   7  -2.137   9.002  -6.699
   48    H    THR   8           H        THR   8  -0.695   9.913  -5.290
   49    HA   THR   8           HA       THR   8   0.445  12.386  -6.456
   50    HB   THR   8           HB       THR   8  -1.139  11.676  -3.968
   51    HG1  THR   8           HG1      THR   8  -2.224  11.619  -5.987
   52   1HG2  THR   8          1HG2      THR   8   0.111  14.252  -4.867
   53   2HG2  THR   8          3HG2      THR   8  -1.448  14.301  -4.041
   54   3HG2  THR   8          2HG2      THR   8  -0.046  13.595  -3.237
   55    H    SER   9           H        SER   9   2.205  10.065  -5.415
   56    HA   SER   9           HA       SER   9   4.307  11.565  -4.275
   57   1HB   SER   9          2HB       SER   9   3.075  12.149  -2.382
   58   2HB   SER   9          1HB       SER   9   2.185  10.630  -2.370
   59    HG   SER   9           HG       SER   9   4.497  11.296  -1.132
   60    H    ILE  10           H        ILE  10   5.628   9.988  -2.623
   61    HA   ILE  10           HA       ILE  10   5.969   7.442  -4.123
   62    HB   ILE  10           HB       ILE  10   7.715   8.755  -2.023
   63   1HG1  ILE  10          2HG1      ILE  10   7.438  10.383  -3.768
   64   2HG1  ILE  10          1HG1      ILE  10   8.993   9.596  -4.057
   65   1HG2  ILE  10          2HG2      ILE  10   7.951   6.266  -2.911
   66   2HG2  ILE  10          1HG2      ILE  10   8.701   7.069  -4.291
   67   3HG2  ILE  10          3HG2      ILE  10   9.375   7.279  -2.676
   68   1HD1  ILE  10          2HD1      ILE  10   7.607   7.950  -5.524
   69   2HD1  ILE  10          1HD1      ILE  10   6.397   9.228  -5.518
   70   3HD1  ILE  10          3HD1      ILE  10   8.002   9.540  -6.179
   71    H    CYS  11           H        CYS  11   4.807   5.757  -3.192
   72    HA   CYS  11           HA       CYS  11   4.813   5.591  -0.193
   73   1HB   CYS  11          2HB       CYS  11   2.714   4.490  -0.361
   74   2HB   CYS  11          1HB       CYS  11   2.633   5.719  -1.599
   75    H    SER  12           H        SER  12   5.393   3.466   0.743
   76    HA   SER  12           HA       SER  12   7.139   1.931  -1.145
   77   1HB   SER  12          2HB       SER  12   7.868   1.258   1.426
   78   2HB   SER  12          1HB       SER  12   8.631   2.484   0.429
   79    HG   SER  12           HG       SER  12   7.608   2.952   2.676
   80    H    LEU  13           H        LEU  13   7.695  -0.261   0.058
   81    HA   LEU  13           HA       LEU  13   5.386  -1.959  -0.315
   82   1HB   LEU  13          2HB       LEU  13   7.175  -3.594   0.941
   83   2HB   LEU  13          1HB       LEU  13   7.200  -3.253  -0.779
   84    HG   LEU  13           HG       LEU  13   8.858  -1.475  -0.424
   85   1HD1  LEU  13          1HD1      LEU  13   8.154  -2.019   2.419
   86   2HD1  LEU  13          3HD1      LEU  13   9.848  -1.671   2.079
   87   3HD1  LEU  13          2HD1      LEU  13   8.604  -0.497   1.646
   88   1HD2  LEU  13          1HD2      LEU  13   9.472  -3.968  -0.600
   89   2HD2  LEU  13          3HD2      LEU  13  10.707  -2.883   0.037
   90   3HD2  LEU  13          2HD2      LEU  13   9.768  -3.892   1.137
   91    H    TYR  14           H        TYR  14   6.908  -0.583   2.524
   92    HA   TYR  14           HA       TYR  14   5.373  -2.228   4.391
   93   1HB   TYR  14          2HB       TYR  14   7.674  -1.012   4.660
   94   2HB   TYR  14          1HB       TYR  14   6.690   0.411   5.010
   95    HD1  TYR  14           HD2      TYR  14   4.709   0.004   6.728
   96    HD2  TYR  14           HD1      TYR  14   8.228  -2.446   6.424
   97    HE1  TYR  14           HE2      TYR  14   4.344  -0.810   9.042
   98    HE2  TYR  14           HE1      TYR  14   7.863  -3.259   8.741
   99    HH   TYR  14           HH       TYR  14   4.928  -2.605  10.474
  100    H    GLN  15           H        GLN  15   5.088   0.902   2.805
  101    HA   GLN  15           HA       GLN  15   2.826   1.820   4.396
  102   1HB   GLN  15          2HB       GLN  15   4.560   2.708   2.240
  103   2HB   GLN  15          1HB       GLN  15   2.880   3.074   1.853
  104   1HG   GLN  15          2HG       GLN  15   2.710   3.999   4.249
  105   2HG   GLN  15          1HG       GLN  15   4.473   3.943   4.266
  106   1HE2  GLN  15          2HE2      GLN  15   4.079   7.278   2.989
  107   2HE2  GLN  15          1HE2      GLN  15   4.295   6.395   4.422
  108    H    LEU  16           H        LEU  16   3.297   0.209   1.257
  109    HA   LEU  16           HA       LEU  16   0.478  -0.003   0.603
  110   1HB   LEU  16          2HB       LEU  16   2.923  -0.364  -0.632
  111   2HB   LEU  16          1HB       LEU  16   2.375  -2.026  -0.419
  112    HG   LEU  16           HG       LEU  16   0.141  -1.237  -1.420
  113   1HD1  LEU  16          3HD1      LEU  16   1.727   1.212  -1.483
  114   2HD1  LEU  16          2HD1      LEU  16   1.104   0.788  -3.077
  115   3HD1  LEU  16          1HD1      LEU  16  -0.006   0.998  -1.723
  116   1HD2  LEU  16          1HD2      LEU  16   2.077  -2.529  -2.561
  117   2HD2  LEU  16          3HD2      LEU  16   0.906  -1.734  -3.608
  118   3HD2  LEU  16          2HD2      LEU  16   2.476  -0.989  -3.320
  119    H    GLU  17           H        GLU  17   2.733  -1.670   2.611
  120    HA   GLU  17           HA       GLU  17   1.773  -4.282   2.869
  121   1HB   GLU  17          2HB       GLU  17   3.662  -2.838   4.008
  122   2HB   GLU  17          1HB       GLU  17   2.446  -2.586   5.255
  123   1HG   GLU  17          2HG       GLU  17   3.612  -5.213   4.316
  124   2HG   GLU  17          1HG       GLU  17   3.688  -4.506   5.930
  125    H    ASN  18           H        ASN  18   0.571  -1.322   4.431
  126    HA   ASN  18           HA       ASN  18  -1.450  -2.595   6.040
  127   1HB   ASN  18          2HB       ASN  18  -1.256   0.225   4.939
  128   2HB   ASN  18          1HB       ASN  18  -2.209  -0.279   6.335
  129   1HD2  ASN  18          2HD2      ASN  18   0.520   0.035   8.525
  130   2HD2  ASN  18          1HD2      ASN  18  -1.164  -0.021   8.311
  131    H    TYR  19           H        TYR  19  -1.684  -3.564   3.256
  132    HA   TYR  19           HA       TYR  19  -4.495  -2.717   2.794
  133   1HB   TYR  19          2HB       TYR  19  -2.171  -2.659   0.859
  134   2HB   TYR  19          1HB       TYR  19  -3.842  -2.724   0.292
  135    HD1  TYR  19           HD1      TYR  19  -1.376  -0.726   2.213
  136    HD2  TYR  19           HD2      TYR  19  -5.330  -0.829   0.526
  137    HE1  TYR  19           HE1      TYR  19  -1.622   1.703   2.636
  138    HE2  TYR  19           HE2      TYR  19  -5.574   1.602   0.953
  139    HH   TYR  19           HH       TYR  19  -3.859   3.284   3.016
  140    H    CYS  20           H        CYS  20  -1.935  -5.149   2.405
  141    HA   CYS  20           HA       CYS  20  -3.958  -7.129   1.465
  142   1HB   CYS  20          2HB       CYS  20  -1.956  -8.444   0.920
  143   2HB   CYS  20          1HB       CYS  20  -1.809  -6.821   0.249
  144    H    ASN  21           HN       ASN  21  -3.789  -9.328   2.556
  145    HA   ASN  21           HA       ASN  21  -3.829 -10.657   4.515
  146   1HB   ASN  21          2HB       ASN  21  -1.401  -9.260   4.333
  147   2HB   ASN  21          1HB       ASN  21  -1.917  -9.043   6.004
  148   1HD2  ASN  21          2HD2      ASN  21  -0.421 -12.588   4.880
  149   2HD2  ASN  21          1HD2      ASN  21  -0.323 -11.192   3.919
  150   1H    PHE   1          2H        PHE  22   9.745  -2.340  -9.598
  151   2H    PHE   1          1H        PHE  22   9.617  -3.577  -8.440
  152   3H    PHE   1          3H        PHE  22   8.330  -3.276  -9.502
  153    HA   PHE   1           HA       PHE  22   7.938  -1.119  -8.493
  154   1HB   PHE   1          2HB       PHE  22   6.680  -2.901  -7.588
  155   2HB   PHE   1          1HB       PHE  22   8.100  -3.645  -6.854
  156    HD1  PHE   1           HD1      PHE  22   6.891  -0.099  -6.769
  157    HD2  PHE   1           HD2      PHE  22   7.732  -3.671  -4.536
  158    HE1  PHE   1           HE1      PHE  22   6.445   1.120  -4.656
  159    HE2  PHE   1           HE2      PHE  22   7.287  -2.451  -2.425
  160    HZ   PHE   1           HZ       PHE  22   6.642  -0.058  -2.482
  161    H    VAL   2           H        VAL  23   8.830   0.591  -7.384
  162    HA   VAL   2           HA       VAL  23  11.026   0.152  -5.447
  163    HB   VAL   2           HB       VAL  23  12.470   1.744  -6.735
  164   1HG1  VAL   2          2HG1      VAL  23  12.613  -0.768  -6.987
  165   2HG1  VAL   2          1HG1      VAL  23  11.599  -0.616  -8.422
  166   3HG1  VAL   2          3HG1      VAL  23  13.193   0.140  -8.384
  167   1HG2  VAL   2          2HG2      VAL  23  10.031   2.121  -8.172
  168   2HG2  VAL   2          1HG2      VAL  23  11.572   2.942  -8.418
  169   3HG2  VAL   2          3HG2      VAL  23  11.216   1.454  -9.296
  170    H    ASN   3           H        ASN  24  11.809   2.717  -5.037
  171    HA   ASN   3           HA       ASN  24   9.552   3.935  -3.701
  172   1HB   ASN   3          2HB       ASN  24  12.448   4.349  -4.097
  173   2HB   ASN   3          1HB       ASN  24  11.538   5.836  -3.830
  174   1HD2  ASN   3          2HD2      ASN  24  11.577   3.010  -0.834
  175   2HD2  ASN   3          1HD2      ASN  24  11.799   2.509  -2.440
  176    H    GLN   4           H        GLN  25   7.948   4.493  -5.280
  177    HA   GLN   4           HA       GLN  25   8.495   6.962  -6.780
  178   1HB   GLN   4          2HB       GLN  25   9.311   4.865  -8.061
  179   2HB   GLN   4          1HB       GLN  25   7.601   4.497  -8.289
  180   1HG   GLN   4          2HG       GLN  25   7.499   5.984  -9.981
  181   2HG   GLN   4          1HG       GLN  25   8.037   7.269  -8.898
  182   1HE2  GLN   4          2HE2      GLN  25  10.742   5.477 -11.393
  183   2HE2  GLN   4          1HE2      GLN  25   9.196   4.806 -11.198
  184    H    HIS   5           H        HIS  26   6.263   7.075  -8.379
  185    HA   HIS   5           HA       HIS  26   4.058   6.903  -6.395
  186   1HB   HIS   5          2HB       HIS  26   3.688   8.151  -9.090
  187   2HB   HIS   5          1HB       HIS  26   3.107   8.693  -7.530
  188    HD1  HIS   5           HD1      HIS  26   4.448  10.396  -6.296
  189    HD2  HIS   5           HD2      HIS  26   6.530   8.797  -9.531
  190    HE1  HIS   5           HE1      HIS  26   6.585  11.735  -6.496
  191    H    LEU   6           H        LEU  27   2.432   5.394  -6.659
  192    HA   LEU   6           HA       LEU  27   2.517   3.719  -9.104
  193   1HB   LEU   6          2HB       LEU  27   1.466   3.112  -6.343
  194   2HB   LEU   6          1HB       LEU  27   1.718   1.952  -7.626
  195    HG   LEU   6           HG       LEU  27   4.028   3.634  -6.738
  196   1HD1  LEU   6          2HD1      LEU  27   2.666   2.423  -4.786
  197   2HD1  LEU   6          1HD1      LEU  27   3.532   1.011  -5.390
  198   3HD1  LEU   6          3HD1      LEU  27   4.429   2.414  -4.811
  199   1HD2  LEU   6          2HD2      LEU  27   3.499   1.377  -8.427
  200   2HD2  LEU   6          1HD2      LEU  27   5.016   2.247  -8.196
  201   3HD2  LEU   6          3HD2      LEU  27   4.609   0.890  -7.145
  202    H    CYS   7           H        CYS  28   0.731   6.142  -8.925
  203    HA   CYS   7           HA       CYS  28  -1.836   6.090  -8.391
  204   1HB   CYS   7          2HB       CYS  28  -0.436   7.170 -10.401
  205   2HB   CYS   7          1HB       CYS  28  -1.439   6.047 -11.326
  206    H    GLY   8           H        GLY  29  -3.472   4.789  -8.252
  207   1HA   GLY   8          2HA       GLY  29  -4.169   2.442  -8.104
  208   2HA   GLY   8          1HA       GLY  29  -5.018   3.189  -9.434
  209    H    SER   9           H        SER  30  -3.632   2.923 -11.687
  210    HA   SER   9           HA       SER  30  -3.477   0.162 -12.189
  211   1HB   SER   9          2HB       SER  30  -2.605   2.686 -13.523
  212   2HB   SER   9          1HB       SER  30  -2.006   1.166 -14.184
  213    HG   SER   9           HG       SER  30  -3.932   1.527 -15.172
  214    H    HIS  10           H        HIS  31  -0.955   2.379 -11.071
  215    HA   HIS  10           HA       HIS  31   1.132   0.327 -11.494
  216   1HB   HIS  10          2HB       HIS  31   0.903   3.145 -10.554
  217   2HB   HIS  10          1HB       HIS  31   2.256   2.210  -9.918
  218    HD1  HIS  10           HD1      HIS  31   0.712   2.157 -13.406
  219    HD2  HIS  10           HD2      HIS  31   4.366   2.940 -11.557
  220    HE1  HIS  10           HE1      HIS  31   2.383   2.567 -15.265
  221    H    LEU  11           H        LEU  32  -0.817   1.737  -8.930
  222    HA   LEU  11           HA       LEU  32   0.332   0.386  -6.699
  223   1HB   LEU  11          2HB       LEU  32  -2.324   1.549  -7.442
  224   2HB   LEU  11          1HB       LEU  32  -2.237   0.551  -5.997
  225    HG   LEU  11           HG       LEU  32  -0.366   2.867  -6.508
  226   1HD1  LEU  11          1HD1      LEU  32  -2.929   2.675  -4.911
  227   2HD1  LEU  11          3HD1      LEU  32  -1.745   3.964  -4.694
  228   3HD1  LEU  11          2HD1      LEU  32  -2.580   3.783  -6.237
  229   1HD2  LEU  11          1HD2      LEU  32  -0.466   0.656  -4.675
  230   2HD2  LEU  11          3HD2      LEU  32   0.745   1.932  -4.788
  231   3HD2  LEU  11          2HD2      LEU  32  -0.685   2.160  -3.781
  232    H    VAL  12           H        VAL  33  -2.551  -0.515  -8.706
  233    HA   VAL  12           HA       VAL  33  -3.001  -2.959  -7.460
  234    HB   VAL  12           HB       VAL  33  -3.551  -1.669 -10.046
  235   1HG1  VAL  12          1HG1      VAL  33  -3.535  -4.668  -9.765
  236   2HG1  VAL  12          3HG1      VAL  33  -4.596  -3.847 -10.909
  237   3HG1  VAL  12          2HG1      VAL  33  -2.846  -3.690 -11.062
  238   1HG2  VAL  12          3HG2      VAL  33  -5.059  -1.667  -8.057
  239   2HG2  VAL  12          2HG2      VAL  33  -5.828  -2.309  -9.507
  240   3HG2  VAL  12          1HG2      VAL  33  -5.254  -3.408  -8.253
  241    H    GLU  13           H        GLU  34  -0.486  -2.022  -9.732
  242    HA   GLU  13           HA       GLU  34   0.376  -4.837 -10.039
  243   1HB   GLU  13          2HB       GLU  34   1.354  -4.071 -11.957
  244   2HB   GLU  13          1HB       GLU  34   0.334  -2.661 -11.701
  245   1HG   GLU  13          2HG       GLU  34   2.375  -1.611 -11.915
  246   2HG   GLU  13          1HG       GLU  34   2.400  -1.910 -10.178
  247    H    ALA  14           H        ALA  35   0.995  -2.175  -7.953
  248    HA   ALA  14           HA       ALA  35   3.693  -3.242  -7.220
  249   1HB   ALA  14          2HB       ALA  35   3.287  -0.783  -7.718
  250   2HB   ALA  14          1HB       ALA  35   2.236  -0.737  -6.301
  251   3HB   ALA  14          3HB       ALA  35   3.953  -1.089  -6.115
  252    H    LEU  15           H        LEU  36   0.395  -3.027  -6.288
  253    HA   LEU  15           HA       LEU  36   0.916  -3.719  -3.470
  254   1HB   LEU  15          2HB       LEU  36  -0.860  -2.250  -3.712
  255   2HB   LEU  15          1HB       LEU  36  -1.260  -2.858  -5.271
  256    HG   LEU  15           HG       LEU  36  -2.472  -4.692  -4.435
  257   1HD1  LEU  15          2HD1      LEU  36  -0.627  -4.435  -2.234
  258   2HD1  LEU  15          1HD1      LEU  36  -2.276  -4.463  -1.611
  259   3HD1  LEU  15          3HD1      LEU  36  -1.693  -5.785  -2.621
  260   1HD2  LEU  15          2HD2      LEU  36  -2.892  -2.114  -2.961
  261   2HD2  LEU  15          1HD2      LEU  36  -3.920  -2.897  -4.161
  262   3HD2  LEU  15          3HD2      LEU  36  -3.860  -3.518  -2.512
  263    H    TYR  16           H        TYR  37   0.188  -5.202  -6.548
  264    HA   TYR  16           HA       TYR  37  -0.652  -7.770  -5.350
  265   1HB   TYR  16          2HB       TYR  37  -1.508  -7.943  -7.456
  266   2HB   TYR  16          1HB       TYR  37  -0.705  -6.456  -7.903
  267    HD1  TYR  16           HD1      TYR  37   0.167 -10.061  -7.273
  268    HD2  TYR  16           HD2      TYR  37   0.863  -6.550  -9.651
  269    HE1  TYR  16           HE1      TYR  37   1.735 -11.334  -8.703
  270    HE2  TYR  16           HE2      TYR  37   2.425  -7.824 -11.082
  271    HH   TYR  16           HH       TYR  37   3.003 -10.019 -11.670
  272    H    LEU  17           H        LEU  38   2.154  -6.349  -7.029
  273    HA   LEU  17           HA       LEU  38   3.777  -8.684  -7.061
  274   1HB   LEU  17          2HB       LEU  38   3.983  -5.912  -7.618
  275   2HB   LEU  17          1HB       LEU  38   5.252  -6.249  -6.492
  276    HG   LEU  17           HG       LEU  38   6.425  -6.754  -8.381
  277   1HD1  LEU  17          2HD1      LEU  38   5.672  -8.970  -7.020
  278   2HD1  LEU  17          1HD1      LEU  38   5.058  -9.376  -8.622
  279   3HD1  LEU  17          3HD1      LEU  38   6.770  -9.015  -8.400
