*HEADER    CELL ADHESION                           29-OCT-02   1O7B
*TITLE     REFINED SOLUTION STRUCTURE OF THE HUMAN TSG-6 LINK MODULE
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: TUMOR NECROSIS FACTOR-INDUCIBLE PROTEIN TSG-6;
*COMPND   3 SYNONYM: HUMAN TSG-6,HYALURONATE-BINDING PROTEIN,
*COMPND   4  TNF-STIMULATED GENE 6 PROTEIN;
*COMPND   5 CHAIN: T;
*COMPND   6 FRAGMENT: LINK_MODULE, RESIDUES 36-133;
*COMPND   7 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PET;
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PRK172;
*SOURCE   8 OTHER_DETAILS: EXTRACELLULAR, INFLAMMATION-ASSOCIATED
*KEYWDS    HYALURONAN-BINDING DOMAIN, CARBOHYDRATE-BINDING DOMAIN,
*KEYWDS   2 LINK MODULE, CELL ADHESION, GLYCOPROTEIN
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    C.D.BLUNDELL,P.TERIETE,J.D.KAHMANN,A.R.PICKFORD,
*AUTHOR   2 I.D.CAMPBELL,A.J.DAY
*REVDAT   1   30-OCT-02 1O7B    0




!free Link_TSG6 hydrogen bonds

!beta-sheet 1
assign (resid 92 and name O) (resid 3 and name N) 0.0 2.4 3.3
assign (resid 92 and name O) (resid 3 and name HN) 0.0 1.7 2.3
assign (resid 90 and name O) (resid 5 and name N) 0.0 2.4 3.3
assign (resid 90 and name O) (resid 5 and name HN) 0.0 1.7 2.3
assign (resid 5 and name O) (resid 90 and name N) 0.0 2.4 3.3
assign (resid 5 and name O) (resid 90 and name HN) 0.0 1.7 2.3
assign (resid 3 and name O) (resid 92 and name N) 0.0 2.4 3.3
assign (resid 3 and name O) (resid 92 and name HN) 0.0 1.7 2.3
assign (resid 29 and name O) (resid 93 and name N) 0.0 2.4 3.3
assign (resid 29 and name O) (resid 93 and name HN) 0.0 1.7 2.3
assign (resid 93 and name O) (resid 29 and name N) 0.0 2.4 3.3
assign (resid 93 and name O) (resid 29 and name HN) 0.0 1.7 2.3
assign (resid 91 and name O) (resid 31 and name N) 0.0 2.4 3.3
assign (resid 91 and name O) (resid 31 and name HN) 0.0 1.7 2.3

!beta-sheet 2
assign (resid 58 and name O) (resid 50 and name N) 0.0 2.4 3.3
assign (resid 58 and name O) (resid 50 and name HN) 0.0 1.7 2.3
assign (resid 56 and name O) (resid 52 and name N) 0.0 2.4 3.3
assign (resid 56 and name O) (resid 52 and name HN) 0.0 1.7 2.3

!beta-sheet 3
assign (resid 14 and name O) (resid 88 and name N) 0.0 2.4 3.3
assign (resid 14 and name O) (resid 88 and name HN) 0.0 1.7 2.3
assign (resid 88 and name O) (resid 14 and name N) 0.0 2.4 3.3
assign (resid 88 and name O) (resid 14 and name HN) 0.0 1.7 2.3

!beta-sheet 1-2 link
assign (resid 49 and name O) (resid 89 and name N) 0.0 2.4 3.3
assign (resid 49 and name O) (resid 89 and name HN) 0.0 1.7 2.3
assign (resid 89 and name O) (resid 51 and name N) 0.0 2.4 3.3
assign (resid 89 and name O) (resid 51 and name HN) 0.0 1.7 2.3

!1st alpha-helix
assign (resid 15 and name O) (resid 19 and name N) 0.0 2.4 3.3
assign (resid 15 and name O) (resid 19 and name HN) 0.0 1.7 2.3
assign (resid 16 and name O) (resid 20 and name N) 0.0 2.4 3.3
assign (resid 16 and name O) (resid 20 and name HN) 0.0 1.7 2.3
assign (resid 17 and name O) (resid 21 and name N) 0.0 2.4 3.3
assign (resid 17 and name O) (resid 21 and name HN) 0.0 1.7 2.3
assign (resid 18 and name O) (resid 22 and name N) 0.0 2.4 3.3
assign (resid 18 and name O) (resid 22 and name HN) 0.0 1.7 2.3
assign (resid 19 and name O) (resid 23 and name N) 0.0 2.4 3.3
assign (resid 19 and name O) (resid 23 and name HN) 0.0 1.7 2.3
assign (resid 20 and name O) (resid 24 and name N) 0.0 2.4 3.3
assign (resid 20 and name O) (resid 24 and name HN) 0.0 1.7 2.3
assign (resid 21 and name O) (resid 25 and name N) 0.0 2.4 3.3
assign (resid 21 and name O) (resid 25 and name HN) 0.0 1.7 2.3

!2nd alpha-helix
assign (resid 32 and name O) (resid 36 and name N) 0.0 2.4 3.3
assign (resid 32 and name O) (resid 36 and name HN) 0.0 1.7 2.3
assign (resid 33 and name O) (resid 37 and name N) 0.0 2.4 3.3
assign (resid 33 and name O) (resid 37 and name HN) 0.0 1.7 2.3
assign (resid 34 and name O) (resid 38 and name N) 0.0 2.4 3.3
assign (resid 34 and name O) (resid 38 and name HN) 0.0 1.7 2.3
assign (resid 35 and name O) (resid 39 and name N) 0.0 2.4 3.3
assign (resid 35 and name O) (resid 39 and name HN) 0.0 1.7 2.3
assign (resid 36 and name O) (resid 40 and name N) 0.0 2.4 3.3
assign (resid 36 and name O) (resid 40 and name HN) 0.0 1.7 2.3
assign (resid 37 and name O) (resid 41 and name N) 0.0 2.4 3.3
assign (resid 37 and name O) (resid 41 and name HN) 0.0 1.7 2.3

!helix N-caps
assign (resid 15 and name OG1) (resid 18 and name N) 0.0 2.4 3.3
assign (resid 15 and name OG1) (resid 18 and name HN) 0.0 1.7 2.3
assign (resid 18 and name OE1) (resid 15 and name N) 0.0 2.4 3.3
assign (resid 18 and name OE1) (resid 15 and name HN) 0.0 1.7 2.3
assign (resid 32 and name OG1) (resid 35 and name N) 0.0 2.4 3.3 
assign (resid 32 and name OG1) (resid 35 and name HN) 0.0 1.7 2.3
assign (resid 35 and name OE1) (resid 32 and name N) 0.0 2.4 3.3
assign (resid 35 and name OE1) (resid 32 and name HN) 0.0 1.7 2.3

!helix C-Cap  C''->C3/C'G (Schellman motif)
assign (resid 39 and name O) (resid 44 and name N) 0.0 2.4 3.3
assign (resid 39 and name O) (resid 44 and name HN) 0.0 1.7 2.3
assign (resid 40 and name O) (resid 43 and name N) 0.0 2.4 3.3
assign (resid 40 and name O) (resid 43 and name HN) 0.0 1.7 2.3

!NOE list for Link_TSG6
assign (resid 1 and name HA1) (resid 2 and name HN) 0.0 1.8 2.7
assign (resid 1 and name HA1) (resid 94 and name HN) 0.0 1.8 5
assign (resid 1 and name HA2) (resid 2 and name HG1*) 0.0 1.8 5  
assign (resid 1 and name HA2) (resid 2 and name HN) 0.0 1.8 3.5
assign (resid 1 and name HA2) (resid 94 and name HN) 0.0 1.8 5
assign (resid 10 and name HA1) (resid 10 and name HN) 0.0 1.8 2.7
assign (resid 10 and name HA1) (resid 11 and name HN) 0.0 1.8 2.7
assign (resid 10 and name HA2) (resid 10 and name HN) 0.0 1.8 3.0
assign (resid 10 and name HA2) (resid 11 and name HN) 0.0 1.8 2.7
assign (resid 10 and name HN) (resid 8 and name HN) 0.0 1.8 5
assign (resid 10 and name HN) (resid 9 and name HN) 0.0 1.8 5
assign (resid 11 and name HA) (resid 11 and name HN) 0.0 1.8 3.5
assign (resid 11 and name HA) (resid 6 and name HB1) 0.0 1.8 5  
assign (resid 11 and name HA) (resid 6 and name HB2) 0.0 1.8 5  
assign (resid 11 and name HB1) (resid 11 and name HA) 0.0 1.8 3.5  
assign (resid 11 and name HB1) (resid 11 and name HN) 0.0 1.8 2.7
assign (resid 11 and name HB1) (resid 12 and name HD*) 0.0 1.8 5
assign (resid 11 and name HB1) (resid 12 and name HN) 0.0 1.8 5
assign (resid 11 and name HB2) (resid 11 and name HA) 0.0 1.8 2.7  
assign (resid 11 and name HB2) (resid 11 and name HN) 0.0 1.8 2.7
assign (resid 11 and name HB2) (resid 12 and name HN) 0.0 1.8 5
assign (resid 11 and name HG1) (resid 11 and name HN) 0.0 1.8 5
assign (resid 11 and name HG1) (resid 12 and name HD*) 0.0 1.8 3.5
assign (resid 11 and name HG1) (resid 12 and name HN) 0.0 1.8 5
assign (resid 11 and name HG2) (resid 11 and name HN) 0.0 1.8 5
assign (resid 11 and name HG2) (resid 12 and name HN) 0.0 1.8 5
assign (resid 11 and name HN) (resid 10 and name HN) 0.0 1.8 5
assign (resid 12 and name HA) (resid 12 and name HD*) 0.0 1.8 2.7
assign (resid 12 and name HA) (resid 12 and name HN) 0.0 1.8 2.7
assign (resid 12 and name HA) (resid 13 and name HN) 0.0 1.8 3.5
assign (resid 12 and name HA) (resid 14 and name HN) 0.0 1.8 5
assign (resid 12 and name HB1) (resid 12 and name HD*) 0.0 1.8 2.7
assign (resid 12 and name HB1) (resid 13 and name HN) 0.0 1.8 5
assign (resid 12 and name HB2) (resid 12 and name HD*) 0.0 1.8 2.7
assign (resid 12 and name HD*) (resid 12 and name HN) 0.0 1.8 3.5
assign (resid 12 and name HD*) (resid 13 and name HN) 0.0 1.8 5
assign (resid 12 and name HD*) (resid 89 and name HN) 0.0 1.8 5
assign (resid 12 and name HE*) (resid 49 and name HN) 0.0 1.8 3.5
assign (resid 12 and name HE*) (resid 89 and name HN) 0.0 1.8 5
assign (resid 12 and name HN) (resid 11 and name HA) 0.0 1.8 2.7  
assign (resid 13 and name HA) (resid 13 and name HN) 0.0 1.8 3.5
assign (resid 13 and name HA) (resid 14 and name HN) 0.0 1.8 5
assign (resid 13 and name HB1) (resid 13 and name HA) 0.0 1.8 2.7  
assign (resid 13 and name HB2) (resid 13 and name HA) 0.0 1.8 3.5  
assign (resid 13 and name HB2) (resid 13 and name HN) 0.0 1.8 4
assign (resid 13 and name HB2) (resid 13 and name HN) 0.0 1.8 5
assign (resid 13 and name HE*) (resid 11 and name HN) 0.0 1.8 5
assign (resid 13 and name HG*) (resid 10 and name HN) 0.0 1.8 5
assign (resid 13 and name HG*) (resid 11 and name HN) 0.0 1.8 5
assign (resid 13 and name HG*) (resid 13 and name HA) 0.0 1.8 3.5  
assign (resid 13 and name HG*) (resid 13 and name HN) 0.0 1.8 3.5
assign (resid 13 and name HN) (resid 12 and name HN) 0.0 1.8 5
assign (resid 13 and name HN) (resid 14 and name HN) 0.0 1.8 3.5
assign (resid 14 and name HA) (resid 14 and name HN) 0.0 1.8 5
assign (resid 14 and name HA) (resid 15 and name HN) 0.0 1.8 2.7
assign (resid 14 and name HA) (resid 19 and name HN) 0.0 1.8 5
assign (resid 14 and name HB1) (resid 14 and name HN) 0.0 1.8 3.5
assign (resid 14 and name HB2) (resid 13 and name HN) 0.0 1.8 5
assign (resid 14 and name HB2) (resid 14 and name HN) 0.0 1.8 3.5
assign (resid 14 and name HB2) (resid 15 and name HN) 0.0 1.8 5
assign (resid 14 and name HB2) (resid 19 and name HN) 0.0 1.8 5
assign (resid 14 and name HB2) (resid 88 and name HN) 0.0 1.8 5
assign (resid 14 and name HD*) (resid 10 and name HN) 0.0 1.8 5
assign (resid 14 and name HD*) (resid 14 and name HN) 0.0 1.8 5
assign (resid 14 and name HD*) (resid 51 and name HD1) 0.0 1.8 3.5
assign (resid 14 and name HD*) (resid 8 and name HN) 0.0 1.8 5
assign (resid 14 and name HD*) (resid 88 and name HN) 0.0 1.8 5
assign (resid 14 and name HD1*) (resid 15 and name HN) 0.0 1.8 5
assign (resid 14 and name HD1*) (resid 18 and name HB1) 0.0 1.8 3.5
assign (resid 14 and name HD1*) (resid 18 and name HN) 0.0 1.8 5
assign (resid 14 and name HD1*) (resid 19 and name HN) 0.0 1.8 3.5
assign (resid 14 and name HD2*) (resid 13 and name HN) 0.0 1.8 5
assign (resid 14 and name HD2*) (resid 6 and name HA) 0.0 1.8 5
assign (resid 14 and name HD2*) (resid 7 and name HN) 0.0 1.8 3.5
assign (resid 14 and name HD2*) (resid 89 and name HA) 0.0 1.8 3.5 
assign (resid 14 and name HD2*) (resid 90 and name HB*) 0.0 1.8 3.5 
assign (resid 14 and name HD2*) (resid 90 and name HN) 0.0 1.8 5
assign (resid 14 and name HG) (resid 13 and name HN) 0.0 1.8 5
assign (resid 14 and name HG) (resid 14 and name HN) 0.0 1.8 3.5
assign (resid 15 and name HA) (resid 15 and name HN) 0.0 1.8 5
assign (resid 15 and name HA) (resid 16 and name HN) 0.0 1.8 5
assign (resid 15 and name HA) (resid 18 and name HN) 0.0 1.8 5
assign (resid 15 and name HA) (resid 51 and name HE1) 0.0 1.8 3.5
assign (resid 15 and name HA) (resid 88 and name HN) 0.0 1.8 5
assign (resid 15 and name HB) (resid 16 and name HN) 0.0 1.8 3.5
assign (resid 15 and name HB) (resid 17 and name HN) 0.0 1.8 5
assign (resid 15 and name HG2*) (resid 15 and name HA) 0.0 1.8 2.7
assign (resid 15 and name HG2*) (resid 15 and name HN) 0.0 1.8 2.7
assign (resid 15 and name HG2*) (resid 85 and name HA) 0.0 1.8 3.5  
assign (resid 16 and name HA) (resid 16 and name HD*) 0.0 1.8 2.7
assign (resid 16 and name HA) (resid 16 and name HN) 0.0 1.8 5
assign (resid 16 and name HA) (resid 17 and name HN) 0.0 1.8 5
assign (resid 16 and name HA) (resid 19 and name HN) 0.0 1.8 5
assign (resid 16 and name HA) (resid 20 and name HN) 0.0 1.8 5
assign (resid 16 and name HA) (resid 51 and name HD1) 0.0 1.8 5.0 
assign (resid 16 and name HB1) (resid 16 and name HD*) 0.0 1.8 2.7
assign (resid 16 and name HB1) (resid 16 and name HN) 0.0 1.8 5
assign (resid 16 and name HB1) (resid 17 and name HN) 0.0 1.8 5
assign (resid 16 and name HB1) (resid 51 and name HE3) 0.0 1.8 5
assign (resid 16 and name HB2) (resid 16 and name HD*) 0.0 1.8 2.7
assign (resid 16 and name HB2) (resid 16 and name HN) 0.0 1.8 5
assign (resid 16 and name HB2) (resid 17 and name HN) 0.0 1.8 2.7
assign (resid 16 and name HD*) (resid 16 and name HE*) 0.0 1.8 2.7
assign (resid 16 and name HD*) (resid 17 and name HN) 0.0 1.8 5
assign (resid 16 and name HE*) (resid 54 and name HN) 0.0 1.8 5
assign (resid 16 and name HN) (resid 18 and name HN) 0.0 1.8 3.5
assign (resid 17 and name HA) (resid 17 and name HN) 0.0 1.8 5
assign (resid 17 and name HA) (resid 18 and name HN) 0.0 1.8 5
assign (resid 17 and name HA) (resid 19 and name HN) 0.0 1.8 5
assign (resid 17 and name HA) (resid 20 and name HB1) 0.0 1.8 5  
assign (resid 17 and name HB*) (resid 16 and name HD*) 0.0 1.8 3.5
assign (resid 17 and name HB*) (resid 16 and name HN) 0.0 1.8 5
assign (resid 17 and name HB*) (resid 17 and name HA) 0.0 1.8 2.7
assign (resid 17 and name HB*) (resid 17 and name HN) 0.0 1.8 2.7
assign (resid 17 and name HB*) (resid 18 and name HN) 0.0 1.8 2.7
assign (resid 17 and name HN) (resid 16 and name HN) 0.0 1.8 5
assign (resid 17 and name HN) (resid 18 and name HN) 0.0 1.8 3.5
assign (resid 18 and name HA) (resid 14 and name HD1*) 0.0 1.8 5  
assign (resid 18 and name HA) (resid 18 and name HG1) 0.0 1.8 3.5  
assign (resid 18 and name HA) (resid 18 and name HG2) 0.0 1.8 2.7  
assign (resid 18 and name HA) (resid 18 and name HN) 0.0 1.8 3
assign (resid 18 and name HA) (resid 21 and name HN) 0.0 1.8 3.5
assign (resid 18 and name HB1) (resid 15 and name HN) 0.0 1.8 3.5
assign (resid 18 and name HB1) (resid 18 and name HG1) 0.0 1.8 2.7  
assign (resid 18 and name HB1) (resid 18 and name HN) 0.0 1.8 5
assign (resid 18 and name HB1) (resid 19 and name HN) 0.0 1.8 5
assign (resid 18 and name HB2) (resid 14 and name HD1*) 0.0 1.8 3.5  
assign (resid 18 and name HB2) (resid 15 and name HN) 0.0 1.8 2.7
assign (resid 18 and name HB2) (resid 18 and name HN) 0.0 1.8 5
assign (resid 18 and name HB2) (resid 19 and name HN) 0.0 1.8 2.7
assign (resid 18 and name HG2) (resid 18 and name HN) 0.0 1.8 2.7
assign (resid 18 and name HN) (resid 15 and name HN) 0.0 1.8 5
assign (resid 19 and name HA) (resid 14 and name HD2*) 0.0 1.8 3.5  
assign (resid 19 and name HA) (resid 15 and name HN) 0.0 1.8 5
assign (resid 19 and name HA) (resid 19 and name HN) 0.0 1.8 3.5
assign (resid 19 and name HA) (resid 20 and name HN) 0.0 1.8 3.5
assign (resid 19 and name HA) (resid 22 and name HN) 0.0 1.8 4
assign (resid 19 and name HB*) (resid 16 and name HA) 0.0 1.8 3.5  
assign (resid 19 and name HB*) (resid 18 and name HN) 0.0 1.8 4
assign (resid 19 and name HB*) (resid 19 and name HN) 0.0 1.8 2.7
assign (resid 19 and name HB*) (resid 23 and name HN) 0.0 1.8 5
assign (resid 19 and name HB*) (resid 51 and name HB1) 0.0 1.8 3.5  
assign (resid 19 and name HB*) (resid 51 and name HB2) 0.0 1.8 5  
assign (resid 19 and name HB*) (resid 51 and name HD1) 0.0 1.8 2.7
assign (resid 19 and name HB*) (resid 51 and name HE1) 0.0 1.8 5
assign (resid 19 and name HB*) (resid 51 and name HN) 0.0 1.8 5
assign (resid 19 and name HB*) (resid 90 and name HB*) 0.0 1.8 3.5  
assign (resid 19 and name HN) (resid 17 and name HN) 0.0 1.8 5
assign (resid 19 and name HN) (resid 18 and name HN) 0.0 1.8 2.7
assign (resid 19 and name HN) (resid 21 and name HN) 0.0 1.8 5
assign (resid 2 and name HA) (resid 2 and name HN) 0.0 1.8 3.5
assign (resid 2 and name HA) (resid 3 and name HN) 0.0 1.8 2.7
assign (resid 2 and name HA) (resid 93 and name HD*) 0.0 1.8 3.5
assign (resid 2 and name HA) (resid 94 and name HN) 0.0 1.8 5
assign (resid 2 and name HB) (resid 1 and name HA1) 0.0 1.8 5  
assign (resid 2 and name HB) (resid 2 and name HN) 0.0 1.8 3
assign (resid 2 and name HB) (resid 3 and name HN) 0.0 1.8 5
assign (resid 2 and name HB) (resid 93 and name HA) 0.0 1.8 3.5  
assign (resid 2 and name HG1*) (resid 2 and name HN) 0.0 1.8 3.5
assign (resid 2 and name HG1*) (resid 39 and name HB*) 0.0 1.8 3.5  
assign (resid 2 and name HG1*) (resid 39 and name HN) 0.0 1.8 5
assign (resid 2 and name HG1*) (resid 44 and name HE*) 0.0 1.8 3.5
assign (resid 2 and name HG1*) (resid 93 and name HD*) 0.0 1.8 2.7
assign (resid 2 and name HG1*) (resid 93 and name HE*) 0.0 1.8 2.7
assign (resid 2 and name HG2*) (resid 2 and name HN) 0.0 1.8 5
assign (resid 2 and name HG2*) (resid 3 and name HN) 0.0 1.8 2.7
assign (resid 2 and name HG2*) (resid 44 and name HD*) 0.0 1.8 3.5
assign (resid 2 and name HG2*) (resid 44 and name HE*) 0.0 1.8 2.7
assign (resid 2 and name HG2*) (resid 91 and name HD*) 0.0 1.8 3
assign (resid 2 and name HG2*) (resid 91 and name HE*) 0.0 1.8 5
assign (resid 2 and name HG2*) (resid 92 and name HN) 0.0 1.8 5
assign (resid 2 and name HG2*) (resid 93 and name HA) 0.0 1.8 5  
assign (resid 2 and name HG2*) (resid 93 and name HD*) 0.0 1.8 3.5
assign (resid 2 and name HG2*) (resid 93 and name HE*) 0.0 1.8 5
assign (resid 20 and name HA) (resid 20 and name HN) 0.0 1.8 2.7
assign (resid 20 and name HA) (resid 21 and name HN) 0.0 1.8 5
assign (resid 20 and name HA) (resid 23 and name HN) 0.0 1.8 5
assign (resid 20 and name HA) (resid 24 and name HN) 0.0 1.8 5
assign (resid 20 and name HA) (resid 30 and name HN) 0.0 1.8 5
assign (resid 20 and name HB1) (resid 20 and name HN) 0.0 1.8 2.7
assign (resid 20 and name HB1) (resid 21 and name HN) 0.0 1.8 3.5
assign (resid 20 and name HB2) (resid 17 and name HA) 0.0 1.8 3.5  
assign (resid 20 and name HB2) (resid 20 and name HN) 0.0 1.8 2.7
assign (resid 20 and name HG2) (resid 30 and name HN) 0.0 1.8 5
assign (resid 20 and name HN) (resid 19 and name HB*) 0.0 1.8 3.5  
assign (resid 20 and name HN) (resid 19 and name HN) 0.0 1.8 3.5
assign (resid 21 and name HA) (resid 21 and name HN) 0.0 1.8 3.5
assign (resid 21 and name HA) (resid 22 and name HN) 0.0 1.8 5
assign (resid 21 and name HA) (resid 23 and name HN) 0.0 1.8 5
assign (resid 21 and name HA) (resid 24 and name HN) 0.0 1.8 3.5
assign (resid 21 and name HB*) (resid 18 and name HA) 0.0 1.8 3.5  
assign (resid 21 and name HB*) (resid 21 and name HA) 0.0 1.8 2.7
assign (resid 21 and name HB*) (resid 21 and name HN) 0.0 1.8 2.7
assign (resid 21 and name HB*) (resid 22 and name HN) 0.0 1.8 2.7
assign (resid 21 and name HB*) (resid 23 and name HN) 0.0 1.8 5
assign (resid 21 and name HN) (resid 20 and name HN) 0.0 1.8 2.7
assign (resid 21 and name HN) (resid 22 and name HN) 0.0 1.8 2.7
assign (resid 22 and name HA) (resid 21 and name HB*) 0.0 1.8 5  
assign (resid 22 and name HA) (resid 22 and name HN) 0.0 1.8 3.5
assign (resid 22 and name HA) (resid 23 and name HN) 0.0 1.8 5
assign (resid 22 and name HA) (resid 25 and name HN) 0.0 1.8 5
assign (resid 22 and name HA) (resid 26 and name HN) 0.0 1.8 5
assign (resid 22 and name HB) (resid 19 and name HA) 0.0 1.8 3.5  
assign (resid 22 and name HB) (resid 22 and name HN) 0.0 1.8 2.7
assign (resid 22 and name HB) (resid 23 and name HN) 0.0 1.8 3.5
assign (resid 22 and name HG1*) (resid 19 and name HA) 0.0 1.8 5  
assign (resid 22 and name HG1*) (resid 22 and name HA) 0.0 1.8 2.7
assign (resid 22 and name HG1*) (resid 22 and name HN) 0.0 1.8 2.7
assign (resid 22 and name HG1*) (resid 23 and name HN) 0.0 1.8 5
assign (resid 22 and name HG2*) (resid 22 and name HA) 0.0 1.8 2.7
assign (resid 22 and name HG2*) (resid 22 and name HN) 0.0 1.8 3.5
assign (resid 22 and name HG2*) (resid 23 and name HA) 0.0 1.8 5  
assign (resid 22 and name HG2*) (resid 23 and name HN) 0.0 1.8 2.7
assign (resid 22 and name HG2*) (resid 25 and name HN) 0.0 1.8 5
assign (resid 22 and name HG2*) (resid 5 and name HE) 0.0 1.8 5
assign (resid 23 and name HA) (resid 23 and name HN) 0.0 1.8 3.5
assign (resid 23 and name HB1) (resid 23 and name HN) 0.0 1.8 2.7
assign (resid 23 and name HB1) (resid 24 and name HN) 0.0 1.8 2.7
assign (resid 23 and name HB1) (resid 29 and name HN) 0.0 1.8 5
assign (resid 23 and name HB1) (resid 30 and name HN) 0.0 1.8 5
assign (resid 23 and name HB2) (resid 23 and name HN) 0.0 1.8 3.5
assign (resid 23 and name HB2) (resid 24 and name HN) 0.0 1.8 2.7
assign (resid 23 and name HB2) (resid 29 and name HN) 0.0 1.8 5
assign (resid 23 and name HB2) (resid 30 and name HN) 0.0 1.8 5
assign (resid 23 and name HN) (resid 22 and name HN) 0.0 1.8 2.7
assign (resid 24 and name HA) (resid 24 and name HN) 0.0 1.8 3
assign (resid 24 and name HA) (resid 28 and name HN) 0.0 1.8 2.7
assign (resid 24 and name HB*) (resid 24 and name HN) 0.0 1.8 2.7
assign (resid 24 and name HB*) (resid 25 and name HN) 0.0 1.8 3.5
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assign (resid 88 and name HN) (resid 14 and name HN) 0.0 1.8 3.5
assign (resid 88 and name HN) (resid 51 and name HE1) 0.0 1.8 3.5
assign (resid 88 and name HN) (resid 87 and name HA) 0.0 1.8 2.7  
assign (resid 88 and name HN) (resid 87 and name HN) 0.0 1.8 5
assign (resid 88 and name HZ2) (resid 59 and name HD*) 0.0 1.8 5
assign (resid 88 and name HZ2) (resid 59 and name HE*) 0.0 1.8 3.5
assign (resid 88 and name HZ2) (resid 88 and name HE1) 0.0 1.8 5
assign (resid 88 and name HZ3) (resid 12 and name HE*) 0.0 1.8 3.5
assign (resid 88 and name HZ3) (resid 88 and name HH2) 0.0 1.8 2.7
assign (resid 88 and name HZ3) (resid 88 and name HZ2) 0.0 1.8 5 
assign (resid 89 and name HA) (resid 14 and name HN) 0.0 1.8 5
assign (resid 89 and name HA) (resid 88 and name HN) 0.0 1.8 5
assign (resid 89 and name HA) (resid 89 and name HN) 0.0 1.8 5
assign (resid 89 and name HA) (resid 90 and name HN) 0.0 1.8 3.5
assign (resid 89 and name HB1) (resid 4 and name HD2) 0.0 1.8 5
assign (resid 89 and name HB1) (resid 50 and name HA1) 0.0 1.8 3.5  
assign (resid 89 and name HB1) (resid 89 and name HA) 0.0 1.8 3.5
assign (resid 89 and name HB1) (resid 89 and name HN) 0.0 1.8 3.5
assign (resid 89 and name HB1) (resid 90 and name HN) 0.0 1.8 3.5
assign (resid 89 and name HB2) (resid 4 and name HD2) 0.0 1.8 3.5
assign (resid 89 and name HB2) (resid 5 and name HN) 0.0 1.8 5
assign (resid 89 and name HB2) (resid 89 and name HA) 0.0 1.8 2.7
assign (resid 89 and name HB2) (resid 89 and name HN) 0.0 1.8 5
assign (resid 89 and name HB2) (resid 90 and name HN) 0.0 1.8 2.7
assign (resid 9 and name HA) (resid 10 and name HN) 0.0 1.8 3.5
assign (resid 9 and name HA) (resid 9 and name HN) 0.0 1.8 3.5
assign (resid 9 and name HB1) (resid 9 and name HN) 0.0 1.8 3.5
assign (resid 9 and name HB2) (resid 9 and name HN) 0.0 1.8 5
assign (resid 9 and name HN) (resid 8 and name HN) 0.0 1.8 5
assign (resid 90 and name HA) (resid 51 and name HD1) 0.0 1.8 5
assign (resid 90 and name HA) (resid 51 and name HN) 0.0 1.8 2.7
assign (resid 90 and name HA) (resid 90 and name HN) 0.0 1.8 5
assign (resid 90 and name HA) (resid 91 and name HN) 0.0 1.8 2.7
assign (resid 90 and name HB*) (resid 19 and name HA) 0.0 1.8 3.5  
assign (resid 90 and name HB*) (resid 19 and name HN) 0.0 1.8 5
assign (resid 90 and name HB*) (resid 23 and name HN) 0.0 1.8 5
assign (resid 90 and name HB*) (resid 5 and name HN) 0.0 1.8 5
assign (resid 90 and name HB*) (resid 51 and name HD1) 0.0 1.8 3.5
assign (resid 90 and name HB*) (resid 51 and name HN) 0.0 1.8 5
assign (resid 90 and name HB*) (resid 90 and name HN) 0.0 1.8 3.5
assign (resid 90 and name HB*) (resid 91 and name HN) 0.0 1.8 3.5
assign (resid 90 and name HB*) (resid 92 and name HN) 0.0 1.8 3.5
assign (resid 91 and name HA) (resid 44 and name HE*) 0.0 1.8 5
assign (resid 91 and name HA) (resid 5 and name HN) 0.0 1.8 5
assign (resid 91 and name HA) (resid 91 and name HD*) 0.0 1.8 3.5
assign (resid 91 and name HA) (resid 92 and name HN) 0.0 1.8 2.7
assign (resid 91 and name HB1) (resid 31 and name HN) 0.0 1.8 5
assign (resid 91 and name HB1) (resid 91 and name HA) 0.0 1.8 2.7
assign (resid 91 and name HB1) (resid 91 and name HD*) 0.0 1.8 2.7
assign (resid 91 and name HB1) (resid 91 and name HN) 0.0 1.8 5
assign (resid 91 and name HB1) (resid 92 and name HN) 0.0 1.8 5
assign (resid 91 and name HB2) (resid 31 and name HN) 0.0 1.8 5
assign (resid 91 and name HB2) (resid 91 and name HA) 0.0 1.8 3.5
assign (resid 91 and name HB2) (resid 91 and name HD*) 0.0 1.8 2.7
assign (resid 91 and name HB2) (resid 91 and name HE*) 0.0 1.8 5
assign (resid 91 and name HB2) (resid 91 and name HN) 0.0 1.8 3.5
assign (resid 91 and name HD*) (resid 50 and name HA2) 0.0 1.8 2.7  
assign (resid 91 and name HD*) (resid 50 and name HN) 0.0 1.8 5
assign (resid 91 and name HD*) (resid 91 and name HN) 0.0 1.8 5
assign (resid 91 and name HD*) (resid 92 and name HN) 0.0 1.8 5
assign (resid 91 and name HE*) (resid 4 and name HN) 0.0 1.8 5
assign (resid 91 and name HE*) (resid 44 and name HE*) 0.0 1.8 2.7
assign (resid 91 and name HE*) (resid 50 and name HA2) 0.0 1.8 3.5  
assign (resid 91 and name HE*) (resid 50 and name HN) 0.0 1.8 3.5
assign (resid 91 and name HE*) (resid 59 and name HA) 0.0 1.8 3.5  
assign (resid 91 and name HE*) (resid 91 and name HD*) 0.0 1.8 2.7
assign (resid 91 and name HN) (resid 90 and name HN) 0.0 1.8 5
assign (resid 92 and name HA) (resid 29 and name HN) 0.0 1.8 5
assign (resid 92 and name HA) (resid 3 and name HD*) 0.0 1.8 5
assign (resid 92 and name HA) (resid 31 and name HN) 0.0 1.8 3.5
assign (resid 92 and name HA) (resid 92 and name HN) 0.0 1.8 3.5
assign (resid 92 and name HA) (resid 93 and name HN) 0.0 1.8 2.7
assign (resid 92 and name HB1) (resid 3 and name HE*) 0.0 1.8 3.5 
assign (resid 92 and name HB1) (resid 92 and name HN) 0.0 1.8 3.5
assign (resid 92 and name HB1) (resid 93 and name HN) 0.0 1.8 5
assign (resid 92 and name HB2) (resid 92 and name HN) 0.0 1.8 3.5
assign (resid 92 and name HB2) (resid 93 and name HN) 0.0 1.8 3.5
assign (resid 92 and name HN) (resid 3 and name HN) 0.0 1.8 4 
assign (resid 92 and name HN) (resid 91 and name HN) 0.0 1.8 5
assign (resid 93 and name HA) (resid 2 and name HA) 0.0 1.8 2.7  
assign (resid 93 and name HA) (resid 3 and name HN) 0.0 1.8 5
assign (resid 93 and name HA) (resid 93 and name HD*) 0.0 1.8 3.5
assign (resid 93 and name HA) (resid 93 and name HN) 0.0 1.8 3.5
assign (resid 93 and name HA) (resid 94 and name HN) 0.0 1.8 2.7
assign (resid 93 and name HB1) (resid 2 and name HG2*) 0.0 1.8 3.5  
assign (resid 93 and name HB1) (resid 31 and name HA) 0.0 1.8 3.5  
assign (resid 93 and name HB1) (resid 31 and name HB*) 0.0 1.8 3.5  
assign (resid 93 and name HB1) (resid 93 and name HD*) 0.0 1.8 2.7
assign (resid 93 and name HB1) (resid 93 and name HN) 0.0 1.8 3.5
assign (resid 93 and name HB1) (resid 94 and name HN) 0.0 1.8 5
assign (resid 93 and name HB2) (resid 29 and name HN) 0.0 1.8 5
assign (resid 93 and name HB2) (resid 31 and name HA) 0.0 1.8 5  
assign (resid 93 and name HB2) (resid 31 and name HB*) 0.0 1.8 5  
assign (resid 93 and name HB2) (resid 93 and name HD*) 0.0 1.8 2.7
assign (resid 93 and name HB2) (resid 93 and name HN) 0.0 1.8 3.5
assign (resid 93 and name HD*) (resid 2 and name HN) 0.0 1.8 5
assign (resid 93 and name HD*) (resid 29 and name HN) 0.0 1.8 5
assign (resid 93 and name HD*) (resid 93 and name HN) 0.0 1.8 5
assign (resid 93 and name HD*) (resid 94 and name HN) 0.0 1.8 5
assign (resid 93 and name HD*) (resid 95 and name HA) 0.0 1.8 5 
assign (resid 93 and name HE*) (resid 1 and name HA2) 0.0 1.8 5  
assign (resid 93 and name HE*) (resid 93 and name HD*) 0.0 1.8 2.7
assign (resid 93 and name HN) (resid 29 and name HN) 0.0 1.8 5
assign (resid 93 and name HN) (resid 31 and name HN) 0.0 1.8 5
assign (resid 94 and name HB*) (resid 3 and name HE*) 0.0 1.8 2.7 
assign (resid 94 and name HB*) (resid 94 and name HD21) 0.0 1.8 5
assign (resid 94 and name HB*) (resid 94 and name HD22) 0.0 1.8 5
assign (resid 94 and name HB*) (resid 94 and name HN) 0.0 1.8 3.5
assign (resid 94 and name HB*) (resid 96 and name HN) 0.0 1.8 5
assign (resid 94 and name HB*) (resid 97 and name HN) 0.0 1.8 5
assign (resid 94 and name HD2*) (resid 28 and name HN) 0.0 1.8 3.5
assign (resid 94 and name HD22) (resid 94 and name HD21) 0.0 1.8 2.7
assign (resid 94 and name HN) (resid 93 and name HN) 0.0 1.8 5
assign (resid 95 and name HA) (resid 93 and name HE*) 0.0 1.8 5.0 
assign (resid 95 and name HA) (resid 96 and name HN) 0.0 1.8 5
assign (resid 95 and name HB1) (resid 96 and name HN) 0.0 1.8 5
assign (resid 95 and name HB2) (resid 93 and name HE*) 0.0 1.8 5.0 
assign (resid 95 and name HB2) (resid 95 and name HG2) 0.0 1.8 2.7  
assign (resid 95 and name HB2) (resid 96 and name HN) 0.0 1.8 5
assign (resid 95 and name HD1) (resid 93 and name HE*) 0.0 1.8 5.0 
assign (resid 95 and name HD1) (resid 94 and name HA) 0.0 1.8 2.7  
assign (resid 95 and name HD1) (resid 96 and name HN) 0.0 1.8 5
assign (resid 95 and name HD2) (resid 94 and name HA) 0.0 1.8 2.7  
assign (resid 95 and name HD2) (resid 96 and name HN) 0.0 1.8 3.5
assign (resid 95 and name HD2) (resid 97 and name HN) 0.0 1.8 5
assign (resid 95 and name HG1) (resid 93 and name HE*) 0.0 1.8 5.0 
assign (resid 95 and name HG1) (resid 95 and name HB2) 0.0 1.8 3.5  
assign (resid 95 and name HG1) (resid 96 and name HN) 0.0 1.8 3.5
assign (resid 95 and name HG2) (resid 93 and name HE*) 0.0 1.8 5.0 
assign (resid 95 and name HG2) (resid 95 and name HB1) 0.0 1.8 2.7  
assign (resid 95 and name HG2) (resid 96 and name HN) 0.0 1.8 5
assign (resid 96 and name HA) (resid 96 and name HN) 0.0 1.8 3.5 
assign (resid 96 and name HA) (resid 97 and name HN) 0.0 1.8 3.5
assign (resid 96 and name HB1) (resid 96 and name HA) 0.0 1.8 3.5  
assign (resid 96 and name HB1) (resid 96 and name HN) 0.0 1.8 2.7
assign (resid 96 and name HB1) (resid 97 and name HN) 0.0 1.8 5
assign (resid 96 and name HB2) (resid 96 and name HA) 0.0 1.8 2.7  
assign (resid 96 and name HB2) (resid 96 and name HN) 0.0 1.8 3.5
assign (resid 96 and name HB2) (resid 97 and name HN) 0.0 1.8 5
assign (resid 96 and name HD2) (resid 96 and name HN) 0.0 1.8 5
assign (resid 96 and name HN) (resid 94 and name HD22) 0.0 1.8 3.5
assign (resid 97 and name HA) (resid 96 and name HN) 0.0 1.8 5
assign (resid 97 and name HA) (resid 97 and name HN) 0.0 1.8 3.5
assign (resid 97 and name HA) (resid 98 and name HN) 0.0 1.8 2.7
assign (resid 97 and name HB*) (resid 3 and name HE*) 0.0 1.8 3.5 
assign (resid 97 and name HB*) (resid 93 and name HN) 0.0 1.8 5
assign (resid 97 and name HB*) (resid 94 and name HN) 0.0 1.8 5
assign (resid 97 and name HB*) (resid 96 and name HN) 0.0 1.8 5
assign (resid 97 and name HB*) (resid 97 and name HN) 0.0 1.8 2.7
assign (resid 97 and name HB*) (resid 98 and name HN) 0.0 1.8 5 
assign (resid 97 and name HN) (resid 96 and name HN) 0.0 1.8 3.5
assign (resid 98 and name HA) (resid 98 and name HN) 0.0 1.8 3.5
assign (resid 98 and name HB1) (resid 98 and name HN) 0.0 1.8 3.5
assign (resid 98 and name HB2) (resid 98 and name HN) 0.0 1.8 5
assign (resid 98 and name HG*) (resid 98 and name HN) 0.0 1.8 5
assign (resid 98 and name HN) (resid 96 and name HN) 0.0 1.8 5
assign (resid 98 and name HN) (resid 97 and name HN) 0.0 1.8 3.5



!Calpha/Cbeta 13C chemical shift restraints for Link_TSG6

  

assign  (resid  1  and name c ) (resid  2  and name n ) 

        (resid  2  and name ca) (resid  2  and name c ) 

        (resid  3  and name n )                           60.75 33.41

  

  

assign  (resid  2  and name c ) (resid  3  and name n ) 

        (resid  3  and name ca) (resid  3  and name c ) 

        (resid  4  and name n )                           56.17 40.43

  

  

assign  (resid  3  and name c ) (resid  4  and name n ) 

        (resid  4  and name ca) (resid  4  and name c ) 

        (resid  5  and name n )                          54.71 32.64

  

  

assign  (resid  4  and name c ) (resid  5  and name n ) 

        (resid  5  and name ca) (resid  5  and name c ) 

        (resid  6  and name n )                          53.31 33.99

  

  

assign  (resid  5  and name c ) (resid  6  and name n ) 

        (resid  6  and name ca) (resid  6  and name c ) 

        (resid  7  and name n )                          53.36 33.32

  

  

assign  (resid  6  and name c ) (resid  7  and name n ) 

        (resid  7  and name ca) (resid  7  and name c ) 

        (resid  8  and name n )                          52.33 20.18

  

  

assign  (resid  7  and name c ) (resid  8  and name n ) 

        (resid  8  and name ca) (resid  8  and name c ) 

        (resid  9  and name n )                          58.78 29.45

  

  

assign  (resid  8  and name c ) (resid  9  and name n ) 

        (resid  9  and name ca) (resid  9  and name c ) 

        (resid  10  and name n )                          58.19 63.07

  

  

assign  (resid  9  and name c ) (resid  10  and name n ) 

        (resid  10  and name ca) (resid  10  and name c ) 

        (resid  11  and name n )                          44.17 $noexpectation

  

  

assign  (resid  10  and name c ) (resid  11  and name n ) 

        (resid  11  and name ca) (resid  11  and name c ) 

        (resid  12  and name n )                          57.35 33.80

  

  

assign  (resid  11  and name c ) (resid  12  and name n ) 

        (resid  12  and name ca) (resid  12  and name c ) 

        (resid  13  and name n )                          54.58 32.54

  

  

assign  (resid  12  and name c ) (resid  13  and name n ) 

        (resid  13  and name ca) (resid  13  and name c ) 

        (resid  14  and name n )                          54.98 35.06

  

  

assign  (resid  13  and name c ) (resid  14  and name n ) 

        (resid  14  and name ca) (resid  14  and name c ) 

        (resid  15  and name n )                          54.95 43.65

  

  

assign  (resid  14  and name c ) (resid  15  and name n ) 

        (resid  15  and name ca) (resid  15  and name c ) 

        (resid  16  and name n )                          61.87 71.06

  

  

assign  (resid  15  and name c ) (resid  16  and name n ) 

        (resid  16  and name ca) (resid  16  and name c ) 

        (resid  17  and name n )                          61.63 36.99

  

  

assign  (resid  16  and name c ) (resid  17  and name n ) 

        (resid  17  and name ca) (resid  17  and name c ) 

        (resid  18  and name n )                          54.81 18.24

  

  

assign  (resid  17  and name c ) (resid  18  and name n ) 

        (resid  18  and name ca) (resid  18  and name c ) 

        (resid  19  and name n )                          58.52 31.09

  

  

assign  (resid  18  and name c ) (resid  19  and name n ) 

        (resid  19  and name ca) (resid  19  and name c ) 

        (resid  20  and name n )                          54.98 19.79

  

  

assign  (resid  19  and name c ) (resid  20  and name n ) 

        (resid  20  and name ca) (resid  20  and name c ) 

        (resid  21  and name n )                          60.09 33.51

  

  

assign  (resid  20  and name c ) (resid  21  and name n ) 

        (resid  21  and name ca) (resid  21  and name c ) 

        (resid  22  and name n )                          55.00 18.34

  

  

assign  (resid  21  and name c ) (resid  22  and name n ) 

        (resid  22  and name ca) (resid  22  and name c ) 

        (resid  23  and name n )                          66.31 31.09

  

  

assign  (resid  22  and name c ) (resid  23  and name n ) 

        (resid  24  and name ca) (resid  23  and name c ) 

        (resid  24  and name n )                          55.39 33.70

  

  

assign  (resid  23  and name c ) (resid  24  and name n ) 

        (resid  24  and name ca) (resid  24  and name c ) 

        (resid  25  and name n )                          58.53 28.97

  

  

assign  (resid  24  and name c ) (resid  25  and name n ) 

        (resid  25  and name ca) (resid  25  and name c ) 

        (resid  26  and name n )                          60.90 39.02

  

  

assign  (resid  25  and name c ) (resid  26  and name n ) 

        (resid  26  and name ca) (resid  26  and name c ) 

        (resid  27  and name n )                          56.40 29.55

  

  

assign  (resid  26  and name c ) (resid  27  and name n ) 

        (resid  27  and name ca) (resid  27  and name c ) 

        (resid  28  and name n )                          45.53 $noexpectation

  

  

assign  (resid  27  and name c ) (resid  28  and name n ) 

        (resid  28  and name ca) (resid  28  and name c ) 

        (resid  29  and name n )                          43.89 $noexpectation

  

  

assign  (resid  28  and name c ) (resid  29  and name n ) 

        (resid  29  and name ca) (resid  29  and name c ) 

        (resid  30  and name n )                          54.47 33.80

  

  

assign  (resid  29  and name c ) (resid  30  and name n ) 

        (resid  30  and name ca) (resid  30  and name c ) 

        (resid  31  and name n )                          56.84 42.78

  

  

assign  (resid  30  and name c ) (resid  31  and name n ) 

        (resid  31  and name ca) (resid  31  and name c ) 

        (resid  32  and name n )                          52.01 19.69

  

  

assign  (resid  31  and name c ) (resid  32  and name n ) 

        (resid  32  and name ca) (resid  32  and name c ) 

        (resid  33  and name n )                          59.98 71.29

  

  

assign  (resid  32  and name c ) (resid  33  and name n ) 

        (resid  33  and name ca) (resid  33  and name c ) 

        (resid  34  and name n )                          62.44 38.82

  

  

assign  (resid  33  and name c ) (resid  34  and name n ) 

        (resid  34  and name ca) (resid  34  and name c ) 

        (resid  35  and name n )                          59.93 32.82

  

  

assign  (resid  34  and name c ) (resid  35  and name n ) 

        (resid  35  and name ca) (resid  35  and name c ) 

        (resid  36  and name n )                          58.53 26.95

  

  

assign  (resid  35  and name c ) (resid  36  and name n ) 

        (resid  36  and name ca) (resid  36  and name c ) 

        (resid  37  and name n )                          58.29 41.91

  

  

assign  (resid  36  and name c ) (resid  37  and name n ) 

        (resid  37  and name ca) (resid  37  and name c ) 

        (resid  38  and name n )                          58.07 28.29

  

  

assign  (resid  37  and name c ) (resid  38  and name n ) 

        (resid  38  and name ca) (resid  38  and name c ) 

        (resid  39  and name n )                          54.98 18.05

  

  

assign  (resid  38  and name c ) (resid  39  and name n ) 

        (resid  39  and name ca) (resid  39  and name c ) 

        (resid  40  and name n )                          54.15 18.05

  

  

assign  (resid  39  and name c ) (resid  40  and name n ) 

        (resid  40  and name ca) (resid  40  and name c ) 

        (resid  41  and name n )                          58.72 30.80

  

  

assign  (resid  40  and name c ) (resid  41  and name n ) 

        (resid  41  and name ca) (resid  41  and name c ) 

        (resid  42  and name n )                          59.49 32.83

  

  

assign  (resid  41  and name c ) (resid  42  and name n ) 

        (resid  42  and name ca) (resid  42  and name c ) 

        (resid  43  and name n )                          60.84 37.95

  

  

assign  (resid  42  and name c ) (resid  43  and name n ) 

        (resid  43  and name ca) (resid  43  and name c ) 

        (resid  44  and name n )                          45.73 $noexpectation

  

  

assign  (resid  43  and name c ) (resid  44  and name n ) 

        (resid  44  and name ca) (resid  44  and name c ) 

        (resid  45  and name n )                          59.33 40.18

  

  

assign  (resid  44  and name c ) (resid  45  and name n ) 

        (resid  45  and name ca) (resid  45  and name c ) 

        (resid  46  and name n )                          55.35 34.67

  

  

assign  (resid  45  and name c ) (resid  46  and name n ) 

        (resid  46  and name ca) (resid  46  and name c ) 

        (resid  47  and name n )                          61.65 35.34

  

  

assign  (resid  46  and name c ) (resid  47  and name n ) 

        (resid  47  and name ca) (resid  47  and name c ) 

        (resid  48  and name n )                          55.54 45.11

  

  

assign  (resid  47  and name c ) (resid  48  and name n ) 

        (resid  48  and name ca) (resid  48  and name c ) 

        (resid  49  and name n )                          51.65 20.18

  

  

assign  (resid  48  and name c ) (resid  49  and name n ) 

        (resid  49  and name ca) (resid  49  and name c ) 

        (resid  50  and name n )                          52.92 18.82

  

  

assign  (resid  49  and name c ) (resid  50  and name n ) 

        (resid  50  and name ca) (resid  50  and name c ) 

        (resid  51  and name n )                          43.81 $noexpectation

  

  

assign  (resid  50  and name c ) (resid  51  and name n ) 

        (resid  51  and name ca) (resid  51  and name c ) 

        (resid  52  and name n )                          58.82 32.25

  

  

assign  (resid  51  and name c ) (resid  52  and name n ) 

        (resid  52  and name ca) (resid  52  and name c ) 

        (resid  53  and name n )                          54.46 39.40

  

  

assign  (resid  52  and name c ) (resid  53  and name n ) 

        (resid  53  and name ca) (resid  53  and name c ) 

        (resid  54  and name n )                          53.87 19.60

  

  

assign  (resid  53  and name c ) (resid  54  and name n ) 

        (resid  54  and name ca) (resid  54  and name c ) 

        (resid  55  and name n )                          57.72 29.93

  

  

assign  (resid  54  and name c ) (resid  55  and name n ) 

        (resid  55  and name ca) (resid  55  and name c ) 

        (resid  56  and name n )                          45.99 $noexpectation

  

  

assign  (resid  55  and name c ) (resid  56  and name n ) 

        (resid  56  and name ca) (resid  56  and name c ) 

        (resid  57  and name n )                          55.02 32.24

  

  

assign  (resid  56  and name c ) (resid  57  and name n ) 

        (resid  57  and name ca) (resid  57  and name c ) 

        (resid  58  and name n )                          60.05 35.54

  

  

assign  (resid  57  and name c ) (resid  58  and name n ) 

        (resid  58  and name ca) (resid  58  and name c ) 

        (resid  59  and name n )                          46.22 $noexpectation

  

  

assign  (resid  58  and name c ) (resid  59  and name n ) 

        (resid  59  and name ca) (resid  59  and name c ) 

        (resid  60  and name n )                          55.37 36.34

  

  

assign  (resid  60  and name c ) (resid  61  and name n ) 

        (resid  61  and name ca) (resid  61  and name c ) 

        (resid  62  and name n )                          61.15 39.58

  

  

assign  (resid  61  and name c ) (resid  62  and name n ) 

        (resid  62  and name ca) (resid  62  and name c ) 

        (resid  63  and name n )                          64.60 33.91

  

  

assign  (resid  62  and name c ) (resid  63  and name n ) 

        (resid  63  and name ca) (resid  63  and name c ) 

        (resid  64  and name n )                          52.75 33.90

  

  

assign  (resid  63  and name c ) (resid  64  and name n ) 

        (resid  64  and name ca) (resid  64  and name c ) 

        (resid  65  and name n )                          62.39 32.74

  

  

assign  (resid  64  and name c ) (resid  65  and name n ) 

        (resid  65  and name ca) (resid  65  and name c ) 

        (resid  65  and name n )                          45.64 $noexpectation

  
 
  

assign  (resid  65  and name c ) (resid  66  and name n ) 

        (resid  66  and name ca) (resid  66  and name c ) 

        (resid  67  and name n )                          64.50 32.16

  

  

assign  (resid  66  and name c ) (resid  67  and name n ) 

        (resid  67  and name ca) (resid  67  and name c ) 

        (resid  68  and name n )                          54.05 38.53

  

  

assign  (resid  67  and name c ) (resid  68  and name n ) 

        (resid  68  and name ca) (resid  68  and name c ) 

        (resid  69  and name n )                          56.29 45.08

  

  

assign  (resid  68  and name c ) (resid  69  and name n ) 

        (resid  69  and name ca) (resid  69  and name c ) 

        (resid  70  and name n )                          46.07 $noexpectation

  

  

assign  (resid  69  and name c ) (resid  70  and name n ) 

        (resid  70  and name ca) (resid  70  and name c ) 

        (resid  71  and name n )                          58.48 37.95

  
  
  

assign  (resid  70  and name c ) (resid  71  and name n ) 

        (resid  71  and name ca) (resid  71  and name c ) 

        (resid  72  and name n )                          45.63 $noexpectation

  

  

assign  (resid  71  and name c ) (resid  72  and name n ) 

        (resid  72  and name ca) (resid  72  and name c ) 

        (resid  73  and name n )                          55.41 34.19

  

  

assign  (resid  72  and name c ) (resid  73  and name n ) 

        (resid  73  and name ca) (resid  73  and name c ) 

        (resid  74  and name n )                          60.92 70.84

  

  

assign  (resid  73  and name c ) (resid  74  and name n ) 

        (resid  74  and name ca) (resid  74  and name c ) 

        (resid  75  and name n )                          43.74 $noexpectation

  

  

assign  (resid  74  and name c ) (resid  75  and name n ) 

        (resid  75  and name ca) (resid  75  and name c ) 

        (resid  76  and name n )                          60.16 36.89

  

  

assign  (resid  75  and name c ) (resid  76  and name n ) 

        (resid  76  and name ca) (resid  76  and name c ) 

        (resid  77  and name n )                          59.25 33.61

  

  

assign  (resid  76  and name c ) (resid  77  and name n ) 

        (resid  77  and name ca) (resid  77  and name c ) 

        (resid  78  and name n )                          53.16 44.04

  

  

assign  (resid  77  and name c ) (resid  78  and name n ) 

        (resid  78  and name ca) (resid  78  and name c ) 

        (resid  79  and name n )                          55.33 36.60

  

  

assign  (resid  78  and name c ) (resid  79  and name n ) 

        (resid  79  and name ca) (resid  79  and name c ) 

        (resid  80  and name n )                          44.53 $noexpectation

  

  

assign  (resid  79  and name c ) (resid  80  and name n ) 

        (resid  80  and name ca) (resid  80  and name c ) 

        (resid  81  and name n )                          61.35 36.60

  
  
  

assign  (resid  80  and name c ) (resid  81  and name n ) 

        (resid  81  and name ca) (resid  81  and name c ) 

        (resid  82  and name n )                          52.92 30.10

  

  

assign  (resid  81  and name c ) (resid  82  and name n ) 

        (resid  82  and name ca) (resid  82  and name c ) 

        (resid  83  and name n )                          56.90 42.30

  

  

assign  (resid  82  and name c ) (resid  83  and name n ) 

        (resid  83  and name ca) (resid  83  and name c ) 

        (resid  84  and name n )                          51.77 37.66

  

  

assign  (resid  83  and name c ) (resid  84  and name n ) 

        (resid  84  and name ca) (resid  84  and name c ) 

        (resid  85  and name n )                          56.72 29.45

  

  

assign  (resid  84  and name c ) (resid  85  and name n ) 

        (resid  85  and name ca) (resid  85  and name c ) 

        (resid  86  and name n )                          58.94 63.17

  

  

assign  (resid  85  and name c ) (resid  86  and name n ) 

        (resid  86  and name ca) (resid  86  and name c ) 

        (resid  87  and name n )                          57.44 31.48

  

  

assign  (resid  86  and name c ) (resid  87  and name n ) 

        (resid  87  and name ca) (resid  87  and name c ) 

        (resid  88  and name n )                          54.54 31.77

  

  

assign  (resid  87  and name c ) (resid  88  and name n ) 

        (resid  88  and name ca) (resid  88  and name c ) 

        (resid  89  and name n )                          54.70 33.51

  

  

assign  (resid  88  and name c ) (resid  89  and name n ) 

        (resid  89  and name ca) (resid  89  and name c ) 

        (resid  80  and name n )                          54.79 40.66

  

  

assign  (resid  89  and name c ) (resid  90  and name n ) 

        (resid  90  and name ca) (resid  90  and name c ) 

        (resid  91  and name n )                          52.17 23.27

  

  

assign  (resid  90  and name c ) (resid  91  and name n ) 

        (resid  91  and name ca) (resid  91  and name c ) 

        (resid  92  and name n )                          58.73 40.66

  

  

assign  (resid  91  and name c ) (resid  92  and name n ) 

        (resid  92  and name ca) (resid  92  and name c ) 

        (resid  93  and name n )                          50.62 37.86

  

  

assign  (resid  92  and name c ) (resid  93  and name n ) 

        (resid  93  and name ca) (resid  93  and name c ) 

        (resid  94  and name n )                          57.20 41.82

  

  

assign  (resid  93  and name c ) (resid  94  and name n ) 

        (resid  94  and name ca) (resid  94  and name c ) 

        (resid  95  and name n )                          49.65 $noexpectation

  

  

assign  (resid  94  and name c ) (resid  95  and name n ) 

        (resid  95  and name ca) (resid  95  and name c ) 

        (resid  96  and name n )                          64.03 32.16

  

  

assign  (resid  95  and name c ) (resid  96  and name n ) 

        (resid  96  and name ca) (resid  96  and name c ) 

        (resid  97  and name n )                          55.33 29.45

  

  

assign  (resid  96  and name c ) (resid  97  and name n ) 

        (resid  97  and name ca) (resid  97  and name c ) 

        (resid  98  and name n )                          51.97 19.69

  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1HA   GLY   1          2HA       GLY   1 -10.632   2.369   7.748
    2   2HA   GLY   1          1HA       GLY   1  -9.231   2.063   8.763
    3    H1   GLY   1          2H        GLY   1  -9.103   4.731   8.357
    4    H2   GLY   1          1H        GLY   1 -10.771   4.467   8.447
    5    H3   GLY   1          3H        GLY   1  -9.766   3.984   9.721
    6    H    VAL   2           H        VAL   2  -7.549   1.421   7.607
    7    HA   VAL   2           HA       VAL   2  -6.725   2.952   5.284
    8    HB   VAL   2           HB       VAL   2  -4.897   2.459   6.638
    9   1HG1  VAL   2          2HG1      VAL   2  -6.396   0.059   7.259
   10   2HG1  VAL   2          1HG1      VAL   2  -4.684  -0.276   7.005
   11   3HG1  VAL   2          3HG1      VAL   2  -5.180   0.910   8.212
   12   1HG2  VAL   2          1HG2      VAL   2  -4.955   1.469   4.089
   13   2HG2  VAL   2          3HG2      VAL   2  -3.511   1.619   5.091
   14   3HG2  VAL   2          2HG2      VAL   2  -4.376   0.084   5.016
   15   1HB   TYR   3          2HB       TYR   3  -9.145   0.482   0.815
   16   2HB   TYR   3          1HB       TYR   3  -9.721   0.634   2.469
   17    H    TYR   3           H        TYR   3  -6.879   2.320   3.213
   18    HA   TYR   3           HA       TYR   3  -7.642  -0.457   2.651
   19    HD1  TYR   3           HD1      TYR   3  -8.378   2.994   3.480
   20    HD2  TYR   3           HD2      TYR   3  -9.963   2.260  -0.398
   21    HE1  TYR   3           HE1      TYR   3  -8.689   5.412   3.157
   22    HE2  TYR   3           HE2      TYR   3 -10.272   4.676  -0.735
   23    HH   TYR   3           HH       TYR   3 -10.115   6.698   0.169
   24   1HB   HIS   4          2HB       HIS   4  -4.272  -1.841  -0.884
   25   2HB   HIS   4          1HB       HIS   4  -5.882  -2.455  -0.520
   26    H    HIS   4           H        HIS   4  -7.457  -0.940   0.255
   27    HA   HIS   4           HA       HIS   4  -4.971   0.281  -0.736
   28    HD1  HIS   4           HD1      HIS   4  -7.438  -2.974  -2.561
   29    HD2  HIS   4           HD2      HIS   4  -3.545  -1.917  -3.558
   30    HE1  HIS   4           HE1      HIS   4  -7.161  -3.628  -4.973
   31    HE2  HIS   4           HE2      HIS   4  -4.778  -3.034  -5.538
   32   1HB   ARG   5          2HB       ARG   5  -6.181   3.462  -3.473
   33   2HB   ARG   5          1HB       ARG   5  -7.121   3.321  -4.951
   34   1HG   ARG   5          2HG       ARG   5  -8.030   2.231  -2.299
   35   2HG   ARG   5          1HG       ARG   5  -8.434   3.846  -2.886
   36   1HD   ARG   5          2HD       ARG   5  -9.121   2.333  -5.027
   37   2HD   ARG   5          1HD       ARG   5  -9.467   1.217  -3.707
   38   1HH1  ARG   5          2HH1      ARG   5 -10.835   0.546  -3.067
   39   2HH1  ARG   5          1HH1      ARG   5 -12.476   0.648  -2.519
   40   1HH2  ARG   5          2HH2      ARG   5 -12.795   4.063  -3.199
   41   2HH2  ARG   5          1HH2      ARG   5 -13.589   2.648  -2.595
   42    H    ARG   5           H        ARG   5  -4.852   1.140  -2.748
   43    HA   ARG   5           HA       ARG   5  -7.084   0.811  -4.594
   44    HE   ARG   5           HE       ARG   5 -10.635   3.918  -3.919
   45   1HB   GLU   6          2HB       GLU   6  -4.202   0.490  -9.412
   46   2HB   GLU   6          1HB       GLU   6  -5.280  -0.314  -8.282
   47   1HG   GLU   6          2HG       GLU   6  -5.962   1.852 -10.247
   48   2HG   GLU   6          1HG       GLU   6  -6.527   0.182 -10.233
   49    H    GLU   6           H        GLU   6  -6.594   1.521  -6.763
   50    HA   GLU   6           HA       GLU   6  -3.711   1.428  -7.304
   51    H    ALA   7           H        ALA   7  -3.608   2.395  -9.837
   52    HA   ALA   7           HA       ALA   7  -3.512   5.182  -9.430
   53   1HB   ALA   7          3HB       ALA   7  -3.581   4.363 -12.229
   54   2HB   ALA   7          1HB       ALA   7  -2.437   3.441 -11.253
   55   3HB   ALA   7          2HB       ALA   7  -2.322   5.200 -11.321
   56   1HB   ARG   8          2HB       ARG   8  -5.419   7.309 -13.520
   57   2HB   ARG   8          1HB       ARG   8  -7.131   7.705 -13.599
   58   1HG   ARG   8          2HG       ARG   8  -6.853   9.398 -11.895
   59   2HG   ARG   8          1HG       ARG   8  -5.154   8.961 -11.707
   60   1HD   ARG   8          2HD       ARG   8  -4.774   9.583 -14.071
   61   2HD   ARG   8          1HD       ARG   8  -6.453  10.112 -14.172
   62   1HH1  ARG   8          2HH1      ARG   8  -3.629  10.616 -14.805
   63   2HH1  ARG   8          1HH1      ARG   8  -2.636  12.034 -14.742
   64   1HH2  ARG   8          1HH2      ARG   8  -4.471  13.558 -12.186
   65   2HH2  ARG   8          2HH2      ARG   8  -3.115  13.707 -13.254
   66    H    ARG   8           H        ARG   8  -4.466   6.438 -11.621
   67    HA   ARG   8           HA       ARG   8  -7.058   7.087 -11.031
   68    HE   ARG   8           HE       ARG   8  -5.771  11.685 -12.277
   69   1HB   SER   9          2HB       SER   9  -7.973   4.772 -15.093
   70   2HB   SER   9          1HB       SER   9  -7.935   3.091 -15.627
   71    H    SER   9           H        SER   9  -5.897   4.437 -12.984
   72    HA   SER   9           HA       SER   9  -8.412   3.095 -12.820
   73    HG   SER   9           HG       SER   9 -10.061   4.365 -15.364
   74   1HA   GLY  10          2HA       GLY  10  -3.652   1.657 -14.533
   75   2HA   GLY  10          1HA       GLY  10  -4.978   0.515 -14.485
   76    H    GLY  10           H        GLY  10  -5.100   3.288 -13.650
   77   1HB   LYS  11          2HB       LYS  11  -4.619  -2.386 -11.555
   78   2HB   LYS  11          1HB       LYS  11  -3.123  -3.187 -12.015
   79   1HG   LYS  11          2HG       LYS  11  -2.399  -2.956  -9.609
   80   2HG   LYS  11          1HG       LYS  11  -4.056  -2.461  -9.253
   81   1HD   LYS  11          2HD       LYS  11  -3.992  -4.868 -10.854
   82   2HD   LYS  11          1HD       LYS  11  -3.073  -5.063  -9.360
   83   1HE   LYS  11          2HE       LYS  11  -5.697  -3.741  -9.107
   84   2HE   LYS  11          1HE       LYS  11  -5.729  -5.449  -9.542
   85    H    LYS  11           H        LYS  11  -3.421  -0.936 -13.550
   86    HA   LYS  11           HA       LYS  11  -3.113  -0.505 -10.656
   87   1HZ   LYS  11          2HZ       LYS  11  -3.959  -5.467  -7.553
   88   2HZ   LYS  11          1HZ       LYS  11  -4.946  -4.188  -7.052
   89   3HZ   LYS  11          3HZ       LYS  11  -5.616  -5.716  -7.330
   90   1HB   TYR  12          2HB       TYR  12   0.299  -3.420 -11.491
   91   2HB   TYR  12          1HB       TYR  12   2.009  -3.008 -11.430
   92    H    TYR  12           H        TYR  12  -1.212  -1.370  -9.642
   93    HA   TYR  12           HA       TYR  12   1.065  -1.419  -9.452
   94    HD1  TYR  12           HD1      TYR  12   0.598  -2.569  -8.229
   95    HD2  TYR  12           HD2      TYR  12   1.986  -5.578 -10.897
   96    HE1  TYR  12           HE1      TYR  12   0.906  -4.102  -6.331
   97    HE2  TYR  12           HE2      TYR  12   2.294  -7.120  -9.009
   98    HH   TYR  12           HH       TYR  12   2.204  -6.098  -5.768
   99   1HB   LYS  13          2HB       LYS  13   1.665   2.634 -13.799
  100   2HB   LYS  13          1HB       LYS  13   1.659   0.876 -13.825
  101   1HG   LYS  13          2HG       LYS  13  -0.550   0.789 -13.619
  102   2HG   LYS  13          1HG       LYS  13  -0.547   1.940 -12.281
  103   1HD   LYS  13          2HD       LYS  13  -1.691   3.179 -13.811
  104   2HD   LYS  13          1HD       LYS  13  -0.048   3.646 -14.253
  105   1HE   LYS  13          2HE       LYS  13  -0.470   1.344 -15.710
  106   2HE   LYS  13          1HE       LYS  13  -2.036   2.152 -15.765
  107    H    LYS  13           H        LYS  13   0.804   0.939 -10.275
  108    HA   LYS  13           HA       LYS  13   2.989   1.494 -11.965
  109   1HZ   LYS  13          3HZ       LYS  13  -0.363   4.183 -16.258
  110   2HZ   LYS  13          2HZ       LYS  13   0.471   2.906 -16.990
  111   3HZ   LYS  13          1HZ       LYS  13  -1.114   3.259 -17.460
  112   1HB   LEU  14          2HB       LEU  14   0.611   3.199  -7.705
  113   2HB   LEU  14          1HB       LEU  14   0.841   4.874  -7.257
  114    H    LEU  14           H        LEU  14   1.900   2.270  -9.407
  115    HA   LEU  14           HA       LEU  14   1.374   5.132  -9.838
  116    HG   LEU  14           HG       LEU  14  -1.135   3.822  -9.280
  117   1HD1  LEU  14          1HD1      LEU  14  -1.241   4.132  -6.457
  118   2HD1  LEU  14          3HD1      LEU  14  -2.310   5.330  -7.190
  119   3HD1  LEU  14          2HD1      LEU  14  -2.518   3.618  -7.561
  120   1HD2  LEU  14          1HD2      LEU  14   0.074   6.251  -9.404
  121   2HD2  LEU  14          3HD2      LEU  14  -1.555   5.909  -9.988
  122   3HD2  LEU  14          2HD2      LEU  14  -1.322   6.609  -8.387
  123    H    THR  15           H        THR  15   2.493   6.676  -8.590
  124    HA   THR  15           HA       THR  15   5.111   5.738  -7.629
  125    HB   THR  15           HB       THR  15   5.957   7.969  -8.015
  126    HG1  THR  15           HG1      THR  15   4.635   9.614  -8.099
  127   1HG2  THR  15          1HG2      THR  15   5.302   6.240  -9.987
  128   2HG2  THR  15          3HG2      THR  15   4.430   7.677 -10.521
  129   3HG2  THR  15          2HG2      THR  15   6.172   7.751 -10.257
  130   1HB   TYR  16          2HB       TYR  16   6.730   7.928  -3.711
  131   2HB   TYR  16          1HB       TYR  16   6.518   9.563  -4.329
  132    H    TYR  16           H        TYR  16   5.722   8.155  -6.219
  133    HA   TYR  16           HA       TYR  16   4.299   7.586  -3.763
  134    HD1  TYR  16           HD1      TYR  16   5.275   7.437  -1.514
  135    HD2  TYR  16           HD2      TYR  16   6.565  11.284  -2.798
  136    HE1  TYR  16           HE1      TYR  16   5.059   8.268   0.786
  137    HE2  TYR  16           HE2      TYR  16   6.352  12.127  -0.497
  138    HH   TYR  16           HH       TYR  16   4.885  11.389   1.607
  139    H    ALA  17           H        ALA  17   4.971  10.508  -5.680
  140    HA   ALA  17           HA       ALA  17   3.171  12.176  -4.292
  141   1HB   ALA  17          2HB       ALA  17   5.042  12.964  -5.718
  142   2HB   ALA  17          1HB       ALA  17   4.117  12.468  -7.137
  143   3HB   ALA  17          3HB       ALA  17   3.503  13.744  -6.085
  144   1HB   GLU  18          2HB       GLU  18   1.776   8.378  -8.301
  145   2HB   GLU  18          1HB       GLU  18   0.133   8.581  -8.891
  146   1HG   GLU  18          2HG       GLU  18   0.730  10.338 -10.305
  147   2HG   GLU  18          1HG       GLU  18   2.257  10.612  -9.467
  148    H    GLU  18           H        GLU  18   2.776   9.928  -6.919
  149    HA   GLU  18           HA       GLU  18   0.209  10.890  -7.753
  150    H    ALA  19           H        ALA  19   1.244   7.921  -6.084
  151    HA   ALA  19           HA       ALA  19  -1.209   6.888  -5.412
  152   1HB   ALA  19          1HB       ALA  19   0.276   5.386  -4.689
  153   2HB   ALA  19          2HB       ALA  19   0.334   6.326  -3.198
  154   3HB   ALA  19          3HB       ALA  19   1.525   6.614  -4.469
  155   1HB   LYS  20          2HB       LYS  20   1.350  10.604  -1.965
  156   2HB   LYS  20          1HB       LYS  20   0.482  11.936  -2.708
  157   1HG   LYS  20          2HG       LYS  20  -0.106  12.813  -0.736
  158   2HG   LYS  20          1HG       LYS  20  -0.478  11.236  -0.036
  159   1HD   LYS  20          2HD       LYS  20   2.004  10.853   0.147
  160   2HD   LYS  20          1HD       LYS  20   2.221  12.547  -0.297
  161   1HE   LYS  20          2HE       LYS  20   1.843  13.182   1.795
  162   2HE   LYS  20          1HE       LYS  20   0.282  12.364   1.792
  163    H    LYS  20           H        LYS  20   0.629   9.399  -3.751
  164    HA   LYS  20           HA       LYS  20  -0.991   9.628  -1.482
  165   1HZ   LYS  20          3HZ       LYS  20   2.529  10.586   2.078
  166   2HZ   LYS  20          2HZ       LYS  20   2.378  11.693   3.349
  167   3HZ   LYS  20          1HZ       LYS  20   1.090  10.664   2.966
  168    H    ALA  21           H        ALA  21  -0.950  11.486  -4.507
  169    HA   ALA  21           HA       ALA  21  -3.088  13.195  -3.909
  170   1HB   ALA  21          1HB       ALA  21  -3.251  13.531  -6.355
  171   2HB   ALA  21          2HB       ALA  21  -2.124  12.193  -6.586
  172   3HB   ALA  21          3HB       ALA  21  -1.598  13.656  -5.752
  173    H    VAL  22           H        VAL  22  -3.030  10.056  -5.553
  174    HA   VAL  22           HA       VAL  22  -5.703   9.852  -6.263
  175    HB   VAL  22           HB       VAL  22  -3.502   7.954  -5.756
  176   1HG1  VAL  22          3HG1      VAL  22  -5.246   6.963  -4.384
  177   2HG1  VAL  22          2HG1      VAL  22  -6.369   7.033  -5.742
  178   3HG1  VAL  22          1HG1      VAL  22  -4.948   5.989  -5.824
  179   1HG2  VAL  22          2HG2      VAL  22  -3.989   8.849  -7.971
  180   2HG2  VAL  22          1HG2      VAL  22  -4.198   7.098  -7.932
  181   3HG2  VAL  22          3HG2      VAL  22  -5.610   8.155  -7.902
  182   1HB   CYS  23          2HB       CYS  23  -3.682   9.312  -1.112
  183   2HB   CYS  23          1HB       CYS  23  -4.896   9.230   0.159
  184    H    CYS  23           H        CYS  23  -4.110   9.272  -3.198
  185    HA   CYS  23           HA       CYS  23  -6.260   8.046  -1.846
  186   1HB   GLU  24          2HB       GLU  24  -5.126  13.651  -1.989
  187   2HB   GLU  24          1HB       GLU  24  -6.328  14.630  -1.163
  188   1HG   GLU  24          2HG       GLU  24  -5.263  14.517   0.816
  189   2HG   GLU  24          1HG       GLU  24  -4.717  12.861   0.552
  190    H    GLU  24           H        GLU  24  -5.001  11.354  -1.604
  191    HA   GLU  24           HA       GLU  24  -7.049  12.414  -0.041
  192   1HB   PHE  25          2HB       PHE  25  -7.535  12.798  -5.727
  193   2HB   PHE  25          1HB       PHE  25  -7.933  11.085  -5.646
  194    H    PHE  25           H        PHE  25  -7.034  11.586  -3.377
  195    HA   PHE  25           HA       PHE  25  -9.283  13.278  -4.057
  196    HD1  PHE  25           HD1      PHE  25  -9.291  14.406  -6.555
  197    HD2  PHE  25           HD2      PHE  25  -9.650  10.184  -6.951
  198    HE1  PHE  25           HE1      PHE  25 -10.975  14.719  -8.322
  199    HE2  PHE  25           HE2      PHE  25 -11.335  10.489  -8.718
  200    HZ   PHE  25           HZ       PHE  25 -11.999  12.758  -9.406
  201   1HB   GLU  26          2HB       GLU  26  -8.960   7.769  -2.788
  202   2HB   GLU  26          1HB       GLU  26 -10.536   7.014  -2.617
  203   1HG   GLU  26          2HG       GLU  26 -10.531   8.061  -5.191
  204   2HG   GLU  26          1HG       GLU  26  -8.919   7.382  -4.970
  205    H    GLU  26           H        GLU  26  -8.709  10.051  -2.961
  206    HA   GLU  26           HA       GLU  26 -11.455   9.244  -3.567
  207   1HA   GLY  27          1HA       GLY  27 -12.151  10.173   0.695
  208   2HA   GLY  27          2HA       GLY  27 -11.118  11.594   0.787
  209    H    GLY  27           H        GLY  27 -10.249  11.044  -1.292
  210   1HA   GLY  28          2HA       GLY  28  -8.103   8.567   2.393
  211   2HA   GLY  28          1HA       GLY  28  -8.206   9.942   3.485
  212    H    GLY  28           H        GLY  28  -8.717  11.034   1.045
  213   1HB   HIS  29          2HB       HIS  29  -2.822  10.383   3.907
  214   2HB   HIS  29          1HB       HIS  29  -3.445  11.618   2.817
  215    H    HIS  29           H        HIS  29  -5.846   8.661   3.355
  216    HA   HIS  29           HA       HIS  29  -4.127  10.000   1.433
  217    HD1  HIS  29           HD1      HIS  29  -4.478   9.595   5.837
  218    HD2  HIS  29           HD2      HIS  29  -5.626  13.000   3.749
  219    HE1  HIS  29           HE1      HIS  29  -6.242  10.691   7.255
  220    HE2  HIS  29           HE2      HIS  29  -6.864  12.790   6.010
  221   1HB   LEU  30          2HB       LEU  30   0.548   8.601   2.248
  222   2HB   LEU  30          1HB       LEU  30   0.861   6.914   1.911
  223    H    LEU  30           H        LEU  30  -1.766   9.328   1.846
  224    HA   LEU  30           HA       LEU  30  -1.597   6.536   1.751
  225    HG   LEU  30           HG       LEU  30  -0.326   8.964   0.051
  226   1HD1  LEU  30          3HD1      LEU  30   2.176   8.806   0.386
  227   2HD1  LEU  30          2HD1      LEU  30   2.079   7.201  -0.338
  228   3HD1  LEU  30          1HD1      LEU  30   1.599   8.620  -1.271
  229   1HD2  LEU  30          3HD2      LEU  30  -1.243   6.442   0.118
  230   2HD2  LEU  30          2HD2      LEU  30  -1.087   7.383  -1.367
  231   3HD2  LEU  30          1HD2      LEU  30   0.165   6.224  -0.921
  232    H    ALA  31           H        ALA  31  -2.026   5.232   3.410
  233    HA   ALA  31           HA       ALA  31  -1.965   5.939   6.115
  234   1HB   ALA  31          3HB       ALA  31  -2.181   3.390   4.621
  235   2HB   ALA  31          2HB       ALA  31  -1.781   3.306   6.337
  236   3HB   ALA  31          1HB       ALA  31  -3.267   4.102   5.815
  237    H    THR  32           H        THR  32  -0.657   3.932   7.443
  238    HA   THR  32           HA       THR  32   2.185   4.345   6.805
  239    HB   THR  32           HB       THR  32   2.703   5.229   8.806
  240    HG1  THR  32           HG1      THR  32   0.915   4.400  10.583
  241   1HG2  THR  32          1HG2      THR  32  -0.168   5.797   8.375
  242   2HG2  THR  32          3HG2      THR  32   0.489   6.202   9.961
  243   3HG2  THR  32          2HG2      THR  32   1.199   6.904   8.507
  244   1HB   TYR  33          2HB       TYR  33   5.248   1.197   7.988
  245   2HB   TYR  33          1HB       TYR  33   4.871   0.984   9.690
  246    H    TYR  33           H        TYR  33   3.610   2.815   8.041
  247    HA   TYR  33           HA       TYR  33   2.947   0.170   7.520
  248    HD1  TYR  33           HD1      TYR  33   5.318  -0.855   6.500
  249    HD2  TYR  33           HD2      TYR  33   5.160  -1.097  10.744
  250    HE1  TYR  33           HE1      TYR  33   6.130  -3.173   6.392
  251    HE2  TYR  33           HE2      TYR  33   5.973  -3.415  10.648
  252    HH   TYR  33           HH       TYR  33   7.295  -4.786   7.847
  253   1HB   LYS  34          2HB       LYS  34   2.062   2.733  12.422
  254   2HB   LYS  34          1HB       LYS  34   0.950   1.885  13.485
  255   1HG   LYS  34          2HG       LYS  34   2.732   0.718  14.548
  256   2HG   LYS  34          1HG       LYS  34   3.896   1.301  13.358
  257   1HD   LYS  34          2HD       LYS  34   3.691   3.547  14.155
  258   2HD   LYS  34          1HD       LYS  34   2.343   3.106  15.203
  259   1HE   LYS  34          2HE       LYS  34   3.724   1.905  16.666
  260   2HE   LYS  34          1HE       LYS  34   5.045   1.837  15.500
  261    H    LYS  34           H        LYS  34   2.998   1.840  10.653
  262    HA   LYS  34           HA       LYS  34   2.105  -0.225  12.260
  263   1HZ   LYS  34          1HZ       LYS  34   4.130   4.450  16.485
  264   2HZ   LYS  34          3HZ       LYS  34   5.133   3.503  17.467
  265   3HZ   LYS  34          2HZ       LYS  34   5.662   3.987  15.936
  266   1HB   GLN  35          2HB       GLN  35  -1.606   2.566   8.675
  267   2HB   GLN  35          1HB       GLN  35  -3.196   2.552   9.419
  268   1HG   GLN  35          2HG       GLN  35  -2.212   3.860  11.319
  269   2HG   GLN  35          1HG       GLN  35  -0.752   4.028  10.345
  270   1HE2  GLN  35          1HE2      GLN  35  -3.246   5.719  11.310
  271   2HE2  GLN  35          2HE2      GLN  35  -3.557   6.705   9.927
  272    H    GLN  35           H        GLN  35   0.186   2.195  10.502
  273    HA   GLN  35           HA       GLN  35  -2.340   1.324  11.333
  274   1HB   LEU  36          2HB       LEU  36   0.688  -0.759   7.192
  275   2HB   LEU  36          1HB       LEU  36   0.622  -2.502   7.354
  276    H    LEU  36           H        LEU  36  -0.204   0.237   8.765
  277    HA   LEU  36           HA       LEU  36  -2.043  -1.406   7.395
  278    HG   LEU  36           HG       LEU  36   0.563  -1.389   4.987
  279   1HD1  LEU  36          1HD1      LEU  36   0.363  -3.793   5.474
  280   2HD1  LEU  36          3HD1      LEU  36  -1.371  -3.580   5.719
  281   3HD1  LEU  36          2HD1      LEU  36  -0.661  -3.287   4.130
  282   1HD2  LEU  36          1HD2      LEU  36  -1.582  -0.099   5.919
  283   2HD2  LEU  36          3HD2      LEU  36  -1.378  -0.517   4.218
  284   3HD2  LEU  36          2HD2      LEU  36  -2.377  -1.530   5.260
  285   1HB   GLU  37          2HB       GLU  37   1.282  -3.301  11.747
  286   2HB   GLU  37          1HB       GLU  37  -0.051  -2.664  12.694
  287   1HG   GLU  37          2HG       GLU  37   0.683  -4.316  14.078
  288   2HG   GLU  37          1HG       GLU  37  -0.540  -5.187  13.152
  289    H    GLU  37           H        GLU  37  -0.088  -1.880  10.249
  290    HA   GLU  37           HA       GLU  37  -0.344  -4.685  10.465
  291    H    ALA  38           H        ALA  38  -2.059  -2.075  12.147
  292    HA   ALA  38           HA       ALA  38  -3.940  -3.566  13.509
  293   1HB   ALA  38          1HB       ALA  38  -3.594  -1.124  13.763
  294   2HB   ALA  38          2HB       ALA  38  -5.293  -1.568  13.604
  295   3HB   ALA  38          3HB       ALA  38  -4.428  -0.879  12.229
  296    H    ALA  39           H        ALA  39  -3.773  -2.721  10.151
  297    HA   ALA  39           HA       ALA  39  -6.471  -3.515   9.527
  298   1HB   ALA  39          1HB       ALA  39  -4.150  -3.079   7.649
  299   2HB   ALA  39          2HB       ALA  39  -5.231  -1.807   8.219
  300   3HB   ALA  39          3HB       ALA  39  -5.862  -3.122   7.226
  301   1HB   ARG  40          2HB       ARG  40  -1.630  -6.436   8.509
  302   2HB   ARG  40          1HB       ARG  40  -1.799  -6.975  10.175
  303   1HG   ARG  40          2HG       ARG  40  -2.203  -9.286   9.280
  304   2HG   ARG  40          1HG       ARG  40  -1.746  -8.669   7.691
  305   1HD   ARG  40          2HD       ARG  40   0.449  -8.449   8.252
  306   2HD   ARG  40          1HD       ARG  40   0.096  -8.122   9.947
  307   1HH1  ARG  40          2HH1      ARG  40   2.288  -8.842   9.161
  308   2HH1  ARG  40          1HH1      ARG  40   3.359 -10.162   9.490
  309   1HH2  ARG  40          2HH2      ARG  40   0.803 -12.492   9.998
  310   2HH2  ARG  40          1HH2      ARG  40   2.515 -12.236   9.965
  311    H    ARG  40           H        ARG  40  -3.312  -4.969   9.600
  312    HA   ARG  40           HA       ARG  40  -3.941  -7.284   8.067
  313    HE   ARG  40           HE       ARG  40  -0.601 -10.746   9.563
  314   1HB   LYS  41          2HB       LYS  41  -5.130  -8.002  14.503
  315   2HB   LYS  41          1HB       LYS  41  -4.144  -6.776  13.720
  316   1HG   LYS  41          2HG       LYS  41  -5.952  -5.437  13.231
  317   2HG   LYS  41          1HG       LYS  41  -7.098  -6.775  13.331
  318   1HD   LYS  41          2HD       LYS  41  -7.494  -6.346  15.477
  319   2HD   LYS  41          1HD       LYS  41  -5.770  -6.438  15.853
  320   1HE   LYS  41          2HE       LYS  41  -6.704  -3.980  14.501
  321   2HE   LYS  41          1HE       LYS  41  -7.230  -4.211  16.168
  322    H    LYS  41           H        LYS  41  -4.129  -6.482  11.484
  323    HA   LYS  41           HA       LYS  41  -4.515  -9.036  12.518
  324   1HZ   LYS  41          2HZ       LYS  41  -4.465  -4.791  15.883
  325   2HZ   LYS  41          1HZ       LYS  41  -4.804  -3.230  15.326
  326   3HZ   LYS  41          3HZ       LYS  41  -5.224  -3.676  16.904
  327   1HG1  ILE  42          2HG1      ILE  42  -8.772  -5.057   9.122
  328   2HG1  ILE  42          1HG1      ILE  42  -8.013  -6.600   8.741
  329    H    ILE  42           H        ILE  42  -6.692  -6.905  10.842
  330    HA   ILE  42           HA       ILE  42  -9.036  -8.461  11.573
  331    HB   ILE  42           HB       ILE  42 -10.345  -6.852  10.499
  332   1HG2  ILE  42          1HG2      ILE  42  -8.812  -6.088  12.473
  333   2HG2  ILE  42          3HG2      ILE  42  -8.084  -5.056  11.241
  334   3HG2  ILE  42          2HG2      ILE  42  -9.804  -4.915  11.608
  335   1HD1  ILE  42          2HD1      ILE  42 -10.947  -6.510   8.516
  336   2HD1  ILE  42          1HD1      ILE  42 -10.036  -5.562   7.340
  337   3HD1  ILE  42          3HD1      ILE  42  -9.746  -7.295   7.490
  338   1HA   GLY  43          1HA       GLY  43  -8.239 -10.393   7.594
  339   2HA   GLY  43          2HA       GLY  43  -6.487 -10.421   7.736
  340    H    GLY  43           H        GLY  43  -6.639  -8.473   9.161
  341   1HB   PHE  44          2HB       PHE  44  -6.779  -5.370   6.442
  342   2HB   PHE  44          1HB       PHE  44  -5.033  -5.539   6.298
  343    H    PHE  44           H        PHE  44  -5.863  -7.786   7.268
  344    HA   PHE  44           HA       PHE  44  -7.028  -7.123   4.668
  345    HD1  PHE  44           HD1      PHE  44  -7.604  -5.515   3.621
  346    HD2  PHE  44           HD2      PHE  44  -4.338  -3.493   5.451
  347    HE1  PHE  44           HE1      PHE  44  -7.608  -3.865   1.795
  348    HE2  PHE  44           HE2      PHE  44  -4.336  -1.840   3.631
  349    HZ   PHE  44           HZ       PHE  44  -5.972  -2.024   1.799
  350   1HB   HIS  45          2HB       HIS  45  -3.176 -10.831   3.530
  351   2HB   HIS  45          1HB       HIS  45  -4.925 -10.901   3.351
  352    H    HIS  45           H        HIS  45  -6.036  -8.881   3.536
  353    HA   HIS  45           HA       HIS  45  -3.130  -8.616   3.175
  354    HD1  HIS  45           HD1      HIS  45  -5.807 -11.951   1.267
  355    HD2  HIS  45           HD2      HIS  45  -1.759 -11.056   0.995
  356    HE1  HIS  45           HE1      HIS  45  -5.027 -12.995  -0.883
  357    HE2  HIS  45           HE2      HIS  45  -2.607 -12.334  -1.086
  358    H    VAL  46           H        VAL  46  -2.462  -7.646   1.402
  359    HA   VAL  46           HA       VAL  46  -3.916  -8.029  -1.108
  360    HB   VAL  46           HB       VAL  46  -3.087  -5.293  -0.124
  361   1HG1  VAL  46          3HG1      VAL  46  -3.148  -6.025  -2.671
  362   2HG1  VAL  46          2HG1      VAL  46  -4.872  -5.715  -2.459
  363   3HG1  VAL  46          1HG1      VAL  46  -3.700  -4.435  -2.145
  364   1HG2  VAL  46          2HG2      VAL  46  -5.836  -6.502  -0.399
  365   2HG2  VAL  46          1HG2      VAL  46  -5.026  -6.069   1.106
  366   3HG2  VAL  46          3HG2      VAL  46  -5.497  -4.810  -0.034
  367   1HB   CYS  47          2HB       CYS  47  -0.601  -9.219  -4.842
  368   2HB   CYS  47          1HB       CYS  47   0.505 -10.092  -3.785
  369    H    CYS  47           H        CYS  47  -2.477  -8.770  -2.523
  370    HA   CYS  47           HA       CYS  47   0.327  -8.570  -2.118
  371    H    ALA  48           H        ALA  48  -1.806  -6.283  -3.139
  372    HA   ALA  48           HA       ALA  48  -0.059  -5.069  -5.128
  373   1HB   ALA  48          1HB       ALA  48  -2.721  -5.148  -5.043
  374   2HB   ALA  48          2HB       ALA  48  -1.836  -3.822  -5.797
  375   3HB   ALA  48          3HB       ALA  48  -2.469  -3.643  -4.160
  376    H    ALA  49           H        ALA  49   1.727  -4.557  -3.828
  377    HA   ALA  49           HA       ALA  49   1.941  -3.399  -1.418
  378   1HB   ALA  49          2HB       ALA  49   4.043  -3.466  -2.140
  379   2HB   ALA  49          1HB       ALA  49   3.538  -3.377  -3.829
  380   3HB   ALA  49          3HB       ALA  49   3.747  -1.898  -2.892
  381   1HA   GLY  50          2HA       GLY  50  -0.308   0.203  -0.428
  382   2HA   GLY  50          1HA       GLY  50   0.151   0.549  -2.088
  383    H    GLY  50           H        GLY  50   1.327  -1.579  -0.421
  384   1HB   TRP  51          2HB       TRP  51   1.626   4.689  -2.487
  385   2HB   TRP  51          1HB       TRP  51   3.037   5.415  -1.722
  386    H    TRP  51           H        TRP  51   1.130   2.452  -2.215
  387    HA   TRP  51           HA       TRP  51   3.555   3.010  -0.905
  388    HD1  TRP  51           HD1      TRP  51   1.996   3.365  -4.707
  389    HE1  TRP  51           HE1      TRP  51   4.050   2.916  -6.195
  390    HE3  TRP  51           HE3      TRP  51   5.670   5.039  -1.562
  391    HZ2  TRP  51           HZ2      TRP  51   6.853   3.235  -6.060
  392    HZ3  TRP  51           HZ3      TRP  51   8.009   4.934  -2.321
  393    HH2  TRP  51           HH2      TRP  51   8.586   4.052  -4.523
  394   1HB   MET  52          2HB       MET  52   2.465   3.895   4.561
  395   2HB   MET  52          1HB       MET  52   1.250   3.401   3.393
  396   1HG   MET  52          2HG       MET  52   2.340   1.532   2.886
  397   2HG   MET  52          1HG       MET  52   3.890   2.364   2.771
  398    H    MET  52           H        MET  52   3.928   3.628   1.109
  399    HA   MET  52           HA       MET  52   2.022   5.378   2.468
  400   1HE   MET  52          3HE       MET  52   4.018  -0.193   3.353
  401   2HE   MET  52          2HE       MET  52   4.970  -0.385   4.825
  402   3HE   MET  52          1HE       MET  52   3.275  -0.869   4.802
  403    H    ALA  53           H        ALA  53   3.036   5.885   4.775
  404    HA   ALA  53           HA       ALA  53   4.633   7.186   5.778
  405   1HB   ALA  53          3HB       ALA  53   6.769   5.341   4.895
  406   2HB   ALA  53          1HB       ALA  53   5.425   4.642   5.798
  407   3HB   ALA  53          2HB       ALA  53   6.382   5.943   6.507
  408   1HB   LYS  54          2HB       LYS  54   9.315   8.124   4.942
  409   2HB   LYS  54          1HB       LYS  54   9.929   8.557   3.354
  410   1HG   LYS  54          2HG       LYS  54  10.629  10.397   4.435
  411   2HG   LYS  54          1HG       LYS  54   8.979  10.942   4.134
  412   1HD   LYS  54          2HD       LYS  54   9.105   9.356   6.537
  413   2HD   LYS  54          1HD       LYS  54  10.256  10.692   6.607
  414   1HE   LYS  54          2HE       LYS  54   8.639  12.224   6.795
  415   2HE   LYS  54          1HE       LYS  54   7.655  11.466   5.543
  416    H    LYS  54           H        LYS  54   7.317   7.583   5.261
  417    HA   LYS  54           HA       LYS  54   7.365   9.715   3.551
  418   1HZ   LYS  54          3HZ       LYS  54   7.541   9.770   7.708
  419   2HZ   LYS  54          2HZ       LYS  54   7.383  11.322   8.363
  420   3HZ   LYS  54          1HZ       LYS  54   6.316  10.799   7.159
  421   1HA   GLY  55          1HA       GLY  55   8.230   6.854   0.010
  422   2HA   GLY  55          2HA       GLY  55   6.518   6.484   0.168
  423    H    GLY  55           H        GLY  55   7.195   6.419   2.711
  424   1HB   ARG  56          2HB       ARG  56   8.281   3.228   3.931
  425   2HB   ARG  56          1HB       ARG  56   6.748   2.374   3.810
  426   1HG   ARG  56          2HG       ARG  56   7.901   0.323   3.234
  427   2HG   ARG  56          1HG       ARG  56   9.451   1.166   3.262
  428   1HD   ARG  56          2HD       ARG  56   7.790   1.399   5.691
  429   2HD   ARG  56          1HD       ARG  56   8.458  -0.197   5.357
  430   1HH1  ARG  56          1HH1      ARG  56   8.062   1.726   7.406
  431   2HH1  ARG  56          2HH1      ARG  56   9.092   2.403   8.621
  432   1HH2  ARG  56          2HH2      ARG  56  12.021   2.061   6.742
  433   2HH2  ARG  56          1HH2      ARG  56  11.344   2.594   8.244
  434    H    ARG  56           H        ARG  56   6.951   4.710   2.465
  435    HA   ARG  56           HA       ARG  56   8.618   2.565   1.461
  436    HE   ARG  56           HE       ARG  56  10.655   1.171   5.147
  437    H    VAL  57           H        VAL  57   7.945   0.783   0.405
  438    HA   VAL  57           HA       VAL  57   5.046   0.503  -0.038
  439    HB   VAL  57           HB       VAL  57   5.357   0.123  -2.234
  440   1HG1  VAL  57          1HG1      VAL  57   7.881   1.492  -1.390
  441   2HG1  VAL  57          3HG1      VAL  57   7.587   1.113  -3.086
  442   3HG1  VAL  57          2HG1      VAL  57   6.468   2.157  -2.210
  443   1HG2  VAL  57          3HG2      VAL  57   7.731  -1.475  -1.368
  444   2HG2  VAL  57          2HG2      VAL  57   6.287  -1.993  -2.239
  445   3HG2  VAL  57          1HG2      VAL  57   7.525  -1.048  -3.066
  446   1HA   GLY  58          2HA       GLY  58   5.002  -3.326   1.967
  447   2HA   GLY  58          1HA       GLY  58   5.594  -3.914   0.422
  448    H    GLY  58           H        GLY  58   4.097  -1.494   0.127
  449   1HB   TYR  59          2HB       TYR  59   1.381  -7.240  -1.085
  450   2HB   TYR  59          1HB       TYR  59   1.731  -5.590  -1.594
  451    H    TYR  59           H        TYR  59   4.216  -5.773   0.958
  452    HA   TYR  59           HA       TYR  59   1.351  -5.309   0.676
  453    HD1  TYR  59           HD1      TYR  59   4.185  -4.907  -1.813
  454    HD2  TYR  59           HD2      TYR  59   2.930  -8.965  -1.473
  455    HE1  TYR  59           HE1      TYR  59   6.334  -5.646  -2.750
  456    HE2  TYR  59           HE2      TYR  59   5.076  -9.709  -2.410
  457    HH   TYR  59           HH       TYR  59   7.353  -8.901  -2.673
  458   1HB   PRO  60          2HB       PRO  60  -0.675  -8.309   4.749
  459   2HB   PRO  60          1HB       PRO  60   0.658  -7.279   5.275
  460   1HG   PRO  60          2HG       PRO  60  -1.509  -6.720   3.302
  461   2HG   PRO  60          1HG       PRO  60  -0.785  -5.645   4.508
  462   1HD   PRO  60          2HD       PRO  60  -0.144  -5.551   1.873
  463   2HD   PRO  60          1HD       PRO  60   1.003  -5.129   3.158
  464    HA   PRO  60           HA       PRO  60   1.883  -8.538   3.808
  465   1HG1  ILE  61          2HG1      ILE  61   2.717 -10.463   0.704
  466   2HG1  ILE  61          1HG1      ILE  61   2.954 -11.556  -0.655
  467    H    ILE  61           H        ILE  61   1.981 -10.396   2.616
  468    HA   ILE  61           HA       ILE  61  -0.390 -11.304   1.183
  469    HB   ILE  61           HB       ILE  61   2.215 -12.792   1.328
  470   1HG2  ILE  61          2HG2      ILE  61  -0.257 -13.203   0.032
  471   2HG2  ILE  61          1HG2      ILE  61   0.923 -12.792  -1.214
  472   3HG2  ILE  61          3HG2      ILE  61   1.225 -14.147  -0.124
  473   1HD1  ILE  61          2HD1      ILE  61   0.307 -10.270  -0.418
  474   2HD1  ILE  61          1HD1      ILE  61   1.670  -9.249  -0.878
  475   3HD1  ILE  61          3HD1      ILE  61   1.260 -10.663  -1.850
  476    H    VAL  62           H        VAL  62  -1.813 -11.975   2.739
  477    HA   VAL  62           HA       VAL  62  -0.963 -13.887   4.759
  478    HB   VAL  62           HB       VAL  62  -3.580 -12.497   4.218
  479   1HG1  VAL  62          3HG1      VAL  62  -3.176 -15.020   5.526
  480   2HG1  VAL  62          2HG1      VAL  62  -3.758 -13.820   6.680
  481   3HG1  VAL  62          1HG1      VAL  62  -4.677 -14.150   5.212
  482   1HG2  VAL  62          3HG2      VAL  62  -1.330 -11.764   5.663
  483   2HG2  VAL  62          2HG2      VAL  62  -2.934 -11.040   5.773
  484   3HG2  VAL  62          1HG2      VAL  62  -2.469 -12.327   6.885
  485   1HB   LYS  63          2HB       LYS  63  -5.159 -14.708   1.508
  486   2HB   LYS  63          1HB       LYS  63  -4.630 -15.009  -0.140
  487   1HG   LYS  63          2HG       LYS  63  -5.139 -17.429   0.226
  488   2HG   LYS  63          1HG       LYS  63  -5.851 -16.980   1.778
  489   1HD   LYS  63          2HD       LYS  63  -7.707 -16.152   0.822
  490   2HD   LYS  63          1HD       LYS  63  -6.805 -15.384  -0.485
  491   1HE   LYS  63          2HE       LYS  63  -7.356 -18.341  -0.348
  492   2HE   LYS  63          1HE       LYS  63  -8.389 -17.194  -1.199
  493    H    LYS  63           H        LYS  63  -2.842 -13.748   1.800
  494    HA   LYS  63           HA       LYS  63  -3.355 -16.638   1.990
  495   1HZ   LYS  63          3HZ       LYS  63  -5.511 -17.633  -1.780
  496   2HZ   LYS  63          2HZ       LYS  63  -6.789 -18.293  -2.668
  497   3HZ   LYS  63          1HZ       LYS  63  -6.562 -16.617  -2.632
  498   1HB   PRO  64          2HB       PRO  64   0.279 -19.423  -0.936
  499   2HB   PRO  64          1HB       PRO  64   1.115 -18.361   0.199
  500   1HG   PRO  64          2HG       PRO  64  -1.427 -19.889   0.548
  501   2HG   PRO  64          1HG       PRO  64  -0.110 -19.623   1.704
  502   1HD   PRO  64          1HD       PRO  64  -2.418 -18.246   1.836
  503   2HD   PRO  64          2HD       PRO  64  -0.860 -17.506   2.263
  504    HA   PRO  64           HA       PRO  64   0.116 -16.670  -0.952
  505   1HA   GLY  65          2HA       GLY  65  -2.177 -17.539  -4.523
  506   2HA   GLY  65          1HA       GLY  65  -1.247 -19.029  -4.556
  507    H    GLY  65           H        GLY  65   0.288 -17.242  -3.120
  508   1HB   PRO  66          2HB       PRO  66  -1.367 -17.353  -9.609
  509   2HB   PRO  66          1HB       PRO  66   0.041 -18.358  -9.961
  510   1HG   PRO  66          2HG       PRO  66  -2.248 -19.453  -9.146
  511   2HG   PRO  66          1HG       PRO  66  -0.686 -20.085  -8.593
  512   1HD   PRO  66          2HD       PRO  66  -2.663 -18.377  -7.144
  513   2HD   PRO  66          1HD       PRO  66  -1.639 -19.690  -6.527
  514    HA   PRO  66           HA       PRO  66   1.119 -17.755  -8.027
  515   1HB   ASN  67          2HB       ASN  67   0.413 -14.214 -10.493
  516   2HB   ASN  67          1HB       ASN  67  -0.420 -13.068  -9.447
  517   1HD2  ASN  67          1HD2      ASN  67   0.382 -10.937  -9.286
  518   2HD2  ASN  67          2HD2      ASN  67   1.363 -10.261 -10.537
  519    H    ASN  67           H        ASN  67   2.052 -15.877  -8.546
  520    HA   ASN  67           HA       ASN  67   2.423 -13.650  -8.808
  521   1HB   CYS  68          2HB       CYS  68  -1.011 -14.273  -5.165
  522   2HB   CYS  68          1HB       CYS  68  -0.807 -13.559  -3.569
  523    H    CYS  68           H        CYS  68   1.589 -14.657  -6.214
  524    HA   CYS  68           HA       CYS  68   1.001 -12.115  -4.979
  525   1HA   GLY  69          2HA       GLY  69   1.594 -16.587  -2.099
  526   2HA   GLY  69          1HA       GLY  69   1.974 -15.016  -1.406
  527    H    GLY  69           H        GLY  69   0.549 -15.429  -3.786
  528   1HB   PHE  70          2HB       PHE  70   5.744 -13.050  -1.770
  529   2HB   PHE  70          1HB       PHE  70   7.017 -13.950  -0.953
  530    H    PHE  70           H        PHE  70   4.040 -14.383  -1.369
  531    HA   PHE  70           HA       PHE  70   5.948 -15.314  -3.320
  532    HD1  PHE  70           HD1      PHE  70   6.051 -12.225  -4.029
  533    HD2  PHE  70           HD2      PHE  70   9.142 -14.343  -2.012
  534    HE1  PHE  70           HE1      PHE  70   7.677 -11.435  -5.699
  535    HE2  PHE  70           HE2      PHE  70  10.774 -13.557  -3.677
  536    HZ   PHE  70           HZ       PHE  70  10.042 -12.100  -5.524
  537   1HA   GLY  71          1HA       GLY  71   7.096 -18.351  -0.260
  538   2HA   GLY  71          2HA       GLY  71   5.503 -19.093  -0.354
  539    H    GLY  71           H        GLY  71   4.605 -16.898  -0.896
  540   1HB   LYS  72          2HB       LYS  72   7.562 -14.935   2.971
  541   2HB   LYS  72          1HB       LYS  72   6.993 -15.033   4.633
  542   1HG   LYS  72          2HG       LYS  72   8.345 -17.459   3.836
  543   2HG   LYS  72          1HG       LYS  72   9.370 -16.039   3.619
  544   1HD   LYS  72          2HD       LYS  72   8.166 -15.621   6.077
  545   2HD   LYS  72          1HD       LYS  72   8.507 -17.353   6.061
  546   1HE   LYS  72          2HE       LYS  72  10.454 -16.445   6.940
  547   2HE   LYS  72          1HE       LYS  72  10.848 -16.660   5.235
  548    H    LYS  72           H        LYS  72   6.610 -16.135   1.282
  549    HA   LYS  72           HA       LYS  72   6.085 -17.378   3.873
  550   1HZ   LYS  72          3HZ       LYS  72  10.275 -14.306   4.889
  551   2HZ   LYS  72          2HZ       LYS  72  10.033 -14.127   6.553
  552   3HZ   LYS  72          1HZ       LYS  72  11.570 -14.506   5.959
  553    H    THR  73           H        THR  73   4.938 -16.067   5.530
  554    HA   THR  73           HA       THR  73   2.674 -14.626   4.308
  555    HB   THR  73           HB       THR  73   1.463 -15.288   6.473
  556    HG1  THR  73           HG1      THR  73   2.708 -16.331   7.830
  557   1HG2  THR  73          2HG2      THR  73   2.073 -16.911   4.099
  558   2HG2  THR  73          1HG2      THR  73   1.424 -17.814   5.468
  559   3HG2  THR  73          3HG2      THR  73   0.517 -16.460   4.795
  560   1HA   GLY  74          2HA       GLY  74   4.047 -11.491   7.052
  561   2HA   GLY  74          1HA       GLY  74   2.321 -11.149   7.005
  562    H    GLY  74           H        GLY  74   2.455 -12.552   4.821
  563   1HG1  ILE  75          1HG1      ILE  75   2.018  -5.684   5.462
  564   2HG1  ILE  75          2HG1      ILE  75   1.812  -6.740   6.856
  565    H    ILE  75           H        ILE  75   3.445  -8.918   7.050
  566    HA   ILE  75           HA       ILE  75   2.979  -7.653   4.606
  567    HB   ILE  75           HB       ILE  75   4.254  -6.811   7.162
  568   1HG2  ILE  75          3HG2      ILE  75   4.513  -5.341   4.555
  569   2HG2  ILE  75          2HG2      ILE  75   4.591  -4.520   6.114
  570   3HG2  ILE  75          1HG2      ILE  75   5.778  -5.761   5.709
  571   1HD1  ILE  75          3HD1      ILE  75   2.995  -4.936   8.194
  572   2HD1  ILE  75          2HD1      ILE  75   2.743  -3.896   6.793
  573   3HD1  ILE  75          1HD1      ILE  75   1.358  -4.589   7.637
  574   1HG1  ILE  76          1HG1      ILE  76   5.207 -10.165   2.398
  575   2HG1  ILE  76          2HG1      ILE  76   4.168  -9.989   0.987
  576    H    ILE  76           H        ILE  76   4.109  -7.698   2.799
  577    HA   ILE  76           HA       ILE  76   6.921  -8.466   2.864
  578    HB   ILE  76           HB       ILE  76   5.133  -8.036   0.470
  579   1HG2  ILE  76          2HG2      ILE  76   7.635  -7.874   0.168
  580   2HG2  ILE  76          1HG2      ILE  76   7.711  -9.579   0.614
  581   3HG2  ILE  76          3HG2      ILE  76   6.813  -9.081  -0.821
  582   1HD1  ILE  76          3HD1      ILE  76   6.922 -11.195   0.987
  583   2HD1  ILE  76          2HD1      ILE  76   5.400 -12.086   0.954
  584   3HD1  ILE  76          1HD1      ILE  76   5.846 -11.052  -0.403
  585   1HB   ASP  77          2HB       ASP  77   6.767  -4.046   4.213
  586   2HB   ASP  77          1HB       ASP  77   8.460  -3.840   4.649
  587    H    ASP  77           H        ASP  77   7.778  -6.515   3.699
  588    HA   ASP  77           HA       ASP  77   7.775  -4.283   1.776
  589   1HB   TYR  78          2HB       TYR  78  11.116  -5.204  -0.641
  590   2HB   TYR  78          1HB       TYR  78  12.281  -3.885  -0.692
  591    H    TYR  78           H        TYR  78   9.647  -4.088   0.753
  592    HA   TYR  78           HA       TYR  78  12.069  -5.211   1.926
  593    HD1  TYR  78           HD1      TYR  78  14.663  -4.312  -0.300
  594    HD2  TYR  78           HD2      TYR  78  11.834  -7.488  -0.369
  595    HE1  TYR  78           HE1      TYR  78  16.498  -5.932  -0.537
  596    HE2  TYR  78           HE2      TYR  78  13.661  -9.118  -0.606
  597    HH   TYR  78           HH       TYR  78  16.679  -8.617   0.116
  598   1HA   GLY  79          2HA       GLY  79  12.949  -1.022   3.085
  599   2HA   GLY  79          1HA       GLY  79  11.294  -0.449   3.287
  600    H    GLY  79           H        GLY  79  10.548  -2.425   2.337
  601   1HG1  ILE  80          1HG1      ILE  80  11.779   3.420   2.805
  602   2HG1  ILE  80          2HG1      ILE  80  12.654   4.945   2.748
  603    H    ILE  80           H        ILE  80  12.445   1.589   2.591
  604    HA   ILE  80           HA       ILE  80  11.611   2.459   0.148
  605    HB   ILE  80           HB       ILE  80  14.060   3.405   1.640
  606   1HG2  ILE  80          2HG2      ILE  80  12.482   4.721  -0.564
  607   2HG2  ILE  80          1HG2      ILE  80  13.706   5.528   0.416
  608   3HG2  ILE  80          3HG2      ILE  80  14.161   4.185  -0.632
  609   1HD1  ILE  80          3HD1      ILE  80  10.598   4.274   0.684
  610   2HD1  ILE  80          2HD1      ILE  80  10.145   4.952   2.248
  611   3HD1  ILE  80          1HD1      ILE  80  11.214   5.853   1.172
  612   1HB   ARG  81          2HB       ARG  81  12.779   1.732  -4.619
  613   2HB   ARG  81          1HB       ARG  81  13.644   0.203  -4.547
  614   1HG   ARG  81          2HG       ARG  81  11.450   0.769  -2.602
  615   2HG   ARG  81          1HG       ARG  81  11.072   0.243  -4.244
  616   1HD   ARG  81          2HD       ARG  81  12.908  -1.224  -2.357
  617   2HD   ARG  81          1HD       ARG  81  11.207  -1.616  -2.602
  618   1HH1  ARG  81          2HH1      ARG  81   9.955  -1.772  -4.099
  619   2HH1  ARG  81          1HH1      ARG  81   9.593  -2.724  -5.501
  620   1HH2  ARG  81          2HH2      ARG  81  12.934  -3.469  -6.217
  621   2HH2  ARG  81          1HH2      ARG  81  11.287  -3.689  -6.704
  622    H    ARG  81           H        ARG  81  12.296   2.382  -1.922
  623    HA   ARG  81           HA       ARG  81  14.607   0.686  -2.497
  624    HE   ARG  81           HE       ARG  81  13.400  -2.213  -4.370
  625   1HB   LEU  82          2HB       LEU  82  17.488   3.205  -2.957
  626   2HB   LEU  82          1HB       LEU  82  17.572   4.333  -4.294
  627    H    LEU  82           H        LEU  82  14.823   3.510  -1.617
  628    HA   LEU  82           HA       LEU  82  15.994   5.401  -2.108
  629    HG   LEU  82           HG       LEU  82  19.470   4.613  -2.792
  630   1HD1  LEU  82          2HD1      LEU  82  17.493   6.754  -3.241
  631   2HD1  LEU  82          1HD1      LEU  82  18.759   7.098  -2.063
  632   3HD1  LEU  82          3HD1      LEU  82  19.189   6.653  -3.714
  633   1HD2  LEU  82          1HD2      LEU  82  17.896   3.932  -0.773
  634   2HD2  LEU  82          3HD2      LEU  82  19.342   4.914  -0.541
  635   3HD2  LEU  82          2HD2      LEU  82  17.757   5.684  -0.620
  636   1HB   ASN  83          2HB       ASN  83  14.997   5.322  -6.969
  637   2HB   ASN  83          1HB       ASN  83  13.775   4.060  -6.841
  638   1HD2  ASN  83          2HD2      ASN  83  12.833   3.850  -8.733
  639   2HD2  ASN  83          1HD2      ASN  83  12.260   5.137  -9.732
  640    H    ASN  83           H        ASN  83  13.620   4.530  -3.844
  641    HA   ASN  83           HA       ASN  83  13.662   6.802  -5.567
  642   1HB   ARG  84          2HB       ARG  84   8.259   7.622  -3.907
  643   2HB   ARG  84          1HB       ARG  84   9.891   7.842  -3.289
  644   1HG   ARG  84          2HG       ARG  84   9.738   8.992  -5.890
  645   2HG   ARG  84          1HG       ARG  84   8.385   9.579  -4.922
  646   1HD   ARG  84          2HD       ARG  84  11.259   9.608  -4.015
  647   2HD   ARG  84          1HD       ARG  84  10.443  10.978  -4.765
  648   1HH1  ARG  84          1HH1      ARG  84  11.529  12.136  -3.597
  649   2HH1  ARG  84          2HH1      ARG  84  11.435  13.164  -2.207
  650   1HH2  ARG  84          2HH2      ARG  84   8.953  11.283  -0.621
  651   2HH2  ARG  84          1HH2      ARG  84   9.972  12.679  -0.515
  652    H    ARG  84           H        ARG  84  11.691   7.515  -5.066
  653    HA   ARG  84           HA       ARG  84   9.510   5.699  -4.552
  654    HE   ARG  84           HE       ARG  84   9.084   9.933  -2.456
  655   1HB   SER  85          2HB       SER  85  11.165   7.095  -9.229
  656   2HB   SER  85          1HB       SER  85  10.630   5.920 -10.430
  657    H    SER  85           H        SER  85  10.713   5.868  -7.271
  658    HA   SER  85           HA       SER  85   8.405   6.825  -8.814
  659    HG   SER  85           HG       SER  85   8.969   8.090 -10.162
  660   1HB   GLU  86          2HB       GLU  86   7.706   1.740  -6.596
  661   2HB   GLU  86          1HB       GLU  86   8.726   0.620  -7.484
  662   1HG   GLU  86          2HG       GLU  86   9.870   3.143  -6.376
  663   2HG   GLU  86          1HG       GLU  86   9.630   1.735  -5.343
  664    H    GLU  86           H        GLU  86   9.037   4.142  -7.303
  665    HA   GLU  86           HA       GLU  86   9.070   2.100  -9.239
  666   1HB   ARG  87          2HB       ARG  87   5.572  -0.679 -11.083
  667   2HB   ARG  87          1HB       ARG  87   4.206   0.317 -11.562
  668   1HG   ARG  87          2HG       ARG  87   5.591   1.966 -12.490
  669   2HG   ARG  87          1HG       ARG  87   7.026   1.330 -11.685
  670   1HD   ARG  87          2HD       ARG  87   7.444   0.322 -13.639
  671   2HD   ARG  87          1HD       ARG  87   6.197  -0.823 -13.143
  672   1HH1  ARG  87          1HH1      ARG  87   4.659  -1.496 -13.504
  673   2HH1  ARG  87          2HH1      ARG  87   3.338  -1.689 -14.608
  674   1HH2  ARG  87          1HH2      ARG  87   4.115   1.157 -16.488
  675   2HH2  ARG  87          2HH2      ARG  87   3.029  -0.181 -16.305
  676    H    ARG  87           H        ARG  87   7.160   0.433  -9.233
  677    HA   ARG  87           HA       ARG  87   4.696   1.930  -9.840
  678    HE   ARG  87           HE       ARG  87   5.851   1.400 -15.029
  679   1HB   TRP  88          2HB       TRP  88   3.808   1.054  -5.386
  680   2HB   TRP  88          1HB       TRP  88   2.837  -0.305  -4.837
  681    H    TRP  88           H        TRP  88   3.579   1.684  -7.963
  682    HA   TRP  88           HA       TRP  88   2.782  -1.057  -7.279
  683    HD1  TRP  88           HD1      TRP  88   6.262   0.644  -4.956
  684    HE1  TRP  88           HE1      TRP  88   7.846  -1.384  -4.976
  685    HE3  TRP  88           HE3      TRP  88   2.902  -2.986  -6.227
  686    HZ2  TRP  88           HZ2      TRP  88   7.683  -4.164  -5.458
  687    HZ3  TRP  88           HZ3      TRP  88   3.695  -5.305  -6.447
  688    HH2  TRP  88           HH2      TRP  88   6.038  -5.879  -6.073
  689   1HB   ASP  89          2HB       ASP  89  -0.882  -1.116  -4.474
  690   2HB   ASP  89          1HB       ASP  89  -2.244  -0.002  -4.372
  691    H    ASP  89           H        ASP  89   1.227  -0.275  -5.040
  692    HA   ASP  89           HA       ASP  89  -0.952   1.161  -6.396
  693    H    ALA  90           H        ALA  90  -2.245   1.182  -3.601
  694    HA   ALA  90           HA       ALA  90  -0.619   3.010  -2.098
  695   1HB   ALA  90          1HB       ALA  90  -1.247   4.680  -3.577
  696   2HB   ALA  90          2HB       ALA  90  -2.427   4.841  -2.275
  697   3HB   ALA  90          3HB       ALA  90  -2.875   4.031  -3.776
  698   1HB   TYR  91          2HB       TYR  91  -0.862   1.601   1.954
  699   2HB   TYR  91          1HB       TYR  91  -2.250   1.345   3.005
  700    H    TYR  91           H        TYR  91  -1.036   2.593  -0.049
  701    HA   TYR  91           HA       TYR  91  -3.553   1.326   0.692
  702    HD1  TYR  91           HD1      TYR  91  -3.906  -0.524   1.568
  703    HD2  TYR  91           HD2      TYR  91   0.334  -0.374   1.853
  704    HE1  TYR  91           HE1      TYR  91  -3.798  -2.941   1.136
  705    HE2  TYR  91           HE2      TYR  91   0.456  -2.789   1.418
  706    HH   TYR  91           HH       TYR  91  -1.599  -4.522   0.061
  707   1HB   CYS  92          2HB       CYS  92  -6.856   4.443   0.587
  708   2HB   CYS  92          1HB       CYS  92  -6.836   6.055   1.282
  709    H    CYS  92           H        CYS  92  -4.733   3.363   0.269
  710    HA   CYS  92           HA       CYS  92  -4.353   5.729   1.663
  711   1HB   TYR  93          2HB       TYR  93  -4.667   4.820   5.779
  712   2HB   TYR  93          1HB       TYR  93  -4.845   6.546   6.092
  713    H    TYR  93           H        TYR  93  -6.033   6.599   3.258
  714    HA   TYR  93           HA       TYR  93  -7.104   4.754   5.174
  715    HD1  TYR  93           HD1      TYR  93  -7.104   6.976   7.648
  716    HD2  TYR  93           HD2      TYR  93  -4.595   3.539   7.686
  717    HE1  TYR  93           HE1      TYR  93  -7.821   6.488   9.947
  718    HE2  TYR  93           HE2      TYR  93  -5.308   3.039   9.986
  719    HH   TYR  93           HH       TYR  93  -6.702   5.152  11.980
  720   1HB   ASN  94          2HB       ASN  94  -9.650   7.780   4.196
  721   2HB   ASN  94          1HB       ASN  94 -11.145   8.145   5.055
  722   1HD2  ASN  94          2HD2      ASN  94 -11.563  10.079   4.150
  723   2HD2  ASN  94          1HD2      ASN  94 -10.562  11.476   4.339
  724    H    ASN  94           H        ASN  94  -8.795   5.661   6.186
  725    HA   ASN  94           HA       ASN  94  -8.957   8.405   6.878
  726   1HB   PRO  95          2HB       PRO  95 -12.537   8.433  10.982
  727   2HB   PRO  95          1HB       PRO  95 -11.070   7.513  11.334
  728   1HG   PRO  95          2HG       PRO  95 -11.395  10.044   9.782
  729   2HG   PRO  95          1HG       PRO  95 -10.117   9.584  10.920
  730   1HD   PRO  95          2HD       PRO  95  -9.755   9.503   8.253
  731   2HD   PRO  95          1HD       PRO  95  -8.995   8.323   9.341
  732    HA   PRO  95           HA       PRO  95 -11.732   6.194   9.591
  733   1HB   HIS  96          2HB       HIS  96 -13.934  10.490   7.324
  734   2HB   HIS  96          1HB       HIS  96 -15.238  10.313   6.154
  735    H    HIS  96           H        HIS  96 -12.423   8.444   7.188
  736    HA   HIS  96           HA       HIS  96 -15.299   7.894   7.434
  737    HD1  HIS  96           HD1      HIS  96 -17.627  10.294   7.038
  738    HD2  HIS  96           HD2      HIS  96 -14.754  10.415  10.038
  739    HE1  HIS  96           HE1      HIS  96 -18.887  10.794   9.157
  740    HE2  HIS  96           HE2      HIS  96 -17.138  10.781  10.971
  741    H    ALA  97           H        ALA  97 -12.672   8.934   5.308
  742    HA   ALA  97           HA       ALA  97 -12.527   8.901   2.996
  743   1HB   ALA  97          3HB       ALA  97 -11.411   6.936   3.266
  744   2HB   ALA  97          2HB       ALA  97 -12.770   6.145   4.066
  745   3HB   ALA  97          1HB       ALA  97 -12.776   6.348   2.315
  746   1HB   LYS  98          2HB       LYS  98 -17.446   9.436   4.037
  747   2HB   LYS  98          1HB       LYS  98 -17.432  10.987   3.209
  748   1HG   LYS  98          2HG       LYS  98 -19.353  10.568   2.097
  749   2HG   LYS  98          1HG       LYS  98 -19.019   8.841   1.947
  750   1HD   LYS  98          2HD       LYS  98 -19.633   8.483   4.260
  751   2HD   LYS  98          1HD       LYS  98 -19.855  10.217   4.499
  752   1HE   LYS  98          2HE       LYS  98 -22.000   9.871   3.996
  753   2HE   LYS  98          1HE       LYS  98 -21.462   9.667   2.330
  754    H    LYS  98           H        LYS  98 -14.909   9.986   3.346
  755    HA   LYS  98           HA       LYS  98 -16.824   8.417   1.763
  756   1HZ   LYS  98          1HZ       LYS  98 -21.151   7.256   2.891
  757   2HZ   LYS  98          3HZ       LYS  98 -21.976   7.552   4.339
  758   3HZ   LYS  98          2HZ       LYS  98 -22.756   7.789   2.857

  No H/Q in entry =         758
  Start of MODEL    2
    1   1HA   GLY   1          2HA       GLY   1 -10.816   2.877   7.589
    2   2HA   GLY   1          1HA       GLY   1  -9.616   1.952   8.477
    3    H1   GLY   1          2H        GLY   1  -9.161   4.821   8.281
    4    H2   GLY   1          1H        GLY   1 -10.456   4.328   9.252
    5    H3   GLY   1          3H        GLY   1  -8.892   3.768   9.576
    6    H    VAL   2           H        VAL   2  -7.709   1.477   7.525
    7    HA   VAL   2           HA       VAL   2  -6.821   2.951   5.189
    8    HB   VAL   2           HB       VAL   2  -5.020   2.414   6.569
    9   1HG1  VAL   2          1HG1      VAL   2  -6.601   0.079   7.202
   10   2HG1  VAL   2          3HG1      VAL   2  -4.909  -0.338   6.930
   11   3HG1  VAL   2          2HG1      VAL   2  -5.336   0.873   8.141
   12   1HG2  VAL   2          2HG2      VAL   2  -5.084   1.421   4.024
   13   2HG2  VAL   2          1HG2      VAL   2  -3.646   1.526   5.039
   14   3HG2  VAL   2          3HG2      VAL   2  -4.558   0.019   4.957
   15   1HB   TYR   3          2HB       TYR   3  -9.302   0.577   0.690
   16   2HB   TYR   3          1HB       TYR   3  -9.937   0.679   2.325
   17    H    TYR   3           H        TYR   3  -7.102   2.345   3.139
   18    HA   TYR   3           HA       TYR   3  -7.900  -0.430   2.601
   19    HD1  TYR   3           HD1      TYR   3  -8.638   2.992   3.478
   20    HD2  TYR   3           HD2      TYR   3 -10.021   2.405  -0.501
   21    HE1  TYR   3           HE1      TYR   3  -8.916   5.422   3.223
   22    HE2  TYR   3           HE2      TYR   3 -10.295   4.832  -0.770
   23    HH   TYR   3           HH       TYR   3 -10.451   6.947   1.671
   24   1HB   HIS   4          2HB       HIS   4  -4.412  -2.086  -0.924
   25   2HB   HIS   4          1HB       HIS   4  -5.954  -2.614  -0.264
   26    H    HIS   4           H        HIS   4  -7.549  -1.102   0.358
   27    HA   HIS   4           HA       HIS   4  -5.040   0.037  -0.635
   28    HD1  HIS   4           HD1      HIS   4  -7.849  -3.171  -2.010
   29    HD2  HIS   4           HD2      HIS   4  -4.093  -2.463  -3.640
   30    HE1  HIS   4           HE1      HIS   4  -7.963  -4.043  -4.366
   31    HE2  HIS   4           HE2      HIS   4  -5.695  -3.559  -5.349
   32   1HB   ARG   5          2HB       ARG   5  -6.122   3.266  -3.331
   33   2HB   ARG   5          1HB       ARG   5  -6.935   3.184  -4.887
   34   1HG   ARG   5          2HG       ARG   5  -8.151   1.898  -2.479
   35   2HG   ARG   5          1HG       ARG   5  -8.319   3.633  -2.756
   36   1HD   ARG   5          2HD       ARG   5  -9.016   2.795  -5.173
   37   2HD   ARG   5          1HD       ARG   5  -9.447   1.341  -4.275
   38   1HH1  ARG   5          1HH1      ARG   5 -11.010   0.732  -4.644
   39   2HH1  ARG   5          2HH1      ARG   5 -12.723   0.776  -4.394
   40   1HH2  ARG   5          1HH2      ARG   5 -12.741   4.019  -3.086
   41   2HH2  ARG   5          2HH2      ARG   5 -13.708   2.645  -3.508
   42    H    ARG   5           H        ARG   5  -4.838   0.929  -2.611
   43    HA   ARG   5           HA       ARG   5  -6.991   0.653  -4.558
   44    HE   ARG   5           HE       ARG   5 -10.487   3.950  -3.421
   45   1HB   GLU   6          2HB       GLU   6  -3.809   0.092  -9.159
   46   2HB   GLU   6          1HB       GLU   6  -4.891  -0.703  -8.026
   47   1HG   GLU   6          2HG       GLU   6  -5.586   1.258 -10.186
   48   2HG   GLU   6          1HG       GLU   6  -6.102  -0.421 -10.023
   49    H    GLU   6           H        GLU   6  -6.378   1.136  -6.692
   50    HA   GLU   6           HA       GLU   6  -3.472   1.183  -7.092
   51    H    ALA   7           H        ALA   7  -3.312   1.981  -9.690
   52    HA   ALA   7           HA       ALA   7  -3.311   4.778  -9.477
   53   1HB   ALA   7          3HB       ALA   7  -2.513   4.825 -11.690
   54   2HB   ALA   7          2HB       ALA   7  -1.901   3.319 -11.006
   55   3HB   ALA   7          1HB       ALA   7  -3.292   3.295 -12.090
   56   1HB   ARG   8          2HB       ARG   8  -5.110   6.963 -13.325
   57   2HB   ARG   8          1HB       ARG   8  -6.771   6.785 -13.871
   58   1HG   ARG   8          2HG       ARG   8  -7.491   8.653 -12.687
   59   2HG   ARG   8          1HG       ARG   8  -6.078   8.644 -11.631
   60   1HD   ARG   8          2HD       ARG   8  -4.851   9.845 -13.069
   61   2HD   ARG   8          1HD       ARG   8  -5.428   8.935 -14.464
   62   1HH1  ARG   8          1HH1      ARG   8  -5.295   9.809 -15.945
   63   2HH1  ARG   8          2HH1      ARG   8  -5.962  10.956 -17.059
   64   1HH2  ARG   8          1HH2      ARG   8  -8.040  12.480 -14.696
   65   2HH2  ARG   8          2HH2      ARG   8  -7.522  12.474 -16.348
   66    H    ARG   8           H        ARG   8  -4.310   5.957 -11.634
   67    HA   ARG   8           HA       ARG   8  -6.916   6.538 -11.094
   68    HE   ARG   8           HE       ARG   8  -7.155  10.966 -13.237
   69   1HB   SER   9          2HB       SER   9  -8.417   4.074 -14.675
   70   2HB   SER   9          1HB       SER   9  -7.414   2.910 -15.541
   71    H    SER   9           H        SER   9  -5.682   3.825 -12.896
   72    HA   SER   9           HA       SER   9  -8.127   2.400 -12.674
   73    HG   SER   9           HG       SER   9  -8.955   1.306 -14.999
   74   1HA   GLY  10          2HA       GLY  10  -3.339   1.157 -14.440
   75   2HA   GLY  10          1HA       GLY  10  -4.625  -0.032 -14.439
   76    H    GLY  10           H        GLY  10  -4.855   2.712 -13.546
   77   1HB   LYS  11          2HB       LYS  11  -4.137  -3.010 -11.610
   78   2HB   LYS  11          1HB       LYS  11  -2.593  -3.715 -12.071
   79   1HG   LYS  11          2HG       LYS  11  -3.027  -4.733 -10.046
   80   2HG   LYS  11          1HG       LYS  11  -1.973  -3.396  -9.581
   81   1HD   LYS  11          2HD       LYS  11  -3.676  -3.258  -8.016
   82   2HD   LYS  11          1HD       LYS  11  -4.189  -2.095  -9.241
   83   1HE   LYS  11          2HE       LYS  11  -5.346  -4.335 -10.193
   84   2HE   LYS  11          1HE       LYS  11  -5.372  -4.682  -8.465
   85    H    LYS  11           H        LYS  11  -2.977  -1.432 -13.532
   86    HA   LYS  11           HA       LYS  11  -2.750  -1.086 -10.619
   87   1HZ   LYS  11          3HZ       LYS  11  -6.463  -2.517  -8.130
   88   2HZ   LYS  11          2HZ       LYS  11  -6.527  -2.298  -9.806
   89   3HZ   LYS  11          1HZ       LYS  11  -7.383  -3.567  -9.085
   90   1HB   TYR  12          2HB       TYR  12   0.879  -3.752 -11.438
   91   2HB   TYR  12          1HB       TYR  12   2.560  -3.263 -11.252
   92    H    TYR  12           H        TYR  12  -0.814  -1.793  -9.593
   93    HA   TYR  12           HA       TYR  12   1.458  -1.697  -9.372
   94    HD1  TYR  12           HD1      TYR  12   0.910  -2.880  -8.165
   95    HD2  TYR  12           HD2      TYR  12   2.604  -5.840 -10.712
   96    HE1  TYR  12           HE1      TYR  12   1.141  -4.394  -6.242
   97    HE2  TYR  12           HE2      TYR  12   2.838  -7.362  -8.795
   98    HH   TYR  12           HH       TYR  12   2.977  -7.276  -6.381
   99   1HB   LYS  13          2HB       LYS  13   1.940   2.216 -13.864
  100   2HB   LYS  13          1HB       LYS  13   1.550   0.509 -13.698
  101   1HG   LYS  13          2HG       LYS  13  -0.582   1.106 -13.806
  102   2HG   LYS  13          1HG       LYS  13  -0.385   1.777 -12.186
  103   1HD   LYS  13          2HD       LYS  13  -0.626   3.857 -12.943
  104   2HD   LYS  13          1HD       LYS  13   0.604   3.607 -14.184
  105   1HE   LYS  13          2HE       LYS  13  -2.321   2.897 -14.367
  106   2HE   LYS  13          1HE       LYS  13  -1.496   4.200 -15.222
  107    H    LYS  13           H        LYS  13   0.972   0.617 -10.290
  108    HA   LYS  13           HA       LYS  13   3.158   1.279 -11.986
  109   1HZ   LYS  13          2HZ       LYS  13  -0.045   2.051 -15.929
  110   2HZ   LYS  13          1HZ       LYS  13  -1.593   1.379 -15.818
  111   3HZ   LYS  13          3HZ       LYS  13  -1.312   2.695 -16.845
  112   1HB   LEU  14          2HB       LEU  14   0.505   2.710  -7.753
  113   2HB   LEU  14          1HB       LEU  14   0.826   4.307  -7.107
  114    H    LEU  14           H        LEU  14   1.758   1.918  -9.403
  115    HA   LEU  14           HA       LEU  14   1.193   4.767  -9.752
  116    HG   LEU  14           HG       LEU  14  -1.341   3.473  -9.015
  117   1HD1  LEU  14          2HD1      LEU  14  -1.158   3.985  -6.218
  118   2HD1  LEU  14          1HD1      LEU  14  -2.203   5.200  -6.957
  119   3HD1  LEU  14          3HD1      LEU  14  -2.559   3.486  -7.166
  120   1HD2  LEU  14          2HD2      LEU  14   0.078   5.783  -9.363
  121   2HD2  LEU  14          1HD2      LEU  14  -1.596   5.529  -9.855
  122   3HD2  LEU  14          3HD2      LEU  14  -1.238   6.306  -8.313
  123    H    THR  15           H        THR  15   2.312   6.376  -8.660
  124    HA   THR  15           HA       THR  15   4.974   5.579  -7.695
  125    HB   THR  15           HB       THR  15   5.730   7.816  -8.197
  126    HG1  THR  15           HG1      THR  15   3.953   9.118  -9.396
  127   1HG2  THR  15          3HG2      THR  15   4.171   6.428 -10.351
  128   2HG2  THR  15          2HG2      THR  15   5.037   7.926 -10.689
  129   3HG2  THR  15          1HG2      THR  15   5.917   6.509 -10.117
  130   1HB   TYR  16          2HB       TYR  16   6.629   7.829  -3.872
  131   2HB   TYR  16          1HB       TYR  16   6.444   9.441  -4.558
  132    H    TYR  16           H        TYR  16   5.582   8.000  -6.376
  133    HA   TYR  16           HA       TYR  16   4.195   7.534  -3.878
  134    HD1  TYR  16           HD1      TYR  16   5.164   7.485  -1.635
  135    HD2  TYR  16           HD2      TYR  16   6.602  11.212  -3.098
  136    HE1  TYR  16           HE1      TYR  16   5.016   8.423   0.630
  137    HE2  TYR  16           HE2      TYR  16   6.456  12.162  -0.834
  138    HH   TYR  16           HH       TYR  16   4.815  10.612   1.709
  139    H    ALA  17           H        ALA  17   4.918  10.413  -5.845
  140    HA   ALA  17           HA       ALA  17   3.173  12.149  -4.495
  141   1HB   ALA  17          1HB       ALA  17   5.021  12.844  -6.003
  142   2HB   ALA  17          3HB       ALA  17   4.037  12.332  -7.376
  143   3HB   ALA  17          2HB       ALA  17   3.490  13.654  -6.342
  144   1HB   GLU  18          2HB       GLU  18   1.582   8.271  -8.371
  145   2HB   GLU  18          1HB       GLU  18  -0.073   8.505  -8.917
  146   1HG   GLU  18          2HG       GLU  18   0.527  10.227 -10.375
  147   2HG   GLU  18          1HG       GLU  18   2.087  10.466  -9.592
  148    H    GLU  18           H        GLU  18   2.660   9.840  -7.054
  149    HA   GLU  18           HA       GLU  18   0.079  10.824  -7.821
  150    H    ALA  19           H        ALA  19   1.216   8.023  -5.954
  151    HA   ALA  19           HA       ALA  19  -1.245   6.963  -5.238
  152   1HB   ALA  19          1HB       ALA  19   0.260   5.494  -4.489
  153   2HB   ALA  19          2HB       ALA  19   0.345   6.493  -3.037
  154   3HB   ALA  19          3HB       ALA  19   1.509   6.731  -4.342
  155   1HB   LYS  20          2HB       LYS  20   1.396  10.722  -1.836
  156   2HB   LYS  20          1HB       LYS  20   0.612  12.031  -2.709
  157   1HG   LYS  20          2HG       LYS  20   0.021  13.075  -0.830
  158   2HG   LYS  20          1HG       LYS  20  -0.522  11.579  -0.064
  159   1HD   LYS  20          2HD       LYS  20   1.720  11.022   0.579
  160   2HD   LYS  20          1HD       LYS  20   2.371  12.376  -0.347
  161   1HE   LYS  20          2HE       LYS  20   0.588  13.629   1.288
  162   2HE   LYS  20          1HE       LYS  20   1.159  12.321   2.322
  163    H    LYS  20           H        LYS  20   0.657   9.491  -3.666
  164    HA   LYS  20           HA       LYS  20  -0.960   9.819  -1.409
  165   1HZ   LYS  20          1HZ       LYS  20   3.461  13.203   1.331
  166   2HZ   LYS  20          3HZ       LYS  20   2.579  14.647   1.324
  167   3HZ   LYS  20          2HZ       LYS  20   2.785  13.789   2.767
  168    H    ALA  21           H        ALA  21  -0.946  11.497  -4.537
  169    HA   ALA  21           HA       ALA  21  -3.018  13.309  -3.952
  170   1HB   ALA  21          1HB       ALA  21  -2.638  14.063  -6.021
  171   2HB   ALA  21          3HB       ALA  21  -1.328  12.883  -6.075
  172   3HB   ALA  21          2HB       ALA  21  -2.909  12.477  -6.743
  173    H    VAL  22           H        VAL  22  -3.067  10.096  -5.453
  174    HA   VAL  22           HA       VAL  22  -5.749   9.952  -6.143
  175    HB   VAL  22           HB       VAL  22  -3.609   8.002  -5.570
  176   1HG1  VAL  22          3HG1      VAL  22  -5.373   7.108  -4.168
  177   2HG1  VAL  22          2HG1      VAL  22  -6.509   7.189  -5.516
  178   3HG1  VAL  22          1HG1      VAL  22  -5.133   6.087  -5.587
  179   1HG2  VAL  22          2HG2      VAL  22  -4.068   8.839  -7.816
  180   2HG2  VAL  22          1HG2      VAL  22  -4.329   7.097  -7.717
  181   3HG2  VAL  22          3HG2      VAL  22  -5.709   8.196  -7.725
  182   1HB   CYS  23          2HB       CYS  23  -3.695   9.273  -1.018
  183   2HB   CYS  23          1HB       CYS  23  -4.875   9.527   0.263
  184    H    CYS  23           H        CYS  23  -4.157   9.396  -3.061
  185    HA   CYS  23           HA       CYS  23  -6.393   8.332  -1.689
  186   1HB   GLU  24          2HB       GLU  24  -5.213  14.211  -2.003
  187   2HB   GLU  24          1HB       GLU  24  -5.900  14.836  -0.512
  188   1HG   GLU  24          2HG       GLU  24  -4.349  13.741   0.816
  189   2HG   GLU  24          1HG       GLU  24  -3.941  12.582  -0.449
  190    H    GLU  24           H        GLU  24  -4.911  11.562  -1.560
  191    HA   GLU  24           HA       GLU  24  -6.921  12.749   0.002
  192   1HB   PHE  25          2HB       PHE  25  -7.136  12.965  -5.639
  193   2HB   PHE  25          1HB       PHE  25  -7.875  11.367  -5.624
  194    H    PHE  25           H        PHE  25  -6.912  11.827  -3.274
  195    HA   PHE  25           HA       PHE  25  -8.945  13.737  -4.080
  196    HD1  PHE  25           HD1      PHE  25  -8.295  14.860  -6.679
  197    HD2  PHE  25           HD2      PHE  25  -9.866  10.908  -6.853
  198    HE1  PHE  25           HE1      PHE  25  -9.791  15.540  -8.509
  199    HE2  PHE  25           HE2      PHE  25 -11.365  11.581  -8.684
  200    HZ   PHE  25           HZ       PHE  25 -11.329  13.900  -9.514
  201   1HB   GLU  26          2HB       GLU  26  -9.153   8.195  -2.830
  202   2HB   GLU  26          1HB       GLU  26 -10.789   7.589  -2.633
  203   1HG   GLU  26          2HG       GLU  26 -10.973   8.235  -5.179
  204   2HG   GLU  26          1HG       GLU  26  -9.221   8.047  -5.109
  205    H    GLU  26           H        GLU  26  -8.680  10.380  -3.130
  206    HA   GLU  26           HA       GLU  26 -11.472   9.852  -3.752
  207   1HA   GLY  27          1HA       GLY  27 -12.058  10.797   0.563
  208   2HA   GLY  27          2HA       GLY  27 -10.932  12.142   0.648
  209    H    GLY  27           H        GLY  27  -9.863  11.325  -1.298
  210   1HA   GLY  28          2HA       GLY  28  -8.140   8.955   2.393
  211   2HA   GLY  28          1HA       GLY  28  -8.284  10.316   3.498
  212    H    GLY  28           H        GLY  28  -8.588  11.406   0.992
  213   1HB   HIS  29          2HB       HIS  29  -2.926  10.448   4.286
  214   2HB   HIS  29          1HB       HIS  29  -3.384  11.799   3.253
  215    H    HIS  29           H        HIS  29  -5.948   8.933   3.437
  216    HA   HIS  29           HA       HIS  29  -4.094  10.357   1.700
  217    HD1  HIS  29           HD1      HIS  29  -4.876   9.575   5.936
  218    HD2  HIS  29           HD2      HIS  29  -5.446  13.308   4.200
  219    HE1  HIS  29           HE1      HIS  29  -6.657  10.692   7.314
  220    HE2  HIS  29           HE2      HIS  29  -7.054  12.909   6.187
  221   1HB   LEU  30          2HB       LEU  30   0.365   8.859   2.201
  222   2HB   LEU  30          1HB       LEU  30   0.800   7.163   2.202
  223    H    LEU  30           H        LEU  30  -1.797   9.555   2.081
  224    HA   LEU  30           HA       LEU  30  -1.738   6.760   1.804
  225    HG   LEU  30           HG       LEU  30  -0.544   8.619  -0.077
  226   1HD1  LEU  30          2HD1      LEU  30   1.972   9.021   0.561
  227   2HD1  LEU  30          1HD1      LEU  30   2.192   7.457  -0.225
  228   3HD1  LEU  30          3HD1      LEU  30   1.485   8.802  -1.120
  229   1HD2  LEU  30          2HD2      LEU  30  -0.853   6.024   0.416
  230   2HD2  LEU  30          1HD2      LEU  30  -0.682   6.663  -1.218
  231   3HD2  LEU  30          3HD2      LEU  30   0.711   5.956  -0.400
  232    H    ALA  31           H        ALA  31  -2.044   5.296   3.343
  233    HA   ALA  31           HA       ALA  31  -2.065   5.825   6.091
  234   1HB   ALA  31          2HB       ALA  31  -2.156   3.385   4.419
  235   2HB   ALA  31          1HB       ALA  31  -1.745   3.186   6.124
  236   3HB   ALA  31          3HB       ALA  31  -3.268   3.951   5.667
  237    H    THR  32           H        THR  32  -0.682   3.817   7.327
  238    HA   THR  32           HA       THR  32   2.145   4.363   6.734
  239    HB   THR  32           HB       THR  32   2.609   5.242   8.742
  240    HG1  THR  32           HG1      THR  32   2.184   4.170  10.555
  241   1HG2  THR  32          1HG2      THR  32   0.139   6.095   7.957
  242   2HG2  THR  32          3HG2      THR  32  -0.169   5.579   9.616
  243   3HG2  THR  32          2HG2      THR  32   1.069   6.790   9.284
  244   1HB   TYR  33          2HB       TYR  33   5.322   1.263   7.755
  245   2HB   TYR  33          1HB       TYR  33   4.962   1.051   9.462
  246    H    TYR  33           H        TYR  33   3.625   2.842   7.871
  247    HA   TYR  33           HA       TYR  33   3.057   0.196   7.285
  248    HD1  TYR  33           HD1      TYR  33   5.651  -0.721   6.304
  249    HD2  TYR  33           HD2      TYR  33   5.114  -1.091  10.508
  250    HE1  TYR  33           HE1      TYR  33   6.537  -3.012   6.210
  251    HE2  TYR  33           HE2      TYR  33   6.000  -3.383  10.425
  252    HH   TYR  33           HH       TYR  33   7.700  -4.607   7.885
  253   1HB   LYS  34          2HB       LYS  34   3.072   1.818  12.825
  254   2HB   LYS  34          1HB       LYS  34   1.442   2.402  12.530
  255   1HG   LYS  34          2HG       LYS  34   0.535   0.982  14.192
  256   2HG   LYS  34          1HG       LYS  34   2.043   0.076  14.333
  257   1HD   LYS  34          2HD       LYS  34   2.791   1.487  15.878
  258   2HD   LYS  34          1HD       LYS  34   2.556   2.855  14.787
  259   1HE   LYS  34          2HE       LYS  34   0.490   1.636  16.614
  260   2HE   LYS  34          1HE       LYS  34   1.297   3.188  16.830
  261    H    LYS  34           H        LYS  34   3.120   1.713  10.500
  262    HA   LYS  34           HA       LYS  34   2.281  -0.447  12.004
  263   1HZ   LYS  34          3HZ       LYS  34   0.254   3.431  14.365
  264   2HZ   LYS  34          2HZ       LYS  34  -0.927   2.493  15.131
  265   3HZ   LYS  34          1HZ       LYS  34  -0.486   3.992  15.779
  266   1HB   GLN  35          2HB       GLN  35  -1.447   2.501   8.676
  267   2HB   GLN  35          1HB       GLN  35  -3.081   2.331   9.292
  268   1HG   GLN  35          2HG       GLN  35  -2.425   3.615  11.296
  269   2HG   GLN  35          1HG       GLN  35  -0.832   3.853  10.580
  270   1HE2  GLN  35          1HE2      GLN  35  -2.868   5.803  11.347
  271   2HE2  GLN  35          2HE2      GLN  35  -3.216   6.714   9.921
  272    H    GLN  35           H        GLN  35   0.294   2.037  10.420
  273    HA   GLN  35           HA       GLN  35  -2.201   1.109  11.253
  274   1HB   LEU  36          2HB       LEU  36   0.895  -0.984   7.190
  275   2HB   LEU  36          1HB       LEU  36   0.622  -2.709   7.057
  276    H    LEU  36           H        LEU  36  -0.087   0.089   8.653
  277    HA   LEU  36           HA       LEU  36  -1.929  -1.509   7.237
  278    HG   LEU  36           HG       LEU  36   0.784  -1.730   4.851
  279   1HD1  LEU  36          1HD1      LEU  36  -1.234  -3.380   5.710
  280   2HD1  LEU  36          3HD1      LEU  36  -2.099  -2.135   4.810
  281   3HD1  LEU  36          2HD1      LEU  36  -0.813  -3.054   4.029
  282   1HD2  LEU  36          2HD2      LEU  36  -0.638   0.407   6.035
  283   2HD2  LEU  36          1HD2      LEU  36   0.032   0.305   4.406
  284   3HD2  LEU  36          3HD2      LEU  36  -1.624  -0.220   4.713
  285   1HB   GLU  37          2HB       GLU  37   1.453  -3.577  11.500
  286   2HB   GLU  37          1HB       GLU  37   0.142  -2.903  12.451
  287   1HG   GLU  37          2HG       GLU  37  -0.428  -5.377  12.955
  288   2HG   GLU  37          1HG       GLU  37   1.233  -5.678  12.446
  289    H    GLU  37           H        GLU  37   0.102  -2.102  10.032
  290    HA   GLU  37           HA       GLU  37  -0.194  -4.893  10.200
  291    H    ALA  38           H        ALA  38  -1.885  -2.320  11.953
  292    HA   ALA  38           HA       ALA  38  -3.756  -3.839  13.302
  293   1HB   ALA  38          3HB       ALA  38  -3.386  -1.397  13.600
  294   2HB   ALA  38          1HB       ALA  38  -5.089  -1.842  13.486
  295   3HB   ALA  38          2HB       ALA  38  -4.271  -1.121  12.100
  296    H    ALA  39           H        ALA  39  -3.641  -2.879   9.967
  297    HA   ALA  39           HA       ALA  39  -6.337  -3.579   9.317
  298   1HB   ALA  39          1HB       ALA  39  -3.968  -3.340   7.468
  299   2HB   ALA  39          2HB       ALA  39  -4.964  -1.984   7.999
  300   3HB   ALA  39          3HB       ALA  39  -5.672  -3.272   7.022
  301   1HB   ARG  40          2HB       ARG  40  -1.753  -6.859   8.255
  302   2HB   ARG  40          1HB       ARG  40  -1.828  -7.298   9.956
  303   1HG   ARG  40          2HG       ARG  40  -2.761  -9.528   8.524
  304   2HG   ARG  40          1HG       ARG  40  -1.324  -8.952   7.678
  305   1HD   ARG  40          2HD       ARG  40   0.033  -9.659   9.301
  306   2HD   ARG  40          1HD       ARG  40  -0.979  -8.954  10.561
  307   1HH1  ARG  40          1HH1      ARG  40  -0.947  -9.581  12.123
  308   2HH1  ARG  40          2HH1      ARG  40  -1.362 -10.819  13.261
  309   1HH2  ARG  40          2HH2      ARG  40  -2.215 -13.177  10.825
  310   2HH2  ARG  40          1HH2      ARG  40  -2.082 -12.863  12.524
  311    H    ARG  40           H        ARG  40  -3.288  -5.242   9.485
  312    HA   ARG  40           HA       ARG  40  -4.141  -7.564   8.027
  313    HE   ARG  40           HE       ARG  40  -1.666 -11.538   9.334
  314   1HB   LYS  41          2HB       LYS  41  -5.641  -6.351  13.465
  315   2HB   LYS  41          1HB       LYS  41  -5.325  -7.719  14.521
  316   1HG   LYS  41          2HG       LYS  41  -2.862  -7.403  13.781
  317   2HG   LYS  41          1HG       LYS  41  -3.400  -5.794  13.296
  318   1HD   LYS  41          2HD       LYS  41  -3.390  -5.081  15.404
  319   2HD   LYS  41          1HD       LYS  41  -4.378  -6.448  15.926
  320   1HE   LYS  41          2HE       LYS  41  -2.527  -6.951  17.121
  321   2HE   LYS  41          1HE       LYS  41  -2.032  -7.699  15.603
  322    H    LYS  41           H        LYS  41  -4.016  -6.587  11.392
  323    HA   LYS  41           HA       LYS  41  -4.425  -8.996  12.668
  324   1HZ   LYS  41          1HZ       LYS  41  -1.370  -4.892  16.269
  325   2HZ   LYS  41          3HZ       LYS  41  -0.367  -6.183  16.705
  326   3HZ   LYS  41          2HZ       LYS  41  -0.684  -5.871  15.074
  327   1HG1  ILE  42          1HG1      ILE  42  -8.194  -5.495   9.349
  328   2HG1  ILE  42          2HG1      ILE  42  -8.097  -7.106   8.645
  329    H    ILE  42           H        ILE  42  -6.588  -7.251  10.644
  330    HA   ILE  42           HA       ILE  42  -8.906  -8.733  11.656
  331    HB   ILE  42           HB       ILE  42 -10.286  -7.279  10.334
  332   1HG2  ILE  42          2HG2      ILE  42  -9.417  -6.451  12.507
  333   2HG2  ILE  42          1HG2      ILE  42  -8.145  -5.601  11.629
  334   3HG2  ILE  42          3HG2      ILE  42  -9.835  -5.164  11.376
  335   1HD1  ILE  42          1HD1      ILE  42 -10.808  -6.094   8.678
  336   2HD1  ILE  42          3HD1      ILE  42  -9.703  -5.041   7.795
  337   3HD1  ILE  42          2HD1      ILE  42  -9.852  -6.740   7.343
  338   1HA   GLY  43          1HA       GLY  43  -8.328 -10.597   7.548
  339   2HA   GLY  43          2HA       GLY  43  -6.575 -10.623   7.673
  340    H    GLY  43           H        GLY  43  -6.809  -8.439   8.880
  341   1HB   PHE  44          2HB       PHE  44  -6.714  -5.569   6.325
  342   2HB   PHE  44          1HB       PHE  44  -5.002  -5.866   6.054
  343    H    PHE  44           H        PHE  44  -6.031  -7.953   7.154
  344    HA   PHE  44           HA       PHE  44  -7.217  -7.305   4.582
  345    HD1  PHE  44           HD1      PHE  44  -7.437  -5.936   3.321
  346    HD2  PHE  44           HD2      PHE  44  -4.555  -3.602   5.399
  347    HE1  PHE  44           HE1      PHE  44  -7.462  -4.289   1.493
  348    HE2  PHE  44           HE2      PHE  44  -4.571  -1.948   3.578
  349    HZ   PHE  44           HZ       PHE  44  -6.028  -2.291   1.621
  350   1HB   HIS  45          2HB       HIS  45  -4.481 -11.529   3.423
  351   2HB   HIS  45          1HB       HIS  45  -5.882 -11.173   2.421
  352    H    HIS  45           H        HIS  45  -6.411  -9.250   3.538
  353    HA   HIS  45           HA       HIS  45  -3.542  -9.409   3.080
  354    HD1  HIS  45           HD1      HIS  45  -5.756 -12.846   0.596
  355    HD2  HIS  45           HD2      HIS  45  -2.081 -11.051   1.316
  356    HE1  HIS  45           HE1      HIS  45  -4.213 -13.731  -1.179
  357    HE2  HIS  45           HE2      HIS  45  -2.020 -12.560  -0.780
  358    H    VAL  46           H        VAL  46  -2.618  -8.315   1.493
  359    HA   VAL  46           HA       VAL  46  -3.900  -8.163  -1.116
  360    HB   VAL  46           HB       VAL  46  -2.971  -5.675   0.327
  361   1HG1  VAL  46          1HG1      VAL  46  -3.379  -6.291  -2.479
  362   2HG1  VAL  46          3HG1      VAL  46  -4.366  -4.933  -1.940
  363   3HG1  VAL  46          2HG1      VAL  46  -2.616  -4.889  -1.730
  364   1HG2  VAL  46          1HG2      VAL  46  -5.504  -6.992   0.289
  365   2HG2  VAL  46          3HG2      VAL  46  -5.041  -5.499   1.105
  366   3HG2  VAL  46          2HG2      VAL  46  -5.639  -5.449  -0.553
  367   1HB   CYS  47          2HB       CYS  47   0.596 -10.354  -3.410
  368   2HB   CYS  47          1HB       CYS  47  -1.164 -10.403  -3.382
  369    H    CYS  47           H        CYS  47  -2.427  -8.745  -2.569
  370    HA   CYS  47           HA       CYS  47   0.390  -8.700  -1.898
  371    H    ALA  48           H        ALA  48  -1.684  -6.458  -3.090
  372    HA   ALA  48           HA       ALA  48   0.129  -5.324  -5.069
  373   1HB   ALA  48          1HB       ALA  48  -2.534  -5.394  -5.064
  374   2HB   ALA  48          2HB       ALA  48  -1.622  -4.095  -5.833
  375   3HB   ALA  48          3HB       ALA  48  -2.305  -3.859  -4.224
  376    H    ALA  49           H        ALA  49   1.882  -4.750  -3.759
  377    HA   ALA  49           HA       ALA  49   2.005  -3.497  -1.378
  378   1HB   ALA  49          3HB       ALA  49   4.142  -3.566  -1.967
  379   2HB   ALA  49          2HB       ALA  49   3.719  -3.675  -3.676
  380   3HB   ALA  49          1HB       ALA  49   3.882  -2.096  -2.906
  381   1HA   GLY  50          2HA       GLY  50  -0.339   0.123  -0.728
  382   2HA   GLY  50          1HA       GLY  50   0.336   0.451  -2.318
  383    H    GLY  50           H        GLY  50   1.284  -1.670  -0.499
  384   1HB   TRP  51          2HB       TRP  51   1.744   4.671  -2.365
  385   2HB   TRP  51          1HB       TRP  51   3.158   5.317  -1.535
  386    H    TRP  51           H        TRP  51   1.316   2.359  -2.303
  387    HA   TRP  51           HA       TRP  51   3.602   2.895  -0.794
  388    HD1  TRP  51           HD1      TRP  51   2.137   3.315  -4.589
  389    HE1  TRP  51           HE1      TRP  51   4.206   2.929  -6.074
  390    HE3  TRP  51           HE3      TRP  51   5.758   5.030  -1.410
  391    HZ2  TRP  51           HZ2      TRP  51   6.997   3.311  -5.924
  392    HZ3  TRP  51           HZ3      TRP  51   8.101   4.987  -2.160
  393    HH2  TRP  51           HH2      TRP  51   8.705   4.145  -4.370
  394   1HB   MET  52          2HB       MET  52   2.749   4.327   4.549
  395   2HB   MET  52          1HB       MET  52   1.876   3.235   3.484
  396   1HG   MET  52          2HG       MET  52   3.947   2.398   2.578
  397   2HG   MET  52          1HG       MET  52   4.867   3.565   3.525
  398    H    MET  52           H        MET  52   4.004   4.316   0.929
  399    HA   MET  52           HA       MET  52   1.723   5.333   2.434
  400   1HE   MET  52          1HE       MET  52   4.694   0.255   3.151
  401   2HE   MET  52          3HE       MET  52   4.294  -0.583   4.651
  402   3HE   MET  52          2HE       MET  52   3.006   0.047   3.623
  403    H    ALA  53           H        ALA  53   2.945   6.125   4.720
  404    HA   ALA  53           HA       ALA  53   4.188   8.500   4.050
  405   1HB   ALA  53          3HB       ALA  53   4.668   8.783   6.355
  406   2HB   ALA  53          1HB       ALA  53   4.662   7.044   6.641
  407   3HB   ALA  53          2HB       ALA  53   3.157   7.879   6.262
  408   1HB   LYS  54          2HB       LYS  54   8.049   7.047   5.713
  409   2HB   LYS  54          1HB       LYS  54   9.203   6.439   4.535
  410   1HG   LYS  54          2HG       LYS  54  10.875   7.631   5.396
  411   2HG   LYS  54          1HG       LYS  54   9.888   9.085   5.533
  412   1HD   LYS  54          2HD       LYS  54   9.964   8.763   7.740
  413   2HD   LYS  54          1HD       LYS  54   8.852   7.419   7.475
  414   1HE   LYS  54          2HE       LYS  54  10.762   5.901   7.226
  415   2HE   LYS  54          1HE       LYS  54  11.863   7.248   7.516
  416    H    LYS  54           H        LYS  54   6.343   9.245   4.218
  417    HA   LYS  54           HA       LYS  54   8.597   9.180   3.938
  418   1HZ   LYS  54          3HZ       LYS  54   9.806   6.378   9.465
  419   2HZ   LYS  54          2HZ       LYS  54  11.402   5.818   9.486
  420   3HZ   LYS  54          1HZ       LYS  54  11.081   7.460   9.726
  421   1HA   GLY  55          1HA       GLY  55   8.234   7.039   0.031
  422   2HA   GLY  55          2HA       GLY  55   6.521   6.646   0.049
  423    H    GLY  55           H        GLY  55   6.451   7.198   2.315
  424   1HB   ARG  56          2HB       ARG  56   7.951   3.398   3.909
  425   2HB   ARG  56          1HB       ARG  56   6.446   2.523   3.661
  426   1HG   ARG  56          2HG       ARG  56   7.646   0.484   3.221
  427   2HG   ARG  56          1HG       ARG  56   9.190   1.336   3.298
  428   1HD   ARG  56          2HD       ARG  56   7.368   1.526   5.638
  429   2HD   ARG  56          1HD       ARG  56   8.215   0.003   5.372
  430   1HH1  ARG  56          1HH1      ARG  56   8.484  -0.128   7.297
  431   2HH1  ARG  56          2HH1      ARG  56   9.683   0.009   8.539
  432   1HH2  ARG  56          1HH2      ARG  56  11.491   2.524   6.916
  433   2HH2  ARG  56          2HH2      ARG  56  11.394   1.519   8.321
  434    H    ARG  56           H        ARG  56   6.696   4.856   2.316
  435    HA   ARG  56           HA       ARG  56   8.499   2.739   1.473
  436    HE   ARG  56           HE       ARG  56   9.907   2.335   5.287
  437    H    VAL  57           H        VAL  57   7.803   0.634   0.890
  438    HA   VAL  57           HA       VAL  57   4.994   0.426   0.048
  439    HB   VAL  57           HB       VAL  57   5.449   0.076  -2.117
  440   1HG1  VAL  57          1HG1      VAL  57   8.011   1.291  -1.146
  441   2HG1  VAL  57          3HG1      VAL  57   7.750   0.949  -2.857
  442   3HG1  VAL  57          2HG1      VAL  57   6.672   2.054  -2.004
  443   1HG2  VAL  57          1HG2      VAL  57   7.712  -1.615  -1.113
  444   2HG2  VAL  57          3HG2      VAL  57   6.263  -2.100  -1.993
  445   3HG2  VAL  57          2HG2      VAL  57   7.553  -1.238  -2.829
  446   1HA   GLY  58          2HA       GLY  58   4.976  -3.406   2.030
  447   2HA   GLY  58          1HA       GLY  58   5.560  -4.013   0.488
  448    H    GLY  58           H        GLY  58   4.105  -1.629   0.063
  449   1HB   TYR  59          2HB       TYR  59   1.383  -7.411  -0.933
  450   2HB   TYR  59          1HB       TYR  59   1.729  -5.796  -1.542
  451    H    TYR  59           H        TYR  59   4.165  -5.856   1.042
  452    HA   TYR  59           HA       TYR  59   1.308  -5.338   0.680
  453    HD1  TYR  59           HD1      TYR  59   4.170  -5.101  -1.793
  454    HD2  TYR  59           HD2      TYR  59   2.978  -9.136  -1.112
  455    HE1  TYR  59           HE1      TYR  59   6.343  -5.880  -2.631
  456    HE2  TYR  59           HE2      TYR  59   5.147  -9.919  -1.961
  457    HH   TYR  59           HH       TYR  59   7.101  -8.326  -3.779
  458   1HB   PRO  60          2HB       PRO  60  -0.824  -7.910   4.980
  459   2HB   PRO  60          1HB       PRO  60   0.572  -6.950   5.471
  460   1HG   PRO  60          2HG       PRO  60  -1.533  -6.339   3.449
  461   2HG   PRO  60          1HG       PRO  60  -0.742  -5.258   4.609
  462   1HD   PRO  60          1HD       PRO  60  -0.077  -5.324   1.986
  463   2HD   PRO  60          2HD       PRO  60   1.102  -4.957   3.261
  464    HA   PRO  60           HA       PRO  60   1.733  -8.339   4.078
  465   1HG1  ILE  61          2HG1      ILE  61   2.536 -10.531   1.167
  466   2HG1  ILE  61          1HG1      ILE  61   2.670 -11.642  -0.193
  467    H    ILE  61           H        ILE  61   1.748 -10.257   2.959
  468    HA   ILE  61           HA       ILE  61  -0.690 -11.148   1.631
  469    HB   ILE  61           HB       ILE  61   1.805 -12.793   1.792
  470   1HG2  ILE  61          1HG2      ILE  61  -0.671 -13.037   0.512
  471   2HG2  ILE  61          3HG2      ILE  61   0.491 -12.647  -0.757
  472   3HG2  ILE  61          2HG2      ILE  61   0.758 -14.045   0.285
  473   1HD1  ILE  61          2HD1      ILE  61   0.248 -10.693  -0.703
  474   2HD1  ILE  61          1HD1      ILE  61   0.896  -9.314   0.185
  475   3HD1  ILE  61          3HD1      ILE  61   1.719  -9.897  -1.261
  476    H    VAL  62           H        VAL  62  -2.167 -12.004   2.934
  477    HA   VAL  62           HA       VAL  62  -1.335 -13.681   5.183
  478    HB   VAL  62           HB       VAL  62  -4.151 -12.839   4.516
  479   1HG1  VAL  62          1HG1      VAL  62  -2.875 -14.360   6.640
  480   2HG1  VAL  62          3HG1      VAL  62  -3.866 -13.034   7.249
  481   3HG1  VAL  62          2HG1      VAL  62  -4.577 -14.251   6.190
  482   1HG2  VAL  62          1HG2      VAL  62  -1.947 -11.296   5.752
  483   2HG2  VAL  62          3HG2      VAL  62  -3.331 -10.742   4.810
  484   3HG2  VAL  62          2HG2      VAL  62  -3.536 -11.175   6.507
  485   1HB   LYS  63          2HB       LYS  63  -5.146 -14.986   1.876
  486   2HB   LYS  63          1HB       LYS  63  -4.601 -15.270   0.230
  487   1HG   LYS  63          2HG       LYS  63  -5.275 -17.463   0.236
  488   2HG   LYS  63          1HG       LYS  63  -5.139 -17.611   1.990
  489   1HD   LYS  63          2HD       LYS  63  -7.161 -15.740   0.851
  490   2HD   LYS  63          1HD       LYS  63  -7.491 -17.472   0.823
  491   1HE   LYS  63          2HE       LYS  63  -7.274 -17.613   3.206
  492   2HE   LYS  63          1HE       LYS  63  -6.720 -15.944   3.301
  493    H    LYS  63           H        LYS  63  -2.682 -13.851   2.023
  494    HA   LYS  63           HA       LYS  63  -3.182 -16.731   2.394
  495   1HZ   LYS  63          1HZ       LYS  63  -9.370 -16.575   2.175
  496   2HZ   LYS  63          3HZ       LYS  63  -9.154 -16.470   3.851
  497   3HZ   LYS  63          2HZ       LYS  63  -8.825 -15.132   2.869
  498   1HB   PRO  64          2HB       PRO  64   0.119 -19.374   0.004
  499   2HB   PRO  64          1HB       PRO  64   1.570 -18.369   0.013
  500   1HG   PRO  64          2HG       PRO  64   0.469 -19.224   2.290
  501   2HG   PRO  64          1HG       PRO  64   1.194 -17.613   2.165
  502   1HD   PRO  64          1HD       PRO  64  -1.673 -18.400   2.254
  503   2HD   PRO  64          2HD       PRO  64  -0.883 -16.928   2.855
  504    HA   PRO  64           HA       PRO  64   0.403 -16.447  -0.472
  505   1HA   GLY  65          2HA       GLY  65  -1.972 -16.900  -4.113
  506   2HA   GLY  65          1HA       GLY  65  -1.263 -18.504  -4.004
  507    H    GLY  65           H        GLY  65   0.214 -16.432  -2.616
  508   1HB   PRO  66          2HB       PRO  66   0.026 -17.975  -9.515
  509   2HB   PRO  66          1HB       PRO  66   0.551 -19.297  -8.467
  510   1HG   PRO  66          2HG       PRO  66  -2.100 -17.911  -8.589
  511   2HG   PRO  66          1HG       PRO  66  -1.750 -19.643  -8.438
  512   1HD   PRO  66          1HD       PRO  66  -2.438 -18.086  -6.320
  513   2HD   PRO  66          2HD       PRO  66  -1.369 -19.496  -6.172
  514    HA   PRO  66           HA       PRO  66   1.511 -17.569  -7.289
  515   1HB   ASN  67          2HB       ASN  67  -0.597 -14.087 -10.012
  516   2HB   ASN  67          1HB       ASN  67   0.558 -13.057 -10.854
  517   1HD2  ASN  67          1HD2      ASN  67  -1.033 -15.990 -10.870
  518   2HD2  ASN  67          2HD2      ASN  67  -0.098 -16.790 -12.082
  519    H    ASN  67           H        ASN  67   2.209 -15.945  -8.645
  520    HA   ASN  67           HA       ASN  67   2.364 -13.829  -9.469
  521   1HB   CYS  68          2HB       CYS  68  -1.048 -13.270  -6.048
  522   2HB   CYS  68          1HB       CYS  68  -0.835 -12.485  -4.487
  523    H    CYS  68           H        CYS  68   1.754 -14.155  -6.644
  524    HA   CYS  68           HA       CYS  68   1.236 -11.447  -5.996
  525   1HA   GLY  69          2HA       GLY  69   1.108 -15.309  -2.286
  526   2HA   GLY  69          1HA       GLY  69   1.550 -13.667  -1.836
  527    H    GLY  69           H        GLY  69   0.301 -14.387  -4.229
  528   1HB   PHE  70          2HB       PHE  70   5.464 -12.564  -0.999
  529   2HB   PHE  70          1HB       PHE  70   6.591 -13.735  -0.321
  530    H    PHE  70           H        PHE  70   3.591 -13.646  -1.175
  531    HA   PHE  70           HA       PHE  70   5.677 -14.549  -2.952
  532    HD1  PHE  70           HD1      PHE  70   5.952 -11.565  -3.244
  533    HD2  PHE  70           HD2      PHE  70   8.800 -13.885  -1.096
  534    HE1  PHE  70           HE1      PHE  70   7.756 -10.624  -4.627
  535    HE2  PHE  70           HE2      PHE  70  10.610 -12.948  -2.474
  536    HZ   PHE  70           HZ       PHE  70  10.088 -11.314  -4.243
  537   1HA   GLY  71          1HA       GLY  71   5.939 -18.010  -0.081
  538   2HA   GLY  71          2HA       GLY  71   4.288 -18.477  -0.468
  539    H    GLY  71           H        GLY  71   3.805 -16.054  -0.681
  540   1HB   LYS  72          2HB       LYS  72   6.143 -15.994   5.376
  541   2HB   LYS  72          1HB       LYS  72   7.116 -17.121   4.441
  542   1HG   LYS  72          2HG       LYS  72   6.629 -15.085   2.657
  543   2HG   LYS  72          1HG       LYS  72   6.847 -14.242   4.193
  544   1HD   LYS  72          2HD       LYS  72   9.026 -14.894   4.402
  545   2HD   LYS  72          1HD       LYS  72   8.775 -16.395   3.509
  546   1HE   LYS  72          2HE       LYS  72   9.973 -15.237   1.955
  547   2HE   LYS  72          1HE       LYS  72   8.348 -14.712   1.514
  548    H    LYS  72           H        LYS  72   6.168 -16.574   1.856
  549    HA   LYS  72           HA       LYS  72   4.892 -17.806   4.083
  550   1HZ   LYS  72          3HZ       LYS  72   9.842 -13.153   3.500
  551   2HZ   LYS  72          2HZ       LYS  72  10.254 -12.988   1.868
  552   3HZ   LYS  72          1HZ       LYS  72   8.681 -12.640   2.381
  553    H    THR  73           H        THR  73   4.231 -16.074   5.926
  554    HA   THR  73           HA       THR  73   2.123 -14.401   4.720
  555    HB   THR  73           HB       THR  73   0.778 -14.794   6.745
  556    HG1  THR  73           HG1      THR  73   2.156 -15.331   8.343
  557   1HG2  THR  73          2HG2      THR  73   1.673 -17.100   5.063
  558   2HG2  THR  73          1HG2      THR  73   0.519 -17.364   6.371
  559   3HG2  THR  73          3HG2      THR  73   0.130 -16.246   5.062
  560   1HA   GLY  74          2HA       GLY  74   4.080 -11.359   7.189
  561   2HA   GLY  74          1HA       GLY  74   2.403 -10.872   7.403
  562    H    GLY  74           H        GLY  74   2.105 -12.300   5.234
  563   1HG1  ILE  75          1HG1      ILE  75   1.990  -5.553   5.542
  564   2HG1  ILE  75          2HG1      ILE  75   1.820  -6.552   6.982
  565    H    ILE  75           H        ILE  75   3.575  -8.722   7.227
  566    HA   ILE  75           HA       ILE  75   2.952  -7.544   4.742
  567    HB   ILE  75           HB       ILE  75   4.266  -6.597   7.241
  568   1HG2  ILE  75          3HG2      ILE  75   4.504  -5.254   4.569
  569   2HG2  ILE  75          2HG2      ILE  75   4.532  -4.334   6.073
  570   3HG2  ILE  75          1HG2      ILE  75   5.759  -5.564   5.768
  571   1HD1  ILE  75          3HD1      ILE  75   3.012  -4.687   8.224
  572   2HD1  ILE  75          2HD1      ILE  75   2.731  -3.706   6.786
  573   3HD1  ILE  75          1HD1      ILE  75   1.365  -4.372   7.681
  574   1HG1  ILE  76          2HG1      ILE  76   4.152  -9.398   2.245
  575   2HG1  ILE  76          1HG1      ILE  76   4.091  -9.740   0.520
  576    H    ILE  76           H        ILE  76   4.057  -7.619   2.909
  577    HA   ILE  76           HA       ILE  76   6.877  -8.364   2.947
  578    HB   ILE  76           HB       ILE  76   5.361  -7.847   0.425
  579   1HG2  ILE  76          1HG2      ILE  76   7.805  -8.377   0.481
  580   2HG2  ILE  76          3HG2      ILE  76   7.380  -9.974   1.101
  581   3HG2  ILE  76          2HG2      ILE  76   6.828  -9.472  -0.498
  582   1HD1  ILE  76          2HD1      ILE  76   6.385 -10.917   1.886
  583   2HD1  ILE  76          1HD1      ILE  76   4.817 -11.512   2.433
  584   3HD1  ILE  76          3HD1      ILE  76   5.257 -11.623   0.728
  585   1HB   ASP  77          2HB       ASP  77   6.649  -3.143   3.348
  586   2HB   ASP  77          1HB       ASP  77   7.342  -4.107   4.647
  587    H    ASP  77           H        ASP  77   7.766  -6.411   3.721
  588    HA   ASP  77           HA       ASP  77   7.807  -4.261   1.710
  589   1HB   TYR  78          2HB       TYR  78  11.339  -4.845  -0.517
  590   2HB   TYR  78          1HB       TYR  78  12.922  -4.156  -0.173
  591    H    TYR  78           H        TYR  78   9.753  -4.324   0.805
  592    HA   TYR  78           HA       TYR  78  12.064  -5.268   2.253
  593    HD1  TYR  78           HD1      TYR  78  14.706  -5.637   0.812
  594    HD2  TYR  78           HD2      TYR  78  11.050  -7.180  -0.719
  595    HE1  TYR  78           HE1      TYR  78  15.721  -7.871   0.658
  596    HE2  TYR  78           HE2      TYR  78  12.054  -9.420  -0.877
  597    HH   TYR  78           HH       TYR  78  14.795 -10.319   0.666
  598   1HA   GLY  79          2HA       GLY  79  12.903  -1.123   3.507
  599   2HA   GLY  79          1HA       GLY  79  11.232  -0.605   3.718
  600    H    GLY  79           H        GLY  79  10.554  -2.583   2.729
  601   1HG1  ILE  80          1HG1      ILE  80  11.250   3.002   3.244
  602   2HG1  ILE  80          2HG1      ILE  80  12.122   4.481   3.633
  603    H    ILE  80           H        ILE  80  12.192   1.504   3.087
  604    HA   ILE  80           HA       ILE  80  11.427   2.299   0.569
  605    HB   ILE  80           HB       ILE  80  13.628   3.615   2.155
  606   1HG2  ILE  80          2HG2      ILE  80  11.673   4.629   0.102
  607   2HG2  ILE  80          1HG2      ILE  80  12.655   5.682   1.121
  608   3HG2  ILE  80          3HG2      ILE  80  13.432   4.578  -0.014
  609   1HD1  ILE  80          2HD1      ILE  80   9.933   4.240   1.585
  610   2HD1  ILE  80          1HD1      ILE  80   9.754   4.886   3.217
  611   3HD1  ILE  80          3HD1      ILE  80  10.776   5.718   2.045
  612   1HB   ARG  81          2HB       ARG  81  13.314   1.953  -4.051
  613   2HB   ARG  81          1HB       ARG  81  14.356   0.555  -3.825
  614   1HG   ARG  81          2HG       ARG  81  11.845   0.858  -2.229
  615   2HG   ARG  81          1HG       ARG  81  11.806   0.217  -3.872
  616   1HD   ARG  81          2HD       ARG  81  13.621  -0.891  -1.745
  617   2HD   ARG  81          1HD       ARG  81  11.974  -1.476  -1.984
  618   1HH1  ARG  81          1HH1      ARG  81  14.719  -2.216  -1.496
  619   2HH1  ARG  81          2HH1      ARG  81  15.767  -3.415  -2.177
  620   1HH2  ARG  81          1HH2      ARG  81  14.187  -3.443  -5.296
  621   2HH2  ARG  81          2HH2      ARG  81  15.465  -4.112  -4.338
  622    H    ARG  81           H        ARG  81  12.427   2.581  -1.395
  623    HA   ARG  81           HA       ARG  81  15.002   1.203  -1.711
  624    HE   ARG  81           HE       ARG  81  12.813  -1.864  -4.391
  625   1HB   LEU  82          2HB       LEU  82  17.164   4.252  -2.585
  626   2HB   LEU  82          1HB       LEU  82  17.256   5.873  -3.241
  627    H    LEU  82           H        LEU  82  14.323   4.127  -0.983
  628    HA   LEU  82           HA       LEU  82  15.365   6.133  -1.255
  629    HG   LEU  82           HG       LEU  82  18.942   5.578  -1.533
  630   1HD1  LEU  82          2HD1      LEU  82  17.110   7.646  -1.630
  631   2HD1  LEU  82          1HD1      LEU  82  17.210   7.246   0.084
  632   3HD1  LEU  82          3HD1      LEU  82  18.671   7.665  -0.811
  633   1HD2  LEU  82          2HD2      LEU  82  17.606   3.795  -0.314
  634   2HD2  LEU  82          1HD2      LEU  82  18.506   4.937   0.684
  635   3HD2  LEU  82          3HD2      LEU  82  16.764   5.124   0.484
  636   1HB   ASN  83          2HB       ASN  83  14.667   5.697  -7.036
  637   2HB   ASN  83          1HB       ASN  83  14.385   4.158  -6.227
  638   1HD2  ASN  83          1HD2      ASN  83  12.729   2.905  -6.856
  639   2HD2  ASN  83          2HD2      ASN  83  11.615   3.314  -8.111
  640    H    ASN  83           H        ASN  83  14.039   4.389  -3.869
  641    HA   ASN  83           HA       ASN  83  13.668   6.883  -5.390
  642   1HB   ARG  84          2HB       ARG  84   8.321   7.805  -3.581
  643   2HB   ARG  84          1HB       ARG  84   9.969   7.977  -2.990
  644   1HG   ARG  84          2HG       ARG  84   9.373   9.174  -5.625
  645   2HG   ARG  84          1HG       ARG  84   8.645   9.941  -4.214
  646   1HD   ARG  84          2HD       ARG  84  10.609  11.063  -4.192
  647   2HD   ARG  84          1HD       ARG  84  11.138   9.639  -3.297
  648   1HH1  ARG  84          1HH1      ARG  84  12.458  11.734  -3.916
  649   2HH1  ARG  84          2HH1      ARG  84  13.939  12.050  -4.758
  650   1HH2  ARG  84          1HH2      ARG  84  13.585   9.376  -6.981
  651   2HH2  ARG  84          2HH2      ARG  84  14.579  10.710  -6.499
  652    H    ARG  84           H        ARG  84  11.721   7.648  -4.859
  653    HA   ARG  84           HA       ARG  84   9.516   5.863  -4.277
  654    HE   ARG  84           HE       ARG  84  11.635   8.968  -5.867
  655   1HB   SER  85          2HB       SER  85  11.105   7.151  -9.007
  656   2HB   SER  85          1HB       SER  85  10.223   6.444 -10.362
  657    H    SER  85           H        SER  85  10.631   5.971  -7.009
  658    HA   SER  85           HA       SER  85   8.254   6.935  -8.457
  659    HG   SER  85           HG       SER  85   8.840   8.516  -9.386
  660   1HB   GLU  86          2HB       GLU  86   7.683   1.712  -6.550
  661   2HB   GLU  86          1HB       GLU  86   8.868   0.761  -7.436
  662   1HG   GLU  86          2HG       GLU  86  10.653   2.155  -6.671
  663   2HG   GLU  86          1HG       GLU  86   9.516   3.287  -5.939
  664    H    GLU  86           H        GLU  86   8.798   4.303  -7.075
  665    HA   GLU  86           HA       GLU  86   9.085   2.331  -9.113
  666   1HB   ARG  87          2HB       ARG  87   5.729  -0.611 -11.086
  667   2HB   ARG  87          1HB       ARG  87   4.381   0.382 -11.619
  668   1HG   ARG  87          2HG       ARG  87   6.118   2.203 -12.048
  669   2HG   ARG  87          1HG       ARG  87   7.316   0.919 -11.885
  670   1HD   ARG  87          2HD       ARG  87   4.990   0.563 -13.724
  671   2HD   ARG  87          1HD       ARG  87   6.374   1.529 -14.236
  672   1HH1  ARG  87          2HH1      ARG  87   7.877   1.488 -15.012
  673   2HH1  ARG  87          1HH1      ARG  87   9.139   0.601 -15.800
  674   1HH2  ARG  87          1HH2      ARG  87   8.092  -2.514 -14.603
  675   2HH2  ARG  87          2HH2      ARG  87   9.262  -1.675 -15.567
  676    H    ARG  87           H        ARG  87   7.281   0.578  -9.263
  677    HA   ARG  87           HA       ARG  87   4.762   1.977  -9.869
  678    HE   ARG  87           HE       ARG  87   6.436  -1.336 -13.571
  679   1HB   TRP  88          2HB       TRP  88   3.967   1.129  -5.360
  680   2HB   TRP  88          1HB       TRP  88   2.997  -0.216  -4.774
  681    H    TRP  88           H        TRP  88   3.843   1.695  -7.829
  682    HA   TRP  88           HA       TRP  88   3.084  -1.082  -7.201
  683    HD1  TRP  88           HD1      TRP  88   6.402   0.764  -4.770
  684    HE1  TRP  88           HE1      TRP  88   8.013  -1.240  -4.671
  685    HE3  TRP  88           HE3      TRP  88   3.157  -2.942  -6.124
  686    HZ2  TRP  88           HZ2      TRP  88   7.912  -4.033  -5.099
  687    HZ3  TRP  88           HZ3      TRP  88   3.993  -5.252  -6.257
  688    HH2  TRP  88           HH2      TRP  88   6.322  -5.784  -5.758
  689   1HB   ASP  89          2HB       ASP  89  -0.608  -1.021  -4.402
  690   2HB   ASP  89          1HB       ASP  89  -2.030   0.020  -4.416
  691    H    ASP  89           H        ASP  89   1.558   0.079  -4.885
  692    HA   ASP  89           HA       ASP  89  -0.709   1.209  -6.388
  693    H    ALA  90           H        ALA  90  -2.023   1.148  -3.567
  694    HA   ALA  90           HA       ALA  90  -0.550   3.050  -2.036
  695   1HB   ALA  90          2HB       ALA  90  -1.132   4.679  -3.601
  696   2HB   ALA  90          3HB       ALA  90  -2.323   4.873  -2.313
  697   3HB   ALA  90          1HB       ALA  90  -2.763   4.036  -3.803
  698   1HB   TYR  91          2HB       TYR  91  -0.962   1.496   1.969
  699   2HB   TYR  91          1HB       TYR  91  -2.403   1.192   2.933
  700    H    TYR  91           H        TYR  91  -1.017   2.383  -0.062
  701    HA   TYR  91           HA       TYR  91  -3.565   1.158   0.547
  702    HD1  TYR  91           HD1      TYR  91  -3.934  -0.757   1.676
  703    HD2  TYR  91           HD2      TYR  91   0.303  -0.392   1.618
  704    HE1  TYR  91           HE1      TYR  91  -3.740  -3.163   1.217
  705    HE2  TYR  91           HE2      TYR  91   0.510  -2.797   1.158
  706    HH   TYR  91           HH       TYR  91  -1.879  -4.972   1.625
  707   1HB   CYS  92          2HB       CYS  92  -6.677   4.095  -0.047
  708   2HB   CYS  92          1HB       CYS  92  -7.276   5.253   1.135
  709    H    CYS  92           H        CYS  92  -4.739   3.172   0.033
  710    HA   CYS  92           HA       CYS  92  -4.563   5.569   1.353
  711   1HB   TYR  93          2HB       TYR  93  -4.686   4.623   5.549
  712   2HB   TYR  93          1HB       TYR  93  -4.716   6.367   5.797
  713    H    TYR  93           H        TYR  93  -5.989   6.476   3.028
  714    HA   TYR  93           HA       TYR  93  -7.120   4.713   4.990
  715    HD1  TYR  93           HD1      TYR  93  -6.921   7.014   7.378
  716    HD2  TYR  93           HD2      TYR  93  -4.629   3.433   7.517
  717    HE1  TYR  93           HE1      TYR  93  -7.620   6.669   9.711
  718    HE2  TYR  93           HE2      TYR  93  -5.319   3.075   9.848
  719    HH   TYR  93           HH       TYR  93  -6.566   3.806  11.535
  720   1HB   ASN  94          2HB       ASN  94  -9.252   8.649   4.022
  721   2HB   ASN  94          1HB       ASN  94 -10.611   7.545   4.207
  722   1HD2  ASN  94          1HD2      ASN  94  -9.503  10.769   4.485
  723   2HD2  ASN  94          2HD2      ASN  94 -11.002  11.474   4.977
  724    H    ASN  94           H        ASN  94  -8.863   5.715   5.708
  725    HA   ASN  94           HA       ASN  94  -8.793   8.509   6.423
  726   1HB   PRO  95          2HB       PRO  95 -12.031   8.920  10.774
  727   2HB   PRO  95          1HB       PRO  95 -10.563   7.982  11.061
  728   1HG   PRO  95          2HG       PRO  95 -10.963  10.410   9.365
  729   2HG   PRO  95          1HG       PRO  95  -9.608   9.998  10.431
  730   1HD   PRO  95          2HD       PRO  95  -9.449   9.717   7.763
  731   2HD   PRO  95          1HD       PRO  95  -8.648   8.585   8.872
  732    HA   PRO  95           HA       PRO  95 -11.408   6.573   9.475
  733   1HB   HIS  96          2HB       HIS  96 -13.557  10.890   6.786
  734   2HB   HIS  96          1HB       HIS  96 -15.099  10.631   5.976
  735    H    HIS  96           H        HIS  96 -12.262   8.973   7.165
  736    HA   HIS  96           HA       HIS  96 -15.122   8.579   7.752
  737    HD1  HIS  96           HD1      HIS  96 -17.252  10.663   7.543
  738    HD2  HIS  96           HD2      HIS  96 -13.728  12.009   9.286
  739    HE1  HIS  96           HE1      HIS  96 -17.957  11.909   9.611
  740    HE2  HIS  96           HE2      HIS  96 -15.813  12.767  10.617
  741    H    ALA  97           H        ALA  97 -12.883   7.199   5.968
  742    HA   ALA  97           HA       ALA  97 -14.151   7.250   3.369
  743   1HB   ALA  97          1HB       ALA  97 -12.310   5.168   3.376
  744   2HB   ALA  97          3HB       ALA  97 -12.044   6.811   2.796
  745   3HB   ALA  97          2HB       ALA  97 -11.612   6.381   4.450
  746   1HB   LYS  98          2HB       LYS  98 -16.503   4.279   2.889
  747   2HB   LYS  98          1HB       LYS  98 -16.841   2.760   3.708
  748   1HG   LYS  98          2HG       LYS  98 -19.045   2.993   3.467
  749   2HG   LYS  98          1HG       LYS  98 -19.007   4.692   3.944
  750   1HD   LYS  98          2HD       LYS  98 -17.905   3.987   1.279
  751   2HD   LYS  98          1HD       LYS  98 -19.656   3.924   1.482
  752   1HE   LYS  98          2HE       LYS  98 -19.738   6.126   1.219
  753   2HE   LYS  98          1HE       LYS  98 -18.787   6.313   2.692
  754    H    LYS  98           H        LYS  98 -16.051   6.459   5.081
  755    HA   LYS  98           HA       LYS  98 -17.622   4.859   5.455
  756   1HZ   LYS  98          2HZ       LYS  98 -16.771   6.133   1.347
  757   2HZ   LYS  98          1HZ       LYS  98 -17.707   6.016  -0.058
  758   3HZ   LYS  98          3HZ       LYS  98 -17.729   7.439   0.859