  280   1HD2  LEU  17          1HD2      LEU  38   4.082  -6.326  -9.651
  281   2HD2  LEU  17          3HD2      LEU  38   5.508  -6.964 -10.468
  282   3HD2  LEU  17          2HD2      LEU  38   4.243  -8.062  -9.916
  283    H    VAL  18           H        VAL  39   2.993  -6.253  -4.664
  284    HA   VAL  18           HA       VAL  39   5.101  -7.181  -2.917
  285    HB   VAL  18           HB       VAL  39   4.216  -4.771  -3.336
  286   1HG1  VAL  18          1HG1      VAL  39   2.240  -5.794  -1.279
  287   2HG1  VAL  18          3HG1      VAL  39   2.481  -4.095  -1.677
  288   3HG1  VAL  18          2HG1      VAL  39   1.859  -5.207  -2.896
  289   1HG2  VAL  18          2HG2      VAL  39   5.090  -6.075  -0.806
  290   2HG2  VAL  18          1HG2      VAL  39   5.860  -4.783  -1.727
  291   3HG2  VAL  18          3HG2      VAL  39   4.491  -4.422  -0.676
  292    H    CYS  19           H        CYS  40   1.672  -7.631  -3.327
  293    HA   CYS  19           HA       CYS  40   1.604  -9.583  -1.073
  294   1HB   CYS  19          2HB       CYS  40   0.463  -6.866  -1.161
  295   2HB   CYS  19          1HB       CYS  40  -0.689  -8.108  -0.679
  296    H    GLY  20           H        GLY  41   1.440 -10.452  -3.688
  297   1HA   GLY  20          2HA       GLY  41  -1.249 -10.256  -4.755
  298   2HA   GLY  20          1HA       GLY  41   0.044 -11.266  -5.373
  299    H    GLU  21           H        GLU  42   0.506 -13.259  -4.080
  300    HA   GLU  21           HA       GLU  42  -1.613 -14.998  -3.814
  301   1HB   GLU  21          2HB       GLU  42   1.114 -14.927  -3.185
  302   2HB   GLU  21          1HB       GLU  42   0.323 -15.406  -1.684
  303   1HG   GLU  21          2HG       GLU  42  -0.841 -17.222  -2.831
  304   2HG   GLU  21          1HG       GLU  42  -0.160 -16.714  -4.376
  305    H    ARG  22           H        ARG  43  -0.685 -12.510  -1.532
  306    HA   ARG  22           HA       ARG  43  -2.477 -13.533   0.580
  307   1HB   ARG  22          2HB       ARG  43  -0.754 -11.055   0.277
  308   2HB   ARG  22          1HB       ARG  43  -1.630 -11.477   1.749
  309   1HG   ARG  22          2HG       ARG  43   0.417 -13.264   0.409
  310   2HG   ARG  22          1HG       ARG  43   0.755 -12.222   1.792
  311   1HD   ARG  22          2HD       ARG  43  -1.205 -13.428   2.966
  312   2HD   ARG  22          1HD       ARG  43  -1.056 -14.641   1.678
  313    HE   ARG  22           HE       ARG  43   1.162 -13.898   3.544
  314   1HH1  ARG  22          2HH1      ARG  43   2.835 -15.062   1.894
  315   2HH1  ARG  22          1HH1      ARG  43   2.541 -16.768   1.862
  316   1HH2  ARG  22          1HH2      ARG  43  -0.625 -16.514   3.257
  317   2HH2  ARG  22          2HH2      ARG  43   0.579 -17.590   2.629
  318    H    GLY  23           H        GLY  44  -2.756 -11.533  -2.173
  319   1HA   GLY  23          2HA       GLY  44  -4.463 -10.112  -2.930
  320   2HA   GLY  23          1HA       GLY  44  -5.516 -11.033  -1.857
  321    H    PHE  24           H        PHE  45  -6.225  -8.489  -1.991
  322    HA   PHE  24           HA       PHE  45  -5.620  -7.462   0.693
  323   1HB   PHE  24          2HB       PHE  45  -4.928  -5.214  -0.402
  324   2HB   PHE  24          1HB       PHE  45  -3.741  -6.516  -0.401
  325    HD1  PHE  24           HD1      PHE  45  -6.244  -4.719  -2.479
  326    HD2  PHE  24           HD2      PHE  45  -3.019  -7.559  -2.434
  327    HE1  PHE  24           HE1      PHE  45  -6.135  -4.637  -4.961
  328    HE2  PHE  24           HE2      PHE  45  -2.914  -7.478  -4.908
  329    HZ   PHE  24           HZ       PHE  45  -4.469  -6.019  -6.173
  330    H    PHE  25           H        PHE  46  -6.630  -4.918   0.432
  331    HA   PHE  25           HA       PHE  46  -9.217  -5.125  -1.017
  332   1HB   PHE  25          2HB       PHE  46  -9.534  -6.157   1.199
  333   2HB   PHE  25          1HB       PHE  46  -8.898  -4.702   1.973
  334    HD1  PHE  25           HD1      PHE  46 -11.649  -5.993  -0.183
  335    HD2  PHE  25           HD2      PHE  46 -10.270  -2.793   2.334
  336    HE1  PHE  25           HE1      PHE  46 -13.905  -4.964  -0.256
  337    HE2  PHE  25           HE2      PHE  46 -12.527  -1.764   2.262
  338    HZ   PHE  25           HZ       PHE  46 -14.344  -2.850   0.966
  339    H    TYR  26           H        TYR  47  -8.304  -3.332  -2.257
  340    HA   TYR  26           HA       TYR  47  -8.453  -0.736  -0.783
  341   1HB   TYR  26          2HB       TYR  47  -6.295  -0.272  -1.337
  342   2HB   TYR  26          1HB       TYR  47  -6.145  -1.986  -1.703
  343    HD1  TYR  26           HD1      TYR  47  -7.007   1.317  -3.189
  344    HD2  TYR  26           HD2      TYR  47  -5.761  -2.728  -3.930
  345    HE1  TYR  26           HE1      TYR  47  -6.593   1.885  -5.566
  346    HE2  TYR  26           HE2      TYR  47  -5.345  -2.161  -6.306
  347    HH   TYR  26           HH       TYR  47  -5.675   1.176  -7.488
  348    H    THR  27           H        THR  48  -9.806   0.703  -1.823
  349    HA   THR  27           HA       THR  48 -10.143   0.630  -4.726
  350    HB   THR  27           HB       THR  48 -11.870  -0.803  -4.764
  351    HG1  THR  27           HG1      THR  48 -13.497   0.484  -4.720
  352   1HG2  THR  27          1HG2      THR  48 -11.558  -0.709  -1.776
  353   2HG2  THR  27          3HG2      THR  48 -12.950  -1.526  -2.482
  354   3HG2  THR  27          2HG2      THR  48 -11.317  -2.060  -2.880
  355    HA   PRO  28           HA       PRO  49 -12.840   4.184  -3.100
  356   1HB   PRO  28          2HB       PRO  49 -13.173   4.477  -0.390
  357   2HB   PRO  28          1HB       PRO  49 -14.264   3.523  -1.414
  358   1HG   PRO  28          2HG       PRO  49 -12.058   2.621   0.359
  359   2HG   PRO  28          1HG       PRO  49 -13.643   1.905   0.060
  360   1HD   PRO  28          2HD       PRO  49 -11.356   0.973  -1.052
  361   2HD   PRO  28          1HD       PRO  49 -12.949   0.802  -1.810
  362    H    LYS  29           H        LYS  50 -12.202   6.336  -2.384
  363    HA   LYS  29           HA       LYS  50  -9.284   6.523  -1.847
  364   1HB   LYS  29          2HB       LYS  50 -11.200   8.772  -2.480
  365   2HB   LYS  29          1HB       LYS  50  -9.478   8.668  -2.844
  366   1HG   LYS  29          2HG       LYS  50 -11.746   7.159  -4.160
  367   2HG   LYS  29          1HG       LYS  50 -10.603   8.269  -4.914
  368   1HD   LYS  29          2HD       LYS  50  -8.957   6.365  -3.747
  369   2HD   LYS  29          1HD       LYS  50 -10.316   5.413  -4.343
  370   1HE   LYS  29          2HE       LYS  50  -9.695   7.310  -6.373
  371   2HE   LYS  29          1HE       LYS  50  -8.167   6.562  -5.865
  372   1HZ   LYS  29          2HZ       LYS  50 -10.645   5.011  -6.378
  373   2HZ   LYS  29          1HZ       LYS  50  -9.454   5.265  -7.562
  374   3HZ   LYS  29          3HZ       LYS  50  -9.073   4.408  -6.150
  375    H    THR  30           HN       THR  51  -9.196   6.199   0.442
  376    HA   THR  30           HA       THR  51  -9.945   8.553   2.038
  377    HB   THR  30           HB       THR  51 -10.993   5.968   3.092
  378    HG1  THR  30           HG1      THR  51 -12.144   5.666   1.378
  379   1HG2  THR  30          1HG2      THR  51 -11.470   8.871   3.337
  380   2HG2  THR  30          3HG2      THR  51 -12.930   7.879   3.358
  381   3HG2  THR  30          2HG2      THR  51 -11.653   7.593   4.539
   
  No H/Q in entry =         381
  Start of MODEL    7
    1   1H    GLY   1          3H        GLY   1  -6.930   5.633   2.715
    2   2H    GLY   1          2H        GLY   1  -7.643   6.663   1.568
    3   3H    GLY   1          1H        GLY   1  -8.583   5.493   2.363
    4   1HA   GLY   1          2HA       GLY   1  -7.500   3.717   1.254
    5   2HA   GLY   1          1HA       GLY   1  -7.970   4.902   0.035
    6    H    ILE   2           H        ILE   2  -5.809   3.041  -0.299
    7    HA   ILE   2           HA       ILE   2  -3.330   4.608   0.107
    8    HB   ILE   2           HB       ILE   2  -3.425   2.199   0.547
    9   1HG1  ILE   2          2HG1      ILE   2  -1.502   3.550  -0.976
   10   2HG1  ILE   2          1HG1      ILE   2  -1.268   2.056  -0.076
   11   1HG2  ILE   2          2HG2      ILE   2  -4.326   2.073  -2.312
   12   2HG2  ILE   2          1HG2      ILE   2  -3.617   0.676  -1.500
   13   3HG2  ILE   2          3HG2      ILE   2  -5.102   1.396  -0.881
   14   1HD1  ILE   2          2HD1      ILE   2  -2.294   2.140  -2.926
   15   2HD1  ILE   2          1HD1      ILE   2  -0.595   1.934  -2.505
   16   3HD1  ILE   2          3HD1      ILE   2  -1.775   0.719  -2.019
   17    H    VAL   3           H        VAL   3  -5.410   5.609  -1.766
   18    HA   VAL   3           HA       VAL   3  -4.041   5.292  -4.405
   19    HB   VAL   3           HB       VAL   3  -6.662   6.690  -3.902
   20   1HG1  VAL   3          1HG1      VAL   3  -5.132   5.785  -6.177
   21   2HG1  VAL   3          3HG1      VAL   3  -6.701   4.982  -6.156
   22   3HG1  VAL   3          2HG1      VAL   3  -6.612   6.743  -6.153
   23   1HG2  VAL   3          2HG2      VAL   3  -6.101   3.724  -3.852
   24   2HG2  VAL   3          1HG2      VAL   3  -7.087   4.674  -2.740
   25   3HG2  VAL   3          3HG2      VAL   3  -7.668   4.345  -4.372
   26    H    GLU   4           H        GLU   4  -4.076   7.351  -1.763
   27    HA   GLU   4           HA       GLU   4  -3.675   9.804  -3.416
   28   1HB   GLU   4          2HB       GLU   4  -5.345  10.077  -1.763
   29   2HB   GLU   4          1HB       GLU   4  -4.398   9.218  -0.547
   30   1HG   GLU   4          2HG       GLU   4  -3.175  11.062  -0.010
   31   2HG   GLU   4          1HG       GLU   4  -3.090  11.611  -1.685
   32    H    GLN   5           H        GLN   5  -1.809   7.468  -1.658
   33    HA   GLN   5           HA       GLN   5   0.303   9.498  -1.129
   34   1HB   GLN   5          2HB       GLN   5  -0.687   7.450   0.383
   35   2HB   GLN   5          1HB       GLN   5   0.748   6.687  -0.297
   36   1HG   GLN   5          2HG       GLN   5   0.843   9.437   0.947
   37   2HG   GLN   5          1HG       GLN   5   1.082   7.966   1.893
   38   1HE2  GLN   5          2HE2      GLN   5   4.510   8.642   0.988
   39   2HE2  GLN   5          1HE2      GLN   5   3.350   8.969   2.184
   40    H    CYS   6           H        CYS   6  -0.008   6.328  -2.914
   41    HA   CYS   6           HA       CYS   6   2.708   6.713  -3.952
   42   1HB   CYS   6          2HB       CYS   6   0.783   4.677  -5.068
   43   2HB   CYS   6          1HB       CYS   6   2.506   4.558  -4.798
   44    H    CYS   7           H        CYS   7  -0.507   7.639  -5.093
   45    HA   CYS   7           HA       CYS   7   0.514   7.932  -7.862
   46   1HB   CYS   7          2HB       CYS   7  -1.874   7.419  -7.337
   47   2HB   CYS   7          1HB       CYS   7  -1.992   8.952  -6.523
   48    H    THR   8           H        THR   8  -0.795  10.156  -5.430
   49    HA   THR   8           HA       THR   8   0.414  12.503  -6.697
   50    HB   THR   8           HB       THR   8  -1.228  11.866  -4.246
   51    HG1  THR   8           HG1      THR   8  -2.711  12.235  -5.657
   52   1HG2  THR   8          1HG2      THR   8   0.087  14.472  -5.010
   53   2HG2  THR   8          3HG2      THR   8  -1.411  14.444  -4.079
   54   3HG2  THR   8          2HG2      THR   8   0.044  13.684  -3.433
   55    H    SER   9           H        SER   9   2.002  10.160  -5.203
   56    HA   SER   9           HA       SER   9   4.184  11.816  -4.324
   57   1HB   SER   9          2HB       SER   9   2.604  12.339  -2.524
   58   2HB   SER   9          1HB       SER   9   2.359  10.626  -2.209
   59    HG   SER   9           HG       SER   9   4.096  12.115  -1.063
   60    H    ILE  10           H        ILE  10   5.578  10.248  -2.662
   61    HA   ILE  10           HA       ILE  10   5.731   7.635  -4.102
   62    HB   ILE  10           HB       ILE  10   7.727   9.282  -2.528
   63   1HG1  ILE  10          2HG1      ILE  10   8.504   8.728  -5.219
   64   2HG1  ILE  10          1HG1      ILE  10   6.847   9.334  -5.253
   65   1HG2  ILE  10          1HG2      ILE  10   7.750   6.485  -3.480
   66   2HG2  ILE  10          3HG2      ILE  10   9.185   7.425  -3.888
   67   3HG2  ILE  10          2HG2      ILE  10   8.697   7.248  -2.203
   68   1HD1  ILE  10          2HD1      ILE  10   8.410  10.867  -3.373
   69   2HD1  ILE  10          1HD1      ILE  10   9.215  10.845  -4.941
   70   3HD1  ILE  10          3HD1      ILE  10   7.555  11.425  -4.810
   71    H    CYS  11           H        CYS  11   4.977   5.931  -2.947
   72    HA   CYS  11           HA       CYS  11   5.098   6.076   0.046
   73   1HB   CYS  11          2HB       CYS  11   3.106   4.694   0.016
   74   2HB   CYS  11          1HB       CYS  11   2.873   5.946  -1.176
   75    H    SER  12           H        SER  12   5.737   3.979   1.141
   76    HA   SER  12           HA       SER  12   7.797   2.623  -0.539
   77   1HB   SER  12          2HB       SER  12   8.175   1.862   2.082
   78   2HB   SER  12          1HB       SER  12   8.964   3.207   1.280
   79    HG   SER  12           HG       SER  12   7.431   3.359   3.344
   80    H    LEU  13           H        LEU  13   8.353   0.411   0.715
   81    HA   LEU  13           HA       LEU  13   6.281  -1.436  -0.119
   82   1HB   LEU  13          2HB       LEU  13   7.914  -3.137   0.727
   83   2HB   LEU  13          1HB       LEU  13   8.629  -1.975  -0.383
   84    HG   LEU  13           HG       LEU  13   9.454  -0.676   1.615
   85   1HD1  LEU  13          1HD1      LEU  13   7.876  -2.759   2.967
   86   2HD1  LEU  13          3HD1      LEU  13   9.506  -2.580   3.616
   87   3HD1  LEU  13          2HD1      LEU  13   8.418  -1.193   3.571
   88   1HD2  LEU  13          3HD2      LEU  13  10.615  -2.695   0.325
   89   2HD2  LEU  13          2HD2      LEU  13  11.375  -1.947   1.729
   90   3HD2  LEU  13          1HD2      LEU  13  10.487  -3.461   1.908
   91    H    TYR  14           H        TYR  14   6.968   0.148   2.863
   92    HA   TYR  14           HA       TYR  14   5.472  -1.849   4.459
   93   1HB   TYR  14          2HB       TYR  14   7.544  -0.615   5.253
   94   2HB   TYR  14          1HB       TYR  14   6.580   0.864   5.245
   95    HD1  TYR  14           HD2      TYR  14   4.312   0.781   6.542
   96    HD2  TYR  14           HD1      TYR  14   7.536  -2.000   7.151
   97    HE1  TYR  14           HE2      TYR  14   3.393   0.201   8.773
   98    HE2  TYR  14           HE1      TYR  14   6.614  -2.578   9.381
   99    HH   TYR  14           HH       TYR  14   3.923  -2.358  10.369
  100    H    GLN  15           H        GLN  15   5.154   1.222   2.870
  101    HA   GLN  15           HA       GLN  15   2.666   2.052   4.106
  102   1HB   GLN  15          2HB       GLN  15   4.627   2.934   2.178
  103   2HB   GLN  15          1HB       GLN  15   3.019   3.169   1.503
  104   1HG   GLN  15          2HG       GLN  15   2.327   4.400   3.503
  105   2HG   GLN  15          1HG       GLN  15   3.896   4.104   4.250
  106   1HE2  GLN  15          2HE2      GLN  15   5.526   6.700   2.492
  107   2HE2  GLN  15          1HE2      GLN  15   5.684   5.412   3.587
  108    H    LEU  16           H        LEU  16   3.570   0.298   1.117
  109    HA   LEU  16           HA       LEU  16   0.815  -0.101   0.228
  110   1HB   LEU  16          2HB       LEU  16   3.533  -0.614  -0.611
  111   2HB   LEU  16          1HB       LEU  16   2.586  -2.088  -0.784
  112    HG   LEU  16           HG       LEU  16   2.413  -0.854  -2.848
  113   1HD1  LEU  16          3HD1      LEU  16   0.285  -1.816  -1.627
  114   2HD1  LEU  16          2HD1      LEU  16  -0.162  -0.115  -1.491
  115   3HD1  LEU  16          1HD1      LEU  16   0.095  -0.835  -3.081
  116   1HD2  LEU  16          3HD2      LEU  16   3.085   1.335  -1.931
  117   2HD2  LEU  16          2HD2      LEU  16   1.612   1.473  -2.889
  118   3HD2  LEU  16          1HD2      LEU  16   1.521   1.478  -1.127
  119    H    GLU  17           H        GLU  17   3.014  -1.540   2.455
  120    HA   GLU  17           HA       GLU  17   2.135  -4.221   2.678
  121   1HB   GLU  17          2HB       GLU  17   3.966  -2.587   3.795
  122   2HB   GLU  17          1HB       GLU  17   2.803  -2.655   5.111
  123   1HG   GLU  17          2HG       GLU  17   4.303  -4.941   3.834
  124   2HG   GLU  17          1HG       GLU  17   4.279  -4.449   5.529
  125    H    ASN  18           H        ASN  18   0.738  -1.230   3.884
  126    HA   ASN  18           HA       ASN  18  -1.051  -2.408   5.816
  127   1HB   ASN  18          2HB       ASN  18  -0.483   0.176   4.540
  128   2HB   ASN  18          1HB       ASN  18  -2.177  -0.025   4.991
  129   1HD2  ASN  18          2HD2      ASN  18   0.281   1.014   7.874
  130   2HD2  ASN  18          1HD2      ASN  18   0.453   1.371   6.223