  No H/Q in entry =         758
  Start of MODEL    3
    1   1HA   GLY   1          2HA       GLY   1 -10.308   1.962   8.085
    2   2HA   GLY   1          1HA       GLY   1  -8.960   2.697   8.939
    3    H1   GLY   1          1H        GLY   1 -10.889   4.297   7.366
    4    H2   GLY   1          3H        GLY   1 -11.133   3.933   9.000
    5    H3   GLY   1          2H        GLY   1  -9.786   4.840   8.527
    6    H    VAL   2           H        VAL   2  -7.342   1.786   7.728
    7    HA   VAL   2           HA       VAL   2  -6.683   3.096   5.287
    8    HB   VAL   2           HB       VAL   2  -4.815   2.509   6.548
    9   1HG1  VAL   2          1HG1      VAL   2  -6.387   0.144   7.199
   10   2HG1  VAL   2          3HG1      VAL   2  -4.680  -0.210   6.930
   11   3HG1  VAL   2          2HG1      VAL   2  -5.153   0.980   8.143
   12   1HG2  VAL   2          1HG2      VAL   2  -5.061   1.509   4.005
   13   2HG2  VAL   2          3HG2      VAL   2  -3.559   1.625   4.922
   14   3HG2  VAL   2          2HG2      VAL   2  -4.473   0.117   4.914
   15   1HB   TYR   3          2HB       TYR   3  -9.332   0.781   0.868
   16   2HB   TYR   3          1HB       TYR   3  -9.888   0.936   2.528
   17    H    TYR   3           H        TYR   3  -6.918   2.458   3.219
   18    HA   TYR   3           HA       TYR   3  -7.884  -0.265   2.709
   19    HD1  TYR   3           HD1      TYR   3  -8.474   3.196   3.600
   20    HD2  TYR   3           HD2      TYR   3  -9.982   2.627  -0.336
   21    HE1  TYR   3           HE1      TYR   3  -8.647   5.633   3.322
   22    HE2  TYR   3           HE2      TYR   3 -10.157   5.062  -0.627
   23    HH   TYR   3           HH       TYR   3  -9.074   7.298   1.904
   24   1HB   HIS   4          2HB       HIS   4  -4.603  -1.934  -0.846
   25   2HB   HIS   4          1HB       HIS   4  -6.202  -2.450  -0.325
   26    H    HIS   4           H        HIS   4  -7.724  -0.849   0.365
   27    HA   HIS   4           HA       HIS   4  -5.201   0.213  -0.702
   28    HD1  HIS   4           HD1      HIS   4  -7.937  -3.001  -2.215
   29    HD2  HIS   4           HD2      HIS   4  -4.083  -2.210  -3.551
   30    HE1  HIS   4           HE1      HIS   4  -7.872  -3.809  -4.595
   31    HE2  HIS   4           HE2      HIS   4  -5.504  -3.400  -5.355
   32   1HB   ARG   5          2HB       ARG   5  -6.193   3.327  -3.561
   33   2HB   ARG   5          1HB       ARG   5  -7.120   3.208  -5.050
   34   1HG   ARG   5          2HG       ARG   5  -8.248   2.156  -2.490
   35   2HG   ARG   5          1HG       ARG   5  -8.310   3.882  -2.857
   36   1HD   ARG   5          2HD       ARG   5  -9.269   3.062  -5.145
   37   2HD   ARG   5          1HD       ARG   5  -9.646   1.597  -4.239
   38   1HH1  ARG   5          1HH1      ARG   5 -11.028   0.823  -3.776
   39   2HH1  ARG   5          2HH1      ARG   5 -12.645   0.823  -3.156
   40   1HH2  ARG   5          2HH2      ARG   5 -12.783   4.287  -2.707
   41   2HH2  ARG   5          1HH2      ARG   5 -13.642   2.792  -2.549
   42    H    ARG   5           H        ARG   5  -5.039   0.950  -2.759
   43    HA   ARG   5           HA       ARG   5  -7.319   0.713  -4.564
   44    HE   ARG   5           HE       ARG   5 -10.650   4.275  -3.519
   45   1HB   GLU   6          2HB       GLU   6  -6.068   0.078  -8.311
   46   2HB   GLU   6          1HB       GLU   6  -5.422   1.066  -9.613
   47   1HG   GLU   6          2HG       GLU   6  -4.392  -1.083  -9.699
   48   2HG   GLU   6          1HG       GLU   6  -3.188   0.095  -9.179
   49    H    GLU   6           H        GLU   6  -6.671   2.016  -6.692
   50    HA   GLU   6           HA       GLU   6  -3.837   1.468  -7.262
   51    H    ALA   7           H        ALA   7  -3.766   2.247  -9.876
   52    HA   ALA   7           HA       ALA   7  -3.734   5.091  -9.621
   53   1HB   ALA   7          3HB       ALA   7  -3.460   4.057 -12.336
   54   2HB   ALA   7          1HB       ALA   7  -2.391   3.273 -11.173
   55   3HB   ALA   7          2HB       ALA   7  -2.345   5.025 -11.372
   56   1HB   ARG   8          2HB       ARG   8  -5.245   6.796 -14.001
   57   2HB   ARG   8          1HB       ARG   8  -6.950   6.938 -14.407
   58   1HG   ARG   8          2HG       ARG   8  -6.523   8.652 -12.228
   59   2HG   ARG   8          1HG       ARG   8  -5.171   8.902 -13.332
   60   1HD   ARG   8          2HD       ARG   8  -8.110   9.153 -13.923
   61   2HD   ARG   8          1HD       ARG   8  -6.887  10.421 -13.967
   62   1HH1  ARG   8          1HH1      ARG   8  -8.034  11.287 -15.331
   63   2HH1  ARG   8          2HH1      ARG   8  -8.120  11.645 -17.024
   64   1HH2  ARG   8          1HH2      ARG   8  -6.484   8.721 -18.021
   65   2HH2  ARG   8          2HH2      ARG   8  -7.239  10.186 -18.553
   66    H    ARG   8           H        ARG   8  -4.508   6.124 -11.993
   67    HA   ARG   8           HA       ARG   8  -7.159   6.698 -11.737
   68    HE   ARG   8           HE       ARG   8  -6.374   8.260 -15.790
   69   1HB   SER   9          2HB       SER   9  -9.093   2.529 -15.329
   70   2HB   SER   9          1HB       SER   9  -8.520   4.194 -15.229
   71    H    SER   9           H        SER   9  -5.739   4.056 -13.613
   72    HA   SER   9           HA       SER   9  -8.031   2.413 -13.298
   73    HG   SER   9           HG       SER   9  -7.660   2.105 -16.851
   74   1HA   GLY  10          2HA       GLY  10  -3.299   1.311 -14.502
   75   2HA   GLY  10          1HA       GLY  10  -4.527   0.087 -14.787
   76    H    GLY  10           H        GLY  10  -5.031   2.494 -13.145
   77   1HB   LYS  11          2HB       LYS  11  -3.903  -3.293 -12.491
   78   2HB   LYS  11          1HB       LYS  11  -2.229  -3.740 -12.794
   79   1HG   LYS  11          2HG       LYS  11  -1.944  -4.605 -10.730
   80   2HG   LYS  11          1HG       LYS  11  -2.982  -3.400  -9.964
   81   1HD   LYS  11          2HD       LYS  11  -4.957  -4.556 -10.881
   82   2HD   LYS  11          1HD       LYS  11  -3.895  -5.788 -11.566
   83   1HE   LYS  11          2HE       LYS  11  -3.871  -5.142  -8.637
   84   2HE   LYS  11          1HE       LYS  11  -5.027  -6.285  -9.320
   85    H    LYS  11           H        LYS  11  -2.746  -1.290 -13.931
   86    HA   LYS  11           HA       LYS  11  -2.917  -1.433 -10.996
   87   1HZ   LYS  11          1HZ       LYS  11  -3.079  -7.502 -10.249
   88   2HZ   LYS  11          3HZ       LYS  11  -2.070  -6.491  -9.341
   89   3HZ   LYS  11          2HZ       LYS  11  -3.168  -7.513  -8.560
   90   1HB   TYR  12          2HB       TYR  12   1.275  -3.531 -11.509
   91   2HB   TYR  12          1HB       TYR  12   2.704  -3.016 -10.619
   92    H    TYR  12           H        TYR  12  -1.054  -1.956  -9.811
   93    HA   TYR  12           HA       TYR  12   1.141  -1.483  -9.300
   94    HD1  TYR  12           HD1      TYR  12   1.861  -2.868  -7.874
   95    HD2  TYR  12           HD2      TYR  12   0.725  -5.673 -10.864
   96    HE1  TYR  12           HE1      TYR  12   1.391  -4.528  -6.124
   97    HE2  TYR  12           HE2      TYR  12   0.245  -7.342  -9.122
   98    HH   TYR  12           HH       TYR  12  -0.413  -6.948  -6.326
   99   1HB   LYS  13          2HB       LYS  13   1.622   2.310 -13.927
  100   2HB   LYS  13          1HB       LYS  13   1.015   0.678 -13.685
  101   1HG   LYS  13          2HG       LYS  13  -1.006   1.453 -12.766
  102   2HG   LYS  13          1HG       LYS  13  -0.374   3.086 -12.555
  103   1HD   LYS  13          2HD       LYS  13  -0.064   2.684 -15.245
  104   2HD   LYS  13          1HD       LYS  13  -1.564   1.819 -14.907
  105   1HE   LYS  13          2HE       LYS  13  -2.706   3.713 -14.618
  106   2HE   LYS  13          1HE       LYS  13  -1.456   4.397 -13.577
  107    H    LYS  13           H        LYS  13   0.503   0.723 -10.457
  108    HA   LYS  13           HA       LYS  13   2.808   1.406 -12.072
  109   1HZ   LYS  13          1HZ       LYS  13  -0.302   4.534 -15.997
  110   2HZ   LYS  13          3HZ       LYS  13  -1.925   4.796 -16.398
  111   3HZ   LYS  13          2HZ       LYS  13  -1.158   5.801 -15.274
  112   1HB   LEU  14          2HB       LEU  14   0.157   2.832  -7.795
  113   2HB   LEU  14          1HB       LEU  14   0.582   4.378  -7.086
  114    H    LEU  14           H        LEU  14   1.375   2.024  -9.440
  115    HA   LEU  14           HA       LEU  14   0.945   4.900  -9.733
  116    HG   LEU  14           HG       LEU  14  -1.645   3.761  -9.007
  117   1HD1  LEU  14          2HD1      LEU  14  -1.400   4.185  -6.188
  118   2HD1  LEU  14          1HD1      LEU  14  -2.418   5.441  -6.895
  119   3HD1  LEU  14          3HD1      LEU  14  -2.823   3.740  -7.131
  120   1HD2  LEU  14          3HD2      LEU  14  -0.076   6.168  -8.881
  121   2HD2  LEU  14          2HD2      LEU  14  -1.410   5.752  -9.957
  122   3HD2  LEU  14          1HD2      LEU  14  -1.738   6.482  -8.385
  123    H    THR  15           H        THR  15   2.143   6.447  -8.670
  124    HA   THR  15           HA       THR  15   4.773   5.552  -7.719
  125    HB   THR  15           HB       THR  15   5.583   7.781  -8.169
  126    HG1  THR  15           HG1      THR  15   4.223   9.433  -8.775
  127   1HG2  THR  15          1HG2      THR  15   4.614   6.039 -10.130
  128   2HG2  THR  15          3HG2      THR  15   4.119   7.649 -10.652
  129   3HG2  THR  15          2HG2      THR  15   5.820   7.309 -10.336
  130   1HB   TYR  16          2HB       TYR  16   6.506   7.679  -3.878
  131   2HB   TYR  16          1HB       TYR  16   6.325   9.334  -4.452
  132    H    TYR  16           H        TYR  16   5.443   7.936  -6.341
  133    HA   TYR  16           HA       TYR  16   4.052   7.428  -3.852
  134    HD1  TYR  16           HD1      TYR  16   5.180   7.155  -1.640
  135    HD2  TYR  16           HD2      TYR  16   6.382  11.038  -2.896
  136    HE1  TYR  16           HE1      TYR  16   5.045   7.939   0.683
  137    HE2  TYR  16           HE2      TYR  16   6.251  11.835  -0.573
  138    HH   TYR  16           HH       TYR  16   5.546  11.338   1.508
  139    H    ALA  17           H        ALA  17   4.847  10.354  -5.724
  140    HA   ALA  17           HA       ALA  17   3.146  12.088  -4.326
  141   1HB   ALA  17          3HB       ALA  17   4.991  12.787  -5.832
  142   2HB   ALA  17          2HB       ALA  17   3.991  12.323  -7.209
  143   3HB   ALA  17          1HB       ALA  17   3.473  13.629  -6.143
  144   1HB   GLU  18          2HB       GLU  18   1.431   8.356  -8.308
  145   2HB   GLU  18          1HB       GLU  18  -0.220   8.656  -8.834
  146   1HG   GLU  18          2HG       GLU  18   0.415  10.406 -10.235
  147   2HG   GLU  18          1HG       GLU  18   1.979  10.593  -9.443
  148    H    GLU  18           H        GLU  18   2.564   9.867  -6.953
  149    HA   GLU  18           HA       GLU  18  -0.012  10.919  -7.648
  150    H    ALA  19           H        ALA  19   1.124   8.075  -5.851
  151    HA   ALA  19           HA       ALA  19  -1.339   7.001  -5.155
  152   1HB   ALA  19          1HB       ALA  19   0.129   5.508  -4.396
  153   2HB   ALA  19          2HB       ALA  19   0.288   6.521  -2.961
  154   3HB   ALA  19          3HB       ALA  19   1.412   6.717  -4.307
  155   1HB   LYS  20          2HB       LYS  20   1.285  10.821  -1.893
  156   2HB   LYS  20          1HB       LYS  20   0.398  12.138  -2.644
  157   1HG   LYS  20          2HG       LYS  20  -0.418  12.916  -0.637
  158   2HG   LYS  20          1HG       LYS  20  -0.237  11.353   0.162
  159   1HD   LYS  20          2HD       LYS  20   2.106  11.612   0.351
  160   2HD   LYS  20          1HD       LYS  20   2.117  12.980  -0.764
  161   1HE   LYS  20          2HE       LYS  20   2.182  14.189   1.138
  162   2HE   LYS  20          1HE       LYS  20   0.439  13.921   1.120
  163    H    LYS  20           H        LYS  20   0.513   9.585  -3.645
  164    HA   LYS  20           HA       LYS  20  -1.046   9.859  -1.331
  165   1HZ   LYS  20          3HZ       LYS  20   1.828  11.762   2.360
  166   2HZ   LYS  20          2HZ       LYS  20   2.170  13.232   3.123
  167   3HZ   LYS  20          1HZ       LYS  20   0.568  12.716   2.963
  168    H    ALA  21           H        ALA  21  -1.065  11.674  -4.387
  169    HA   ALA  21           HA       ALA  21  -3.240  13.344  -3.750
  170   1HB   ALA  21          2HB       ALA  21  -3.114  14.112  -5.913
  171   2HB   ALA  21          1HB       ALA  21  -1.502  13.424  -5.716
  172   3HB   ALA  21          3HB       ALA  21  -2.748  12.518  -6.574
  173    H    VAL  22           H        VAL  22  -3.097  10.261  -5.510
  174    HA   VAL  22           HA       VAL  22  -5.753  10.006  -6.233
  175    HB   VAL  22           HB       VAL  22  -3.519   8.140  -5.741
  176   1HG1  VAL  22          3HG1      VAL  22  -6.373   7.181  -5.753
  177   2HG1  VAL  22          2HG1      VAL  22  -4.948   6.152  -5.893
  178   3HG1  VAL  22          1HG1      VAL  22  -5.233   7.067  -4.412
  179   1HG2  VAL  22          3HG2      VAL  22  -4.012   9.079  -7.944
  180   2HG2  VAL  22          2HG2      VAL  22  -4.161   7.321  -7.942
  181   3HG2  VAL  22          1HG2      VAL  22  -5.608   8.330  -7.908
  182   1HB   CYS  23          2HB       CYS  23  -3.735   9.269  -1.057
  183   2HB   CYS  23          1HB       CYS  23  -4.954   9.049   0.191
  184    H    CYS  23           H        CYS  23  -4.160   9.361  -3.179
  185    HA   CYS  23           HA       CYS  23  -6.376   8.150  -1.874
  186   1HB   GLU  24          2HB       GLU  24  -4.476  13.325  -1.236
  187   2HB   GLU  24          1HB       GLU  24  -5.766  14.474  -1.562
  188   1HG   GLU  24          2HG       GLU  24  -6.075  14.801   0.842
  189   2HG   GLU  24          1HG       GLU  24  -4.773  13.655   1.160
  190    H    GLU  24           H        GLU  24  -4.858  11.314  -1.394
  191    HA   GLU  24           HA       GLU  24  -6.758  12.478   0.226
  192   1HB   PHE  25          2HB       PHE  25  -7.485  13.175  -5.348
  193   2HB   PHE  25          1HB       PHE  25  -8.030  11.504  -5.435
  194    H    PHE  25           H        PHE  25  -6.985  11.747  -3.127
  195    HA   PHE  25           HA       PHE  25  -9.185  13.595  -3.580
  196    HD1  PHE  25           HD1      PHE  25  -8.953  15.000  -6.096
  197    HD2  PHE  25           HD2      PHE  25 -10.036  10.912  -6.572
  198    HE1  PHE  25           HE1      PHE  25 -10.667  15.649  -7.738
  199    HE2  PHE  25           HE2      PHE  25 -11.751  11.553  -8.215
  200    HZ   PHE  25           HZ       PHE  25 -12.068  13.924  -8.800
  201   1HB   GLU  26          2HB       GLU  26  -8.950   7.981  -2.770
  202   2HB   GLU  26          1HB       GLU  26 -10.534   7.245  -2.593
  203   1HG   GLU  26          2HG       GLU  26 -10.949   7.907  -5.008
  204   2HG   GLU  26          1HG       GLU  26  -9.220   8.246  -5.095
  205    H    GLU  26           H        GLU  26  -8.646  10.232  -2.883
  206    HA   GLU  26           HA       GLU  26 -11.420   9.539  -3.448
  207   1HA   GLY  27          1HA       GLY  27 -12.253  10.310   0.800
  208   2HA   GLY  27          2HA       GLY  27 -11.224  11.727   0.959
  209    H    GLY  27           H        GLY  27 -10.413  11.297  -1.158
  210   1HA   GLY  28          2HA       GLY  28  -8.177   8.614   2.406
  211   2HA   GLY  28          1HA       GLY  28  -8.344   9.907   3.588
  212    H    GLY  28           H        GLY  28  -8.800  11.111   1.162
  213   1HB   HIS  29          2HB       HIS  29  -2.767  10.841   3.619
  214   2HB   HIS  29          1HB       HIS  29  -4.263  11.748   3.416
  215    H    HIS  29           H        HIS  29  -5.943   8.665   3.382
  216    HA   HIS  29           HA       HIS  29  -4.231  10.216   1.619
  217    HD1  HIS  29           HD1      HIS  29  -6.037  11.523   5.234
  218    HD2  HIS  29           HD2      HIS  29  -2.734   9.073   5.831
  219    HE1  HIS  29           HE1      HIS  29  -6.269  10.640   7.577
  220    HE2  HIS  29           HE2      HIS  29  -4.306   9.091   7.885
  221   1HB   LEU  30          2HB       LEU  30   0.345   8.992   2.130
  222   2HB   LEU  30          1HB       LEU  30   0.874   7.324   2.107
  223    H    LEU  30           H        LEU  30  -1.851   9.573   2.050
  224    HA   LEU  30           HA       LEU  30  -1.639   6.782   1.715
  225    HG   LEU  30           HG       LEU  30  -0.437   8.851  -0.139
  226   1HD1  LEU  30          1HD1      LEU  30   2.104   8.980   0.471
  227   2HD1  LEU  30          3HD1      LEU  30   2.161   7.399  -0.310
  228   3HD1  LEU  30          2HD1      LEU  30   1.594   8.806  -1.209
  229   1HD2  LEU  30          1HD2      LEU  30  -0.541   6.051   0.419
  230   2HD2  LEU  30          3HD2      LEU  30  -1.213   6.940  -0.947
  231   3HD2  LEU  30          2HD2      LEU  30   0.439   6.328  -1.020
  232    H    ALA  31           H        ALA  31  -2.146   5.429   3.329
  233    HA   ALA  31           HA       ALA  31  -2.033   5.948   6.054
  234   1HB   ALA  31          2HB       ALA  31  -2.219   3.490   4.413
  235   2HB   ALA  31          1HB       ALA  31  -1.805   3.309   6.119
  236   3HB   ALA  31          3HB       ALA  31  -3.306   4.113   5.655
  237    H    THR  32           H        THR  32  -0.692   3.918   7.288
  238    HA   THR  32           HA       THR  32   2.139   4.375   6.638
  239    HB   THR  32           HB       THR  32   2.684   5.171   8.672
  240    HG1  THR  32           HG1      THR  32   2.090   4.195  10.508
  241   1HG2  THR  32          1HG2      THR  32  -0.237   5.737   8.403
  242   2HG2  THR  32          3HG2      THR  32   0.630   6.271   9.844
  243   3HG2  THR  32          2HG2      THR  32   1.135   6.835   8.251
  244   1HB   TYR  33          2HB       TYR  33   5.258   1.193   7.677
  245   2HB   TYR  33          1HB       TYR  33   4.885   1.020   9.386
  246    H    TYR  33           H        TYR  33   3.589   2.827   7.816
  247    HA   TYR  33           HA       TYR  33   2.972   0.194   7.204
  248    HD1  TYR  33           HD1      TYR  33   5.579  -0.809   6.269
  249    HD2  TYR  33           HD2      TYR  33   4.941  -1.118  10.465
  250    HE1  TYR  33           HE1      TYR  33   6.402  -3.126   6.219
  251    HE2  TYR  33           HE2      TYR  33   5.763  -3.435  10.426
  252    HH   TYR  33           HH       TYR  33   6.521  -5.100   9.172
  253   1HB   LYS  34          2HB       LYS  34   2.992   1.798  12.762
  254   2HB   LYS  34          1HB       LYS  34   1.390   2.433  12.423
  255   1HG   LYS  34          2HG       LYS  34   0.440   0.785  13.995
  256   2HG   LYS  34          1HG       LYS  34   2.077   0.249  14.377
  257   1HD   LYS  34          2HD       LYS  34   1.232   3.119  14.662
  258   2HD   LYS  34          1HD       LYS  34   0.998   1.943  15.956
  259   1HE   LYS  34          2HE       LYS  34   3.483   1.429  15.709
  260   2HE   LYS  34          1HE       LYS  34   3.574   2.905  14.746
  261    H    LYS  34           H        LYS  34   3.061   1.694  10.420
  262    HA   LYS  34           HA       LYS  34   2.171  -0.440  11.925
  263   1HZ   LYS  34          1HZ       LYS  34   2.379   2.927  17.445
  264   2HZ   LYS  34          3HZ       LYS  34   4.053   3.054  17.237
  265   3HZ   LYS  34          2HZ       LYS  34   3.027   4.216  16.562
  266   1HB   GLN  35          2HB       GLN  35  -1.679   2.391   8.423
  267   2HB   GLN  35          1HB       GLN  35  -3.162   2.516   9.352
  268   1HG   GLN  35          2HG       GLN  35  -1.743   3.717  11.108
  269   2HG   GLN  35          1HG       GLN  35  -0.538   3.866   9.830
  270   1HE2  GLN  35          1HE2      GLN  35  -3.002   5.409  11.317
  271   2HE2  GLN  35          2HE2      GLN  35  -3.475   6.498  10.060
  272    H    GLN  35           H        GLN  35   0.237   2.060  10.303
  273    HA   GLN  35           HA       GLN  35  -2.283   1.181  11.119
  274   1HB   LEU  36          2HB       LEU  36   0.813  -1.005   7.091
  275   2HB   LEU  36          1HB       LEU  36   0.495  -2.719   6.917
  276    H    LEU  36           H        LEU  36  -0.162   0.105   8.543
  277    HA   LEU  36           HA       LEU  36  -2.029  -1.510   7.166
  278    HG   LEU  36           HG       LEU  36   0.649  -1.691   4.734
  279   1HD1  LEU  36          2HD1      LEU  36  -1.527  -3.204   5.653
  280   2HD1  LEU  36          1HD1      LEU  36  -2.197  -1.986   4.567
  281   3HD1  LEU  36          3HD1      LEU  36  -0.925  -3.069   4.000
  282   1HD2  LEU  36          1HD2      LEU  36  -0.662   0.463   5.987
  283   2HD2  LEU  36          3HD2      LEU  36  -0.069   0.366   4.329
  284   3HD2  LEU  36          2HD2      LEU  36  -1.727  -0.107   4.702
  285   1HB   GLU  37          2HB       GLU  37   1.350  -3.427  11.493
  286   2HB   GLU  37          1HB       GLU  37   0.014  -2.755  12.410
  287   1HG   GLU  37          2HG       GLU  37  -0.516  -5.233  12.957
  288   2HG   GLU  37          1HG       GLU  37   1.164  -5.503  12.491
  289    H    GLU  37           H        GLU  37  -0.035  -2.000   9.985
  290    HA   GLU  37           HA       GLU  37  -0.251  -4.801  10.199
  291    H    ALA  38           H        ALA  38  -2.018  -2.240  11.898
  292    HA   ALA  38           HA       ALA  38  -3.877  -3.794  13.231
  293   1HB   ALA  38          1HB       ALA  38  -3.559  -1.358  13.560
  294   2HB   ALA  38          2HB       ALA  38  -5.254  -1.814  13.380
  295   3HB   ALA  38          3HB       ALA  38  -4.391  -1.073  12.031
  296    H    ALA  39           H        ALA  39  -3.738  -2.825   9.898
  297    HA   ALA  39           HA       ALA  39  -6.416  -3.552   9.211
  298   1HB   ALA  39          3HB       ALA  39  -4.020  -3.312   7.394
  299   2HB   ALA  39          1HB       ALA  39  -5.031  -1.958   7.901
  300   3HB   ALA  39          2HB       ALA  39  -5.719  -3.256   6.924
  301   1HB   ARG  40          2HB       ARG  40  -1.736  -6.769   8.444
  302   2HB   ARG  40          1HB       ARG  40  -1.976  -7.284  10.109
  303   1HG   ARG  40          2HG       ARG  40  -2.144  -9.547   9.496
  304   2HG   ARG  40          1HG       ARG  40  -2.352  -9.151   7.790
  305   1HD   ARG  40          2HD       ARG  40  -0.144  -8.964   7.437
  306   2HD   ARG  40          1HD       ARG  40   0.127  -8.130   8.964
  307   1HH1  ARG  40          2HH1      ARG  40   1.860  -8.337   9.311
  308   2HH1  ARG  40          1HH1      ARG  40   3.090  -9.269  10.097
  309   1HH2  ARG  40          2HH2      ARG  40   1.260 -12.247  10.070
  310   2HH2  ARG  40          1HH2      ARG  40   2.749 -11.491  10.529
  311    H    ARG  40           H        ARG  40  -3.359  -5.186   9.442
  312    HA   ARG  40           HA       ARG  40  -4.093  -7.517   7.966
  313    HE   ARG  40           HE       ARG  40  -0.354 -11.012   9.035
  314   1HB   LYS  41          2HB       LYS  41  -6.210  -6.348  13.234
  315   2HB   LYS  41          1HB       LYS  41  -5.832  -7.665  14.335
  316   1HG   LYS  41          2HG       LYS  41  -3.374  -7.147  13.755
  317   2HG   LYS  41          1HG       LYS  41  -4.006  -5.612  13.156
  318   1HD   LYS  41          2HD       LYS  41  -4.181  -4.811  15.224
  319   2HD   LYS  41          1HD       LYS  41  -5.120  -6.215  15.740
  320   1HE   LYS  41          2HE       LYS  41  -2.499  -7.138  15.499
  321   2HE   LYS  41          1HE       LYS  41  -2.359  -5.554  16.259
  322    H    LYS  41           H        LYS  41  -4.281  -6.533  11.325
  323    HA   LYS  41           HA       LYS  41  -4.784  -8.927  12.587
  324   1HZ   LYS  41          3HZ       LYS  41  -3.957  -6.264  17.934
  325   2HZ   LYS  41          2HZ       LYS  41  -4.067  -7.788  17.210
  326   3HZ   LYS  41          1HZ       LYS  41  -2.611  -7.289  17.909
  327   1HG1  ILE  42          2HG1      ILE  42  -8.833  -5.305   8.780
  328   2HG1  ILE  42          1HG1      ILE  42  -8.165  -6.896   8.428
  329    H    ILE  42           H        ILE  42  -6.965  -6.951  10.664
  330    HA   ILE  42           HA       ILE  42  -9.257  -8.597  11.309
  331    HB   ILE  42           HB       ILE  42 -10.564  -7.122  10.032
  332   1HG2  ILE  42          2HG2      ILE  42  -9.413  -6.199  12.120
  333   2HG2  ILE  42          1HG2      ILE  42  -8.411  -5.273  11.003
  334   3HG2  ILE  42          3HG2      ILE  42 -10.159  -5.041  11.018
  335   1HD1  ILE  42          2HD1      ILE  42 -11.059  -6.707   8.070
  336   2HD1  ILE  42          1HD1      ILE  42 -10.116  -5.672   6.998
  337   3HD1  ILE  42          3HD1      ILE  42  -9.822  -7.411   7.027
  338   1HA   GLY  43          1HA       GLY  43  -8.250 -10.462   7.308
  339   2HA   GLY  43          2HA       GLY  43  -6.513 -10.451   7.576
  340    H    GLY  43           H        GLY  43  -6.883  -8.290   8.771
  341   1HB   PHE  44          2HB       PHE  44  -6.182  -5.537   6.264
  342   2HB   PHE  44          1HB       PHE  44  -4.558  -5.852   5.666
  343    H    PHE  44           H        PHE  44  -5.847  -7.859   7.000
  344    HA   PHE  44           HA       PHE  44  -6.935  -7.180   4.396
  345    HD1  PHE  44           HD1      PHE  44  -7.212  -5.952   3.228
  346    HD2  PHE  44           HD2      PHE  44  -4.433  -3.415   5.211
  347    HE1  PHE  44           HE1      PHE  44  -7.533  -4.245   1.485
  348    HE2  PHE  44           HE2      PHE  44  -4.747  -1.702   3.472
  349    HZ   PHE  44           HZ       PHE  44  -6.300  -2.116   1.606
  350   1HB   HIS  45          2HB       HIS  45  -4.462 -11.432   3.260
  351   2HB   HIS  45          1HB       HIS  45  -5.808 -11.083   2.181
  352    H    HIS  45           H        HIS  45  -6.299  -8.975   3.152
  353    HA   HIS  45           HA       HIS  45  -3.413  -9.368   2.802
  354    HD1  HIS  45           HD1      HIS  45  -5.685 -12.749   0.363
  355    HD2  HIS  45           HD2      HIS  45  -1.939 -11.233   1.322
  356    HE1  HIS  45           HE1      HIS  45  -4.096 -13.787  -1.285
  357    HE2  HIS  45           HE2      HIS  45  -1.825 -12.920  -0.632
  358    H    VAL  46           H        VAL  46  -2.568  -8.135   1.264
  359    HA   VAL  46           HA       VAL  46  -3.806  -8.146  -1.384
  360    HB   VAL  46           HB       VAL  46  -2.861  -5.591  -0.075
  361   1HG1  VAL  46          1HG1      VAL  46  -2.637  -5.946  -2.614
  362   2HG1  VAL  46          3HG1      VAL  46  -4.397  -5.822  -2.638
  363   3HG1  VAL  46          2HG1      VAL  46  -3.425  -4.476  -2.041
  364   1HG2  VAL  46          3HG2      VAL  46  -5.560  -6.812  -0.356
  365   2HG2  VAL  46          2HG2      VAL  46  -4.876  -5.876   0.973
  366   3HG2  VAL  46          1HG2      VAL  46  -5.403  -5.062  -0.500
  367   1HB   CYS  47          2HB       CYS  47  -0.256  -9.678  -4.719
  368   2HB   CYS  47          1HB       CYS  47   0.741 -10.546  -3.554
  369    H    CYS  47           H        CYS  47  -2.275  -9.050  -2.596
  370    HA   CYS  47           HA       CYS  47   0.499  -8.952  -1.959
  371    H    ALA  48           H        ALA  48  -1.406  -6.579  -3.138
  372    HA   ALA  48           HA       ALA  48   0.561  -5.540  -5.037
  373   1HB   ALA  48          1HB       ALA  48  -2.045  -5.550  -5.347
  374   2HB   ALA  48          2HB       ALA  48  -1.072  -4.191  -5.914
  375   3HB   ALA  48          3HB       ALA  48  -1.949  -4.074  -4.387
  376    H    ALA  49           H        ALA  49   2.225  -4.922  -3.692
  377    HA   ALA  49           HA       ALA  49   2.261  -3.689  -1.297
  378   1HB   ALA  49          1HB       ALA  49   4.408  -3.795  -1.870
  379   2HB   ALA  49          3HB       ALA  49   4.022  -3.757  -3.592
  380   3HB   ALA  49          2HB       ALA  49   4.175  -2.249  -2.688
  381   1HA   GLY  50          2HA       GLY  50   0.209   0.072  -0.571
  382   2HA   GLY  50          1HA       GLY  50   0.687   0.291  -2.248
  383    H    GLY  50           H        GLY  50   1.904  -1.690  -0.427
  384   1HB   TRP  51          2HB       TRP  51   1.757   4.680  -2.460
  385   2HB   TRP  51          1HB       TRP  51   3.248   5.369  -1.823
  386    H    TRP  51           H        TRP  51   1.136   2.478  -1.987
  387    HA   TRP  51           HA       TRP  51   3.755   3.039  -0.906
  388    HD1  TRP  51           HD1      TRP  51   1.911   3.273  -4.657
  389    HE1  TRP  51           HE1      TRP  51   3.837   2.691  -6.272
  390    HE3  TRP  51           HE3      TRP  51   5.864   4.888  -1.839
  391    HZ2  TRP  51           HZ2      TRP  51   6.651   2.899  -6.344
  392    HZ3  TRP  51           HZ3      TRP  51   8.138   4.662  -2.754
  393    HH2  TRP  51           HH2      TRP  51   8.521   3.689  -4.960
  394   1HB   MET  52          2HB       MET  52   2.918   4.486   4.462
  395   2HB   MET  52          1HB       MET  52   1.926   3.515   3.385
  396   1HG   MET  52          2HG       MET  52   3.920   2.409   2.529
  397   2HG   MET  52          1HG       MET  52   4.924   3.393   3.593
  398    H    MET  52           H        MET  52   4.237   4.188   0.880
  399    HA   MET  52           HA       MET  52   2.126   5.604   2.313
  400   1HE   MET  52          1HE       MET  52   5.187   0.328   3.485
  401   2HE   MET  52          3HE       MET  52   4.254  -0.617   4.645
  402   3HE   MET  52          2HE       MET  52   3.486  -0.017   3.176
  403    H    ALA  53           H        ALA  53   3.454   6.180   4.626
  404    HA   ALA  53           HA       ALA  53   4.986   8.366   4.042
  405   1HB   ALA  53          3HB       ALA  53   5.407   8.551   6.285
  406   2HB   ALA  53          1HB       ALA  53   5.695   6.823   6.486
  407   3HB   ALA  53          2HB       ALA  53   4.048   7.427   6.311
  408   1HB   LYS  54          2HB       LYS  54   9.071   7.022   5.538
  409   2HB   LYS  54          1HB       LYS  54   9.405   5.738   4.387
  410   1HG   LYS  54          2HG       LYS  54  11.573   6.223   4.322
  411   2HG   LYS  54          1HG       LYS  54  11.264   7.949   4.131
  412   1HD   LYS  54          2HD       LYS  54  11.842   8.304   6.246
  413   2HD   LYS  54          1HD       LYS  54  10.575   7.202   6.791
  414   1HE   LYS  54          2HE       LYS  54  12.802   5.721   5.743
  415   2HE   LYS  54          1HE       LYS  54  13.350   6.851   6.981
  416    H    LYS  54           H        LYS  54   7.195   8.838   3.966
  417    HA   LYS  54           HA       LYS  54   9.364   8.531   3.357
  418   1HZ   LYS  54          2HZ       LYS  54  11.055   5.700   7.979
  419   2HZ   LYS  54          1HZ       LYS  54  11.921   4.422   7.288
  420   3HZ   LYS  54          3HZ       LYS  54  12.644   5.393   8.471
  421   1HA   GLY  55          1HA       GLY  55   8.480   6.553  -0.478
  422   2HA   GLY  55          2HA       GLY  55   6.741   6.404  -0.291
  423    H    GLY  55           H        GLY  55   7.015   7.410   1.745
  424   1HB   ARG  56          2HB       ARG  56   8.320   3.174   3.844
  425   2HB   ARG  56          1HB       ARG  56   6.608   2.812   3.676
  426   1HG   ARG  56          2HG       ARG  56   6.940   0.549   3.704
  427   2HG   ARG  56          1HG       ARG  56   8.580   0.672   3.064
  428   1HD   ARG  56          2HD       ARG  56   7.790   1.597   5.820
  429   2HD   ARG  56          1HD       ARG  56   8.417  -0.014   5.475
  430   1HH1  ARG  56          1HH1      ARG  56   8.902   1.109   7.555
  431   2HH1  ARG  56          2HH1      ARG  56  10.322   1.616   8.405
  432   1HH2  ARG  56          2HH2      ARG  56  12.121   2.410   5.514
  433   2HH2  ARG  56          1HH2      ARG  56  12.153   2.357   7.244
  434    H    ARG  56           H        ARG  56   7.339   4.826   2.262
  435    HA   ARG  56           HA       ARG  56   8.660   2.440   1.487
  436    HE   ARG  56           HE       ARG  56  10.246   1.739   4.403
  437    H    VAL  57           H        VAL  57   7.907   0.560   0.638
  438    HA   VAL  57           HA       VAL  57   5.029   0.383   0.050
  439    HB   VAL  57           HB       VAL  57   5.293   0.173  -2.165
  440   1HG1  VAL  57          1HG1      VAL  57   7.805   1.464  -1.249
  441   2HG1  VAL  57          3HG1      VAL  57   7.674   1.026  -2.951
  442   3HG1  VAL  57          2HG1      VAL  57   6.488   2.111  -2.226
  443   1HG2  VAL  57          2HG2      VAL  57   7.762  -1.457  -1.587
  444   2HG2  VAL  57          1HG2      VAL  57   6.169  -2.048  -2.064
  445   3HG2  VAL  57          3HG2      VAL  57   7.153  -1.137  -3.211
  446   1HA   GLY  58          2HA       GLY  58   5.153  -3.507   1.940
  447   2HA   GLY  58          1HA       GLY  58   5.652  -4.019   0.337
  448    H    GLY  58           H        GLY  58   4.119  -1.603   0.257
  449   1HB   TYR  59          2HB       TYR  59   1.579  -7.632  -0.897
  450   2HB   TYR  59          1HB       TYR  59   1.839  -6.056  -1.638
  451    H    TYR  59           H        TYR  59   4.340  -5.911   0.815
  452    HA   TYR  59           HA       TYR  59   1.462  -5.397   0.525
  453    HD1  TYR  59           HD1      TYR  59   4.367  -5.255  -1.696
  454    HD2  TYR  59           HD2      TYR  59   3.120  -9.308  -1.277
  455    HE1  TYR  59           HE1      TYR  59   6.553  -6.009  -2.524
  456    HE2  TYR  59           HE2      TYR  59   5.306 -10.067  -2.106
  457    HH   TYR  59           HH       TYR  59   7.933  -8.454  -2.125
  458   1HB   PRO  60          2HB       PRO  60  -1.125  -7.380   4.396
  459   2HB   PRO  60          1HB       PRO  60   0.194  -7.085   5.527
  460   1HG   PRO  60          2HG       PRO  60  -0.995  -5.103   4.127
  461   2HG   PRO  60          1HG       PRO  60   0.711  -5.051   4.599
  462   1HD   PRO  60          1HD       PRO  60  -0.504  -5.689   1.948
  463   2HD   PRO  60          2HD       PRO  60   0.977  -4.788   2.324
  464    HA   PRO  60           HA       PRO  60   1.714  -8.073   4.157
  465   1HG1  ILE  61          2HG1      ILE  61   2.833 -10.518   1.257
  466   2HG1  ILE  61          1HG1      ILE  61   2.867 -11.694  -0.052
  467    H    ILE  61           H        ILE  61   1.897  -9.995   2.921
  468    HA   ILE  61           HA       ILE  61  -0.465 -11.127   1.698
  469    HB   ILE  61           HB       ILE  61   2.089 -12.637   2.132
  470   1HG2  ILE  61          1HG2      ILE  61  -0.331 -13.150   0.812
  471   2HG2  ILE  61          3HG2      ILE  61   0.868 -12.875  -0.451
  472   3HG2  ILE  61          2HG2      ILE  61   1.144 -14.116   0.772
  473   1HD1  ILE  61          1HD1      ILE  61   0.375 -10.164   0.189
  474   2HD1  ILE  61          3HD1      ILE  61   1.806  -9.233  -0.254
  475   3HD1  ILE  61          2HD1      ILE  61   1.309 -10.610  -1.239
  476    H    VAL  62           H        VAL  62  -1.639 -12.850   2.400
  477    HA   VAL  62           HA       VAL  62  -0.928 -14.119   4.936
  478    HB   VAL  62           HB       VAL  62  -3.583 -12.780   4.400
  479   1HG1  VAL  62          1HG1      VAL  62  -2.959 -15.074   6.014
  480   2HG1  VAL  62          3HG1      VAL  62  -3.509 -13.740   7.028
  481   3HG1  VAL  62          2HG1      VAL  62  -4.520 -14.314   5.703
  482   1HG2  VAL  62          3HG2      VAL  62  -1.193 -11.996   5.823
  483   2HG2  VAL  62          2HG2      VAL  62  -2.622 -11.047   5.413
  484   3HG2  VAL  62          1HG2      VAL  62  -2.601 -12.019   6.885
  485   1HB   LYS  63          2HB       LYS  63  -5.134 -15.056   1.866
  486   2HB   LYS  63          1HB       LYS  63  -4.661 -15.304   0.193
  487   1HG   LYS  63          2HG       LYS  63  -6.389 -16.785   0.367
  488   2HG   LYS  63          1HG       LYS  63  -5.033 -17.831   0.790
  489   1HD   LYS  63          2HD       LYS  63  -5.495 -17.265   3.201
  490   2HD   LYS  63          1HD       LYS  63  -6.983 -16.494   2.655
  491   1HE   LYS  63          2HE       LYS  63  -6.215 -19.395   2.461
  492   2HE   LYS  63          1HE       LYS  63  -7.566 -18.685   3.340
  493    H    LYS  63           H        LYS  63  -2.646 -14.091   1.920
  494    HA   LYS  63           HA       LYS  63  -3.304 -16.941   2.281
  495   1HZ   LYS  63          2HZ       LYS  63  -8.405 -17.948   1.094
  496   2HZ   LYS  63          1HZ       LYS  63  -7.255 -18.984   0.413
  497   3HZ   LYS  63          3HZ       LYS  63  -8.475 -19.608   1.406
  498   1HB   PRO  64          2HB       PRO  64  -0.273 -19.827  -0.172
  499   2HB   PRO  64          1HB       PRO  64   1.242 -18.927  -0.254
  500   1HG   PRO  64          2HG       PRO  64   0.194 -19.655   2.089
  501   2HG   PRO  64          1HG       PRO  64   1.026 -18.105   1.894
  502   1HD   PRO  64          2HD       PRO  64  -1.881 -18.677   2.143
  503   2HD   PRO  64          1HD       PRO  64  -0.959 -17.251   2.659
  504    HA   PRO  64           HA       PRO  64   0.190 -16.936  -0.727
  505   1HA   GLY  65          2HA       GLY  65  -1.835 -17.680  -4.456
  506   2HA   GLY  65          1HA       GLY  65  -1.762 -19.374  -3.994
  507    H    GLY  65           H        GLY  65   0.375 -17.832  -2.857
  508   1HB   PRO  66          2HB       PRO  66  -0.774 -19.276  -9.386
  509   2HB   PRO  66          1HB       PRO  66  -0.148 -20.892  -9.055
  510   1HG   PRO  66          2HG       PRO  66  -2.716 -20.243  -8.587
  511   2HG   PRO  66          1HG       PRO  66  -1.833 -21.383  -7.555
  512   1HD   PRO  66          2HD       PRO  66  -2.482 -18.499  -7.076
  513   2HD   PRO  66          1HD       PRO  66  -2.520 -19.867  -5.942
  514    HA   PRO  66           HA       PRO  66   1.057 -20.172  -7.263
  515   1HB   ASN  67          2HB       ASN  67   1.271 -14.400  -9.346
  516   2HB   ASN  67          1HB       ASN  67   1.623 -16.048  -9.856
  517   1HD2  ASN  67          2HD2      ASN  67   0.026 -16.664 -11.121
  518   2HD2  ASN  67          1HD2      ASN  67  -1.660 -16.510 -10.773
  519    H    ASN  67           H        ASN  67   0.247 -17.100  -6.556
  520    HA   ASN  67           HA       ASN  67   2.494 -15.930  -7.677
  521   1HB   CYS  68          2HB       CYS  68  -0.925 -14.790  -4.619
  522   2HB   CYS  68          1HB       CYS  68  -0.658 -13.870  -3.143
  523    H    CYS  68           H        CYS  68   1.819 -15.655  -5.238
  524    HA   CYS  68           HA       CYS  68   1.253 -12.877  -4.901
  525   1HA   GLY  69          2HA       GLY  69   1.535 -16.166  -0.708
  526   2HA   GLY  69          1HA       GLY  69   2.261 -14.564  -0.705
  527    H    GLY  69           H        GLY  69   0.745 -15.750  -2.845
  528   1HB   PHE  70          2HB       PHE  70   6.445 -14.107  -0.754
  529   2HB   PHE  70          1HB       PHE  70   7.081 -15.126   0.532
  530    H    PHE  70           H        PHE  70   4.307 -14.956  -0.081
  531    HA   PHE  70           HA       PHE  70   5.996 -16.452  -1.913
  532    HD1  PHE  70           HD1      PHE  70   7.323 -14.728  -3.168
  533    HD2  PHE  70           HD2      PHE  70   9.304 -15.686   0.475
  534    HE1  PHE  70           HE1      PHE  70   9.455 -14.922  -4.382
  535    HE2  PHE  70           HE2      PHE  70  11.439 -15.881  -0.732
  536    HZ   PHE  70           HZ       PHE  70  11.516 -15.499  -3.164
  537   1HA   GLY  71          1HA       GLY  71   6.034 -19.479   1.354
  538   2HA   GLY  71          2HA       GLY  71   4.309 -19.765   1.138
  539    H    GLY  71           H        GLY  71   4.099 -17.458   0.413
  540   1HB   LYS  72          2HB       LYS  72   7.233 -16.345   4.376
  541   2HB   LYS  72          1HB       LYS  72   6.345 -15.539   5.663
  542   1HG   LYS  72          2HG       LYS  72   7.547 -16.715   7.104
  543   2HG   LYS  72          1HG       LYS  72   6.672 -18.149   6.562
  544   1HD   LYS  72          2HD       LYS  72   8.475 -18.972   5.537
  545   2HD   LYS  72          1HD       LYS  72   8.811 -17.433   4.741
  546   1HE   LYS  72          2HE       LYS  72   9.848 -16.623   6.838
  547   2HE   LYS  72          1HE       LYS  72   9.593 -18.219   7.546
  548    H    LYS  72           H        LYS  72   6.007 -17.085   2.738
  549    HA   LYS  72           HA       LYS  72   5.063 -18.004   5.336
  550   1HZ   LYS  72          2HZ       LYS  72  10.895 -18.998   5.456
  551   2HZ   LYS  72          1HZ       LYS  72  11.465 -17.406   5.433
  552   3HZ   LYS  72          3HZ       LYS  72  11.734 -18.382   6.789
  553    H    THR  73           H        THR  73   4.311 -16.138   6.842
  554    HA   THR  73           HA       THR  73   2.286 -14.561   5.391
  555    HB   THR  73           HB       THR  73   1.050 -14.680   7.677
  556    HG1  THR  73           HG1      THR  73   1.524 -16.741   8.717
  557   1HG2  THR  73          3HG2      THR  73   0.997 -16.279   5.333
  558   2HG2  THR  73          2HG2      THR  73   0.709 -17.339   6.713
  559   3HG2  THR  73          1HG2      THR  73  -0.323 -15.933   6.451
  560   1HA   GLY  74          2HA       GLY  74   4.288 -11.311   7.544
  561   2HA   GLY  74          1HA       GLY  74   2.610 -10.812   7.711
  562    H    GLY  74           H        GLY  74   2.398 -12.425   5.618
  563   1HG1  ILE  75          1HG1      ILE  75   2.152  -5.546   5.312
  564   2HG1  ILE  75          2HG1      ILE  75   1.842  -6.611   6.681
  565    H    ILE  75           H        ILE  75   3.669  -8.669   7.348
  566    HA   ILE  75           HA       ILE  75   3.099  -7.741   4.752
  567    HB   ILE  75           HB       ILE  75   4.307  -6.536   7.188
  568   1HG2  ILE  75          2HG2      ILE  75   4.720  -5.519   4.409
  569   2HG2  ILE  75          1HG2      ILE  75   4.529  -4.382   5.744
  570   3HG2  ILE  75          3HG2      ILE  75   5.843  -5.558   5.768
  571   1HD1  ILE  75          1HD1      ILE  75   3.195  -4.607   7.889
  572   2HD1  ILE  75          3HD1      ILE  75   2.357  -3.731   6.608
  573   3HD1  ILE  75          2HD1      ILE  75   1.439  -4.699   7.762
  574   1HG1  ILE  76          1HG1      ILE  76   5.341 -10.255   2.716
  575   2HG1  ILE  76          2HG1      ILE  76   4.321 -10.150   1.285
  576    H    ILE  76           H        ILE  76   4.267  -7.751   2.957
  577    HA   ILE  76           HA       ILE  76   7.076  -8.542   3.099
  578    HB   ILE  76           HB       ILE  76   5.324  -8.248   0.658
  579   1HG2  ILE  76          3HG2      ILE  76   7.792  -8.122   0.320
  580   2HG2  ILE  76          2HG2      ILE  76   7.912  -9.753   0.983
  581   3HG2  ILE  76          1HG2      ILE  76   7.011  -9.471  -0.508
  582   1HD1  ILE  76          1HD1      ILE  76   7.059 -11.391   1.388
  583   2HD1  ILE  76          3HD1      ILE  76   5.526 -12.264   1.397
  584   3HD1  ILE  76          2HD1      ILE  76   5.996 -11.321  -0.018
  585   1HB   ASP  77          2HB       ASP  77   6.952  -4.097   4.205
  586   2HB   ASP  77          1HB       ASP  77   8.640  -3.761   4.573
  587    H    ASP  77           H        ASP  77   7.966  -6.569   3.803
  588    HA   ASP  77           HA       ASP  77   7.980  -4.449   1.756
  589   1HB   TYR  78          2HB       TYR  78  11.363  -4.755  -0.676
  590   2HB   TYR  78          1HB       TYR  78  12.980  -4.115  -0.400
  591    H    TYR  78           H        TYR  78   9.883  -4.186   0.809
  592    HA   TYR  78           HA       TYR  78  12.266  -5.341   2.013
  593    HD1  TYR  78           HD1      TYR  78  11.006  -7.241   0.132
  594    HD2  TYR  78           HD2      TYR  78  14.793  -5.510  -0.741
  595    HE1  TYR  78           HE1      TYR  78  11.947  -9.487  -0.214
  596    HE2  TYR  78           HE2      TYR  78  15.744  -7.750  -1.090
  597    HH   TYR  78           HH       TYR  78  14.777 -10.345  -0.035
  598   1HA   GLY  79          2HA       GLY  79  13.168  -1.191   3.284
  599   2HA   GLY  79          1HA       GLY  79  11.514  -0.656   3.575
  600    H    GLY  79           H        GLY  79  10.748  -2.557   2.475
  601   1HG1  ILE  80          2HG1      ILE  80  12.480   3.274   3.683
  602   2HG1  ILE  80          1HG1      ILE  80  12.281   4.929   3.120
  603    H    ILE  80           H        ILE  80  12.595   1.443   2.961
  604    HA   ILE  80           HA       ILE  80  11.692   2.357   0.531
  605    HB   ILE  80           HB       ILE  80  14.078   3.510   1.965
  606   1HG2  ILE  80          2HG2      ILE  80  11.954   4.747   0.219
  607   2HG2  ILE  80          1HG2      ILE  80  13.203   5.644   1.082
  608   3HG2  ILE  80          3HG2      ILE  80  13.652   4.511  -0.192
  609   1HD1  ILE  80          2HD1      ILE  80  10.519   3.493   1.560
  610   2HD1  ILE  80          1HD1      ILE  80  10.395   2.744   3.152
  611   3HD1  ILE  80          3HD1      ILE  80  10.121   4.476   2.969
  612   1HB   ARG  81          2HB       ARG  81  12.968   1.997  -4.078
  613   2HB   ARG  81          1HB       ARG  81  14.216   0.771  -4.256
  614   1HG   ARG  81          2HG       ARG  81  12.353   0.236  -2.073
  615   2HG   ARG  81          1HG       ARG  81  11.593   0.298  -3.665
  616   1HD   ARG  81          2HD       ARG  81  12.215  -1.867  -3.752
  617   2HD   ARG  81          1HD       ARG  81  13.765  -1.184  -4.239
  618   1HH1  ARG  81          2HH1      ARG  81  14.910  -2.521  -4.357
  619   2HH1  ARG  81          1HH1      ARG  81  16.105  -3.503  -3.575
  620   1HH2  ARG  81          1HH2      ARG  81  14.852  -2.968  -0.355
  621   2HH2  ARG  81          2HH2      ARG  81  16.071  -3.756  -1.299
  622    H    ARG  81           H        ARG  81  12.530   2.596  -1.499
  623    HA   ARG  81           HA       ARG  81  15.011   1.121  -2.042
  624    HE   ARG  81           HE       ARG  81  13.285  -1.677  -1.396
  625   1HB   LEU  82          2HB       LEU  82  17.397   4.105  -2.477
  626   2HB   LEU  82          1HB       LEU  82  17.556   5.593  -3.386
  627    H    LEU  82           H        LEU  82  14.553   4.046  -1.190
  628    HA   LEU  82           HA       LEU  82  15.472   6.087  -1.599
  629    HG   LEU  82           HG       LEU  82  19.064   5.588  -1.481
  630   1HD1  LEU  82          2HD1      LEU  82  17.255   7.605  -2.134
  631   2HD1  LEU  82          1HD1      LEU  82  17.272   7.551  -0.371
  632   3HD1  LEU  82          3HD1      LEU  82  18.778   7.778  -1.262
  633   1HD2  LEU  82          2HD2      LEU  82  16.551   5.164   0.120
  634   2HD2  LEU  82          1HD2      LEU  82  17.976   4.128   0.044
  635   3HD2  LEU  82          3HD2      LEU  82  18.075   5.707   0.823
  636   1HB   ASN  83          2HB       ASN  83  15.152   5.366  -6.596
  637   2HB   ASN  83          1HB       ASN  83  13.961   4.072  -6.491
  638   1HD2  ASN  83          2HD2      ASN  83  13.042   3.687  -8.357
  639   2HD2  ASN  83          1HD2      ASN  83  12.619   4.860  -9.553
  640    H    ASN  83           H        ASN  83  13.593   4.707  -3.633
  641    HA   ASN  83           HA       ASN  83  13.597   6.909  -5.499
  642   1HB   ARG  84          2HB       ARG  84   8.028   7.410  -4.117
  643   2HB   ARG  84          1HB       ARG  84   9.538   7.548  -3.229
  644   1HG   ARG  84          2HG       ARG  84   9.504   8.905  -5.832
  645   2HG   ARG  84          1HG       ARG  84   8.389   9.553  -4.629
  646   1HD   ARG  84          2HD       ARG  84  10.045  10.476  -3.459
  647   2HD   ARG  84          1HD       ARG  84  10.990   8.989  -3.490
  648   1HH1  ARG  84          2HH1      ARG  84  10.976  11.889  -3.150
  649   2HH1  ARG  84          1HH1      ARG  84  11.999  13.155  -3.738
  650   1HH2  ARG  84          1HH2      ARG  84  12.947  11.444  -6.635
  651   2HH2  ARG  84          2HH2      ARG  84  13.119  12.903  -5.717
  652    H    ARG  84           H        ARG  84  11.560   7.469  -4.893
  653    HA   ARG  84           HA       ARG  84   9.459   5.521  -4.635
  654    HE   ARG  84           HE       ARG  84  11.597   9.779  -5.852
  655   1HB   SER  85          2HB       SER  85  11.353   6.777  -9.173
  656   2HB   SER  85          1HB       SER  85  10.849   5.571 -10.358
  657    H    SER  85           H        SER  85  10.706   5.579  -7.220
  658    HA   SER  85           HA       SER  85   8.574   6.669  -8.924
  659    HG   SER  85           HG       SER  85   9.407   7.114 -11.212
  660   1HB   GLU  86          2HB       GLU  86   7.693   1.429  -6.688
  661   2HB   GLU  86          1HB       GLU  86   8.825   0.442  -7.600
  662   1HG   GLU  86          2HG       GLU  86   9.775   3.007  -6.432
  663   2HG   GLU  86          1HG       GLU  86   9.543   1.614  -5.376
  664    H    GLU  86           H        GLU  86   9.073   3.943  -7.349
  665    HA   GLU  86           HA       GLU  86   8.954   1.927  -9.332
  666   1HB   ARG  87          2HB       ARG  87   5.248  -0.644 -11.135
  667   2HB   ARG  87          1HB       ARG  87   3.945   0.473 -11.509
  668   1HG   ARG  87          2HG       ARG  87   5.894   2.163 -11.909
  669   2HG   ARG  87          1HG       ARG  87   6.857   0.696 -12.092
  670   1HD   ARG  87          2HD       ARG  87   5.122  -0.085 -13.754
  671   2HD   ARG  87          1HD       ARG  87   4.461   1.549 -13.698
  672   1HH1  ARG  87          2HH1      ARG  87   5.215   3.392 -13.559
  673   2HH1  ARG  87          1HH1      ARG  87   6.077   4.583 -14.475
  674   1HH2  ARG  87          2HH2      ARG  87   7.999   2.254 -16.239
  675   2HH2  ARG  87          1HH2      ARG  87   7.660   3.935 -15.998
  676    H    ARG  87           H        ARG  87   7.032   0.360  -9.376
  677    HA   ARG  87           HA       ARG  87   4.567   1.935  -9.721
  678    HE   ARG  87           HE       ARG  87   6.858   0.695 -15.027
  679   1HB   TRP  88          2HB       TRP  88   4.054   0.889  -5.239
  680   2HB   TRP  88          1HB       TRP  88   3.053  -0.426  -4.641
  681    H    TRP  88           H        TRP  88   3.719   1.609  -7.683
  682    HA   TRP  88           HA       TRP  88   2.870  -1.151  -7.107
  683    HD1  TRP  88           HD1      TRP  88   6.514   0.375  -5.049
  684    HE1  TRP  88           HE1      TRP  88   7.993  -1.731  -5.138
  685    HE3  TRP  88           HE3      TRP  88   2.888  -3.111  -5.922
  686    HZ2  TRP  88           HZ2      TRP  88   7.654  -4.513  -5.518
  687    HZ3  TRP  88           HZ3      TRP  88   3.546  -5.472  -6.137
  688    HH2  TRP  88           HH2      TRP  88   5.881  -6.156  -5.942
  689   1HB   ASP  89          2HB       ASP  89  -2.212  -0.973  -5.438
  690   2HB   ASP  89          1HB       ASP  89  -0.774  -1.734  -4.768
  691    H    ASP  89           H        ASP  89   1.224  -0.854  -5.060
  692    HA   ASP  89           HA       ASP  89  -0.950   0.722  -6.178
  693    H    ALA  90           H        ALA  90  -2.451   1.341  -4.004
  694    HA   ALA  90           HA       ALA  90  -0.730   3.026  -2.322
  695   1HB   ALA  90          1HB       ALA  90  -1.393   4.679  -3.751
  696   2HB   ALA  90          2HB       ALA  90  -2.708   4.741  -2.573
  697   3HB   ALA  90          3HB       ALA  90  -2.938   3.904  -4.109
  698   1HB   TYR  91          2HB       TYR  91  -0.870   1.582   1.716
  699   2HB   TYR  91          1HB       TYR  91  -2.225   1.378   2.820
  700    H    TYR  91           H        TYR  91  -1.086   2.560  -0.272
  701    HA   TYR  91           HA       TYR  91  -3.594   1.324   0.534
  702    HD1  TYR  91           HD1      TYR  91  -3.969  -0.483   1.471
  703    HD2  TYR  91           HD2      TYR  91   0.281  -0.423   1.629
  704    HE1  TYR  91           HE1      TYR  91  -3.929  -2.911   1.088
  705    HE2  TYR  91           HE2      TYR  91   0.335  -2.852   1.245
  706    HH   TYR  91           HH       TYR  91  -2.070  -4.842   1.716
  707   1HB   CYS  92          2HB       CYS  92  -6.914   4.394   0.494
  708   2HB   CYS  92          1HB       CYS  92  -6.903   6.009   1.183
  709    H    CYS  92           H        CYS  92  -4.804   3.326   0.142
  710    HA   CYS  92           HA       CYS  92  -4.398   5.723   1.485
  711   1HB   TYR  93          2HB       TYR  93  -4.618   4.827   5.632
  712   2HB   TYR  93          1HB       TYR  93  -4.761   6.561   5.907
  713    H    TYR  93           H        TYR  93  -6.059   6.594   3.114
  714    HA   TYR  93           HA       TYR  93  -7.060   4.774   5.082
  715    HD1  TYR  93           HD1      TYR  93  -6.940   7.085   7.522
  716    HD2  TYR  93           HD2      TYR  93  -4.544   3.569   7.555
  717    HE1  TYR  93           HE1      TYR  93  -7.604   6.664   9.850
  718    HE2  TYR  93           HE2      TYR  93  -5.201   3.136   9.883
  719    HH   TYR  93           HH       TYR  93  -6.038   4.393  11.826
  720   1HB   ASN  94          2HB       ASN  94  -9.266   8.709   4.344
  721   2HB   ASN  94          1HB       ASN  94 -10.560   7.517   4.405
  722   1HD2  ASN  94          1HD2      ASN  94  -9.754  10.777   4.663
  723   2HD2  ASN  94          2HD2      ASN  94 -11.282  11.362   5.220
  724    H    ASN  94           H        ASN  94  -8.763   5.691   6.048
  725    HA   ASN  94           HA       ASN  94  -8.874   8.453   6.734
  726   1HB   PRO  95          2HB       PRO  95 -12.330   8.642  10.915
  727   2HB   PRO  95          1HB       PRO  95 -10.853   7.753  11.306
  728   1HG   PRO  95          2HG       PRO  95 -11.210  10.186   9.614
  729   2HG   PRO  95          1HG       PRO  95  -9.907   9.788  10.747
  730   1HD   PRO  95          2HD       PRO  95  -9.589   9.566   8.090
  731   2HD   PRO  95          1HD       PRO  95  -8.826   8.428   9.220
  732    HA   PRO  95           HA       PRO  95 -11.491   6.324   9.653
  733   1HB   HIS  96          2HB       HIS  96 -13.845  10.692   7.056
  734   2HB   HIS  96          1HB       HIS  96 -15.393  10.374   6.280
  735    H    HIS  96           H        HIS  96 -12.461   8.943   7.544
  736    HA   HIS  96           HA       HIS  96 -15.288   8.259   7.946
  737    HD1  HIS  96           HD1      HIS  96 -17.272  11.475   7.429
  738    HD2  HIS  96           HD2      HIS  96 -14.229  10.475  10.076
  739    HE1  HIS  96           HE1      HIS  96 -18.040  12.298   9.679
  740    HE2  HIS  96           HE2      HIS  96 -16.229  11.589  11.280
  741    H    ALA  97           H        ALA  97 -13.022   6.938   6.259
  742    HA   ALA  97           HA       ALA  97 -14.142   7.081   3.589
  743   1HB   ALA  97          3HB       ALA  97 -11.739   5.817   4.814
  744   2HB   ALA  97          1HB       ALA  97 -11.867   6.871   3.405
  745   3HB   ALA  97          2HB       ALA  97 -12.345   5.177   3.286
  746   1HB   LYS  98          2HB       LYS  98 -17.527   5.492   6.666
  747   2HB   LYS  98          1HB       LYS  98 -18.732   4.498   5.858
  748   1HG   LYS  98          2HG       LYS  98 -18.665   3.182   7.643
  749   2HG   LYS  98          1HG       LYS  98 -17.077   2.656   7.085
  750   1HD   LYS  98          2HD       LYS  98 -16.402   3.365   9.113
  751   2HD   LYS  98          1HD       LYS  98 -16.422   4.956   8.350
  752   1HE   LYS  98          2HE       LYS  98 -19.046   4.238   9.302
  753   2HE   LYS  98          1HE       LYS  98 -17.858   4.140  10.602
  754    H    LYS  98           H        LYS  98 -16.043   6.212   5.343
  755    HA   LYS  98           HA       LYS  98 -16.172   3.337   5.384
  756   1HZ   LYS  98          1HZ       LYS  98 -18.170   6.499   8.830
  757   2HZ   LYS  98          3HZ       LYS  98 -18.914   6.354  10.343
  758   3HZ   LYS  98          2HZ       LYS  98 -17.227   6.389  10.229