  131    H    TYR  19           H        TYR  19  -1.167  -3.594   2.958
  132    HA   TYR  19           HA       TYR  19  -4.122  -3.536   2.786
  133   1HB   TYR  19          2HB       TYR  19  -2.235  -2.893   0.496
  134   2HB   TYR  19          1HB       TYR  19  -3.996  -2.964   0.390
  135    HD1  TYR  19           HD2      TYR  19  -5.404  -1.269   1.497
  136    HD2  TYR  19           HD1      TYR  19  -1.113  -1.060   1.661
  137    HE1  TYR  19           HE2      TYR  19  -5.549   1.046   2.362
  138    HE2  TYR  19           HE1      TYR  19  -1.259   1.253   2.524
  139    HH   TYR  19           HH       TYR  19  -2.796   3.104   2.596
  140    H    CYS  20           H        CYS  20  -1.254  -5.342   2.711
  141    HA   CYS  20           HA       CYS  20  -2.271  -7.464   0.918
  142   1HB   CYS  20          2HB       CYS  20   0.169  -7.429   2.714
  143   2HB   CYS  20          1HB       CYS  20  -0.077  -8.413   1.281
  144    H    ASN  21           HN       ASN  21  -3.963  -8.601   1.919
  145    HA   ASN  21           HA       ASN  21  -4.582  -8.957   4.587
  146   1HB   ASN  21          2HB       ASN  21  -5.514  -9.917   2.277
  147   2HB   ASN  21          1HB       ASN  21  -4.646 -11.359   2.803
  148   1HD2  ASN  21          2HD2      ASN  21  -7.937 -11.832   4.312
  149   2HD2  ASN  21          1HD2      ASN  21  -7.170 -12.000   2.808
  150   1H    PHE   1          1H        PHE  22   9.071  -2.782  -8.320
  151   2H    PHE   1          3H        PHE  22   9.662  -3.972  -7.265
  152   3H    PHE   1          2H        PHE  22   7.988  -3.794  -7.489
  153    HA   PHE   1           HA       PHE  22   7.863  -1.880  -6.220
  154   1HB   PHE   1          2HB       PHE  22   8.308  -3.758  -4.811
  155   2HB   PHE   1          1HB       PHE  22  10.020  -3.763  -5.239
  156    HD1  PHE   1           HD1      PHE  22   7.745  -0.948  -4.277
  157    HD2  PHE   1           HD2      PHE  22  11.220  -3.271  -3.278
  158    HE1  PHE   1           HE1      PHE  22   8.225   0.584  -2.385
  159    HE2  PHE   1           HE2      PHE  22  11.699  -1.740  -1.386
  160    HZ   PHE   1           HZ       PHE  22  10.204   0.187  -0.940
  161    H    VAL   2           H        VAL  23   8.598   0.222  -6.066
  162    HA   VAL   2           HA       VAL  23  11.486   0.826  -6.176
  163    HB   VAL   2           HB       VAL  23  11.012   2.346  -8.196
  164   1HG1  VAL   2          1HG1      VAL  23  12.033  -0.110  -8.082
  165   2HG1  VAL   2          3HG1      VAL  23  10.564  -0.510  -8.971
  166   3HG1  VAL   2          2HG1      VAL  23  11.702   0.663  -9.632
  167   1HG2  VAL   2          1HG2      VAL  23   8.496   2.133  -7.889
  168   2HG2  VAL   2          3HG2      VAL  23   9.072   1.848  -9.533
  169   3HG2  VAL   2          2HG2      VAL  23   8.640   0.484  -8.501
  170    H    ASN   3           H        ASN  24  11.898   2.762  -5.102
  171    HA   ASN   3           HA       ASN  24   9.846   4.059  -3.575
  172   1HB   ASN   3          2HB       ASN  24  12.324   3.930  -3.112
  173   2HB   ASN   3          1HB       ASN  24  12.574   5.097  -4.412
  174   1HD2  ASN   3          2HD2      ASN  24  11.960   7.800  -2.260
  175   2HD2  ASN   3          1HD2      ASN  24  12.769   7.188  -3.621
  176    H    GLN   4           H        GLN  25   8.211   4.667  -5.176
  177    HA   GLN   4           HA       GLN  25   8.706   7.304  -6.386
  178   1HB   GLN   4          2HB       GLN  25   9.606   5.419  -7.894
  179   2HB   GLN   4          1HB       GLN  25   7.926   4.948  -8.136
  180   1HG   GLN   4          2HG       GLN  25   7.466   6.792  -9.430
  181   2HG   GLN   4          1HG       GLN  25   8.566   7.831  -8.525
  182   1HE2  GLN   4          2HE2      GLN  25  11.454   6.387 -10.377
  183   2HE2  GLN   4          1HE2      GLN  25  11.003   6.532  -8.748
  184    H    HIS   5           H        HIS  26   6.455   7.441  -8.025
  185    HA   HIS   5           HA       HIS  26   4.267   7.141  -6.057
  186   1HB   HIS   5          2HB       HIS  26   3.843   8.381  -8.746
  187   2HB   HIS   5          1HB       HIS  26   3.259   8.904  -7.180
  188    HD1  HIS   5           HD1      HIS  26   4.491  10.763  -6.065
  189    HD2  HIS   5           HD2      HIS  26   6.734   9.056  -9.134
  190    HE1  HIS   5           HE1      HIS  26   6.529  12.234  -6.364
  191    H    LEU   6           H        LEU  27   2.733   5.516  -6.313
  192    HA   LEU   6           HA       LEU  27   2.952   3.818  -8.728
  193   1HB   LEU   6          2HB       LEU  27   1.734   3.343  -6.010
  194   2HB   LEU   6          1HB       LEU  27   1.922   2.122  -7.249
  195    HG   LEU   6           HG       LEU  27   4.286   3.678  -6.221
  196   1HD1  LEU   6          1HD1      LEU  27   2.908   2.422  -4.402
  197   2HD1  LEU   6          3HD1      LEU  27   3.477   0.956  -5.200
  198   3HD1  LEU   6          2HD1      LEU  27   4.637   2.088  -4.505
  199   1HD2  LEU   6          2HD2      LEU  27   3.735   1.453  -8.042
  200   2HD2  LEU   6          1HD2      LEU  27   5.164   2.484  -7.926
  201   3HD2  LEU   6          3HD2      LEU  27   4.993   1.089  -6.862
  202    H    CYS   7           H        CYS  28   1.103   6.271  -8.581
  203    HA   CYS   7           HA       CYS  28  -1.486   6.152  -8.310
  204   1HB   CYS   7          2HB       CYS  28   0.013   7.396 -10.104
  205   2HB   CYS   7          1HB       CYS  28  -0.800   6.272 -11.196
  206    H    GLY   8           H        GLY  29  -3.114   4.866  -8.372
  207   1HA   GLY   8          2HA       GLY  29  -3.827   2.519  -8.379
  208   2HA   GLY   8          1HA       GLY  29  -4.564   3.332  -9.734
  209    H    SER   9           H        SER  30  -2.956   3.165 -11.872
  210    HA   SER   9           HA       SER  30  -2.826   0.408 -12.469
  211   1HB   SER   9          2HB       SER  30  -2.530   2.851 -13.770
  212   2HB   SER   9          1HB       SER  30  -0.963   2.072 -13.983
  213    HG   SER   9           HG       SER  30  -1.872   0.758 -15.335
  214    H    HIS  10           H        HIS  31  -0.402   2.548 -11.102
  215    HA   HIS  10           HA       HIS  31   1.733   0.540 -11.418
  216   1HB   HIS  10          2HB       HIS  31   1.359   3.304 -10.372
  217   2HB   HIS  10          1HB       HIS  31   2.686   2.374  -9.689
  218    HD1  HIS  10           HD1      HIS  31   1.358   2.587 -13.257
  219    HD2  HIS  10           HD2      HIS  31   4.914   3.112 -11.145
  220    HE1  HIS  10           HE1      HIS  31   3.140   3.116 -14.976
  221    H    LEU  11           H        LEU  32  -0.430   1.831  -8.970
  222    HA   LEU  11           HA       LEU  32   0.567   0.315  -6.748
  223   1HB   LEU  11          2HB       LEU  32  -1.944   1.746  -7.503
  224   2HB   LEU  11          1HB       LEU  32  -1.986   0.681  -6.102
  225    HG   LEU  11           HG       LEU  32   0.000   2.927  -6.503
  226   1HD1  LEU  11          1HD1      LEU  32  -2.558   2.632  -4.978
  227   2HD1  LEU  11          3HD1      LEU  32  -1.261   3.604  -4.284
  228   3HD1  LEU  11          2HD1      LEU  32  -1.939   4.029  -5.855
  229   1HD2  LEU  11          2HD2      LEU  32  -0.359   0.733  -4.486
  230   2HD2  LEU  11          1HD2      LEU  32   1.121   1.280  -5.273
  231   3HD2  LEU  11          3HD2      LEU  32   0.377   2.258  -4.015
  232    H    VAL  12           H        VAL  33  -2.315  -0.257  -8.886
  233    HA   VAL  12           HA       VAL  33  -2.992  -2.691  -7.740
  234    HB   VAL  12           HB       VAL  33  -3.279  -1.361 -10.369
  235   1HG1  VAL  12          2HG1      VAL  33  -3.541  -4.308  -9.954
  236   2HG1  VAL  12          1HG1      VAL  33  -4.679  -3.488 -11.024
  237   3HG1  VAL  12          3HG1      VAL  33  -2.951  -3.429 -11.364
  238   1HG2  VAL  12          2HG2      VAL  33  -5.144  -2.602  -8.343
  239   2HG2  VAL  12          1HG2      VAL  33  -4.891  -0.884  -8.650
  240   3HG2  VAL  12          3HG2      VAL  33  -5.696  -1.886  -9.858
  241    H    GLU  13           H        GLU  34  -0.272  -1.838  -9.738
  242    HA   GLU  13           HA       GLU  34   0.435  -4.693 -10.175
  243   1HB   GLU  13          2HB       GLU  34   0.696  -2.346 -11.644
  244   2HB   GLU  13          1HB       GLU  34   2.327  -2.625 -11.031
  245   1HG   GLU  13          2HG       GLU  34   2.469  -4.759 -12.047
  246   2HG   GLU  13          1HG       GLU  34   0.726  -4.841 -12.310
  247    H    ALA  14           H        ALA  35   1.113  -2.090  -7.992
  248    HA   ALA  14           HA       ALA  35   3.674  -3.356  -7.113
  249   1HB   ALA  14          3HB       ALA  35   2.255  -0.763  -6.372
  250   2HB   ALA  14          2HB       ALA  35   3.830  -1.255  -5.749
  251   3HB   ALA  14          1HB       ALA  35   3.630  -0.908  -7.468
  252    H    LEU  15           H        LEU  36   0.334  -3.001  -6.398
  253    HA   LEU  15           HA       LEU  36   0.628  -3.816  -3.578
  254   1HB   LEU  15          2HB       LEU  36  -1.008  -2.211  -3.885
  255   2HB   LEU  15          1HB       LEU  36  -1.384  -2.767  -5.471
  256    HG   LEU  15           HG       LEU  36  -2.769  -4.504  -4.723
  257   1HD1  LEU  15          1HD1      LEU  36  -0.958  -4.457  -2.469
  258   2HD1  LEU  15          3HD1      LEU  36  -2.625  -4.430  -1.897
  259   3HD1  LEU  15          2HD1      LEU  36  -2.078  -5.728  -2.956
  260   1HD2  LEU  15          3HD2      LEU  36  -3.088  -2.178  -2.799
  261   2HD2  LEU  15          2HD2      LEU  36  -3.810  -2.307  -4.403
  262   3HD2  LEU  15          1HD2      LEU  36  -4.319  -3.400  -3.115
  263    H    TYR  16           H        TYR  37  -0.124  -5.151  -6.754
  264    HA   TYR  16           HA       TYR  37  -1.144  -7.702  -5.695
  265   1HB   TYR  16          2HB       TYR  37  -1.844  -7.768  -7.870
  266   2HB   TYR  16          1HB       TYR  37  -0.933  -6.316  -8.204
  267    HD1  TYR  16           HD1      TYR  37  -0.631 -10.029  -7.964
  268    HD2  TYR  16           HD2      TYR  37   1.065  -6.397  -9.525
  269    HE1  TYR  16           HE1      TYR  37   0.946 -11.353  -9.336
  270    HE2  TYR  16           HE2      TYR  37   2.637  -7.728 -10.901
  271    HH   TYR  16           HH       TYR  37   2.599 -10.166 -11.895
  272    H    LEU  17           H        LEU  38   1.844  -6.374  -7.083
  273    HA   LEU  17           HA       LEU  38   3.337  -8.810  -7.092
  274   1HB   LEU  17          2HB       LEU  38   3.719  -6.059  -7.653
  275   2HB   LEU  17          1HB       LEU  38   4.907  -6.447  -6.457
  276    HG   LEU  17           HG       LEU  38   6.164  -7.040  -8.252
  277   1HD1  LEU  17          3HD1      LEU  38   5.313  -9.199  -6.954
  278   2HD1  LEU  17          2HD1      LEU  38   4.574  -9.561  -8.513
  279   3HD1  LEU  17          1HD1      LEU  38   6.320  -9.345  -8.395
  280   1HD2  LEU  17          2HD2      LEU  38   3.646  -6.798  -9.589
  281   2HD2  LEU  17          1HD2      LEU  38   5.266  -6.729 -10.283
  282   3HD2  LEU  17          3HD2      LEU  38   4.431  -8.277 -10.144
  283    H    VAL  18           H        VAL  39   2.634  -6.328  -4.712
  284    HA   VAL  18           HA       VAL  39   4.662  -7.341  -2.944
  285    HB   VAL  18           HB       VAL  39   3.928  -4.919  -3.335
  286   1HG1  VAL  18          2HG1      VAL  39   1.461  -5.731  -2.782
  287   2HG1  VAL  18          1HG1      VAL  39   1.965  -5.335  -1.138
  288   3HG1  VAL  18          3HG1      VAL  39   2.009  -4.100  -2.394
  289   1HG2  VAL  18          1HG2      VAL  39   5.339  -5.967  -1.376
  290   2HG2  VAL  18          3HG2      VAL  39   4.770  -4.302  -1.251
  291   3HG2  VAL  18          2HG2      VAL  39   3.911  -5.592  -0.410
  292    H    CYS  19           H        CYS  40   1.172  -7.686  -3.283
  293    HA   CYS  19           HA       CYS  40   1.165  -9.423  -0.827
  294   1HB   CYS  19          2HB       CYS  40  -1.426  -8.390  -1.878
  295   2HB   CYS  19          1HB       CYS  40  -0.899  -8.578  -0.222
  296    H    GLY  20           H        GLY  41  -1.287  -9.185  -3.433
  297   1HA   GLY  20          2HA       GLY  41  -2.146 -10.862  -4.819
  298   2HA   GLY  20          1HA       GLY  41  -0.460 -11.304  -5.051
  299    H    GLU  21           H        GLU  42   0.444 -12.928  -3.694
  300    HA   GLU  21           HA       GLU  42  -0.897 -15.259  -3.262
  301   1HB   GLU  21          2HB       GLU  42   0.869 -15.828  -1.739
  302   2HB   GLU  21          1HB       GLU  42   1.547 -14.675  -2.890
  303   1HG   GLU  21          2HG       GLU  42   0.796 -12.880  -1.135
  304   2HG   GLU  21          1HG       GLU  42   0.782 -14.243  -0.016
  305    H    ARG  22           H        ARG  43  -1.186 -12.407  -1.251
  306    HA   ARG  22           HA       ARG  43  -3.079 -13.908   0.529
  307   1HB   ARG  22          2HB       ARG  43  -0.764 -12.278   1.024
  308   2HB   ARG  22          1HB       ARG  43  -2.177 -11.486   1.720
  309   1HG   ARG  22          2HG       ARG  43  -1.124 -13.063   3.323
  310   2HG   ARG  22          1HG       ARG  43  -2.772 -13.544   2.915
  311   1HD   ARG  22          2HD       ARG  43  -2.072 -15.369   1.644
  312   2HD   ARG  22          1HD       ARG  43  -0.493 -14.642   1.288
  313    HE   ARG  22           HE       ARG  43  -1.059 -15.268   4.127
  314   1HH1  ARG  22          1HH2      ARG  43  -0.363 -17.150   1.488
  315   2HH1  ARG  22          2HH2      ARG  43   1.180 -17.708   2.046
  316   1HH2  ARG  22          2HH1      ARG  43   1.311 -15.499   4.714
  317   2HH2  ARG  22          1HH1      ARG  43   2.128 -16.770   3.868
  318    H    GLY  23           H        GLY  44  -3.294 -12.063  -2.069
  319   1HA   GLY  23          2HA       GLY  44  -4.820 -10.458  -2.861
  320   2HA   GLY  23          1HA       GLY  44  -5.895 -11.072  -1.603
  321    H    PHE  24           H        PHE  45  -6.262  -8.477  -1.912
  322    HA   PHE  24           HA       PHE  45  -5.084  -7.312   0.525
  323   1HB   PHE  24          2HB       PHE  45  -4.208  -5.351  -0.778
  324   2HB   PHE  24          1HB       PHE  45  -3.373  -6.860  -1.133
  325    HD1  PHE  24           HD1      PHE  45  -6.226  -4.733  -2.332
  326    HD2  PHE  24           HD2      PHE  45  -3.187  -7.600  -3.349
  327    HE1  PHE  24           HE1      PHE  45  -6.789  -4.479  -4.743
  328    HE2  PHE  24           HE2      PHE  45  -3.753  -7.338  -5.751
  329    HZ   PHE  24           HZ       PHE  45  -5.551  -5.785  -6.445
  330    H    PHE  25           H        PHE  46  -5.736  -4.670   0.063
  331    HA   PHE  25           HA       PHE  46  -8.668  -4.695  -0.549
  332   1HB   PHE  25          2HB       PHE  46  -8.701  -4.694   1.774
  333   2HB   PHE  25          1HB       PHE  46  -7.120  -3.926   1.897
  334    HD1  PHE  25           HD1      PHE  46 -10.316  -2.967   0.165
  335    HD2  PHE  25           HD2      PHE  46  -7.292  -1.897   3.025
  336    HE1  PHE  25           HE1      PHE  46 -11.403  -0.759   0.490
  337    HE2  PHE  25           HE2      PHE  46  -8.378   0.308   3.351
  338    HZ   PHE  25           HZ       PHE  46 -10.434   0.878   2.085
  339    H    TYR  26           H        TYR  47  -8.808  -3.369  -2.330
  340    HA   TYR  26           HA       TYR  47  -7.540  -0.670  -2.168
  341   1HB   TYR  26          2HB       TYR  47  -6.212  -2.492  -3.465
  342   2HB   TYR  26          1HB       TYR  47  -7.484  -2.351  -4.678
  343    HD1  TYR  26           HD2      TYR  47  -7.894  -0.180  -5.821
  344    HD2  TYR  26           HD1      TYR  47  -4.566  -0.760  -3.170
  345    HE1  TYR  26           HE2      TYR  47  -6.818   1.861  -6.732
  346    HE2  TYR  26           HE1      TYR  47  -3.485   1.278  -4.081
  347    HH   TYR  26           HH       TYR  47  -3.743   2.563  -6.519
  348    H    THR  27           H        THR  48  -9.075   0.863  -2.687
  349    HA   THR  27           HA       THR  48 -11.700   0.000  -3.640
  350    HB   THR  27           HB       THR  48 -12.355   2.161  -2.985
  351    HG1  THR  27           HG1      THR  48 -10.707   3.866  -2.923
  352   1HG2  THR  27          1HG2      THR  48 -10.982   0.827  -1.196
  353   2HG2  THR  27          3HG2      THR  48  -9.789   2.104  -1.427
  354   3HG2  THR  27          2HG2      THR  48 -11.416   2.507  -0.878
  355    HA   PRO  28           HA       PRO  49 -11.286   1.317  -7.857
  356   1HB   PRO  28          2HB       PRO  49 -12.763   3.557  -8.385
  357   2HB   PRO  28          1HB       PRO  49 -13.494   1.975  -8.054
  358   1HG   PRO  28          2HG       PRO  49 -13.220   4.340  -6.302
  359   2HG   PRO  28          1HG       PRO  49 -14.502   3.134  -6.395
  360   1HD   PRO  28          2HD       PRO  49 -12.528   3.214  -4.470
  361   2HD   PRO  28          1HD       PRO  49 -13.514   1.792  -4.873
  362    H    LYS  29           H        LYS  50 -10.176   2.733  -9.378
  363    HA   LYS  29           HA       LYS  50  -8.196   4.476  -8.059