  No H/Q in entry =         758
  Start of MODEL    4
    1   1HA   GLY   1          2HA       GLY   1 -10.345   1.707   7.944
    2   2HA   GLY   1          1HA       GLY   1  -9.029   2.361   8.906
    3    H1   GLY   1          3H        GLY   1 -10.075   4.559   7.713
    4    H2   GLY   1          2H        GLY   1 -11.450   3.625   8.031
    5    H3   GLY   1          1H        GLY   1 -10.406   4.048   9.292
    6    H    VAL   2           H        VAL   2  -7.448   1.401   7.618
    7    HA   VAL   2           HA       VAL   2  -6.743   2.932   5.275
    8    HB   VAL   2           HB       VAL   2  -4.869   2.445   6.566
    9   1HG1  VAL   2          2HG1      VAL   2  -6.361   0.220   7.411
   10   2HG1  VAL   2          1HG1      VAL   2  -4.845  -0.412   6.766
   11   3HG1  VAL   2          3HG1      VAL   2  -4.821   0.797   8.051
   12   1HG2  VAL   2          2HG2      VAL   2  -4.960   1.515   4.012
   13   2HG2  VAL   2          1HG2      VAL   2  -3.499   1.604   4.998
   14   3HG2  VAL   2          3HG2      VAL   2  -4.396   0.089   4.885
   15   1HB   TYR   3          2HB       TYR   3  -9.326   0.627   0.773
   16   2HB   TYR   3          1HB       TYR   3  -9.941   0.738   2.415
   17    H    TYR   3           H        TYR   3  -7.220   2.415   3.245
   18    HA   TYR   3           HA       TYR   3  -7.902  -0.383   2.652
   19    HD1  TYR   3           HD1      TYR   3  -8.704   3.048   3.570
   20    HD2  TYR   3           HD2      TYR   3  -9.966   2.455  -0.449
   21    HE1  TYR   3           HE1      TYR   3  -8.978   5.480   3.303
   22    HE2  TYR   3           HE2      TYR   3 -10.235   4.882  -0.729
   23    HH   TYR   3           HH       TYR   3  -9.050   7.139   1.555
   24   1HB   HIS   4          2HB       HIS   4  -4.429  -1.956  -0.913
   25   2HB   HIS   4          1HB       HIS   4  -5.953  -2.508  -0.233
   26    H    HIS   4           H        HIS   4  -7.583  -1.009   0.383
   27    HA   HIS   4           HA       HIS   4  -5.085   0.155  -0.615
   28    HD1  HIS   4           HD1      HIS   4  -7.845  -3.143  -1.938
   29    HD2  HIS   4           HD2      HIS   4  -4.158  -2.282  -3.650
   30    HE1  HIS   4           HE1      HIS   4  -7.984  -4.001  -4.298
   31    HE2  HIS   4           HE2      HIS   4  -5.750  -3.447  -5.324
   32   1HB   ARG   5          2HB       ARG   5  -6.030   3.324  -3.456
   33   2HB   ARG   5          1HB       ARG   5  -6.954   3.213  -4.946
   34   1HG   ARG   5          2HG       ARG   5  -7.973   2.290  -2.270
   35   2HG   ARG   5          1HG       ARG   5  -8.275   3.890  -2.949
   36   1HD   ARG   5          2HD       ARG   5  -9.112   2.517  -5.017
   37   2HD   ARG   5          1HD       ARG   5  -9.299   1.229  -3.826
   38   1HH1  ARG   5          2HH1      ARG   5 -10.683   0.378  -3.482
   39   2HH1  ARG   5          1HH1      ARG   5 -12.320   0.296  -2.923
   40   1HH2  ARG   5          1HH2      ARG   5 -12.751   3.762  -2.781
   41   2HH2  ARG   5          2HH2      ARG   5 -13.495   2.220  -2.525
   42    H    ARG   5           H        ARG   5  -4.877   0.949  -2.651
   43    HA   ARG   5           HA       ARG   5  -7.111   0.714  -4.515
   44    HE   ARG   5           HE       ARG   5 -10.595   3.860  -3.518
   45   1HB   GLU   6          2HB       GLU   6  -4.165  -0.257  -9.213
   46   2HB   GLU   6          1HB       GLU   6  -5.224  -0.959  -7.999
   47   1HG   GLU   6          2HG       GLU   6  -5.929   0.973 -10.183
   48   2HG   GLU   6          1HG       GLU   6  -6.526  -0.666  -9.936
   49    H    GLU   6           H        GLU   6  -6.547   0.986  -6.675
   50    HA   GLU   6           HA       GLU   6  -3.666   0.864  -7.188
   51    H    ALA   7           H        ALA   7  -3.567   1.558  -9.824
   52    HA   ALA   7           HA       ALA   7  -3.342   4.347  -9.722
   53   1HB   ALA   7          1HB       ALA   7  -3.643   2.934 -12.334
   54   2HB   ALA   7          2HB       ALA   7  -2.246   2.598 -11.311
   55   3HB   ALA   7          3HB       ALA   7  -2.547   4.239 -11.883
   56   1HB   ARG   8          2HB       ARG   8  -5.140   6.611 -13.497
   57   2HB   ARG   8          1HB       ARG   8  -6.765   6.326 -14.105
   58   1HG   ARG   8          2HG       ARG   8  -7.599   8.259 -13.191
   59   2HG   ARG   8          1HG       ARG   8  -6.358   8.328 -11.939
   60   1HD   ARG   8          2HD       ARG   8  -5.803   8.747 -14.869
   61   2HD   ARG   8          1HD       ARG   8  -6.147  10.058 -13.742
   62   1HH1  ARG   8          1HH1      ARG   8  -5.185  11.439 -13.690
   63   2HH1  ARG   8          2HH1      ARG   8  -3.704  12.232 -13.272
   64   1HH2  ARG   8          1HH2      ARG   8  -1.921   9.267 -12.763
   65   2HH2  ARG   8          2HH2      ARG   8  -1.848  10.998 -12.745
   66    H    ARG   8           H        ARG   8  -4.374   5.445 -11.962
   67    HA   ARG   8           HA       ARG   8  -6.884   6.298 -11.261
   68    HE   ARG   8           HE       ARG   8  -3.878   8.232 -13.313
   69   1HB   SER   9          2HB       SER   9  -9.548   2.353 -14.825
   70   2HB   SER   9          1HB       SER   9  -8.835   3.964 -14.739
   71    H    SER   9           H        SER   9  -6.012   3.526 -13.254
   72    HA   SER   9           HA       SER   9  -8.533   2.275 -12.744
   73    HG   SER   9           HG       SER   9  -6.959   2.858 -15.822
   74   1HA   GLY  10          2HA       GLY  10  -4.079   0.468 -14.564
   75   2HA   GLY  10          1HA       GLY  10  -5.436  -0.616 -14.287
   76    H    GLY  10           H        GLY  10  -5.330   2.161 -13.281
   77   1HB   LYS  11          2HB       LYS  11  -3.834  -3.970 -12.149
   78   2HB   LYS  11          1HB       LYS  11  -2.090  -3.889 -12.284
   79   1HG   LYS  11          2HG       LYS  11  -2.227  -5.284 -10.507
   80   2HG   LYS  11          1HG       LYS  11  -2.254  -3.743  -9.647
   81   1HD   LYS  11          2HD       LYS  11  -4.105  -4.591  -8.686
   82   2HD   LYS  11          1HD       LYS  11  -4.887  -4.069 -10.180
   83   1HE   LYS  11          2HE       LYS  11  -5.433  -6.167 -10.646
   84   2HE   LYS  11          1HE       LYS  11  -3.730  -6.625 -10.629
   85    H    LYS  11           H        LYS  11  -3.678  -2.024 -13.505
   86    HA   LYS  11           HA       LYS  11  -3.526  -1.887 -10.639
   87   1HZ   LYS  11          1HZ       LYS  11  -5.089  -6.332  -8.056
   88   2HZ   LYS  11          3HZ       LYS  11  -5.460  -7.695  -8.987
   89   3HZ   LYS  11          2HZ       LYS  11  -3.863  -7.402  -8.513
   90   1HB   TYR  12          2HB       TYR  12   1.148  -1.927 -11.148
   91   2HB   TYR  12          1HB       TYR  12   2.133  -1.199  -9.885
   92    H    TYR  12           H        TYR  12  -1.902  -1.125  -9.449
   93    HA   TYR  12           HA       TYR  12   0.110  -0.253  -8.850
   94    HD1  TYR  12           HD1      TYR  12   1.042  -1.808  -7.404
   95    HD2  TYR  12           HD2      TYR  12   0.897  -4.197 -10.921
   96    HE1  TYR  12           HE1      TYR  12   0.771  -3.819  -6.018
   97    HE2  TYR  12           HE2      TYR  12   0.619  -6.216  -9.545
   98    HH   TYR  12           HH       TYR  12   0.306  -7.014  -7.487
   99   1HB   LYS  13          2HB       LYS  13   0.319   2.574 -13.191
  100   2HB   LYS  13          1HB       LYS  13   1.766   2.326 -14.158
  101   1HG   LYS  13          2HG       LYS  13   0.919  -0.166 -13.030
  102   2HG   LYS  13          1HG       LYS  13  -0.427   0.609 -13.869
  103   1HD   LYS  13          2HD       LYS  13   0.514   0.334 -15.895
  104   2HD   LYS  13          1HD       LYS  13   2.135   0.703 -15.301
  105   1HE   LYS  13          2HE       LYS  13   2.626  -1.463 -14.898
  106   2HE   LYS  13          1HE       LYS  13   0.988  -1.844 -14.369
  107    H    LYS  13           H        LYS  13   2.274   0.095 -10.990
  108    HA   LYS  13           HA       LYS  13   3.048   1.742 -12.349
  109   1HZ   LYS  13          3HZ       LYS  13   0.332  -1.734 -16.757
  110   2HZ   LYS  13          2HZ       LYS  13   1.972  -1.628 -17.158
  111   3HZ   LYS  13          1HZ       LYS  13   1.380  -3.006 -16.377
  112   1HB   LEU  14          2HB       LEU  14   0.922   3.203  -7.594
  113   2HB   LEU  14          1HB       LEU  14   0.768   4.932  -7.393
  114    H    LEU  14           H        LEU  14   1.890   2.284  -9.572
  115    HA   LEU  14           HA       LEU  14   1.395   5.159  -9.831
  116    HG   LEU  14           HG       LEU  14  -0.796   3.565  -9.541
  117   1HD1  LEU  14          3HD1      LEU  14  -1.033   3.079  -6.693
  118   2HD1  LEU  14          2HD1      LEU  14  -2.513   3.749  -7.383
  119   3HD1  LEU  14          1HD1      LEU  14  -1.819   2.269  -8.049
  120   1HD2  LEU  14          2HD2      LEU  14  -0.567   6.181  -8.599
  121   2HD2  LEU  14          1HD2      LEU  14  -1.776   5.551  -9.718
  122   3HD2  LEU  14          3HD2      LEU  14  -2.117   5.600  -7.988
  123    H    THR  15           H        THR  15   2.501   6.642  -8.475
  124    HA   THR  15           HA       THR  15   5.155   5.692  -7.619
  125    HB   THR  15           HB       THR  15   5.996   7.942  -7.986
  126    HG1  THR  15           HG1      THR  15   3.459   8.633  -7.804
  127   1HG2  THR  15          2HG2      THR  15   5.780   6.281  -9.905
  128   2HG2  THR  15          1HG2      THR  15   4.387   7.227 -10.428
  129   3HG2  THR  15          3HG2      THR  15   5.981   7.976 -10.349
  130   1HB   TYR  16          2HB       TYR  16   6.860   7.908  -3.747
  131   2HB   TYR  16          1HB       TYR  16   6.608   9.544  -4.346
  132    H    TYR  16           H        TYR  16   5.797   8.107  -6.216
  133    HA   TYR  16           HA       TYR  16   4.428   7.538  -3.733
  134    HD1  TYR  16           HD1      TYR  16   5.448   7.384  -1.520
  135    HD2  TYR  16           HD2      TYR  16   6.696  11.246  -2.796
  136    HE1  TYR  16           HE1      TYR  16   5.280   8.193   0.793
  137    HE2  TYR  16           HE2      TYR  16   6.530  12.069  -0.484
  138    HH   TYR  16           HH       TYR  16   5.159  11.349   1.634
  139    H    ALA  17           H        ALA  17   5.000  10.441  -5.706
  140    HA   ALA  17           HA       ALA  17   3.197  12.082  -4.260
  141   1HB   ALA  17          3HB       ALA  17   5.066  12.921  -5.659
  142   2HB   ALA  17          2HB       ALA  17   4.157  12.440  -7.094
  143   3HB   ALA  17          1HB       ALA  17   3.519  13.688  -6.021
  144   1HB   GLU  18          2HB       GLU  18   1.868   8.304  -8.295
  145   2HB   GLU  18          1HB       GLU  18   0.224   8.485  -8.894
  146   1HG   GLU  18          2HG       GLU  18   0.816  10.241 -10.320
  147   2HG   GLU  18          1HG       GLU  18   2.348  10.513  -9.492
  148    H    GLU  18           H        GLU  18   2.847   9.875  -6.928
  149    HA   GLU  18           HA       GLU  18   0.285  10.815  -7.788
  150    H    ALA  19           H        ALA  19   1.345   7.940  -5.986
  151    HA   ALA  19           HA       ALA  19  -1.119   6.868  -5.361
  152   1HB   ALA  19          2HB       ALA  19   0.343   5.395  -4.549
  153   2HB   ALA  19          3HB       ALA  19   0.427   6.405  -3.105
  154   3HB   ALA  19          1HB       ALA  19   1.601   6.625  -4.405
  155   1HB   LYS  20          2HB       LYS  20   1.380  10.502  -1.710
  156   2HB   LYS  20          1HB       LYS  20   0.651  11.836  -2.592
  157   1HG   LYS  20          2HG       LYS  20  -0.328  12.725  -0.720
  158   2HG   LYS  20          1HG       LYS  20  -0.375  11.175   0.122
  159   1HD   LYS  20          2HD       LYS  20   2.306  11.549  -0.188
  160   2HD   LYS  20          1HD       LYS  20   1.738  13.206   0.027
  161   1HE   LYS  20          2HE       LYS  20   1.009  10.940   1.871
  162   2HE   LYS  20          1HE       LYS  20   2.383  12.010   2.139
  163    H    LYS  20           H        LYS  20   0.732   9.310  -3.588
  164    HA   LYS  20           HA       LYS  20  -0.994   9.604  -1.421
  165   1HZ   LYS  20          3HZ       LYS  20  -0.323  13.114   1.746
  166   2HZ   LYS  20          2HZ       LYS  20   0.164  12.556   3.267
  167   3HZ   LYS  20          1HZ       LYS  20   1.010  13.816   2.518
  168    H    ALA  21           H        ALA  21  -0.892  11.262  -4.547
  169    HA   ALA  21           HA       ALA  21  -2.932  13.134  -4.010
  170   1HB   ALA  21          3HB       ALA  21  -3.130  13.113  -6.588
  171   2HB   ALA  21          1HB       ALA  21  -1.737  12.033  -6.523
  172   3HB   ALA  21          2HB       ALA  21  -1.623  13.659  -5.852
  173    H    VAL  22           H        VAL  22  -3.024   9.960  -5.605
  174    HA   VAL  22           HA       VAL  22  -5.701   9.863  -6.287
  175    HB   VAL  22           HB       VAL  22  -3.586   7.879  -5.770
  176   1HG1  VAL  22          3HG1      VAL  22  -5.357   6.988  -4.359
  177   2HG1  VAL  22          2HG1      VAL  22  -6.488   7.078  -5.710
  178   3HG1  VAL  22          1HG1      VAL  22  -5.112   5.976  -5.785
  179   1HG2  VAL  22          2HG2      VAL  22  -4.059   8.756  -7.992
  180   2HG2  VAL  22          1HG2      VAL  22  -4.349   7.017  -7.923
  181   3HG2  VAL  22          3HG2      VAL  22  -5.708   8.140  -7.894
  182   1HB   CYS  23          2HB       CYS  23  -3.684   9.199  -1.162
  183   2HB   CYS  23          1HB       CYS  23  -4.884   9.401   0.110
  184    H    CYS  23           H        CYS  23  -4.133   9.271  -3.211
  185    HA   CYS  23           HA       CYS  23  -6.342   8.154  -1.852
  186   1HB   GLU  24          2HB       GLU  24  -5.112  13.807  -2.174
  187   2HB   GLU  24          1HB       GLU  24  -6.178  14.754  -1.147
  188   1HG   GLU  24          2HG       GLU  24  -4.959  14.358   0.728
  189   2HG   GLU  24          1HG       GLU  24  -4.404  12.781   0.170
  190    H    GLU  24           H        GLU  24  -4.971  11.430  -1.719
  191    HA   GLU  24           HA       GLU  24  -6.992  12.576  -0.161
  192   1HB   PHE  25          2HB       PHE  25  -7.426  12.788  -5.772
  193   2HB   PHE  25          1HB       PHE  25  -7.950  11.107  -5.745
  194    H    PHE  25           H        PHE  25  -7.061  11.544  -3.396
  195    HA   PHE  25           HA       PHE  25  -9.233  13.335  -4.150
  196    HD1  PHE  25           HD1      PHE  25  -9.066  14.542  -6.571
  197    HD2  PHE  25           HD2      PHE  25  -9.679  10.368  -7.125
  198    HE1  PHE  25           HE1      PHE  25 -10.689  15.021  -8.358
  199    HE2  PHE  25           HE2      PHE  25 -11.303  10.839  -8.913
  200    HZ   PHE  25           HZ       PHE  25 -11.811  13.169  -9.531
  201   1HB   GLU  26          2HB       GLU  26  -8.951   7.790  -2.971
  202   2HB   GLU  26          1HB       GLU  26 -10.526   7.044  -2.743
  203   1HG   GLU  26          2HG       GLU  26 -10.721   7.821  -5.320
  204   2HG   GLU  26          1HG       GLU  26  -8.990   7.512  -5.202
  205    H    GLU  26           H        GLU  26  -8.674  10.016  -3.217
  206    HA   GLU  26           HA       GLU  26 -11.415   9.254  -3.837
  207   1HA   GLY  27          1HA       GLY  27 -12.023  10.055   0.508
  208   2HA   GLY  27          2HA       GLY  27 -11.019  11.494   0.606
  209    H    GLY  27           H        GLY  27  -9.868  10.777  -1.345
  210   1HA   GLY  28          2HA       GLY  28  -7.999   8.527   2.341
  211   2HA   GLY  28          1HA       GLY  28  -8.168   9.917   3.409
  212    H    GLY  28           H        GLY  28  -8.608  10.941   0.913
  213   1HB   HIS  29          2HB       HIS  29  -2.592  10.794   3.477
  214   2HB   HIS  29          1HB       HIS  29  -4.052  11.717   3.133
  215    H    HIS  29           H        HIS  29  -5.776   8.655   3.347
  216    HA   HIS  29           HA       HIS  29  -4.029  10.045   1.483
  217    HD1  HIS  29           HD1      HIS  29  -6.101  11.311   4.757
  218    HD2  HIS  29           HD2      HIS  29  -2.504   9.619   5.966
  219    HE1  HIS  29           HE1      HIS  29  -6.409  10.744   7.187
  220    HE2  HIS  29           HE2      HIS  29  -4.191   9.798   7.919
  221   1HB   LEU  30          2HB       LEU  30   0.558   8.847   2.252
  222   2HB   LEU  30          1HB       LEU  30   1.056   7.170   2.243
  223    H    LEU  30           H        LEU  30  -1.661   9.428   1.986
  224    HA   LEU  30           HA       LEU  30  -1.432   6.634   1.840
  225    HG   LEU  30           HG       LEU  30  -0.277   8.633  -0.038
  226   1HD1  LEU  30          1HD1      LEU  30   2.210   9.053   0.601
  227   2HD1  LEU  30          3HD1      LEU  30   2.468   7.456  -0.102
  228   3HD1  LEU  30          2HD1      LEU  30   1.775   8.749  -1.081
  229   1HD2  LEU  30          2HD2      LEU  30  -0.181   5.861   0.546
  230   2HD2  LEU  30          1HD2      LEU  30  -0.796   6.662  -0.900
  231   3HD2  LEU  30          3HD2      LEU  30   0.895   6.170  -0.816
  232    H    ALA  31           H        ALA  31  -1.880   5.304   3.471
  233    HA   ALA  31           HA       ALA  31  -1.875   5.978   6.190
  234   1HB   ALA  31          1HB       ALA  31  -2.118   3.482   4.636
  235   2HB   ALA  31          3HB       ALA  31  -1.655   3.318   6.330
  236   3HB   ALA  31          2HB       ALA  31  -3.155   4.141   5.901
  237    H    THR  32           H        THR  32  -0.587   3.956   7.513
  238    HA   THR  32           HA       THR  32   2.264   4.424   6.944
  239    HB   THR  32           HB       THR  32   2.721   5.200   9.005
  240    HG1  THR  32           HG1      THR  32   0.607   3.798  10.260
  241   1HG2  THR  32          1HG2      THR  32  -0.208   5.682   8.667
  242   2HG2  THR  32          3HG2      THR  32   0.590   6.189  10.155
  243   3HG2  THR  32          2HG2      THR  32   1.131   6.827   8.603
  244   1HB   TYR  33          2HB       TYR  33   5.346   1.298   8.131
  245   2HB   TYR  33          1HB       TYR  33   4.928   0.953   9.803
  246    H    TYR  33           H        TYR  33   3.663   2.873   8.274
  247    HA   TYR  33           HA       TYR  33   3.079   0.241   7.536
  248    HD1  TYR  33           HD1      TYR  33   5.524  -0.632   6.504
  249    HD2  TYR  33           HD2      TYR  33   5.218  -1.200  10.710
  250    HE1  TYR  33           HE1      TYR  33   6.396  -2.916   6.253
  251    HE2  TYR  33           HE2      TYR  33   6.090  -3.487  10.469
  252    HH   TYR  33           HH       TYR  33   7.191  -4.897   9.032
  253   1HB   LYS  34          2HB       LYS  34   2.506   2.299  12.686
  254   2HB   LYS  34          1HB       LYS  34   0.883   1.911  13.233
  255   1HG   LYS  34          2HG       LYS  34   1.770   0.149  14.662
  256   2HG   LYS  34          1HG       LYS  34   3.403   0.507  14.098
  257   1HD   LYS  34          2HD       LYS  34   2.038   2.879  15.061
  258   2HD   LYS  34          1HD       LYS  34   2.134   1.621  16.295
  259   1HE   LYS  34          2HE       LYS  34   4.600   2.077  14.755
  260   2HE   LYS  34          1HE       LYS  34   4.097   3.413  15.789
  261    H    LYS  34           H        LYS  34   3.037   1.713  10.775
  262    HA   LYS  34           HA       LYS  34   2.119  -0.467  12.210
  263   1HZ   LYS  34          2HZ       LYS  34   3.921   0.886  17.115
  264   2HZ   LYS  34          1HZ       LYS  34   5.493   1.210  16.579
  265   3HZ   LYS  34          3HZ       LYS  34   4.704   2.305  17.601
  266   1HB   GLN  35          2HB       GLN  35  -1.481   2.573   8.751
  267   2HB   GLN  35          1HB       GLN  35  -3.112   2.451   9.386
  268   1HG   GLN  35          2HG       GLN  35  -2.365   3.661  11.412
  269   2HG   GLN  35          1HG       GLN  35  -0.789   3.874  10.654
  270   1HE2  GLN  35          1HE2      GLN  35  -2.995   5.748  11.502
  271   2HE2  GLN  35          2HE2      GLN  35  -3.263   6.743  10.115
  272    H    GLN  35           H        GLN  35   0.240   2.054  10.558
  273    HA   GLN  35           HA       GLN  35  -2.302   1.122  11.274
  274   1HB   LEU  36          2HB       LEU  36   0.876  -0.714   7.125
  275   2HB   LEU  36          1HB       LEU  36   0.685  -2.445   6.936
  276    H    LEU  36           H        LEU  36  -0.093   0.221   8.700
  277    HA   LEU  36           HA       LEU  36  -1.917  -1.382   7.233
  278    HG   LEU  36           HG       LEU  36   0.733  -1.368   4.765
  279   1HD1  LEU  36          2HD1      LEU  36  -1.396  -3.007   5.722
  280   2HD1  LEU  36          1HD1      LEU  36  -2.023  -1.910   4.489
  281   3HD1  LEU  36          3HD1      LEU  36  -0.660  -2.967   4.119
  282   1HD2  LEU  36          1HD2      LEU  36  -0.799   0.621   6.072
  283   2HD2  LEU  36          3HD2      LEU  36  -0.147   0.636   4.434
  284   3HD2  LEU  36          2HD2      LEU  36  -1.761  -0.010   4.735
  285   1HB   GLU  37          2HB       GLU  37   1.456  -3.283  11.589
  286   2HB   GLU  37          1HB       GLU  37   0.042  -2.671  12.429
  287   1HG   GLU  37          2HG       GLU  37   0.808  -4.281  13.877
  288   2HG   GLU  37          1HG       GLU  37  -0.425  -5.150  12.962
  289    H    GLU  37           H        GLU  37   0.004  -1.861  10.070
  290    HA   GLU  37           HA       GLU  37   0.021  -4.679  10.168
  291    H    ALA  38           H        ALA  38  -2.011  -2.352  11.912
  292    HA   ALA  38           HA       ALA  38  -3.806  -4.154  13.042
  293   1HB   ALA  38          1HB       ALA  38  -3.673  -1.757  13.630
  294   2HB   ALA  38          2HB       ALA  38  -5.324  -2.279  13.294
  295   3HB   ALA  38          3HB       ALA  38  -4.428  -1.356  12.088
  296    H    ALA  39           H        ALA  39  -3.628  -2.827   9.822
  297    HA   ALA  39           HA       ALA  39  -6.205  -3.603   8.934
  298   1HB   ALA  39          1HB       ALA  39  -3.734  -3.342   7.225
  299   2HB   ALA  39          2HB       ALA  39  -4.679  -1.963   7.788
  300   3HB   ALA  39          3HB       ALA  39  -5.416  -3.162   6.726
  301   1HB   ARG  40          2HB       ARG  40  -1.570  -6.740   7.877
  302   2HB   ARG  40          1HB       ARG  40  -1.552  -7.232   9.566
  303   1HG   ARG  40          2HG       ARG  40  -2.412  -9.288   7.640
  304   2HG   ARG  40          1HG       ARG  40  -0.723  -8.788   7.540
  305   1HD   ARG  40          2HD       ARG  40  -2.101  -9.692  10.064
  306   2HD   ARG  40          1HD       ARG  40  -1.098 -10.723   9.046
  307   1HH1  ARG  40          2HH1      ARG  40   0.233 -11.641   9.397
  308   2HH1  ARG  40          1HH1      ARG  40   1.821 -11.835  10.059
  309   1HH2  ARG  40          1HH2      ARG  40   2.025  -8.570  11.291
  310   2HH2  ARG  40          2HH2      ARG  40   2.840 -10.091  11.136
  311    H    ARG  40           H        ARG  40  -3.117  -5.200   9.207
  312    HA   ARG  40           HA       ARG  40  -3.956  -7.560   7.761
  313    HE   ARG  40           HE       ARG  40  -0.067  -8.322  10.414
  314   1HB   LYS  41          2HB       LYS  41  -4.820  -5.958  12.935
  315   2HB   LYS  41          1HB       LYS  41  -5.353  -7.186  14.071
  316   1HG   LYS  41          2HG       LYS  41  -2.842  -7.799  14.208
  317   2HG   LYS  41          1HG       LYS  41  -2.593  -6.194  13.520
  318   1HD   LYS  41          2HD       LYS  41  -3.464  -5.119  15.375
  319   2HD   LYS  41          1HD       LYS  41  -4.379  -6.537  15.893
  320   1HE   LYS  41          2HE       LYS  41  -2.364  -7.645  16.596
  321   2HE   LYS  41          1HE       LYS  41  -1.372  -6.344  15.937
  322    H    LYS  41           H        LYS  41  -3.675  -6.461  11.062
  323    HA   LYS  41           HA       LYS  41  -3.919  -8.773  12.513
  324   1HZ   LYS  41          3HZ       LYS  41  -3.286  -5.323  17.764
  325   2HZ   LYS  41          2HZ       LYS  41  -2.365  -6.536  18.499
  326   3HZ   LYS  41          1HZ       LYS  41  -1.598  -5.198  17.804
  327   1HG1  ILE  42          2HG1      ILE  42  -8.507  -5.488   9.128
  328   2HG1  ILE  42          1HG1      ILE  42  -7.716  -7.003   8.703
  329    H    ILE  42           H        ILE  42  -6.320  -7.133  10.600
  330    HA   ILE  42           HA       ILE  42  -8.465  -8.822  11.632
  331    HB   ILE  42           HB       ILE  42  -9.996  -7.465  10.432
  332   1HG2  ILE  42          1HG2      ILE  42  -7.803  -5.749  11.582
  333   2HG2  ILE  42          3HG2      ILE  42  -9.435  -5.187  11.219
  334   3HG2  ILE  42          2HG2      ILE  42  -9.182  -6.429  12.445
  335   1HD1  ILE  42          1HD1      ILE  42 -10.673  -6.824   8.485
  336   2HD1  ILE  42          3HD1      ILE  42  -9.671  -6.048   7.258
  337   3HD1  ILE  42          2HD1      ILE  42  -9.525  -7.782   7.549
  338   1HA   GLY  43          1HA       GLY  43  -7.914 -10.611   7.483
  339   2HA   GLY  43          2HA       GLY  43  -6.161 -10.580   7.598
  340    H    GLY  43           H        GLY  43  -6.503  -8.355   8.762
  341   1HB   PHE  44          2HB       PHE  44  -5.848  -5.657   6.193
  342   2HB   PHE  44          1HB       PHE  44  -4.305  -6.105   5.477
  343    H    PHE  44           H        PHE  44  -5.548  -8.004   6.938
  344    HA   PHE  44           HA       PHE  44  -6.903  -7.270   4.491
  345    HD1  PHE  44           HD1      PHE  44  -6.903  -6.185   3.073
  346    HD2  PHE  44           HD2      PHE  44  -4.271  -3.550   5.134
  347    HE1  PHE  44           HE1      PHE  44  -7.225  -4.494   1.315
  348    HE2  PHE  44           HE2      PHE  44  -4.589  -1.856   3.381
  349    HZ   PHE  44           HZ       PHE  44  -6.068  -2.325   1.469
  350   1HB   HIS  45          2HB       HIS  45  -5.428 -11.516   2.805
  351   2HB   HIS  45          1HB       HIS  45  -6.414 -10.923   1.474
  352    H    HIS  45           H        HIS  45  -6.574  -8.970   3.067
  353    HA   HIS  45           HA       HIS  45  -3.814  -9.689   2.408
  354    HD1  HIS  45           HD1      HIS  45  -6.168 -13.028   0.060
  355    HD2  HIS  45           HD2      HIS  45  -2.535 -11.284   1.068
  356    HE1  HIS  45           HE1      HIS  45  -4.445 -14.195  -1.351
  357    HE2  HIS  45           HE2      HIS  45  -2.271 -13.050  -0.799
  358    H    VAL  46           H        VAL  46  -2.820  -8.829   0.718
  359    HA   VAL  46           HA       VAL  46  -4.031  -8.384  -1.794
  360    HB   VAL  46           HB       VAL  46  -5.112  -6.467  -1.044
  361   1HG1  VAL  46          1HG1      VAL  46  -3.167  -6.509   1.005
  362   2HG1  VAL  46          3HG1      VAL  46  -3.115  -4.911   0.262
  363   3HG1  VAL  46          2HG1      VAL  46  -4.632  -5.533   0.909
  364   1HG2  VAL  46          3HG2      VAL  46  -3.285  -6.165  -2.933
  365   2HG2  VAL  46          2HG2      VAL  46  -4.242  -4.807  -2.343
  366   3HG2  VAL  46          1HG2      VAL  46  -2.598  -5.052  -1.751
  367   1HB   CYS  47          2HB       CYS  47  -0.123  -9.222  -5.094
  368   2HB   CYS  47          1HB       CYS  47   0.769 -10.114  -3.864
  369    H    CYS  47           H        CYS  47  -2.404  -8.874  -3.093
  370    HA   CYS  47           HA       CYS  47   0.337  -8.581  -2.275
  371    H    ALA  48           H        ALA  48  -1.713  -6.316  -3.237
  372    HA   ALA  48           HA       ALA  48   0.034  -4.997  -5.165
  373   1HB   ALA  48          3HB       ALA  48  -2.534  -5.096  -5.330
  374   2HB   ALA  48          1HB       ALA  48  -1.726  -3.563  -5.663
  375   3HB   ALA  48          2HB       ALA  48  -2.511  -3.827  -4.105
  376    H    ALA  49           H        ALA  49   1.802  -4.480  -3.868
  377    HA   ALA  49           HA       ALA  49   1.902  -3.383  -1.378
  378   1HB   ALA  49          3HB       ALA  49   4.035  -3.577  -2.002
  379   2HB   ALA  49          2HB       ALA  49   3.636  -3.390  -3.710
  380   3HB   ALA  49          1HB       ALA  49   3.860  -1.965  -2.696
  381   1HA   GLY  50          2HA       GLY  50  -0.451   0.227  -0.608
  382   2HA   GLY  50          1HA       GLY  50   0.182   0.571  -2.210
  383    H    GLY  50           H        GLY  50   1.055  -1.630  -0.464
  384   1HB   TRP  51          2HB       TRP  51   1.780   4.725  -2.315
  385   2HB   TRP  51          1HB       TRP  51   3.246   5.304  -1.528
  386    H    TRP  51           H        TRP  51   1.328   2.376  -2.276
  387    HA   TRP  51           HA       TRP  51   3.599   2.889  -0.761
  388    HD1  TRP  51           HD1      TRP  51   2.045   3.339  -4.543
  389    HE1  TRP  51           HE1      TRP  51   4.051   2.856  -6.087
  390    HE3  TRP  51           HE3      TRP  51   5.832   4.907  -1.481
  391    HZ2  TRP  51           HZ2      TRP  51   6.859   3.115  -6.019
  392    HZ3  TRP  51           HZ3      TRP  51   8.150   4.756  -2.299
  393    HH2  TRP  51           HH2      TRP  51   8.650   3.880  -4.522
  394   1HB   MET  52          2HB       MET  52   2.538   4.420   4.529
  395   2HB   MET  52          1HB       MET  52   1.801   3.330   3.364
  396   1HG   MET  52          2HG       MET  52   3.919   2.433   2.749
  397   2HG   MET  52          1HG       MET  52   4.770   3.659   3.687
  398    H    MET  52           H        MET  52   4.029   4.396   0.916
  399    HA   MET  52           HA       MET  52   1.804   5.515   2.397
  400   1HE   MET  52          3HE       MET  52   4.005   0.461   3.231
  401   2HE   MET  52          2HE       MET  52   4.575  -0.288   4.722
  402   3HE   MET  52          1HE       MET  52   2.845  -0.098   4.435
  403    H    ALA  53           H        ALA  53   3.008   6.201   4.721
  404    HA   ALA  53           HA       ALA  53   4.453   8.466   4.132
  405   1HB   ALA  53          3HB       ALA  53   4.764   8.744   6.406
  406   2HB   ALA  53          1HB       ALA  53   4.967   7.017   6.695
  407   3HB   ALA  53          2HB       ALA  53   3.366   7.671   6.351
  408   1HB   LYS  54          2HB       LYS  54   8.222   6.830   5.842
  409   2HB   LYS  54          1HB       LYS  54   9.270   6.048   4.669
  410   1HG   LYS  54          2HG       LYS  54  10.957   6.859   5.865
  411   2HG   LYS  54          1HG       LYS  54  10.562   8.422   5.150
  412   1HD   LYS  54          2HD       LYS  54   9.387   9.127   7.033
  413   2HD   LYS  54          1HD       LYS  54   9.174   7.480   7.633
  414   1HE   LYS  54          2HE       LYS  54  10.940   7.805   8.941
  415   2HE   LYS  54          1HE       LYS  54  11.934   7.854   7.485
  416    H    LYS  54           H        LYS  54   6.649   9.044   4.291
  417    HA   LYS  54           HA       LYS  54   8.888   8.820   3.970
  418   1HZ   LYS  54          2HZ       LYS  54  10.660  10.351   7.926
  419   2HZ   LYS  54          1HZ       LYS  54  11.546   9.893   9.291
  420   3HZ   LYS  54          3HZ       LYS  54  12.308  10.003   7.783
  421   1HA   GLY  55          1HA       GLY  55   8.409   6.670   0.102
  422   2HA   GLY  55          2HA       GLY  55   6.658   6.494   0.084
  423    H    GLY  55           H        GLY  55   6.606   7.144   2.315
  424   1HB   ARG  56          2HB       ARG  56   7.904   3.199   4.228
  425   2HB   ARG  56          1HB       ARG  56   6.279   2.603   3.916
  426   1HG   ARG  56          2HG       ARG  56   7.017   0.383   3.704
  427   2HG   ARG  56          1HG       ARG  56   8.707   0.874   3.569
  428   1HD   ARG  56          2HD       ARG  56   7.293   1.688   6.032
  429   2HD   ARG  56          1HD       ARG  56   7.607  -0.036   5.843
  430   1HH1  ARG  56          1HH1      ARG  56   7.758   2.479   7.447
  431   2HH1  ARG  56          2HH1      ARG  56   8.986   3.160   8.461
  432   1HH2  ARG  56          1HH2      ARG  56  11.632   1.584   6.804
  433   2HH2  ARG  56          2HH2      ARG  56  11.189   2.650   8.095
  434    H    ARG  56           H        ARG  56   7.089   4.819   2.657
  435    HA   ARG  56           HA       ARG  56   8.476   2.479   1.854
  436    HE   ARG  56           HE       ARG  56  10.006   0.694   5.475
  437    H    VAL  57           H        VAL  57   7.724   0.531   1.057
  438    HA   VAL  57           HA       VAL  57   4.912   0.433   0.211
  439    HB   VAL  57           HB       VAL  57   5.352   0.281  -1.974
  440   1HG1  VAL  57          1HG1      VAL  57   7.922   1.325  -0.881
  441   2HG1  VAL  57          3HG1      VAL  57   7.779   1.014  -2.610
  442   3HG1  VAL  57          2HG1      VAL  57   6.680   2.149  -1.825
  443   1HG2  VAL  57          3HG2      VAL  57   7.682  -1.501  -1.280
  444   2HG2  VAL  57          2HG2      VAL  57   6.077  -2.006  -1.806
  445   3HG2  VAL  57          1HG2      VAL  57   7.143  -1.152  -2.921
  446   1HA   GLY  58          2HA       GLY  58   4.837  -3.463   2.094
  447   2HA   GLY  58          1HA       GLY  58   5.400  -3.987   0.514
  448    H    GLY  58           H        GLY  58   3.945  -1.534   0.347
  449   1HB   TYR  59          2HB       TYR  59   1.208  -7.361  -0.943
  450   2HB   TYR  59          1HB       TYR  59   1.559  -5.745  -1.551
  451    H    TYR  59           H        TYR  59   3.979  -5.845   1.043
  452    HA   TYR  59           HA       TYR  59   1.134  -5.273   0.663
  453    HD1  TYR  59           HD1      TYR  59   4.021  -5.049  -1.734
  454    HD2  TYR  59           HD2      TYR  59   2.784  -9.088  -1.163
  455    HE1  TYR  59           HE1      TYR  59   6.200  -5.830  -2.559
  456    HE2  TYR  59           HE2      TYR  59   4.960  -9.872  -1.994
  457    HH   TYR  59           HH       TYR  59   7.119  -9.203  -2.423
  458   1HB   PRO  60          2HB       PRO  60  -1.008  -7.736   4.995
  459   2HB   PRO  60          1HB       PRO  60   0.435  -6.876   5.532
  460   1HG   PRO  60          2HG       PRO  60  -1.609  -6.079   3.516
  461   2HG   PRO  60          1HG       PRO  60  -0.747  -5.079   4.697
  462   1HD   PRO  60          2HD       PRO  60  -0.087  -5.114   2.082
  463   2HD   PRO  60          1HD       PRO  60   1.122  -4.891   3.360
  464    HA   PRO  60           HA       PRO  60   1.557  -8.254   4.108
  465   1HG1  ILE  61          2HG1      ILE  61   2.258 -10.349   0.903
  466   2HG1  ILE  61          1HG1      ILE  61   2.230 -11.425  -0.490
  467    H    ILE  61           H        ILE  61   1.545 -10.068   2.737
  468    HA   ILE  61           HA       ILE  61  -0.959 -10.939   1.557
  469    HB   ILE  61           HB       ILE  61   1.558 -12.571   1.602
  470   1HG2  ILE  61          3HG2      ILE  61  -0.992 -12.830   0.422
  471   2HG2  ILE  61          2HG2      ILE  61   0.157 -12.522  -0.881
  472   3HG2  ILE  61          1HG2      ILE  61   0.415 -13.876   0.219
  473   1HD1  ILE  61          1HD1      ILE  61  -0.167  -9.769   0.091
  474   2HD1  ILE  61          3HD1      ILE  61   1.249  -9.015  -0.642
  475   3HD1  ILE  61          2HD1      ILE  61   0.451 -10.364  -1.451
  476    H    VAL  62           H        VAL  62  -2.393 -12.083   2.646
  477    HA   VAL  62           HA       VAL  62  -1.559 -13.562   5.029
  478    HB   VAL  62           HB       VAL  62  -4.287 -12.742   4.033
  479   1HG1  VAL  62          1HG1      VAL  62  -3.587 -14.909   5.760
  480   2HG1  VAL  62          3HG1      VAL  62  -4.438 -13.674   6.688
  481   3HG1  VAL  62          2HG1      VAL  62  -5.185 -14.367   5.249
  482   1HG2  VAL  62          3HG2      VAL  62  -2.561 -11.155   5.232
  483   2HG2  VAL  62          2HG2      VAL  62  -4.279 -11.103   5.629
  484   3HG2  VAL  62          1HG2      VAL  62  -3.158 -11.973   6.676
  485   1HB   LYS  63          2HB       LYS  63  -5.172 -15.494   1.705
  486   2HB   LYS  63          1HB       LYS  63  -4.565 -15.763   0.078
  487   1HG   LYS  63          2HG       LYS  63  -4.572 -18.183   0.488
  488   2HG   LYS  63          1HG       LYS  63  -5.227 -17.894   2.101
  489   1HD   LYS  63          2HD       LYS  63  -7.286 -17.248   1.298
  490   2HD   LYS  63          1HD       LYS  63  -6.638 -16.748  -0.264
  491   1HE   LYS  63          2HE       LYS  63  -7.926 -18.732  -0.597
  492   2HE   LYS  63          1HE       LYS  63  -6.223 -19.145  -0.788
  493    H    LYS  63           H        LYS  63  -2.997 -14.009   1.860
  494    HA   LYS  63           HA       LYS  63  -2.992 -16.921   2.317
  495   1HZ   LYS  63          2HZ       LYS  63  -6.276 -19.916   1.565
  496   2HZ   LYS  63          1HZ       LYS  63  -7.954 -19.709   1.552
  497   3HZ   LYS  63          3HZ       LYS  63  -7.233 -20.831   0.511
  498   1HB   PRO  64          2HB       PRO  64   0.913 -19.056   0.179
  499   2HB   PRO  64          1HB       PRO  64   2.067 -17.722   0.130
  500   1HG   PRO  64          2HG       PRO  64   1.118 -18.652   2.449
  501   2HG   PRO  64          1HG       PRO  64   1.441 -16.928   2.206
  502   1HD   PRO  64          2HD       PRO  64  -1.162 -18.383   2.252
  503   2HD   PRO  64          1HD       PRO  64  -0.768 -16.750   2.828
  504    HA   PRO  64           HA       PRO  64   0.497 -16.223  -0.599
  505   1HA   GLY  65          2HA       GLY  65  -1.196 -18.265  -4.015
  506   2HA   GLY  65          1HA       GLY  65  -0.071 -19.576  -3.692
  507    H    GLY  65           H        GLY  65   1.115 -17.371  -2.573
  508   1HB   PRO  66          2HB       PRO  66   0.353 -18.578  -9.453
  509   2HB   PRO  66          1HB       PRO  66   0.979 -20.008  -8.628
  510   1HG   PRO  66          2HG       PRO  66  -1.649 -18.617  -8.281
  511   2HG   PRO  66          1HG       PRO  66  -1.304 -20.355  -8.360
  512   1HD   PRO  66          2HD       PRO  66  -1.729 -19.065  -6.020
  513   2HD   PRO  66          1HD       PRO  66  -0.623 -20.448  -6.157
  514    HA   PRO  66           HA       PRO  66   2.092 -18.449  -7.365
  515   1HB   ASN  67          2HB       ASN  67   0.324 -15.103  -9.746
  516   2HB   ASN  67          1HB       ASN  67   0.887 -13.437  -9.830
  517   1HD2  ASN  67          1HD2      ASN  67   1.813 -16.747 -10.637
  518   2HD2  ASN  67          2HD2      ASN  67   2.712 -16.338 -12.055
  519    H    ASN  67           H        ASN  67   2.863 -16.561  -8.064
  520    HA   ASN  67           HA       ASN  67   3.019 -14.370  -8.647
  521   1HB   CYS  68          2HB       CYS  68  -1.075 -14.287  -5.829
  522   2HB   CYS  68          1HB       CYS  68  -1.163 -13.720  -4.165
  523    H    CYS  68           H        CYS  68   1.675 -15.307  -6.048
  524    HA   CYS  68           HA       CYS  68   1.246 -12.697  -4.983
  525   1HA   GLY  69          2HA       GLY  69   2.079 -15.635  -1.746
  526   2HA   GLY  69          1HA       GLY  69   3.119 -14.262  -1.387
  527    H    GLY  69           H        GLY  69   3.078 -13.873  -3.895
  528   1HB   PHE  70          2HB       PHE  70   7.362 -14.483  -1.033
  529   2HB   PHE  70          1HB       PHE  70   8.444 -15.863  -1.180
  530    H    PHE  70           H        PHE  70   5.241 -14.614  -1.312
  531    HA   PHE  70           HA       PHE  70   6.547 -16.518  -3.011
  532    HD1  PHE  70           HD1      PHE  70   6.873 -13.087  -3.033
  533    HD2  PHE  70           HD2      PHE  70   9.868 -16.110  -3.043
  534    HE1  PHE  70           HE1      PHE  70   7.885 -12.072  -5.032
  535    HE2  PHE  70           HE2      PHE  70  10.886 -15.100  -5.042
  536    HZ   PHE  70           HZ       PHE  70   9.894 -13.079  -6.040
  537   1HA   GLY  71          1HA       GLY  71   6.238 -19.352   0.458
  538   2HA   GLY  71          2HA       GLY  71   4.482 -19.312   0.355
  539    H    GLY  71           H        GLY  71   4.696 -16.966  -0.365
  540   1HB   LYS  72          2HB       LYS  72   7.375 -15.500   2.973
  541   2HB   LYS  72          1HB       LYS  72   6.266 -14.466   3.865
  542   1HG   LYS  72          2HG       LYS  72   6.867 -15.898   5.900
  543   2HG   LYS  72          1HG       LYS  72   8.220 -16.474   4.925
  544   1HD   LYS  72          2HD       LYS  72   7.814 -13.545   5.045
  545   2HD   LYS  72          1HD       LYS  72   8.380 -14.330   6.520
  546   1HE   LYS  72          2HE       LYS  72   9.672 -14.592   3.807
  547   2HE   LYS  72          1HE       LYS  72  10.227 -13.525   5.096
  548    H    LYS  72           H        LYS  72   5.910 -16.456   1.549
  549    HA   LYS  72           HA       LYS  72   5.765 -17.301   4.332
  550   1HZ   LYS  72          1HZ       LYS  72   9.985 -16.463   5.406
  551   2HZ   LYS  72          3HZ       LYS  72  11.418 -15.691   4.940
  552   3HZ   LYS  72          2HZ       LYS  72  10.742 -15.377   6.458
  553    H    THR  73           H        THR  73   4.869 -15.316   5.766
  554    HA   THR  73           HA       THR  73   2.325 -14.379   4.665
  555    HB   THR  73           HB       THR  73   1.234 -15.043   6.893
  556    HG1  THR  73           HG1      THR  73   3.548 -15.771   7.578
  557   1HG2  THR  73          1HG2      THR  73   1.552 -16.421   4.443
  558   2HG2  THR  73          3HG2      THR  73   1.621 -17.625   5.730
  559   3HG2  THR  73          2HG2      THR  73   0.227 -16.551   5.600
  560   1HA   GLY  74          2HA       GLY  74   3.732 -11.111   7.245
  561   2HA   GLY  74          1HA       GLY  74   2.002 -10.799   7.186
  562    H    GLY  74           H        GLY  74   2.190 -12.273   5.035
  563   1HG1  ILE  75          1HG1      ILE  75   1.824  -5.437   5.543
  564   2HG1  ILE  75          2HG1      ILE  75   1.695  -6.400   7.010
  565    H    ILE  75           H        ILE  75   3.379  -8.598   7.170
  566    HA   ILE  75           HA       ILE  75   2.785  -7.380   4.693
  567    HB   ILE  75           HB       ILE  75   4.134  -6.480   7.196
  568   1HG2  ILE  75          1HG2      ILE  75   4.267  -5.041   4.557
  569   2HG2  ILE  75          3HG2      ILE  75   4.474  -4.230   6.109
  570   3HG2  ILE  75          2HG2      ILE  75   5.601  -5.494   5.616
  571   1HD1  ILE  75          2HD1      ILE  75   2.829  -4.549   8.231
  572   2HD1  ILE  75          1HD1      ILE  75   2.715  -3.587   6.758
  573   3HD1  ILE  75          3HD1      ILE  75   1.248  -4.137   7.567
  574   1HG1  ILE  76          2HG1      ILE  76   3.910  -9.255   2.220
  575   2HG1  ILE  76          1HG1      ILE  76   3.866  -9.657   0.508
  576    H    ILE  76           H        ILE  76   3.882  -7.526   2.868
  577    HA   ILE  76           HA       ILE  76   6.697  -8.292   2.912
  578    HB   ILE  76           HB       ILE  76   5.207  -7.816   0.374
  579   1HG2  ILE  76          3HG2      ILE  76   7.642  -8.455   0.532
  580   2HG2  ILE  76          2HG2      ILE  76   7.098 -10.030   1.108
  581   3HG2  ILE  76          1HG2      ILE  76   6.635  -9.472  -0.500
  582   1HD1  ILE  76          2HD1      ILE  76   6.089 -10.871   1.957
  583   2HD1  ILE  76          1HD1      ILE  76   4.490 -11.388   2.493
  584   3HD1  ILE  76          3HD1      ILE  76   4.956 -11.572   0.803
  585   1HB   ASP  77          2HB       ASP  77   6.460  -3.082   3.161
  586   2HB   ASP  77          1HB       ASP  77   7.170  -3.976   4.501
  587    H    ASP  77           H        ASP  77   7.600  -6.322   3.641
  588    HA   ASP  77           HA       ASP  77   7.664  -4.231   1.571
  589   1HB   TYR  78          2HB       TYR  78  11.245  -4.506  -0.571
  590   2HB   TYR  78          1HB       TYR  78  12.815  -3.830  -0.150
  591    H    TYR  78           H        TYR  78   9.630  -4.073   0.753
  592    HA   TYR  78           HA       TYR  78  11.921  -5.112   2.177
  593    HD1  TYR  78           HD1      TYR  78  14.383  -5.520   1.195
  594    HD2  TYR  78           HD2      TYR  78  11.189  -6.667  -1.372
  595    HE1  TYR  78           HE1      TYR  78  15.418  -7.731   0.905
  596    HE2  TYR  78           HE2      TYR  78  12.216  -8.882  -1.668
  597    HH   TYR  78           HH       TYR  78  15.100  -9.641  -1.273
  598   1HA   GLY  79          2HA       GLY  79  12.672  -1.059   3.763
  599   2HA   GLY  79          1HA       GLY  79  10.995  -0.529   3.882
  600    H    GLY  79           H        GLY  79  10.377  -2.470   2.795
  601   1HG1  ILE  80          2HG1      ILE  80  11.836   3.264   4.073
  602   2HG1  ILE  80          1HG1      ILE  80  11.980   4.989   3.757
  603    H    ILE  80           H        ILE  80  12.186   1.571   3.431
  604    HA   ILE  80           HA       ILE  80  11.534   2.537   0.932
  605    HB   ILE  80           HB       ILE  80  13.751   3.660   2.634
  606   1HG2  ILE  80          2HG2      ILE  80  13.142   4.506   0.240
  607   2HG2  ILE  80          1HG2      ILE  80  11.786   5.269   1.069
  608   3HG2  ILE  80          3HG2      ILE  80  13.441   5.659   1.539
  609   1HD1  ILE  80          3HD1      ILE  80  10.297   4.037   1.761
  610   2HD1  ILE  80          2HD1      ILE  80   9.791   3.207   3.233
  611   3HD1  ILE  80          1HD1      ILE  80   9.848   4.969   3.190
  612   1HB   ARG  81          2HB       ARG  81  13.390   1.973  -3.570
  613   2HB   ARG  81          1HB       ARG  81  14.614   0.728  -3.365
  614   1HG   ARG  81          2HG       ARG  81  12.470   0.505  -1.420
  615   2HG   ARG  81          1HG       ARG  81  11.895   0.407  -3.086
  616   1HD   ARG  81          2HD       ARG  81  14.276  -1.175  -2.200
  617   2HD   ARG  81          1HD       ARG  81  12.645  -1.757  -1.873
  618   1HH1  ARG  81          2HH1      ARG  81  14.291  -3.344  -2.395
  619   2HH1  ARG  81          1HH1      ARG  81  14.552  -4.546  -3.614
  620   1HH2  ARG  81          2HH2      ARG  81  13.079  -2.680  -6.179
  621   2HH2  ARG  81          1HH2      ARG  81  13.862  -4.169  -5.766
  622    H    ARG  81           H        ARG  81  12.583   2.803  -0.988
  623    HA   ARG  81           HA       ARG  81  15.196   1.465  -1.234
  624    HE   ARG  81           HE       ARG  81  12.740  -1.105  -4.565
  625   1HB   LEU  82          2HB       LEU  82  17.167   4.707  -1.736
  626   2HB   LEU  82          1HB       LEU  82  17.196   5.986  -2.931
  627    H    LEU  82           H        LEU  82  14.191   4.405  -0.771
  628    HA   LEU  82           HA       LEU  82  14.994   6.485  -1.212
  629    HG   LEU  82           HG       LEU  82  18.611   6.574  -1.061
  630   1HD1  LEU  82          3HD1      LEU  82  16.801   8.208  -2.195
  631   2HD1  LEU  82          2HD1      LEU  82  16.333   8.358  -0.502
  632   3HD1  LEU  82          1HD1      LEU  82  17.982   8.738  -0.998
  633   1HD2  LEU  82          2HD2      LEU  82  16.133   6.198   0.613
  634   2HD2  LEU  82          1HD2      LEU  82  17.616   5.248   0.681
  635   3HD2  LEU  82          3HD2      LEU  82  17.629   6.939   1.182
  636   1HB   ASN  83          2HB       ASN  83  14.650   3.756  -5.826
  637   2HB   ASN  83          1HB       ASN  83  13.404   4.211  -6.986
  638   1HD2  ASN  83          1HD2      ASN  83  15.645   6.532  -5.711
  639   2HD2  ASN  83          2HD2      ASN  83  16.558   6.750  -7.160
  640    H    ASN  83           H        ASN  83  13.962   4.384  -3.575
  641    HA   ASN  83           HA       ASN  83  13.817   6.548  -5.566
  642   1HB   ARG  84          2HB       ARG  84   8.334   7.692  -4.130
  643   2HB   ARG  84          1HB       ARG  84   9.641   7.437  -2.982
  644   1HG   ARG  84          2HG       ARG  84  10.605   8.788  -5.331
  645   2HG   ARG  84          1HG       ARG  84   9.240   9.649  -4.624
  646   1HD   ARG  84          2HD       ARG  84  10.843   8.871  -2.466
  647   2HD   ARG  84          1HD       ARG  84  11.958   9.456  -3.701
  648   1HH1  ARG  84          2HH1      ARG  84  12.099  10.848  -5.012
  649   2HH1  ARG  84          1HH1      ARG  84  12.163  12.566  -5.224
  650   1HH2  ARG  84          1HH2      ARG  84  10.100  13.274  -2.493
  651   2HH2  ARG  84          2HH2      ARG  84  11.029  13.943  -3.793
  652    H    ARG  84           H        ARG  84  11.835   7.242  -4.604
  653    HA   ARG  84           HA       ARG  84   9.588   5.511  -4.367
  654    HE   ARG  84           HE       ARG  84  10.020  11.010  -2.221
  655   1HB   SER  85          2HB       SER  85  11.708   6.431  -8.977
  656   2HB   SER  85          1HB       SER  85  10.869   5.699 -10.345
  657    H    SER  85           H        SER  85  10.966   5.658  -7.010
  658    HA   SER  85           HA       SER  85   8.838   6.729  -8.712
  659    HG   SER  85           HG       SER  85   9.968   7.630 -10.841
  660   1HB   GLU  86          2HB       GLU  86   7.756   1.574  -6.495
  661   2HB   GLU  86          1HB       GLU  86   8.829   0.479  -7.357
  662   1HG   GLU  86          2HG       GLU  86   9.915   2.989  -6.166
  663   2HG   GLU  86          1HG       GLU  86   9.602   1.589  -5.143
  664    H    GLU  86           H        GLU  86   9.325   3.963  -7.149
  665    HA   GLU  86           HA       GLU  86   9.163   1.945  -9.096
  666   1HB   ARG  87          2HB       ARG  87   5.608  -0.399 -11.127
  667   2HB   ARG  87          1HB       ARG  87   4.181   0.570 -11.461
  668   1HG   ARG  87          2HG       ARG  87   5.350   1.783 -12.888
  669   2HG   ARG  87          1HG       ARG  87   6.411   2.299 -11.577
  670   1HD   ARG  87          2HD       ARG  87   6.779  -0.307 -13.031
  671   2HD   ARG  87          1HD       ARG  87   7.524   1.198 -13.571
  672   1HH1  ARG  87          2HH1      ARG  87   8.091  -1.513 -13.317
  673   2HH1  ARG  87          1HH1      ARG  87   9.411  -2.404 -12.635
  674   1HH2  ARG  87          2HH2      ARG  87  10.148  -0.005 -10.200
  675   2HH2  ARG  87          1HH2      ARG  87  10.580  -1.546 -10.861
  676    H    ARG  87           H        ARG  87   7.167   0.445  -9.194
  677    HA   ARG  87           HA       ARG  87   4.788   2.118  -9.665
  678    HE   ARG  87           HE       ARG  87   8.408   1.159 -11.106
  679   1HB   TRP  88          2HB       TRP  88   3.805   1.074  -5.269
  680   2HB   TRP  88          1HB       TRP  88   2.784  -0.273  -4.785
  681    H    TRP  88           H        TRP  88   3.717   1.787  -7.760
  682    HA   TRP  88           HA       TRP  88   2.833  -0.975  -7.252
  683    HD1  TRP  88           HD1      TRP  88   6.229   0.588  -4.727
  684    HE1  TRP  88           HE1      TRP  88   7.762  -1.479  -4.741
  685    HE3  TRP  88           HE3      TRP  88   2.843  -2.913  -6.262
  686    HZ2  TRP  88           HZ2      TRP  88   7.554  -4.239  -5.319
  687    HZ3  TRP  88           HZ3      TRP  88   3.587  -5.244  -6.522
  688    HH2  TRP  88           HH2      TRP  88   5.896  -5.891  -6.061
  689   1HB   ASP  89          2HB       ASP  89  -0.833  -0.972  -4.504
  690   2HB   ASP  89          1HB       ASP  89  -2.173   0.158  -4.323
  691    H    ASP  89           H        ASP  89   1.321  -0.001  -4.923
  692    HA   ASP  89           HA       ASP  89  -0.870   1.358  -6.346
  693    H    ALA  90           H        ALA  90  -2.172   1.282  -3.526
  694    HA   ALA  90           HA       ALA  90  -0.598   3.092  -1.969
  695   1HB   ALA  90          2HB       ALA  90  -1.187   4.770  -3.483
  696   2HB   ALA  90          3HB       ALA  90  -2.328   4.963  -2.150
  697   3HB   ALA  90          1HB       ALA  90  -2.840   4.174  -3.641
  698   1HB   TYR  91          2HB       TYR  91  -0.982   1.690   2.104
  699   2HB   TYR  91          1HB       TYR  91  -2.418   1.316   3.049
  700    H    TYR  91           H        TYR  91  -1.071   2.605   0.054
  701    HA   TYR  91           HA       TYR  91  -3.589   1.307   0.687
  702    HD1  TYR  91           HD1      TYR  91  -3.870  -0.611   1.543
  703    HD2  TYR  91           HD2      TYR  91   0.346  -0.186   1.912
  704    HE1  TYR  91           HE1      TYR  91  -3.594  -2.997   1.031
  705    HE2  TYR  91           HE2      TYR  91   0.638  -2.572   1.395
  706    HH   TYR  91           HH       TYR  91  -0.407  -4.420   0.574
  707   1HB   CYS  92          2HB       CYS  92  -6.854   4.182   0.276
  708   2HB   CYS  92          1HB       CYS  92  -7.245   5.600   1.240
  709    H    CYS  92           H        CYS  92  -4.790   3.302   0.189
  710    HA   CYS  92           HA       CYS  92  -4.616   5.698   1.531
  711   1HB   TYR  93          2HB       TYR  93  -4.591   4.767   5.672
  712   2HB   TYR  93          1HB       TYR  93  -4.765   6.472   6.079
  713    H    TYR  93           H        TYR  93  -5.899   6.582   3.271
  714    HA   TYR  93           HA       TYR  93  -7.074   4.747   5.173
  715    HD1  TYR  93           HD1      TYR  93  -7.160   6.669   7.626
  716    HD2  TYR  93           HD2      TYR  93  -4.288   3.528   7.595
  717    HE1  TYR  93           HE1      TYR  93  -7.815   6.057   9.913
  718    HE2  TYR  93           HE2      TYR  93  -4.938   2.906   9.883
  719    HH   TYR  93           HH       TYR  93  -7.730   3.966  11.356
  720   1HB   ASN  94          2HB       ASN  94  -8.988   8.886   4.532
  721   2HB   ASN  94          1HB       ASN  94 -10.340   7.774   4.327
  722   1HD2  ASN  94          1HD2      ASN  94 -11.058   9.973   3.397
  723   2HD2  ASN  94          2HD2      ASN  94 -11.966  10.965   4.482
  724    H    ASN  94           H        ASN  94  -8.816   5.683   5.983
  725    HA   ASN  94           HA       ASN  94  -8.880   8.362   6.910
  726   1HB   PRO  95          2HB       PRO  95 -12.577   8.061  10.894
  727   2HB   PRO  95          1HB       PRO  95 -11.206   6.969  11.118
  728   1HG   PRO  95          2HG       PRO  95 -11.267   9.730   9.978
  729   2HG   PRO  95          1HG       PRO  95 -10.073   8.990  11.058
  730   1HD   PRO  95          2HD       PRO  95  -9.629   9.287   8.417
  731   2HD   PRO  95          1HD       PRO  95  -9.002   7.899   9.328
  732    HA   PRO  95           HA       PRO  95 -11.940   6.008   9.180
  733   1HB   HIS  96          2HB       HIS  96 -14.112  10.794   7.948
  734   2HB   HIS  96          1HB       HIS  96 -13.701  10.851   6.237
  735    H    HIS  96           H        HIS  96 -12.338   8.695   7.174
  736    HA   HIS  96           HA       HIS  96 -15.267   8.580   7.465
  737    HD1  HIS  96           HD1      HIS  96 -15.161  12.985   5.946
  738    HD2  HIS  96           HD2      HIS  96 -17.262   9.616   7.171
  739    HE1  HIS  96           HE1      HIS  96 -17.589  13.552   5.619
  740    HE2  HIS  96           HE2      HIS  96 -18.841  11.485   6.333
  741    H    ALA  97           H        ALA  97 -12.929   7.315   5.674
  742    HA   ALA  97           HA       ALA  97 -13.917   7.877   3.022
  743   1HB   ALA  97          1HB       ALA  97 -11.941   5.775   3.901
  744   2HB   ALA  97          3HB       ALA  97 -12.212   6.350   2.256
  745   3HB   ALA  97          2HB       ALA  97 -11.525   7.432   3.467
  746   1HB   LYS  98          2HB       LYS  98 -16.988   5.477   6.005
  747   2HB   LYS  98          1HB       LYS  98 -18.446   4.775   5.316
  748   1HG   LYS  98          2HG       LYS  98 -17.724   2.877   6.242
  749   2HG   LYS  98          1HG       LYS  98 -16.629   2.803   4.860
  750   1HD   LYS  98          2HD       LYS  98 -15.106   4.298   6.395
  751   2HD   LYS  98          1HD       LYS  98 -16.076   3.581   7.685
  752   1HE   LYS  98          2HE       LYS  98 -15.224   1.497   7.359
  753   2HE   LYS  98          1HE       LYS  98 -14.981   1.748   5.630
  754    H    LYS  98           H        LYS  98 -16.067   7.035   4.356
  755    HA   LYS  98           HA       LYS  98 -16.463   4.269   3.419
  756   1HZ   LYS  98          2HZ       LYS  98 -13.330   3.238   7.553
  757   2HZ   LYS  98          1HZ       LYS  98 -12.953   1.624   7.214
  758   3HZ   LYS  98          3HZ       LYS  98 -12.969   2.770   5.969