  364   1HB   LYS  29          2HB       LYS  50  -7.651   2.771  -9.796
  365   2HB   LYS  29          1HB       LYS  50  -8.580   3.705 -10.968
  366   1HG   LYS  29          2HG       LYS  50  -7.077   5.690 -10.312
  367   2HG   LYS  29          1HG       LYS  50  -6.034   4.492  -9.544
  368   1HD   LYS  29          2HD       LYS  50  -5.153   4.732 -11.732
  369   2HD   LYS  29          1HD       LYS  50  -6.098   3.243 -11.792
  370   1HE   LYS  29          2HE       LYS  50  -7.706   4.165 -13.164
  371   2HE   LYS  29          1HE       LYS  50  -7.539   5.779 -12.444
  372   1HZ   LYS  29          3HZ       LYS  50  -5.382   4.506 -14.029
  373   2HZ   LYS  29          2HZ       LYS  50  -6.562   5.500 -14.740
  374   3HZ   LYS  29          1HZ       LYS  50  -5.514   6.132 -13.564
  375    H    THR  30           HN       THR  51  -8.963   6.493  -7.624
  376    HA   THR  30           HA       THR  51 -10.345   7.977  -9.839
  377    HB   THR  30           HB       THR  51 -11.050   9.037  -7.288
  378    HG1  THR  30           HG1      THR  51 -10.545   7.144  -6.297
  379   1HG2  THR  30          1HG2      THR  51 -12.252   8.169  -9.709
  380   2HG2  THR  30          3HG2      THR  51 -13.104   7.365  -8.391
  381   3HG2  THR  30          2HG2      THR  51 -12.986   9.124  -8.421
   
  No H/Q in entry =         381
  Start of MODEL    8
    1   1H    GLY   1          3H        GLY   1  -6.905   1.833   0.311
    2   2H    GLY   1          2H        GLY   1  -8.320   2.053   1.226
    3   3H    GLY   1          1H        GLY   1  -8.416   1.461  -0.363
    4   1HA   GLY   1          2HA       GLY   1  -8.493   3.489  -1.215
    5   2HA   GLY   1          1HA       GLY   1  -8.623   4.087   0.440
    6    H    ILE   2           H        ILE   2  -5.875   2.483  -1.168
    7    HA   ILE   2           HA       ILE   2  -4.149   4.734  -0.282
    8    HB   ILE   2           HB       ILE   2  -3.826   2.217   0.147
    9   1HG1  ILE   2          2HG1      ILE   2  -2.076   3.840   0.642
   10   2HG1  ILE   2          1HG1      ILE   2  -1.353   2.410  -0.089
   11   1HG2  ILE   2          2HG2      ILE   2  -4.218   1.802  -2.394
   12   2HG2  ILE   2          1HG2      ILE   2  -2.492   2.138  -2.510
   13   3HG2  ILE   2          3HG2      ILE   2  -3.067   0.816  -1.497
   14   1HD1  ILE   2          2HD1      ILE   2  -1.356   3.564  -2.294
   15   2HD1  ILE   2          1HD1      ILE   2  -2.010   5.005  -1.517
   16   3HD1  ILE   2          3HD1      ILE   2  -0.400   4.427  -1.094
   17    H    VAL   3           H        VAL   3  -5.516   5.823  -2.214
   18    HA   VAL   3           HA       VAL   3  -4.113   5.367  -4.814
   19    HB   VAL   3           HB       VAL   3  -6.570   5.193  -4.742
   20   1HG1  VAL   3          1HG1      VAL   3  -6.233   7.596  -3.125
   21   2HG1  VAL   3          3HG1      VAL   3  -7.417   7.834  -4.411
   22   3HG1  VAL   3          2HG1      VAL   3  -7.626   6.521  -3.252
   23   1HG2  VAL   3          1HG2      VAL   3  -5.034   6.864  -6.448
   24   2HG2  VAL   3          3HG2      VAL   3  -6.570   6.077  -6.815
   25   3HG2  VAL   3          2HG2      VAL   3  -6.553   7.709  -6.146
   26    H    GLU   4           H        GLU   4  -4.095   7.461  -2.139
   27    HA   GLU   4           HA       GLU   4  -3.220   9.791  -3.792
   28   1HB   GLU   4          2HB       GLU   4  -4.962  10.360  -2.303
   29   2HB   GLU   4          1HB       GLU   4  -4.282   9.388  -0.999
   30   1HG   GLU   4          2HG       GLU   4  -2.806  11.017  -0.372
   31   2HG   GLU   4          1HG       GLU   4  -2.539  11.549  -2.032
   32    H    GLN   5           H        GLN   5  -1.872   7.267  -1.875
   33    HA   GLN   5           HA       GLN   5   0.379   8.918  -0.933
   34   1HB   GLN   5          2HB       GLN   5  -0.900   6.682   0.000
   35   2HB   GLN   5          1HB       GLN   5   0.548   5.970  -0.712
   36   1HG   GLN   5          2HG       GLN   5   1.599   6.546   1.192
   37   2HG   GLN   5          1HG       GLN   5   1.536   8.201   0.584
   38   1HE2  GLN   5          2HE2      GLN   5  -1.735   8.563   2.474
   39   2HE2  GLN   5          1HE2      GLN   5  -1.381   8.482   0.816
   40    H    CYS   6           H        CYS   6  -0.090   6.316  -3.394
   41    HA   CYS   6           HA       CYS   6   2.722   6.762  -4.241
   42   1HB   CYS   6          2HB       CYS   6   0.946   4.723  -5.558
   43   2HB   CYS   6          1HB       CYS   6   2.648   4.651  -5.160
   44    H    CYS   7           H        CYS   7  -0.495   7.679  -5.270
   45    HA   CYS   7           HA       CYS   7   0.489   8.211  -8.026
   46   1HB   CYS   7          2HB       CYS   7  -1.900   7.573  -7.410
   47   2HB   CYS   7          1HB       CYS   7  -2.032   9.124  -6.647
   48    H    THR   8           H        THR   8  -0.640  10.030  -5.214
   49    HA   THR   8           HA       THR   8   0.392  12.573  -6.320
   50    HB   THR   8           HB       THR   8  -1.136  11.754  -3.834
   51    HG1  THR   8           HG1      THR   8  -1.773  12.531  -6.405
   52   1HG2  THR   8          1HG2      THR   8   0.067  14.338  -4.677
   53   2HG2  THR   8          3HG2      THR   8  -1.582  14.408  -4.055
   54   3HG2  THR   8          2HG2      THR   8  -0.293  13.737  -3.058
   55    H    SER   9           H        SER   9   2.228  10.285  -5.243
   56    HA   SER   9           HA       SER   9   4.270  11.885  -4.115
   57   1HB   SER   9          2HB       SER   9   2.988  12.421  -2.240
   58   2HB   SER   9          1HB       SER   9   2.178  10.859  -2.223
   59    HG   SER   9           HG       SER   9   3.718  10.114  -1.005
   60    H    ILE  10           H        ILE  10   5.596  10.345  -2.394
   61    HA   ILE  10           HA       ILE  10   6.116   7.849  -3.924
   62    HB   ILE  10           HB       ILE  10   7.782   9.027  -1.702
   63   1HG1  ILE  10          2HG1      ILE  10   7.145  10.861  -3.311
   64   2HG1  ILE  10          1HG1      ILE  10   8.873  10.515  -3.276
   65   1HG2  ILE  10          1HG2      ILE  10   8.305   7.390  -4.188
   66   2HG2  ILE  10          3HG2      ILE  10   9.600   8.159  -3.270
   67   3HG2  ILE  10          2HG2      ILE  10   8.585   6.934  -2.508
   68   1HD1  ILE  10          2HD1      ILE  10   8.595   9.055  -5.263
   69   2HD1  ILE  10          1HD1      ILE  10   6.888   9.494  -5.326
   70   3HD1  ILE  10          3HD1      ILE  10   8.127  10.721  -5.590
   71    H    CYS  11           H        CYS  11   5.050   6.077  -3.061
   72    HA   CYS  11           HA       CYS  11   4.918   5.863  -0.064
   73   1HB   CYS  11          2HB       CYS  11   2.874   4.675  -0.364
   74   2HB   CYS  11          1HB       CYS  11   2.806   5.924  -1.577
   75    H    SER  12           H        SER  12   5.398   3.600   0.797
   76    HA   SER  12           HA       SER  12   7.383   2.281  -1.023
   77   1HB   SER  12          2HB       SER  12   7.864   1.388   1.537
   78   2HB   SER  12          1HB       SER  12   8.702   2.697   0.728
   79    HG   SER  12           HG       SER  12   7.189   2.820   2.879
   80    H    LEU  13           H        LEU  13   7.859  -0.014  -0.158
   81    HA   LEU  13           HA       LEU  13   5.473  -1.594  -0.699
   82   1HB   LEU  13          2HB       LEU  13   7.124  -3.520  -0.315
   83   2HB   LEU  13          1HB       LEU  13   7.461  -2.422  -1.638
   84    HG   LEU  13           HG       LEU  13   9.360  -3.180   0.038
   85   1HD1  LEU  13          2HD1      LEU  13   9.013  -1.089  -1.780
   86   2HD1  LEU  13          1HD1      LEU  13   9.721  -0.334  -0.353
   87   3HD1  LEU  13          3HD1      LEU  13  10.542  -1.684  -1.134
   88   1HD2  LEU  13          1HD2      LEU  13   8.070  -2.292   2.030
   89   2HD2  LEU  13          3HD2      LEU  13   9.728  -1.723   1.887
   90   3HD2  LEU  13          2HD2      LEU  13   8.403  -0.671   1.419
   91    H    TYR  14           H        TYR  14   6.851  -0.357   2.155
   92    HA   TYR  14           HA       TYR  14   5.634  -2.467   3.853
   93   1HB   TYR  14          2HB       TYR  14   7.936  -1.321   4.207
   94   2HB   TYR  14          1HB       TYR  14   7.003   0.076   4.748
   95    HD1  TYR  14           HD2      TYR  14   5.241  -0.302   6.593
   96    HD2  TYR  14           HD1      TYR  14   8.356  -3.123   5.690
   97    HE1  TYR  14           HE2      TYR  14   4.951  -1.336   8.828
   98    HE2  TYR  14           HE1      TYR  14   8.064  -4.158   7.928
   99    HH   TYR  14           HH       TYR  14   6.084  -4.309   9.640
  100    H    GLN  15           H        GLN  15   5.198   0.782   2.674
  101    HA   GLN  15           HA       GLN  15   3.037   1.506   4.503
  102   1HB   GLN  15          2HB       GLN  15   4.679   2.648   2.407
  103   2HB   GLN  15          1HB       GLN  15   2.987   3.021   2.084
  104   1HG   GLN  15          2HG       GLN  15   3.158   3.455   4.796
  105   2HG   GLN  15          1HG       GLN  15   4.743   3.990   4.236
  106   1HE2  GLN  15          2HE2      GLN  15   1.593   6.370   3.609
  107   2HE2  GLN  15          1HE2      GLN  15   1.569   5.048   4.673
  108    H    LEU  16           H        LEU  16   3.364   0.261   1.183
  109    HA   LEU  16           HA       LEU  16   0.497   0.052   0.697
  110   1HB   LEU  16          2HB       LEU  16   2.912  -0.078  -0.722
  111   2HB   LEU  16          1HB       LEU  16   2.270  -1.717  -0.812
  112    HG   LEU  16           HG       LEU  16   0.015  -0.470  -1.393
  113   1HD1  LEU  16          1HD1      LEU  16   1.726   1.709  -1.131
  114   2HD1  LEU  16          3HD1      LEU  16   1.626   1.465  -2.876
  115   3HD1  LEU  16          2HD1      LEU  16   0.156   1.720  -1.935
  116   1HD2  LEU  16          1HD2      LEU  16   1.411  -2.004  -2.840
  117   2HD2  LEU  16          3HD2      LEU  16   0.527  -0.766  -3.731
  118   3HD2  LEU  16          2HD2      LEU  16   2.255  -0.575  -3.429
  119    H    GLU  17           H        GLU  17   2.891  -1.730   2.391
  120    HA   GLU  17           HA       GLU  17   2.018  -4.413   2.226
  121   1HB   GLU  17          2HB       GLU  17   3.962  -3.064   3.459
  122   2HB   GLU  17          1HB       GLU  17   2.858  -3.188   4.824
  123   1HG   GLU  17          2HG       GLU  17   4.137  -5.427   3.251
  124   2HG   GLU  17          1HG       GLU  17   4.232  -5.104   4.983
  125    H    ASN  18           H        ASN  18   0.874  -1.715   4.219
  126    HA   ASN  18           HA       ASN  18  -0.967  -3.240   5.830
  127   1HB   ASN  18          2HB       ASN  18  -0.798  -0.313   5.061
  128   2HB   ASN  18          1HB       ASN  18  -1.824  -0.945   6.348
  129   1HD2  ASN  18          2HD2      ASN  18   0.930  -0.363   8.505
  130   2HD2  ASN  18          1HD2      ASN  18  -0.657   0.080   8.094
  131    H    TYR  19           H        TYR  19  -1.360  -3.813   2.923
  132    HA   TYR  19           HA       TYR  19  -4.219  -2.976   2.765
  133   1HB   TYR  19          2HB       TYR  19  -2.029  -2.851   0.683
  134   2HB   TYR  19          1HB       TYR  19  -3.739  -2.816   0.238
  135    HD1  TYR  19           HD2      TYR  19  -5.249  -1.079   1.416
  136    HD2  TYR  19           HD1      TYR  19  -0.957  -0.858   1.418
  137    HE1  TYR  19           HE2      TYR  19  -5.369   1.307   2.065
  138    HE2  TYR  19           HE1      TYR  19  -1.079   1.524   2.067
  139    HH   TYR  19           HH       TYR  19  -4.055   3.005   3.064
  140    H    CYS  20           H        CYS  20  -1.802  -5.469   2.317
  141    HA   CYS  20           HA       CYS  20  -3.818  -7.288   1.113
  142   1HB   CYS  20          2HB       CYS  20  -1.651  -8.810   1.175
  143   2HB   CYS  20          1HB       CYS  20  -1.832  -7.558  -0.047
  144    H    ASN  21           HN       ASN  21  -1.326  -7.682   3.680
  145    HA   ASN  21           HA       ASN  21  -2.837  -9.789   4.979
  146   1HB   ASN  21          2HB       ASN  21  -0.322  -8.249   5.341
  147   2HB   ASN  21          1HB       ASN  21  -0.998  -8.968   6.803
  148   1HD2  ASN  21          2HD2      ASN  21  -0.626 -12.354   5.544
  149   2HD2  ASN  21          1HD2      ASN  21  -1.691 -11.404   6.463
  150   1H    PHE   1          2H        PHE  22  13.054  -3.280  -5.072
  151   2H    PHE   1          1H        PHE  22  14.569  -2.533  -4.884
  152   3H    PHE   1          3H        PHE  22  14.024  -3.648  -3.726
  153    HA   PHE   1           HA       PHE  22  12.287  -2.166  -3.006
  154   1HB   PHE   1          2HB       PHE  22  14.866  -2.022  -2.438
  155   2HB   PHE   1          1HB       PHE  22  14.755  -0.477  -3.284
  156    HD1  PHE   1           HD2      PHE  22  12.910   1.166  -2.549
  157    HD2  PHE   1           HD1      PHE  22  14.147  -2.212  -0.199
  158    HE1  PHE   1           HE2      PHE  22  11.913   2.208  -0.529
  159    HE2  PHE   1           HE1      PHE  22  13.152  -1.171   1.821
  160    HZ   PHE   1           HZ       PHE  22  12.033   1.038   1.656
  161    H    VAL   2           H        VAL  23  11.338   0.029  -3.217
  162    HA   VAL   2           HA       VAL  23  11.830   1.412  -5.798
  163    HB   VAL   2           HB       VAL  23   9.301   1.356  -6.147
  164   1HG1  VAL   2          3HG1      VAL  23  11.001  -1.141  -6.223
  165   2HG1  VAL   2          2HG1      VAL  23   9.359  -1.121  -6.859
  166   3HG1  VAL   2          1HG1      VAL  23  10.587  -0.062  -7.553
  167   1HG2  VAL   2          2HG2      VAL  23   8.744   0.735  -3.803
  168   2HG2  VAL   2          1HG2      VAL  23   8.064  -0.405  -4.964
  169   3HG2  VAL   2          3HG2      VAL  23   9.513  -0.832  -4.053
  170    H    ASN   3           H        ASN  24  11.037   3.588  -5.764
  171    HA   ASN   3           HA       ASN  24   9.796   4.642  -3.292
  172   1HB   ASN   3          2HB       ASN  24  11.781   6.300  -3.177
  173   2HB   ASN   3          1HB       ASN  24  12.087   4.651  -2.632
  174   1HD2  ASN   3          2HD2      ASN  24  14.593   4.122  -5.040
  175   2HD2  ASN   3          1HD2      ASN  24  13.878   3.654  -3.573
  176    H    GLN   4           H        GLN  25   8.281   4.879  -5.319
  177    HA   GLN   4           HA       GLN  25   8.666   7.620  -6.399
  178   1HB   GLN   4          2HB       GLN  25   9.680   5.729  -7.837
  179   2HB   GLN   4          1HB       GLN  25   8.018   5.253  -8.174
  180   1HG   GLN   4          2HG       GLN  25   7.700   7.001  -9.588
  181   2HG   GLN   4          1HG       GLN  25   8.488   8.136  -8.491
  182   1HE2  GLN   4          2HE2      GLN  25  10.565   6.641 -11.613
  183   2HE2  GLN   4          1HE2      GLN  25   8.911   6.324 -11.398
  184    H    HIS   5           H        HIS  26   6.504   7.714  -8.117
  185    HA   HIS   5           HA       HIS  26   4.232   7.289  -6.260
  186   1HB   HIS   5          2HB       HIS  26   3.876   8.644  -8.898
  187   2HB   HIS   5          1HB       HIS  26   3.247   9.092  -7.324
  188    HD1  HIS   5           HD1      HIS  26   4.504  10.799  -5.985
  189    HD2  HIS   5           HD2      HIS  26   6.690   9.460  -9.273
  190    HE1  HIS   5           HE1      HIS  26   6.533  12.301  -6.150
  191    H    LEU   6           H        LEU  27   2.733   5.694  -6.657
  192    HA   LEU   6           HA       LEU  27   2.946   4.191  -9.216
  193   1HB   LEU   6          2HB       LEU  27   2.089   3.393  -6.430
  194   2HB   LEU   6          1HB       LEU  27   2.085   2.306  -7.807
  195    HG   LEU   6           HG       LEU  27   4.626   3.751  -7.284
  196   1HD1  LEU   6          3HD1      LEU  27   3.242   2.176  -5.256
  197   2HD1  LEU   6          2HD1      LEU  27   4.777   1.435  -5.709
  198   3HD1  LEU   6          1HD1      LEU  27   4.741   3.096  -5.116
  199   1HD2  LEU   6          2HD2      LEU  27   3.831   1.808  -8.971
  200   2HD2  LEU   6          1HD2      LEU  27   5.489   1.936  -8.382
  201   3HD2  LEU   6          3HD2      LEU  27   4.366   0.814  -7.616
  202    H    CYS   7           H        CYS  28   1.024   6.482  -8.864
  203    HA   CYS   7           HA       CYS  28  -1.505   6.359  -8.342
  204   1HB   CYS   7          2HB       CYS  28  -0.209   7.451 -10.393
  205   2HB   CYS   7          1HB       CYS  28  -1.158   6.258 -11.285
  206    H    GLY   8           H        GLY  29  -3.031   4.959  -8.015
  207   1HA   GLY   8          2HA       GLY  29  -3.615   2.569  -7.866
  208   2HA   GLY   8          1HA       GLY  29  -4.634   3.329  -9.060
  209    H    SER   9           H        SER  30  -3.530   3.197 -11.466
  210    HA   SER   9           HA       SER  30  -3.338   0.515 -12.175
  211   1HB   SER   9          2HB       SER  30  -2.228   1.418 -14.226
  212   2HB   SER   9          1HB       SER  30  -3.628   2.373 -13.745
  213    HG   SER   9           HG       SER  30  -2.068   3.857 -14.019
  214    H    HIS  10           H        HIS  31  -0.756   2.704 -11.160
  215    HA   HIS  10           HA       HIS  31   1.345   0.721 -11.576
  216   1HB   HIS  10          2HB       HIS  31   1.005   3.498 -10.668
  217   2HB   HIS  10          1HB       HIS  31   2.308   2.634  -9.858
  218    HD1  HIS  10           HD1      HIS  31   1.385   4.211 -13.065
  219    HD2  HIS  10           HD2      HIS  31   4.326   1.590 -11.702
  220    HE1  HIS  10           HE1      HIS  31   3.174   4.146 -14.857
  221    H    LEU  11           H        LEU  32  -0.592   1.996  -8.928
  222    HA   LEU  11           HA       LEU  32   0.618   0.540  -6.787
  223   1HB   LEU  11          2HB       LEU  32  -1.963   1.904  -7.356
  224   2HB   LEU  11          1HB       LEU  32  -1.904   0.832  -5.964
  225    HG   LEU  11           HG       LEU  32   0.030   3.103  -6.479
  226   1HD1  LEU  11          1HD1      LEU  32  -2.221   2.732  -4.483
  227   2HD1  LEU  11          3HD1      LEU  32  -1.024   4.023  -4.397
  228   3HD1  LEU  11          2HD1      LEU  32  -2.139   3.944  -5.761
  229   1HD2  LEU  11          1HD2      LEU  32   0.242   0.695  -4.977
  230   2HD2  LEU  11          3HD2      LEU  32   1.360   2.060  -4.987
  231   3HD2  LEU  11          2HD2      LEU  32   0.033   2.012  -3.826
  232    H    VAL  12           H        VAL  33  -2.345  -0.204  -8.738
  233    HA   VAL  12           HA       VAL  33  -2.949  -2.579  -7.447
  234    HB   VAL  12           HB       VAL  33  -3.360  -1.363 -10.096
  235   1HG1  VAL  12          1HG1      VAL  33  -3.557  -4.340  -9.682
  236   2HG1  VAL  12          3HG1      VAL  33  -4.503  -3.498 -10.910
  237   3HG1  VAL  12          2HG1      VAL  33  -2.740  -3.475 -10.985
  238   1HG2  VAL  12          2HG2      VAL  33  -4.922  -1.157  -8.171
  239   2HG2  VAL  12          1HG2      VAL  33  -5.694  -1.875  -9.585
  240   3HG2  VAL  12          3HG2      VAL  33  -5.190  -2.899  -8.239
  241    H    GLU  13           H        GLU  34  -0.338  -1.837  -9.675
  242    HA   GLU  13           HA       GLU  34   0.428  -4.689  -9.885
  243   1HB   GLU  13          2HB       GLU  34   0.605  -3.349 -11.878
  244   2HB   GLU  13          1HB       GLU  34   1.506  -2.107 -11.014
  245   1HG   GLU  13          2HG       GLU  34   3.362  -3.671 -10.647
  246   2HG   GLU  13          1HG       GLU  34   2.465  -4.939 -11.480
  247    H    ALA  14           H        ALA  35   1.081  -2.014  -7.811
  248    HA   ALA  14           HA       ALA  35   3.722  -3.157  -6.992
  249   1HB   ALA  14          2HB       ALA  35   2.623  -0.534  -7.255
  250   2HB   ALA  14          1HB       ALA  35   2.870  -0.809  -5.531
  251   3HB   ALA  14          3HB       ALA  35   4.223  -0.961  -6.652
  252    H    LEU  15           H        LEU  36   0.399  -2.959  -6.200
  253    HA   LEU  15           HA       LEU  36   0.818  -3.624  -3.352
  254   1HB   LEU  15          2HB       LEU  36  -0.909  -2.125  -3.623
  255   2HB   LEU  15          1HB       LEU  36  -1.244  -2.673  -5.224
  256    HG   LEU  15           HG       LEU  36  -2.558  -4.488  -4.505
  257   1HD1  LEU  15          2HD1      LEU  36  -0.802  -4.422  -2.244
  258   2HD1  LEU  15          1HD1      LEU  36  -2.459  -4.309  -1.650
  259   3HD1  LEU  15          3HD1      LEU  36  -1.982  -5.665  -2.670
  260   1HD2  LEU  15          2HD2      LEU  36  -2.988  -2.012  -2.835
  261   2HD2  LEU  15          1HD2      LEU  36  -3.875  -2.545  -4.262
  262   3HD2  LEU  15          3HD2      LEU  36  -4.087  -3.388  -2.728
  263    H    TYR  16           H        TYR  37   0.127  -5.090  -6.440
  264    HA   TYR  16           HA       TYR  37  -0.772  -7.651  -5.269
  265   1HB   TYR  16          2HB       TYR  37  -1.575  -7.804  -7.402
  266   2HB   TYR  16          1HB       TYR  37  -0.756  -6.313  -7.818
  267    HD1  TYR  16           HD1      TYR  37   0.101  -9.927  -7.183
  268    HD2  TYR  16           HD2      TYR  37   0.845  -6.417  -9.548
  269    HE1  TYR  16           HE1      TYR  37   1.693 -11.203  -8.587
  270    HE2  TYR  16           HE2      TYR  37   2.430  -7.694 -10.952
  271    HH   TYR  16           HH       TYR  37   3.523  -9.619 -11.199
  272    H    LEU  17           H        LEU  38   2.081  -6.201  -6.810
  273    HA   LEU  17           HA       LEU  38   3.676  -8.583  -6.829
  274   1HB   LEU  17          2HB       LEU  38   3.891  -5.854  -7.569
  275   2HB   LEU  17          1HB       LEU  38   5.197  -6.141  -6.474
  276    HG   LEU  17           HG       LEU  38   6.261  -6.762  -8.403
  277   1HD1  LEU  17          2HD1      LEU  38   5.601  -8.846  -6.777
  278   2HD1  LEU  17          1HD1      LEU  38   4.976  -9.423  -8.322
  279   3HD1  LEU  17          3HD1      LEU  38   6.679  -8.989  -8.166
  280   1HD2  LEU  17          3HD2      LEU  38   3.679  -6.695  -9.468
  281   2HD2  LEU  17          2HD2      LEU  38   5.173  -6.961 -10.367
  282   3HD2  LEU  17          1HD2      LEU  38   4.237  -8.338  -9.783
  283    H    VAL  18           H        VAL  39   3.122  -5.952  -4.526
  284    HA   VAL  18           HA       VAL  39   5.346  -6.726  -2.909
  285    HB   VAL  18           HB       VAL  39   4.177  -4.440  -3.180
  286   1HG1  VAL  18          2HG1      VAL  39   1.989  -5.805  -2.260
  287   2HG1  VAL  18          1HG1      VAL  39   2.574  -5.043  -0.782
  288   3HG1  VAL  18          3HG1      VAL  39   2.174  -4.052  -2.182
  289   1HG2  VAL  18          3HG2      VAL  39   6.001  -4.950  -1.542
  290   2HG2  VAL  18          2HG2      VAL  39   4.862  -3.738  -0.955
  291   3HG2  VAL  18          1HG2      VAL  39   4.766  -5.396  -0.364
  292    H    CYS  19           H        CYS  40   2.001  -7.594  -3.084
  293    HA   CYS  19           HA       CYS  40   2.256  -9.242  -0.590
  294   1HB   CYS  19          2HB       CYS  40  -0.188  -7.966  -1.879
  295   2HB   CYS  19          1HB       CYS  40  -0.190  -8.862  -0.352
  296    H    GLY  20           H        GLY  41  -0.217  -9.382  -3.195
  297   1HA   GLY  20          2HA       GLY  41  -0.808 -11.160  -4.585
  298   2HA   GLY  20          1HA       GLY  41   0.909 -11.561  -4.603
  299    H    GLU  21           H        GLU  42  -1.429 -13.358  -4.437
  300    HA   GLU  21           HA       GLU  42  -2.006 -15.351  -3.310
  301   1HB   GLU  21          2HB       GLU  42   0.779 -14.659  -2.493
  302   2HB   GLU  21          1HB       GLU  42  -0.040 -15.917  -1.568
  303   1HG   GLU  21          2HG       GLU  42  -0.041 -15.966  -4.582
  304   2HG   GLU  21          1HG       GLU  42   1.307 -16.638  -3.665
  305    H    ARG  22           H        ARG  43  -2.209 -12.415  -1.962
  306    HA   ARG  22           HA       ARG  43  -3.390 -13.501   0.554
  307   1HB   ARG  22          2HB       ARG  43  -1.257 -11.398   0.200
  308   2HB   ARG  22          1HB       ARG  43  -2.286 -11.404   1.632
  309   1HG   ARG  22          2HG       ARG  43  -0.689 -13.804   0.694
  310   2HG   ARG  22          1HG       ARG  43  -0.134 -12.675   1.929
  311   1HD   ARG  22          2HD       ARG  43  -2.250 -13.172   3.225
  312   2HD   ARG  22          1HD       ARG  43  -2.583 -14.463   2.055
  313    HE   ARG  22           HE       ARG  43   0.128 -14.560   3.145
  314   1HH1  ARG  22          2HH1      ARG  43  -0.386 -17.127   2.683
  315   2HH1  ARG  22          1HH1      ARG  43  -1.258 -17.781   4.028
  316   1HH2  ARG  22          1HH2      ARG  43  -2.207 -14.682   5.260
  317   2HH2  ARG  22          2HH2      ARG  43  -2.287 -16.397   5.489
  318    H    GLY  23           H        GLY  44  -3.872 -11.734  -2.203
  319   1HA   GLY  23          2HA       GLY  44  -5.397 -10.063  -2.835
  320   2HA   GLY  23          1HA       GLY  44  -6.409 -10.764  -1.573
  321    H    PHE  24           H        PHE  45  -6.853  -8.200  -1.731
  322    HA   PHE  24           HA       PHE  45  -5.797  -7.102   0.752
  323   1HB   PHE  24          2HB       PHE  45  -4.762  -5.111  -0.458
  324   2HB   PHE  24          1HB       PHE  45  -3.888  -6.629  -0.630
  325    HD1  PHE  24           HD1      PHE  45  -6.648  -4.705  -2.307
  326    HD2  PHE  24           HD2      PHE  45  -3.246  -7.293  -2.764
  327    HE1  PHE  24           HE1      PHE  45  -6.850  -4.538  -4.779
  328    HE2  PHE  24           HE2      PHE  45  -3.448  -7.122  -5.231
  329    HZ   PHE  24           HZ       PHE  45  -5.252  -5.748  -6.237
  330    H    PHE  25           H        PHE  46  -6.337  -4.401   0.260
  331    HA   PHE  25           HA       PHE  46  -9.134  -4.343  -0.788
  332   1HB   PHE  25          2HB       PHE  46  -8.940  -4.787   1.726
  333   2HB   PHE  25          1HB       PHE  46  -8.285  -3.155   1.866
  334    HD1  PHE  25           HD1      PHE  46 -11.165  -4.929   0.223
  335    HD2  PHE  25           HD2      PHE  46  -9.784  -1.422   2.290
  336    HE1  PHE  25           HE1      PHE  46 -13.463  -3.995   0.175
  337    HE2  PHE  25           HE2      PHE  46 -12.083  -0.489   2.242
  338    HZ   PHE  25           HZ       PHE  46 -13.920  -1.773   1.179
  339    H    TYR  26           H        TYR  47  -8.287  -3.057  -2.555
  340    HA   TYR  26           HA       TYR  47  -7.774  -0.225  -1.787
  341   1HB   TYR  26          2HB       TYR  47  -5.567  -1.106  -2.017
  342   2HB   TYR  26          1HB       TYR  47  -6.014  -2.056  -3.436
  343    HD1  TYR  26           HD1      TYR  47  -6.798   1.490  -2.585
  344    HD2  TYR  26           HD2      TYR  47  -4.707  -1.190  -5.212
  345    HE1  TYR  26           HE1      TYR  47  -6.209   3.398  -4.058
  346    HE2  TYR  26           HE2      TYR  47  -4.117   0.719  -6.688
  347    HH   TYR  26           HH       TYR  47  -3.936   3.561  -6.041
  348    H    THR  27           H        THR  48  -8.912   1.146  -3.127
  349    HA   THR  27           HA       THR  48  -9.555   0.292  -5.889
  350    HB   THR  27           HB       THR  48 -11.856   0.152  -5.554
  351    HG1  THR  27           HG1      THR  48 -11.454   1.879  -3.346
  352   1HG2  THR  27          2HG2      THR  48 -10.805  -1.560  -4.098
  353   2HG2  THR  27          1HG2      THR  48 -10.844  -0.419  -2.752
  354   3HG2  THR  27          3HG2      THR  48 -12.351  -1.009  -3.454
  355    HA   PRO  28           HA       PRO  49  -9.622   4.677  -6.618
  356   1HB   PRO  28          2HB       PRO  49 -12.098   5.532  -7.420
  357   2HB   PRO  28          1HB       PRO  49 -11.042   4.541  -8.445
  358   1HG   PRO  28          2HG       PRO  49 -13.399   3.756  -6.827
  359   2HG   PRO  28          1HG       PRO  49 -12.859   3.179  -8.406
  360   1HD   PRO  28          2HD       PRO  49 -12.499   1.817  -6.065
  361   2HD   PRO  28          1HD       PRO  49 -11.490   1.608  -7.512
  362    H    LYS  29           H        LYS  50 -10.168   6.812  -5.725
  363    HA   LYS  29           HA       LYS  50 -10.869   8.271  -4.000
  364   1HB   LYS  29          2HB       LYS  50 -13.063   7.246  -4.874
  365   2HB   LYS  29          1HB       LYS  50 -12.989   6.177  -3.474
  366   1HG   LYS  29          2HG       LYS  50 -12.566   8.525  -2.232
  367   2HG   LYS  29          1HG       LYS  50 -13.523   9.101  -3.596
  368   1HD   LYS  29          2HD       LYS  50 -15.046   8.546  -1.795
  369   2HD   LYS  29          1HD       LYS  50 -15.227   7.330  -3.059
  370   1HE   LYS  29          2HE       LYS  50 -13.306   6.115  -1.620
  371   2HE   LYS  29          1HE       LYS  50 -14.075   7.049  -0.321
  372   1HZ   LYS  29          3HZ       LYS  50 -16.251   6.251  -1.347
  373   2HZ   LYS  29          2HZ       LYS  50 -15.314   5.087  -2.155
  374   3HZ   LYS  29          1HZ       LYS  50 -15.356   5.118  -0.457
  375    H    THR  30           HN       THR  51 -10.051   8.488  -1.939
  376    HA   THR  30           HA       THR  51  -8.640   6.405  -0.624
  377    HB   THR  30           HB       THR  51  -8.391   8.888  -0.338
  378    HG1  THR  30           HG1      THR  51  -7.414   8.147   1.356
  379   1HG2  THR  30          3HG2      THR  51 -11.120   8.806   0.096
  380   2HG2  THR  30          2HG2      THR  51 -10.473   9.047   1.719
  381   3HG2  THR  30          1HG2      THR  51 -10.075  10.186   0.432
   
  No H/Q in entry =         381
  Start of MODEL    9
    1   1H    GLY   1          2H        GLY   1  -5.385   4.503   2.182
    2   2H    GLY   1          1H        GLY   1  -6.835   5.366   2.392
    3   3H    GLY   1          3H        GLY   1  -6.610   4.412   1.008
    4   1HA   GLY   1          2HA       GLY   1  -6.324   6.725   0.446
    5   2HA   GLY   1          1HA       GLY   1  -5.094   6.867   1.705
    6    H    ILE   2           H        ILE   2  -4.720   3.819   0.535
    7    HA   ILE   2           HA       ILE   2  -2.212   4.053  -0.566
    8    HB   ILE   2           HB       ILE   2  -3.118   1.908  -0.248
    9   1HG1  ILE   2          2HG1      ILE   2  -1.874   2.431  -2.539
   10   2HG1  ILE   2          1HG1      ILE   2  -2.504   0.827  -2.190
   11   1HG2  ILE   2          1HG2      ILE   2  -5.437   2.939  -1.866
   12   2HG2  ILE   2          3HG2      ILE   2  -5.194   1.209  -1.632
   13   3HG2  ILE   2          2HG2      ILE   2  -5.441   2.261  -0.239
   14   1HD1  ILE   2          1HD1      ILE   2  -4.097   2.931  -3.684
   15   2HD1  ILE   2          3HD1      ILE   2  -3.094   1.726  -4.490
   16   3HD1  ILE   2          2HD1      ILE   2  -4.473   1.220  -3.515
   17    H    VAL   3           H        VAL   3  -5.207   4.995  -2.105
   18    HA   VAL   3           HA       VAL   3  -4.135   5.226  -4.801
   19    HB   VAL   3           HB       VAL   3  -6.548   4.871  -3.985
   20   1HG1  VAL   3          1HG1      VAL   3  -6.239   7.854  -3.533
   21   2HG1  VAL   3          3HG1      VAL   3  -7.792   7.020  -3.606
   22   3HG1  VAL   3          2HG1      VAL   3  -6.645   6.637  -2.322
   23   1HG2  VAL   3          1HG2      VAL   3  -5.485   6.112  -6.274
   24   2HG2  VAL   3          3HG2      VAL   3  -7.091   5.404  -6.110
   25   3HG2  VAL   3          2HG2      VAL   3  -6.849   7.122  -5.795
   26    H    GLU   4           H        GLU   4  -4.149   7.264  -1.972
   27    HA   GLU   4           HA       GLU   4  -3.394   9.635  -3.626
   28   1HB   GLU   4          2HB       GLU   4  -3.841  10.815  -1.428
   29   2HB   GLU   4          1HB       GLU   4  -5.236   9.974  -2.106
   30   1HG   GLU   4          2HG       GLU   4  -5.088   8.212  -0.553
   31   2HG   GLU   4          1HG       GLU   4  -3.409   8.583  -0.154
   32    H    GLN   5           H        GLN   5  -1.754   7.139  -2.213
   33    HA   GLN   5           HA       GLN   5   0.352   8.925  -1.070
   34   1HB   GLN   5          2HB       GLN   5  -0.852   6.673  -0.069
   35   2HB   GLN   5          1HB       GLN   5   0.614   5.991  -0.771
   36   1HG   GLN   5          2HG       GLN   5   1.746   6.700   1.029
   37   2HG   GLN   5          1HG       GLN   5   1.425   8.359   0.518
   38   1HE2  GLN   5          2HE2      GLN   5  -0.312   8.741   3.583
   39   2HE2  GLN   5          1HE2      GLN   5   1.020   9.219   2.646
   40    H    CYS   6           H        CYS   6  -0.089   6.280  -3.471
   41    HA   CYS   6           HA       CYS   6   2.714   6.730  -4.348
   42   1HB   CYS   6          2HB       CYS   6   0.936   4.648  -5.604
   43   2HB   CYS   6          1HB       CYS   6   2.647   4.603  -5.238
   44    H    CYS   7           H        CYS   7  -0.528   7.590  -5.336
   45    HA   CYS   7           HA       CYS   7   0.368   8.079  -8.124
   46   1HB   CYS   7          2HB       CYS   7  -2.004   7.487  -7.413
   47   2HB   CYS   7          1HB       CYS   7  -2.079   9.038  -6.643
   48    H    THR   8           H        THR   8  -0.655   9.992  -5.327
   49    HA   THR   8           HA       THR   8   0.368  12.487  -6.536
   50    HB   THR   8           HB       THR   8  -1.151  11.716  -4.035
   51    HG1  THR   8           HG1      THR   8  -2.391  11.660  -5.856
   52   1HG2  THR   8          1HG2      THR   8  -0.036  14.371  -4.920
   53   2HG2  THR   8          3HG2      THR   8  -1.524  14.300  -3.976
   54   3HG2  THR   8          2HG2      THR   8  -0.027  13.646  -3.312
   55    H    SER   9           H        SER   9   2.144  10.157  -5.274
   56    HA   SER   9           HA       SER   9   4.237  11.848  -4.329
   57   1HB   SER   9          2HB       SER   9   2.909  12.441  -2.475
   58   2HB   SER   9          1HB       SER   9   2.257  10.814  -2.306
   59    HG   SER   9           HG       SER   9   3.925  11.429  -0.758
   60    H    ILE  10           H        ILE  10   5.607  10.401  -2.576
   61    HA   ILE  10           HA       ILE  10   6.168   7.867  -4.018
   62    HB   ILE  10           HB       ILE  10   7.752   9.190  -1.807
   63   1HG1  ILE  10          2HG1      ILE  10   7.174  10.911  -3.506
   64   2HG1  ILE  10          1HG1      ILE  10   8.896  10.523  -3.530
   65   1HG2  ILE  10          1HG2      ILE  10   8.144   7.025  -3.716