  No H/Q in entry =         758
  Start of MODEL    5
    1   1HA   GLY   1          2HA       GLY   1 -10.620   2.518   7.921
    2   2HA   GLY   1          1HA       GLY   1  -9.217   1.948   8.812
    3    H1   GLY   1          2H        GLY   1  -9.216   4.784   8.282
    4    H2   GLY   1          1H        GLY   1 -10.484   4.267   9.276
    5    H3   GLY   1          3H        GLY   1  -8.879   3.948   9.714
    6    H    VAL   2           H        VAL   2  -7.342   1.657   7.753
    7    HA   VAL   2           HA       VAL   2  -6.701   3.059   5.335
    8    HB   VAL   2           HB       VAL   2  -4.811   2.545   6.590
    9   1HG1  VAL   2          2HG1      VAL   2  -6.296   0.137   7.264
   10   2HG1  VAL   2          1HG1      VAL   2  -4.584  -0.171   6.977
   11   3HG1  VAL   2          3HG1      VAL   2  -5.076   1.012   8.190
   12   1HG2  VAL   2          3HG2      VAL   2  -5.003   1.558   4.053
   13   2HG2  VAL   2          2HG2      VAL   2  -3.512   1.672   4.986
   14   3HG2  VAL   2          1HG2      VAL   2  -4.415   0.157   4.947
   15   1HB   TYR   3          2HB       TYR   3  -9.326   0.662   0.937
   16   2HB   TYR   3          1HB       TYR   3  -9.868   0.810   2.603
   17    H    TYR   3           H        TYR   3  -6.988   2.443   3.278
   18    HA   TYR   3           HA       TYR   3  -7.818  -0.324   2.755
   19    HD1  TYR   3           HD1      TYR   3  -8.486   3.128   3.627
   20    HD2  TYR   3           HD2      TYR   3 -10.087   2.473  -0.258
   21    HE1  TYR   3           HE1      TYR   3  -8.746   5.555   3.332
   22    HE2  TYR   3           HE2      TYR   3 -10.348   4.897  -0.566
   23    HH   TYR   3           HH       TYR   3  -9.591   6.953   0.269
   24   1HB   HIS   4          2HB       HIS   4  -4.694  -2.001  -1.189
   25   2HB   HIS   4          1HB       HIS   4  -6.187  -2.456  -0.379
   26    H    HIS   4           H        HIS   4  -7.632  -0.913   0.434
   27    HA   HIS   4           HA       HIS   4  -5.101   0.114  -0.594
   28    HD1  HIS   4           HD1      HIS   4  -8.352  -2.582  -1.944
   29    HD2  HIS   4           HD2      HIS   4  -4.701  -2.322  -3.910
   30    HE1  HIS   4           HE1      HIS   4  -8.814  -3.283  -4.314
   31    HE2  HIS   4           HE2      HIS   4  -6.605  -3.046  -5.503
   32   1HB   ARG   5          2HB       ARG   5  -5.567   3.459  -3.189
   33   2HB   ARG   5          1HB       ARG   5  -6.423   3.659  -4.711
   34   1HG   ARG   5          2HG       ARG   5  -7.599   3.062  -2.009
   35   2HG   ARG   5          1HG       ARG   5  -7.804   4.520  -2.982
   36   1HD   ARG   5          2HD       ARG   5  -8.583   2.002  -4.292
   37   2HD   ARG   5          1HD       ARG   5  -9.573   2.475  -2.912
   38   1HH1  ARG   5          2HH1      ARG   5  -7.960   2.512  -5.907
   39   2HH1  ARG   5          1HH1      ARG   5  -8.313   3.300  -7.408
   40   1HH2  ARG   5          2HH2      ARG   5 -10.760   5.404  -6.064
   41   2HH2  ARG   5          1HH2      ARG   5  -9.904   4.944  -7.498
   42    H    ARG   5           H        ARG   5  -4.826   0.892  -2.671
   43    HA   ARG   5           HA       ARG   5  -7.184   1.212  -4.363
   44    HE   ARG   5           HE       ARG   5 -10.289   4.359  -4.090
   45   1HB   GLU   6          2HB       GLU   6  -6.639   0.411  -8.412
   46   2HB   GLU   6          1HB       GLU   6  -5.470   0.904  -9.629
   47   1HG   GLU   6          2HG       GLU   6  -5.348  -1.420  -9.601
   48   2HG   GLU   6          1HG       GLU   6  -3.951  -0.894  -8.664
   49    H    GLU   6           H        GLU   6  -6.697   1.710  -6.557
   50    HA   GLU   6           HA       GLU   6  -3.975   0.911  -7.311
   51    H    ALA   7           H        ALA   7  -3.752   1.827  -9.828
   52    HA   ALA   7           HA       ALA   7  -3.144   4.586  -9.435
   53   1HB   ALA   7          1HB       ALA   7  -3.138   3.478 -12.177
   54   2HB   ALA   7          2HB       ALA   7  -2.077   2.704 -11.001
   55   3HB   ALA   7          3HB       ALA   7  -1.917   4.429 -11.333
   56   1HB   ARG   8          2HB       ARG   8  -4.125   7.208 -13.298
   57   2HB   ARG   8          1HB       ARG   8  -5.697   7.315 -14.078
   58   1HG   ARG   8          2HG       ARG   8  -6.222   8.871 -12.010
   59   2HG   ARG   8          1HG       ARG   8  -4.469   9.074 -12.032
   60   1HD   ARG   8          2HD       ARG   8  -4.543   9.820 -14.327
   61   2HD   ARG   8          1HD       ARG   8  -6.274   9.501 -14.407
   62   1HH1  ARG   8          1HH1      ARG   8  -3.268  10.716 -13.199
   63   2HH1  ARG   8          2HH1      ARG   8  -2.810  12.263 -12.569
   64   1HH2  ARG   8          1HH2      ARG   8  -6.076  13.502 -12.439
   65   2HH2  ARG   8          2HH2      ARG   8  -4.406  13.847 -12.138
   66    H    ARG   8           H        ARG   8  -3.704   5.852 -11.764
   67    HA   ARG   8           HA       ARG   8  -6.283   6.816 -11.397
   68    HE   ARG   8           HE       ARG   8  -6.670  11.462 -13.267
   69   1HB   SER   9          2HB       SER   9  -7.739   4.857 -15.262
   70   2HB   SER   9          1HB       SER   9  -6.572   3.872 -16.145
   71    H    SER   9           H        SER   9  -5.152   4.089 -13.209
   72    HA   SER   9           HA       SER   9  -7.729   2.994 -13.501
   73    HG   SER   9           HG       SER   9  -8.102   2.506 -16.660
   74   1HA   GLY  10          2HA       GLY  10  -3.809   0.520 -14.283
   75   2HA   GLY  10          1HA       GLY  10  -5.170  -0.470 -13.785
   76    H    GLY  10           H        GLY  10  -5.398   1.990 -12.488
   77   1HB   LYS  11          2HB       LYS  11  -4.042  -3.130 -10.734
   78   2HB   LYS  11          1HB       LYS  11  -2.527  -3.794 -11.331
   79   1HG   LYS  11          2HG       LYS  11  -1.510  -3.475  -9.141
   80   2HG   LYS  11          1HG       LYS  11  -3.018  -2.785  -8.537
   81   1HD   LYS  11          2HD       LYS  11  -3.364  -4.917  -7.852
   82   2HD   LYS  11          1HD       LYS  11  -3.958  -5.097  -9.504
   83   1HE   LYS  11          2HE       LYS  11  -1.427  -5.625 -10.000
   84   2HE   LYS  11          1HE       LYS  11  -1.407  -6.036  -8.286
   85    H    LYS  11           H        LYS  11  -3.293  -1.791 -12.980
   86    HA   LYS  11           HA       LYS  11  -2.716  -1.007 -10.205
   87   1HZ   LYS  11          3HZ       LYS  11  -3.592  -7.326  -9.071
   88   2HZ   LYS  11          2HZ       LYS  11  -2.696  -7.399 -10.503
   89   3HZ   LYS  11          1HZ       LYS  11  -2.052  -8.028  -9.070
   90   1HB   TYR  12          2HB       TYR  12   1.038  -3.475 -11.410
   91   2HB   TYR  12          1HB       TYR  12   2.701  -2.942 -11.179
   92    H    TYR  12           H        TYR  12  -0.640  -1.641  -9.305
   93    HA   TYR  12           HA       TYR  12   1.630  -1.428  -9.309
   94    HD1  TYR  12           HD1      TYR  12   1.143  -2.662  -8.078
   95    HD2  TYR  12           HD2      TYR  12   2.666  -5.592 -10.762
   96    HE1  TYR  12           HE1      TYR  12   1.390  -4.239  -6.206
   97    HE2  TYR  12           HE2      TYR  12   2.914  -7.178  -8.899
   98    HH   TYR  12           HH       TYR  12   2.711  -6.242  -5.650
   99   1HB   LYS  13          2HB       LYS  13   1.307   2.675 -13.618
  100   2HB   LYS  13          1HB       LYS  13   1.529   0.933 -13.716
  101   1HG   LYS  13          2HG       LYS  13  -0.545   0.483 -12.808
  102   2HG   LYS  13          1HG       LYS  13  -0.665   2.066 -12.036
  103   1HD   LYS  13          2HD       LYS  13  -2.138   2.278 -13.805
  104   2HD   LYS  13          1HD       LYS  13  -0.656   2.964 -14.474
  105   1HE   LYS  13          2HE       LYS  13  -0.263   1.139 -15.831
  106   2HE   LYS  13          1HE       LYS  13  -1.218   0.053 -14.821
  107    H    LYS  13           H        LYS  13   1.070   0.853 -10.081
  108    HA   LYS  13           HA       LYS  13   2.981   1.645 -11.996
  109   1HZ   LYS  13          1HZ       LYS  13  -3.115   1.706 -15.609
  110   2HZ   LYS  13          3HZ       LYS  13  -2.082   1.854 -16.940
  111   3HZ   LYS  13          2HZ       LYS  13  -2.680   0.335 -16.500
  112   1HB   LEU  14          2HB       LEU  14   0.592   2.984  -7.595
  113   2HB   LEU  14          1HB       LEU  14   0.817   4.617  -7.002
  114    H    LEU  14           H        LEU  14   1.971   2.228  -9.300
  115    HA   LEU  14           HA       LEU  14   1.243   5.063  -9.607
  116    HG   LEU  14           HG       LEU  14  -1.181   3.753  -9.093
  117   1HD1  LEU  14          3HD1      LEU  14  -1.250   3.789  -6.226
  118   2HD1  LEU  14          2HD1      LEU  14  -2.424   4.933  -6.877
  119   3HD1  LEU  14          1HD1      LEU  14  -2.477   3.240  -7.368
  120   1HD2  LEU  14          1HD2      LEU  14  -0.050   6.170  -9.038
  121   2HD2  LEU  14          3HD2      LEU  14  -1.746   5.918  -9.447
  122   3HD2  LEU  14          2HD2      LEU  14  -1.298   6.419  -7.817
  123    H    THR  15           H        THR  15   2.470   6.640  -8.695
  124    HA   THR  15           HA       THR  15   5.084   5.820  -7.659
  125    HB   THR  15           HB       THR  15   5.863   8.035  -8.142
  126    HG1  THR  15           HG1      THR  15   4.415   9.655  -8.862
  127   1HG2  THR  15          3HG2      THR  15   4.474   6.472 -10.176
  128   2HG2  THR  15          2HG2      THR  15   4.656   8.169 -10.616
  129   3HG2  THR  15          1HG2      THR  15   6.077   7.206 -10.213
  130   1HB   TYR  16          2HB       TYR  16   6.780   8.130  -3.894
  131   2HB   TYR  16          1HB       TYR  16   6.431   9.775  -4.418
  132    H    TYR  16           H        TYR  16   5.680   8.232  -6.290
  133    HA   TYR  16           HA       TYR  16   4.340   7.680  -3.792
  134    HD1  TYR  16           HD1      TYR  16   5.366   7.471  -1.666
  135    HD2  TYR  16           HD2      TYR  16   6.574  11.394  -2.790
  136    HE1  TYR  16           HE1      TYR  16   5.226   8.179   0.682
  137    HE2  TYR  16           HE2      TYR  16   6.435  12.115  -0.443
  138    HH   TYR  16           HH       TYR  16   6.335  10.058   2.110
  139    H    ALA  17           H        ALA  17   4.983  10.725  -5.531
  140    HA   ALA  17           HA       ALA  17   3.092  12.261  -4.170
  141   1HB   ALA  17          1HB       ALA  17   4.937  13.137  -5.593
  142   2HB   ALA  17          3HB       ALA  17   3.999  12.672  -7.014
  143   3HB   ALA  17          2HB       ALA  17   3.373  13.893  -5.904
  144   1HB   GLU  18          2HB       GLU  18   1.817   8.536  -8.275
  145   2HB   GLU  18          1HB       GLU  18   0.155   8.670  -8.834
  146   1HG   GLU  18          2HG       GLU  18   0.654  10.504 -10.215
  147   2HG   GLU  18          1HG       GLU  18   2.216  10.761  -9.440
  148    H    GLU  18           H        GLU  18   2.768  10.102  -6.894
  149    HA   GLU  18           HA       GLU  18   0.169  10.984  -7.684
  150    H    ALA  19           H        ALA  19   1.392   8.276  -5.760
  151    HA   ALA  19           HA       ALA  19  -1.031   7.030  -5.192
  152   1HB   ALA  19          3HB       ALA  19   0.482   5.645  -4.328
  153   2HB   ALA  19          1HB       ALA  19   0.526   6.698  -2.912
  154   3HB   ALA  19          2HB       ALA  19   1.686   6.931  -4.221
  155   1HB   LYS  20          2HB       LYS  20   1.171  10.964  -1.651
  156   2HB   LYS  20          1HB       LYS  20   0.341  12.198  -2.587
  157   1HG   LYS  20          2HG       LYS  20  -1.096  11.936  -0.189
  158   2HG   LYS  20          1HG       LYS  20   0.614  11.951   0.249
  159   1HD   LYS  20          2HD       LYS  20  -0.199  13.943  -1.763
  160   2HD   LYS  20          1HD       LYS  20  -0.870  14.177  -0.147
  161   1HE   LYS  20          2HE       LYS  20   1.083  15.335   0.077
  162   2HE   LYS  20          1HE       LYS  20   1.627  13.735   0.577
  163    H    LYS  20           H        LYS  20   0.613   9.678  -3.529
  164    HA   LYS  20           HA       LYS  20  -1.112   9.875  -1.339
  165   1HZ   LYS  20          1HZ       LYS  20   2.037  13.611  -2.053
  166   2HZ   LYS  20          3HZ       LYS  20   2.301  15.262  -1.793
  167   3HZ   LYS  20          2HZ       LYS  20   3.213  14.116  -0.947
  168    H    ALA  21           H        ALA  21  -1.124  11.551  -4.469
  169    HA   ALA  21           HA       ALA  21  -3.404  13.143  -3.917
  170   1HB   ALA  21          3HB       ALA  21  -3.469  13.445  -6.410
  171   2HB   ALA  21          1HB       ALA  21  -2.113  12.322  -6.512
  172   3HB   ALA  21          2HB       ALA  21  -1.930  13.848  -5.648
  173    H    VAL  22           H        VAL  22  -3.006  10.092  -5.706
  174    HA   VAL  22           HA       VAL  22  -5.608   9.704  -6.543
  175    HB   VAL  22           HB       VAL  22  -3.299   7.954  -5.981
  176   1HG1  VAL  22          1HG1      VAL  22  -6.093   6.840  -6.133
  177   2HG1  VAL  22          3HG1      VAL  22  -4.607   5.893  -6.223
  178   3HG1  VAL  22          2HG1      VAL  22  -5.009   6.767  -4.744
  179   1HG2  VAL  22          1HG2      VAL  22  -3.734   8.893  -8.189
  180   2HG2  VAL  22          3HG2      VAL  22  -3.814   7.132  -8.220
  181   3HG2  VAL  22          2HG2      VAL  22  -5.301   8.083  -8.233
  182   1HB   CYS  23          2HB       CYS  23  -3.771   8.893  -1.306
  183   2HB   CYS  23          1HB       CYS  23  -5.039   8.652  -0.110
  184    H    CYS  23           H        CYS  23  -4.121   9.089  -3.428
  185    HA   CYS  23           HA       CYS  23  -6.350   7.750  -2.262
  186   1HB   GLU  24          2HB       GLU  24  -4.653  12.942  -1.191
  187   2HB   GLU  24          1HB       GLU  24  -5.915  14.080  -1.639
  188   1HG   GLU  24          2HG       GLU  24  -5.876  13.152   1.167
  189   2HG   GLU  24          1HG       GLU  24  -4.576  14.224   0.654
  190    H    GLU  24           H        GLU  24  -4.974  10.964  -1.643
  191    HA   GLU  24           HA       GLU  24  -7.070  11.954  -0.102
  192   1HB   PHE  25          2HB       PHE  25  -7.403  12.233  -5.820
  193   2HB   PHE  25          1HB       PHE  25  -8.050  10.618  -5.556
  194    H    PHE  25           H        PHE  25  -7.103  11.151  -3.354
  195    HA   PHE  25           HA       PHE  25  -8.996  13.158  -4.209
  196    HD1  PHE  25           HD1      PHE  25  -8.836  13.963  -6.904
  197    HD2  PHE  25           HD2      PHE  25  -9.969   9.865  -6.695
  198    HE1  PHE  25           HE1      PHE  25 -10.473  14.328  -8.705
  199    HE2  PHE  25           HE2      PHE  25 -11.606  10.223  -8.497
  200    HZ   PHE  25           HZ       PHE  25 -11.860  12.456  -9.504
  201   1HB   GLU  26          2HB       GLU  26  -9.700   7.794  -2.587
  202   2HB   GLU  26          1HB       GLU  26 -11.369   7.370  -2.242
  203   1HG   GLU  26          2HG       GLU  26 -11.195   8.196  -4.956
  204   2HG   GLU  26          1HG       GLU  26  -9.926   7.013  -4.642
  205    H    GLU  26           H        GLU  26  -9.033   9.939  -2.910
  206    HA   GLU  26           HA       GLU  26 -11.893   9.645  -3.433
  207   1HA   GLY  27          1HA       GLY  27 -12.054  10.697   0.908
  208   2HA   GLY  27          2HA       GLY  27 -10.870  11.995   0.831
  209    H    GLY  27           H        GLY  27  -9.944  10.970  -1.119
  210   1HA   GLY  28          2HA       GLY  28  -7.991   8.757   2.391
  211   2HA   GLY  28          1HA       GLY  28  -8.125  10.088   3.533
  212    H    GLY  28           H        GLY  28  -8.537  11.152   0.993
  213   1HB   HIS  29          2HB       HIS  29  -2.536  10.852   3.489
  214   2HB   HIS  29          1HB       HIS  29  -4.021  11.775   3.273
  215    H    HIS  29           H        HIS  29  -5.768   8.721   3.289
  216    HA   HIS  29           HA       HIS  29  -4.010  10.190   1.517
  217    HD1  HIS  29           HD1      HIS  29  -5.504  11.950   5.257
  218    HD2  HIS  29           HD2      HIS  29  -2.799   8.815   5.597
  219    HE1  HIS  29           HE1      HIS  29  -5.812  11.047   7.583
  220    HE2  HIS  29           HE2      HIS  29  -4.229   9.093   7.734
  221   1HB   LEU  30          2HB       LEU  30   0.569   8.854   2.223
  222   2HB   LEU  30          1HB       LEU  30   1.022   7.165   2.151
  223    H    LEU  30           H        LEU  30  -1.627   9.515   2.077
  224    HA   LEU  30           HA       LEU  30  -1.487   6.707   1.784
  225    HG   LEU  30           HG       LEU  30  -0.326   8.725  -0.056
  226   1HD1  LEU  30          3HD1      LEU  30   2.203   9.044   0.585
  227   2HD1  LEU  30          2HD1      LEU  30   2.386   7.514  -0.272
  228   3HD1  LEU  30          1HD1      LEU  30   1.702   8.914  -1.101
  229   1HD2  LEU  30          2HD2      LEU  30  -0.980   6.338   0.040
  230   2HD2  LEU  30          1HD2      LEU  30  -0.071   6.759  -1.412
  231   3HD2  LEU  30          3HD2      LEU  30   0.724   5.902  -0.090
  232    H    ALA  31           H        ALA  31  -1.938   5.340   3.387
  233    HA   ALA  31           HA       ALA  31  -1.893   5.924   6.117
  234   1HB   ALA  31          1HB       ALA  31  -2.089   3.446   4.508
  235   2HB   ALA  31          3HB       ALA  31  -1.683   3.279   6.217
  236   3HB   ALA  31          2HB       ALA  31  -3.176   4.091   5.739
  237    H    THR  32           H        THR  32  -0.582   3.885   7.381
  238    HA   THR  32           HA       THR  32   2.260   4.317   6.766
  239    HB   THR  32           HB       THR  32   2.763   5.199   8.767
  240    HG1  THR  32           HG1      THR  32   2.524   3.722  10.270
  241   1HG2  THR  32          3HG2      THR  32   0.375   6.182   7.955
  242   2HG2  THR  32          2HG2      THR  32  -0.033   5.637   9.582
  243   3HG2  THR  32          1HG2      THR  32   1.274   6.798   9.343
  244   1HB   TYR  33          2HB       TYR  33   5.315   1.168   7.872
  245   2HB   TYR  33          1HB       TYR  33   4.957   0.865   9.566
  246    H    TYR  33           H        TYR  33   3.685   2.761   7.953
  247    HA   TYR  33           HA       TYR  33   3.004   0.126   7.399
  248    HD1  TYR  33           HD1      TYR  33   5.470  -0.772   6.288
  249    HD2  TYR  33           HD2      TYR  33   5.173  -1.300  10.500
  250    HE1  TYR  33           HE1      TYR  33   6.293  -3.076   6.051
  251    HE2  TYR  33           HE2      TYR  33   5.995  -3.606  10.274
  252    HH   TYR  33           HH       TYR  33   6.788  -4.973   7.091
  253   1HB   LYS  34          2HB       LYS  34   2.566   2.484  12.424
  254   2HB   LYS  34          1HB       LYS  34   1.023   2.042  13.137
  255   1HG   LYS  34          2HG       LYS  34   2.697   0.105  14.109
  256   2HG   LYS  34          1HG       LYS  34   3.733   1.532  14.070
  257   1HD   LYS  34          2HD       LYS  34   2.363   2.720  15.532
  258   2HD   LYS  34          1HD       LYS  34   0.973   1.678  15.225
  259   1HE   LYS  34          2HE       LYS  34   3.454   0.590  16.502
  260   2HE   LYS  34          1HE       LYS  34   2.244   1.442  17.462
  261    H    LYS  34           H        LYS  34   3.085   1.760  10.554
  262    HA   LYS  34           HA       LYS  34   2.210  -0.340  12.137
  263   1HZ   LYS  34          2HZ       LYS  34   0.993  -0.470  15.801
  264   2HZ   LYS  34          1HZ       LYS  34   2.217  -1.218  16.697
  265   3HZ   LYS  34          3HZ       LYS  34   0.988  -0.365  17.488
  266   1HB   GLN  35          2HB       GLN  35  -1.453   2.623   8.727
  267   2HB   GLN  35          1HB       GLN  35  -3.091   2.481   9.339
  268   1HG   GLN  35          2HG       GLN  35  -2.458   3.786  11.315
  269   2HG   GLN  35          1HG       GLN  35  -0.828   3.953  10.664
  270   1HE2  GLN  35          1HE2      GLN  35  -2.778   6.003  11.330
  271   2HE2  GLN  35          2HE2      GLN  35  -3.044   6.907   9.882
  272    H    GLN  35           H        GLN  35   0.281   2.136  10.464
  273    HA   GLN  35           HA       GLN  35  -2.235   1.258  11.310
  274   1HB   LEU  36          2HB       LEU  36   0.683  -0.734   7.041
  275   2HB   LEU  36          1HB       LEU  36   0.637  -2.479   7.185
  276    H    LEU  36           H        LEU  36  -0.150   0.216   8.682
  277    HA   LEU  36           HA       LEU  36  -2.034  -1.401   7.332
  278    HG   LEU  36           HG       LEU  36   0.513  -1.403   4.833
  279   1HD1  LEU  36          2HD1      LEU  36  -1.080  -3.657   5.935
  280   2HD1  LEU  36          1HD1      LEU  36  -1.348  -3.178   4.259
  281   3HD1  LEU  36          3HD1      LEU  36   0.261  -3.671   4.788
  282   1HD2  LEU  36          2HD2      LEU  36  -1.569  -0.032   5.865
  283   2HD2  LEU  36          1HD2      LEU  36  -1.363  -0.368   4.147
  284   3HD2  LEU  36          3HD2      LEU  36  -2.415  -1.392   5.125
  285   1HB   GLU  37          2HB       GLU  37   1.425  -3.315  11.599
  286   2HB   GLU  37          1HB       GLU  37   0.088  -2.662  12.530
  287   1HG   GLU  37          2HG       GLU  37   0.868  -4.290  13.935
  288   2HG   GLU  37          1HG       GLU  37  -0.405  -5.151  13.069
  289    H    GLU  37           H        GLU  37   0.012  -1.896  10.111
  290    HA   GLU  37           HA       GLU  37  -0.171  -4.699  10.311
  291    H    ALA  38           H        ALA  38  -1.951  -2.173  12.049
  292    HA   ALA  38           HA       ALA  38  -3.783  -3.762  13.380
  293   1HB   ALA  38          1HB       ALA  38  -3.480  -1.318  13.716
  294   2HB   ALA  38          2HB       ALA  38  -5.170  -1.802  13.578
  295   3HB   ALA  38          3HB       ALA  38  -4.356  -1.040  12.212
  296    H    ALA  39           H        ALA  39  -3.677  -2.754  10.058
  297    HA   ALA  39           HA       ALA  39  -6.347  -3.493   9.372
  298   1HB   ALA  39          2HB       ALA  39  -3.949  -3.241   7.559
  299   2HB   ALA  39          3HB       ALA  39  -4.977  -1.897   8.058
  300   3HB   ALA  39          1HB       ALA  39  -5.646  -3.204   7.081
  301   1HB   ARG  40          2HB       ARG  40  -1.668  -6.739   8.563
  302   2HB   ARG  40          1HB       ARG  40  -1.896  -7.175  10.252
  303   1HG   ARG  40          2HG       ARG  40  -2.401  -9.502   9.502
  304   2HG   ARG  40          1HG       ARG  40  -1.942  -9.013   7.870
  305   1HD   ARG  40          2HD       ARG  40   0.287  -8.456   8.627
  306   2HD   ARG  40          1HD       ARG  40  -0.158  -8.823  10.292
  307   1HH1  ARG  40          2HH1      ARG  40   1.575  -9.428  10.748
  308   2HH1  ARG  40          1HH1      ARG  40   2.546 -10.833  11.035
  309   1HH2  ARG  40          2HH2      ARG  40   0.805 -12.856   8.778
  310   2HH2  ARG  40          1HH2      ARG  40   2.109 -12.781   9.917
  311    H    ARG  40           H        ARG  40  -3.288  -5.123   9.594
  312    HA   ARG  40           HA       ARG  40  -4.023  -7.456   8.121
  313    HE   ARG  40           HE       ARG  40  -0.470 -11.000   8.407
  314   1HB   LYS  41          2HB       LYS  41  -6.086  -6.234  13.342
  315   2HB   LYS  41          1HB       LYS  41  -5.865  -7.575  14.457
  316   1HG   LYS  41          2HG       LYS  41  -3.353  -7.225  14.065
  317   2HG   LYS  41          1HG       LYS  41  -3.824  -5.663  13.390
  318   1HD   LYS  41          2HD       LYS  41  -4.116  -4.798  15.420
  319   2HD   LYS  41          1HD       LYS  41  -5.158  -6.139  15.901
  320   1HE   LYS  41          2HE       LYS  41  -2.145  -6.070  15.994
  321   2HE   LYS  41          1HE       LYS  41  -3.243  -6.019  17.373
  322    H    LYS  41           H        LYS  41  -4.219  -6.465  11.476
  323    HA   LYS  41           HA       LYS  41  -4.709  -8.856  12.746
  324   1HZ   LYS  41          2HZ       LYS  41  -4.057  -8.246  16.622
  325   2HZ   LYS  41          1HZ       LYS  41  -2.772  -8.287  15.525
  326   3HZ   LYS  41          3HZ       LYS  41  -2.463  -8.225  17.187
  327   1HG1  ILE  42          2HG1      ILE  42  -8.805  -5.283   8.886
  328   2HG1  ILE  42          1HG1      ILE  42  -8.075  -6.853   8.565
  329    H    ILE  42           H        ILE  42  -6.891  -6.911  10.797
  330    HA   ILE  42           HA       ILE  42  -9.176  -8.576  11.436
  331    HB   ILE  42           HB       ILE  42 -10.491  -7.115  10.156
  332   1HG2  ILE  42          1HG2      ILE  42  -9.601  -6.115  12.216
  333   2HG2  ILE  42          3HG2      ILE  42  -8.275  -5.415  11.291
  334   3HG2  ILE  42          2HG2      ILE  42  -9.933  -4.904  10.979
  335   1HD1  ILE  42          3HD1      ILE  42 -10.954  -6.845   8.175
  336   2HD1  ILE  42          2HD1      ILE  42 -10.105  -5.699   7.138
  337   3HD1  ILE  42          1HD1      ILE  42  -9.662  -7.406   7.113
  338   1HA   GLY  43          1HA       GLY  43  -8.096 -10.469   7.471
  339   2HA   GLY  43          2HA       GLY  43  -6.359 -10.413   7.737
  340    H    GLY  43           H        GLY  43  -6.760  -8.286   8.950
  341   1HB   PHE  44          2HB       PHE  44  -6.161  -5.479   6.417
  342   2HB   PHE  44          1HB       PHE  44  -4.525  -5.768   5.837
  343    H    PHE  44           H        PHE  44  -5.768  -7.799   7.164
  344    HA   PHE  44           HA       PHE  44  -6.874  -7.146   4.563
  345    HD1  PHE  44           HD1      PHE  44  -7.275  -5.863   3.467
  346    HD2  PHE  44           HD2      PHE  44  -4.317  -3.399   5.276
  347    HE1  PHE  44           HE1      PHE  44  -7.612  -4.175   1.708
  348    HE2  PHE  44           HE2      PHE  44  -4.648  -1.705   3.523
  349    HZ   PHE  44           HZ       PHE  44  -6.298  -2.093   1.735
  350   1HB   HIS  45          2HB       HIS  45  -4.096 -11.354   3.390
  351   2HB   HIS  45          1HB       HIS  45  -5.636 -11.069   2.589
  352    H    HIS  45           H        HIS  45  -6.202  -8.947   3.336
  353    HA   HIS  45           HA       HIS  45  -3.307  -9.228   2.934
  354    HD1  HIS  45           HD1      HIS  45  -5.835 -12.546   0.636
  355    HD2  HIS  45           HD2      HIS  45  -1.939 -11.196   1.135
  356    HE1  HIS  45           HE1      HIS  45  -4.525 -13.546  -1.261
  357    HE2  HIS  45           HE2      HIS  45  -2.157 -12.776  -0.895
  358    H    VAL  46           H        VAL  46  -2.531  -8.053   1.325
  359    HA   VAL  46           HA       VAL  46  -3.860  -8.148  -1.277
  360    HB   VAL  46           HB       VAL  46  -2.830  -5.512  -0.255
  361   1HG1  VAL  46          1HG1      VAL  46  -3.072  -5.805  -2.678
  362   2HG1  VAL  46          3HG1      VAL  46  -4.770  -6.226  -2.452
  363   3HG1  VAL  46          2HG1      VAL  46  -4.201  -4.606  -2.050
  364   1HG2  VAL  46          1HG2      VAL  46  -4.724  -6.473   1.170
  365   2HG2  VAL  46          3HG2      VAL  46  -4.949  -4.857   0.498
  366   3HG2  VAL  46          2HG2      VAL  46  -5.741  -6.243  -0.252
  367   1HB   CYS  47          2HB       CYS  47  -0.269  -9.304  -4.911
  368   2HB   CYS  47          1HB       CYS  47   0.543 -10.313  -3.718
  369    H    CYS  47           H        CYS  47  -2.406  -8.743  -2.745
  370    HA   CYS  47           HA       CYS  47   0.399  -8.732  -2.133
  371    H    ALA  48           H        ALA  48  -1.559  -6.319  -3.114
  372    HA   ALA  48           HA       ALA  48   0.321  -5.144  -5.019
  373   1HB   ALA  48          3HB       ALA  48  -2.358  -5.143  -5.069
  374   2HB   ALA  48          1HB       ALA  48  -1.378  -3.870  -5.798
  375   3HB   ALA  48          2HB       ALA  48  -2.083  -3.635  -4.198
  376    H    ALA  49           H        ALA  49   2.052  -4.512  -3.801
  377    HA   ALA  49           HA       ALA  49   2.125  -3.430  -1.290
  378   1HB   ALA  49          2HB       ALA  49   4.277  -3.528  -1.812
  379   2HB   ALA  49          1HB       ALA  49   3.903  -3.581  -3.535
  380   3HB   ALA  49          3HB       ALA  49   4.082  -2.028  -2.719
  381   1HA   GLY  50          2HA       GLY  50  -0.252   0.180  -0.553
  382   2HA   GLY  50          1HA       GLY  50   0.364   0.501  -2.167
  383    H    GLY  50           H        GLY  50   1.190  -1.705  -0.416
  384   1HB   TRP  51          2HB       TRP  51   1.844   4.731  -2.253
  385   2HB   TRP  51          1HB       TRP  51   3.324   5.313  -1.495
  386    H    TRP  51           H        TRP  51   1.335   2.419  -2.163
  387    HA   TRP  51           HA       TRP  51   3.696   2.906  -0.724
  388    HD1  TRP  51           HD1      TRP  51   2.062   3.405  -4.504
  389    HE1  TRP  51           HE1      TRP  51   4.038   2.894  -6.077
  390    HE3  TRP  51           HE3      TRP  51   5.923   4.830  -1.461
  391    HZ2  TRP  51           HZ2      TRP  51   6.851   3.077  -6.037
  392    HZ3  TRP  51           HZ3      TRP  51   8.227   4.627  -2.309
  393    HH2  TRP  51           HH2      TRP  51   8.677   3.771  -4.550
  394   1HB   MET  52          2HB       MET  52   3.056   4.414   4.623
  395   2HB   MET  52          1HB       MET  52   2.080   3.334   3.638
  396   1HG   MET  52          2HG       MET  52   4.074   2.431   2.602
  397   2HG   MET  52          1HG       MET  52   5.078   3.553   3.517
  398    H    MET  52           H        MET  52   4.159   4.305   0.988
  399    HA   MET  52           HA       MET  52   1.918   5.379   2.523
  400   1HE   MET  52          3HE       MET  52   3.474   0.160   3.330
  401   2HE   MET  52          2HE       MET  52   5.236   0.220   3.372
  402   3HE   MET  52          1HE       MET  52   4.350  -0.587   4.666
  403    H    ALA  53           H        ALA  53   3.231   6.184   4.767
  404    HA   ALA  53           HA       ALA  53   4.437   8.561   4.023
  405   1HB   ALA  53          2HB       ALA  53   5.326   8.580   6.400
  406   2HB   ALA  53          3HB       ALA  53   4.573   6.996   6.585
  407   3HB   ALA  53          1HB       ALA  53   3.581   8.406   6.210
  408   1HB   LYS  54          2HB       LYS  54   8.323   6.988   5.409
  409   2HB   LYS  54          1HB       LYS  54   9.589   6.587   4.260
  410   1HG   LYS  54          2HG       LYS  54  10.868   7.480   5.899
  411   2HG   LYS  54          1HG       LYS  54  10.504   8.958   5.009
  412   1HD   LYS  54          2HD       LYS  54   8.369   8.672   6.757
  413   2HD   LYS  54          1HD       LYS  54   9.777   8.195   7.709
  414   1HE   LYS  54          2HE       LYS  54  10.853  10.269   7.329
  415   2HE   LYS  54          1HE       LYS  54   9.696  10.719   6.075
  416    H    LYS  54           H        LYS  54   6.575   9.307   4.014
  417    HA   LYS  54           HA       LYS  54   8.828   9.246   3.701
  418   1HZ   LYS  54          2HZ       LYS  54   8.772  10.237   8.829
  419   2HZ   LYS  54          1HZ       LYS  54   9.466  11.724   8.420
  420   3HZ   LYS  54          3HZ       LYS  54   8.073  11.190   7.621
  421   1HA   GLY  55          1HA       GLY  55   8.429   6.850  -0.072
  422   2HA   GLY  55          2HA       GLY  55   6.698   6.539  -0.037
  423    H    GLY  55           H        GLY  55   6.712   6.946   2.307
  424   1HB   ARG  56          2HB       ARG  56   8.043   3.333   3.933
  425   2HB   ARG  56          1HB       ARG  56   6.529   2.480   3.676
  426   1HG   ARG  56          2HG       ARG  56   7.711   0.412   3.287
  427   2HG   ARG  56          1HG       ARG  56   9.261   1.246   3.403
  428   1HD   ARG  56          2HD       ARG  56   7.729   1.844   5.728
  429   2HD   ARG  56          1HD       ARG  56   7.723   0.098   5.484
  430   1HH1  ARG  56          1HH1      ARG  56   8.046  -0.462   7.193
  431   2HH1  ARG  56          2HH1      ARG  56   9.239  -1.017   8.319
  432   1HH2  ARG  56          1HH2      ARG  56  11.880   0.718   6.818
  433   2HH2  ARG  56          2HH2      ARG  56  11.420  -0.346   8.105
  434    H    ARG  56           H        ARG  56   6.973   4.814   2.354
  435    HA   ARG  56           HA       ARG  56   8.616   2.596   1.517
  436    HE   ARG  56           HE       ARG  56  10.300   1.442   5.343
  437    H    VAL  57           H        VAL  57   7.873   0.552   0.862
  438    HA   VAL  57           HA       VAL  57   5.047   0.399   0.071
  439    HB   VAL  57           HB       VAL  57   5.446   0.139  -2.115
  440   1HG1  VAL  57          3HG1      VAL  57   7.986   1.340  -1.112
  441   2HG1  VAL  57          2HG1      VAL  57   7.814   0.969  -2.827
  442   3HG1  VAL  57          1HG1      VAL  57   6.685   2.077  -2.047
  443   1HG2  VAL  57          1HG2      VAL  57   7.654  -1.656  -1.209
  444   2HG2  VAL  57          3HG2      VAL  57   6.227  -2.030  -2.175
  445   3HG2  VAL  57          2HG2      VAL  57   7.575  -1.152  -2.896
  446   1HA   GLY  58          2HA       GLY  58   4.995  -3.434   2.085
  447   2HA   GLY  58          1HA       GLY  58   5.594  -3.997   0.534
  448    H    GLY  58           H        GLY  58   4.097  -1.565   0.294
  449   1HB   TYR  59          2HB       TYR  59   1.447  -7.366  -1.050
  450   2HB   TYR  59          1HB       TYR  59   1.801  -5.726  -1.587
  451    H    TYR  59           H        TYR  59   4.238  -5.863   0.972
  452    HA   TYR  59           HA       TYR  59   1.369  -5.391   0.665
  453    HD1  TYR  59           HD1      TYR  59   4.303  -5.038  -1.659
  454    HD2  TYR  59           HD2      TYR  59   2.973  -9.082  -1.468
  455    HE1  TYR  59           HE1      TYR  59   6.474  -5.790  -2.530
  456    HE2  TYR  59           HE2      TYR  59   5.141  -9.837  -2.344
  457    HH   TYR  59           HH       TYR  59   7.073  -8.458  -3.919
  458   1HB   PRO  60          2HB       PRO  60  -0.757  -8.284   4.785
  459   2HB   PRO  60          1HB       PRO  60   0.572  -7.224   5.257
  460   1HG   PRO  60          2HG       PRO  60  -1.602  -6.768   3.263
  461   2HG   PRO  60          1HG       PRO  60  -0.888  -5.636   4.423
  462   1HD   PRO  60          1HD       PRO  60  -0.243  -5.674   1.777
  463   2HD   PRO  60          2HD       PRO  60   0.879  -5.147   3.045
  464    HA   PRO  60           HA       PRO  60   1.781  -8.572   3.850
  465   1HG1  ILE  61          2HG1      ILE  61   2.780 -10.700   0.823
  466   2HG1  ILE  61          1HG1      ILE  61   2.738 -11.651  -0.658
  467    H    ILE  61           H        ILE  61   1.868 -10.444   2.666
  468    HA   ILE  61           HA       ILE  61  -0.530 -11.360   1.279
  469    HB   ILE  61           HB       ILE  61   2.026 -12.916   1.385
  470   1HG2  ILE  61          2HG2      ILE  61  -0.440 -13.204   0.089
  471   2HG2  ILE  61          1HG2      ILE  61   0.712 -12.730  -1.161
  472   3HG2  ILE  61          3HG2      ILE  61   1.025 -14.153  -0.165
  473   1HD1  ILE  61          2HD1      ILE  61   0.314 -10.097  -0.021
  474   2HD1  ILE  61          1HD1      ILE  61   1.753  -9.188  -0.485
  475   3HD1  ILE  61          3HD1      ILE  61   1.094 -10.411  -1.571
  476    H    VAL  62           H        VAL  62  -1.956 -12.126   2.742
  477    HA   VAL  62           HA       VAL  62  -1.050 -13.982   4.807
  478    HB   VAL  62           HB       VAL  62  -3.824 -12.878   4.349
  479   1HG1  VAL  62          1HG1      VAL  62  -3.170 -15.052   5.794
  480   2HG1  VAL  62          3HG1      VAL  62  -2.952 -13.794   7.011
  481   3HG1  VAL  62          2HG1      VAL  62  -4.506 -13.975   6.198
  482   1HG2  VAL  62          1HG2      VAL  62  -1.623 -11.916   6.171
  483   2HG2  VAL  62          3HG2      VAL  62  -2.338 -11.045   4.815
  484   3HG2  VAL  62          2HG2      VAL  62  -3.300 -11.377   6.255
  485   1HB   LYS  63          2HB       LYS  63  -5.215 -14.939   1.766
  486   2HB   LYS  63          1HB       LYS  63  -4.825 -15.169   0.068
  487   1HG   LYS  63          2HG       LYS  63  -5.135 -17.679   1.511
  488   2HG   LYS  63          1HG       LYS  63  -6.586 -16.673   1.537
  489   1HD   LYS  63          2HD       LYS  63  -5.556 -16.572  -1.089
  490   2HD   LYS  63          1HD       LYS  63  -5.535 -18.265  -0.593
  491   1HE   LYS  63          2HE       LYS  63  -7.980 -16.733   0.045
  492   2HE   LYS  63          1HE       LYS  63  -7.682 -17.062  -1.661
  493    H    LYS  63           H        LYS  63  -2.754 -13.895   1.787
  494    HA   LYS  63           HA       LYS  63  -3.286 -16.784   2.028
  495   1HZ   LYS  63          3HZ       LYS  63  -7.406 -19.443  -1.011
  496   2HZ   LYS  63          2HZ       LYS  63  -7.969 -19.037   0.531
  497   3HZ   LYS  63          1HZ       LYS  63  -8.973 -18.834  -0.815
  498   1HB   PRO  64          2HB       PRO  64   0.365 -19.213  -1.173
  499   2HB   PRO  64          1HB       PRO  64   1.221 -18.029  -0.183
  500   1HG   PRO  64          2HG       PRO  64  -1.066 -19.805   0.534
  501   2HG   PRO  64          1HG       PRO  64   0.334 -19.324   1.508
  502   1HD   PRO  64          1HD       PRO  64  -2.103 -18.228   1.861
  503   2HD   PRO  64          2HD       PRO  64  -0.609 -17.296   2.090
  504    HA   PRO  64           HA       PRO  64  -0.084 -16.485  -1.227
  505   1HA   GLY  65          2HA       GLY  65  -2.261 -17.484  -4.804
  506   2HA   GLY  65          1HA       GLY  65  -2.005 -19.157  -4.335
  507    H    GLY  65           H        GLY  65   0.065 -17.425  -3.365
  508   1HB   PRO  66          2HB       PRO  66  -1.430 -19.042  -9.792
  509   2HB   PRO  66          1HB       PRO  66  -0.647 -20.594  -9.484
  510   1HG   PRO  66          2HG       PRO  66  -3.222 -20.148  -8.840
  511   2HG   PRO  66          1HG       PRO  66  -2.175 -21.193  -7.862
  512   1HD   PRO  66          1HD       PRO  66  -3.020 -18.364  -7.368
  513   2HD   PRO  66          2HD       PRO  66  -2.868 -19.712  -6.221
  514    HA   PRO  66           HA       PRO  66   0.624 -19.736  -7.803
  515   1HB   ASN  67          2HB       ASN  67   0.137 -13.939  -9.770
  516   2HB   ASN  67          1HB       ASN  67   0.558 -15.522 -10.416
  517   1HD2  ASN  67          1HD2      ASN  67  -1.174 -16.171 -11.488
  518   2HD2  ASN  67          2HD2      ASN  67  -2.782 -16.232 -10.861
  519    H    ASN  67           H        ASN  67  -0.225 -16.766  -6.968
  520    HA   ASN  67           HA       ASN  67   1.745 -15.451  -8.407
  521   1HB   CYS  68          2HB       CYS  68  -1.323 -13.060  -5.370
  522   2HB   CYS  68          1HB       CYS  68  -1.086 -14.492  -4.374
  523    H    CYS  68           H        CYS  68   1.507 -15.257  -5.891
  524    HA   CYS  68           HA       CYS  68   1.019 -12.543  -5.319
  525   1HA   GLY  69          2HA       GLY  69   1.686 -16.428  -1.680
  526   2HA   GLY  69          1HA       GLY  69   2.073 -14.757  -1.294
  527    H    GLY  69           H        GLY  69   0.686 -15.660  -3.605
  528   1HB   PHE  70          2HB       PHE  70   5.972 -13.223  -1.122
  529   2HB   PHE  70          1HB       PHE  70   7.492 -14.108  -1.041
  530    H    PHE  70           H        PHE  70   4.164 -14.343  -1.132
  531    HA   PHE  70           HA       PHE  70   6.045 -15.388  -3.056
  532    HD1  PHE  70           HD1      PHE  70   8.742 -14.481  -3.255
  533    HD2  PHE  70           HD2      PHE  70   5.653 -11.600  -2.741
  534    HE1  PHE  70           HE1      PHE  70   9.567 -13.252  -5.220
  535    HE2  PHE  70           HE2      PHE  70   6.470 -10.366  -4.706
  536    HZ   PHE  70           HZ       PHE  70   8.430 -11.192  -5.949
  537   1HA   GLY  71          1HA       GLY  71   7.113 -18.127   0.412
  538   2HA   GLY  71          2HA       GLY  71   5.682 -19.035  -0.066
  539    H    GLY  71           H        GLY  71   4.655 -16.737  -0.452
  540   1HB   LYS  72          2HB       LYS  72   7.193 -15.476   4.222
  541   2HB   LYS  72          1HB       LYS  72   6.327 -15.896   5.694
  542   1HG   LYS  72          2HG       LYS  72   8.043 -17.872   4.224
  543   2HG   LYS  72          1HG       LYS  72   8.687 -16.784   5.456
  544   1HD   LYS  72          2HD       LYS  72   6.509 -17.812   6.725
  545   2HD   LYS  72          1HD       LYS  72   7.020 -19.183   5.739
  546   1HE   LYS  72          2HE       LYS  72   9.361 -18.758   6.647
  547   2HE   LYS  72          1HE       LYS  72   8.591 -17.698   7.827
  548    H    LYS  72           H        LYS  72   6.714 -16.476   2.183
  549    HA   LYS  72           HA       LYS  72   5.309 -17.821   4.335
  550   1HZ   LYS  72          2HZ       LYS  72   7.478 -20.377   7.538
  551   2HZ   LYS  72          1HZ       LYS  72   8.997 -20.262   8.273
  552   3HZ   LYS  72          3HZ       LYS  72   7.676 -19.430   8.926
  553    H    THR  73           H        THR  73   4.260 -16.173   5.978
  554    HA   THR  73           HA       THR  73   2.367 -14.527   4.431
  555    HB   THR  73           HB       THR  73   0.909 -14.908   6.581
  556    HG1  THR  73           HG1      THR  73   1.353 -17.149   7.309
  557   1HG2  THR  73          3HG2      THR  73   1.349 -16.968   4.420
  558   2HG2  THR  73          2HG2      THR  73  -0.014 -16.992   5.539
  559   3HG2  THR  73          1HG2      THR  73   0.184 -15.645   4.420
  560   1HA   GLY  74          2HA       GLY  74   3.952 -11.406   7.068
  561   2HA   GLY  74          1HA       GLY  74   2.241 -10.993   7.082
  562    H    GLY  74           H        GLY  74   2.368 -12.415   4.838
  563   1HG1  ILE  75          1HG1      ILE  75   1.864  -5.672   5.381
  564   2HG1  ILE  75          2HG1      ILE  75   1.709  -6.584   6.880
  565    H    ILE  75           H        ILE  75   3.288  -8.786   7.039
  566    HA   ILE  75           HA       ILE  75   2.863  -7.573   4.568
  567    HB   ILE  75           HB       ILE  75   4.127  -6.684   7.116
  568   1HG2  ILE  75          3HG2      ILE  75   4.473  -5.341   4.462
  569   2HG2  ILE  75          2HG2      ILE  75   4.393  -4.392   5.947
  570   3HG2  ILE  75          1HG2      ILE  75   5.656  -5.606   5.743
  571   1HD1  ILE  75          2HD1      ILE  75   2.938  -4.627   7.972
  572   2HD1  ILE  75          1HD1      ILE  75   2.559  -3.745   6.493
  573   3HD1  ILE  75          3HD1      ILE  75   1.257  -4.392   7.491
  574   1HG1  ILE  76          1HG1      ILE  76   5.043 -10.153   2.540
  575   2HG1  ILE  76          2HG1      ILE  76   4.057 -10.061   1.083
  576    H    ILE  76           H        ILE  76   4.000  -7.747   2.769
  577    HA   ILE  76           HA       ILE  76   6.838  -8.423   2.894
  578    HB   ILE  76           HB       ILE  76   5.111  -8.197   0.433
  579   1HG2  ILE  76          2HG2      ILE  76   7.628  -8.134   0.234
  580   2HG2  ILE  76          1HG2      ILE  76   7.628  -9.794   0.831
  581   3HG2  ILE  76          3HG2      ILE  76   6.810  -9.400  -0.682
  582   1HD1  ILE  76          3HD1      ILE  76   6.798 -11.284   1.175
  583   2HD1  ILE  76          2HD1      ILE  76   5.297 -12.192   1.363
  584   3HD1  ILE  76          1HD1      ILE  76   5.635 -11.348  -0.149
  585   1HB   ASP  77          2HB       ASP  77   6.432  -3.171   2.933
  586   2HB   ASP  77          1HB       ASP  77   7.022  -4.078   4.321
  587    H    ASP  77           H        ASP  77   7.637  -6.402   3.575
  588    HA   ASP  77           HA       ASP  77   7.673  -4.375   1.442
  589   1HB   TYR  78          2HB       TYR  78  11.360  -4.867  -0.328
  590   2HB   TYR  78          1HB       TYR  78  12.566  -3.587  -0.246
  591    H    TYR  78           H        TYR  78   9.633  -3.701   0.834
  592    HA   TYR  78           HA       TYR  78  11.941  -4.642   2.390
  593    HD1  TYR  78           HD1      TYR  78  14.814  -4.053   0.638
  594    HD2  TYR  78           HD2      TYR  78  11.926  -7.145   0.188
  595    HE1  TYR  78           HE1      TYR  78  16.593  -5.736   0.849
  596    HE2  TYR  78           HE2      TYR  78  13.698  -8.838   0.400
  597    HH   TYR  78           HH       TYR  78  16.122  -8.829   1.568
  598   1HA   GLY  79          2HA       GLY  79  12.302  -0.425   3.565
  599   2HA   GLY  79          1HA       GLY  79  10.611   0.024   3.374
  600    H    GLY  79           H        GLY  79  10.274  -2.161   2.777
  601   1HG1  ILE  80          1HG1      ILE  80  11.796   3.669   3.023
  602   2HG1  ILE  80          2HG1      ILE  80  12.598   5.232   2.902
  603    H    ILE  80           H        ILE  80  12.145   2.010   2.775
  604    HA   ILE  80           HA       ILE  80  11.617   2.722   0.178
  605    HB   ILE  80           HB       ILE  80  13.997   3.726   1.729
  606   1HG2  ILE  80          1HG2      ILE  80  12.282   4.929  -0.433
  607   2HG2  ILE  80          3HG2      ILE  80  13.441   5.851   0.526
  608   3HG2  ILE  80          2HG2      ILE  80  14.000   4.537  -0.509
  609   1HD1  ILE  80          1HD1      ILE  80  11.073   5.832   1.064
  610   2HD1  ILE  80          3HD1      ILE  80  10.237   4.296   1.292
  611   3HD1  ILE  80          2HD1      ILE  80  10.235   5.501   2.580
  612   1HB   ARG  81          2HB       ARG  81  14.084  -0.647  -3.732
  613   2HB   ARG  81          1HB       ARG  81  12.701  -0.643  -2.648
  614   1HG   ARG  81          2HG       ARG  81  11.674   0.097  -4.520
  615   2HG   ARG  81          1HG       ARG  81  12.218   1.652  -3.891
  616   1HD   ARG  81          2HD       ARG  81  12.967   1.809  -6.047
  617   2HD   ARG  81          1HD       ARG  81  14.377   1.082  -5.277
  618   1HH1  ARG  81          1HH1      ARG  81  14.184   1.788  -7.674
  619   2HH1  ARG  81          2HH1      ARG  81  14.392   1.009  -9.206
  620   1HH2  ARG  81          2HH2      ARG  81  13.178  -2.087  -8.126
  621   2HH2  ARG  81          1HH2      ARG  81  13.820  -1.193  -9.464
  622    H    ARG  81           H        ARG  81  12.253   1.694  -1.615
  623    HA   ARG  81           HA       ARG  81  14.818   0.346  -1.707
  624    HE   ARG  81           HE       ARG  81  12.911  -1.052  -6.111
  625   1HB   LEU  82          2HB       LEU  82  17.101   2.915  -3.527
  626   2HB   LEU  82          1HB       LEU  82  17.344   4.452  -4.331
  627    H    LEU  82           H        LEU  82  14.331   3.384  -1.748
  628    HA   LEU  82           HA       LEU  82  15.461   5.182  -2.558
  629    HG   LEU  82           HG       LEU  82  18.974   4.235  -2.586
  630   1HD1  LEU  82          2HD1      LEU  82  17.232   6.369  -2.819
  631   2HD1  LEU  82          1HD1      LEU  82  17.310   6.070  -1.082
  632   3HD1  LEU  82          3HD1      LEU  82  18.790   6.372  -1.994
  633   1HD2  LEU  82          3HD2      LEU  82  16.610   3.499  -0.906
  634   2HD2  LEU  82          2HD2      LEU  82  18.155   2.666  -1.090
  635   3HD2  LEU  82          1HD2      LEU  82  18.066   4.168  -0.170
  636   1HB   ASN  83          2HB       ASN  83  14.036   3.594  -6.698
  637   2HB   ASN  83          1HB       ASN  83  12.307   3.266  -6.756
  638   1HD2  ASN  83          2HD2      ASN  83  14.954   4.976  -8.207
  639   2HD2  ASN  83          1HD2      ASN  83  14.133   5.431  -9.657
  640    H    ASN  83           H        ASN  83  13.074   4.604  -3.720
  641    HA   ASN  83           HA       ASN  83  13.183   6.046  -6.124
  642   1HB   ARG  84          2HB       ARG  84   8.374   7.912  -3.439
  643   2HB   ARG  84          1HB       ARG  84  10.085   7.822  -3.046
  644   1HG   ARG  84          2HG       ARG  84   9.256   9.087  -5.611
  645   2HG   ARG  84          1HG       ARG  84   9.063   9.981  -4.102
  646   1HD   ARG  84          2HD       ARG  84  11.267  10.327  -3.889
  647   2HD   ARG  84          1HD       ARG  84  11.666   8.681  -4.379
  648   1HH1  ARG  84          1HH1      ARG  84  13.424   8.883  -4.818
  649   2HH1  ARG  84          2HH1      ARG  84  14.568   9.120  -6.097
  650   1HH2  ARG  84          1HH2      ARG  84  12.340  10.844  -8.164
  651   2HH2  ARG  84          2HH2      ARG  84  13.952  10.235  -7.997
  652    H    ARG  84           H        ARG  84  11.557   7.128  -4.949
  653    HA   ARG  84           HA       ARG  84   9.136   5.787  -4.192
  654    HE   ARG  84           HE       ARG  84  10.839  10.528  -6.474
  655   1HB   SER  85          2HB       SER  85  10.370   6.973  -9.367
  656   2HB   SER  85          1HB       SER  85   8.931   7.199 -10.362
  657    H    SER  85           H        SER  85  10.093   5.875  -7.076
  658    HA   SER  85           HA       SER  85   7.572   6.867  -8.235
  659    HG   SER  85           HG       SER  85   9.087   9.198  -9.744
  660   1HB   GLU  86          2HB       GLU  86   7.767   1.929  -6.631
  661   2HB   GLU  86          1HB       GLU  86   8.051   0.663  -7.818
  662   1HG   GLU  86          2HG       GLU  86  10.366   2.303  -7.690
  663   2HG   GLU  86          1HG       GLU  86   9.893   1.870  -6.048
  664    H    GLU  86           H        GLU  86   8.353   4.186  -7.205
  665    HA   GLU  86           HA       GLU  86   8.757   2.463  -9.436
  666   1HB   ARG  87          2HB       ARG  87   5.444  -0.863 -11.122
  667   2HB   ARG  87          1HB       ARG  87   4.096   0.072 -11.751
  668   1HG   ARG  87          2HG       ARG  87   5.486   1.615 -12.790
  669   2HG   ARG  87          1HG       ARG  87   6.876   1.175 -11.797
  670   1HD   ARG  87          2HD       ARG  87   5.926  -1.109 -13.263
  671   2HD   ARG  87          1HD       ARG  87   6.240   0.235 -14.359
  672   1HH1  ARG  87          1HH1      ARG  87   6.626  -2.613 -13.278
  673   2HH1  ARG  87          2HH1      ARG  87   8.008  -3.650 -13.165
  674   1HH2  ARG  87          2HH2      ARG  87  10.331  -1.037 -13.159
  675   2HH2  ARG  87          1HH2      ARG  87  10.115  -2.754 -13.097
  676    H    ARG  87           H        ARG  87   6.965   0.490  -9.372
  677    HA   ARG  87           HA       ARG  87   4.445   1.809 -10.135
  678    HE   ARG  87           HE       ARG  87   8.503   0.320 -13.309
  679   1HB   TRP  88          2HB       TRP  88   3.951   1.257  -5.401
  680   2HB   TRP  88          1HB       TRP  88   3.023  -0.066  -4.711
  681    H    TRP  88           H        TRP  88   3.922   1.644  -7.815
  682    HA   TRP  88           HA       TRP  88   3.009  -1.060  -7.079
  683    HD1  TRP  88           HD1      TRP  88   6.410   0.953  -4.879
  684    HE1  TRP  88           HE1      TRP  88   8.053  -1.023  -4.738
  685    HE3  TRP  88           HE3      TRP  88   3.172  -2.854  -5.929
  686    HZ2  TRP  88           HZ2      TRP  88   7.972  -3.838  -5.021
  687    HZ3  TRP  88           HZ3      TRP  88   4.032  -5.158  -5.975
  688    HH2  TRP  88           HH2      TRP  88   6.384  -5.638  -5.534
  689   1HB   ASP  89          2HB       ASP  89  -0.648  -1.144  -4.390
  690   2HB   ASP  89          1HB       ASP  89  -2.044  -0.075  -4.255
  691    H    ASP  89           H        ASP  89   1.447  -0.125  -4.881
  692    HA   ASP  89           HA       ASP  89  -0.805   1.114  -6.319
  693    H    ALA  90           H        ALA  90  -2.188   1.192  -3.613
  694    HA   ALA  90           HA       ALA  90  -0.642   3.071  -2.078
  695   1HB   ALA  90          2HB       ALA  90  -1.254   4.724  -3.559
  696   2HB   ALA  90          3HB       ALA  90  -2.535   4.831  -2.351
  697   3HB   ALA  90          1HB       ALA  90  -2.831   4.002  -3.879
  698   1HB   TYR  91          2HB       TYR  91  -0.960   1.593   1.942
  699   2HB   TYR  91          1HB       TYR  91  -2.366   1.349   2.972
  700    H    TYR  91           H        TYR  91  -1.095   2.622  -0.045
  701    HA   TYR  91           HA       TYR  91  -3.630   1.356   0.633
  702    HD1  TYR  91           HD1      TYR  91  -4.030  -0.494   1.546
  703    HD2  TYR  91           HD2      TYR  91   0.215  -0.389   1.795
  704    HE1  TYR  91           HE1      TYR  91  -3.951  -2.909   1.096
  705    HE2  TYR  91           HE2      TYR  91   0.307  -2.803   1.342
  706    HH   TYR  91           HH       TYR  91  -1.589  -4.501   0.007
  707   1HB   CYS  92          2HB       CYS  92  -7.076   4.473   0.770
  708   2HB   CYS  92          1HB       CYS  92  -6.829   6.175   1.124
  709    H    CYS  92           H        CYS  92  -4.805   3.379   0.216
  710    HA   CYS  92           HA       CYS  92  -4.464   5.757   1.580
  711   1HB   TYR  93          2HB       TYR  93  -4.635   4.734   5.744
  712   2HB   TYR  93          1HB       TYR  93  -4.670   6.470   6.044
  713    H    TYR  93           H        TYR  93  -5.948   6.653   3.268
  714    HA   TYR  93           HA       TYR  93  -7.069   4.837   5.185
  715    HD1  TYR  93           HD1      TYR  93  -6.948   7.021   7.619
  716    HD2  TYR  93           HD2      TYR  93  -4.512   3.532   7.703
  717    HE1  TYR  93           HE1      TYR  93  -7.639   6.607   9.939
  718    HE2  TYR  93           HE2      TYR  93  -5.199   3.103  10.023
  719    HH   TYR  93           HH       TYR  93  -6.208   4.988  12.022
  720   1HB   ASN  94          2HB       ASN  94  -9.583   7.929   4.441
  721   2HB   ASN  94          1HB       ASN  94 -10.918   8.494   5.441
  722   1HD2  ASN  94          2HD2      ASN  94 -11.159  10.413   4.384
  723   2HD2  ASN  94          1HD2      ASN  94  -9.999  11.692   4.463
  724    H    ASN  94           H        ASN  94  -8.600   5.817   6.377
  725    HA   ASN  94           HA       ASN  94  -8.598   8.557   7.060
  726   1HB   PRO  95          2HB       PRO  95 -11.885   8.705  11.441
  727   2HB   PRO  95          1HB       PRO  95 -10.404   7.741  11.403
  728   1HG   PRO  95          2HG       PRO  95 -10.921  10.465  10.338
  729   2HG   PRO  95          1HG       PRO  95  -9.433   9.784  11.012
  730   1HD   PRO  95          1HD       PRO  95 -10.036  10.097   8.290
  731   2HD   PRO  95          2HD       PRO  95  -8.724   9.119   8.965
  732    HA   PRO  95           HA       PRO  95 -11.569   6.649   9.733
  733   1HB   HIS  96          2HB       HIS  96 -13.006  11.397   7.498
  734   2HB   HIS  96          1HB       HIS  96 -14.533  11.464   6.624
  735    H    HIS  96           H        HIS  96 -12.039   9.197   7.611
  736    HA   HIS  96           HA       HIS  96 -14.934   9.267   8.173
  737    HD1  HIS  96           HD1      HIS  96 -16.576  10.791   8.681
  738    HD2  HIS  96           HD2      HIS  96 -13.258  13.137   9.546
  739    HE1  HIS  96           HE1      HIS  96 -17.210  12.128  10.715
  740    HE2  HIS  96           HE2      HIS  96 -15.162  13.490  11.260
  741    H    ALA  97           H        ALA  97 -12.724   7.933   6.194
  742    HA   ALA  97           HA       ALA  97 -14.021   8.368   3.652
  743   1HB   ALA  97          3HB       ALA  97 -11.794   6.513   4.482
  744   2HB   ALA  97          1HB       ALA  97 -11.643   8.054   3.636
  745   3HB   ALA  97          2HB       ALA  97 -12.389   6.674   2.830
  746   1HB   LYS  98          2HB       LYS  98 -17.590   6.827   6.512
  747   2HB   LYS  98          1HB       LYS  98 -18.703   5.616   5.887
  748   1HG   LYS  98          2HG       LYS  98 -18.285   4.797   7.983
  749   2HG   LYS  98          1HG       LYS  98 -17.069   3.936   7.037
  750   1HD   LYS  98          2HD       LYS  98 -15.396   5.613   7.674
  751   2HD   LYS  98          1HD       LYS  98 -16.613   6.455   8.634
  752   1HE   LYS  98          2HE       LYS  98 -16.408   5.029  10.342
  753   2HE   LYS  98          1HE       LYS  98 -16.423   3.623   9.277
  754    H    LYS  98           H        LYS  98 -15.938   7.481   5.337
  755    HA   LYS  98           HA       LYS  98 -16.238   4.618   5.153
  756   1HZ   LYS  98          3HZ       LYS  98 -13.991   4.955   8.926
  757   2HZ   LYS  98          2HZ       LYS  98 -14.238   4.782  10.590
  758   3HZ   LYS  98          1HZ       LYS  98 -14.255   3.421   9.587