   66   2HG2  ILE  10          3HG2      ILE  10   9.417   8.239  -3.833
   67   3HG2  ILE  10          2HG2      ILE  10   9.094   7.446  -2.292
   68   1HD1  ILE  10          2HD1      ILE  10   8.339   8.820  -5.341
   69   2HD1  ILE  10          1HD1      ILE  10   6.757   9.586  -5.446
   70   3HD1  ILE  10          3HD1      ILE  10   8.214  10.511  -5.813
   71    H    CYS  11           H        CYS  11   5.029   6.126  -3.123
   72    HA   CYS  11           HA       CYS  11   4.870   6.003  -0.124
   73   1HB   CYS  11          2HB       CYS  11   2.871   4.728  -0.426
   74   2HB   CYS  11          1HB       CYS  11   2.787   5.966  -1.652
   75    H    SER  12           H        SER  12   5.405   3.847   0.863
   76    HA   SER  12           HA       SER  12   7.505   2.509  -0.787
   77   1HB   SER  12          2HB       SER  12   7.754   1.621   1.809
   78   2HB   SER  12          1HB       SER  12   8.641   2.949   1.086
   79    HG   SER  12           HG       SER  12   7.089   3.122   3.115
   80    H    LEU  13           H        LEU  13   7.940   0.221   0.185
   81    HA   LEU  13           HA       LEU  13   5.720  -1.457  -0.650
   82   1HB   LEU  13          2HB       LEU  13   8.337  -2.173   0.710
   83   2HB   LEU  13          1HB       LEU  13   7.319  -3.254  -0.238
   84    HG   LEU  13           HG       LEU  13   7.959  -0.833  -1.718
   85   1HD1  LEU  13          1HD1      LEU  13  10.047  -1.782  -0.071
   86   2HD1  LEU  13          3HD1      LEU  13  10.400  -2.384  -1.692
   87   3HD1  LEU  13          2HD1      LEU  13  10.185  -0.654  -1.420
   88   1HD2  LEU  13          2HD2      LEU  13   8.248  -3.819  -2.075
   89   2HD2  LEU  13          1HD2      LEU  13   7.148  -2.718  -2.905
   90   3HD2  LEU  13          3HD2      LEU  13   8.871  -2.689  -3.278
   91    H    TYR  14           H        TYR  14   6.908  -0.284   2.406
   92    HA   TYR  14           HA       TYR  14   5.393  -2.258   3.984
   93   1HB   TYR  14          2HB       TYR  14   7.622  -1.250   4.631
   94   2HB   TYR  14          1HB       TYR  14   6.796   0.298   4.828
   95    HD1  TYR  14           HD2      TYR  14   4.694   0.315   6.356
   96    HD2  TYR  14           HD1      TYR  14   7.675  -2.779   6.418
   97    HE1  TYR  14           HE2      TYR  14   3.952  -0.351   8.629
   98    HE2  TYR  14           HE1      TYR  14   6.936  -3.446   8.693
   99    HH   TYR  14           HH       TYR  14   4.969  -1.528  10.624
  100    H    GLN  15           H        GLN  15   5.021   0.954   2.649
  101    HA   GLN  15           HA       GLN  15   2.760   1.708   4.331
  102   1HB   GLN  15          2HB       GLN  15   4.490   2.885   2.433
  103   2HB   GLN  15          1HB       GLN  15   2.894   2.958   1.691
  104   1HG   GLN  15          2HG       GLN  15   2.085   3.836   3.988
  105   2HG   GLN  15          1HG       GLN  15   3.793   4.125   4.321
  106   1HE2  GLN  15          2HE2      GLN  15   2.414   7.224   2.758
  107   2HE2  GLN  15          1HE2      GLN  15   2.096   6.351   4.178
  108    H    LEU  16           H        LEU  16   3.346   0.087   1.272
  109    HA   LEU  16           HA       LEU  16   0.539  -0.198   0.526
  110   1HB   LEU  16          2HB       LEU  16   2.999  -0.347  -0.694
  111   2HB   LEU  16          1HB       LEU  16   2.581  -2.053  -0.538
  112    HG   LEU  16           HG       LEU  16   0.330  -1.472  -1.572
  113   1HD1  LEU  16          1HD1      LEU  16   0.799   1.052  -1.052
  114   2HD1  LEU  16          3HD1      LEU  16   1.695   1.015  -2.571
  115   3HD1  LEU  16          2HD1      LEU  16  -0.024   0.627  -2.552
  116   1HD2  LEU  16          1HD2      LEU  16   2.297  -2.472  -2.808
  117   2HD2  LEU  16          3HD2      LEU  16   1.206  -1.533  -3.827
  118   3HD2  LEU  16          2HD2      LEU  16   2.738  -0.838  -3.303
  119    H    GLU  17           H        GLU  17   2.812  -1.806   2.574
  120    HA   GLU  17           HA       GLU  17   1.764  -4.476   2.591
  121   1HB   GLU  17          2HB       GLU  17   3.409  -2.714   4.347
  122   2HB   GLU  17          1HB       GLU  17   2.755  -4.179   5.071
  123   1HG   GLU  17          2HG       GLU  17   3.695  -5.066   2.632
  124   2HG   GLU  17          1HG       GLU  17   4.880  -3.857   3.107
  125    H    ASN  18           H        ASN  18   0.680  -1.496   4.085
  126    HA   ASN  18           HA       ASN  18  -1.012  -2.703   6.095
  127   1HB   ASN  18          2HB       ASN  18  -0.436  -0.056   4.911
  128   2HB   ASN  18          1HB       ASN  18  -2.055  -0.223   5.589
  129   1HD2  ASN  18          2HD2      ASN  18   0.870  -1.154   8.304
  130   2HD2  ASN  18          1HD2      ASN  18   0.856  -1.916   6.786
  131    H    TYR  19           H        TYR  19  -1.312  -3.362   2.963
  132    HA   TYR  19           HA       TYR  19  -4.286  -2.999   2.983
  133   1HB   TYR  19          2HB       TYR  19  -2.272  -2.991   0.716
  134   2HB   TYR  19          1HB       TYR  19  -4.023  -2.893   0.493
  135    HD1  TYR  19           HD2      TYR  19  -5.211  -1.104   2.109
  136    HD2  TYR  19           HD1      TYR  19  -1.109  -0.967   0.844
  137    HE1  TYR  19           HE2      TYR  19  -5.138   1.324   2.615
  138    HE2  TYR  19           HE1      TYR  19  -1.033   1.461   1.352
  139    HH   TYR  19           HH       TYR  19  -2.648   3.008   3.172
  140    H    CYS  20           H        CYS  20  -1.677  -5.315   2.752
  141    HA   CYS  20           HA       CYS  20  -3.580  -7.377   1.767
  142   1HB   CYS  20          2HB       CYS  20  -0.870  -8.302   2.232
  143   2HB   CYS  20          1HB       CYS  20  -1.787  -8.255   0.735
  144    H    ASN  21           HN       ASN  21  -3.215  -9.589   2.936
  145    HA   ASN  21           HA       ASN  21  -3.423 -10.828   4.936
  146   1HB   ASN  21          2HB       ASN  21  -1.550  -8.615   5.841
  147   2HB   ASN  21          1HB       ASN  21  -1.807 -10.138   6.692
  148   1HD2  ASN  21          2HD2      ASN  21  -0.204 -12.049   3.994
  149   2HD2  ASN  21          1HD2      ASN  21  -1.626 -12.117   4.920
  150   1H    PHE   1          3H        PHE  22  17.991   1.901  -2.512
  151   2H    PHE   1          2H        PHE  22  18.610   0.869  -3.711
  152   3H    PHE   1          1H        PHE  22  18.740   2.554  -3.887
  153    HA   PHE   1           HA       PHE  22  16.954   2.121  -5.262
  154   1HB   PHE   1          2HB       PHE  22  16.866  -0.229  -4.909
  155   2HB   PHE   1          1HB       PHE  22  16.475  -0.037  -3.200
  156    HD1  PHE   1           HD1      PHE  22  15.127   0.985  -6.558
  157    HD2  PHE   1           HD2      PHE  22  14.254  -0.328  -2.560
  158    HE1  PHE   1           HE1      PHE  22  12.707   0.932  -7.103
  159    HE2  PHE   1           HE2      PHE  22  11.835  -0.381  -3.105
  160    HZ   PHE   1           HZ       PHE  22  11.061   0.250  -5.377
  161    H    VAL   2           H        VAL  23  14.714   2.926  -5.122
  162    HA   VAL   2           HA       VAL  23  13.842   3.962  -2.480
  163    HB   VAL   2           HB       VAL  23  13.549   6.223  -3.628
  164   1HG1  VAL   2          1HG1      VAL  23  16.304   5.020  -3.269
  165   2HG1  VAL   2          3HG1      VAL  23  16.034   6.742  -3.534
  166   3HG1  VAL   2          2HG1      VAL  23  15.382   5.957  -2.095
  167   1HG2  VAL   2          1HG2      VAL  23  13.737   5.180  -5.946
  168   2HG2  VAL   2          3HG2      VAL  23  14.703   6.634  -5.692
  169   3HG2  VAL   2          2HG2      VAL  23  15.471   5.046  -5.650
  170    H    ASN   3           H        ASN  24  11.594   5.027  -2.819
  171    HA   ASN   3           HA       ASN  24  10.038   3.320  -4.713
  172   1HB   ASN   3          2HB       ASN  24   9.768   4.233  -1.978
  173   2HB   ASN   3          1HB       ASN  24   8.346   4.694  -2.912
  174   1HD2  ASN   3          2HD2      ASN  24   7.320   1.316  -3.513
  175   2HD2  ASN   3          1HD2      ASN  24   7.212   2.901  -4.108
  176    H    GLN   4           H        GLN  25   8.225   4.378  -5.861
  177    HA   GLN   4           HA       GLN  25   8.633   7.314  -6.283
  178   1HB   GLN   4          2HB       GLN  25   9.644   5.643  -7.956
  179   2HB   GLN   4          1HB       GLN  25   7.991   5.260  -8.423
  180   1HG   GLN   4          2HG       GLN  25   7.967   7.082  -9.755
  181   2HG   GLN   4          1HG       GLN  25   8.255   8.110  -8.349
  182   1HE2  GLN   4          2HE2      GLN  25  11.136   8.062 -10.974
  183   2HE2  GLN   4          1HE2      GLN  25   9.468   7.940 -11.265
  184    H    HIS   5           H        HIS  26   6.474   7.625  -8.149
  185    HA   HIS   5           HA       HIS  26   4.181   7.203  -6.329
  186   1HB   HIS   5          2HB       HIS  26   3.789   8.542  -8.953
  187   2HB   HIS   5          1HB       HIS  26   3.252   9.033  -7.359
  188    HD1  HIS   5           HD1      HIS  26   4.630  10.700  -6.090
  189    HD2  HIS   5           HD2      HIS  26   6.572   9.329  -9.514
  190    HE1  HIS   5           HE1      HIS  26   6.642  12.198  -6.413
  191    H    LEU   6           H        LEU  27   2.696   5.617  -6.723
  192    HA   LEU   6           HA       LEU  27   2.875   4.119  -9.286
  193   1HB   LEU   6          2HB       LEU  27   2.027   3.309  -6.499
  194   2HB   LEU   6          1HB       LEU  27   2.066   2.226  -7.879
  195    HG   LEU   6           HG       LEU  27   4.567   3.724  -7.349
  196   1HD1  LEU   6          3HD1      LEU  27   3.562   1.492  -5.550
  197   2HD1  LEU   6          2HD1      LEU  27   5.215   2.105  -5.565
  198   3HD1  LEU   6          1HD1      LEU  27   3.891   3.153  -5.056
  199   1HD2  LEU   6          1HD2      LEU  27   3.629   1.404  -8.723
  200   2HD2  LEU   6          3HD2      LEU  27   5.247   2.103  -8.743
  201   3HD2  LEU   6          2HD2      LEU  27   4.824   0.894  -7.531
  202    H    CYS   7           H        CYS  28   0.978   6.414  -8.927
  203    HA   CYS   7           HA       CYS  28  -1.542   6.294  -8.342
  204   1HB   CYS   7          2HB       CYS  28  -0.305   7.427 -10.384
  205   2HB   CYS   7          1HB       CYS  28  -1.208   6.211 -11.293
  206    H    GLY   8           H        GLY  29  -3.076   4.912  -8.021
  207   1HA   GLY   8          2HA       GLY  29  -3.652   2.518  -7.862
  208   2HA   GLY   8          1HA       GLY  29  -4.687   3.284  -9.041
  209    H    SER   9           H        SER  30  -3.509   3.208 -11.452
  210    HA   SER   9           HA       SER  30  -3.396   0.509 -12.184
  211   1HB   SER   9          2HB       SER  30  -1.986   1.607 -14.140
  212   2HB   SER   9          1HB       SER  30  -3.678   2.042 -13.917
  213    HG   SER   9           HG       SER  30  -1.391   3.425 -12.957
  214    H    HIS  10           H        HIS  31  -0.779   2.652 -11.151
  215    HA   HIS  10           HA       HIS  31   1.287   0.614 -11.616
  216   1HB   HIS  10          2HB       HIS  31   1.021   3.412 -10.709
  217   2HB   HIS  10          1HB       HIS  31   2.328   2.521  -9.933
  218    HD1  HIS  10           HD1      HIS  31   4.461   2.727 -11.192
  219    HD2  HIS  10           HD2      HIS  31   1.172   2.800 -13.752
  220    HE1  HIS  10           HE1      HIS  31   5.384   2.990 -13.536
  221    H    LEU  11           H        LEU  32  -0.607   1.943  -8.976
  222    HA   LEU  11           HA       LEU  32   0.610   0.488  -6.836
  223   1HB   LEU  11          2HB       LEU  32  -1.956   1.888  -7.388
  224   2HB   LEU  11          1HB       LEU  32  -1.886   0.841  -5.976
  225    HG   LEU  11           HG       LEU  32   0.121   3.024  -6.578
  226   1HD1  LEU  11          3HD1      LEU  32  -2.366   3.533  -5.765
  227   2HD1  LEU  11          2HD1      LEU  32  -1.699   3.035  -4.214
  228   3HD1  LEU  11          1HD1      LEU  32  -0.985   4.391  -5.079
  229   1HD2  LEU  11          3HD2      LEU  32   0.251   0.672  -5.018
  230   2HD2  LEU  11          2HD2      LEU  32   1.388   2.020  -5.010
  231   3HD2  LEU  11          1HD2      LEU  32   0.034   1.999  -3.880
  232    H    VAL  12           H        VAL  33  -2.405  -0.211  -8.731
  233    HA   VAL  12           HA       VAL  33  -2.991  -2.602  -7.464
  234    HB   VAL  12           HB       VAL  33  -3.443  -1.349 -10.088
  235   1HG1  VAL  12          1HG1      VAL  33  -3.801  -4.330  -9.728
  236   2HG1  VAL  12          3HG1      VAL  33  -4.507  -3.393 -11.045
  237   3HG1  VAL  12          2HG1      VAL  33  -2.754  -3.535 -10.903
  238   1HG2  VAL  12          2HG2      VAL  33  -4.865  -1.836  -7.748
  239   2HG2  VAL  12          1HG2      VAL  33  -5.529  -1.194  -9.250
  240   3HG2  VAL  12          3HG2      VAL  33  -5.595  -2.927  -8.926
  241    H    GLU  13           H        GLU  34  -0.416  -1.813  -9.682
  242    HA   GLU  13           HA       GLU  34   0.369  -4.656  -9.969
  243   1HB   GLU  13          2HB       GLU  34   1.063  -3.842 -11.962
  244   2HB   GLU  13          1HB       GLU  34   0.573  -2.234 -11.462
  245   1HG   GLU  13          2HG       GLU  34   2.892  -2.077 -12.038
  246   2HG   GLU  13          1HG       GLU  34   2.826  -2.052 -10.275
  247    H    ALA  14           H        ALA  35   1.087  -1.948  -7.923
  248    HA   ALA  14           HA       ALA  35   3.711  -3.130  -7.124
  249   1HB   ALA  14          1HB       ALA  35   3.161  -0.591  -7.624
  250   2HB   ALA  14          3HB       ALA  35   2.480  -0.619  -5.998
  251   3HB   ALA  14          2HB       ALA  35   4.185  -0.995  -6.247
  252    H    LEU  15           H        LEU  36   0.408  -2.782  -6.257
  253    HA   LEU  15           HA       LEU  36   0.831  -3.483  -3.425
  254   1HB   LEU  15          2HB       LEU  36  -0.866  -1.948  -3.713
  255   2HB   LEU  15          1HB       LEU  36  -1.257  -2.540  -5.284
  256    HG   LEU  15           HG       LEU  36  -2.528  -4.358  -4.451
  257   1HD1  LEU  15          1HD1      LEU  36  -0.734  -4.117  -2.237
  258   2HD1  LEU  15          3HD1      LEU  36  -2.377  -3.976  -1.612
  259   3HD1  LEU  15          2HD1      LEU  36  -1.908  -5.397  -2.545
  260   1HD2  LEU  15          3HD2      LEU  36  -3.481  -1.979  -4.227
  261   2HD2  LEU  15          2HD2      LEU  36  -4.266  -3.237  -3.270
  262   3HD2  LEU  15          1HD2      LEU  36  -3.132  -2.124  -2.503
  263    H    TYR  16           H        TYR  37   0.175  -4.987  -6.507
  264    HA   TYR  16           HA       TYR  37  -0.806  -7.499  -5.285
  265   1HB   TYR  16          2HB       TYR  37  -1.575  -7.758  -7.417
  266   2HB   TYR  16          1HB       TYR  37  -0.818  -6.240  -7.847
  267    HD1  TYR  16           HD1      TYR  37  -0.201  -9.907  -7.553
  268    HD2  TYR  16           HD2      TYR  37   1.156  -6.185  -9.228
  269    HE1  TYR  16           HE1      TYR  37   1.428 -11.131  -8.962
  270    HE2  TYR  16           HE2      TYR  37   2.779  -7.414 -10.638
  271    HH   TYR  16           HH       TYR  37   3.664  -9.391 -11.123
  272    H    LEU  17           H        LEU  38   2.098  -6.131  -6.796
  273    HA   LEU  17           HA       LEU  38   3.664  -8.509  -6.815
  274   1HB   LEU  17          2HB       LEU  38   3.963  -5.753  -7.360
  275   2HB   LEU  17          1HB       LEU  38   5.170  -6.105  -6.172
  276    HG   LEU  17           HG       LEU  38   6.436  -6.662  -7.973
  277   1HD1  LEU  17          3HD1      LEU  38   5.616  -8.858  -6.701
  278   2HD1  LEU  17          2HD1      LEU  38   4.916  -9.214  -8.279
  279   3HD1  LEU  17          1HD1      LEU  38   6.653  -8.955  -8.124
  280   1HD2  LEU  17          1HD2      LEU  38   4.067  -6.233  -9.337
  281   2HD2  LEU  17          3HD2      LEU  38   5.622  -6.609 -10.079
  282   3HD2  LEU  17          2HD2      LEU  38   4.467  -7.900  -9.751
  283    H    VAL  18           H        VAL  39   2.909  -6.065  -4.389
  284    HA   VAL  18           HA       VAL  39   4.989  -7.007  -2.662
  285    HB   VAL  18           HB       VAL  39   4.019  -4.642  -2.889
  286   1HG1  VAL  18          2HG1      VAL  39   1.638  -5.643  -2.448
  287   2HG1  VAL  18          1HG1      VAL  39   2.101  -5.502  -0.751
  288   3HG1  VAL  18          3HG1      VAL  39   2.060  -4.068  -1.777
  289   1HG2  VAL  18          1HG2      VAL  39   5.562  -5.652  -1.037
  290   2HG2  VAL  18          3HG2      VAL  39   4.791  -4.094  -0.743
  291   3HG2  VAL  18          2HG2      VAL  39   4.121  -5.560  -0.025
  292    H    CYS  19           H        CYS  40   1.564  -7.666  -3.046
  293    HA   CYS  19           HA       CYS  40   1.728  -9.588  -0.736
  294   1HB   CYS  19          2HB       CYS  40  -0.990  -8.832  -1.629
  295   2HB   CYS  19          1HB       CYS  40  -0.329  -8.897  -0.001
  296    H    GLY  20           H        GLY  41  -0.750  -9.332  -3.310
  297   1HA   GLY  20          2HA       GLY  41  -1.299 -10.805  -5.033
  298   2HA   GLY  20          1HA       GLY  41   0.371 -11.335  -5.002