  No H/Q in entry =         758
  Start of MODEL    6
    1   1HA   GLY   1          2HA       GLY   1  -9.530   1.963   8.741
    2   2HA   GLY   1          1HA       GLY   1 -10.368   3.447   8.312
    3    H1   GLY   1          1H        GLY   1 -11.174   1.044   6.881
    4    H2   GLY   1          3H        GLY   1 -11.589   1.119   8.519
    5    H3   GLY   1          2H        GLY   1 -12.112   2.329   7.457
    6    H    VAL   2           H        VAL   2  -7.872   1.334   7.507
    7    HA   VAL   2           HA       VAL   2  -7.190   2.953   5.200
    8    HB   VAL   2           HB       VAL   2  -5.337   2.586   6.573
    9   1HG1  VAL   2          2HG1      VAL   2  -6.581  -0.002   7.044
   10   2HG1  VAL   2          1HG1      VAL   2  -4.828  -0.095   6.868
   11   3HG1  VAL   2          3HG1      VAL   2  -5.537   0.964   8.089
   12   1HG2  VAL   2          1HG2      VAL   2  -5.358   0.931   4.115
   13   2HG2  VAL   2          3HG2      VAL   2  -4.373   2.335   4.536
   14   3HG2  VAL   2          2HG2      VAL   2  -3.989   0.751   5.213
   15   1HB   TYR   3          2HB       TYR   3  -9.381   0.525   0.599
   16   2HB   TYR   3          1HB       TYR   3 -10.061   0.653   2.216
   17    H    TYR   3           H        TYR   3  -7.374   2.367   3.133
   18    HA   TYR   3           HA       TYR   3  -8.007  -0.442   2.535
   19    HD1  TYR   3           HD1      TYR   3  -8.813   2.990   3.362
   20    HD2  TYR   3           HD2      TYR   3 -10.078   2.330  -0.645
   21    HE1  TYR   3           HE1      TYR   3  -9.099   5.415   3.060
   22    HE2  TYR   3           HE2      TYR   3 -10.365   4.752  -0.959
   23    HH   TYR   3           HH       TYR   3 -10.713   6.872   1.294
   24   1HB   HIS   4          2HB       HIS   4  -4.393  -1.796  -0.719
   25   2HB   HIS   4          1HB       HIS   4  -6.005  -2.451  -0.458
   26    H    HIS   4           H        HIS   4  -7.688  -0.929   0.144
   27    HA   HIS   4           HA       HIS   4  -5.162   0.309  -0.726
   28    HD1  HIS   4           HD1      HIS   4  -7.278  -3.320  -2.506
   29    HD2  HIS   4           HD2      HIS   4  -3.553  -1.715  -3.411
   30    HE1  HIS   4           HE1      HIS   4  -6.815  -3.995  -4.883
   31    HE2  HIS   4           HE2      HIS   4  -4.573  -2.978  -5.424
   32   1HB   ARG   5          2HB       ARG   5  -6.303   3.351  -3.704
   33   2HB   ARG   5          1HB       ARG   5  -7.238   3.076  -5.166
   34   1HG   ARG   5          2HG       ARG   5  -8.165   1.951  -2.558
   35   2HG   ARG   5          1HG       ARG   5  -8.453   3.646  -2.956
   36   1HD   ARG   5          2HD       ARG   5  -9.296   2.550  -5.231
   37   2HD   ARG   5          1HD       ARG   5  -9.595   1.185  -4.156
   38   1HH1  ARG   5          1HH1      ARG   5 -10.682   0.481  -3.045
   39   2HH1  ARG   5          2HH1      ARG   5 -12.216   0.495  -2.238
   40   1HH2  ARG   5          2HH2      ARG   5 -12.860   3.867  -2.899
   41   2HH2  ARG   5          1HH2      ARG   5 -13.454   2.420  -2.157
   42    H    ARG   5           H        ARG   5  -4.965   1.102  -2.761
   43    HA   ARG   5           HA       ARG   5  -7.085   0.612  -4.705
   44    HE   ARG   5           HE       ARG   5 -10.841   3.839  -3.959
   45   1HB   GLU   6          2HB       GLU   6  -3.866   0.105  -9.239
   46   2HB   GLU   6          1HB       GLU   6  -5.019  -0.626  -8.132
   47   1HG   GLU   6          2HG       GLU   6  -6.215   1.526  -9.646
   48   2HG   GLU   6          1HG       GLU   6  -5.524   0.287 -10.693
   49    H    GLU   6           H        GLU   6  -6.521   1.266  -6.871
   50    HA   GLU   6           HA       GLU   6  -3.608   1.351  -7.280
   51    H    ALA   7           H        ALA   7  -3.537   2.040  -9.925
   52    HA   ALA   7           HA       ALA   7  -4.094   4.881  -9.767
   53   1HB   ALA   7          2HB       ALA   7  -2.478   5.161 -11.329
   54   2HB   ALA   7          1HB       ALA   7  -1.999   3.555 -10.778
   55   3HB   ALA   7          3HB       ALA   7  -2.961   3.733 -12.245
   56   1HB   ARG   8          2HB       ARG   8  -7.819   7.020 -13.659
   57   2HB   ARG   8          1HB       ARG   8  -7.616   7.234 -11.926
   58   1HG   ARG   8          2HG       ARG   8  -5.454   8.018 -12.140
   59   2HG   ARG   8          1HG       ARG   8  -5.232   7.273 -13.723
   60   1HD   ARG   8          2HD       ARG   8  -7.378   9.276 -13.575
   61   2HD   ARG   8          1HD       ARG   8  -5.750   9.904 -13.321
   62   1HH1  ARG   8          1HH1      ARG   8  -4.223  10.297 -14.053
   63   2HH1  ARG   8          2HH1      ARG   8  -3.319  10.655 -15.487
   64   1HH2  ARG   8          1HH2      ARG   8  -5.573   9.082 -17.648
   65   2HH2  ARG   8          2HH2      ARG   8  -4.087   9.965 -17.531
   66    H    ARG   8           H        ARG   8  -5.107   6.042 -11.557
   67    HA   ARG   8           HA       ARG   8  -7.618   4.904 -12.246
   68    HE   ARG   8           HE       ARG   8  -6.753   8.615 -15.754
   69   1HB   SER   9          2HB       SER   9  -2.882   4.184 -16.623
   70   2HB   SER   9          1HB       SER   9  -3.807   5.630 -17.032
   71    H    SER   9           H        SER   9  -4.550   5.177 -13.864
   72    HA   SER   9           HA       SER   9  -5.635   4.453 -16.451
   73    HG   SER   9           HG       SER   9  -2.668   6.515 -15.505
   74   1HA   GLY  10          2HA       GLY  10  -3.726   0.438 -15.025
   75   2HA   GLY  10          1HA       GLY  10  -5.287   0.332 -14.225
   76    H    GLY  10           H        GLY  10  -4.598   2.850 -13.654
   77   1HB   LYS  11          2HB       LYS  11  -4.713  -2.338 -10.788
   78   2HB   LYS  11          1HB       LYS  11  -3.344  -3.263 -11.393
   79   1HG   LYS  11          2HG       LYS  11  -2.183  -3.004  -9.299
   80   2HG   LYS  11          1HG       LYS  11  -3.456  -1.945  -8.688
   81   1HD   LYS  11          2HD       LYS  11  -4.469  -3.750  -7.873
   82   2HD   LYS  11          1HD       LYS  11  -4.763  -4.266  -9.535
   83   1HE   LYS  11          2HE       LYS  11  -2.328  -4.927  -7.882
   84   2HE   LYS  11          1HE       LYS  11  -3.666  -6.021  -8.232
   85    H    LYS  11           H        LYS  11  -4.063  -1.413 -13.077
   86    HA   LYS  11           HA       LYS  11  -3.147  -0.373 -10.540
   87   1HZ   LYS  11          3HZ       LYS  11  -2.677  -4.958 -10.643
   88   2HZ   LYS  11          2HZ       LYS  11  -1.383  -5.588  -9.754
   89   3HZ   LYS  11          1HZ       LYS  11  -2.705  -6.571 -10.132
   90   1HB   TYR  12          2HB       TYR  12   0.263  -3.186 -11.474
   91   2HB   TYR  12          1HB       TYR  12   1.973  -2.771 -11.447
   92    H    TYR  12           H        TYR  12  -1.161  -0.960  -9.531
   93    HA   TYR  12           HA       TYR  12   1.098  -1.201  -9.436
   94    HD1  TYR  12           HD1      TYR  12   0.738  -2.345  -8.201
   95    HD2  TYR  12           HD2      TYR  12   1.869  -5.383 -10.957
   96    HE1  TYR  12           HE1      TYR  12   1.090  -3.902  -6.331
   97    HE2  TYR  12           HE2      TYR  12   2.221  -6.949  -9.095
   98    HH   TYR  12           HH       TYR  12   1.511  -7.253  -6.785
   99   1HB   LYS  13          2HB       LYS  13   1.695   2.748 -13.809
  100   2HB   LYS  13          1HB       LYS  13   1.267   1.049 -13.656
  101   1HG   LYS  13          2HG       LYS  13  -0.848   1.517 -12.851
  102   2HG   LYS  13          1HG       LYS  13  -0.399   3.140 -12.325
  103   1HD   LYS  13          2HD       LYS  13  -1.686   3.530 -14.224
  104   2HD   LYS  13          1HD       LYS  13  -0.030   3.615 -14.830
  105   1HE   LYS  13          2HE       LYS  13  -0.760   0.921 -15.007
  106   2HE   LYS  13          1HE       LYS  13  -2.163   1.828 -15.571
  107    H    LYS  13           H        LYS  13   0.905   1.144 -10.148
  108    HA   LYS  13           HA       LYS  13   2.940   1.733 -11.983
  109   1HZ   LYS  13          2HZ       LYS  13   0.590   2.292 -16.572
  110   2HZ   LYS  13          1HZ       LYS  13  -0.511   1.249 -17.323
  111   3HZ   LYS  13          3HZ       LYS  13  -0.853   2.903 -17.209
  112   1HB   LEU  14          2HB       LEU  14   0.663   3.377  -7.454
  113   2HB   LEU  14          1HB       LEU  14   0.643   5.105  -7.190
  114    H    LEU  14           H        LEU  14   1.600   2.432  -9.354
  115    HA   LEU  14           HA       LEU  14   1.196   5.307  -9.693
  116    HG   LEU  14           HG       LEU  14  -1.078   3.846  -9.302
  117   1HD1  LEU  14          1HD1      LEU  14  -1.270   3.431  -6.479
  118   2HD1  LEU  14          3HD1      LEU  14  -2.636   4.404  -7.027
  119   3HD1  LEU  14          2HD1      LEU  14  -2.318   2.835  -7.768
  120   1HD2  LEU  14          2HD2      LEU  14  -1.086   6.434  -7.777
  121   2HD2  LEU  14          1HD2      LEU  14  -0.960   6.188  -9.519
  122   3HD2  LEU  14          3HD2      LEU  14  -2.483   5.864  -8.691
  123    H    THR  15           H        THR  15   2.397   6.843  -8.561
  124    HA   THR  15           HA       THR  15   5.041   5.906  -7.686
  125    HB   THR  15           HB       THR  15   5.826   8.187  -8.027
  126    HG1  THR  15           HG1      THR  15   3.726   9.165  -7.505
  127   1HG2  THR  15          2HG2      THR  15   5.319   6.446  -9.984
  128   2HG2  THR  15          1HG2      THR  15   4.266   7.757 -10.515
  129   3HG2  THR  15          3HG2      THR  15   5.992   8.046 -10.296
  130   1HB   TYR  16          2HB       TYR  16   6.820   8.011  -3.777
  131   2HB   TYR  16          1HB       TYR  16   6.584   9.648  -4.379
  132    H    TYR  16           H        TYR  16   5.707   8.281  -6.247
  133    HA   TYR  16           HA       TYR  16   4.398   7.652  -3.746
  134    HD1  TYR  16           HD1      TYR  16   5.435   7.514  -1.530
  135    HD2  TYR  16           HD2      TYR  16   6.713  11.356  -2.837
  136    HE1  TYR  16           HE1      TYR  16   5.306   8.335   0.781
  137    HE2  TYR  16           HE2      TYR  16   6.590  12.189  -0.525
  138    HH   TYR  16           HH       TYR  16   6.423  11.555   1.655
  139    H    ALA  17           H        ALA  17   4.883  10.570  -5.720
  140    HA   ALA  17           HA       ALA  17   3.116  12.184  -4.178
  141   1HB   ALA  17          1HB       ALA  17   4.962  13.065  -5.589
  142   2HB   ALA  17          3HB       ALA  17   4.026  12.620  -7.017
  143   3HB   ALA  17          2HB       ALA  17   3.405  13.837  -5.899
  144   1HB   GLU  18          2HB       GLU  18   1.769   8.516  -8.292
  145   2HB   GLU  18          1HB       GLU  18   0.108   8.670  -8.847
  146   1HG   GLU  18          2HG       GLU  18   0.626  10.480 -10.245
  147   2HG   GLU  18          1HG       GLU  18   2.187  10.739  -9.465
  148    H    GLU  18           H        GLU  18   2.744  10.057  -6.910
  149    HA   GLU  18           HA       GLU  18   0.167  10.994  -7.708
  150    H    ALA  19           H        ALA  19   1.280   8.124  -5.936
  151    HA   ALA  19           HA       ALA  19  -1.159   6.991  -5.321
  152   1HB   ALA  19          2HB       ALA  19   0.344   5.553  -4.517
  153   2HB   ALA  19          3HB       ALA  19   0.379   6.551  -3.061
  154   3HB   ALA  19          1HB       ALA  19   1.563   6.818  -4.343
  155   1HB   LYS  20          2HB       LYS  20   1.230  10.679  -1.628
  156   2HB   LYS  20          1HB       LYS  20   0.496  11.985  -2.548
  157   1HG   LYS  20          2HG       LYS  20  -1.055  12.098  -0.389
  158   2HG   LYS  20          1HG       LYS  20   0.393  11.412   0.351
  159   1HD   LYS  20          2HD       LYS  20   1.451  13.398  -1.183
  160   2HD   LYS  20          1HD       LYS  20  -0.093  14.105  -0.704
  161   1HE   LYS  20          2HE       LYS  20   0.629  14.468   1.368
  162   2HE   LYS  20          1HE       LYS  20   1.185  12.804   1.529
  163    H    LYS  20           H        LYS  20   0.629   9.473  -3.539
  164    HA   LYS  20           HA       LYS  20  -1.118   9.726  -1.381
  165   1HZ   LYS  20          1HZ       LYS  20   2.737  14.873   0.086
  166   2HZ   LYS  20          3HZ       LYS  20   2.932  14.574   1.741
  167   3HZ   LYS  20          2HZ       LYS  20   3.267  13.356   0.616
  168    H    ALA  21           H        ALA  21  -1.045  11.366  -4.514
  169    HA   ALA  21           HA       ALA  21  -3.117  13.203  -3.993
  170   1HB   ALA  21          2HB       ALA  21  -2.396  13.950  -5.955
  171   2HB   ALA  21          1HB       ALA  21  -1.484  12.463  -6.216
  172   3HB   ALA  21          3HB       ALA  21  -3.165  12.572  -6.742
  173    H    VAL  22           H        VAL  22  -3.155  10.018  -5.571
  174    HA   VAL  22           HA       VAL  22  -5.845   9.877  -6.216
  175    HB   VAL  22           HB       VAL  22  -3.685   7.923  -5.750
  176   1HG1  VAL  22          2HG1      VAL  22  -5.423   6.984  -4.334
  177   2HG1  VAL  22          1HG1      VAL  22  -6.574   7.078  -5.667
  178   3HG1  VAL  22          3HG1      VAL  22  -5.183   5.997  -5.778
  179   1HG2  VAL  22          3HG2      VAL  22  -4.210   8.832  -7.957
  180   2HG2  VAL  22          2HG2      VAL  22  -4.439   7.083  -7.907
  181   3HG2  VAL  22          1HG2      VAL  22  -5.837   8.158  -7.848
  182   1HB   CYS  23          2HB       CYS  23  -3.694   9.102  -1.161
  183   2HB   CYS  23          1HB       CYS  23  -4.851   9.329   0.146
  184    H    CYS  23           H        CYS  23  -4.199   9.252  -3.183
  185    HA   CYS  23           HA       CYS  23  -6.378   8.109  -1.795
  186   1HB   GLU  24          2HB       GLU  24  -4.966  13.578  -1.977
  187   2HB   GLU  24          1HB       GLU  24  -6.221  14.669  -1.407
  188   1HG   GLU  24          2HG       GLU  24  -5.494  14.459   0.847
  189   2HG   GLU  24          1HG       GLU  24  -4.395  13.145   0.429
  190    H    GLU  24           H        GLU  24  -4.996  11.383  -1.650
  191    HA   GLU  24           HA       GLU  24  -6.913  12.524   0.013
  192   1HB   PHE  25          2HB       PHE  25  -7.770  12.725  -5.591
  193   2HB   PHE  25          1HB       PHE  25  -8.248  11.034  -5.479
  194    H    PHE  25           H        PHE  25  -7.177  11.543  -3.250
  195    HA   PHE  25           HA       PHE  25  -9.429  13.282  -3.833
  196    HD1  PHE  25           HD1      PHE  25  -9.536  14.420  -6.271
  197    HD2  PHE  25           HD2      PHE  25 -10.038  10.218  -6.725
  198    HE1  PHE  25           HE1      PHE  25 -11.305  14.815  -7.935
  199    HE2  PHE  25           HE2      PHE  25 -11.807  10.605  -8.391
  200    HZ   PHE  25           HZ       PHE  25 -12.444  12.906  -8.996
  201   1HB   GLU  26          2HB       GLU  26  -9.098   7.728  -2.801
  202   2HB   GLU  26          1HB       GLU  26 -10.638   7.001  -2.371
  203   1HG   GLU  26          2HG       GLU  26 -10.942   8.162  -4.927
  204   2HG   GLU  26          1HG       GLU  26  -9.430   7.254  -4.931
  205    H    GLU  26           H        GLU  26  -8.802  10.000  -2.847
  206    HA   GLU  26           HA       GLU  26 -11.624   9.292  -3.168
  207   1HA   GLY  27          1HA       GLY  27 -12.079  10.198   1.103
  208   2HA   GLY  27          2HA       GLY  27 -10.943  11.539   1.159
  209    H    GLY  27           H        GLY  27 -10.493  11.108  -1.055
  210   1HA   GLY  28          2HA       GLY  28  -7.931   8.228   2.223
  211   2HA   GLY  28          1HA       GLY  28  -8.021   9.430   3.506
  212    H    GLY  28           H        GLY  28  -8.565  10.778   1.145
  213   1HB   HIS  29          2HB       HIS  29  -2.529  10.605   3.488
  214   2HB   HIS  29          1HB       HIS  29  -4.014  11.494   3.166
  215    H    HIS  29           H        HIS  29  -5.659   8.390   3.376
  216    HA   HIS  29           HA       HIS  29  -3.967   9.836   1.503
  217    HD1  HIS  29           HD1      HIS  29  -5.474  11.848   5.131
  218    HD2  HIS  29           HD2      HIS  29  -2.951   8.586   5.642
  219    HE1  HIS  29           HE1      HIS  29  -5.883  11.043   7.478
  220    HE2  HIS  29           HE2      HIS  29  -4.265   9.139   7.800
  221   1HB   LEU  30          2HB       LEU  30   0.778   8.591   2.422
  222   2HB   LEU  30          1HB       LEU  30   1.132   6.947   1.939
  223    H    LEU  30           H        LEU  30  -1.588   9.262   1.943
  224    HA   LEU  30           HA       LEU  30  -1.286   6.487   1.765
  225    HG   LEU  30           HG       LEU  30  -0.069   9.140   0.264
  226   1HD1  LEU  30          3HD1      LEU  30   2.382   9.075   0.485
  227   2HD1  LEU  30          2HD1      LEU  30   2.377   7.420  -0.122
  228   3HD1  LEU  30          1HD1      LEU  30   1.844   8.741  -1.161
  229   1HD2  LEU  30          3HD2      LEU  30  -0.885   6.523   0.134
  230   2HD2  LEU  30          2HD2      LEU  30  -0.967   7.696  -1.181
  231   3HD2  LEU  30          1HD2      LEU  30   0.404   6.593  -1.067
  232    H    ALA  31           H        ALA  31  -1.725   5.121   3.372
  233    HA   ALA  31           HA       ALA  31  -1.680   5.756   6.110
  234   1HB   ALA  31          1HB       ALA  31  -2.034   3.312   4.507
  235   2HB   ALA  31          3HB       ALA  31  -1.485   3.077   6.167
  236   3HB   ALA  31          2HB       ALA  31  -2.989   3.944   5.850
  237    H    THR  32           H        THR  32  -0.410   3.699   7.380
  238    HA   THR  32           HA       THR  32   2.434   4.027   6.720
  239    HB   THR  32           HB       THR  32   3.021   4.880   8.723
  240    HG1  THR  32           HG1      THR  32   1.261   4.259  10.549
  241   1HG2  THR  32          1HG2      THR  32   0.117   5.566   8.462
  242   2HG2  THR  32          3HG2      THR  32   1.062   6.164   9.826
  243   3HG2  THR  32          2HG2      THR  32   1.531   6.582   8.179
  244   1HB   TYR  33          2HB       TYR  33   5.403   0.885   8.007
  245   2HB   TYR  33          1HB       TYR  33   5.015   0.525   9.684
  246    H    TYR  33           H        TYR  33   3.816   2.473   8.003
  247    HA   TYR  33           HA       TYR  33   3.073  -0.157   7.498
  248    HD1  TYR  33           HD1      TYR  33   5.813  -0.912   6.410
  249    HD2  TYR  33           HD2      TYR  33   4.936  -1.759  10.485
  250    HE1  TYR  33           HE1      TYR  33   6.615  -3.214   6.097
  251    HE2  TYR  33           HE2      TYR  33   5.735  -4.064  10.184
  252    HH   TYR  33           HH       TYR  33   6.883  -5.214   7.025
  253   1HB   LYS  34          2HB       LYS  34   2.294   2.474  12.379
  254   2HB   LYS  34          1HB       LYS  34   1.091   1.716  13.408
  255   1HG   LYS  34          2HG       LYS  34   2.684   0.585  14.659
  256   2HG   LYS  34          1HG       LYS  34   3.923   0.755  13.413
  257   1HD   LYS  34          2HD       LYS  34   4.604   2.322  14.963
  258   2HD   LYS  34          1HD       LYS  34   3.634   3.306  13.865
  259   1HE   LYS  34          2HE       LYS  34   1.796   2.346  15.696
  260   2HE   LYS  34          1HE       LYS  34   3.222   2.693  16.675
  261    H    LYS  34           H        LYS  34   3.119   1.577  10.598
  262    HA   LYS  34           HA       LYS  34   2.185  -0.472  12.225
  263   1HZ   LYS  34          1HZ       LYS  34   2.167   4.658  14.735
  264   2HZ   LYS  34          3HZ       LYS  34   1.561   4.562  16.313
  265   3HZ   LYS  34          2HZ       LYS  34   3.193   4.924  16.054
  266   1HB   GLN  35          2HB       GLN  35  -1.528   2.314   8.532
  267   2HB   GLN  35          1HB       GLN  35  -3.006   2.551   9.450
  268   1HG   GLN  35          2HG       GLN  35  -1.550   3.779  11.147
  269   2HG   GLN  35          1HG       GLN  35  -0.320   3.796   9.885
  270   1HE2  GLN  35          1HE2      GLN  35  -2.824   5.477  11.218
  271   2HE2  GLN  35          2HE2      GLN  35  -3.180   6.542   9.905
  272    H    GLN  35           H        GLN  35   0.364   2.002  10.444
  273    HA   GLN  35           HA       GLN  35  -2.197   1.257  11.275
  274   1HB   LEU  36          2HB       LEU  36   0.864  -1.262   7.393
  275   2HB   LEU  36          1HB       LEU  36   0.379  -2.926   7.138
  276    H    LEU  36           H        LEU  36  -0.116   0.020   8.725
  277    HA   LEU  36           HA       LEU  36  -2.032  -1.593   7.427
  278    HG   LEU  36           HG       LEU  36   0.646  -1.843   5.003
  279   1HD1  LEU  36          3HD1      LEU  36  -1.624  -3.193   5.807
  280   2HD1  LEU  36          2HD1      LEU  36  -2.253  -1.789   4.941
  281   3HD1  LEU  36          1HD1      LEU  36  -1.123  -2.883   4.144
  282   1HD2  LEU  36          1HD2      LEU  36  -0.333   0.414   6.330
  283   2HD2  LEU  36          3HD2      LEU  36   0.152   0.288   4.639
  284   3HD2  LEU  36          2HD2      LEU  36  -1.532   0.029   5.095
  285   1HB   GLU  37          2HB       GLU  37   1.247  -3.444  11.831
  286   2HB   GLU  37          1HB       GLU  37  -0.067  -2.731  12.750
  287   1HG   GLU  37          2HG       GLU  37  -0.641  -5.186  13.347
  288   2HG   GLU  37          1HG       GLU  37   1.024  -5.503  12.861
  289    H    GLU  37           H        GLU  37  -0.100  -2.024  10.292
  290    HA   GLU  37           HA       GLU  37  -0.414  -4.820  10.593
  291    H    ALA  38           H        ALA  38  -2.055  -2.131  12.225
  292    HA   ALA  38           HA       ALA  38  -3.984  -3.554  13.603
  293   1HB   ALA  38          1HB       ALA  38  -3.555  -1.126  13.847
  294   2HB   ALA  38          2HB       ALA  38  -5.269  -1.508  13.681
  295   3HB   ALA  38          3HB       ALA  38  -4.372  -0.858  12.306
  296    H    ALA  39           H        ALA  39  -3.777  -2.757  10.241
  297    HA   ALA  39           HA       ALA  39  -6.507  -3.475   9.626
  298   1HB   ALA  39          1HB       ALA  39  -4.192  -3.032   7.747
  299   2HB   ALA  39          2HB       ALA  39  -5.256  -1.759   8.344
  300   3HB   ALA  39          3HB       ALA  39  -5.906  -3.048   7.331
  301   1HB   ARG  40          2HB       ARG  40  -1.684  -6.493   8.647
  302   2HB   ARG  40          1HB       ARG  40  -1.950  -7.039  10.297
  303   1HG   ARG  40          2HG       ARG  40  -2.598  -9.160   8.503
  304   2HG   ARG  40          1HG       ARG  40  -1.004  -8.523   8.100
  305   1HD   ARG  40          2HD       ARG  40  -0.634  -8.641  10.686
  306   2HD   ARG  40          1HD       ARG  40  -1.956  -9.804  10.621
  307   1HH1  ARG  40          1HH1      ARG  40  -1.324 -11.060  11.792
  308   2HH1  ARG  40          2HH1      ARG  40  -0.505 -12.576  11.969
  309   1HH2  ARG  40          1HH2      ARG  40   1.361 -12.240   9.033
  310   2HH2  ARG  40          2HH2      ARG  40   1.022 -13.246  10.402
  311    H    ARG  40           H        ARG  40  -3.375  -4.983   9.682
  312    HA   ARG  40           HA       ARG  40  -3.997  -7.240   8.080
  313    HE   ARG  40           HE       ARG  40   0.277 -10.245   8.808
  314   1HB   LYS  41          2HB       LYS  41  -5.523  -8.099  14.432
  315   2HB   LYS  41          1HB       LYS  41  -4.441  -6.899  13.741
  316   1HG   LYS  41          2HG       LYS  41  -6.157  -5.462  13.204
  317   2HG   LYS  41          1HG       LYS  41  -7.367  -6.747  13.194
  318   1HD   LYS  41          2HD       LYS  41  -7.622  -6.718  15.467
  319   2HD   LYS  41          1HD       LYS  41  -5.975  -6.150  15.753
  320   1HE   LYS  41          2HE       LYS  41  -6.558  -3.979  15.605
  321   2HE   LYS  41          1HE       LYS  41  -7.712  -4.273  14.305
  322    H    LYS  41           H        LYS  41  -4.304  -6.534  11.513
  323    HA   LYS  41           HA       LYS  41  -4.845  -9.099  12.446
  324   1HZ   LYS  41          1HZ       LYS  41  -8.223  -4.968  17.143
  325   2HZ   LYS  41          3HZ       LYS  41  -8.721  -3.518  16.428
  326   3HZ   LYS  41          2HZ       LYS  41  -9.333  -4.991  15.867
  327   1HG1  ILE  42          2HG1      ILE  42  -8.670  -4.956   8.830
  328   2HG1  ILE  42          1HG1      ILE  42  -8.206  -6.610   8.443
  329    H    ILE  42           H        ILE  42  -6.867  -6.793  10.790
  330    HA   ILE  42           HA       ILE  42  -9.308  -8.243  11.341
  331    HB   ILE  42           HB       ILE  42 -10.462  -6.546  10.269
  332   1HG2  ILE  42          3HG2      ILE  42  -8.578  -5.837  12.108
  333   2HG2  ILE  42          2HG2      ILE  42  -8.252  -4.705  10.796
  334   3HG2  ILE  42          1HG2      ILE  42  -9.861  -4.783  11.512
  335   1HD1  ILE  42          1HD1      ILE  42 -11.086  -6.091   8.347
  336   2HD1  ILE  42          3HD1      ILE  42 -10.125  -5.207   7.162
  337   3HD1  ILE  42          2HD1      ILE  42 -10.045  -6.968   7.224
  338   1HA   GLY  43          1HA       GLY  43  -8.441 -10.024   7.274
  339   2HA   GLY  43          2HA       GLY  43  -6.709 -10.171   7.532
  340    H    GLY  43           H        GLY  43  -6.873  -8.095   8.872
  341   1HB   PHE  44          2HB       PHE  44  -6.070  -5.207   6.487
  342   2HB   PHE  44          1HB       PHE  44  -4.448  -5.590   5.925
  343    H    PHE  44           H        PHE  44  -5.851  -7.599   7.110
  344    HA   PHE  44           HA       PHE  44  -6.867  -6.713   4.536
  345    HD1  PHE  44           HD1      PHE  44  -6.461  -5.632   3.106
  346    HD2  PHE  44           HD2      PHE  44  -4.715  -2.921   5.882
  347    HE1  PHE  44           HE1      PHE  44  -6.616  -3.829   1.440
  348    HE2  PHE  44           HE2      PHE  44  -4.870  -1.114   4.222
  349    HZ   PHE  44           HZ       PHE  44  -5.825  -1.567   1.998
  350   1HB   HIS  45          2HB       HIS  45  -4.419 -11.078   3.497
  351   2HB   HIS  45          1HB       HIS  45  -5.785 -10.799   2.425
  352    H    HIS  45           H        HIS  45  -6.284  -8.672   3.384
  353    HA   HIS  45           HA       HIS  45  -3.408  -9.014   2.914
  354    HD1  HIS  45           HD1      HIS  45  -5.631 -12.599   0.731
  355    HD2  HIS  45           HD2      HIS  45  -1.942 -10.829   1.454
  356    HE1  HIS  45           HE1      HIS  45  -4.045 -13.649  -0.912
  357    HE2  HIS  45           HE2      HIS  45  -1.802 -12.633  -0.389
  358    H    VAL  46           H        VAL  46  -2.616  -7.919   1.254
  359    HA   VAL  46           HA       VAL  46  -3.959  -8.047  -1.323
  360    HB   VAL  46           HB       VAL  46  -3.184  -5.395  -0.096
  361   1HG1  VAL  46          3HG1      VAL  46  -2.979  -5.947  -2.685
  362   2HG1  VAL  46          2HG1      VAL  46  -4.709  -5.605  -2.633
  363   3HG1  VAL  46          1HG1      VAL  46  -3.552  -4.383  -2.103
  364   1HG2  VAL  46          2HG2      VAL  46  -5.786  -6.801  -0.425
  365   2HG2  VAL  46          1HG2      VAL  46  -5.209  -5.785   0.897
  366   3HG2  VAL  46          3HG2      VAL  46  -5.743  -5.048  -0.614
  367   1HB   CYS  47          2HB       CYS  47  -0.381  -9.180  -4.903
  368   2HB   CYS  47          1HB       CYS  47   0.544 -10.117  -3.734
  369    H    CYS  47           H        CYS  47  -2.465  -8.700  -2.714
  370    HA   CYS  47           HA       CYS  47   0.331  -8.546  -2.134
  371    H    ALA  48           H        ALA  48  -1.716  -6.220  -3.156
  372    HA   ALA  48           HA       ALA  48   0.088  -5.011  -5.106
  373   1HB   ALA  48          3HB       ALA  48  -2.561  -5.077  -5.136
  374   2HB   ALA  48          1HB       ALA  48  -1.655  -3.715  -5.797
  375   3HB   ALA  48          2HB       ALA  48  -2.360  -3.606  -4.184
  376    H    ALA  49           H        ALA  49   1.846  -4.418  -3.857
  377    HA   ALA  49           HA       ALA  49   1.985  -3.302  -1.393
  378   1HB   ALA  49          3HB       ALA  49   4.115  -3.338  -2.023
  379   2HB   ALA  49          2HB       ALA  49   3.666  -3.336  -3.729
  380   3HB   ALA  49          1HB       ALA  49   3.832  -1.811  -2.859
  381   1HA   GLY  50          2HA       GLY  50  -0.150   0.367  -0.432
  382   2HA   GLY  50          1HA       GLY  50   0.271   0.669  -2.110
  383    H    GLY  50           H        GLY  50   1.493  -1.416  -0.418
  384   1HB   TRP  51          2HB       TRP  51   1.736   4.768  -2.661
  385   2HB   TRP  51          1HB       TRP  51   3.147   5.539  -1.942
  386    H    TRP  51           H        TRP  51   1.275   2.546  -2.324
  387    HA   TRP  51           HA       TRP  51   3.723   3.145  -1.100
  388    HD1  TRP  51           HD1      TRP  51   2.098   3.326  -4.823
  389    HE1  TRP  51           HE1      TRP  51   4.130   2.911  -6.361
  390    HE3  TRP  51           HE3      TRP  51   5.771   5.323  -1.877
  391    HZ2  TRP  51           HZ2      TRP  51   6.909   3.385  -6.329
  392    HZ3  TRP  51           HZ3      TRP  51   8.089   5.305  -2.706
  393    HH2  TRP  51           HH2      TRP  51   8.643   4.356  -4.886
  394   1HB   MET  52          2HB       MET  52   3.396   4.307   4.365
  395   2HB   MET  52          1HB       MET  52   2.040   3.544   3.548
  396   1HG   MET  52          2HG       MET  52   3.337   1.942   2.579
  397   2HG   MET  52          1HG       MET  52   4.778   2.957   2.566
  398    H    MET  52           H        MET  52   4.220   3.950   0.828
  399    HA   MET  52           HA       MET  52   2.172   5.455   2.307
  400   1HE   MET  52          3HE       MET  52   4.312   0.018   3.130
  401   2HE   MET  52          2HE       MET  52   5.106  -0.464   4.629
  402   3HE   MET  52          1HE       MET  52   3.356  -0.245   4.589
  403    H    ALA  53           H        ALA  53   3.571   6.099   4.540
  404    HA   ALA  53           HA       ALA  53   5.009   8.334   3.852
  405   1HB   ALA  53          3HB       ALA  53   5.322   8.644   6.071
  406   2HB   ALA  53          2HB       ALA  53   4.148   7.333   6.179
  407   3HB   ALA  53          1HB       ALA  53   5.870   6.988   6.337
  408   1HB   LYS  54          2HB       LYS  54   8.932   6.170   4.905
  409   2HB   LYS  54          1HB       LYS  54  10.470   6.397   4.087
  410   1HG   LYS  54          2HG       LYS  54  10.825   8.481   5.282
  411   2HG   LYS  54          1HG       LYS  54   9.256   8.310   6.070
  412   1HD   LYS  54          2HD       LYS  54  10.673   5.902   6.499
  413   2HD   LYS  54          1HD       LYS  54  11.781   7.231   6.850
  414   1HE   LYS  54          2HE       LYS  54  10.807   7.284   8.860
  415   2HE   LYS  54          1HE       LYS  54   9.461   8.071   8.034
  416    H    LYS  54           H        LYS  54   7.230   8.876   3.882
  417    HA   LYS  54           HA       LYS  54   9.403   8.640   3.274
  418   1HZ   LYS  54          2HZ       LYS  54   8.501   5.832   7.686
  419   2HZ   LYS  54          1HZ       LYS  54   9.731   5.180   8.647
  420   3HZ   LYS  54          3HZ       LYS  54   8.618   6.265   9.317
  421   1HA   GLY  55          1HA       GLY  55   8.737   6.662  -0.584
  422   2HA   GLY  55          2HA       GLY  55   6.987   6.547  -0.495
  423    H    GLY  55           H        GLY  55   7.170   7.544   1.557
  424   1HB   ARG  56          2HB       ARG  56   8.376   3.301   3.718
  425   2HB   ARG  56          1HB       ARG  56   6.665   2.960   3.500
  426   1HG   ARG  56          2HG       ARG  56   7.005   0.662   3.406
  427   2HG   ARG  56          1HG       ARG  56   8.723   0.836   3.044
  428   1HD   ARG  56          2HD       ARG  56   7.325   1.341   5.661
  429   2HD   ARG  56          1HD       ARG  56   8.550   0.124   5.307
  430   1HH1  ARG  56          1HH1      ARG  56   8.102   1.173   7.532
  431   2HH1  ARG  56          2HH1      ARG  56   9.033   2.057   8.693
  432   1HH2  ARG  56          1HH2      ARG  56  11.032   3.652   6.308
  433   2HH2  ARG  56          2HH2      ARG  56  10.699   3.467   7.998
  434    H    ARG  56           H        ARG  56   7.497   4.967   2.109
  435    HA   ARG  56           HA       ARG  56   8.772   2.551   1.370
  436    HE   ARG  56           HE       ARG  56   9.798   2.485   4.787
  437    H    VAL  57           H        VAL  57   7.936   0.599   0.670
  438    HA   VAL  57           HA       VAL  57   5.096   0.541  -0.065
  439    HB   VAL  57           HB       VAL  57   5.415   0.275  -2.271
  440   1HG1  VAL  57          2HG1      VAL  57   7.871   1.595  -1.275
  441   2HG1  VAL  57          1HG1      VAL  57   7.860   1.085  -2.963
  442   3HG1  VAL  57          3HG1      VAL  57   6.622   2.191  -2.368
  443   1HG2  VAL  57          1HG2      VAL  57   7.812  -1.399  -1.555
  444   2HG2  VAL  57          3HG2      VAL  57   6.252  -1.935  -2.183
  445   3HG2  VAL  57          2HG2      VAL  57   7.359  -1.036  -3.221
  446   1HA   GLY  58          2HA       GLY  58   5.030  -3.309   1.914
  447   2HA   GLY  58          1HA       GLY  58   5.558  -3.865   0.334
  448    H    GLY  58           H        GLY  58   4.107  -1.393   0.191
  449   1HB   TYR  59          2HB       TYR  59   1.373  -7.279  -1.021
  450   2HB   TYR  59          1HB       TYR  59   1.661  -5.667  -1.671
  451    H    TYR  59           H        TYR  59   4.170  -5.705   0.830
  452    HA   TYR  59           HA       TYR  59   1.308  -5.141   0.538
  453    HD1  TYR  59           HD1      TYR  59   4.155  -4.905  -1.787
  454    HD2  TYR  59           HD2      TYR  59   2.923  -8.966  -1.414
  455    HE1  TYR  59           HE1      TYR  59   6.334  -5.642  -2.656
  456    HE2  TYR  59           HE2      TYR  59   5.098  -9.709  -2.285
  457    HH   TYR  59           HH       TYR  59   7.728  -7.465  -2.829
  458   1HB   PRO  60          2HB       PRO  60  -1.192  -7.335   4.297
  459   2HB   PRO  60          1HB       PRO  60   0.112  -7.178   5.475
  460   1HG   PRO  60          2HG       PRO  60  -0.998  -5.040   4.272
  461   2HG   PRO  60          1HG       PRO  60   0.713  -5.087   4.730
  462   1HD   PRO  60          2HD       PRO  60  -0.543  -5.421   2.044
  463   2HD   PRO  60          1HD       PRO  60   0.980  -4.624   2.488
  464    HA   PRO  60           HA       PRO  60   1.663  -8.012   4.031
  465   1HG1  ILE  61          2HG1      ILE  61   2.668 -10.263   1.064
  466   2HG1  ILE  61          1HG1      ILE  61   2.738 -11.388  -0.288
  467    H    ILE  61           H        ILE  61   1.826  -9.955   2.937
  468    HA   ILE  61           HA       ILE  61  -0.548 -11.030   1.622
  469    HB   ILE  61           HB       ILE  61   2.068 -12.482   1.841
  470   1HG2  ILE  61          2HG2      ILE  61  -0.404 -12.980   0.596
  471   2HG2  ILE  61          1HG2      ILE  61   0.747 -12.619  -0.692
  472   3HG2  ILE  61          3HG2      ILE  61   1.087 -13.913   0.458
  473   1HD1  ILE  61          2HD1      ILE  61   0.203 -10.489  -0.517
  474   2HD1  ILE  61          1HD1      ILE  61   1.009  -9.067   0.146
  475   3HD1  ILE  61          3HD1      ILE  61   1.592  -9.793  -1.352
  476    H    VAL  62           H        VAL  62  -1.950 -11.695   3.169
  477    HA   VAL  62           HA       VAL  62  -0.982 -13.376   5.354
  478    HB   VAL  62           HB       VAL  62  -3.828 -12.497   4.936
  479   1HG1  VAL  62          1HG1      VAL  62  -2.256 -13.742   7.111
  480   2HG1  VAL  62          3HG1      VAL  62  -3.469 -12.552   7.583
  481   3HG1  VAL  62          2HG1      VAL  62  -3.942 -13.974   6.652
  482   1HG2  VAL  62          2HG2      VAL  62  -2.336 -10.523   4.876
  483   2HG2  VAL  62          1HG2      VAL  62  -3.401 -10.540   6.280
  484   3HG2  VAL  62          3HG2      VAL  62  -1.705 -10.989   6.456
  485   1HB   LYS  63          2HB       LYS  63  -5.155 -14.567   2.301
  486   2HB   LYS  63          1HB       LYS  63  -4.656 -14.983   0.669
  487   1HG   LYS  63          2HG       LYS  63  -6.474 -16.375   1.092
  488   2HG   LYS  63          1HG       LYS  63  -5.070 -17.412   1.358
  489   1HD   LYS  63          2HD       LYS  63  -5.510 -17.649   3.550
  490   2HD   LYS  63          1HD       LYS  63  -5.972 -15.958   3.739
  491   1HE   LYS  63          2HE       LYS  63  -8.090 -16.700   2.393
  492   2HE   LYS  63          1HE       LYS  63  -7.638 -18.308   2.958
  493    H    LYS  63           H        LYS  63  -2.706 -13.580   2.356
  494    HA   LYS  63           HA       LYS  63  -3.323 -16.407   2.917
  495   1HZ   LYS  63          3HZ       LYS  63  -7.489 -16.985   5.233
  496   2HZ   LYS  63          2HZ       LYS  63  -8.653 -16.028   4.463
  497   3HZ   LYS  63          1HZ       LYS  63  -8.931 -17.682   4.684
  498   1HB   PRO  64          2HB       PRO  64   1.304 -18.505   0.669
  499   2HB   PRO  64          1HB       PRO  64   1.646 -16.853   1.187
  500   1HG   PRO  64          2HG       PRO  64  -0.021 -18.949   2.510
  501   2HG   PRO  64          1HG       PRO  64   1.102 -17.787   3.235
  502   1HD   PRO  64          2HD       PRO  64  -1.584 -17.444   3.276
  503   2HD   PRO  64          1HD       PRO  64  -0.447 -16.083   3.208
  504    HA   PRO  64           HA       PRO  64   0.015 -16.305  -0.318
  505   1HA   GLY  65          2HA       GLY  65  -2.107 -19.138  -2.832
  506   2HA   GLY  65          1HA       GLY  65  -0.793 -20.198  -2.345
  507    H    GLY  65           H        GLY  65   0.017 -17.482  -2.168
  508   1HB   PRO  66          2HB       PRO  66  -1.620 -17.165  -7.993
  509   2HB   PRO  66          1HB       PRO  66  -2.387 -18.712  -7.626
  510   1HG   PRO  66          2HG       PRO  66  -2.469 -16.144  -6.089
  511   2HG   PRO  66          1HG       PRO  66  -3.788 -17.270  -6.453
  512   1HD   PRO  66          2HD       PRO  66  -2.498 -17.215  -4.056
  513   2HD   PRO  66          1HD       PRO  66  -3.215 -18.689  -4.736
  514    HA   PRO  66           HA       PRO  66  -0.272 -19.212  -6.860
  515   1HB   ASN  67          2HB       ASN  67   1.619 -13.612  -9.016
  516   2HB   ASN  67          1HB       ASN  67   0.749 -14.978  -9.707
  517   1HD2  ASN  67          1HD2      ASN  67  -1.455 -15.072  -9.556
  518   2HD2  ASN  67          2HD2      ASN  67  -2.420 -13.753  -8.993
  519    H    ASN  67           H        ASN  67  -0.519 -16.310  -8.025
  520    HA   ASN  67           HA       ASN  67   2.188 -15.648  -7.814
  521   1HB   CYS  68          2HB       CYS  68  -1.456 -13.352  -4.579
  522   2HB   CYS  68          1HB       CYS  68  -1.326 -14.456  -3.215
  523    H    CYS  68           H        CYS  68  -0.022 -15.473  -5.441
  524    HA   CYS  68           HA       CYS  68   1.093 -13.016  -4.267
  525   1HA   GLY  69          2HA       GLY  69   2.495 -15.721  -1.105
  526   2HA   GLY  69          1HA       GLY  69   3.182 -14.182  -0.599
  527    H    GLY  69           H        GLY  69   2.661 -13.334  -2.838
  528   1HB   PHE  70          2HB       PHE  70   7.257 -13.235  -0.744
  529   2HB   PHE  70          1HB       PHE  70   8.596 -14.374  -0.649
  530    H    PHE  70           H        PHE  70   5.321 -14.135  -0.546
  531    HA   PHE  70           HA       PHE  70   6.879 -15.345  -2.666
  532    HD1  PHE  70           HD1      PHE  70   6.786 -12.049  -2.847
  533    HD2  PHE  70           HD2      PHE  70  10.201 -14.548  -2.393
  534    HE1  PHE  70           HE1      PHE  70   7.807 -11.008  -4.829
  535    HE2  PHE  70           HE2      PHE  70  11.227 -13.512  -4.374
  536    HZ   PHE  70           HZ       PHE  70  10.030 -11.740  -5.595
  537   1HA   GLY  71          1HA       GLY  71   7.730 -18.388   0.580
  538   2HA   GLY  71          2HA       GLY  71   6.061 -18.924   0.411
  539    H    GLY  71           H        GLY  71   5.522 -16.483   0.099
  540   1HB   LYS  72          2HB       LYS  72   7.982 -14.863   3.720
  541   2HB   LYS  72          1HB       LYS  72   7.198 -14.714   5.287
  542   1HG   LYS  72          2HG       LYS  72   9.192 -15.520   5.982
  543   2HG   LYS  72          1HG       LYS  72   8.389 -17.060   5.666
  544   1HD   LYS  72          2HD       LYS  72  10.266 -17.457   4.464
  545   2HD   LYS  72          1HD       LYS  72   9.386 -16.563   3.224
  546   1HE   LYS  72          2HE       LYS  72  11.113 -15.163   3.148
  547   2HE   LYS  72          1HE       LYS  72  10.619 -14.596   4.743
  548    H    LYS  72           H        LYS  72   6.920 -15.966   2.058
  549    HA   LYS  72           HA       LYS  72   6.519 -17.256   4.660
  550   1HZ   LYS  72          2HZ       LYS  72  12.439 -16.901   4.334
  551   2HZ   LYS  72          1HZ       LYS  72  12.989 -15.316   4.551
  552   3HZ   LYS  72          3HZ       LYS  72  12.116 -16.086   5.780
  553    H    THR  73           H        THR  73   5.307 -15.929   6.303
  554    HA   THR  73           HA       THR  73   2.915 -14.761   5.038
  555    HB   THR  73           HB       THR  73   1.722 -15.383   7.147
  556    HG1  THR  73           HG1      THR  73   4.133 -15.804   8.050
  557   1HG2  THR  73          1HG2      THR  73   2.886 -17.339   5.241
  558   2HG2  THR  73          3HG2      THR  73   2.060 -17.981   6.661
  559   3HG2  THR  73          2HG2      THR  73   1.200 -16.921   5.545
  560   1HA   GLY  74          2HA       GLY  74   4.139 -11.304   7.460
  561   2HA   GLY  74          1HA       GLY  74   2.401 -11.058   7.344
  562    H    GLY  74           H        GLY  74   2.683 -12.644   5.291
  563   1HG1  ILE  75          1HG1      ILE  75   2.098  -5.561   5.393
  564   2HG1  ILE  75          2HG1      ILE  75   1.808  -6.682   6.720
  565    H    ILE  75           H        ILE  75   3.532  -8.789   7.224
  566    HA   ILE  75           HA       ILE  75   3.003  -7.731   4.692
  567    HB   ILE  75           HB       ILE  75   4.285  -6.671   7.159
  568   1HG2  ILE  75          3HG2      ILE  75   4.573  -5.457   4.433
  569   2HG2  ILE  75          2HG2      ILE  75   4.571  -4.462   5.889
  570   3HG2  ILE  75          1HG2      ILE  75   5.804  -5.704   5.671
  571   1HD1  ILE  75          3HD1      ILE  75   3.140  -4.839   8.072
  572   2HD1  ILE  75          2HD1      ILE  75   2.520  -3.812   6.779
  573   3HD1  ILE  75          1HD1      ILE  75   1.403  -4.730   7.789
  574   1HG1  ILE  76          1HG1      ILE  76   5.330 -10.246   2.531
  575   2HG1  ILE  76          2HG1      ILE  76   4.182 -10.068   1.208
  576    H    ILE  76           H        ILE  76   4.145  -7.653   2.880
  577    HA   ILE  76           HA       ILE  76   6.946  -8.495   2.944
  578    HB   ILE  76           HB       ILE  76   5.119  -8.135   0.567
  579   1HG2  ILE  76          3HG2      ILE  76   7.566  -7.922   0.137
  580   2HG2  ILE  76          2HG2      ILE  76   7.760  -9.573   0.727
  581   3HG2  ILE  76          1HG2      ILE  76   6.791  -9.258  -0.714
  582   1HD1  ILE  76          1HD1      ILE  76   6.935 -11.255   0.972
  583   2HD1  ILE  76          3HD1      ILE  76   5.427 -12.162   1.081
  584   3HD1  ILE  76          2HD1      ILE  76   5.735 -11.127  -0.314
  585   1HB   ASP  77          2HB       ASP  77   6.952  -4.094   4.194
  586   2HB   ASP  77          1HB       ASP  77   8.664  -3.842   4.522
  587    H    ASP  77           H        ASP  77   7.908  -6.575   3.659
  588    HA   ASP  77           HA       ASP  77   7.859  -4.372   1.703
  589   1HB   TYR  78          2HB       TYR  78  11.159  -4.593  -0.897
  590   2HB   TYR  78          1HB       TYR  78  12.867  -4.240  -0.657
  591    H    TYR  78           H        TYR  78   9.725  -3.981   0.721
  592    HA   TYR  78           HA       TYR  78  12.162  -5.197   1.804
  593    HD1  TYR  78           HD1      TYR  78  14.426  -6.058  -0.009
  594    HD2  TYR  78           HD2      TYR  78  10.365  -6.840  -1.012
  595    HE1  TYR  78           HE1      TYR  78  14.966  -8.438  -0.317
  596    HE2  TYR  78           HE2      TYR  78  10.895  -9.221  -1.323
  597    HH   TYR  78           HH       TYR  78  12.516 -10.841  -0.731
  598   1HA   GLY  79          2HA       GLY  79  13.256  -1.097   2.966
  599   2HA   GLY  79          1HA       GLY  79  11.639  -0.566   3.426
  600    H    GLY  79           H        GLY  79  10.821  -2.549   2.576
  601   1HG1  ILE  80          2HG1      ILE  80  12.691   3.276   3.321
  602   2HG1  ILE  80          1HG1      ILE  80  12.451   4.949   2.825
  603    H    ILE  80           H        ILE  80  12.767   1.502   2.624
  604    HA   ILE  80           HA       ILE  80  11.553   2.353   0.283
  605    HB   ILE  80           HB       ILE  80  14.055   3.593   1.399
  606   1HG2  ILE  80          2HG2      ILE  80  12.146   4.325  -0.612
  607   2HG2  ILE  80          1HG2      ILE  80  12.141   5.516   0.689
  608   3HG2  ILE  80          3HG2      ILE  80  13.644   5.131  -0.148
  609   1HD1  ILE  80          1HD1      ILE  80  10.477   3.519   1.490
  610   2HD1  ILE  80          3HD1      ILE  80  10.535   2.831   3.113
  611   3HD1  ILE  80          2HD1      ILE  80  10.278   4.563   2.899
  612   1HB   ARG  81          2HB       ARG  81  12.439   2.243  -4.360
  613   2HB   ARG  81          1HB       ARG  81  13.665   1.067  -4.812
  614   1HG   ARG  81          2HG       ARG  81  12.068   0.221  -2.531
  615   2HG   ARG  81          1HG       ARG  81  11.112   0.502  -3.987
  616   1HD   ARG  81          2HD       ARG  81  13.628  -1.139  -4.012
  617   2HD   ARG  81          1HD       ARG  81  12.051  -1.840  -3.650
  618   1HH1  ARG  81          1HH1      ARG  81  12.449  -3.448  -4.587
  619   2HH1  ARG  81          2HH1      ARG  81  12.159  -4.331  -6.049
  620   1HH2  ARG  81          2HH2      ARG  81  11.814  -1.478  -8.042
  621   2HH2  ARG  81          1HH2      ARG  81  11.798  -3.209  -8.014
  622    H    ARG  81           H        ARG  81  12.277   2.713  -1.809
  623    HA   ARG  81           HA       ARG  81  14.610   1.115  -2.588
  624    HE   ARG  81           HE       ARG  81  12.199  -0.328  -6.113
  625   1HB   LEU  82          2HB       LEU  82  17.044   4.294  -2.636
  626   2HB   LEU  82          1HB       LEU  82  16.872   4.962  -4.237
  627    H    LEU  82           H        LEU  82  13.968   4.209  -1.822
  628    HA   LEU  82           HA       LEU  82  15.223   6.107  -2.040
  629    HG   LEU  82           HG       LEU  82  18.438   6.424  -3.641
  630   1HD1  LEU  82          2HD1      LEU  82  16.233   7.480  -1.876
  631   2HD1  LEU  82          1HD1      LEU  82  17.705   8.360  -2.281
  632   3HD1  LEU  82          3HD1      LEU  82  16.557   7.932  -3.549
  633   1HD2  LEU  82          3HD2      LEU  82  18.846   4.888  -1.709
  634   2HD2  LEU  82          2HD2      LEU  82  19.339   6.565  -1.464
  635   3HD2  LEU  82          1HD2      LEU  82  17.843   5.965  -0.740
  636   1HB   ASN  83          2HB       ASN  83  13.178   5.349  -8.210
  637   2HB   ASN  83          1HB       ASN  83  14.839   5.665  -7.726
  638   1HD2  ASN  83          1HD2      ASN  83  12.257   3.358  -7.802
  639   2HD2  ASN  83          2HD2      ASN  83  13.198   1.979  -7.359
  640    H    ASN  83           H        ASN  83  14.049   4.410  -4.850
  641    HA   ASN  83           HA       ASN  83  13.637   6.973  -6.225
  642   1HB   ARG  84          2HB       ARG  84   8.227   8.067  -4.646
  643   2HB   ARG  84          1HB       ARG  84   9.710   8.059  -3.700
  644   1HG   ARG  84          2HG       ARG  84  10.812   9.462  -5.287
  645   2HG   ARG  84          1HG       ARG  84   9.465   9.326  -6.418
  646   1HD   ARG  84          2HD       ARG  84   8.010  10.478  -4.823
  647   2HD   ARG  84          1HD       ARG  84   9.357  10.614  -3.694
  648   1HH1  ARG  84          1HH1      ARG  84   8.368  12.329  -3.191
  649   2HH1  ARG  84          2HH1      ARG  84   8.520  14.052  -3.287
  650   1HH2  ARG  84          1HH2      ARG  84  10.148  14.031  -6.378
  651   2HH2  ARG  84          2HH2      ARG  84   9.531  15.019  -5.097
  652    H    ARG  84           H        ARG  84  11.718   7.629  -5.339
  653    HA   ARG  84           HA       ARG  84   9.503   5.947  -4.851
  654    HE   ARG  84           HE       ARG  84   9.947  11.762  -6.245
  655   1HB   SER  85          2HB       SER  85  11.208   5.951 -10.025
  656   2HB   SER  85          1HB       SER  85   9.931   6.318 -11.183
  657    H    SER  85           H        SER  85  10.744   6.036  -7.650
  658    HA   SER  85           HA       SER  85   8.422   6.823  -9.236
  659    HG   SER  85           HG       SER  85  11.575   8.024 -10.264
  660   1HB   GLU  86          2HB       GLU  86   7.657   1.836  -6.572
  661   2HB   GLU  86          1HB       GLU  86   8.720   0.721  -7.420
  662   1HG   GLU  86          2HG       GLU  86  10.633   1.869  -6.809
  663   2HG   GLU  86          1HG       GLU  86   9.748   3.354  -6.461
  664    H    GLU  86           H        GLU  86   9.049   4.231  -7.493
  665    HA   GLU  86           HA       GLU  86   8.885   2.058  -9.278
  666   1HB   ARG  87          2HB       ARG  87   4.036   0.577 -11.779
  667   2HB   ARG  87          1HB       ARG  87   5.626   1.260 -12.084
  668   1HG   ARG  87          2HG       ARG  87   5.883  -1.128 -10.526
  669   2HG   ARG  87          1HG       ARG  87   4.916  -1.441 -11.969
  670   1HD   ARG  87          2HD       ARG  87   6.658  -0.535 -13.379
  671   2HD   ARG  87          1HD       ARG  87   7.609  -0.085 -11.965
  672   1HH1  ARG  87          1HH1      ARG  87   9.147  -0.419 -11.469
  673   2HH1  ARG  87          2HH1      ARG  87  10.457  -1.515 -11.185
  674   1HH2  ARG  87          1HH2      ARG  87   8.730  -4.330 -12.332
  675   2HH2  ARG  87          2HH2      ARG  87  10.221  -3.741 -11.677
  676    H    ARG  87           H        ARG  87   7.124   0.731  -9.827
  677    HA   ARG  87           HA       ARG  87   4.604   2.183 -10.046
  678    HE   ARG  87           HE       ARG  87   7.011  -2.878 -12.699
  679   1HB   TRP  88          2HB       TRP  88   4.056   1.301  -5.493
  680   2HB   TRP  88          1HB       TRP  88   3.034   0.016  -4.863
  681    H    TRP  88           H        TRP  88   3.882   1.891  -7.905
  682    HA   TRP  88           HA       TRP  88   2.984  -0.850  -7.300
  683    HD1  TRP  88           HD1      TRP  88   6.495   0.803  -5.060
  684    HE1  TRP  88           HE1      TRP  88   7.988  -1.295  -5.003
  685    HE3  TRP  88           HE3      TRP  88   2.962  -2.725  -6.133
  686    HZ2  TRP  88           HZ2      TRP  88   7.696  -4.083  -5.361
  687    HZ3  TRP  88           HZ3      TRP  88   3.648  -5.085  -6.258
  688    HH2  TRP  88           HH2      TRP  88   5.968  -5.748  -5.881
  689   1HB   ASP  89          2HB       ASP  89  -0.735  -1.186  -4.636
  690   2HB   ASP  89          1HB       ASP  89  -2.128  -0.113  -4.520
  691    H    ASP  89           H        ASP  89   1.314  -0.368  -5.225
  692    HA   ASP  89           HA       ASP  89  -0.853   1.133  -6.509
  693    H    ALA  90           H        ALA  90  -2.159   1.049  -3.718
  694    HA   ALA  90           HA       ALA  90  -0.597   2.844  -2.128
  695   1HB   ALA  90          3HB       ALA  90  -1.151   4.583  -3.536
  696   2HB   ALA  90          1HB       ALA  90  -2.428   4.674  -2.320
  697   3HB   ALA  90          2HB       ALA  90  -2.753   3.929  -3.885
  698   1HB   TYR  91          2HB       TYR  91  -1.036   1.440   1.900
  699   2HB   TYR  91          1HB       TYR  91  -2.470   1.146   2.878
  700    H    TYR  91           H        TYR  91  -1.141   2.529  -0.079
  701    HA   TYR  91           HA       TYR  91  -3.660   1.173   0.506
  702    HD1  TYR  91           HD1      TYR  91  -4.052  -0.754   1.616
  703    HD2  TYR  91           HD2      TYR  91   0.189  -0.462   1.494
  704    HE1  TYR  91           HE1      TYR  91  -3.911  -3.157   1.113
  705    HE2  TYR  91           HE2      TYR  91   0.347  -2.862   0.989
  706    HH   TYR  91           HH       TYR  91  -1.053  -4.638   0.030
  707   1HB   CYS  92          2HB       CYS  92  -6.906   4.097   0.203
  708   2HB   CYS  92          1HB       CYS  92  -7.268   5.487   1.219
  709    H    CYS  92           H        CYS  92  -4.871   3.165   0.090
  710    HA   CYS  92           HA       CYS  92  -4.631   5.539   1.485
  711   1HB   TYR  93          2HB       TYR  93  -4.755   4.082   5.702
  712   2HB   TYR  93          1HB       TYR  93  -4.390   5.796   5.860
  713    H    TYR  93           H        TYR  93  -5.747   6.383   3.314
  714    HA   TYR  93           HA       TYR  93  -7.066   4.578   5.134
  715    HD1  TYR  93           HD1      TYR  93  -6.382   6.929   7.533
  716    HD2  TYR  93           HD2      TYR  93  -4.724   3.016   7.732
  717    HE1  TYR  93           HE1      TYR  93  -6.958   6.813   9.920
  718    HE2  TYR  93           HE2      TYR  93  -5.295   2.887  10.115
  719    HH   TYR  93           HH       TYR  93  -6.944   3.952  11.677
  720   1HB   ASN  94          2HB       ASN  94  -9.510   7.819   4.379
  721   2HB   ASN  94          1HB       ASN  94 -10.800   8.316   5.473
  722   1HD2  ASN  94          2HD2      ASN  94 -11.204  10.240   4.491
  723   2HD2  ASN  94          1HD2      ASN  94 -10.096  11.566   4.500
  724    H    ASN  94           H        ASN  94  -8.668   5.675   6.022
  725    HA   ASN  94           HA       ASN  94  -8.288   8.431   6.857
  726   1HB   PRO  95          2HB       PRO  95 -11.193   9.089  11.460
  727   2HB   PRO  95          1HB       PRO  95  -9.693   8.162  11.580
  728   1HG   PRO  95          2HG       PRO  95 -10.315  10.561   9.903
  729   2HG   PRO  95          1HG       PRO  95  -8.845  10.187  10.821
  730   1HD   PRO  95          2HD       PRO  95  -9.002   9.846   8.149
  731   2HD   PRO  95          1HD       PRO  95  -8.030   8.780   9.184
  732    HA   PRO  95           HA       PRO  95 -10.759   6.734  10.139
  733   1HB   HIS  96          2HB       HIS  96 -13.085  10.927   7.795
  734   2HB   HIS  96          1HB       HIS  96 -14.587  10.723   6.901
  735    H    HIS  96           H        HIS  96 -11.749   8.775   7.668
  736    HA   HIS  96           HA       HIS  96 -14.560   8.485   8.480
  737    HD1  HIS  96           HD1      HIS  96 -16.439   9.592   9.001
  738    HD2  HIS  96           HD2      HIS  96 -13.740  12.655   9.776
  739    HE1  HIS  96           HE1      HIS  96 -17.347  10.795  11.014
  740    HE2  HIS  96           HE2      HIS  96 -15.656  12.594  11.513
  741    H    ALA  97           H        ALA  97 -12.518   7.157   6.576
  742    HA   ALA  97           HA       ALA  97 -13.704   7.576   3.975
  743   1HB   ALA  97          3HB       ALA  97 -11.480   5.881   5.032
  744   2HB   ALA  97          1HB       ALA  97 -11.444   7.129   3.786
  745   3HB   ALA  97          2HB       ALA  97 -12.158   5.555   3.438
  746   1HB   LYS  98          2HB       LYS  98 -15.770   4.395   7.123
  747   2HB   LYS  98          1HB       LYS  98 -17.383   5.080   7.264
  748   1HG   LYS  98          2HG       LYS  98 -18.174   3.022   7.435
  749   2HG   LYS  98          1HG       LYS  98 -17.693   2.746   5.759
  750   1HD   LYS  98          2HD       LYS  98 -15.641   2.481   7.904
  751   2HD   LYS  98          1HD       LYS  98 -16.825   1.188   7.696
  752   1HE   LYS  98          2HE       LYS  98 -15.681   0.390   5.971
  753   2HE   LYS  98          1HE       LYS  98 -15.846   1.932   5.131
  754    H    LYS  98           H        LYS  98 -15.757   6.881   5.514
  755    HA   LYS  98           HA       LYS  98 -16.389   4.170   4.590
  756   1HZ   LYS  98          1HZ       LYS  98 -13.878   2.712   6.386
  757   2HZ   LYS  98          3HZ       LYS  98 -13.685   1.149   7.008
  758   3HZ   LYS  98          2HZ       LYS  98 -13.541   1.421   5.345