  299    H    GLU  21           H        GLU  42   0.821 -12.733  -2.927
  300    HA   GLU  21           HA       GLU  42  -0.903 -15.054  -3.153
  301   1HB   GLU  21          2HB       GLU  42   1.536 -14.275  -1.561
  302   2HB   GLU  21          1HB       GLU  42   0.738 -15.826  -1.291
  303   1HG   GLU  21          2HG       GLU  42   0.988 -16.373  -3.688
  304   2HG   GLU  21          1HG       GLU  42   1.797 -14.827  -3.952
  305    H    ARG  22           H        ARG  43  -2.535 -13.056  -2.256
  306    HA   ARG  22           HA       ARG  43  -3.822 -14.149   0.009
  307   1HB   ARG  22          2HB       ARG  43  -1.475 -13.028   0.789
  308   2HB   ARG  22          1HB       ARG  43  -2.536 -11.630   0.909
  309   1HG   ARG  22          2HG       ARG  43  -2.550 -12.791   3.045
  310   2HG   ARG  22          1HG       ARG  43  -4.121 -13.010   2.273
  311   1HD   ARG  22          2HD       ARG  43  -3.432 -15.238   1.461
  312   2HD   ARG  22          1HD       ARG  43  -1.840 -15.021   2.215
  313    HE   ARG  22           HE       ARG  43  -4.344 -14.877   3.847
  314   1HH1  ARG  22          1HH2      ARG  43  -1.684 -14.396   5.131
  315   2HH1  ARG  22          2HH2      ARG  43  -1.300 -15.956   5.774
  316   1HH2  ARG  22          2HH1      ARG  43  -3.643 -17.624   3.836
  317   2HH2  ARG  22          1HH1      ARG  43  -2.412 -17.785   5.044
  318    H    GLY  23           H        GLY  44  -3.145 -11.414  -2.024
  319   1HA   GLY  23          2HA       GLY  44  -4.705  -9.940  -3.032
  320   2HA   GLY  23          1HA       GLY  44  -5.987 -10.717  -2.100
  321    H    PHE  24           H        PHE  45  -6.256  -8.082  -2.118
  322    HA   PHE  24           HA       PHE  45  -5.497  -7.292   0.644
  323   1HB   PHE  24          2HB       PHE  45  -4.689  -5.077  -0.335
  324   2HB   PHE  24          1HB       PHE  45  -3.657  -6.467  -0.664
  325    HD1  PHE  24           HD1      PHE  45  -6.500  -4.509  -2.115
  326    HD2  PHE  24           HD2      PHE  45  -3.103  -7.029  -2.877
  327    HE1  PHE  24           HE1      PHE  45  -6.767  -4.132  -4.554
  328    HE2  PHE  24           HE2      PHE  45  -3.371  -6.651  -5.315
  329    HZ   PHE  24           HZ       PHE  45  -5.203  -5.204  -6.153
  330    H    PHE  25           H        PHE  46  -6.332  -4.618   0.425
  331    HA   PHE  25           HA       PHE  46  -9.166  -4.824  -0.527
  332   1HB   PHE  25          2HB       PHE  46  -9.098  -5.268   1.863
  333   2HB   PHE  25          1HB       PHE  46  -8.071  -3.861   2.134
  334    HD1  PHE  25           HD1      PHE  46 -11.197  -4.439   0.141
  335    HD2  PHE  25           HD2      PHE  46  -9.252  -2.169   3.228
  336    HE1  PHE  25           HE1      PHE  46 -13.216  -3.014   0.364
  337    HE2  PHE  25           HE2      PHE  46 -11.271  -0.742   3.452
  338    HZ   PHE  25           HZ       PHE  46 -13.253  -1.166   2.020
  339    H    TYR  26           H        TYR  47  -8.279  -3.488  -2.359
  340    HA   TYR  26           HA       TYR  47  -8.214  -0.606  -1.587
  341   1HB   TYR  26          2HB       TYR  47  -5.917  -1.016  -1.795
  342   2HB   TYR  26          1HB       TYR  47  -6.150  -2.232  -3.054
  343    HD1  TYR  26           HD1      TYR  47  -7.325   1.286  -2.600
  344    HD2  TYR  26           HD2      TYR  47  -5.228  -1.514  -5.090
  345    HE1  TYR  26           HE1      TYR  47  -7.099   3.026  -4.347
  346    HE2  TYR  26           HE2      TYR  47  -5.004   0.224  -6.846
  347    HH   TYR  26           HH       TYR  47  -5.805   3.557  -6.255
  348    H    THR  27           H        THR  48 -10.281  -0.293  -2.544
  349    HA   THR  27           HA       THR  48 -10.485  -0.863  -5.477
  350    HB   THR  27           HB       THR  48 -12.025  -2.040  -3.970
  351    HG1  THR  27           HG1      THR  48 -12.857  -0.167  -5.829
  352   1HG2  THR  27          1HG2      THR  48 -12.528   0.781  -3.059
  353   2HG2  THR  27          3HG2      THR  48 -13.751  -0.468  -2.834
  354   3HG2  THR  27          2HG2      THR  48 -12.161  -0.645  -2.089
  355    HA   PRO  28           HA       PRO  49 -12.072   3.643  -4.647
  356   1HB   PRO  28          2HB       PRO  49 -10.311   5.181  -3.222
  357   2HB   PRO  28          1HB       PRO  49 -11.671   4.316  -2.480
  358   1HG   PRO  28          2HG       PRO  49  -8.794   3.596  -2.581
  359   2HG   PRO  28          1HG       PRO  49  -9.969   3.409  -1.276
  360   1HD   PRO  28          2HD       PRO  49  -9.171   1.366  -2.891
  361   2HD   PRO  28          1HD       PRO  49 -10.749   1.423  -2.076
  362    H    LYS  29           H        LYS  50 -11.402   5.482  -5.889
  363    HA   LYS  29           HA       LYS  50  -8.677   5.400  -7.104
  364   1HB   LYS  29          2HB       LYS  50 -11.358   5.033  -8.406
  365   2HB   LYS  29          1HB       LYS  50 -10.058   5.798  -9.319
  366   1HG   LYS  29          2HG       LYS  50  -8.602   3.815  -8.707
  367   2HG   LYS  29          1HG       LYS  50 -10.055   3.036  -8.078
  368   1HD   LYS  29          2HD       LYS  50  -9.847   2.265 -10.326
  369   2HD   LYS  29          1HD       LYS  50 -11.111   3.495 -10.365
  370   1HE   LYS  29          2HE       LYS  50  -9.522   3.840 -12.230
  371   2HE   LYS  29          1HE       LYS  50  -9.406   5.182 -11.075
  372   1HZ   LYS  29          1HZ       LYS  50  -7.770   3.041 -10.220
  373   2HZ   LYS  29          3HZ       LYS  50  -7.379   3.428 -11.825
  374   3HZ   LYS  29          2HZ       LYS  50  -7.318   4.629 -10.626
  375    H    THR  30           HN       THR  51  -9.137   7.327  -5.333
  376    HA   THR  30           HA       THR  51  -9.242   9.674  -5.057
  377    HB   THR  30           HB       THR  51  -9.265   9.873  -8.058
  378    HG1  THR  30           HG1      THR  51  -7.112   8.983  -6.442
  379   1HG2  THR  30          3HG2      THR  51  -8.861  11.668  -6.001
  380   2HG2  THR  30          2HG2      THR  51  -7.214  11.239  -6.465
  381   3HG2  THR  30          1HG2      THR  51  -8.325  11.894  -7.667
   
  No H/Q in entry =         381
  Start of MODEL   10
    1   1H    GLY   1          3H        GLY   1  -5.806   6.728   2.251
    2   2H    GLY   1          2H        GLY   1  -7.485   6.587   2.473
    3   3H    GLY   1          1H        GLY   1  -6.548   5.206   2.157
    4   1HA   GLY   1          2HA       GLY   1  -7.640   5.733   0.145
    5   2HA   GLY   1          1HA       GLY   1  -7.182   7.429   0.302
    6    H    ILE   2           H        ILE   2  -5.462   4.293   0.474
    7    HA   ILE   2           HA       ILE   2  -2.916   4.982  -0.228
    8    HB   ILE   2           HB       ILE   2  -3.118   2.702   0.006
    9   1HG1  ILE   2          2HG1      ILE   2  -2.092   3.205  -2.299
   10   2HG1  ILE   2          1HG1      ILE   2  -2.652   1.561  -2.013
   11   1HG2  ILE   2          1HG2      ILE   2  -5.800   3.146  -1.178
   12   2HG2  ILE   2          3HG2      ILE   2  -5.102   1.542  -1.399
   13   3HG2  ILE   2          2HG2      ILE   2  -5.325   2.191   0.225
   14   1HD1  ILE   2          1HD1      ILE   2  -4.926   2.727  -3.024
   15   2HD1  ILE   2          3HD1      ILE   2  -3.668   3.596  -3.897
   16   3HD1  ILE   2          2HD1      ILE   2  -3.752   1.840  -3.989
   17    H    VAL   3           H        VAL   3  -5.678   5.153  -2.379
   18    HA   VAL   3           HA       VAL   3  -4.340   5.373  -4.884
   19    HB   VAL   3           HB       VAL   3  -6.452   6.750  -5.425
   20   1HG1  VAL   3          2HG1      VAL   3  -6.030   4.058  -5.173
   21   2HG1  VAL   3          1HG1      VAL   3  -7.398   4.296  -4.088
   22   3HG1  VAL   3          3HG1      VAL   3  -7.525   4.772  -5.780
   23   1HG2  VAL   3          1HG2      VAL   3  -6.477   6.874  -2.577
   24   2HG2  VAL   3          3HG2      VAL   3  -7.657   7.551  -3.699
   25   3HG2  VAL   3          2HG2      VAL   3  -7.870   5.915  -3.075
   26    H    GLU   4           H        GLU   4  -4.769   7.708  -2.282
   27    HA   GLU   4           HA       GLU   4  -3.713   9.918  -3.963
   28   1HB   GLU   4          2HB       GLU   4  -4.309  10.099  -1.021
   29   2HB   GLU   4          1HB       GLU   4  -4.563  11.306  -2.280
   30   1HG   GLU   4          2HG       GLU   4  -6.202   9.290  -3.140
   31   2HG   GLU   4          1HG       GLU   4  -6.327   9.112  -1.391
   32    H    GLN   5           H        GLN   5  -2.429   7.403  -2.201
   33    HA   GLN   5           HA       GLN   5  -0.211   8.978  -1.041
   34   1HB   GLN   5          2HB       GLN   5  -0.633   7.408   0.520
   35   2HB   GLN   5          1HB       GLN   5  -1.526   6.390  -0.601
   36   1HG   GLN   5          2HG       GLN   5   0.340   5.134  -1.121
   37   2HG   GLN   5          1HG       GLN   5   1.439   6.500  -0.940
   38   1HE2  GLN   5          2HE2      GLN   5   2.079   5.893   2.487
   39   2HE2  GLN   5          1HE2      GLN   5   2.284   6.963   1.185
   40    H    CYS   6           H        CYS   6   0.033   5.819  -2.822
   41    HA   CYS   6           HA       CYS   6   2.610   6.527  -3.847
   42   1HB   CYS   6          2HB       CYS   6   0.849   4.474  -5.190
   43   2HB   CYS   6          1HB       CYS   6   2.575   4.443  -4.898
   44    H    CYS   7           H        CYS   7  -0.549   7.443  -5.065
   45    HA   CYS   7           HA       CYS   7   0.574   7.872  -7.778
   46   1HB   CYS   7          2HB       CYS   7  -1.833   7.242  -7.189
   47   2HB   CYS   7          1HB       CYS   7  -2.007   8.860  -6.581
   48    H    THR   8           H        THR   8  -0.736   9.866  -5.155
   49    HA   THR   8           HA       THR   8   0.451  12.318  -6.304
   50    HB   THR   8           HB       THR   8  -1.303  11.606  -3.940
   51    HG1  THR   8           HG1      THR   8  -2.833  12.091  -5.283
   52   1HG2  THR   8          2HG2      THR   8   0.167  14.105  -4.548
   53   2HG2  THR   8          1HG2      THR   8  -1.540  14.304  -4.152
   54   3HG2  THR   8          3HG2      THR   8  -0.456  13.510  -3.010
   55    H    SER   9           H        SER   9   2.224  10.130  -5.298
   56    HA   SER   9           HA       SER   9   4.228  11.604  -3.966
   57   1HB   SER   9          2HB       SER   9   3.010  11.947  -2.029
   58   2HB   SER   9          1HB       SER   9   2.036  10.500  -2.266
   59    HG   SER   9           HG       SER   9   3.690  10.490  -0.527
   60    H    ILE  10           H        ILE  10   5.530   9.824  -2.409
   61    HA   ILE  10           HA       ILE  10   5.718   7.358  -4.107
   62    HB   ILE  10           HB       ILE  10   7.767   8.904  -2.494
   63   1HG1  ILE  10          2HG1      ILE  10   8.434   8.535  -5.255
   64   2HG1  ILE  10          1HG1      ILE  10   6.788   9.163  -5.166
   65   1HG2  ILE  10          1HG2      ILE  10   7.842   6.235  -3.860
   66   2HG2  ILE  10          3HG2      ILE  10   9.297   7.230  -3.838
   67   3HG2  ILE  10          2HG2      ILE  10   8.555   6.721  -2.322
   68   1HD1  ILE  10          2HD1      ILE  10   8.518  10.513  -3.264
   69   2HD1  ILE  10          1HD1      ILE  10   9.157  10.642  -4.901
   70   3HD1  ILE  10          3HD1      ILE  10   7.523  11.202  -4.547
   71    H    CYS  11           H        CYS  11   5.000   5.576  -3.033
   72    HA   CYS  11           HA       CYS  11   5.221   5.514  -0.039
   73   1HB   CYS  11          2HB       CYS  11   3.215   4.171  -0.098
   74   2HB   CYS  11          1HB       CYS  11   2.953   5.497  -1.206
   75    H    SER  12           H        SER  12   6.120   3.601   0.909
   76    HA   SER  12           HA       SER  12   7.729   1.969  -0.992
   77   1HB   SER  12          2HB       SER  12   8.466   1.302   1.581
   78   2HB   SER  12          1HB       SER  12   9.243   2.506   0.573
   79    HG   SER  12           HG       SER  12   8.667   3.574   2.402
   80    H    LEU  13           H        LEU  13   8.244  -0.247   0.299
   81    HA   LEU  13           HA       LEU  13   5.922  -1.896  -0.109
   82   1HB   LEU  13          2HB       LEU  13   7.852  -3.071  -0.495
   83   2HB   LEU  13          1HB       LEU  13   8.766  -2.167   0.700
   84    HG   LEU  13           HG       LEU  13   8.383  -4.630   1.214
   85   1HD1  LEU  13          2HD1      LEU  13   8.526  -2.434   2.876
   86   2HD1  LEU  13          1HD1      LEU  13   7.105  -3.285   3.483
   87   3HD1  LEU  13          3HD1      LEU  13   8.659  -4.114   3.395
   88   1HD2  LEU  13          2HD2      LEU  13   5.704  -3.889   0.677
   89   2HD2  LEU  13          1HD2      LEU  13   6.292  -5.460   1.220
   90   3HD2  LEU  13          3HD2      LEU  13   5.784  -4.252   2.400
   91    H    TYR  14           H        TYR  14   7.494  -0.684   2.829
   92    HA   TYR  14           HA       TYR  14   5.736  -2.102   4.635
   93   1HB   TYR  14          2HB       TYR  14   8.065  -1.124   5.075
   94   2HB   TYR  14          1HB       TYR  14   7.270   0.449   5.179
   95    HD1  TYR  14           HD2      TYR  14   5.228   0.634   6.765
   96    HD2  TYR  14           HD1      TYR  14   8.121  -2.537   6.966
   97    HE1  TYR  14           HE2      TYR  14   4.525   0.142   9.091
   98    HE2  TYR  14           HE1      TYR  14   7.419  -3.029   9.296
   99    HH   TYR  14           HH       TYR  14   4.576  -1.803  10.651
  100    H    GLN  15           H        GLN  15   5.662   0.988   2.949
  101    HA   GLN  15           HA       GLN  15   3.428   2.077   4.474
  102   1HB   GLN  15          2HB       GLN  15   5.240   2.823   2.335
  103   2HB   GLN  15          1HB       GLN  15   3.586   3.254   1.898
  104   1HG   GLN  15          2HG       GLN  15   3.309   4.468   3.999
  105   2HG   GLN  15          1HG       GLN  15   4.920   3.975   4.523
  106   1HE2  GLN  15          2HE2      GLN  15   6.596   6.200   2.223
  107   2HE2  GLN  15          1HE2      GLN  15   6.758   4.683   2.966
  108    H    LEU  16           H        LEU  16   3.815   0.410   1.322
  109    HA   LEU  16           HA       LEU  16   0.952   0.348   0.801
  110   1HB   LEU  16          2HB       LEU  16   3.079   0.133  -0.758
  111   2HB   LEU  16          1HB       LEU  16   2.960  -1.577  -0.343
  112    HG   LEU  16           HG       LEU  16   0.365  -1.051  -0.929
  113   1HD1  LEU  16          1HD1      LEU  16   1.445   1.306  -1.654
  114   2HD1  LEU  16          3HD1      LEU  16   1.700   0.411  -3.153
  115   3HD1  LEU  16          2HD1      LEU  16   0.071   0.596  -2.503
  116   1HD2  LEU  16          3HD2      LEU  16   2.706  -2.051  -2.488
  117   2HD2  LEU  16          2HD2      LEU  16   1.234  -2.894  -2.007
  118   3HD2  LEU  16          1HD2      LEU  16   1.203  -1.776  -3.369
  119    H    GLU  17           H        GLU  17   3.159  -1.369   2.773
  120    HA   GLU  17           HA       GLU  17   2.176  -3.997   2.927
  121   1HB   GLU  17          2HB       GLU  17   4.067  -2.597   4.113
  122   2HB   GLU  17          1HB       GLU  17   2.853  -2.396   5.367
  123   1HG   GLU  17          2HG       GLU  17   3.381  -5.134   4.264
  124   2HG   GLU  17          1HG       GLU  17   4.468  -4.447   5.465
  125    H    ASN  18           H        ASN  18   0.924  -1.019   4.343
  126    HA   ASN  18           HA       ASN  18  -1.041  -2.266   6.055
  127   1HB   ASN  18          2HB       ASN  18  -1.030   0.508   4.837
  128   2HB   ASN  18          1HB       ASN  18  -1.784   0.015   6.355
  129   1HD2  ASN  18          2HD2      ASN  18   1.441   1.502   7.359
  130   2HD2  ASN  18          1HD2      ASN  18  -0.046   2.039   6.742
  131    H    TYR  19           H        TYR  19  -1.113  -3.109   3.105
  132    HA   TYR  19           HA       TYR  19  -4.028  -2.576   2.729
  133   1HB   TYR  19          2HB       TYR  19  -1.817  -2.372   0.660
  134   2HB   TYR  19          1HB       TYR  19  -3.540  -2.229   0.306
  135    HD1  TYR  19           HD2      TYR  19  -4.735  -0.609   2.268
  136    HD2  TYR  19           HD1      TYR  19  -0.745  -0.305   0.708
  137    HE1  TYR  19           HE2      TYR  19  -4.658   1.778   2.929
  138    HE2  TYR  19           HE1      TYR  19  -0.663   2.082   1.374
  139    HH   TYR  19           HH       TYR  19  -1.691   3.687   2.580
  140    H    CYS  20           H        CYS  20  -1.447  -4.837   2.770
  141    HA   CYS  20           HA       CYS  20  -2.283  -6.832   0.939
  142   1HB   CYS  20          2HB       CYS  20  -1.151  -7.296   3.714
  143   2HB   CYS  20          1HB       CYS  20  -0.896  -8.278   2.274
  144    H    ASN  21           HN       ASN  21  -2.776  -9.093   2.669
  145    HA   ASN  21           HA       ASN  21  -5.632  -8.994   2.917
  146   1HB   ASN  21          2HB       ASN  21  -4.510 -11.085   2.621
  147   2HB   ASN  21          1HB       ASN  21  -3.450 -10.792   4.000
  148   1HD2  ASN  21          2HD2      ASN  21  -5.715 -12.170   6.317
  149   2HD2  ASN  21          1HD2      ASN  21  -4.148 -11.598   6.004
  150   1H    PHE   1          3H        PHE  22   9.692  -4.114  -6.147
  151   2H    PHE   1          2H        PHE  22   8.055  -4.568  -6.136
  152   3H    PHE   1          1H        PHE  22   8.680  -3.665  -7.433
  153    HA   PHE   1           HA       PHE  22   7.415  -2.205  -6.017
  154   1HB   PHE   1          2HB       PHE  22   7.471  -2.465  -3.744
  155   2HB   PHE   1          1HB       PHE  22   8.199  -4.022  -4.125
  156    HD1  PHE   1           HD1      PHE  22   8.944  -0.497  -3.211
  157    HD2  PHE   1           HD2      PHE  22  10.490  -4.488  -3.593
  158    HE1  PHE   1           HE1      PHE  22  11.010   0.191  -2.023
  159    HE2  PHE   1           HE2      PHE  22  12.558  -3.801  -2.403
  160    HZ   PHE   1           HZ       PHE  22  12.816  -1.461  -1.618
  161    H    VAL   2           H        VAL  23   8.150  -0.008  -5.714
  162    HA   VAL   2           HA       VAL  23  11.064   0.528  -5.860
  163    HB   VAL   2           HB       VAL  23  10.618   1.956  -7.920
  164   1HG1  VAL   2          1HG1      VAL  23  11.511  -0.496  -7.815
  165   2HG1  VAL   2          3HG1      VAL  23   9.929  -0.923  -8.466
  166   3HG1  VAL   2          2HG1      VAL  23  10.994   0.152  -9.372
  167   1HG2  VAL   2          2HG2      VAL  23   8.162   2.089  -7.629
  168   2HG2  VAL   2          1HG2      VAL  23   8.580   1.416  -9.204
  169   3HG2  VAL   2          3HG2      VAL  23   8.038   0.352  -7.906
  170    H    ASN   3           H        ASN  24  11.546   2.476  -4.855
  171    HA   ASN   3           HA       ASN  24   9.507   3.871  -3.371
  172   1HB   ASN   3          2HB       ASN  24  12.295   3.647  -3.454
  173   2HB   ASN   3          1HB       ASN  24  11.983   5.340  -3.840
  174   1HD2  ASN   3          2HD2      ASN  24  12.052   4.791  -0.078
  175   2HD2  ASN   3          1HD2      ASN  24  13.130   4.335  -1.308
  176    H    GLN   4           H        GLN  25   8.047   4.348  -5.257
  177    HA   GLN   4           HA       GLN  25   8.624   7.036  -6.352
  178   1HB   GLN   4          2HB       GLN  25   9.550   5.146  -7.840
  179   2HB   GLN   4          1HB       GLN  25   7.869   4.714  -8.153
  180   1HG   GLN   4          2HG       GLN  25   7.495   6.576  -9.442
  181   2HG   GLN   4          1HG       GLN  25   8.570   7.587  -8.476
  182   1HE2  GLN   4          2HE2      GLN  25  11.395   6.984 -10.516
  183   2HE2  GLN   4          1HE2      GLN  25  10.787   7.739  -9.124
  184    H    HIS   5           H        HIS  26   6.435   7.261  -8.055
  185    HA   HIS   5           HA       HIS  26   4.202   6.945  -6.144
  186   1HB   HIS   5          2HB       HIS  26   3.916   8.238  -8.840
  187   2HB   HIS   5          1HB       HIS  26   3.185   8.693  -7.314
  188    HD1  HIS   5           HD1      HIS  26   4.294  10.516  -6.010
  189    HD2  HIS   5           HD2      HIS  26   6.826   8.939  -8.921
  190    HE1  HIS   5           HE1      HIS  26   6.356  11.983  -6.035
  191    H    LEU   6           H        LEU  27   2.592   5.400  -6.460
  192    HA   LEU   6           HA       LEU  27   2.817   3.756  -8.919
  193   1HB   LEU   6          2HB       LEU  27   1.735   3.165  -6.164
  194   2HB   LEU   6          1HB       LEU  27   1.822   1.994  -7.466
  195    HG   LEU   6           HG       LEU  27   4.271   3.484  -6.542
  196   1HD1  LEU   6          2HD1      LEU  27   2.979   2.123  -4.704
  197   2HD1  LEU   6          1HD1      LEU  27   3.575   0.717  -5.585
  198   3HD1  LEU   6          3HD1      LEU  27   4.714   1.873  -4.895
  199   1HD2  LEU   6          2HD2      LEU  27   3.731   1.799  -8.663
  200   2HD2  LEU   6          1HD2      LEU  27   5.334   2.122  -7.999
  201   3HD2  LEU   6          3HD2      LEU  27   4.424   0.709  -7.461
  202    H    CYS   7           H        CYS  28   0.989   6.175  -8.731
  203    HA   CYS   7           HA       CYS  28  -1.571   6.245  -8.491
  204   1HB   CYS   7          2HB       CYS  28  -0.246   6.034 -11.185
  205   2HB   CYS   7          1HB       CYS  28  -1.904   6.601 -10.966
  206    H    GLY   8           H        GLY  29  -3.101   4.840  -8.059
  207   1HA   GLY   8          2HA       GLY  29  -3.760   2.474  -7.854
  208   2HA   GLY   8          1HA       GLY  29  -4.740   3.224  -9.088
  209    H    SER   9           H        SER  30  -3.572   3.008 -11.466
  210    HA   SER   9           HA       SER  30  -3.434   0.287 -12.097
  211   1HB   SER   9          2HB       SER  30  -3.551   1.438 -14.048
  212   2HB   SER   9          1HB       SER  30  -2.862   2.877 -13.304
  213    HG   SER   9           HG       SER  30  -1.194   2.361 -14.486
  214    H    HIS  10           H        HIS  31  -0.843   2.474 -11.116
  215    HA   HIS  10           HA       HIS  31   1.263   0.492 -11.569
  216   1HB   HIS  10          2HB       HIS  31   0.936   3.262 -10.586
  217   2HB   HIS  10          1HB       HIS  31   2.274   2.369  -9.861
  218    HD1  HIS  10           HD1      HIS  31   0.905   2.467 -13.422
  219    HD2  HIS  10           HD2      HIS  31   4.509   2.928 -11.380
  220    HE1  HIS  10           HE1      HIS  31   2.681   2.851 -15.185
  221    H    LEU  11           H        LEU  32  -0.698   1.713  -8.925
  222    HA   LEU  11           HA       LEU  32   0.526   0.289  -6.769
  223   1HB   LEU  11          2HB       LEU  32  -2.149   1.495  -7.388
  224   2HB   LEU  11          1HB       LEU  32  -1.988   0.492  -5.950
  225    HG   LEU  11           HG       LEU  32  -0.166   2.819  -6.571
  226   1HD1  LEU  11          2HD1      LEU  32  -2.834   2.712  -5.419
  227   2HD1  LEU  11          1HD1      LEU  32  -1.660   3.346  -4.266
  228   3HD1  LEU  11          3HD1      LEU  32  -1.859   4.121  -5.838
  229   1HD2  LEU  11          3HD2      LEU  32   0.144   0.592  -4.941
  230   2HD2  LEU  11          2HD2      LEU  32   1.027   2.111  -4.786
  231   3HD2  LEU  11          1HD2      LEU  32  -0.432   1.836  -3.832
  232    H    VAL  12           H        VAL  33  -2.443  -0.512  -8.679
  233    HA   VAL  12           HA       VAL  33  -2.961  -2.943  -7.484
  234    HB   VAL  12           HB       VAL  33  -3.460  -1.609 -10.047
  235   1HG1  VAL  12          1HG1      VAL  33  -3.634  -4.613  -9.826
  236   2HG1  VAL  12          3HG1      VAL  33  -4.549  -3.681 -11.011
  237   3HG1  VAL  12          2HG1      VAL  33  -2.786  -3.672 -11.054
  238   1HG2  VAL  12          1HG2      VAL  33  -4.967  -1.559  -8.082
  239   2HG2  VAL  12          3HG2      VAL  33  -5.761  -2.213  -9.513
  240   3HG2  VAL  12          2HG2      VAL  33  -5.197  -3.300  -8.245
  241    H    GLU  13           H        GLU  34  -0.397  -2.133  -9.743
  242    HA   GLU  13           HA       GLU  34   0.304  -4.980 -10.106
  243   1HB   GLU  13          2HB       GLU  34   1.360  -2.348 -11.120
  244   2HB   GLU  13          1HB       GLU  34   2.154  -3.870 -11.493
  245   1HG   GLU  13          2HG       GLU  34   0.233  -4.702 -12.644
  246   2HG   GLU  13          1HG       GLU  34  -0.784  -3.401 -12.025
  247    H    ALA  14           H        ALA  35   1.222  -2.288  -8.090
  248    HA   ALA  14           HA       ALA  35   3.752  -3.645  -7.289
  249   1HB   ALA  14          2HB       ALA  35   2.602  -0.921  -7.266
  250   2HB   ALA  14          1HB       ALA  35   3.505  -1.335  -5.809
  251   3HB   ALA  14          3HB       ALA  35   4.288  -1.422  -7.387
  252    H    LEU  15           H        LEU  36   0.475  -3.274  -6.416
  253    HA   LEU  15           HA       LEU  36   0.971  -3.886  -3.564
  254   1HB   LEU  15          2HB       LEU  36  -0.690  -2.309  -3.837
  255   2HB   LEU  15          1HB       LEU  36  -1.165  -2.944  -5.365
  256    HG   LEU  15           HG       LEU  36  -2.467  -4.669  -4.439
  257   1HD1  LEU  15          2HD1      LEU  36  -0.529  -4.519  -2.332
  258   2HD1  LEU  15          1HD1      LEU  36  -2.127  -4.324  -1.614
  259   3HD1  LEU  15          3HD1      LEU  36  -1.765  -5.752  -2.583
  260   1HD2  LEU  15          2HD2      LEU  36  -2.729  -1.960  -3.325
  261   2HD2  LEU  15          1HD2      LEU  36  -3.949  -2.993  -4.071
  262   3HD2  LEU  15          3HD2      LEU  36  -3.540  -3.201  -2.368
  263    H    TYR  16           H        TYR  37   0.151  -5.383  -6.609
  264    HA   TYR  16           HA       TYR  37  -0.907  -7.875  -5.441
  265   1HB   TYR  16          2HB       TYR  37  -1.502  -8.166  -7.629
  266   2HB   TYR  16          1HB       TYR  37  -0.793  -6.601  -7.966
  267    HD1  TYR  16           HD1      TYR  37   0.215 -10.212  -7.539
  268    HD2  TYR  16           HD2      TYR  37   1.077  -6.473  -9.490
  269    HE1  TYR  16           HE1      TYR  37   1.931 -11.319  -8.920
  270    HE2  TYR  16           HE2      TYR  37   2.781  -7.596 -10.871
  271    HH   TYR  16           HH       TYR  37   3.411 -11.087 -10.553
  272    H    LEU  17           H        LEU  38   2.080  -6.553  -6.723
  273    HA   LEU  17           HA       LEU  38   3.514  -9.075  -6.672
  274   1HB   LEU  17          2HB       LEU  38   3.763  -6.382  -7.563
  275   2HB   LEU  17          1HB       LEU  38   5.172  -6.757  -6.609
  276    HG   LEU  17           HG       LEU  38   4.153  -8.484  -8.850
  277   1HD1  LEU  17          2HD1      LEU  38   5.370  -6.146  -9.212
  278   2HD1  LEU  17          1HD1      LEU  38   6.796  -7.145  -8.924
  279   3HD1  LEU  17          3HD1      LEU  38   5.691  -7.544 -10.239
  280   1HD2  LEU  17          2HD2      LEU  38   6.185  -8.786  -6.723
  281   2HD2  LEU  17          1HD2      LEU  38   5.229 -10.012  -7.557
  282   3HD2  LEU  17          3HD2      LEU  38   6.653  -9.324  -8.337
  283    H    VAL  18           H        VAL  39   3.172  -6.213  -4.617
  284    HA   VAL  18           HA       VAL  39   5.305  -7.062  -2.904
  285    HB   VAL  18           HB       VAL  39   4.338  -4.685  -3.435
  286   1HG1  VAL  18          1HG1      VAL  39   2.624  -5.547  -1.088
  287   2HG1  VAL  18          3HG1      VAL  39   2.776  -3.891  -1.674
  288   3HG1  VAL  18          2HG1      VAL  39   2.046  -5.126  -2.699
  289   1HG2  VAL  18          3HG2      VAL  39   5.167  -5.556  -0.653
  290   2HG2  VAL  18          2HG2      VAL  39   6.238  -5.035  -1.954
  291   3HG2  VAL  18          1HG2      VAL  39   5.138  -3.880  -1.202
  292    H    CYS  19           H        CYS  40   1.858  -7.468  -3.062
  293    HA   CYS  19           HA       CYS  40   1.920  -9.357  -0.750
  294   1HB   CYS  19          2HB       CYS  40   0.641  -6.684  -0.931
  295   2HB   CYS  19          1HB       CYS  40  -0.360  -7.959  -0.241
  296    H    GLY  20           H        GLY  41   1.683 -10.309  -3.341
  297   1HA   GLY  20          2HA       GLY  41  -1.181 -10.355  -4.058
  298   2HA   GLY  20          1HA       GLY  41   0.144 -10.979  -5.037
  299    H    GLU  21           H        GLU  42  -1.212 -12.944  -5.229
  300    HA   GLU  21           HA       GLU  42  -1.944 -15.092  -4.514
  301   1HB   GLU  21          2HB       GLU  42   0.826 -14.541  -3.504
  302   2HB   GLU  21          1HB       GLU  42   0.045 -16.043  -3.012
  303   1HG   GLU  21          2HG       GLU  42  -0.348 -16.635  -5.361
  304   2HG   GLU  21          1HG       GLU  42   0.381 -15.116  -5.879
  305    H    ARG  22           H        ARG  43  -2.660 -12.713  -2.804
  306    HA   ARG  22           HA       ARG  43  -3.635 -14.211  -0.467
  307   1HB   ARG  22          2HB       ARG  43  -1.684 -13.691   0.616
  308   2HB   ARG  22          1HB       ARG  43  -1.308 -12.377  -0.492
  309   1HG   ARG  22          2HG       ARG  43  -2.905 -10.918   0.655
  310   2HG   ARG  22          1HG       ARG  43  -3.374 -12.243   1.724
  311   1HD   ARG  22          2HD       ARG  43  -1.760 -10.892   2.929
  312   2HD   ARG  22          1HD       ARG  43  -0.925 -12.376   2.432
  313    HE   ARG  22           HE       ARG  43  -0.789  -9.920   0.733
  314   1HH1  ARG  22          1HH2      ARG  43   0.605 -12.352  -0.211
  315   2HH1  ARG  22          2HH2      ARG  43   2.215 -12.132   0.389
  316   1HH2  ARG  22          2HH1      ARG  43   1.308  -9.696   2.685
  317   2HH2  ARG  22          1HH1      ARG  43   2.613 -10.626   2.026
  318    H    GLY  23           H        GLY  44  -3.964 -11.708  -2.736
  319   1HA   GLY  23          2HA       GLY  44  -5.668 -10.139  -3.065
  320   2HA   GLY  23          1HA       GLY  44  -6.540 -10.918  -1.746
  321    H    PHE  24           H        PHE  45  -6.600  -8.164  -1.965
  322    HA   PHE  24           HA       PHE  45  -5.211  -7.391   0.536
  323   1HB   PHE  24          2HB       PHE  45  -4.643  -5.192  -0.790
  324   2HB   PHE  24          1HB       PHE  45  -3.604  -6.601  -0.965
  325    HD1  PHE  24           HD1      PHE  45  -6.717  -5.129  -2.484
  326    HD2  PHE  24           HD2      PHE  45  -3.069  -7.312  -3.121
  327    HE1  PHE  24           HE1      PHE  45  -7.146  -5.136  -4.931
  328    HE2  PHE  24           HE2      PHE  45  -3.498  -7.315  -5.566
  329    HZ   PHE  24           HZ       PHE  45  -5.536  -6.228  -6.468
  330    H    PHE  25           H        PHE  46  -5.939  -4.960   0.963
  331    HA   PHE  25           HA       PHE  46  -8.907  -4.953   0.725
  332   1HB   PHE  25          2HB       PHE  46  -8.028  -4.775   2.960
  333   2HB   PHE  25          1HB       PHE  46  -6.889  -3.519   2.473
  334    HD1  PHE  25           HD1      PHE  46 -10.518  -3.953   1.659
  335    HD2  PHE  25           HD2      PHE  46  -7.530  -1.563   3.616
  336    HE1  PHE  25           HE1      PHE  46 -12.224  -2.218   2.146
  337    HE2  PHE  25           HE2      PHE  46  -9.235   0.173   4.101
  338    HZ   PHE  25           HZ       PHE  46 -11.582  -0.155   3.366
  339    H    TYR  26           H        TYR  47  -6.366  -3.754  -1.002
  340    HA   TYR  26           HA       TYR  47  -6.966  -0.980  -1.346
  341   1HB   TYR  26          2HB       TYR  47  -4.887  -1.797  -2.130
  342   2HB   TYR  26          1HB       TYR  47  -5.642  -3.145  -2.984
  343    HD1  TYR  26           HD1      TYR  47  -5.135   0.523  -2.994
  344    HD2  TYR  26           HD2      TYR  47  -6.553  -2.887  -5.184
  345    HE1  TYR  26           HE1      TYR  47  -5.330   1.915  -5.030
  346    HE2  TYR  26           HE2      TYR  47  -6.749  -1.501  -7.225
  347    HH   TYR  26           HH       TYR  47  -6.837   0.695  -7.961
  348    H    THR  27           H        THR  48  -9.199  -0.597  -1.678
  349    HA   THR  27           HA       THR  48 -10.227  -1.175  -4.374
  350    HB   THR  27           HB       THR  48 -10.917  -3.226  -3.567
  351    HG1  THR  27           HG1      THR  48 -12.950  -1.602  -2.457
  352   1HG2  THR  27          1HG2      THR  48 -10.810  -1.859  -0.918
  353   2HG2  THR  27          3HG2      THR  48 -11.812  -3.301  -1.073
  354   3HG2  THR  27          2HG2      THR  48 -10.086  -3.383  -1.426
  355    HA   PRO  28           HA       PRO  49 -11.986   2.442  -1.837
  356   1HB   PRO  28          2HB       PRO  49 -10.483   4.495  -2.823
  357   2HB   PRO  28          1HB       PRO  49 -10.027   3.569  -1.379
  358   1HG   PRO  28          2HG       PRO  49  -9.014   3.354  -4.166
  359   2HG   PRO  28          1HG       PRO  49  -8.142   3.208  -2.633
  360   1HD   PRO  28          2HD       PRO  49  -8.902   1.080  -4.162
  361   2HD   PRO  28          1HD       PRO  49  -8.653   1.004  -2.404
  362    H    LYS  29           H        LYS  50 -12.358   1.191  -4.692
  363    HA   LYS  29           HA       LYS  50 -13.686   1.713  -6.568
  364   1HB   LYS  29          2HB       LYS  50 -14.368   4.180  -4.946
  365   2HB   LYS  29          1HB       LYS  50 -15.374   3.385  -6.155
  366   1HG   LYS  29          2HG       LYS  50 -15.724   1.482  -4.758
  367   2HG   LYS  29          1HG       LYS  50 -14.447   1.975  -3.645
  368   1HD   LYS  29          2HD       LYS  50 -16.448   4.064  -3.950
  369   2HD   LYS  29          1HD       LYS  50 -17.174   2.554  -3.399
  370   1HE   LYS  29          2HE       LYS  50 -15.407   2.422  -1.610
  371   2HE   LYS  29          1HE       LYS  50 -14.859   4.037  -2.104
  372   1HZ   LYS  29          3HZ       LYS  50 -17.660   3.370  -1.371
  373   2HZ   LYS  29          2HZ       LYS  50 -16.545   4.091  -0.311
  374   3HZ   LYS  29          1HZ       LYS  50 -17.039   4.911  -1.714
  375    H    THR  30           HN       THR  51 -12.107   2.168  -8.142
  376    HA   THR  30           HA       THR  51 -10.831   3.511  -9.611
  377    HB   THR  30           HB       THR  51 -12.210   5.947  -8.585
  378    HG1  THR  30           HG1      THR  51 -14.143   5.172  -8.822
  379   1HG2  THR  30          2HG2      THR  51 -11.147   4.860 -11.071
  380   2HG2  THR  30          1HG2      THR  51 -12.779   5.498 -11.278
  381   3HG2  THR  30          3HG2      THR  51 -11.502   6.535 -10.643
   
  No H/Q in entry =         381
   
  No H/Q in entry =         381