  No H/Q in entry =         758
  Start of MODEL    7
    1   1HA   GLY   1          2HA       GLY   1 -10.885   3.399   7.693
    2   2HA   GLY   1          1HA       GLY   1  -9.815   2.274   8.516
    3    H1   GLY   1          3H        GLY   1  -9.431   5.217   8.490
    4    H2   GLY   1          2H        GLY   1 -10.189   4.365   9.739
    5    H3   GLY   1          1H        GLY   1  -8.557   4.087   9.397
    6    H    VAL   2           H        VAL   2  -7.911   1.690   7.581
    7    HA   VAL   2           HA       VAL   2  -6.970   3.117   5.225
    8    HB   VAL   2           HB       VAL   2  -5.184   2.584   6.625
    9   1HG1  VAL   2          2HG1      VAL   2  -6.826   0.381   7.396
   10   2HG1  VAL   2          1HG1      VAL   2  -5.212  -0.208   6.997
   11   3HG1  VAL   2          3HG1      VAL   2  -5.414   1.055   8.212
   12   1HG2  VAL   2          2HG2      VAL   2  -5.261   1.532   4.105
   13   2HG2  VAL   2          1HG2      VAL   2  -3.823   1.637   5.120
   14   3HG2  VAL   2          3HG2      VAL   2  -4.762   0.144   5.072
   15   1HB   TYR   3          2HB       TYR   3  -9.456   0.746   0.756
   16   2HB   TYR   3          1HB       TYR   3 -10.139   0.788   2.375
   17    H    TYR   3           H        TYR   3  -7.257   2.454   3.197
   18    HA   TYR   3           HA       TYR   3  -8.133  -0.313   2.735
   19    HD1  TYR   3           HD1      TYR   3  -8.984   3.038   3.689
   20    HD2  TYR   3           HD2      TYR   3 -10.008   2.636  -0.420
   21    HE1  TYR   3           HE1      TYR   3  -9.243   5.477   3.521
   22    HE2  TYR   3           HE2      TYR   3 -10.262   5.073  -0.601
   23    HH   TYR   3           HH       TYR   3 -10.153   7.146   2.208
   24   1HB   HIS   4          2HB       HIS   4  -4.682  -2.203  -0.804
   25   2HB   HIS   4          1HB       HIS   4  -6.220  -2.646  -0.075
   26    H    HIS   4           H        HIS   4  -7.747  -1.085   0.535
   27    HA   HIS   4           HA       HIS   4  -5.196  -0.058  -0.451
   28    HD1  HIS   4           HD1      HIS   4  -8.137  -3.328  -1.668
   29    HD2  HIS   4           HD2      HIS   4  -4.579  -2.389  -3.599
   30    HE1  HIS   4           HE1      HIS   4  -8.418  -4.144  -4.029
   31    HE2  HIS   4           HE2      HIS   4  -6.223  -3.635  -5.158
   32   1HB   ARG   5          2HB       ARG   5  -5.647   3.060  -3.378
   33   2HB   ARG   5          1HB       ARG   5  -6.522   3.075  -4.902
   34   1HG   ARG   5          2HG       ARG   5  -7.884   2.239  -2.374
   35   2HG   ARG   5          1HG       ARG   5  -7.686   3.946  -2.777
   36   1HD   ARG   5          2HD       ARG   5  -8.727   3.366  -5.028
   37   2HD   ARG   5          1HD       ARG   5  -9.188   1.831  -4.293
   38   1HH1  ARG   5          1HH1      ARG   5 -10.213   1.031  -3.090
   39   2HH1  ARG   5          2HH1      ARG   5 -11.705   1.025  -2.211
   40   1HH2  ARG   5          2HH2      ARG   5 -12.197   4.477  -2.451
   41   2HH2  ARG   5          1HH2      ARG   5 -12.833   2.984  -1.849
   42    H    ARG   5           H        ARG   5  -4.852   0.582  -2.559
   43    HA   ARG   5           HA       ARG   5  -7.134   0.640  -4.382
   44    HE   ARG   5           HE       ARG   5 -10.230   4.475  -3.608
   45   1HB   GLU   6          2HB       GLU   6  -6.057  -0.829  -8.082
   46   2HB   GLU   6          1HB       GLU   6  -5.846   0.403  -9.317
   47   1HG   GLU   6          2HG       GLU   6  -4.447  -0.944 -10.363
   48   2HG   GLU   6          1HG       GLU   6  -3.341  -0.815  -8.996
   49    H    GLU   6           H        GLU   6  -6.545   1.108  -6.591
   50    HA   GLU   6           HA       GLU   6  -3.795   0.262  -7.171
   51    H    ALA   7           H        ALA   7  -3.607   1.080  -9.782
   52    HA   ALA   7           HA       ALA   7  -3.385   3.994  -9.458
   53   1HB   ALA   7          3HB       ALA   7  -1.501   3.975 -10.819
   54   2HB   ALA   7          2HB       ALA   7  -1.334   2.488  -9.884
   55   3HB   ALA   7          1HB       ALA   7  -1.922   2.423 -11.546
   56   1HB   ARG   8          2HB       ARG   8  -4.501   6.990 -13.296
   57   2HB   ARG   8          1HB       ARG   8  -6.242   6.852 -13.489
   58   1HG   ARG   8          2HG       ARG   8  -6.041   6.547 -10.823
   59   2HG   ARG   8          1HG       ARG   8  -4.649   7.588 -11.129
   60   1HD   ARG   8          2HD       ARG   8  -7.535   8.121 -11.795
   61   2HD   ARG   8          1HD       ARG   8  -6.506   9.003 -10.669
   62   1HH1  ARG   8          2HH1      ARG   8  -8.375  10.055 -11.789
   63   2HH1  ARG   8          1HH1      ARG   8  -8.603  11.409 -12.845
   64   1HH2  ARG   8          1HH2      ARG   8  -5.558  10.989 -14.511
   65   2HH2  ARG   8          2HH2      ARG   8  -7.002  11.938 -14.394
   66    H    ARG   8           H        ARG   8  -3.916   5.377 -11.200
   67    HA   ARG   8           HA       ARG   8  -6.272   4.658 -12.590
   68    HE   ARG   8           HE       ARG   8  -5.268   9.210 -13.114
   69   1HB   SER   9          2HB       SER   9  -1.246   4.403 -14.514
   70   2HB   SER   9          1HB       SER   9  -0.871   3.001 -15.518
   71    H    SER   9           H        SER   9  -3.104   3.876 -13.209
   72    HA   SER   9           HA       SER   9  -3.539   3.699 -16.112
   73    HG   SER   9           HG       SER   9  -1.678   5.583 -16.303
   74   1HA   GLY  10          2HA       GLY  10  -2.550  -0.608 -14.702
   75   2HA   GLY  10          1HA       GLY  10  -4.059  -0.481 -13.808
   76    H    GLY  10           H        GLY  10  -2.979   1.864 -13.211
   77   1HB   LYS  11          2HB       LYS  11  -3.161  -4.110 -11.017
   78   2HB   LYS  11          1HB       LYS  11  -1.654  -4.461 -11.854
   79   1HG   LYS  11          2HG       LYS  11  -0.502  -4.322  -9.626
   80   2HG   LYS  11          1HG       LYS  11  -2.105  -4.251  -8.890
   81   1HD   LYS  11          2HD       LYS  11  -1.643  -6.431 -10.832
   82   2HD   LYS  11          1HD       LYS  11  -0.773  -6.545  -9.301
   83   1HE   LYS  11          2HE       LYS  11  -3.718  -5.984  -9.388
   84   2HE   LYS  11          1HE       LYS  11  -3.096  -7.632  -9.467
   85    H    LYS  11           H        LYS  11  -2.952  -2.488 -12.873
   86    HA   LYS  11           HA       LYS  11  -2.210  -1.968 -10.234
   87   1HZ   LYS  11          3HZ       LYS  11  -2.021  -5.980  -7.336
   88   2HZ   LYS  11          2HZ       LYS  11  -3.659  -6.377  -7.192
   89   3HZ   LYS  11          1HZ       LYS  11  -2.501  -7.603  -7.314
   90   1HB   TYR  12          2HB       TYR  12   2.212  -3.278 -10.920
   91   2HB   TYR  12          1HB       TYR  12   3.526  -2.540 -10.011
   92    H    TYR  12           H        TYR  12  -0.331  -1.536  -9.254
   93    HA   TYR  12           HA       TYR  12   1.863  -0.998  -8.962
   94    HD1  TYR  12           HD1      TYR  12   1.111  -2.320  -7.680
   95    HD2  TYR  12           HD2      TYR  12   3.254  -5.349  -9.766
   96    HE1  TYR  12           HE1      TYR  12   0.714  -3.875  -5.821
   97    HE2  TYR  12           HE2      TYR  12   2.856  -6.914  -7.912
   98    HH   TYR  12           HH       TYR  12   2.376  -6.598  -5.311
   99   1HB   LYS  13          2HB       LYS  13   0.115   1.545 -12.753
  100   2HB   LYS  13          1HB       LYS  13   1.172   2.609 -13.671
  101   1HG   LYS  13          2HG       LYS  13   2.366   0.726 -14.573
  102   2HG   LYS  13          1HG       LYS  13   1.449  -0.386 -13.556
  103   1HD   LYS  13          2HD       LYS  13  -0.629   0.503 -14.714
  104   2HD   LYS  13          1HD       LYS  13   0.466   1.256 -15.875
  105   1HE   LYS  13          2HE       LYS  13   0.587  -1.675 -15.226
  106   2HE   LYS  13          1HE       LYS  13  -0.480  -1.036 -16.476
  107    H    LYS  13           H        LYS  13   1.142   1.011 -10.196
  108    HA   LYS  13           HA       LYS  13   3.078   1.484 -12.301
  109   1HZ   LYS  13          3HZ       LYS  13   2.011   0.068 -16.944
  110   2HZ   LYS  13          2HZ       LYS  13   2.296  -1.566 -16.611
  111   3HZ   LYS  13          1HZ       LYS  13   1.234  -1.130 -17.853
  112   1HB   LEU  14          2HB       LEU  14   0.393   5.727  -8.260
  113   2HB   LEU  14          1HB       LEU  14  -0.405   4.542  -9.264
  114    H    LEU  14           H        LEU  14   1.446   2.486  -9.596
  115    HA   LEU  14           HA       LEU  14   1.715   5.333 -10.215
  116    HG   LEU  14           HG       LEU  14   0.945   2.908  -7.597
  117   1HD1  LEU  14          2HD1      LEU  14   0.803   5.539  -6.302
  118   2HD1  LEU  14          1HD1      LEU  14   0.236   4.185  -5.325
  119   3HD1  LEU  14          3HD1      LEU  14   1.870   4.170  -5.988
  120   1HD2  LEU  14          3HD2      LEU  14  -1.663   3.506  -8.137
  121   2HD2  LEU  14          2HD2      LEU  14  -1.117   2.264  -7.008
  122   3HD2  LEU  14          1HD2      LEU  14  -1.552   3.868  -6.415
  123    H    THR  15           H        THR  15   2.558   6.710  -8.383
  124    HA   THR  15           HA       THR  15   4.910   5.402  -7.173
  125    HB   THR  15           HB       THR  15   6.193   7.358  -7.478
  126    HG1  THR  15           HG1      THR  15   4.714   8.950  -6.914
  127   1HG2  THR  15          1HG2      THR  15   4.686   6.339  -9.766
  128   2HG2  THR  15          3HG2      THR  15   5.336   7.959 -10.019
  129   3HG2  THR  15          2HG2      THR  15   6.417   6.633  -9.591
  130   1HB   TYR  16          2HB       TYR  16   6.387   7.594  -3.112
  131   2HB   TYR  16          1HB       TYR  16   6.365   9.195  -3.841
  132    H    TYR  16           H        TYR  16   5.656   7.762  -5.712
  133    HA   TYR  16           HA       TYR  16   3.964   7.404  -3.406
  134    HD1  TYR  16           HD1      TYR  16   5.139   7.253  -0.929
  135    HD2  TYR  16           HD2      TYR  16   5.963  11.106  -2.533
  136    HE1  TYR  16           HE1      TYR  16   4.755   8.250   1.285
  137    HE2  TYR  16           HE2      TYR  16   5.585  12.115  -0.323
  138    HH   TYR  16           HH       TYR  16   5.665  10.584   2.436
  139    H    ALA  17           H        ALA  17   5.002  10.206  -5.343
  140    HA   ALA  17           HA       ALA  17   3.233  12.059  -4.206
  141   1HB   ALA  17          2HB       ALA  17   4.299  12.077  -7.028
  142   2HB   ALA  17          3HB       ALA  17   5.198  12.633  -5.616
  143   3HB   ALA  17          1HB       ALA  17   3.720  13.463  -6.103
  144   1HB   GLU  18          2HB       GLU  18   1.841   8.065  -8.013
  145   2HB   GLU  18          1HB       GLU  18   0.213   8.260  -8.651
  146   1HG   GLU  18          2HG       GLU  18   0.873   9.835 -10.212
  147   2HG   GLU  18          1HG       GLU  18   2.340  10.245  -9.323
  148    H    GLU  18           H        GLU  18   2.845   9.665  -6.717
  149    HA   GLU  18           HA       GLU  18   0.336  10.652  -7.684
  150    H    ALA  19           H        ALA  19   1.224   7.768  -5.807
  151    HA   ALA  19           HA       ALA  19  -1.252   6.836  -5.118
  152   1HB   ALA  19          1HB       ALA  19   0.126   5.383  -4.148
  153   2HB   ALA  19          2HB       ALA  19   0.260   6.512  -2.800
  154   3HB   ALA  19          3HB       ALA  19   1.436   6.565  -4.114
  155   1HB   LYS  20          2HB       LYS  20   1.197  10.764  -1.738
  156   2HB   LYS  20          1HB       LYS  20   0.491  12.003  -2.767
  157   1HG   LYS  20          2HG       LYS  20  -0.449  13.114  -1.024
  158   2HG   LYS  20          1HG       LYS  20  -0.673  11.650  -0.066
  159   1HD   LYS  20          2HD       LYS  20   1.378  11.792   0.876
  160   2HD   LYS  20          1HD       LYS  20   2.123  12.429  -0.591
  161   1HE   LYS  20          2HE       LYS  20   2.245  14.251   0.807
  162   2HE   LYS  20          1HE       LYS  20   0.729  14.561  -0.037
  163    H    LYS  20           H        LYS  20   0.547   9.465  -3.610
  164    HA   LYS  20           HA       LYS  20  -1.156   9.868  -1.422
  165   1HZ   LYS  20          3HZ       LYS  20   0.049  13.031   2.142
  166   2HZ   LYS  20          2HZ       LYS  20   1.184  14.135   2.736
  167   3HZ   LYS  20          1HZ       LYS  20  -0.208  14.693   1.953
  168    H    ALA  21           H        ALA  21  -0.967  11.542  -4.554
  169    HA   ALA  21           HA       ALA  21  -3.144  13.273  -4.091
  170   1HB   ALA  21          1HB       ALA  21  -3.102  13.698  -6.481
  171   2HB   ALA  21          2HB       ALA  21  -2.101  12.269  -6.740
  172   3HB   ALA  21          3HB       ALA  21  -1.459  13.646  -5.843
  173    H    VAL  22           H        VAL  22  -2.960  10.100  -5.673
  174    HA   VAL  22           HA       VAL  22  -5.566   9.898  -6.592
  175    HB   VAL  22           HB       VAL  22  -3.438   7.984  -5.859
  176   1HG1  VAL  22          3HG1      VAL  22  -6.317   7.126  -6.070
  177   2HG1  VAL  22          2HG1      VAL  22  -4.927   6.041  -6.084
  178   3HG1  VAL  22          1HG1      VAL  22  -5.282   7.002  -4.648
  179   1HG2  VAL  22          2HG2      VAL  22  -3.700   8.855  -8.124
  180   2HG2  VAL  22          1HG2      VAL  22  -3.938   7.108  -8.081
  181   3HG2  VAL  22          3HG2      VAL  22  -5.329   8.184  -8.200
  182   1HB   CYS  23          2HB       CYS  23  -3.923   8.935  -1.326
  183   2HB   CYS  23          1HB       CYS  23  -5.198   9.086  -0.123
  184    H    CYS  23           H        CYS  23  -4.219   9.278  -3.406
  185    HA   CYS  23           HA       CYS  23  -6.638   8.261  -2.273
  186   1HB   GLU  24          2HB       GLU  24  -4.275  13.226  -1.388
  187   2HB   GLU  24          1HB       GLU  24  -5.403  14.537  -1.701
  188   1HG   GLU  24          2HG       GLU  24  -5.602  13.642   1.028
  189   2HG   GLU  24          1HG       GLU  24  -3.942  14.070   0.623
  190    H    GLU  24           H        GLU  24  -4.844  11.283  -1.726
  191    HA   GLU  24           HA       GLU  24  -6.794  12.569  -0.207
  192   1HB   PHE  25          2HB       PHE  25  -7.016  12.864  -5.898
  193   2HB   PHE  25          1HB       PHE  25  -7.928  11.368  -5.722
  194    H    PHE  25           H        PHE  25  -6.913  11.739  -3.460
  195    HA   PHE  25           HA       PHE  25  -8.548  13.973  -4.309
  196    HD1  PHE  25           HD1      PHE  25  -8.229  14.898  -6.820
  197    HD2  PHE  25           HD2      PHE  25  -9.787  10.944  -7.058
  198    HE1  PHE  25           HE1      PHE  25  -9.728  15.602  -8.638
  199    HE2  PHE  25           HE2      PHE  25 -11.288  11.642  -8.878
  200    HZ   PHE  25           HZ       PHE  25 -11.260  13.973  -9.671
  201   1HB   GLU  26          2HB       GLU  26  -9.869   8.649  -2.799
  202   2HB   GLU  26          1HB       GLU  26 -11.595   8.404  -2.596
  203   1HG   GLU  26          2HG       GLU  26 -11.372   9.184  -5.228
  204   2HG   GLU  26          1HG       GLU  26  -9.948   8.174  -4.971
  205    H    GLU  26           H        GLU  26  -8.954  10.692  -3.190
  206    HA   GLU  26           HA       GLU  26 -11.816  10.733  -3.730
  207   1HA   GLY  27          1HA       GLY  27 -11.977  11.796   0.606
  208   2HA   GLY  27          2HA       GLY  27 -10.636  12.931   0.581
  209    H    GLY  27           H        GLY  27  -9.794  11.825  -1.357
  210   1HA   GLY  28          2HA       GLY  28  -8.184   9.349   2.153
  211   2HA   GLY  28          1HA       GLY  28  -8.335  10.607   3.373
  212    H    GLY  28           H        GLY  28  -8.434  11.812   0.837
  213   1HB   HIS  29          2HB       HIS  29  -3.048  10.438   4.386
  214   2HB   HIS  29          1HB       HIS  29  -3.349  11.862   3.395
  215    H    HIS  29           H        HIS  29  -6.061   9.084   3.215
  216    HA   HIS  29           HA       HIS  29  -4.056  10.554   1.726
  217    HD1  HIS  29           HD1      HIS  29  -5.217   9.593   5.799
  218    HD2  HIS  29           HD2      HIS  29  -5.317  13.482   4.336
  219    HE1  HIS  29           HE1      HIS  29  -7.004  10.765   7.126
  220    HE2  HIS  29           HE2      HIS  29  -7.028  13.125   6.242
  221   1HB   LEU  30          2HB       LEU  30   0.269   8.751   2.114
  222   2HB   LEU  30          1HB       LEU  30   0.588   7.031   2.050
  223    H    LEU  30           H        LEU  30  -1.862   9.584   2.037
  224    HA   LEU  30           HA       LEU  30  -1.970   6.789   1.734
  225    HG   LEU  30           HG       LEU  30  -0.593   8.743  -0.133
  226   1HD1  LEU  30          1HD1      LEU  30   2.019   8.325   0.520
  227   2HD1  LEU  30          3HD1      LEU  30   1.730   7.041  -0.654
  228   3HD1  LEU  30          2HD1      LEU  30   1.430   8.723  -1.094
  229   1HD2  LEU  30          2HD2      LEU  30  -0.970   5.951   0.382
  230   2HD2  LEU  30          1HD2      LEU  30  -1.608   6.940  -0.931
  231   3HD2  LEU  30          3HD2      LEU  30  -0.031   6.167  -1.095
  232    H    ALA  31           H        ALA  31  -2.174   5.266   3.235
  233    HA   ALA  31           HA       ALA  31  -2.210   5.768   5.989
  234   1HB   ALA  31          3HB       ALA  31  -2.241   3.334   4.302
  235   2HB   ALA  31          2HB       ALA  31  -1.854   3.143   6.012
  236   3HB   ALA  31          1HB       ALA  31  -3.383   3.880   5.531
  237    H    THR  32           H        THR  32  -0.785   3.761   7.195
  238    HA   THR  32           HA       THR  32   2.030   4.309   6.574
  239    HB   THR  32           HB       THR  32   2.532   5.268   8.537
  240    HG1  THR  32           HG1      THR  32   2.345   3.674   9.975
  241   1HG2  THR  32          3HG2      THR  32  -0.127   5.934   7.843
  242   2HG2  THR  32          2HG2      THR  32  -0.054   5.829   9.601
  243   3HG2  THR  32          1HG2      THR  32   1.042   6.907   8.736
  244   1HB   TYR  33          2HB       TYR  33   5.199   1.265   7.623
  245   2HB   TYR  33          1HB       TYR  33   4.887   1.021   9.335
  246    H    TYR  33           H        TYR  33   3.524   2.809   7.649
  247    HA   TYR  33           HA       TYR  33   2.912   0.153   7.234
  248    HD1  TYR  33           HD1      TYR  33   5.320  -0.751   6.109
  249    HD2  TYR  33           HD2      TYR  33   5.243  -1.078  10.351
  250    HE1  TYR  33           HE1      TYR  33   6.208  -3.038   5.942
  251    HE2  TYR  33           HE2      TYR  33   6.131  -3.366  10.196
  252    HH   TYR  33           HH       TYR  33   6.262  -5.093   7.270
  253   1HB   LYS  34          2HB       LYS  34   2.712   2.487  12.302
  254   2HB   LYS  34          1HB       LYS  34   1.054   2.259  12.833
  255   1HG   LYS  34          2HG       LYS  34   2.585   0.190  13.989
  256   2HG   LYS  34          1HG       LYS  34   3.472   1.697  14.219
  257   1HD   LYS  34          2HD       LYS  34   2.123   2.119  15.940
  258   2HD   LYS  34          1HD       LYS  34   0.824   2.349  14.768
  259   1HE   LYS  34          2HE       LYS  34   1.281  -0.455  15.300
  260   2HE   LYS  34          1HE       LYS  34   0.944   0.435  16.785
  261    H    LYS  34           H        LYS  34   3.050   1.833  10.367
  262    HA   LYS  34           HA       LYS  34   2.252  -0.250  12.001
  263   1HZ   LYS  34          2HZ       LYS  34  -0.998   1.413  15.468
  264   2HZ   LYS  34          1HZ       LYS  34  -0.760   0.126  14.396
  265   3HZ   LYS  34          3HZ       LYS  34  -1.138  -0.181  16.016
  266   1HB   GLN  35          2HB       GLN  35  -1.610   2.528   8.609
  267   2HB   GLN  35          1HB       GLN  35  -3.201   2.418   9.343
  268   1HG   GLN  35          2HG       GLN  35  -2.399   3.774  11.233
  269   2HG   GLN  35          1HG       GLN  35  -0.842   3.935  10.424
  270   1HE2  GLN  35          1HE2      GLN  35  -3.002   5.875  11.205
  271   2HE2  GLN  35          2HE2      GLN  35  -3.314   6.773   9.762
  272    H    GLN  35           H        GLN  35   0.219   2.148  10.340
  273    HA   GLN  35           HA       GLN  35  -2.252   1.225  11.262
  274   1HB   LEU  36          2HB       LEU  36   0.754  -0.953   7.165
  275   2HB   LEU  36          1HB       LEU  36   0.481  -2.680   7.055
  276    H    LEU  36           H        LEU  36  -0.183   0.142   8.651
  277    HA   LEU  36           HA       LEU  36  -2.067  -1.516   7.343
  278    HG   LEU  36           HG       LEU  36   0.532  -1.749   4.837
  279   1HD1  LEU  36          3HD1      LEU  36  -1.429  -3.372   5.767
  280   2HD1  LEU  36          2HD1      LEU  36  -2.377  -2.082   5.030
  281   3HD1  LEU  36          1HD1      LEU  36  -1.191  -2.965   4.069
  282   1HD2  LEU  36          1HD2      LEU  36  -0.728   0.456   6.048
  283   2HD2  LEU  36          3HD2      LEU  36  -0.202   0.290   4.373
  284   3HD2  LEU  36          2HD2      LEU  36  -1.845  -0.162   4.830
  285   1HB   GLU  37          2HB       GLU  37   1.483  -3.355  11.564
  286   2HB   GLU  37          1HB       GLU  37   0.185  -2.673  12.528
  287   1HG   GLU  37          2HG       GLU  37  -0.314  -5.144  13.131
  288   2HG   GLU  37          1HG       GLU  37   1.345  -5.417  12.596
  289    H    GLU  37           H        GLU  37   0.016  -1.942  10.108
  290    HA   GLU  37           HA       GLU  37  -0.167  -4.747  10.356
  291    H    ALA  38           H        ALA  38  -1.863  -2.176  12.110
  292    HA   ALA  38           HA       ALA  38  -3.659  -3.726  13.534
  293   1HB   ALA  38          2HB       ALA  38  -3.318  -1.288  13.831
  294   2HB   ALA  38          3HB       ALA  38  -5.019  -1.745  13.748
  295   3HB   ALA  38          1HB       ALA  38  -4.234  -1.012  12.349
  296    H    ALA  39           H        ALA  39  -3.673  -2.773  10.193
  297    HA   ALA  39           HA       ALA  39  -6.384  -3.523   9.650
  298   1HB   ALA  39          3HB       ALA  39  -4.101  -3.204   7.708
  299   2HB   ALA  39          1HB       ALA  39  -5.113  -1.882   8.288
  300   3HB   ALA  39          2HB       ALA  39  -5.824  -3.182   7.331
  301   1HB   ARG  40          2HB       ARG  40  -1.767  -6.697   8.341
  302   2HB   ARG  40          1HB       ARG  40  -1.752  -7.077  10.058
  303   1HG   ARG  40          2HG       ARG  40  -2.596  -9.431   9.058
  304   2HG   ARG  40          1HG       ARG  40  -1.601  -8.856   7.719
  305   1HD   ARG  40          2HD       ARG  40  -0.131 -10.083   9.070
  306   2HD   ARG  40          1HD       ARG  40   0.196  -8.397   9.465
  307   1HH1  ARG  40          1HH1      ARG  40  -0.142 -11.591   9.771
  308   2HH1  ARG  40          2HH1      ARG  40  -0.270 -12.625  11.154
  309   1HH2  ARG  40          1HH2      ARG  40  -1.236 -10.071  13.337
  310   2HH2  ARG  40          2HH2      ARG  40  -0.891 -11.762  13.180
  311    H    ARG  40           H        ARG  40  -3.291  -5.106   9.677
  312    HA   ARG  40           HA       ARG  40  -4.133  -7.435   8.228
  313    HE   ARG  40           HE       ARG  40  -1.066  -8.718  11.509
  314   1HB   LYS  41          2HB       LYS  41  -5.424  -6.284  13.652
  315   2HB   LYS  41          1HB       LYS  41  -5.248  -7.669  14.721
  316   1HG   LYS  41          2HG       LYS  41  -2.717  -7.453  14.069
  317   2HG   LYS  41          1HG       LYS  41  -3.184  -5.792  13.691
  318   1HD   LYS  41          2HD       LYS  41  -3.243  -5.244  15.848
  319   2HD   LYS  41          1HD       LYS  41  -4.284  -6.619  16.226
  320   1HE   LYS  41          2HE       LYS  41  -2.406  -8.064  16.490
  321   2HE   LYS  41          1HE       LYS  41  -1.305  -6.842  15.857
  322    H    LYS  41           H        LYS  41  -3.899  -6.505  11.606
  323    HA   LYS  41           HA       LYS  41  -4.181  -8.926  12.875
  324   1HZ   LYS  41          2HZ       LYS  41  -2.221  -5.477  17.862
  325   2HZ   LYS  41          1HZ       LYS  41  -2.584  -7.004  18.492
  326   3HZ   LYS  41          3HZ       LYS  41  -0.988  -6.610  18.094
  327   1HG1  ILE  42          1HG1      ILE  42  -8.213  -5.575   9.658
  328   2HG1  ILE  42          2HG1      ILE  42  -8.110  -7.185   8.953
  329    H    ILE  42           H        ILE  42  -6.522  -7.184  11.011
  330    HA   ILE  42           HA       ILE  42  -8.723  -8.829  11.999
  331    HB   ILE  42           HB       ILE  42 -10.199  -7.427  10.748
  332   1HG2  ILE  42          1HG2      ILE  42  -9.192  -6.558  12.881
  333   2HG2  ILE  42          3HG2      ILE  42  -8.099  -5.595  11.887
  334   3HG2  ILE  42          2HG2      ILE  42  -9.839  -5.327  11.797
  335   1HD1  ILE  42          3HD1      ILE  42 -10.840  -6.231   9.128
  336   2HD1  ILE  42          2HD1      ILE  42  -9.803  -5.168   8.174
  337   3HD1  ILE  42          1HD1      ILE  42  -9.947  -6.874   7.750
  338   1HA   GLY  43          1HA       GLY  43  -8.125 -10.632   7.865
  339   2HA   GLY  43          2HA       GLY  43  -6.370 -10.515   7.918
  340    H    GLY  43           H        GLY  43  -6.728  -8.369   9.158
  341   1HB   PHE  44          2HB       PHE  44  -7.132  -5.468   6.484
  342   2HB   PHE  44          1HB       PHE  44  -5.383  -5.619   6.377
  343    H    PHE  44           H        PHE  44  -6.054  -7.813   7.387
  344    HA   PHE  44           HA       PHE  44  -7.380  -7.299   4.845
  345    HD1  PHE  44           HD1      PHE  44  -7.730  -5.849   3.541
  346    HD2  PHE  44           HD2      PHE  44  -4.868  -3.462   5.591
  347    HE1  PHE  44           HE1      PHE  44  -7.712  -4.263   1.658
  348    HE2  PHE  44           HE2      PHE  44  -4.844  -1.870   3.713
  349    HZ   PHE  44           HZ       PHE  44  -6.268  -2.270   1.745
  350   1HB   HIS  45          2HB       HIS  45  -3.501 -10.936   3.547
  351   2HB   HIS  45          1HB       HIS  45  -5.250 -11.053   3.418
  352    H    HIS  45           H        HIS  45  -6.363  -9.104   3.751
  353    HA   HIS  45           HA       HIS  45  -3.513  -8.721   3.169
  354    HD1  HIS  45           HD1      HIS  45  -6.173 -12.072   1.325
  355    HD2  HIS  45           HD2      HIS  45  -2.140 -11.136   0.996
  356    HE1  HIS  45           HE1      HIS  45  -5.423 -13.079  -0.852
  357    HE2  HIS  45           HE2      HIS  45  -3.005 -12.412  -1.078
  358    H    VAL  46           H        VAL  46  -2.793  -8.206   1.194
  359    HA   VAL  46           HA       VAL  46  -4.396  -8.523  -1.171
  360    HB   VAL  46           HB       VAL  46  -5.422  -6.527  -1.007
  361   1HG1  VAL  46          2HG1      VAL  46  -3.731  -6.286   1.273
  362   2HG1  VAL  46          1HG1      VAL  46  -3.749  -4.746   0.414
  363   3HG1  VAL  46          3HG1      VAL  46  -5.264  -5.479   0.942
  364   1HG2  VAL  46          3HG2      VAL  46  -3.780  -6.170  -2.802
  365   2HG2  VAL  46          2HG2      VAL  46  -4.204  -4.669  -1.980
  366   3HG2  VAL  46          1HG2      VAL  46  -2.669  -5.463  -1.629
  367   1HB   CYS  47          2HB       CYS  47  -1.059  -9.449  -5.141
  368   2HB   CYS  47          1HB       CYS  47  -0.094 -10.285  -3.928
  369    H    CYS  47           H        CYS  47  -3.103  -8.816  -2.889
  370    HA   CYS  47           HA       CYS  47  -0.244  -8.576  -2.496
  371    H    ALA  48           H        ALA  48  -0.882  -6.108  -2.438
  372    HA   ALA  48           HA       ALA  48   0.154  -5.020  -4.905
  373   1HB   ALA  48          2HB       ALA  48  -2.456  -5.123  -4.988
  374   2HB   ALA  48          3HB       ALA  48  -1.602  -3.683  -5.544
  375   3HB   ALA  48          1HB       ALA  48  -2.345  -3.706  -3.944
  376    H    ALA  49           H        ALA  49   1.919  -4.398  -3.689
  377    HA   ALA  49           HA       ALA  49   2.136  -3.273  -1.252
  378   1HB   ALA  49          2HB       ALA  49   4.237  -3.158  -1.940
  379   2HB   ALA  49          1HB       ALA  49   3.722  -3.306  -3.620
  380   3HB   ALA  49          3HB       ALA  49   3.836  -1.714  -2.870
  381   1HA   GLY  50          2HA       GLY  50  -0.128   0.289  -0.205
  382   2HA   GLY  50          1HA       GLY  50   0.346   0.688  -1.850
  383    H    GLY  50           H        GLY  50   1.614  -1.430  -0.228
  384   1HB   TRP  51          2HB       TRP  51   1.859   4.786  -2.192
  385   2HB   TRP  51          1HB       TRP  51   3.249   5.521  -1.397
  386    H    TRP  51           H        TRP  51   1.462   2.504  -2.015
  387    HA   TRP  51           HA       TRP  51   3.800   3.102  -0.634
  388    HD1  TRP  51           HD1      TRP  51   2.290   3.398  -4.387
  389    HE1  TRP  51           HE1      TRP  51   4.362   3.076  -5.894
  390    HE3  TRP  51           HE3      TRP  51   5.861   5.348  -1.289
  391    HZ2  TRP  51           HZ2      TRP  51   7.134   3.588  -5.779
  392    HZ3  TRP  51           HZ3      TRP  51   8.197   5.396  -2.063
  393    HH2  TRP  51           HH2      TRP  51   8.818   4.534  -4.261
  394   1HB   MET  52          2HB       MET  52   2.726   3.846   4.858
  395   2HB   MET  52          1HB       MET  52   1.529   3.305   3.691
  396   1HG   MET  52          2HG       MET  52   3.786   2.216   2.663
  397   2HG   MET  52          1HG       MET  52   4.138   2.171   4.390
  398    H    MET  52           H        MET  52   4.153   3.671   1.395
  399    HA   MET  52           HA       MET  52   2.195   5.338   2.795
  400   1HE   MET  52          2HE       MET  52   4.500  -0.178   3.945
  401   2HE   MET  52          1HE       MET  52   3.258  -1.386   4.274
  402   3HE   MET  52          3HE       MET  52   3.568  -0.869   2.617
  403    H    ALA  53           H        ALA  53   3.185   5.947   5.049
  404    HA   ALA  53           HA       ALA  53   4.737   7.315   6.033
  405   1HB   ALA  53          3HB       ALA  53   6.917   5.479   5.224
  406   2HB   ALA  53          2HB       ALA  53   6.521   6.144   6.810
  407   3HB   ALA  53          1HB       ALA  53   5.583   4.800   6.157
  408   1HB   LYS  54          2HB       LYS  54   9.428   8.239   5.149
  409   2HB   LYS  54          1HB       LYS  54   9.982   8.529   3.507
  410   1HG   LYS  54          2HG       LYS  54   9.718  10.953   3.877
  411   2HG   LYS  54          1HG       LYS  54   9.261  10.620   5.548
  412   1HD   LYS  54          2HD       LYS  54  11.430   9.598   5.960
  413   2HD   LYS  54          1HD       LYS  54  11.890   9.864   4.277
  414   1HE   LYS  54          2HE       LYS  54  11.018  12.344   5.304
  415   2HE   LYS  54          1HE       LYS  54  12.104  11.641   6.502
  416    H    LYS  54           H        LYS  54   7.409   7.785   5.549
  417    HA   LYS  54           HA       LYS  54   7.497   9.888   3.859
  418   1HZ   LYS  54          1HZ       LYS  54  12.943  11.568   3.704
  419   2HZ   LYS  54          3HZ       LYS  54  12.994  13.063   4.495
  420   3HZ   LYS  54          2HZ       LYS  54  13.871  11.753   5.106
  421   1HA   GLY  55          1HA       GLY  55   8.504   7.021   0.237
  422   2HA   GLY  55          2HA       GLY  55   6.788   6.701   0.428
  423    H    GLY  55           H        GLY  55   7.840   6.503   2.950
  424   1HB   ARG  56          2HB       ARG  56   8.366   3.231   4.062
  425   2HB   ARG  56          1HB       ARG  56   6.785   2.489   3.856
  426   1HG   ARG  56          2HG       ARG  56   7.788   0.383   3.284
  427   2HG   ARG  56          1HG       ARG  56   9.398   1.103   3.294
  428   1HD   ARG  56          2HD       ARG  56   7.723   1.317   5.745
  429   2HD   ARG  56          1HD       ARG  56   8.482  -0.230   5.374
  430   1HH1  ARG  56          2HH1      ARG  56   9.599  -1.146   6.169
  431   2HH1  ARG  56          1HH1      ARG  56  11.115  -1.340   6.985
  432   1HH2  ARG  56          1HH2      ARG  56  11.994   2.039   6.763
  433   2HH2  ARG  56          2HH2      ARG  56  12.477   0.473   7.324
  434    H    ARG  56           H        ARG  56   7.105   4.831   2.607
  435    HA   ARG  56           HA       ARG  56   8.763   2.686   1.591
  436    HE   ARG  56           HE       ARG  56   9.997   2.281   5.689
  437    H    VAL  57           H        VAL  57   7.997   0.655   0.891
  438    HA   VAL  57           HA       VAL  57   5.152   0.582   0.138
  439    HB   VAL  57           HB       VAL  57   5.542   0.215  -2.044
  440   1HG1  VAL  57          1HG1      VAL  57   7.329   2.044  -1.055
  441   2HG1  VAL  57          3HG1      VAL  57   8.353   0.990  -2.029
  442   3HG1  VAL  57          2HG1      VAL  57   6.959   1.787  -2.760
  443   1HG2  VAL  57          1HG2      VAL  57   7.913  -1.407  -1.163
  444   2HG2  VAL  57          3HG2      VAL  57   6.408  -1.964  -1.895
  445   3HG2  VAL  57          2HG2      VAL  57   7.581  -1.071  -2.863
  446   1HA   GLY  58          2HA       GLY  58   4.984  -3.316   1.994
  447   2HA   GLY  58          1HA       GLY  58   5.526  -3.886   0.426
  448    H    GLY  58           H        GLY  58   4.165  -1.429   0.112
  449   1HB   TYR  59          2HB       TYR  59   1.081  -6.819  -1.274
  450   2HB   TYR  59          1HB       TYR  59   1.677  -5.212  -1.679
  451    H    TYR  59           H        TYR  59   4.119  -5.686   0.755
  452    HA   TYR  59           HA       TYR  59   1.258  -5.113   0.634
  453    HD1  TYR  59           HD1      TYR  59   4.244  -4.909  -1.805
  454    HD2  TYR  59           HD2      TYR  59   2.320  -8.713  -1.858
  455    HE1  TYR  59           HE1      TYR  59   6.249  -5.906  -2.814
  456    HE2  TYR  59           HE2      TYR  59   4.325  -9.713  -2.865
  457    HH   TYR  59           HH       TYR  59   7.309  -7.961  -3.161
  458   1HB   PRO  60          2HB       PRO  60  -0.744  -8.307   4.539
  459   2HB   PRO  60          1HB       PRO  60   0.639  -7.397   5.150
  460   1HG   PRO  60          2HG       PRO  60  -1.505  -6.550   3.256
  461   2HG   PRO  60          1HG       PRO  60  -0.713  -5.625   4.544
  462   1HD   PRO  60          1HD       PRO  60  -0.088  -5.306   1.934
  463   2HD   PRO  60          2HD       PRO  60   1.108  -5.113   3.230
  464    HA   PRO  60           HA       PRO  60   1.819  -8.538   3.562
  465   1HG1  ILE  61          2HG1      ILE  61   2.508 -10.395   0.370
  466   2HG1  ILE  61          1HG1      ILE  61   2.397 -11.324  -1.122
  467    H    ILE  61           H        ILE  61   1.748 -10.475   2.597
  468    HA   ILE  61           HA       ILE  61  -0.656 -11.196   1.069
  469    HB   ILE  61           HB       ILE  61   1.971 -12.659   0.969
  470   1HG2  ILE  61          3HG2      ILE  61  -0.562 -13.142  -0.122
  471   2HG2  ILE  61          2HG2      ILE  61   0.433 -12.562  -1.459
  472   3HG2  ILE  61          1HG2      ILE  61   0.950 -13.961  -0.517
  473   1HD1  ILE  61          2HD1      ILE  61  -0.126 -10.420  -0.944
  474   2HD1  ILE  61          1HD1      ILE  61   0.738  -9.108  -0.145
  475   3HD1  ILE  61          3HD1      ILE  61   1.168  -9.573  -1.791
  476    H    VAL  62           H        VAL  62  -1.983 -11.956   2.674
  477    HA   VAL  62           HA       VAL  62  -1.044 -13.972   4.533
  478    HB   VAL  62           HB       VAL  62  -3.719 -12.647   4.121
  479   1HG1  VAL  62          1HG1      VAL  62  -3.198 -15.204   5.299
  480   2HG1  VAL  62          3HG1      VAL  62  -3.750 -14.077   6.538
  481   3HG1  VAL  62          2HG1      VAL  62  -4.733 -14.358   5.101
  482   1HG2  VAL  62          1HG2      VAL  62  -1.419 -11.990   5.615
  483   2HG2  VAL  62          3HG2      VAL  62  -2.986 -11.180   5.613
  484   3HG2  VAL  62          2HG2      VAL  62  -2.665 -12.475   6.766
  485   1HB   LYS  63          2HB       LYS  63  -5.324 -14.950   1.640
  486   2HB   LYS  63          1HB       LYS  63  -5.053 -15.064  -0.093
  487   1HG   LYS  63          2HG       LYS  63  -5.069 -17.642   0.392
  488   2HG   LYS  63          1HG       LYS  63  -5.972 -17.143   1.824
  489   1HD   LYS  63          2HD       LYS  63  -7.727 -16.281   0.573
  490   2HD   LYS  63          1HD       LYS  63  -6.741 -16.114  -0.879
  491   1HE   LYS  63          2HE       LYS  63  -8.251 -17.930  -1.222
  492   2HE   LYS  63          1HE       LYS  63  -6.635 -18.599  -1.010
  493    H    LYS  63           H        LYS  63  -2.989 -13.744   1.621
  494    HA   LYS  63           HA       LYS  63  -3.257 -16.680   1.623
  495   1HZ   LYS  63          2HZ       LYS  63  -7.224 -19.031   1.335
  496   2HZ   LYS  63          1HZ       LYS  63  -8.805 -18.524   1.013
  497   3HZ   LYS  63          3HZ       LYS  63  -8.181 -19.895   0.240
  498   1HB   PRO  64          2HB       PRO  64   0.499 -18.398  -1.919
  499   2HB   PRO  64          1HB       PRO  64   1.240 -17.147  -0.919
  500   1HG   PRO  64          2HG       PRO  64  -0.720 -19.266  -0.165
  501   2HG   PRO  64          1HG       PRO  64   0.666 -18.644   0.745
  502   1HD   PRO  64          2HD       PRO  64  -1.863 -17.917   1.318
  503   2HD   PRO  64          1HD       PRO  64  -0.497 -16.796   1.500
  504    HA   PRO  64           HA       PRO  64  -0.342 -15.771  -1.804
  505   1HA   GLY  65          2HA       GLY  65  -2.759 -17.533  -4.948
  506   2HA   GLY  65          1HA       GLY  65  -1.476 -18.711  -5.187
  507    H    GLY  65           H        GLY  65  -0.138 -16.745  -3.968
  508   1HB   PRO  66          2HB       PRO  66  -2.993 -17.095 -10.044
  509   2HB   PRO  66          1HB       PRO  66  -1.486 -17.720 -10.720
  510   1HG   PRO  66          2HG       PRO  66  -3.238 -19.355  -9.551
  511   2HG   PRO  66          1HG       PRO  66  -1.493 -19.590  -9.347
  512   1HD   PRO  66          1HD       PRO  66  -3.489 -18.453  -7.442
  513   2HD   PRO  66          2HD       PRO  66  -2.067 -19.464  -7.117
  514    HA   PRO  66           HA       PRO  66  -0.216 -16.907  -8.985
  515   1HB   ASN  67          2HB       ASN  67  -3.286 -13.981 -10.879
  516   2HB   ASN  67          1HB       ASN  67  -3.531 -12.704  -9.693
  517   1HD2  ASN  67          2HD2      ASN  67  -5.006 -12.044 -11.477
  518   2HD2  ASN  67          1HD2      ASN  67  -4.360 -10.990 -12.681
  519    H    ASN  67           H        ASN  67  -0.618 -15.085 -10.528
  520    HA   ASN  67           HA       ASN  67  -0.806 -12.824 -10.774
  521   1HB   CYS  68          2HB       CYS  68  -1.037 -13.865  -5.755
  522   2HB   CYS  68          1HB       CYS  68  -0.389 -12.684  -4.623
  523    H    CYS  68           H        CYS  68   0.271 -13.654  -8.259
  524    HA   CYS  68           HA       CYS  68  -0.118 -11.204  -6.776
  525   1HA   GLY  69          2HA       GLY  69   3.904 -13.201  -6.068
  526   2HA   GLY  69          1HA       GLY  69   3.697 -14.769  -6.838
  527    H    GLY  69           H        GLY  69   1.325 -14.455  -6.726
  528   1HB   PHE  70          2HB       PHE  70   5.301 -18.334  -4.280
  529   2HB   PHE  70          1HB       PHE  70   4.370 -18.775  -2.853
  530    H    PHE  70           H        PHE  70   4.271 -16.384  -5.556
  531    HA   PHE  70           HA       PHE  70   3.204 -16.640  -2.910
  532    HD1  PHE  70           HD1      PHE  70   1.843 -18.974  -3.103
  533    HD2  PHE  70           HD2      PHE  70   4.517 -18.835  -6.410
  534    HE1  PHE  70           HE1      PHE  70   0.115 -19.980  -4.537
  535    HE2  PHE  70           HE2      PHE  70   2.794 -19.840  -7.850
  536    HZ   PHE  70           HZ       PHE  70   0.590 -20.414  -6.915
  537   1HA   GLY  71          1HA       GLY  71   6.095 -13.648  -1.149
  538   2HA   GLY  71          2HA       GLY  71   6.922 -15.199  -1.073
  539    H    GLY  71           H        GLY  71   4.028 -14.999  -1.637
  540   1HB   LYS  72          2HB       LYS  72   7.453 -15.829   2.752
  541   2HB   LYS  72          1HB       LYS  72   6.377 -14.885   3.777
  542   1HG   LYS  72          2HG       LYS  72   7.463 -16.332   5.248
  543   2HG   LYS  72          1HG       LYS  72   5.889 -17.086   4.981
  544   1HD   LYS  72          2HD       LYS  72   6.889 -18.581   3.320
  545   2HD   LYS  72          1HD       LYS  72   8.461 -17.826   3.587
  546   1HE   LYS  72          2HE       LYS  72   8.059 -18.475   6.069
  547   2HE   LYS  72          1HE       LYS  72   6.883 -19.605   5.399
  548    H    LYS  72           H        LYS  72   5.952 -16.772   0.523
  549    HA   LYS  72           HA       LYS  72   5.218 -17.339   2.613
  550   1HZ   LYS  72          1HZ       LYS  72   8.879 -20.228   3.864
  551   2HZ   LYS  72          3HZ       LYS  72   9.804 -19.583   5.126
  552   3HZ   LYS  72          2HZ       LYS  72   8.760 -20.882   5.419
  553    H    THR  73           H        THR  73   4.526 -15.938   4.849
  554    HA   THR  73           HA       THR  73   2.136 -14.451   3.969
  555    HB   THR  73           HB       THR  73   1.154 -15.214   6.201
  556    HG1  THR  73           HG1      THR  73   2.394 -17.486   6.469
  557   1HG2  THR  73          1HG2      THR  73   0.749 -16.176   3.820
  558   2HG2  THR  73          3HG2      THR  73   1.692 -17.549   4.401
  559   3HG2  THR  73          2HG2      THR  73   0.199 -17.092   5.222
  560   1HA   GLY  74          2HA       GLY  74   3.958 -11.469   6.640
  561   2HA   GLY  74          1HA       GLY  74   2.253 -11.042   6.725
  562    H    GLY  74           H        GLY  74   2.212 -12.363   4.461
  563   1HG1  ILE  75          1HG1      ILE  75   1.961  -5.542   5.275
  564   2HG1  ILE  75          2HG1      ILE  75   1.737  -6.664   6.613
  565    H    ILE  75           H        ILE  75   3.379  -8.855   6.762
  566    HA   ILE  75           HA       ILE  75   2.884  -7.522   4.355
  567    HB   ILE  75           HB       ILE  75   4.188  -6.760   6.921
  568   1HG2  ILE  75          3HG2      ILE  75   4.465  -5.247   4.344
  569   2HG2  ILE  75          2HG2      ILE  75   4.516  -4.436   5.910
  570   3HG2  ILE  75          1HG2      ILE  75   5.713  -5.670   5.515
  571   1HD1  ILE  75          1HD1      ILE  75   3.160  -4.795   7.870
  572   2HD1  ILE  75          3HD1      ILE  75   2.399  -3.792   6.635
  573   3HD1  ILE  75          2HD1      ILE  75   1.402  -4.743   7.737
  574   1HG1  ILE  76          1HG1      ILE  76   5.120  -9.974   1.918
  575   2HG1  ILE  76          2HG1      ILE  76   3.997  -9.623   0.609
  576    H    ILE  76           H        ILE  76   4.003  -7.478   2.539
  577    HA   ILE  76           HA       ILE  76   6.786  -8.336   2.527
  578    HB   ILE  76           HB       ILE  76   4.985  -7.653   0.202
  579   1HG2  ILE  76          1HG2      ILE  76   7.753  -8.791   0.395
  580   2HG2  ILE  76          3HG2      ILE  76   6.734  -9.074  -1.016
  581   3HG2  ILE  76          2HG2      ILE  76   7.179  -7.428  -0.566
  582   1HD1  ILE  76          3HD1      ILE  76   6.739 -10.769   0.187
  583   2HD1  ILE  76          2HD1      ILE  76   5.276 -11.739   0.356
  584   3HD1  ILE  76          1HD1      ILE  76   5.439 -10.618  -0.995
  585   1HB   ASP  77          2HB       ASP  77   6.909  -4.056   4.283
  586   2HB   ASP  77          1HB       ASP  77   8.627  -4.006   4.660
  587    H    ASP  77           H        ASP  77   7.747  -6.507   3.497
  588    HA   ASP  77           HA       ASP  77   7.785  -4.104   1.793
  589   1HB   TYR  78          2HB       TYR  78  10.960  -4.493  -1.052
  590   2HB   TYR  78          1HB       TYR  78  12.696  -4.298  -0.831
  591    H    TYR  78           H        TYR  78   9.566  -4.176   0.577
  592    HA   TYR  78           HA       TYR  78  11.997  -5.407   1.554
  593    HD1  TYR  78           HD1      TYR  78  10.016  -6.863  -0.396
  594    HD2  TYR  78           HD2      TYR  78  14.086  -6.073  -1.348
  595    HE1  TYR  78           HE1      TYR  78  10.345  -9.239  -0.933
  596    HE2  TYR  78           HE2      TYR  78  14.427  -8.448  -1.889
  597    HH   TYR  78           HH       TYR  78  13.507 -10.559  -1.573
  598   1HA   GLY  79          2HA       GLY  79  13.205  -1.336   2.835
  599   2HA   GLY  79          1HA       GLY  79  11.611  -0.725   3.272
  600    H    GLY  79           H        GLY  79  10.656  -2.551   2.188
  601   1HG1  ILE  80          1HG1      ILE  80  11.722   2.940   2.975
  602   2HG1  ILE  80          2HG1      ILE  80  12.671   4.390   3.283
  603    H    ILE  80           H        ILE  80  12.525   1.367   2.641
  604    HA   ILE  80           HA       ILE  80  11.562   2.338   0.270
  605    HB   ILE  80           HB       ILE  80  13.997   3.429   1.679
  606   1HG2  ILE  80          1HG2      ILE  80  11.972   4.659  -0.179
  607   2HG2  ILE  80          3HG2      ILE  80  13.084   5.607   0.811
  608   3HG2  ILE  80          2HG2      ILE  80  13.713   4.508  -0.416
  609   1HD1  ILE  80          3HD1      ILE  80  10.484   4.413   1.251
  610   2HD1  ILE  80          2HD1      ILE  80  10.133   4.603   2.969
  611   3HD1  ILE  80          1HD1      ILE  80  11.188   5.756   2.152
  612   1HB   ARG  81          2HB       ARG  81  12.876   2.594  -4.425
  613   2HB   ARG  81          1HB       ARG  81  13.890   1.186  -4.715
  614   1HG   ARG  81          2HG       ARG  81  11.767   0.945  -2.662
  615   2HG   ARG  81          1HG       ARG  81  11.274   1.001  -4.355
  616   1HD   ARG  81          2HD       ARG  81  11.552  -1.284  -3.848
  617   2HD   ARG  81          1HD       ARG  81  12.982  -0.821  -4.771
  618   1HH1  ARG  81          2HH1      ARG  81  14.331  -1.789  -4.950
  619   2HH1  ARG  81          1HH1      ARG  81  15.731  -2.574  -4.300
  620   1HH2  ARG  81          1HH2      ARG  81  14.859  -2.005  -0.963
  621   2HH2  ARG  81          2HH2      ARG  81  16.031  -2.698  -2.033
  622    H    ARG  81           H        ARG  81  12.433   2.846  -1.747
  623    HA   ARG  81           HA       ARG  81  14.729   1.192  -2.514
  624    HE   ARG  81           HE       ARG  81  13.019  -0.974  -1.829
  625   1HB   LEU  82          2HB       LEU  82  17.516   3.818  -2.526
  626   2HB   LEU  82          1HB       LEU  82  17.639   5.199  -3.594
  627    H    LEU  82           H        LEU  82  14.736   3.934  -1.216
  628    HA   LEU  82           HA       LEU  82  16.001   5.820  -1.294
  629    HG   LEU  82           HG       LEU  82  19.493   5.167  -2.027
  630   1HD1  LEU  82          3HD1      LEU  82  17.505   7.339  -2.044
  631   2HD1  LEU  82          2HD1      LEU  82  18.718   7.418  -0.766
  632   3HD1  LEU  82          1HD1      LEU  82  19.219   7.361  -2.456
  633   1HD2  LEU  82          1HD2      LEU  82  17.387   4.544  -0.136
  634   2HD2  LEU  82          3HD2      LEU  82  19.129   4.301  -0.009
  635   3HD2  LEU  82          2HD2      LEU  82  18.422   5.857   0.427
  636   1HB   ASN  83          2HB       ASN  83  15.283   6.216  -5.924
  637   2HB   ASN  83          1HB       ASN  83  13.741   5.858  -6.699
  638   1HD2  ASN  83          2HD2      ASN  83  12.510   7.635  -7.539
  639   2HD2  ASN  83          1HD2      ASN  83  13.321   9.057  -8.087
  640    H    ASN  83           H        ASN  83  13.722   5.195  -3.341
  641    HA   ASN  83           HA       ASN  83  13.636   7.791  -4.462
  642   1HB   ARG  84          2HB       ARG  84   8.991   9.155  -4.895
  643   2HB   ARG  84          1HB       ARG  84   8.020   7.971  -4.033
  644   1HG   ARG  84          2HG       ARG  84  10.678   9.045  -3.108
  645   2HG   ARG  84          1HG       ARG  84   9.099   9.585  -2.534
  646   1HD   ARG  84          2HD       ARG  84   8.953   7.888  -1.106
  647   2HD   ARG  84          1HD       ARG  84   9.325   6.717  -2.370
  648   1HH1  ARG  84          2HH1      ARG  84   9.764   9.220  -0.042
  649   2HH1  ARG  84          1HH1      ARG  84  11.026   9.536   1.101
  650   1HH2  ARG  84          1HH2      ARG  84  13.208   7.140  -0.208
  651   2HH2  ARG  84          2HH2      ARG  84  12.983   8.354   1.006
  652    H    ARG  84           H        ARG  84  11.561   8.298  -4.661
  653    HA   ARG  84           HA       ARG  84   9.551   6.239  -4.447
  654    HE   ARG  84           HE       ARG  84  11.540   6.730  -1.710
  655   1HB   SER  85          2HB       SER  85  11.528   7.799  -9.312
  656   2HB   SER  85          1HB       SER  85  12.031   6.114  -9.182
  657    H    SER  85           H        SER  85  11.133   6.302  -6.897
  658    HA   SER  85           HA       SER  85   9.211   7.180  -8.915
  659    HG   SER  85           HG       SER  85  10.923   7.455 -11.296
  660   1HB   GLU  86          2HB       GLU  86   8.249   2.007  -6.315
  661   2HB   GLU  86          1HB       GLU  86   9.375   1.001  -7.217
  662   1HG   GLU  86          2HG       GLU  86  10.088   3.557  -5.795
  663   2HG   GLU  86          1HG       GLU  86  10.357   1.930  -5.171
  664    H    GLU  86           H        GLU  86   9.600   4.519  -7.081
  665    HA   GLU  86           HA       GLU  86   9.438   2.425  -8.999
  666   1HB   ARG  87          2HB       ARG  87   5.650   0.071 -10.944
  667   2HB   ARG  87          1HB       ARG  87   4.395   1.272 -11.203
  668   1HG   ARG  87          2HG       ARG  87   6.431   2.894 -11.482
  669   2HG   ARG  87          1HG       ARG  87   7.301   1.399 -11.830
  670   1HD   ARG  87          2HD       ARG  87   6.413   1.267 -13.866
  671   2HD   ARG  87          1HD       ARG  87   4.782   1.486 -13.234
  672   1HH1  ARG  87          2HH1      ARG  87   5.804   1.549 -15.660
  673   2HH1  ARG  87          1HH1      ARG  87   5.776   2.690 -16.962
  674   1HH2  ARG  87          2HH2      ARG  87   5.689   5.499 -14.882
  675   2HH2  ARG  87          1HH2      ARG  87   5.711   4.938 -16.520
  676    H    ARG  87           H        ARG  87   7.549   0.962  -9.195
  677    HA   ARG  87           HA       ARG  87   5.053   2.516  -9.295
  678    HE   ARG  87           HE       ARG  87   5.725   3.987 -13.175
  679   1HB   TRP  88          2HB       TRP  88   4.025   1.221  -5.228
  680   2HB   TRP  88          1HB       TRP  88   3.062  -0.159  -4.726
  681    H    TRP  88           H        TRP  88   3.627   1.951  -7.816
  682    HA   TRP  88           HA       TRP  88   3.190  -0.873  -7.219
  683    HD1  TRP  88           HD1      TRP  88   6.485   0.871  -4.800
  684    HE1  TRP  88           HE1      TRP  88   8.103  -1.129  -4.736
  685    HE3  TRP  88           HE3      TRP  88   3.203  -2.849  -6.007
  686    HZ2  TRP  88           HZ2      TRP  88   7.989  -3.927  -5.133
  687    HZ3  TRP  88           HZ3      TRP  88   4.036  -5.160  -6.144
  688    HH2  TRP  88           HH2      TRP  88   6.381  -5.685  -5.718
  689   1HB   ASP  89          2HB       ASP  89  -0.481  -1.220  -4.418
  690   2HB   ASP  89          1HB       ASP  89  -1.914  -0.207  -4.261
  691    H    ASP  89           H        ASP  89   1.597  -0.084  -4.868
  692    HA   ASP  89           HA       ASP  89  -0.708   1.116  -6.254
  693    H    ALA  90           H        ALA  90  -2.117   1.086  -3.586
  694    HA   ALA  90           HA       ALA  90  -0.596   2.843  -1.905
  695   1HB   ALA  90          1HB       ALA  90  -1.098   4.524  -3.462
  696   2HB   ALA  90          2HB       ALA  90  -2.258   4.745  -2.151
  697   3HB   ALA  90          3HB       ALA  90  -2.762   3.968  -3.652
  698   1HB   TYR  91          2HB       TYR  91  -1.198   1.517   2.115
  699   2HB   TYR  91          1HB       TYR  91  -2.670   1.250   3.042
  700    H    TYR  91           H        TYR  91  -1.207   2.478   0.104
  701    HA   TYR  91           HA       TYR  91  -3.739   1.140   0.607
  702    HD1  TYR  91           HD1      TYR  91  -4.173  -0.722   1.769
  703    HD2  TYR  91           HD2      TYR  91   0.066  -0.391   1.886
  704    HE1  TYR  91           HE1      TYR  91  -3.982  -3.142   1.389
  705    HE2  TYR  91           HE2      TYR  91   0.272  -2.811   1.502
  706    HH   TYR  91           HH       TYR  91  -1.890  -4.948   2.029
  707   1HB   CYS  92          2HB       CYS  92  -6.840   3.941  -0.177
  708   2HB   CYS  92          1HB       CYS  92  -7.613   4.842   1.123
  709    H    CYS  92           H        CYS  92  -4.922   3.112   0.010
  710    HA   CYS  92           HA       CYS  92  -4.885   5.558   1.170
  711   1HB   TYR  93          2HB       TYR  93  -4.726   4.787   5.417
  712   2HB   TYR  93          1HB       TYR  93  -4.703   6.537   5.626
  713    H    TYR  93           H        TYR  93  -6.098   6.552   2.884
  714    HA   TYR  93           HA       TYR  93  -7.196   4.948   4.991
  715    HD1  TYR  93           HD1      TYR  93  -6.820   7.279   7.275
  716    HD2  TYR  93           HD2      TYR  93  -4.622   3.640   7.413
  717    HE1  TYR  93           HE1      TYR  93  -7.439   7.008   9.639
  718    HE2  TYR  93           HE2      TYR  93  -5.234   3.354   9.777
  719    HH   TYR  93           HH       TYR  93  -6.594   5.837  11.638
  720   1HB   ASN  94          2HB       ASN  94  -9.199   8.943   3.900
  721   2HB   ASN  94          1HB       ASN  94 -10.590   7.901   4.183
  722   1HD2  ASN  94          1HD2      ASN  94  -9.342  11.091   4.320
  723   2HD2  ASN  94          2HD2      ASN  94 -10.797  11.872   4.831
  724    H    ASN  94           H        ASN  94  -8.874   6.063   5.680
  725    HA   ASN  94           HA       ASN  94  -8.639   8.878   6.280
  726   1HB   PRO  95          2HB       PRO  95 -11.632   9.607  10.751
  727   2HB   PRO  95          1HB       PRO  95 -10.214   8.594  11.035
  728   1HG   PRO  95          2HG       PRO  95 -10.524  10.972   9.252
  729   2HG   PRO  95          1HG       PRO  95  -9.156  10.513  10.282
  730   1HD   PRO  95          2HD       PRO  95  -9.119  10.125   7.625
  731   2HD   PRO  95          1HD       PRO  95  -8.355   8.979   8.745
  732    HA   PRO  95           HA       PRO  95 -11.172   7.170   9.537
  733   1HB   HIS  96          2HB       HIS  96 -13.281  11.477   6.809
  734   2HB   HIS  96          1HB       HIS  96 -14.875  11.262   6.093
  735    H    HIS  96           H        HIS  96 -12.037   9.504   7.167
  736    HA   HIS  96           HA       HIS  96 -14.881   9.239   7.897
  737    HD1  HIS  96           HD1      HIS  96 -16.577  12.638   7.215
  738    HD2  HIS  96           HD2      HIS  96 -13.621  11.401   9.861
  739    HE1  HIS  96           HE1      HIS  96 -17.207  13.632   9.438
  740    HE2  HIS  96           HE2      HIS  96 -15.452  12.797  11.042
  741    H    ALA  97           H        ALA  97 -12.842   7.659   6.115
  742    HA   ALA  97           HA       ALA  97 -14.141   7.754   3.530
  743   1HB   ALA  97          2HB       ALA  97 -11.863   6.139   4.640
  744   2HB   ALA  97          3HB       ALA  97 -11.816   7.402   3.411
  745   3HB   ALA  97          1HB       ALA  97 -12.541   5.837   3.041
  746   1HB   LYS  98          2HB       LYS  98 -17.789   6.812   6.407
  747   2HB   LYS  98          1HB       LYS  98 -18.930   5.695   5.669
  748   1HG   LYS  98          2HG       LYS  98 -19.199   4.852   7.706
  749   2HG   LYS  98          1HG       LYS  98 -17.610   4.116   7.492
  750   1HD   LYS  98          2HD       LYS  98 -17.367   5.225   9.508
  751   2HD   LYS  98          1HD       LYS  98 -16.721   6.396   8.358
  752   1HE   LYS  98          2HE       LYS  98 -18.220   7.436  10.008
  753   2HE   LYS  98          1HE       LYS  98 -18.817   7.604   8.357
  754    H    LYS  98           H        LYS  98 -16.034   7.146   5.368
  755    HA   LYS  98           HA       LYS  98 -16.403   4.386   5.853
  756   1HZ   LYS  98          3HZ       LYS  98 -20.289   5.697   8.775
  757   2HZ   LYS  98          2HZ       LYS  98 -19.766   5.652  10.383
  758   3HZ   LYS  98          1HZ       LYS  98 -20.613   6.998   9.807

  No H/Q in entry =         758
  Start of MODEL    8
    1   1HA   GLY   1          2HA       GLY   1 -10.542   1.620   7.857
    2   2HA   GLY   1          1HA       GLY   1  -9.531   2.813   8.657
    3    H1   GLY   1          1H        GLY   1 -11.770   3.432   6.809
    4    H2   GLY   1          3H        GLY   1 -11.831   3.540   8.496
    5    H3   GLY   1          2H        GLY   1 -10.813   4.567   7.619
    6    H    VAL   2           H        VAL   2  -7.843   1.507   7.529
    7    HA   VAL   2           HA       VAL   2  -7.028   2.900   5.149
    8    HB   VAL   2           HB       VAL   2  -5.235   2.458   6.568
    9   1HG1  VAL   2          2HG1      VAL   2  -6.765   0.175   7.310
   10   2HG1  VAL   2          1HG1      VAL   2  -5.131  -0.349   6.901
   11   3HG1  VAL   2          3HG1      VAL   2  -5.377   0.891   8.132
   12   1HG2  VAL   2          2HG2      VAL   2  -5.165   1.494   4.044
   13   2HG2  VAL   2          1HG2      VAL   2  -3.771   1.536   5.125
   14   3HG2  VAL   2          3HG2      VAL   2  -4.710   0.053   4.956
   15   1HB   TYR   3          2HB       TYR   3  -9.345   0.258   0.715
   16   2HB   TYR   3          1HB       TYR   3  -9.922   0.395   2.369
   17    H    TYR   3           H        TYR   3  -7.169   2.246   3.098
   18    HA   TYR   3           HA       TYR   3  -7.776  -0.565   2.542
   19    HD1  TYR   3           HD1      TYR   3  -8.681   2.856   3.322
   20    HD2  TYR   3           HD2      TYR   3 -10.323   1.958  -0.497
   21    HE1  TYR   3           HE1      TYR   3  -9.138   5.247   2.964
   22    HE2  TYR   3           HE2      TYR   3 -10.782   4.345  -0.867
   23    HH   TYR   3           HH       TYR   3  -9.507   6.676   0.354
   24   1HB   HIS   4          2HB       HIS   4  -4.326  -1.769  -1.315
   25   2HB   HIS   4          1HB       HIS   4  -5.693  -2.430  -0.428
   26    H    HIS   4           H        HIS   4  -7.489  -1.099   0.214
   27    HA   HIS   4           HA       HIS   4  -5.094   0.262  -0.778
   28    HD1  HIS   4           HD1      HIS   4  -7.949  -2.687  -2.037
   29    HD2  HIS   4           HD2      HIS   4  -4.224  -2.613  -3.879
   30    HE1  HIS   4           HE1      HIS   4  -8.305  -3.695  -4.314
   31    HE2  HIS   4           HE2      HIS   4  -6.036  -3.647  -5.409
   32   1HB   ARG   5          2HB       ARG   5  -6.214   3.548  -3.490
   33   2HB   ARG   5          1HB       ARG   5  -7.248   3.432  -4.906
   34   1HG   ARG   5          2HG       ARG   5  -8.130   2.202  -2.336
   35   2HG   ARG   5          1HG       ARG   5  -8.275   3.944  -2.576
   36   1HD   ARG   5          2HD       ARG   5  -9.256   2.834  -4.924
   37   2HD   ARG   5          1HD       ARG   5  -9.879   1.787  -3.651
   38   1HH1  ARG   5          2HH1      ARG   5 -11.439   1.457  -3.211
   39   2HH1  ARG   5          1HH1      ARG   5 -13.021   1.953  -2.708
   40   1HH2  ARG   5          2HH2      ARG   5 -12.357   5.373  -2.998
   41   2HH2  ARG   5          1HH2      ARG   5 -13.543   4.179  -2.587
   42    H    ARG   5           H        ARG   5  -4.993   1.206  -2.753
   43    HA   ARG   5           HA       ARG   5  -7.263   0.933  -4.579
   44    HE   ARG   5           HE       ARG   5 -10.276   4.710  -3.654
   45   1HB   GLU   6          2HB       GLU   6  -4.515   0.349  -9.477
   46   2HB   GLU   6          1HB       GLU   6  -5.542  -0.455  -8.299
   47   1HG   GLU   6          2HG       GLU   6  -6.414   1.905  -9.945
   48   2HG   GLU   6          1HG       GLU   6  -6.686   0.224 -10.406
   49    H    GLU   6           H        GLU   6  -6.780   1.322  -6.747
   50    HA   GLU   6           HA       GLU   6  -3.925   1.249  -7.364
   51    H    ALA   7           H        ALA   7  -3.868   2.195  -9.914
   52    HA   ALA   7           HA       ALA   7  -4.022   5.050  -9.456
   53   1HB   ALA   7          1HB       ALA   7  -2.627   5.306 -11.316
   54   2HB   ALA   7          3HB       ALA   7  -2.078   3.808 -10.562
   55   3HB   ALA   7          2HB       ALA   7  -3.100   3.749 -11.998
   56   1HB   ARG   8          2HB       ARG   8  -5.677   8.101 -12.406
   57   2HB   ARG   8          1HB       ARG   8  -7.158   7.985 -13.348
   58   1HG   ARG   8          2HG       ARG   8  -8.211   9.120 -11.772
   59   2HG   ARG   8          1HG       ARG   8  -7.914   7.795 -10.646
   60   1HD   ARG   8          2HD       ARG   8  -6.941   9.534  -9.517
   61   2HD   ARG   8          1HD       ARG   8  -5.559   8.924 -10.426
   62   1HH1  ARG   8          2HH1      ARG   8  -4.106   9.701 -10.647
   63   2HH1  ARG   8          1HH1      ARG   8  -3.162  11.017 -11.265
   64   1HH2  ARG   8          1HH2      ARG   8  -5.927  12.953 -12.176
   65   2HH2  ARG   8          2HH2      ARG   8  -4.198  12.865 -12.133
   66    H    ARG   8           H        ARG   8  -4.888   6.498 -11.149
   67    HA   ARG   8           HA       ARG   8  -7.596   5.952 -11.667
   68    HE   ARG   8           HE       ARG   8  -7.160  11.215 -11.360
   69   1HB   SER   9          2HB       SER   9  -3.526   3.951 -16.241
   70   2HB   SER   9          1HB       SER   9  -4.273   5.431 -16.846
   71    H    SER   9           H        SER   9  -4.723   5.285 -13.465
   72    HA   SER   9           HA       SER   9  -6.202   4.767 -15.922
   73    HG   SER   9           HG       SER   9  -2.470   5.112 -14.858
   74   1HA   GLY  10          2HA       GLY  10  -4.086   0.514 -14.713
   75   2HA   GLY  10          1HA       GLY  10  -5.674   0.621 -13.966
   76    H    GLY  10           H        GLY  10  -4.113   3.018 -13.647
   77   1HB   LYS  11          2HB       LYS  11  -5.134  -2.132 -10.672
   78   2HB   LYS  11          1HB       LYS  11  -3.813  -3.192 -11.148
   79   1HG   LYS  11          2HG       LYS  11  -2.795  -2.310  -8.858
   80   2HG   LYS  11          1HG       LYS  11  -4.508  -2.100  -8.486
   81   1HD   LYS  11          2HD       LYS  11  -4.293  -4.619  -9.693
   82   2HD   LYS  11          1HD       LYS  11  -2.939  -4.511  -8.567
   83   1HE   LYS  11          2HE       LYS  11  -4.753  -5.426  -7.351
   84   2HE   LYS  11          1HE       LYS  11  -4.590  -3.750  -6.826
   85    H    LYS  11           H        LYS  11  -4.141  -1.306 -13.020
   86    HA   LYS  11           HA       LYS  11  -3.367  -0.314 -10.370
   87   1HZ   LYS  11          1HZ       LYS  11  -6.464  -4.475  -8.986
   88   2HZ   LYS  11          3HZ       LYS  11  -6.913  -4.642  -7.363
   89   3HZ   LYS  11          2HZ       LYS  11  -6.486  -3.123  -7.970
   90   1HB   TYR  12          2HB       TYR  12  -0.360  -3.555 -11.166
   91   2HB   TYR  12          1HB       TYR  12   1.361  -3.258 -11.386
   92    H    TYR  12           H        TYR  12  -1.473  -1.173  -9.329
   93    HA   TYR  12           HA       TYR  12   0.747  -1.659  -9.226
   94    HD1  TYR  12           HD1      TYR  12   0.491  -2.762  -7.999
   95    HD2  TYR  12           HD2      TYR  12   1.285  -5.819 -10.850
   96    HE1  TYR  12           HE1      TYR  12   0.995  -4.328  -6.170
   97    HE2  TYR  12           HE2      TYR  12   1.790  -7.393  -9.030
   98    HH   TYR  12           HH       TYR  12   2.622  -7.111  -6.530
   99   1HB   LYS  13          2HB       LYS  13   1.392   2.435 -13.582
  100   2HB   LYS  13          1HB       LYS  13   1.395   0.678 -13.655
  101   1HG   LYS  13          2HG       LYS  13  -0.799   1.170 -12.113
  102   2HG   LYS  13          1HG       LYS  13  -0.813   2.541 -13.224
  103   1HD   LYS  13          2HD       LYS  13  -0.409  -0.242 -14.253
  104   2HD   LYS  13          1HD       LYS  13  -2.033   0.354 -13.895
  105   1HE   LYS  13          2HE       LYS  13  -0.050   1.598 -15.795
  106   2HE   LYS  13          1HE       LYS  13  -1.496   0.695 -16.240
  107    H    LYS  13           H        LYS  13   0.487   0.759 -10.103
  108    HA   LYS  13           HA       LYS  13   2.724   1.190 -11.785
  109   1HZ   LYS  13          2HZ       LYS  13  -2.012   2.891 -14.457
  110   2HZ   LYS  13          1HZ       LYS  13  -1.363   3.376 -15.942
  111   3HZ   LYS  13          3HZ       LYS  13  -2.788   2.463 -15.898
  112   1HB   LEU  14          2HB       LEU  14   0.240   2.956  -7.614
  113   2HB   LEU  14          1HB       LEU  14   0.723   4.521  -6.988
  114    H    LEU  14           H        LEU  14   1.477   2.009  -9.227
  115    HA   LEU  14           HA       LEU  14   1.147   4.894  -9.640
  116    HG   LEU  14           HG       LEU  14  -1.451   3.955  -8.999
  117   1HD1  LEU  14          3HD1      LEU  14  -1.364   4.222  -6.144
  118   2HD1  LEU  14          2HD1      LEU  14  -2.344   5.512  -6.846
  119   3HD1  LEU  14          1HD1      LEU  14  -2.728   3.825  -7.190
  120   1HD2  LEU  14          1HD2      LEU  14   0.087   6.107  -9.223
  121   2HD2  LEU  14          3HD2      LEU  14  -1.656   6.168  -9.486
  122   3HD2  LEU  14          2HD2      LEU  14  -0.978   6.686  -7.942
  123    H    THR  15           H        THR  15   2.352   6.406  -8.476
  124    HA   THR  15           HA       THR  15   4.949   5.399  -7.526
  125    HB   THR  15           HB       THR  15   5.895   7.530  -8.035
  126    HG1  THR  15           HG1      THR  15   4.706   9.321  -8.358
  127   1HG2  THR  15          2HG2      THR  15   4.102   6.391 -10.138
  128   2HG2  THR  15          1HG2      THR  15   5.008   7.866 -10.475
  129   3HG2  THR  15          3HG2      THR  15   5.863   6.386 -10.041
  130   1HB   TYR  16          2HB       TYR  16   6.742   7.623  -3.715
  131   2HB   TYR  16          1HB       TYR  16   6.540   9.264  -4.318
  132    H    TYR  16           H        TYR  16   5.687   7.796  -6.172
  133    HA   TYR  16           HA       TYR  16   4.288   7.346  -3.681
  134    HD1  TYR  16           HD1      TYR  16   5.107   7.224  -1.529
  135    HD2  TYR  16           HD2      TYR  16   6.892  10.893  -2.733
  136    HE1  TYR  16           HE1      TYR  16   4.961   8.044   0.781
  137    HE2  TYR  16           HE2      TYR  16   6.751  11.726  -0.422
  138    HH   TYR  16           HH       TYR  16   4.912  10.816   1.751
  139    H    ALA  17           H        ALA  17   5.207  10.353  -5.348
  140    HA   ALA  17           HA       ALA  17   3.411  12.027  -4.065
  141   1HB   ALA  17          1HB       ALA  17   5.311  12.742  -5.502
  142   2HB   ALA  17          3HB       ALA  17   4.343  12.320  -6.915
  143   3HB   ALA  17          2HB       ALA  17   3.807  13.603  -5.829
  144   1HB   GLU  18          2HB       GLU  18   1.848   8.332  -8.099
  145   2HB   GLU  18          1HB       GLU  18   0.203   8.587  -8.666
  146   1HG   GLU  18          2HG       GLU  18   0.849  10.337 -10.088
  147   2HG   GLU  18          1HG       GLU  18   2.419  10.503  -9.304
  148    H    GLU  18           H        GLU  18   2.923   9.859  -6.761
  149    HA   GLU  18           HA       GLU  18   0.393  10.912  -7.560
  150    H    ALA  19           H        ALA  19   1.373   8.033  -5.731
  151    HA   ALA  19           HA       ALA  19  -1.107   7.017  -5.084
  152   1HB   ALA  19          2HB       ALA  19   0.329   5.541  -4.234
  153   2HB   ALA  19          3HB       ALA  19   0.420   6.581  -2.812
  154   3HB   ALA  19          1HB       ALA  19   1.605   6.754  -4.107
  155   1HB   LYS  20          2HB       LYS  20   1.352  10.977  -1.833
  156   2HB   LYS  20          1HB       LYS  20   0.486  12.238  -2.696
  157   1HG   LYS  20          2HG       LYS  20  -0.252  13.215  -0.806
  158   2HG   LYS  20          1HG       LYS  20  -0.458  11.678   0.037
  159   1HD   LYS  20          2HD       LYS  20   2.010  11.537   0.271
  160   2HD   LYS  20          1HD       LYS  20   2.131  13.147  -0.441
  161   1HE   LYS  20          2HE       LYS  20   0.828  12.371   2.157
  162   2HE   LYS  20          1HE       LYS  20   2.236  13.405   1.923
  163    H    LYS  20           H        LYS  20   0.652   9.675  -3.607
  164    HA   LYS  20           HA       LYS  20  -0.971   9.988  -1.338
  165   1HZ   LYS  20          1HZ       LYS  20   0.491  14.765   0.515
  166   2HZ   LYS  20          3HZ       LYS  20  -0.598  14.018   1.574
  167   3HZ   LYS  20          2HZ       LYS  20   0.651  14.983   2.184
  168    H    ALA  21           H        ALA  21  -0.911  11.756  -4.423
  169    HA   ALA  21           HA       ALA  21  -3.142  13.383  -3.906
  170   1HB   ALA  21          2HB       ALA  21  -3.179  13.814  -6.300
  171   2HB   ALA  21          3HB       ALA  21  -2.122  12.430  -6.582
  172   3HB   ALA  21          1HB       ALA  21  -1.522  13.832  -5.695
  173    H    VAL  22           H        VAL  22  -2.880  10.231  -5.509
  174    HA   VAL  22           HA       VAL  22  -5.497   9.929  -6.370
  175    HB   VAL  22           HB       VAL  22  -3.278   8.098  -5.696
  176   1HG1  VAL  22          3HG1      VAL  22  -6.128   7.135  -5.842
  177   2HG1  VAL  22          2HG1      VAL  22  -4.702   6.099  -5.913
  178   3HG1  VAL  22          1HG1      VAL  22  -5.046   7.029  -4.453
  179   1HG2  VAL  22          3HG2      VAL  22  -3.607   8.959  -7.948
  180   2HG2  VAL  22          2HG2      VAL  22  -3.803   7.206  -7.912
  181   3HG2  VAL  22          1HG2      VAL  22  -5.222   8.251  -7.996
  182   1HB   CYS  23          2HB       CYS  23  -3.689   9.123  -1.149
  183   2HB   CYS  23          1HB       CYS  23  -4.945   9.222   0.080
  184    H    CYS  23           H        CYS  23  -4.049   9.343  -3.221
  185    HA   CYS  23           HA       CYS  23  -6.352   8.190  -2.015
  186   1HB   GLU  24          2HB       GLU  24  -4.427  13.367  -1.361
  187   2HB   GLU  24          1HB       GLU  24  -5.672  14.547  -1.743
  188   1HG   GLU  24          2HG       GLU  24  -6.143  14.788   0.662
  189   2HG   GLU  24          1HG       GLU  24  -4.834  13.658   1.008
  190    H    GLU  24           H        GLU  24  -4.830  11.375  -1.601
  191    HA   GLU  24           HA       GLU  24  -6.842  12.553  -0.079
  192   1HB   PHE  25          2HB       PHE  25  -7.090  12.455  -5.557
  193   2HB   PHE  25          1HB       PHE  25  -8.212  11.117  -5.675
  194    H    PHE  25           H        PHE  25  -7.019  11.512  -3.249
  195    HA   PHE  25           HA       PHE  25  -8.949  13.515  -4.099
  196    HD1  PHE  25           HD1      PHE  25  -7.829  14.721  -6.351
  197    HD2  PHE  25           HD2      PHE  25 -10.042  11.172  -7.143
  198    HE1  PHE  25           HE1      PHE  25  -9.018  15.873  -8.171
  199    HE2  PHE  25           HE2      PHE  25 -11.234  12.318  -8.966
  200    HZ   PHE  25           HZ       PHE  25 -10.722  14.672  -9.482
  201   1HB   GLU  26          2HB       GLU  26  -9.448   7.785  -3.027
  202   2HB   GLU  26          1HB       GLU  26 -11.096   7.303  -3.391
  203   1HG   GLU  26          2HG       GLU  26 -10.732   8.030  -5.738
  204   2HG   GLU  26          1HG       GLU  26  -9.042   8.327  -5.332
  205    H    GLU  26           H        GLU  26  -8.778  10.009  -3.674
  206    HA   GLU  26           HA       GLU  26 -11.590   9.645  -4.063
  207   1HA   GLY  27          1HA       GLY  27 -12.254  10.457   0.234
  208   2HA   GLY  27          2HA       GLY  27 -11.124  11.798   0.378
  209    H    GLY  27           H        GLY  27 -10.177  11.175  -1.665
  210   1HA   GLY  28          2HA       GLY  28  -8.259   8.553   1.894
  211   2HA   GLY  28          1HA       GLY  28  -8.515   9.778   3.132
  212    H    GLY  28           H        GLY  28  -8.790  11.088   0.714
  213   1HB   HIS  29          2HB       HIS  29  -3.236  10.358   4.210
  214   2HB   HIS  29          1HB       HIS  29  -3.789  11.697   3.208
  215    H    HIS  29           H        HIS  29  -6.125   8.661   3.188
  216    HA   HIS  29           HA       HIS  29  -4.272  10.240   1.582
  217    HD1  HIS  29           HD1      HIS  29  -4.825   9.519   6.058
  218    HD2  HIS  29           HD2      HIS  29  -6.330  12.698   3.844
  219    HE1  HIS  29           HE1      HIS  29  -6.824  10.347   7.342
  220    HE2  HIS  29           HE2      HIS  29  -7.774  12.208   5.933
  221   1HB   LEU  30          2HB       LEU  30   0.238   8.985   2.195
  222   2HB   LEU  30          1HB       LEU  30   0.760   7.315   2.169
  223    H    LEU  30           H        LEU  30  -1.968   9.559   2.017
  224    HA   LEU  30           HA       LEU  30  -1.736   6.771   1.744
  225    HG   LEU  30           HG       LEU  30  -0.514   8.859  -0.086
  226   1HD1  LEU  30          1HD1      LEU  30   2.019   8.985   0.573
  227   2HD1  LEU  30          3HD1      LEU  30   2.089   7.418  -0.233
  228   3HD1  LEU  30          2HD1      LEU  30   1.533   8.840  -1.117
  229   1HD2  LEU  30          1HD2      LEU  30  -0.249   5.952   0.371
  230   2HD2  LEU  30          3HD2      LEU  30  -1.430   6.851  -0.580
  231   3HD2  LEU  30          2HD2      LEU  30   0.180   6.548  -1.233
  232    H    ALA  31           H        ALA  31  -2.168   5.375   3.327
  233    HA   ALA  31           HA       ALA  31  -2.179   5.920   6.060
  234   1HB   ALA  31          2HB       ALA  31  -2.230   3.448   4.426
  235   2HB   ALA  31          1HB       ALA  31  -1.872   3.292   6.147
  236   3HB   ALA  31          3HB       ALA  31  -3.381   4.043   5.623
  237    H    THR  32           H        THR  32  -0.803   3.924   7.327
  238    HA   THR  32           HA       THR  32   2.028   4.474   6.757
  239    HB   THR  32           HB       THR  32   2.472   5.365   8.766
  240    HG1  THR  32           HG1      THR  32   0.703   4.368  10.501
  241   1HG2  THR  32          2HG2      THR  32   0.464   6.627   7.994
  242   2HG2  THR  32          1HG2      THR  32  -0.521   5.602   9.036
  243   3HG2  THR  32          3HG2      THR  32   0.700   6.661   9.741
  244   1HB   TYR  33          2HB       TYR  33   5.203   1.431   7.808
  245   2HB   TYR  33          1HB       TYR  33   4.860   1.152   9.509
  246    H    TYR  33           H        TYR  33   3.508   2.968   7.889
  247    HA   TYR  33           HA       TYR  33   2.936   0.312   7.349
  248    HD1  TYR  33           HD1      TYR  33   5.364  -0.564   6.262
  249    HD2  TYR  33           HD2      TYR  33   5.226  -0.952  10.496
  250    HE1  TYR  33           HE1      TYR  33   6.275  -2.840   6.077
  251    HE2  TYR  33           HE2      TYR  33   6.137  -3.229  10.323
  252    HH   TYR  33           HH       TYR  33   6.987  -4.775   8.965
  253   1HB   LYS  34          2HB       LYS  34   2.453   2.613  12.394
  254   2HB   LYS  34          1HB       LYS  34   0.879   2.171  13.033
  255   1HG   LYS  34          2HG       LYS  34   1.776   0.862  14.707
  256   2HG   LYS  34          1HG       LYS  34   3.301   0.629  13.849
  257   1HD   LYS  34          2HD       LYS  34   4.106   2.718  14.444
  258   2HD   LYS  34          1HD       LYS  34   2.492   3.365  14.745
  259   1HE   LYS  34          2HE       LYS  34   2.355   1.742  16.685
  260   2HE   LYS  34          1HE       LYS  34   4.083   1.470  16.454
  261    H    LYS  34           H        LYS  34   2.978   1.923  10.516
  262    HA   LYS  34           HA       LYS  34   2.190  -0.198  12.101
  263   1HZ   LYS  34          1HZ       LYS  34   3.007   4.196  16.802
  264   2HZ   LYS  34          3HZ       LYS  34   3.356   3.221  18.140
  265   3HZ   LYS  34          2HZ       LYS  34   4.583   3.640  17.055
  266   1HB   GLN  35          2HB       GLN  35  -1.644   2.458   8.577
  267   2HB   GLN  35          1HB       GLN  35  -3.241   2.351   9.296
  268   1HG   GLN  35          2HG       GLN  35  -2.337   3.689  11.227
  269   2HG   GLN  35          1HG       GLN  35  -0.899   3.965  10.246
  270   1HE2  GLN  35          1HE2      GLN  35  -3.509   5.459  11.243
  271   2HE2  GLN  35          2HE2      GLN  35  -3.889   6.444   9.875
  272    H    GLN  35           H        GLN  35   0.150   2.150  10.386
  273    HA   GLN  35           HA       GLN  35  -2.329   1.176  11.228
  274   1HB   LEU  36          2HB       LEU  36   0.906  -0.997   7.315
  275   2HB   LEU  36          1HB       LEU  36   0.638  -2.724   7.200
  276    H    LEU  36           H        LEU  36  -0.151   0.136   8.686
  277    HA   LEU  36           HA       LEU  36  -1.920  -1.547   7.285
  278    HG   LEU  36           HG       LEU  36   0.851  -1.837   4.983
  279   1HD1  LEU  36          2HD1      LEU  36  -1.250  -3.369   5.816
  280   2HD1  LEU  36          1HD1      LEU  36  -2.060  -2.084   4.921
  281   3HD1  LEU  36          3HD1      LEU  36  -0.819  -3.059   4.134
  282   1HD2  LEU  36          2HD2      LEU  36  -0.548   0.387   6.087
  283   2HD2  LEU  36          1HD2      LEU  36   0.269   0.251   4.530
  284   3HD2  LEU  36          3HD2      LEU  36  -1.429  -0.204   4.679
  285   1HB   GLU  37          2HB       GLU  37   1.423  -3.459  11.637
  286   2HB   GLU  37          1HB       GLU  37   0.090  -2.830  12.592
  287   1HG   GLU  37          2HG       GLU  37  -0.402  -5.333  13.067
  288   2HG   GLU  37          1HG       GLU  37   1.278  -5.562  12.580
  289    H    GLU  37           H        GLU  37   0.109  -2.065  10.113
  290    HA   GLU  37           HA       GLU  37  -0.214  -4.843  10.359
  291    H    ALA  38           H        ALA  38  -1.911  -2.216  12.027
  292    HA   ALA  38           HA       ALA  38  -3.799  -3.676  13.407
  293   1HB   ALA  38          1HB       ALA  38  -3.454  -1.236  13.624
  294   2HB   ALA  38          2HB       ALA  38  -5.154  -1.674  13.453
  295   3HB   ALA  38          3HB       ALA  38  -4.270  -1.011  12.077
  296    H    ALA  39           H        ALA  39  -3.622  -2.897  10.036
  297    HA   ALA  39           HA       ALA  39  -6.321  -3.737   9.435
  298   1HB   ALA  39          1HB       ALA  39  -4.040  -3.213   7.534
  299   2HB   ALA  39          2HB       ALA  39  -5.140  -1.974   8.139
  300   3HB   ALA  39          3HB       ALA  39  -5.758  -3.288   7.139
  301   1HB   ARG  40          2HB       ARG  40  -1.418  -6.428   8.396
  302   2HB   ARG  40          1HB       ARG  40  -1.534  -7.210   9.966
  303   1HG   ARG  40          2HG       ARG  40  -2.171  -9.188   8.097
  304   2HG   ARG  40          1HG       ARG  40  -0.793  -8.317   7.422
  305   1HD   ARG  40          2HD       ARG  40   0.539  -8.751   9.323
  306   2HD   ARG  40          1HD       ARG  40  -0.850  -9.289  10.266
  307   1HH1  ARG  40          1HH1      ARG  40   0.175 -10.457  11.342
  308   2HH1  ARG  40          2HH1      ARG  40   0.589 -12.115  11.618
  309   1HH2  ARG  40          2HH2      ARG  40   0.292 -13.050   8.262
  310   2HH2  ARG  40          1HH2      ARG  40   0.656 -13.589   9.867
  311    H    ARG  40           H        ARG  40  -3.117  -5.102   9.454
  312    HA   ARG  40           HA       ARG  40  -3.725  -7.419   7.906
  313    HE   ARG  40           HE       ARG  40  -0.250 -10.863   7.909
  314   1HB   LYS  41          2HB       LYS  41  -4.688  -8.195  14.379
  315   2HB   LYS  41          1HB       LYS  41  -3.726  -6.963  13.575
  316   1HG   LYS  41          2HG       LYS  41  -5.558  -5.634  13.125
  317   2HG   LYS  41          1HG       LYS  41  -6.693  -6.978  13.274
  318   1HD   LYS  41          2HD       LYS  41  -7.054  -6.438  15.399
  319   2HD   LYS  41          1HD       LYS  41  -5.344  -6.695  15.755
  320   1HE   LYS  41          2HE       LYS  41  -5.593  -4.506  16.396
  321   2HE   LYS  41          1HE       LYS  41  -5.083  -4.305  14.721
  322    H    LYS  41           H        LYS  41  -3.794  -6.649  11.336
  323    HA   LYS  41           HA       LYS  41  -4.104  -9.212  12.370
  324   1HZ   LYS  41          2HZ       LYS  41  -7.888  -4.566  14.835
  325   2HZ   LYS  41          1HZ       LYS  41  -7.400  -3.352  15.907
  326   3HZ   LYS  41          3HZ       LYS  41  -6.968  -3.263  14.274
  327   1HG1  ILE  42          2HG1      ILE  42  -8.536  -5.350   9.035
  328   2HG1  ILE  42          1HG1      ILE  42  -7.770  -6.893   8.670
  329    H    ILE  42           H        ILE  42  -6.362  -7.131  10.753
  330    HA   ILE  42           HA       ILE  42  -8.666  -8.696  11.581
  331    HB   ILE  42           HB       ILE  42 -10.021  -7.113  10.538
  332   1HG2  ILE  42          2HG2      ILE  42  -7.539  -5.680  11.466
  333   2HG2  ILE  42          1HG2      ILE  42  -9.097  -4.903  11.191
  334   3HG2  ILE  42          3HG2      ILE  42  -8.936  -6.135  12.442
  335   1HD1  ILE  42          3HD1      ILE  42 -10.719  -6.817   8.565
  336   2HD1  ILE  42          2HD1      ILE  42  -9.843  -5.946   7.306
  337   3HD1  ILE  42          1HD1      ILE  42  -9.562  -7.671   7.542
  338   1HA   GLY  43          1HA       GLY  43  -7.947 -10.728   7.642
  339   2HA   GLY  43          2HA       GLY  43  -6.190 -10.657   7.672
  340    H    GLY  43           H        GLY  43  -6.348  -8.721   9.089
  341   1HB   PHE  44          2HB       PHE  44  -6.621  -5.562   6.283
  342   2HB   PHE  44          1HB       PHE  44  -4.908  -5.907   6.082
  343    H    PHE  44           H        PHE  44  -5.764  -7.992   7.126
  344    HA   PHE  44           HA       PHE  44  -7.171  -7.340   4.671
  345    HD1  PHE  44           HD1      PHE  44  -7.066  -6.080   3.170
  346    HD2  PHE  44           HD2      PHE  44  -4.544  -3.558   5.488
  347    HE1  PHE  44           HE1      PHE  44  -6.974  -4.470   1.310
  348    HE2  PHE  44           HE2      PHE  44  -4.447  -1.943   3.634
  349    HZ   PHE  44           HZ       PHE  44  -5.663  -2.399   1.542
  350   1HB   HIS  45          2HB       HIS  45  -4.697 -11.571   3.207
  351   2HB   HIS  45          1HB       HIS  45  -6.021 -11.102   2.149
  352    H    HIS  45           H        HIS  45  -6.397  -9.321   3.604
  353    HA   HIS  45           HA       HIS  45  -3.596  -9.483   2.918
  354    HD1  HIS  45           HD1      HIS  45  -5.881 -12.629   0.208
  355    HD2  HIS  45           HD2      HIS  45  -2.148 -11.171   1.302
  356    HE1  HIS  45           HE1      HIS  45  -4.281 -13.509  -1.520
  357    HE2  HIS  45           HE2      HIS  45  -2.041 -12.552  -0.879
  358    H    VAL  46           H        VAL  46  -2.641  -8.909   1.042
  359    HA   VAL  46           HA       VAL  46  -3.941  -8.453  -1.405
  360    HB   VAL  46           HB       VAL  46  -4.957  -6.500  -0.664
  361   1HG1  VAL  46          2HG1      VAL  46  -2.885  -6.516   1.291
  362   2HG1  VAL  46          1HG1      VAL  46  -2.953  -4.918   0.545
  363   3HG1  VAL  46          3HG1      VAL  46  -4.397  -5.607   1.287
  364   1HG2  VAL  46          3HG2      VAL  46  -3.505  -6.173  -2.687
  365   2HG2  VAL  46          2HG2      VAL  46  -3.904  -4.699  -1.805
  366   3HG2  VAL  46          1HG2      VAL  46  -2.311  -5.432  -1.622
  367   1HB   CYS  47          2HB       CYS  47   0.810 -10.269  -3.705
  368   2HB   CYS  47          1HB       CYS  47  -0.910 -10.584  -3.511
  369    H    CYS  47           H        CYS  47  -2.353  -9.083  -2.700
  370    HA   CYS  47           HA       CYS  47   0.412  -8.798  -2.014
  371    H    ALA  48           H        ALA  48  -1.725  -6.591  -3.144
  372    HA   ALA  48           HA       ALA  48   0.008  -5.323  -5.094
  373   1HB   ALA  48          2HB       ALA  48  -2.646  -5.402  -4.965
  374   2HB   ALA  48          3HB       ALA  48  -1.777  -4.052  -5.696
  375   3HB   ALA  48          1HB       ALA  48  -2.384  -3.919  -4.046
  376    H    ALA  49           H        ALA  49   1.817  -4.911  -3.742
  377    HA   ALA  49           HA       ALA  49   1.991  -3.701  -1.336
  378   1HB   ALA  49          3HB       ALA  49   4.122  -3.908  -1.929
  379   2HB   ALA  49          2HB       ALA  49   3.701  -3.925  -3.642
  380   3HB   ALA  49          1HB       ALA  49   3.956  -2.389  -2.812
  381   1HA   GLY  50          2HA       GLY  50   0.015   0.116  -0.564
  382   2HA   GLY  50          1HA       GLY  50   0.470   0.307  -2.251
  383    H    GLY  50           H        GLY  50   1.486  -1.783  -0.443
  384   1HB   TRP  51          2HB       TRP  51   1.667   4.646  -2.356
  385   2HB   TRP  51          1HB       TRP  51   3.149   5.317  -1.678
  386    H    TRP  51           H        TRP  51   0.860   2.545  -1.723
  387    HA   TRP  51           HA       TRP  51   3.590   2.948  -0.777
  388    HD1  TRP  51           HD1      TRP  51   1.867   3.174  -4.518
  389    HE1  TRP  51           HE1      TRP  51   3.825   2.591  -6.093
  390    HE3  TRP  51           HE3      TRP  51   5.753   4.897  -1.667
  391    HZ2  TRP  51           HZ2      TRP  51   6.637   2.839  -6.126
  392    HZ3  TRP  51           HZ3      TRP  51   8.044   4.687  -2.547
  393    HH2  TRP  51           HH2      TRP  51   8.473   3.681  -4.729
  394   1HB   MET  52          2HB       MET  52   3.064   4.519   4.597
  395   2HB   MET  52          1HB       MET  52   2.042   3.459   3.639
  396   1HG   MET  52          2HG       MET  52   3.944   2.352   2.709
  397   2HG   MET  52          1HG       MET  52   5.042   3.514   3.453
  398    H    MET  52           H        MET  52   4.135   4.117   0.994
  399    HA   MET  52           HA       MET  52   2.011   5.493   2.474
  400   1HE   MET  52          1HE       MET  52   4.725   0.152   3.546
  401   2HE   MET  52          3HE       MET  52   4.085  -0.438   5.080
  402   3HE   MET  52          2HE       MET  52   2.996   0.257   3.880
  403    H    ALA  53           H        ALA  53   3.375   6.320   4.657
  404    HA   ALA  53           HA       ALA  53   4.760   8.550   3.818
  405   1HB   ALA  53          2HB       ALA  53   5.580   8.737   6.131
  406   2HB   ALA  53          3HB       ALA  53   5.033   7.090   6.443
  407   3HB   ALA  53          1HB       ALA  53   3.860   8.350   6.058
  408   1HB   LYS  54          2HB       LYS  54   8.548   6.468   5.021
  409   2HB   LYS  54          1HB       LYS  54  10.041   6.415   4.097
  410   1HG   LYS  54          2HG       LYS  54  10.917   7.330   5.943
  411   2HG   LYS  54          1HG       LYS  54  10.286   8.831   5.266
  412   1HD   LYS  54          2HD       LYS  54   9.112   9.086   7.138
  413   2HD   LYS  54          1HD       LYS  54   8.139   7.699   6.642
  414   1HE   LYS  54          2HE       LYS  54  10.553   6.716   7.758
  415   2HE   LYS  54          1HE       LYS  54   9.907   7.934   8.858
  416    H    LYS  54           H        LYS  54   6.968   9.138   3.827
  417    HA   LYS  54           HA       LYS  54   9.197   8.891   3.447
  418   1HZ   LYS  54          1HZ       LYS  54   7.740   6.724   8.689
  419   2HZ   LYS  54          3HZ       LYS  54   8.559   5.481   7.883
  420   3HZ   LYS  54          2HZ       LYS  54   8.972   5.872   9.476
  421   1HA   GLY  55          1HA       GLY  55   8.450   6.716  -0.368
  422   2HA   GLY  55          2HA       GLY  55   6.727   6.420  -0.242
  423    H    GLY  55           H        GLY  55   6.828   7.089   1.968
  424   1HB   ARG  56          2HB       ARG  56   8.443   3.207   3.642
  425   2HB   ARG  56          1HB       ARG  56   6.835   2.496   3.603
  426   1HG   ARG  56          2HG       ARG  56   8.161   0.406   2.689
  427   2HG   ARG  56          1HG       ARG  56   9.496   1.182   3.546
  428   1HD   ARG  56          2HD       ARG  56   6.824   0.426   4.725
  429   2HD   ARG  56          1HD       ARG  56   8.348  -0.423   4.979
  430   1HH1  ARG  56          2HH1      ARG  56   9.193  -0.845   6.332
  431   2HH1  ARG  56          1HH1      ARG  56   9.897  -0.476   7.871
  432   1HH2  ARG  56          2HH2      ARG  56   8.786   2.840   7.908
  433   2HH2  ARG  56          1HH2      ARG  56   9.665   1.620   8.768
  434    H    ARG  56           H        ARG  56   7.096   4.718   2.149
  435    HA   ARG  56           HA       ARG  56   8.653   2.465   1.200
  436    HE   ARG  56           HE       ARG  56   7.864   2.343   5.882
  437    H    VAL  57           H        VAL  57   7.826   0.454   0.609
  438    HA   VAL  57           HA       VAL  57   4.920   0.327   0.170
  439    HB   VAL  57           HB       VAL  57   5.066  -0.110  -2.036
  440   1HG1  VAL  57          3HG1      VAL  57   7.572   1.346  -1.354
  441   2HG1  VAL  57          2HG1      VAL  57   7.310   0.831  -3.021
  442   3HG1  VAL  57          1HG1      VAL  57   6.147   1.898  -2.235
  443   1HG2  VAL  57          1HG2      VAL  57   7.531  -1.661  -1.334
  444   2HG2  VAL  57          3HG2      VAL  57   6.009  -2.236  -2.015
  445   3HG2  VAL  57          2HG2      VAL  57   7.132  -1.313  -3.016
  446   1HA   GLY  58          2HA       GLY  58   5.018  -3.612   1.913
  447   2HA   GLY  58          1HA       GLY  58   5.515  -4.184   0.329
  448    H    GLY  58           H        GLY  58   4.058  -1.825  -0.043
  449   1HB   TYR  59          2HB       TYR  59   1.311  -7.639  -0.886
  450   2HB   TYR  59          1HB       TYR  59   1.645  -6.048  -1.563
  451    H    TYR  59           H        TYR  59   4.154  -6.042   0.910
  452    HA   TYR  59           HA       TYR  59   1.284  -5.500   0.645
  453    HD1  TYR  59           HD1      TYR  59   4.073  -5.370  -1.916
  454    HD2  TYR  59           HD2      TYR  59   2.904  -9.372  -1.028
  455    HE1  TYR  59           HE1      TYR  59   6.223  -6.188  -2.783
  456    HE2  TYR  59           HE2      TYR  59   5.048 -10.193  -1.903
  457    HH   TYR  59           HH       TYR  59   6.964  -9.660  -2.885
  458   1HB   PRO  60          2HB       PRO  60  -0.736  -7.824   5.113
  459   2HB   PRO  60          1HB       PRO  60   0.710  -6.920   5.565
  460   1HG   PRO  60          2HG       PRO  60  -1.408  -6.245   3.577
  461   2HG   PRO  60          1HG       PRO  60  -0.532  -5.182   4.691
  462   1HD   PRO  60          1HD       PRO  60   0.058  -5.325   2.059
  463   2HD   PRO  60          2HD       PRO  60   1.295  -5.015   3.292
  464    HA   PRO  60           HA       PRO  60   1.799  -8.358   4.172
  465   1HG1  ILE  61          2HG1      ILE  61   2.364 -10.498   1.034
  466   2HG1  ILE  61          1HG1      ILE  61   2.625 -11.787  -0.137
  467    H    ILE  61           H        ILE  61   1.764 -10.180   2.776
  468    HA   ILE  61           HA       ILE  61  -0.713 -11.097   1.638
  469    HB   ILE  61           HB       ILE  61   1.776 -12.758   1.908
  470   1HG2  ILE  61          2HG2      ILE  61  -0.738 -13.144   0.715
  471   2HG2  ILE  61          1HG2      ILE  61   0.412 -12.909  -0.603
  472   3HG2  ILE  61          3HG2      ILE  61   0.688 -14.176   0.592
  473   1HD1  ILE  61          2HD1      ILE  61   0.317 -11.185  -1.043
  474   2HD1  ILE  61          1HD1      ILE  61   0.478  -9.706  -0.096
  475   3HD1  ILE  61          3HD1      ILE  61   1.648 -10.072  -1.364
  476    H    VAL  62           H        VAL  62  -1.888 -12.913   2.206
  477    HA   VAL  62           HA       VAL  62  -1.236 -14.296   4.691
  478    HB   VAL  62           HB       VAL  62  -3.916 -12.966   4.256
  479   1HG1  VAL  62          2HG1      VAL  62  -3.258 -15.220   5.760
  480   2HG1  VAL  62          1HG1      VAL  62  -3.372 -13.905   6.928
  481   3HG1  VAL  62          3HG1      VAL  62  -4.735 -14.262   5.867
  482   1HG2  VAL  62          2HG2      VAL  62  -1.596 -12.253   6.032
  483   2HG2  VAL  62          1HG2      VAL  62  -2.406 -11.245   4.832
  484   3HG2  VAL  62          3HG2      VAL  62  -3.236 -11.675   6.328
  485   1HB   LYS  63          2HB       LYS  63  -5.431 -14.958   1.567
  486   2HB   LYS  63          1HB       LYS  63  -4.938 -15.092  -0.114
  487   1HG   LYS  63          2HG       LYS  63  -5.558 -17.652   1.165
  488   2HG   LYS  63          1HG       LYS  63  -6.921 -16.537   1.052
  489   1HD   LYS  63          2HD       LYS  63  -7.174 -17.125  -1.075
  490   2HD   LYS  63          1HD       LYS  63  -5.596 -16.419  -1.424
  491   1HE   LYS  63          2HE       LYS  63  -4.496 -18.487  -1.133
  492   2HE   LYS  63          1HE       LYS  63  -5.911 -19.220  -0.382
  493    H    LYS  63           H        LYS  63  -2.852 -14.086   1.652
  494    HA   LYS  63           HA       LYS  63  -3.671 -16.907   1.890
  495   1HZ   LYS  63          1HZ       LYS  63  -6.290 -18.224  -3.081
  496   2HZ   LYS  63          3HZ       LYS  63  -5.262 -19.560  -2.934
  497   3HZ   LYS  63          2HZ       LYS  63  -6.851 -19.649  -2.363
  498   1HB   PRO  64          2HB       PRO  64   0.661 -19.102  -0.734
  499   2HB   PRO  64          1HB       PRO  64   1.215 -17.610   0.027
  500   1HG   PRO  64          2HG       PRO  64  -0.708 -19.658   1.039
  501   2HG   PRO  64          1HG       PRO  64   0.547 -18.766   1.917
  502   1HD   PRO  64          1HD       PRO  64  -2.068 -18.108   2.064
  503   2HD   PRO  64          2HD       PRO  64  -0.777 -16.892   2.159
  504    HA   PRO  64           HA       PRO  64  -0.329 -16.610  -1.322
  505   1HA   GLY  65          2HA       GLY  65  -2.986 -18.479  -4.266
  506   2HA   GLY  65          1HA       GLY  65  -1.817 -19.767  -4.014
  507    H    GLY  65           H        GLY  65  -0.839 -17.127  -3.348
  508   1HB   PRO  66          2HB       PRO  66  -2.029 -15.415  -8.824
  509   2HB   PRO  66          1HB       PRO  66  -3.136 -16.791  -8.808
  510   1HG   PRO  66          2HG       PRO  66  -2.644 -14.728  -6.693
  511   2HG   PRO  66          1HG       PRO  66  -4.182 -15.406  -7.258
  512   1HD   PRO  66          2HD       PRO  66  -2.957 -16.233  -4.979
  513   2HD   PRO  66          1HD       PRO  66  -3.958 -17.307  -5.976
  514    HA   PRO  66           HA       PRO  66  -1.215 -17.938  -8.275
  515   1HB   ASN  67          2HB       ASN  67   1.161 -14.623 -10.762
  516   2HB   ASN  67          1HB       ASN  67   1.104 -13.116  -9.852
  517   1HD2  ASN  67          1HD2      ASN  67   2.417 -12.613 -11.880
  518   2HD2  ASN  67          2HD2      ASN  67   4.131 -12.744 -11.719
  519    H    ASN  67           H        ASN  67  -0.248 -15.662  -9.425
  520    HA   ASN  67           HA       ASN  67   2.376 -15.530  -8.620
  521   1HB   CYS  68          2HB       CYS  68  -1.669 -13.205  -5.696
  522   2HB   CYS  68          1HB       CYS  68  -1.134 -12.236  -4.327
  523    H    CYS  68           H        CYS  68  -0.354 -13.991  -7.226
  524    HA   CYS  68           HA       CYS  68   0.919 -11.784  -6.001
  525   1HA   GLY  69          2HA       GLY  69   0.677 -16.065  -2.783
  526   2HA   GLY  69          1HA       GLY  69   0.934 -14.509  -2.006
  527    H    GLY  69           H        GLY  69  -0.238 -14.795  -4.470
  528   1HB   PHE  70          2HB       PHE  70   4.743 -12.706  -1.458
  529   2HB   PHE  70          1HB       PHE  70   5.736 -13.772  -0.470
  530    H    PHE  70           H        PHE  70   2.960 -14.081  -1.457
  531    HA   PHE  70           HA       PHE  70   5.159 -14.736  -3.206
  532    HD1  PHE  70           HD1      PHE  70   5.677 -12.376  -3.930
  533    HD2  PHE  70           HD2      PHE  70   8.005 -13.480  -0.544
  534    HE1  PHE  70           HE1      PHE  70   7.698 -11.523  -5.046
  535    HE2  PHE  70           HE2      PHE  70  10.029 -12.630  -1.653
  536    HZ   PHE  70           HZ       PHE  70   9.877 -11.651  -3.907
  537   1HA   GLY  71          1HA       GLY  71   5.708 -18.271  -0.509
  538   2HA   GLY  71          2HA       GLY  71   3.999 -18.665  -0.357
  539    H    GLY  71           H        GLY  71   3.486 -16.353  -0.788
  540   1HB   LYS  72          2HB       LYS  72   6.764 -14.714   2.651
  541   2HB   LYS  72          1HB       LYS  72   6.515 -14.878   4.384
  542   1HG   LYS  72          2HG       LYS  72   7.679 -17.082   4.266
  543   2HG   LYS  72          1HG       LYS  72   8.061 -16.724   2.581
  544   1HD   LYS  72          2HD       LYS  72   9.831 -15.551   3.231
  545   2HD   LYS  72          1HD       LYS  72   8.778 -14.462   4.137
  546   1HE   LYS  72          2HE       LYS  72   9.526 -17.097   5.321
  547   2HE   LYS  72          1HE       LYS  72  10.694 -15.776   5.346
  548    H    LYS  72           H        LYS  72   5.408 -15.826   1.116
  549    HA   LYS  72           HA       LYS  72   5.383 -17.143   3.738
  550   1HZ   LYS  72          1HZ       LYS  72   8.656 -14.464   6.279
  551   2HZ   LYS  72          3HZ       LYS  72   8.120 -16.005   6.729
  552   3HZ   LYS  72          2HZ       LYS  72   9.602 -15.423   7.302
  553    H    THR  73           H        THR  73   4.626 -15.779   5.589
  554    HA   THR  73           HA       THR  73   2.205 -14.294   4.803
  555    HB   THR  73           HB       THR  73   1.557 -14.875   7.283
  556    HG1  THR  73           HG1      THR  73   3.850 -16.162   7.062
  557   1HG2  THR  73          2HG2      THR  73   1.413 -16.621   4.856
  558   2HG2  THR  73          1HG2      THR  73   0.733 -17.175   6.386
  559   3HG2  THR  73          3HG2      THR  73   0.137 -15.692   5.640
  560   1HA   GLY  74          2HA       GLY  74   4.043 -11.175   7.288
  561   2HA   GLY  74          1HA       GLY  74   2.355 -10.683   7.361
  562    H    GLY  74           H        GLY  74   2.066 -12.215   5.357
  563   1HG1  ILE  75          1HG1      ILE  75   2.149  -5.354   5.451
  564   2HG1  ILE  75          2HG1      ILE  75   1.958  -6.323   6.910
  565    H    ILE  75           H        ILE  75   3.499  -8.532   7.182
  566    HA   ILE  75           HA       ILE  75   3.022  -7.405   4.675
  567    HB   ILE  75           HB       ILE  75   4.409  -6.455   7.137
  568   1HG2  ILE  75          2HG2      ILE  75   4.716  -5.268   4.412
  569   2HG2  ILE  75          1HG2      ILE  75   4.671  -4.221   5.829
  570   3HG2  ILE  75          3HG2      ILE  75   5.914  -5.464   5.692
  571   1HD1  ILE  75          1HD1      ILE  75   3.424  -4.390   7.950
  572   2HD1  ILE  75          3HD1      ILE  75   2.733  -3.483   6.605
  573   3HD1  ILE  75          2HD1      ILE  75   1.674  -4.253   7.785
  574   1HG1  ILE  76          2HG1      ILE  76   4.171  -9.441   2.296
  575   2HG1  ILE  76          1HG1      ILE  76   4.070  -9.874   0.594
  576    H    ILE  76           H        ILE  76   4.114  -7.551   2.845
  577    HA   ILE  76           HA       ILE  76   6.905  -8.417   2.895
  578    HB   ILE  76           HB       ILE  76   5.345  -7.991   0.378
  579   1HG2  ILE  76          3HG2      ILE  76   7.781  -8.533   0.379
  580   2HG2  ILE  76          2HG2      ILE  76   7.376 -10.088   1.106
  581   3HG2  ILE  76          1HG2      ILE  76   6.771  -9.683  -0.501
  582   1HD1  ILE  76          2HD1      ILE  76   6.387 -10.988   1.982
  583   2HD1  ILE  76          1HD1      ILE  76   4.825 -11.550   2.576
  584   3HD1  ILE  76          3HD1      ILE  76   5.242 -11.746   0.875
  585   1HB   ASP  77          2HB       ASP  77   6.874  -3.213   3.201
  586   2HB   ASP  77          1HB       ASP  77   7.696  -4.147   4.447
  587    H    ASP  77           H        ASP  77   7.862  -6.455   3.559
  588    HA   ASP  77           HA       ASP  77   7.875  -4.371   1.476
  589   1HB   TYR  78          2HB       TYR  78  11.214  -4.939  -1.026
  590   2HB   TYR  78          1HB       TYR  78  12.867  -4.389  -0.767
  591    H    TYR  78           H        TYR  78   9.744  -4.441   0.435
  592    HA   TYR  78           HA       TYR  78  12.122  -5.509   1.675
  593    HD1  TYR  78           HD1      TYR  78  10.651  -7.350  -0.607
  594    HD2  TYR  78           HD2      TYR  78  14.661  -5.928  -0.643
  595    HE1  TYR  78           HE1      TYR  78  11.459  -9.653  -0.909
  596    HE2  TYR  78           HE2      TYR  78  15.480  -8.226  -0.946
  597    HH   TYR  78           HH       TYR  78  14.919 -10.397  -0.948
  598   1HA   GLY  79          2HA       GLY  79  13.171  -1.377   2.862
  599   2HA   GLY  79          1HA       GLY  79  11.537  -0.800   3.188
  600    H    GLY  79           H        GLY  79  10.703  -2.707   2.158
  601   1HG1  ILE  80          1HG1      ILE  80  11.696   2.836   2.853
  602   2HG1  ILE  80          2HG1      ILE  80  12.401   4.444   2.986
  603    H    ILE  80           H        ILE  80  12.448   1.291   2.521
  604    HA   ILE  80           HA       ILE  80  11.583   2.128   0.056
  605    HB   ILE  80           HB       ILE  80  13.888   3.377   1.547
  606   1HG2  ILE  80          3HG2      ILE  80  12.032   4.290  -0.600
  607   2HG2  ILE  80          2HG2      ILE  80  12.646   5.463   0.566
  608   3HG2  ILE  80          1HG2      ILE  80  13.770   4.538  -0.430
  609   1HD1  ILE  80          3HD1      ILE  80  10.124   3.687   1.175
  610   2HD1  ILE  80          2HD1      ILE  80   9.977   4.512   2.726
  611   3HD1  ILE  80          1HD1      ILE  80  10.803   5.301   1.382
  612   1HB   ARG  81          2HB       ARG  81  13.211   1.778  -4.641
  613   2HB   ARG  81          1HB       ARG  81  14.316   0.420  -4.467
  614   1HG   ARG  81          2HG       ARG  81  12.083   0.520  -2.546
  615   2HG   ARG  81          1HG       ARG  81  11.654   0.216  -4.232
  616   1HD   ARG  81          2HD       ARG  81  13.697  -1.336  -2.646
  617   2HD   ARG  81          1HD       ARG  81  12.044  -1.860  -2.963
  618   1HH1  ARG  81          1HH1      ARG  81  10.990  -2.664  -4.057
  619   2HH1  ARG  81          2HH1      ARG  81  10.775  -3.646  -5.466
  620   1HH2  ARG  81          1HH2      ARG  81  13.921  -2.921  -6.809
  621   2HH2  ARG  81          2HH2      ARG  81  12.442  -3.794  -7.032
  622    H    ARG  81           H        ARG  81  12.530   2.527  -1.937
  623    HA   ARG  81           HA       ARG  81  15.075   1.118  -2.404
  624    HE   ARG  81           HE       ARG  81  14.195  -1.631  -4.947
  625   1HB   LEU  82          2HB       LEU  82  17.246   4.297  -2.997
  626   2HB   LEU  82          1HB       LEU  82  17.330   5.894  -3.711
  627    H    LEU  82           H        LEU  82  14.373   4.029  -1.674
  628    HA   LEU  82           HA       LEU  82  15.090   6.130  -2.182
  629    HG   LEU  82           HG       LEU  82  18.685   5.787  -1.699
  630   1HD1  LEU  82          3HD1      LEU  82  17.574   7.899  -2.252
  631   2HD1  LEU  82          2HD1      LEU  82  16.195   7.428  -1.259
  632   3HD1  LEU  82          1HD1      LEU  82  17.769   7.698  -0.510
  633   1HD2  LEU  82          2HD2      LEU  82  16.746   4.113  -0.727
  634   2HD2  LEU  82          1HD2      LEU  82  18.061   4.818   0.212
  635   3HD2  LEU  82          3HD2      LEU  82  16.477   5.593   0.193
  636   1HB   ASN  83          2HB       ASN  83  14.964   4.968  -7.142
  637   2HB   ASN  83          1HB       ASN  83  13.793   3.685  -6.846
  638   1HD2  ASN  83          2HD2      ASN  83  14.256   6.711  -8.596
  639   2HD2  ASN  83          1HD2      ASN  83  13.275   6.283  -9.951
  640    H    ASN  83           H        ASN  83  13.346   4.635  -4.128
  641    HA   ASN  83           HA       ASN  83  13.453   6.626  -6.219
  642   1HB   ARG  84          2HB       ARG  84   8.948   8.385  -5.655
  643   2HB   ARG  84          1HB       ARG  84   7.979   7.359  -4.607
  644   1HG   ARG  84          2HG       ARG  84   9.139   8.355  -2.973
  645   2HG   ARG  84          1HG       ARG  84  10.387   7.183  -3.393
  646   1HD   ARG  84          2HD       ARG  84  11.695   8.992  -3.618
  647   2HD   ARG  84          1HD       ARG  84  10.899   9.154  -5.183
  648   1HH1  ARG  84          1HH1      ARG  84  11.615   9.495  -1.856
  649   2HH1  ARG  84          2HH1      ARG  84  11.407  10.814  -0.752
  650   1HH2  ARG  84          2HH2      ARG  84   9.380  12.679  -2.905
  651   2HH2  ARG  84          1HH2      ARG  84  10.138  12.622  -1.348
  652    H    ARG  84           H        ARG  84  11.433   7.252  -5.438
  653    HA   ARG  84           HA       ARG  84   9.264   5.457  -5.082
  654    HE   ARG  84           HE       ARG  84   9.660  10.937  -4.352
  655   1HB   SER  85          2HB       SER  85  11.386   5.703  -9.804
  656   2HB   SER  85          1HB       SER  85  10.401   5.142 -11.156
  657    H    SER  85           H        SER  85  10.636   5.376  -7.726
  658    HA   SER  85           HA       SER  85   8.499   6.232  -9.531
  659    HG   SER  85           HG       SER  85  10.914   7.237 -11.595
  660   1HB   GLU  86          2HB       GLU  86   7.392   1.323  -6.740
  661   2HB   GLU  86          1HB       GLU  86   8.498   0.196  -7.509
  662   1HG   GLU  86          2HG       GLU  86   9.568   2.830  -6.668
  663   2HG   GLU  86          1HG       GLU  86   9.197   1.643  -5.417
  664    H    GLU  86           H        GLU  86   8.869   3.694  -7.653
  665    HA   GLU  86           HA       GLU  86   8.718   1.469  -9.396
  666   1HB   ARG  87          2HB       ARG  87   4.960  -1.135 -10.979
  667   2HB   ARG  87          1HB       ARG  87   3.671  -0.046 -11.465
  668   1HG   ARG  87          2HG       ARG  87   5.052   0.582 -13.091
  669   2HG   ARG  87          1HG       ARG  87   5.898   1.495 -11.841
  670   1HD   ARG  87          2HD       ARG  87   7.685   0.319 -12.534
  671   2HD   ARG  87          1HD       ARG  87   7.009  -0.947 -11.509
  672   1HH1  ARG  87          2HH1      ARG  87   9.041  -1.361 -12.645
  673   2HH1  ARG  87          1HH1      ARG  87   9.627  -2.499 -13.811
  674   1HH2  ARG  87          1HH2      ARG  87   6.595  -2.733 -15.537
  675   2HH2  ARG  87          2HH2      ARG  87   8.236  -3.280 -15.455
  676    H    ARG  87           H        ARG  87   6.721  -0.033  -9.257
  677    HA   ARG  87           HA       ARG  87   4.326   1.583  -9.829
  678    HE   ARG  87           HE       ARG  87   5.834  -1.235 -13.997
  679   1HB   TRP  88          2HB       TRP  88   3.929   0.896  -5.128
  680   2HB   TRP  88          1HB       TRP  88   2.955  -0.416  -4.479
  681    H    TRP  88           H        TRP  88   3.702   1.453  -7.618
  682    HA   TRP  88           HA       TRP  88   2.604  -1.179  -6.873
  683    HD1  TRP  88           HD1      TRP  88   6.388   0.369  -4.860
  684    HE1  TRP  88           HE1      TRP  88   7.872  -1.725  -5.030
  685    HE3  TRP  88           HE3      TRP  88   2.783  -3.085  -5.939
  686    HZ2  TRP  88           HZ2      TRP  88   7.549  -4.487  -5.547
  687    HZ3  TRP  88           HZ3      TRP  88   3.453  -5.431  -6.260
  688    HH2  TRP  88           HH2      TRP  88   5.789  -6.115  -6.069
  689   1HB   ASP  89          2HB       ASP  89  -2.486  -0.560  -5.489
  690   2HB   ASP  89          1HB       ASP  89  -1.161  -1.503  -4.819
  691    H    ASP  89           H        ASP  89   0.916  -0.830  -5.019
  692    HA   ASP  89           HA       ASP  89  -1.040   1.047  -6.065
  693    H    ALA  90           H        ALA  90  -2.545   1.668  -3.901
  694    HA   ALA  90           HA       ALA  90  -0.718   3.073  -2.071
  695   1HB   ALA  90          3HB       ALA  90  -1.268   4.831  -3.462
  696   2HB   ALA  90          1HB       ALA  90  -2.480   4.973  -2.188
  697   3HB   ALA  90          2HB       ALA  90  -2.908   4.240  -3.734
  698   1HB   TYR  91          2HB       TYR  91  -1.039   1.874   2.060
  699   2HB   TYR  91          1HB       TYR  91  -2.452   1.503   3.040
  700    H    TYR  91           H        TYR  91  -1.167   2.684  -0.018
  701    HA   TYR  91           HA       TYR  91  -3.643   1.357   0.689
  702    HD1  TYR  91           HD1      TYR  91  -3.865  -0.514   1.569
  703    HD2  TYR  91           HD2      TYR  91   0.333   0.014   2.005
  704    HE1  TYR  91           HE1      TYR  91  -3.530  -2.913   1.159
  705    HE2  TYR  91           HE2      TYR  91   0.684  -2.385   1.593
  706    HH   TYR  91           HH       TYR  91  -0.437  -4.258   0.560
  707   1HB   CYS  92          2HB       CYS  92  -6.991   4.165   0.150
  708   2HB   CYS  92          1HB       CYS  92  -7.411   5.606   1.069
  709    H    CYS  92           H        CYS  92  -4.919   3.295   0.131
  710    HA   CYS  92           HA       CYS  92  -4.799   5.732   1.437
  711   1HB   TYR  93          2HB       TYR  93  -4.929   4.868   5.630
  712   2HB   TYR  93          1HB       TYR  93  -5.134   6.591   5.935
  713    H    TYR  93           H        TYR  93  -6.185   6.609   3.112
  714    HA   TYR  93           HA       TYR  93  -7.369   4.774   5.009
  715    HD1  TYR  93           HD1      TYR  93  -7.412   7.003   7.460
  716    HD2  TYR  93           HD2      TYR  93  -4.876   3.586   7.540
  717    HE1  TYR  93           HE1      TYR  93  -8.160   6.512   9.748
  718    HE2  TYR  93           HE2      TYR  93  -5.618   3.084   9.829
  719    HH   TYR  93           HH       TYR  93  -6.998   5.147  11.812
  720   1HB   ASN  94          2HB       ASN  94  -9.955   7.748   3.822
  721   2HB   ASN  94          1HB       ASN  94 -11.456   8.153   4.650
  722   1HD2  ASN  94          2HD2      ASN  94 -11.851  10.067   3.705
  723   2HD2  ASN  94          1HD2      ASN  94 -10.836  11.459   3.857
  724    H    ASN  94           H        ASN  94  -9.159   5.681   5.789
  725    HA   ASN  94           HA       ASN  94  -9.301   8.448   6.499
  726   1HB   PRO  95          2HB       PRO  95 -12.839   8.496  10.638
  727   2HB   PRO  95          1HB       PRO  95 -11.384   7.538  10.936
  728   1HG   PRO  95          2HG       PRO  95 -11.692  10.107   9.442
  729   2HG   PRO  95          1HG       PRO  95 -10.405   9.604  10.551
  730   1HD   PRO  95          2HD       PRO  95 -10.097   9.563   7.872
  731   2HD   PRO  95          1HD       PRO  95  -9.323   8.367   8.931
  732    HA   PRO  95           HA       PRO  95 -12.135   6.275   9.184
  733   1HB   HIS  96          2HB       HIS  96 -14.650  10.669   7.350
  734   2HB   HIS  96          1HB       HIS  96 -14.258  10.493   5.641
  735    H    HIS  96           H        HIS  96 -12.756   8.543   6.794
  736    HA   HIS  96           HA       HIS  96 -15.662   8.352   7.241
  737    HD1  HIS  96           HD1      HIS  96 -15.850  12.545   5.195
  738    HD2  HIS  96           HD2      HIS  96 -17.723   9.145   6.676
  739    HE1  HIS  96           HE1      HIS  96 -18.306  12.902   4.794
  740    HE2  HIS  96           HE2      HIS  96 -19.426  10.871   5.778
  741    H    ALA  97           H        ALA  97 -13.102   7.371   5.317
  742    HA   ALA  97           HA       ALA  97 -14.551   7.230   2.820
  743   1HB   ALA  97          3HB       ALA  97 -11.848   6.205   3.666
  744   2HB   ALA  97          1HB       ALA  97 -12.207   7.598   2.645
  745   3HB   ALA  97          2HB       ALA  97 -12.520   5.967   2.053
  746   1HB   LYS  98          2HB       LYS  98 -14.801   3.470   5.734
  747   2HB   LYS  98          1HB       LYS  98 -16.400   3.501   6.466
  748   1HG   LYS  98          2HG       LYS  98 -16.560   1.302   6.291
  749   2HG   LYS  98          1HG       LYS  98 -16.297   1.391   4.548
  750   1HD   LYS  98          2HD       LYS  98 -13.999   1.090   4.753
  751   2HD   LYS  98          1HD       LYS  98 -13.988   1.586   6.446
  752   1HE   LYS  98          2HE       LYS  98 -15.109  -0.978   5.323
  753   2HE   LYS  98          1HE       LYS  98 -13.645  -0.803   6.289
  754    H    LYS  98           H        LYS  98 -16.186   5.998   4.446
  755    HA   LYS  98           HA       LYS  98 -16.189   3.285   3.494
  756   1HZ   LYS  98          2HZ       LYS  98 -15.022  -0.012   8.130
  757   2HZ   LYS  98          1HZ       LYS  98 -16.416  -0.250   7.202
  758   3HZ   LYS  98          3HZ       LYS  98 -15.462  -1.573   7.651

  No H/Q in entry =         758
  Start of MODEL    9
    1   1HA   GLY   1          2HA       GLY   1  -9.335   1.782   8.663
    2   2HA   GLY   1          1HA       GLY   1  -9.799   3.457   8.409
    3    H1   GLY   1          3H        GLY   1 -11.158   1.208   7.045
    4    H2   GLY   1          2H        GLY   1 -11.661   1.804   8.546
    5    H3   GLY   1          1H        GLY   1 -11.684   2.811   7.186
    6    H    VAL   2           H        VAL   2  -7.504   1.411   7.607
    7    HA   VAL   2           HA       VAL   2  -6.795   2.848   5.222
    8    HB   VAL   2           HB       VAL   2  -4.934   2.377   6.530
    9   1HG1  VAL   2          2HG1      VAL   2  -6.414  -0.013   7.224
   10   2HG1  VAL   2          1HG1      VAL   2  -4.708  -0.354   6.937
   11   3HG1  VAL   2          3HG1      VAL   2  -5.176   0.854   8.135
   12   1HG2  VAL   2          2HG2      VAL   2  -5.033   1.350   4.002
   13   2HG2  VAL   2          1HG2      VAL   2  -3.572   1.510   4.977
   14   3HG2  VAL   2          3HG2      VAL   2  -4.442  -0.024   4.936
   15   1HB   TYR   3          2HB       TYR   3  -9.247   0.443   0.721
   16   2HB   TYR   3          1HB       TYR   3  -9.869   0.530   2.363
   17    H    TYR   3           H        TYR   3  -7.086   2.255   3.167
   18    HA   TYR   3           HA       TYR   3  -7.806  -0.539   2.611
   19    HD1  TYR   3           HD1      TYR   3  -8.612   2.866   3.510
   20    HD2  TYR   3           HD2      TYR   3 -10.010   2.259  -0.462
   21    HE1  TYR   3           HE1      TYR   3  -8.942   5.290   3.262
   22    HE2  TYR   3           HE2      TYR   3 -10.336   4.682  -0.724
   23    HH   TYR   3           HH       TYR   3  -9.730   6.732   0.189
   24   1HB   HIS   4          2HB       HIS   4  -4.334  -2.095  -0.936
   25   2HB   HIS   4          1HB       HIS   4  -5.887  -2.658  -0.331
   26    H    HIS   4           H        HIS   4  -7.479  -1.168   0.340
   27    HA   HIS   4           HA       HIS   4  -4.993   0.018  -0.658
   28    HD1  HIS   4           HD1      HIS   4  -7.706  -3.255  -2.122
   29    HD2  HIS   4           HD2      HIS   4  -3.957  -2.351  -3.668
   30    HE1  HIS   4           HE1      HIS   4  -7.750  -4.058  -4.504
   31    HE2  HIS   4           HE2      HIS   4  -5.453  -3.549  -5.405
   32   1HB   ARG   5          2HB       ARG   5  -5.977   3.193  -3.458
   33   2HB   ARG   5          1HB       ARG   5  -6.876   3.090  -4.966
   34   1HG   ARG   5          2HG       ARG   5  -7.956   2.012  -2.381
   35   2HG   ARG   5          1HG       ARG   5  -8.184   3.689  -2.883
   36   1HD   ARG   5          2HD       ARG   5  -9.025   2.593  -5.105
   37   2HD   ARG   5          1HD       ARG   5  -9.277   1.184  -4.078
   38   1HH1  ARG   5          2HH1      ARG   5 -10.692   0.344  -3.860
   39   2HH1  ARG   5          1HH1      ARG   5 -12.341   0.250  -3.342
   40   1HH2  ARG   5          2HH2      ARG   5 -12.670   3.689  -2.802
   41   2HH2  ARG   5          1HH2      ARG   5 -13.467   2.152  -2.741
   42    H    ARG   5           H        ARG   5  -4.776   0.812  -2.697
   43    HA   ARG   5           HA       ARG   5  -6.995   0.582  -4.575
   44    HE   ARG   5           HE       ARG   5 -10.497   3.801  -3.485
   45   1HB   GLU   6          2HB       GLU   6  -3.902  -0.295  -9.176
   46   2HB   GLU   6          1HB       GLU   6  -4.970  -1.006  -7.976
   47   1HG   GLU   6          2HG       GLU   6  -5.910   1.097  -9.892
   48   2HG   GLU   6          1HG       GLU   6  -5.914  -0.619 -10.300
   49    H    GLU   6           H        GLU   6  -6.416   0.925  -6.727
   50    HA   GLU   6           HA       GLU   6  -3.519   0.936  -7.204
   51    H    ALA   7           H        ALA   7  -3.426   1.572  -9.844
   52    HA   ALA   7           HA       ALA   7  -3.898   4.434  -9.751
   53   1HB   ALA   7          3HB       ALA   7  -2.075   4.547 -11.015
   54   2HB   ALA   7          2HB       ALA   7  -1.945   2.791 -10.903
   55   3HB   ALA   7          1HB       ALA   7  -2.811   3.528 -12.253
   56   1HB   ARG   8          2HB       ARG   8  -5.824   6.864 -13.461
   57   2HB   ARG   8          1HB       ARG   8  -7.526   6.548 -13.772
   58   1HG   ARG   8          2HG       ARG   8  -7.774   6.690 -11.202
   59   2HG   ARG   8          1HG       ARG   8  -6.210   7.503 -11.267
   60   1HD   ARG   8          2HD       ARG   8  -8.711   8.337 -12.731
   61   2HD   ARG   8          1HD       ARG   8  -8.035   9.117 -11.301
   62   1HH1  ARG   8          1HH1      ARG   8  -8.015  10.818 -11.269
   63   2HH1  ARG   8          2HH1      ARG   8  -7.304  12.319 -11.760
   64   1HH2  ARG   8          1HH2      ARG   8  -5.547  10.941 -14.450
   65   2HH2  ARG   8          2HH2      ARG   8  -5.901  12.389 -13.568
   66    H    ARG   8           H        ARG   8  -4.831   5.572 -11.612
   67    HA   ARG   8           HA       ARG   8  -7.390   4.573 -12.261
   68    HE   ARG   8           HE       ARG   8  -6.487   8.969 -13.796
   69   1HB   SER   9          2HB       SER   9  -2.685   2.748 -16.164
   70   2HB   SER   9          1HB       SER   9  -3.565   4.003 -17.035
   71    H    SER   9           H        SER   9  -4.348   3.979 -13.617
   72    HA   SER   9           HA       SER   9  -5.484   3.204 -16.207
   73    HG   SER   9           HG       SER   9  -1.857   4.428 -15.186
   74   1HA   GLY  10          2HA       GLY  10  -3.597  -0.714 -14.403
   75   2HA   GLY  10          1HA       GLY  10  -5.054  -0.593 -13.427
   76    H    GLY  10           H        GLY  10  -4.022   1.918 -13.313
   77   1HB   LYS  11          2HB       LYS  11  -3.983  -3.004  -9.686
   78   2HB   LYS  11          1HB       LYS  11  -2.946  -3.949 -10.728
   79   1HG   LYS  11          2HG       LYS  11  -1.190  -3.967  -9.118
   80   2HG   LYS  11          1HG       LYS  11  -2.048  -2.801  -8.106
   81   1HD   LYS  11          2HD       LYS  11  -2.592  -4.735  -7.015
   82   2HD   LYS  11          1HD       LYS  11  -3.925  -4.658  -8.167
   83   1HE   LYS  11          2HE       LYS  11  -3.100  -6.883  -8.213
   84   2HE   LYS  11          1HE       LYS  11  -2.557  -6.102  -9.698
   85    H    LYS  11           H        LYS  11  -3.665  -2.315 -12.301
   86    HA   LYS  11           HA       LYS  11  -2.554  -1.097  -9.951
   87   1HZ   LYS  11          1HZ       LYS  11  -0.874  -6.336  -7.268
   88   2HZ   LYS  11          3HZ       LYS  11  -0.840  -7.455  -8.536
   89   3HZ   LYS  11          2HZ       LYS  11  -0.387  -5.850  -8.813
   90   1HB   TYR  12          2HB       TYR  12   0.986  -3.730 -11.179
   91   2HB   TYR  12          1HB       TYR  12   2.689  -3.340 -10.962
   92    H    TYR  12           H        TYR  12  -0.468  -1.515  -9.082
   93    HA   TYR  12           HA       TYR  12   1.797  -1.673  -9.155
   94    HD1  TYR  12           HD1      TYR  12   0.811  -2.964  -7.950
   95    HD2  TYR  12           HD2      TYR  12   2.774  -5.841 -10.394
   96    HE1  TYR  12           HE1      TYR  12   0.926  -4.504  -6.037
   97    HE2  TYR  12           HE2      TYR  12   2.889  -7.390  -8.489
   98    HH   TYR  12           HH       TYR  12   2.865  -7.267  -6.012
   99   1HB   LYS  13          2HB       LYS  13   1.776   2.012 -13.837
  100   2HB   LYS  13          1HB       LYS  13   1.436   0.314 -13.540
  101   1HG   LYS  13          2HG       LYS  13  -0.649   0.755 -12.645
  102   2HG   LYS  13          1HG       LYS  13  -0.242   2.428 -12.261
  103   1HD   LYS  13          2HD       LYS  13  -1.624   2.673 -14.100
  104   2HD   LYS  13          1HD       LYS  13  -0.020   2.694 -14.835
  105   1HE   LYS  13          2HE       LYS  13  -0.822  -0.006 -14.682
  106   2HE   LYS  13          1HE       LYS  13  -2.196   0.903 -15.311
  107    H    LYS  13           H        LYS  13   1.221   0.618 -10.081
  108    HA   LYS  13           HA       LYS  13   3.175   1.216 -12.029
  109   1HZ   LYS  13          3HZ       LYS  13  -0.319   1.954 -16.795
  110   2HZ   LYS  13          2HZ       LYS  13   0.449   0.480 -16.487
  111   3HZ   LYS  13          1HZ       LYS  13  -1.071   0.502 -17.228
  112   1HB   LEU  14          2HB       LEU  14   0.464   2.843  -7.825
  113   2HB   LEU  14          1HB       LEU  14   0.872   4.426  -7.195
  114    H    LEU  14           H        LEU  14   1.728   1.954  -9.395
  115    HA   LEU  14           HA       LEU  14   1.262   4.803  -9.867
  116    HG   LEU  14           HG       LEU  14  -1.297   3.731  -9.165
  117   1HD1  LEU  14          3HD1      LEU  14  -1.167   4.169  -6.328
  118   2HD1  LEU  14          2HD1      LEU  14  -2.215   5.366  -7.092
  119   3HD1  LEU  14          1HD1      LEU  14  -2.528   3.645  -7.321
  120   1HD2  LEU  14          1HD2      LEU  14   0.194   6.201  -8.881
  121   2HD2  LEU  14          3HD2      LEU  14  -0.984   5.725 -10.104
  122   3HD2  LEU  14          2HD2      LEU  14  -1.530   6.422  -8.579
  123    H    THR  15           H        THR  15   2.270   6.406  -8.532
  124    HA   THR  15           HA       THR  15   4.952   5.599  -7.616
  125    HB   THR  15           HB       THR  15   5.736   7.831  -8.111
  126    HG1  THR  15           HG1      THR  15   3.853   9.021  -7.668
  127   1HG2  THR  15          3HG2      THR  15   5.682   6.190  -9.962
  128   2HG2  THR  15          2HG2      THR  15   4.104   6.814 -10.441
  129   3HG2  THR  15          1HG2      THR  15   5.527   7.853 -10.527
  130   1HB   TYR  16          2HB       TYR  16   6.568   7.961  -3.847
  131   2HB   TYR  16          1HB       TYR  16   6.314   9.584  -4.480
  132    H    TYR  16           H        TYR  16   5.535   8.059  -6.315
  133    HA   TYR  16           HA       TYR  16   4.126   7.597  -3.832
  134    HD1  TYR  16           HD1      TYR  16   5.218   7.459  -1.604
  135    HD2  TYR  16           HD2      TYR  16   6.307  11.336  -2.978
  136    HE1  TYR  16           HE1      TYR  16   5.038   8.315   0.691
  137    HE2  TYR  16           HE2      TYR  16   6.127  12.204  -0.684
  138    HH   TYR  16           HH       TYR  16   4.865  11.544   1.441
  139    H    ALA  17           H        ALA  17   4.798  10.470  -5.827
  140    HA   ALA  17           HA       ALA  17   2.978  12.163  -4.512
  141   1HB   ALA  17          2HB       ALA  17   4.839  12.919  -5.969
  142   2HB   ALA  17          1HB       ALA  17   3.918  12.366  -7.368
  143   3HB   ALA  17          3HB       ALA  17   3.292  13.671  -6.360
  144   1HB   GLU  18          2HB       GLU  18   1.610   8.214  -8.376
  145   2HB   GLU  18          1HB       GLU  18  -0.041   8.368  -8.961
  146   1HG   GLU  18          2HG       GLU  18   0.526  10.066 -10.463
  147   2HG   GLU  18          1HG       GLU  18   2.069  10.374  -9.666
  148    H    GLU  18           H        GLU  18   2.603   9.842  -7.088
  149    HA   GLU  18           HA       GLU  18   0.028  10.740  -7.949
  150    H    ALA  19           H        ALA  19   1.140   7.991  -5.998
  151    HA   ALA  19           HA       ALA  19  -1.328   6.930  -5.313
  152   1HB   ALA  19          1HB       ALA  19   0.156   5.485  -4.483
  153   2HB   ALA  19          2HB       ALA  19   0.241   6.536  -3.070
  154   3HB   ALA  19          3HB       ALA  19   1.409   6.722  -4.380
  155   1HB   LYS  20          2HB       LYS  20   1.265  10.693  -1.831
  156   2HB   LYS  20          1HB       LYS  20   0.524  11.967  -2.786
  157   1HG   LYS  20          2HG       LYS  20  -0.550  12.897  -0.935
  158   2HG   LYS  20          1HG       LYS  20  -0.338  11.435   0.033
  159   1HD   LYS  20          2HD       LYS  20   2.180  12.584  -0.892
  160   2HD   LYS  20          1HD       LYS  20   1.249  13.676   0.136
  161   1HE   LYS  20          2HE       LYS  20   1.101  11.151   1.350
  162   2HE   LYS  20          1HE       LYS  20   2.782  11.356   0.858
  163    H    LYS  20           H        LYS  20   0.587   9.390  -3.632
  164    HA   LYS  20           HA       LYS  20  -1.091   9.799  -1.459
  165   1HZ   LYS  20          3HZ       LYS  20   1.237  13.320   2.461
  166   2HZ   LYS  20          2HZ       LYS  20   2.338  12.206   3.098
  167   3HZ   LYS  20          1HZ       LYS  20   2.876  13.425   2.055
  168    H    ALA  21           H        ALA  21  -1.094  11.268  -4.670
  169    HA   ALA  21           HA       ALA  21  -3.167  13.133  -4.138
  170   1HB   ALA  21          2HB       ALA  21  -3.151  13.605  -6.449
  171   2HB   ALA  21          1HB       ALA  21  -1.483  13.206  -6.038
  172   3HB   ALA  21          3HB       ALA  21  -2.501  12.016  -6.850
  173    H    VAL  22           H        VAL  22  -3.142   9.884  -5.565
  174    HA   VAL  22           HA       VAL  22  -5.773   9.670  -6.363
  175    HB   VAL  22           HB       VAL  22  -3.675   7.777  -5.520
  176   1HG1  VAL  22          2HG1      VAL  22  -6.575   6.968  -5.519
  177   2HG1  VAL  22          1HG1      VAL  22  -5.201   5.864  -5.440
  178   3HG1  VAL  22          3HG1      VAL  22  -5.495   7.001  -4.123
  179   1HG2  VAL  22          2HG2      VAL  22  -4.019   8.399  -7.848
  180   2HG2  VAL  22          1HG2      VAL  22  -4.318   6.677  -7.608
  181   3HG2  VAL  22          3HG2      VAL  22  -5.674   7.793  -7.777
  182   1HB   CYS  23          2HB       CYS  23  -4.054   8.623  -1.282
  183   2HB   CYS  23          1HB       CYS  23  -4.681   9.912  -0.287
  184    H    CYS  23           H        CYS  23  -4.357   9.403  -3.170
  185    HA   CYS  23           HA       CYS  23  -6.742   8.555  -1.843
  186   1HB   GLU  24          2HB       GLU  24  -4.167  13.456  -1.810
  187   2HB   GLU  24          1HB       GLU  24  -5.292  14.805  -1.902
  188   1HG   GLU  24          2HG       GLU  24  -5.167  15.078   0.520
  189   2HG   GLU  24          1HG       GLU  24  -4.046  13.722   0.616
  190    H    GLU  24           H        GLU  24  -4.756  11.441  -1.463
  191    HA   GLU  24           HA       GLU  24  -6.424  13.051  -0.041
  192   1HB   PHE  25          2HB       PHE  25  -7.174  13.534  -5.667
  193   2HB   PHE  25          1HB       PHE  25  -7.855  11.912  -5.642
  194    H    PHE  25           H        PHE  25  -6.766  12.173  -3.384
  195    HA   PHE  25           HA       PHE  25  -8.772  14.207  -3.897
  196    HD1  PHE  25           HD1      PHE  25  -8.501  15.423  -6.508
  197    HD2  PHE  25           HD2      PHE  25  -9.924  11.418  -6.711
  198    HE1  PHE  25           HE1      PHE  25 -10.185  16.110  -8.165
  199    HE2  PHE  25           HE2      PHE  25 -11.611  12.097  -8.369
  200    HZ   PHE  25           HZ       PHE  25 -11.743  14.446  -9.097
  201   1HB   GLU  26          2HB       GLU  26  -9.150   8.575  -3.082
  202   2HB   GLU  26          1HB       GLU  26 -10.805   8.033  -2.849
  203   1HG   GLU  26          2HG       GLU  26 -10.781   9.233  -5.363
  204   2HG   GLU  26          1HG       GLU  26  -9.288   8.301  -5.274
  205    H    GLU  26           H        GLU  26  -8.585  10.768  -3.247
  206    HA   GLU  26           HA       GLU  26 -11.449  10.425  -3.623
  207   1HA   GLY  27          1HA       GLY  27 -11.946  11.303   0.660
  208   2HA   GLY  27          2HA       GLY  27 -10.676  12.514   0.784
  209    H    GLY  27           H        GLY  27 -10.113  12.028  -1.396
  210   1HA   GLY  28          2HA       GLY  28  -8.038   8.920   1.918
  211   2HA   GLY  28          1HA       GLY  28  -8.159  10.060   3.254
  212    H    GLY  28           H        GLY  28  -8.403  11.538   0.909
  213   1HB   HIS  29          2HB       HIS  29  -3.662  10.286   4.722
  214   2HB   HIS  29          1HB       HIS  29  -2.700  11.218   3.579
  215    H    HIS  29           H        HIS  29  -5.883   8.951   3.365
  216    HA   HIS  29           HA       HIS  29  -3.938  10.391   1.719
  217    HD1  HIS  29           HD1      HIS  29  -5.706  11.391   5.670
  218    HD2  HIS  29           HD2      HIS  29  -4.115  13.471   2.443
  219    HE1  HIS  29           HE1      HIS  29  -6.974  13.559   5.578
  220    HE2  HIS  29           HE2      HIS  29  -5.937  14.837   3.669
  221   1HB   LEU  30          2HB       LEU  30   0.553   8.742   2.348
  222   2HB   LEU  30          1HB       LEU  30   0.855   7.045   2.052
  223    H    LEU  30           H        LEU  30  -1.672   9.549   2.144
  224    HA   LEU  30           HA       LEU  30  -1.645   6.748   1.818
  225    HG   LEU  30           HG       LEU  30  -0.327   9.044   0.131
  226   1HD1  LEU  30          3HD1      LEU  30   2.164   8.977   0.490
  227   2HD1  LEU  30          2HD1      LEU  30   2.134   7.336  -0.155
  228   3HD1  LEU  30          1HD1      LEU  30   1.624   8.689  -1.164
  229   1HD2  LEU  30          2HD2      LEU  30  -1.176   6.495   0.247
  230   2HD2  LEU  30          1HD2      LEU  30  -1.040   7.415  -1.252
  231   3HD2  LEU  30          3HD2      LEU  30   0.245   6.303  -0.781
  232    H    ALA  31           H        ALA  31  -1.965   5.286   3.356
  233    HA   ALA  31           HA       ALA  31  -1.972   5.805   6.106
  234   1HB   ALA  31          3HB       ALA  31  -2.087   3.371   4.426
  235   2HB   ALA  31          2HB       ALA  31  -1.681   3.166   6.131
  236   3HB   ALA  31          1HB       ALA  31  -3.196   3.946   5.673
  237    H    THR  32           H        THR  32  -0.611   3.752   7.310
  238    HA   THR  32           HA       THR  32   2.222   4.258   6.722
  239    HB   THR  32           HB       THR  32   2.728   5.102   8.746
  240    HG1  THR  32           HG1      THR  32   1.657   4.369  10.691
  241   1HG2  THR  32          1HG2      THR  32  -0.222   5.586   8.517
  242   2HG2  THR  32          3HG2      THR  32   0.701   6.228   9.875
  243   3HG2  THR  32          2HG2      THR  32   1.111   6.703   8.227
  244   1HB   TYR  33          2HB       TYR  33   5.318   1.173   7.956
  245   2HB   TYR  33          1HB       TYR  33   4.935   0.884   9.647
  246    H    TYR  33           H        TYR  33   3.645   2.751   8.063
  247    HA   TYR  33           HA       TYR  33   3.037   0.096   7.447
  248    HD1  TYR  33           HD1      TYR  33   5.475  -0.804   6.391
  249    HD2  TYR  33           HD2      TYR  33   5.228  -1.242  10.616
  250    HE1  TYR  33           HE1      TYR  33   6.344  -3.096   6.198
  251    HE2  TYR  33           HE2      TYR  33   6.095  -3.536  10.434
  252    HH   TYR  33           HH       TYR  33   7.006  -5.059   9.071
  253   1HB   LYS  34          2HB       LYS  34   2.643   2.313  12.552
  254   2HB   LYS  34          1HB       LYS  34   0.986   2.043  13.069
  255   1HG   LYS  34          2HG       LYS  34   2.313  -0.047  14.237
  256   2HG   LYS  34          1HG       LYS  34   3.493   1.261  14.327
  257   1HD   LYS  34          2HD       LYS  34   0.687   1.877  15.078
  258   2HD   LYS  34          1HD       LYS  34   1.639   0.897  16.195
  259   1HE   LYS  34          2HE       LYS  34   3.433   2.787  15.764
  260   2HE   LYS  34          1HE       LYS  34   1.999   3.731  15.364
  261    H    LYS  34           H        LYS  34   3.068   1.694  10.625
  262    HA   LYS  34           HA       LYS  34   2.180  -0.429  12.165
  263   1HZ   LYS  34          3HZ       LYS  34   1.884   2.190  17.828
  264   2HZ   LYS  34          2HZ       LYS  34   2.942   3.510  17.825
  265   3HZ   LYS  34          1HZ       LYS  34   1.301   3.743  17.493
  266   1HB   GLN  35          2HB       GLN  35  -1.497   2.450   8.640
  267   2HB   GLN  35          1HB       GLN  35  -3.103   2.397   9.346
  268   1HG   GLN  35          2HG       GLN  35  -2.231   3.688  11.283
  269   2HG   GLN  35          1HG       GLN  35  -0.702   3.850  10.421
  270   1HE2  GLN  35          1HE2      GLN  35  -2.983   5.711  11.292
  271   2HE2  GLN  35          2HE2      GLN  35  -3.274   6.668   9.884
  272    H    GLN  35           H        GLN  35   0.274   2.022  10.443
  273    HA   GLN  35           HA       GLN  35  -2.256   1.146  11.261
  274   1HB   LEU  36          2HB       LEU  36   0.898  -1.034   7.278
  275   2HB   LEU  36          1HB       LEU  36   0.603  -2.755   7.136
  276    H    LEU  36           H        LEU  36  -0.097   0.067   8.720
  277    HA   LEU  36           HA       LEU  36  -1.937  -1.550   7.310
  278    HG   LEU  36           HG       LEU  36   0.790  -1.767   4.936
  279   1HD1  LEU  36          3HD1      LEU  36  -1.432  -3.255   5.856
  280   2HD1  LEU  36          2HD1      LEU  36  -2.018  -2.111   4.647
  281   3HD1  LEU  36          1HD1      LEU  36  -0.719  -3.232   4.243
  282   1HD2  LEU  36          2HD2      LEU  36  -0.635   0.373   6.125
  283   2HD2  LEU  36          1HD2      LEU  36   0.082   0.287   4.516
  284   3HD2  LEU  36          3HD2      LEU  36  -1.587  -0.227   4.767
  285   1HB   GLU  37          2HB       GLU  37   1.383  -3.482  11.671
  286   2HB   GLU  37          1HB       GLU  37   0.048  -2.805  12.587
  287   1HG   GLU  37          2HG       GLU  37  -0.496  -5.283  13.121
  288   2HG   GLU  37          1HG       GLU  37   1.183  -5.561  12.659
  289    H    GLU  37           H        GLU  37   0.018  -2.045  10.160
  290    HA   GLU  37           HA       GLU  37  -0.228  -4.845  10.373
  291    H    ALA  38           H        ALA  38  -1.970  -2.265  12.068
  292    HA   ALA  38           HA       ALA  38  -3.850  -3.792  13.397
  293   1HB   ALA  38          1HB       ALA  38  -3.508  -1.355  13.705
  294   2HB   ALA  38          2HB       ALA  38  -5.206  -1.801  13.537
  295   3HB   ALA  38          3HB       ALA  38  -4.345  -1.077  12.178
  296    H    ALA  39           H        ALA  39  -3.688  -2.844  10.058
  297    HA   ALA  39           HA       ALA  39  -6.369  -3.569   9.370
  298   1HB   ALA  39          1HB       ALA  39  -3.964  -3.299   7.571
  299   2HB   ALA  39          2HB       ALA  39  -5.018  -1.969   8.055
  300   3HB   ALA  39          3HB       ALA  39  -5.657  -3.290   7.076
  301   1HB   ARG  40          2HB       ARG  40  -1.710  -6.723   8.544
  302   2HB   ARG  40          1HB       ARG  40  -1.872  -7.353  10.178
  303   1HG   ARG  40          2HG       ARG  40  -2.683  -9.410   8.438
  304   2HG   ARG  40          1HG       ARG  40  -1.199  -8.731   7.772
  305   1HD   ARG  40          2HD       ARG  40   0.033  -9.229   9.686
  306   2HD   ARG  40          1HD       ARG  40  -1.409  -9.400  10.683
  307   1HH1  ARG  40          1HH1      ARG  40  -2.720 -10.465  11.186
  308   2HH1  ARG  40          2HH1      ARG  40  -3.273 -12.086  11.445
  309   1HH2  ARG  40          2HH2      ARG  40  -1.060 -13.520   9.151
  310   2HH2  ARG  40          1HH2      ARG  40  -2.330 -13.822  10.290
  311    H    ARG  40           H        ARG  40  -3.313  -5.199   9.606
  312    HA   ARG  40           HA       ARG  40  -4.090  -7.537   8.141
  313    HE   ARG  40           HE       ARG  40  -0.337 -11.381   8.816
  314   1HB   LYS  41          2HB       LYS  41  -5.630  -6.209  13.387
  315   2HB   LYS  41          1HB       LYS  41  -5.804  -7.575  14.481
  316   1HG   LYS  41          2HG       LYS  41  -3.167  -7.660  14.169
  317   2HG   LYS  41          1HG       LYS  41  -3.418  -5.944  13.838
  318   1HD   LYS  41          2HD       LYS  41  -4.837  -5.985  16.005
  319   2HD   LYS  41          1HD       LYS  41  -3.978  -7.489  16.341
  320   1HE   LYS  41          2HE       LYS  41  -2.905  -5.512  17.365
  321   2HE   LYS  41          1HE       LYS  41  -1.854  -6.359  16.230
  322    H    LYS  41           H        LYS  41  -4.080  -6.554  11.512
  323    HA   LYS  41           HA       LYS  41  -4.500  -8.943  12.800
  324   1HZ   LYS  41          3HZ       LYS  41  -3.419  -4.249  15.042
  325   2HZ   LYS  41          2HZ       LYS  41  -2.321  -3.710  16.210
  326   3HZ   LYS  41          1HZ       LYS  41  -1.771  -4.599  14.881
  327   1HG1  ILE  42          1HG1      ILE  42  -8.298  -5.490   9.299
  328   2HG1  ILE  42          2HG1      ILE  42  -8.163  -7.130   8.672
  329    H    ILE  42           H        ILE  42  -6.765  -7.034  10.930
  330    HA   ILE  42           HA       ILE  42  -9.023  -8.681  11.696
  331    HB   ILE  42           HB       ILE  42 -10.372  -7.253  10.350
  332   1HG2  ILE  42          1HG2      ILE  42  -9.464  -6.343  12.498
  333   2HG2  ILE  42          3HG2      ILE  42  -8.260  -5.472  11.548
  334   3HG2  ILE  42          2HG2      ILE  42  -9.975  -5.120  11.336
  335   1HD1  ILE  42          3HD1      ILE  42 -10.890  -6.123   8.639
  336   2HD1  ILE  42          2HD1      ILE  42  -9.773  -5.158   7.674
  337   3HD1  ILE  42          1HD1      ILE  42  -9.941  -6.887   7.362
  338   1HA   GLY  43          1HA       GLY  43  -8.159 -10.563   7.653
  339   2HA   GLY  43          2HA       GLY  43  -6.411 -10.490   7.829
  340    H    GLY  43           H        GLY  43  -6.805  -8.314   9.009
  341   1HB   PHE  44          2HB       PHE  44  -6.343  -5.523   6.388
  342   2HB   PHE  44          1HB       PHE  44  -4.694  -5.916   5.914
  343    H    PHE  44           H        PHE  44  -5.847  -7.899   7.198
  344    HA   PHE  44           HA       PHE  44  -7.115  -7.231   4.678
  345    HD1  PHE  44           HD1      PHE  44  -7.207  -6.026   3.325
  346    HD2  PHE  44           HD2      PHE  44  -4.430  -3.524   5.352
  347    HE1  PHE  44           HE1      PHE  44  -7.349  -4.391   1.490
  348    HE2  PHE  44           HE2      PHE  44  -4.564  -1.884   3.523
  349    HZ   PHE  44           HZ       PHE  44  -6.028  -2.315   1.590
  350   1HB   HIS  45          2HB       HIS  45  -4.650 -11.511   3.500
  351   2HB   HIS  45          1HB       HIS  45  -6.049 -11.255   2.464
  352    H    HIS  45           H        HIS  45  -6.523  -9.171   3.533
  353    HA   HIS  45           HA       HIS  45  -3.681  -9.430   2.870
  354    HD1  HIS  45           HD1      HIS  45  -5.928 -12.964   0.688
  355    HD2  HIS  45           HD2      HIS  45  -2.208 -11.284   1.463
  356    HE1  HIS  45           HE1      HIS  45  -4.360 -13.993  -0.986
  357    HE2  HIS  45           HE2      HIS  45  -2.104 -13.010  -0.456
  358    H    VAL  46           H        VAL  46  -2.893  -8.716   1.009
  359    HA   VAL  46           HA       VAL  46  -4.350  -8.755  -1.441
  360    HB   VAL  46           HB       VAL  46  -5.467  -6.805  -0.837
  361   1HG1  VAL  46          1HG1      VAL  46  -3.696  -6.557   1.161
  362   2HG1  VAL  46          3HG1      VAL  46  -3.136  -5.258   0.109
  363   3HG1  VAL  46          2HG1      VAL  46  -4.804  -5.269   0.684
  364   1HG2  VAL  46          2HG2      VAL  46  -2.942  -5.977  -2.256
  365   2HG2  VAL  46          1HG2      VAL  46  -4.477  -6.455  -2.981
  366   3HG2  VAL  46          3HG2      VAL  46  -4.359  -4.941  -2.083
  367   1HB   CYS  47          2HB       CYS  47  -0.603  -9.694  -5.044
  368   2HB   CYS  47          1HB       CYS  47   0.281 -10.442  -3.718
  369    H    CYS  47           H        CYS  47  -2.868  -9.182  -2.931
  370    HA   CYS  47           HA       CYS  47  -0.072  -8.681  -2.386
  371    H    ALA  48           H        ALA  48  -0.973  -6.267  -2.475
  372    HA   ALA  48           HA       ALA  48   0.042  -5.208  -4.995
  373   1HB   ALA  48          3HB       ALA  48  -2.608  -5.404  -4.829
  374   2HB   ALA  48          1HB       ALA  48  -1.808  -4.054  -5.636
  375   3HB   ALA  48          2HB       ALA  48  -2.402  -3.870  -3.985
  376    H    ALA  49           H        ALA  49   1.839  -4.663  -3.666
  377    HA   ALA  49           HA       ALA  49   2.046  -3.387  -1.324
  378   1HB   ALA  49          3HB       ALA  49   4.150  -3.383  -2.030
  379   2HB   ALA  49          2HB       ALA  49   3.637  -3.492  -3.714
  380   3HB   ALA  49          1HB       ALA  49   3.790  -1.915  -2.939
  381   1HA   GLY  50          2HA       GLY  50  -0.238   0.219  -0.504
  382   2HA   GLY  50          1HA       GLY  50   0.297   0.555  -2.142
  383    H    GLY  50           H        GLY  50   1.511  -1.498  -0.400
  384   1HB   TRP  51          2HB       TRP  51   1.741   4.726  -2.486
  385   2HB   TRP  51          1HB       TRP  51   3.153   5.435  -1.710
  386    H    TRP  51           H        TRP  51   1.303   2.439  -2.267
  387    HA   TRP  51           HA       TRP  51   3.640   3.053  -0.856
  388    HD1  TRP  51           HD1      TRP  51   2.115   3.375  -4.691
  389    HE1  TRP  51           HE1      TRP  51   4.176   2.899  -6.164
  390    HE3  TRP  51           HE3      TRP  51   5.778   5.038  -1.533
  391    HZ2  TRP  51           HZ2      TRP  51   6.978   3.200  -6.010
  392    HZ3  TRP  51           HZ3      TRP  51   8.122   4.911  -2.272
  393    HH2  TRP  51           HH2      TRP  51   8.707   4.011  -4.465
  394   1HB   MET  52          2HB       MET  52   2.379   4.002   4.564
  395   2HB   MET  52          1HB       MET  52   1.237   3.428   3.359
  396   1HG   MET  52          2HG       MET  52   2.403   1.579   3.007
  397   2HG   MET  52          1HG       MET  52   3.905   2.479   2.813
  398    H    MET  52           H        MET  52   3.955   3.725   1.146
  399    HA   MET  52           HA       MET  52   1.969   5.433   2.442
  400   1HE   MET  52          3HE       MET  52   3.254  -0.263   3.782
  401   2HE   MET  52          2HE       MET  52   4.361  -0.540   5.127
  402   3HE   MET  52          1HE       MET  52   2.626  -0.413   5.423
  403    H    ALA  53           H        ALA  53   2.907   6.057   4.730
  404    HA   ALA  53           HA       ALA  53   4.456   7.420   5.728
  405   1HB   ALA  53          3HB       ALA  53   6.168   6.217   6.584
  406   2HB   ALA  53          2HB       ALA  53   5.282   4.877   5.855
  407   3HB   ALA  53          1HB       ALA  53   6.657   5.588   5.010
  408   1HB   LYS  54          2HB       LYS  54   9.189   8.275   4.936
  409   2HB   LYS  54          1HB       LYS  54   9.818   8.754   3.367
  410   1HG   LYS  54          2HG       LYS  54   8.753  11.093   4.277
  411   2HG   LYS  54          1HG       LYS  54   9.332  10.347   5.767
  412   1HD   LYS  54          2HD       LYS  54  11.550  10.121   4.849
  413   2HD   LYS  54          1HD       LYS  54  10.999  10.704   3.278
  414   1HE   LYS  54          2HE       LYS  54  11.996  12.578   4.227
  415   2HE   LYS  54          1HE       LYS  54  10.279  12.818   4.550
  416    H    LYS  54           H        LYS  54   7.156   7.815   5.278
  417    HA   LYS  54           HA       LYS  54   7.259   9.886   3.510
  418   1HZ   LYS  54          2HZ       LYS  54  11.460  11.359   6.659
  419   2HZ   LYS  54          1HZ       LYS  54  12.350  12.772   6.388
  420   3HZ   LYS  54          3HZ       LYS  54  10.691  12.865   6.710
  421   1HA   GLY  55          1HA       GLY  55   8.242   6.908   0.071
  422   2HA   GLY  55          2HA       GLY  55   6.524   6.557   0.199
  423    H    GLY  55           H        GLY  55   7.199   6.534   2.768
  424   1HB   ARG  56          2HB       ARG  56   7.932   3.471   4.119
  425   2HB   ARG  56          1HB       ARG  56   6.635   2.307   3.884
  426   1HG   ARG  56          2HG       ARG  56   8.256   0.551   3.457
  427   2HG   ARG  56          1HG       ARG  56   9.575   1.712   3.625
  428   1HD   ARG  56          2HD       ARG  56   7.700   1.651   5.880
  429   2HD   ARG  56          1HD       ARG  56   8.606   0.157   5.637
  430   1HH1  ARG  56          1HH1      ARG  56   8.426   0.554   7.794
  431   2HH1  ARG  56          2HH1      ARG  56   9.452   0.903   9.145
  432   1HH2  ARG  56          2HH2      ARG  56  11.721   2.818   7.298
  433   2HH2  ARG  56          1HH2      ARG  56  11.326   2.190   8.863
  434    H    ARG  56           H        ARG  56   6.907   4.841   2.558
  435    HA   ARG  56           HA       ARG  56   8.579   2.660   1.659
  436    HE   ARG  56           HE       ARG  56  10.365   2.352   5.526
  437    H    VAL  57           H        VAL  57   7.939   0.891   0.568
  438    HA   VAL  57           HA       VAL  57   5.055   0.605   0.034
  439    HB   VAL  57           HB       VAL  57   5.448   0.176  -2.138
  440   1HG1  VAL  57          2HG1      VAL  57   7.356   1.984  -1.151
  441   2HG1  VAL  57          1HG1      VAL  57   8.191   0.981  -2.338
  442   3HG1  VAL  57          3HG1      VAL  57   6.731   1.860  -2.795
  443   1HG2  VAL  57          1HG2      VAL  57   7.831  -1.385  -1.189
  444   2HG2  VAL  57          3HG2      VAL  57   6.353  -1.976  -1.950
  445   3HG2  VAL  57          2HG2      VAL  57   7.541  -1.085  -2.902
  446   1HA   GLY  58          2HA       GLY  58   4.956  -3.201   2.079
  447   2HA   GLY  58          1HA       GLY  58   5.537  -3.820   0.542
  448    H    GLY  58           H        GLY  58   4.096  -1.397   0.161
  449   1HB   TYR  59          2HB       TYR  59   1.151  -6.928  -0.994
  450   2HB   TYR  59          1HB       TYR  59   1.709  -5.323  -1.456
  451    H    TYR  59           H        TYR  59   4.135  -5.646   1.071
  452    HA   TYR  59           HA       TYR  59   1.277  -5.149   0.850
  453    HD1  TYR  59           HD1      TYR  59   4.254  -4.957  -1.619
  454    HD2  TYR  59           HD2      TYR  59   2.452  -8.815  -1.468
  455    HE1  TYR  59           HE1      TYR  59   6.287  -5.941  -2.587
  456    HE2  TYR  59           HE2      TYR  59   4.483  -9.803  -2.436
  457    HH   TYR  59           HH       TYR  59   7.124  -7.814  -3.604
  458   1HB   PRO  60          2HB       PRO  60  -0.647  -8.242   4.913
  459   2HB   PRO  60          1HB       PRO  60   0.719  -7.231   5.387
  460   1HG   PRO  60          2HG       PRO  60  -1.535  -6.623   3.528
  461   2HG   PRO  60          1HG       PRO  60  -0.753  -5.576   4.723
  462   1HD   PRO  60          1HD       PRO  60  -0.227  -5.443   2.059
  463   2HD   PRO  60          2HD       PRO  60   0.971  -5.036   3.303
  464    HA   PRO  60           HA       PRO  60   1.848  -8.492   3.842
  465   1HG1  ILE  61          2HG1      ILE  61   2.499 -10.449   0.680
  466   2HG1  ILE  61          1HG1      ILE  61   2.259 -11.325  -0.828
  467    H    ILE  61           H        ILE  61   1.777 -10.438   2.888
  468    HA   ILE  61           HA       ILE  61  -0.701 -11.245   1.525
  469    HB   ILE  61           HB       ILE  61   1.913 -12.695   1.263
  470   1HG2  ILE  61          2HG2      ILE  61  -0.689 -13.052   0.243
  471   2HG2  ILE  61          1HG2      ILE  61   0.325 -12.537  -1.106
  472   3HG2  ILE  61          3HG2      ILE  61   0.770 -13.958  -0.159
  473   1HD1  ILE  61          1HD1      ILE  61  -0.225 -10.198  -0.129
  474   2HD1  ILE  61          3HD1      ILE  61   0.999  -8.946   0.077
  475   3HD1  ILE  61          2HD1      ILE  61   0.835  -9.771  -1.473
  476    H    VAL  62           H        VAL  62  -1.935 -12.119   3.114
  477    HA   VAL  62           HA       VAL  62  -0.812 -13.937   5.061
  478    HB   VAL  62           HB       VAL  62  -3.757 -13.561   4.668
  479   1HG1  VAL  62          3HG1      VAL  62  -1.968 -14.001   7.053
  480   2HG1  VAL  62          2HG1      VAL  62  -3.701 -13.694   7.161
  481   3HG1  VAL  62          1HG1      VAL  62  -3.111 -15.141   6.344
  482   1HG2  VAL  62          1HG2      VAL  62  -2.273 -11.353   4.677
  483   2HG2  VAL  62          3HG2      VAL  62  -3.829 -11.447   5.501
  484   3HG2  VAL  62          2HG2      VAL  62  -2.334 -11.635   6.417
  485   1HB   LYS  63          2HB       LYS  63  -4.825 -15.513   2.007
  486   2HB   LYS  63          1HB       LYS  63  -4.378 -15.656   0.314
  487   1HG   LYS  63          2HG       LYS  63  -5.502 -17.567   0.293
  488   2HG   LYS  63          1HG       LYS  63  -4.206 -18.247   1.279
  489   1HD   LYS  63          2HD       LYS  63  -5.618 -17.062   3.210
  490   2HD   LYS  63          1HD       LYS  63  -6.921 -17.355   2.059
  491   1HE   LYS  63          2HE       LYS  63  -5.007 -19.518   2.873
  492   2HE   LYS  63          1HE       LYS  63  -6.455 -19.158   3.810
  493    H    LYS  63           H        LYS  63  -2.584 -14.105   2.061
  494    HA   LYS  63           HA       LYS  63  -2.652 -17.042   2.299
  495   1HZ   LYS  63          3HZ       LYS  63  -7.644 -19.422   1.562
  496   2HZ   LYS  63          2HZ       LYS  63  -6.244 -20.237   1.077
  497   3HZ   LYS  63          1HZ       LYS  63  -7.148 -20.815   2.384
  498   1HB   PRO  64          2HB       PRO  64   1.256 -19.066  -0.900
  499   2HB   PRO  64          1HB       PRO  64   1.912 -17.828   0.172
  500   1HG   PRO  64          2HG       PRO  64  -0.193 -19.875   0.702
  501   2HG   PRO  64          1HG       PRO  64   1.106 -19.300   1.761
  502   1HD   PRO  64          2HD       PRO  64  -1.451 -18.475   2.031
  503   2HD   PRO  64          1HD       PRO  64  -0.070 -17.417   2.390
  504    HA   PRO  64           HA       PRO  64   0.490 -16.426  -0.928
  505   1HA   GLY  65          2HA       GLY  65  -1.734 -17.730  -4.392
  506   2HA   GLY  65          1HA       GLY  65  -0.816 -19.221  -4.241
  507    H    GLY  65           H        GLY  65   0.678 -17.134  -3.089
  508   1HB   PRO  66          2HB       PRO  66  -0.518 -17.995  -9.946
  509   2HB   PRO  66          1HB       PRO  66  -0.041 -19.518  -9.191
  510   1HG   PRO  66          2HG       PRO  66  -2.459 -17.825  -8.684
  511   2HG   PRO  66          1HG       PRO  66  -2.338 -19.588  -8.833
  512   1HD   PRO  66          2HD       PRO  66  -2.494 -18.329  -6.436
  513   2HD   PRO  66          1HD       PRO  66  -1.602 -19.847  -6.665
  514    HA   PRO  66           HA       PRO  66   1.311 -18.138  -7.948
  515   1HB   ASN  67          2HB       ASN  67   0.632 -14.917 -10.796
  516   2HB   ASN  67          1HB       ASN  67  -0.187 -13.604  -9.955
  517   1HD2  ASN  67          1HD2      ASN  67   1.654 -11.743  -9.578
  518   2HD2  ASN  67          2HD2      ASN  67   2.323 -11.198 -11.074
  519    H    ASN  67           H        ASN  67   2.234 -16.328  -8.688
  520    HA   ASN  67           HA       ASN  67   2.606 -14.125  -9.125
  521   1HB   CYS  68          2HB       CYS  68  -1.013 -14.496  -5.643
  522   2HB   CYS  68          1HB       CYS  68  -0.820 -13.827  -4.027
  523    H    CYS  68           H        CYS  68   1.563 -14.900  -6.487
  524    HA   CYS  68           HA       CYS  68   0.820 -12.229  -5.596
  525   1HA   GLY  69          2HA       GLY  69   1.858 -16.228  -2.192
  526   2HA   GLY  69          1HA       GLY  69   2.130 -14.549  -1.744
  527    H    GLY  69           H        GLY  69   0.790 -15.451  -4.074
  528   1HB   PHE  70          2HB       PHE  70   5.870 -12.640  -1.818
  529   2HB   PHE  70          1HB       PHE  70   7.167 -13.561  -1.066
  530    H    PHE  70           H        PHE  70   4.191 -14.013  -1.547
  531    HA   PHE  70           HA       PHE  70   6.140 -14.795  -3.515
  532    HD1  PHE  70           HD1      PHE  70   6.115 -12.207  -4.369
  533    HD2  PHE  70           HD2      PHE  70   9.334 -13.278  -1.799
  534    HE1  PHE  70           HE1      PHE  70   7.714 -11.268  -5.987
  535    HE2  PHE  70           HE2      PHE  70  10.938 -12.340  -3.411
  536    HZ   PHE  70           HZ       PHE  70  10.129 -11.334  -5.508
  537   1HA   GLY  71          1HA       GLY  71   7.393 -17.750  -0.298
  538   2HA   GLY  71          2HA       GLY  71   5.897 -18.616  -0.632
  539    H    GLY  71           H        GLY  71   4.876 -16.305  -0.849
  540   1HB   LYS  72          2HB       LYS  72   7.721 -14.997   3.322
  541   2HB   LYS  72          1HB       LYS  72   6.873 -15.096   4.861
  542   1HG   LYS  72          2HG       LYS  72   8.201 -16.730   5.633
  543   2HG   LYS  72          1HG       LYS  72   8.275 -17.548   4.072
  544   1HD   LYS  72          2HD       LYS  72   9.644 -14.991   4.028
  545   2HD   LYS  72          1HD       LYS  72  10.297 -16.072   5.260
  546   1HE   LYS  72          2HE       LYS  72  10.955 -17.653   3.717
  547   2HE   LYS  72          1HE       LYS  72   9.781 -17.120   2.515
  548    H    LYS  72           H        LYS  72   6.943 -15.925   1.466
  549    HA   LYS  72           HA       LYS  72   6.018 -17.391   3.800
  550   1HZ   LYS  72          3HZ       LYS  72  11.589 -15.029   3.074
  551   2HZ   LYS  72          2HZ       LYS  72  12.460 -16.425   2.685
  552   3HZ   LYS  72          1HZ       LYS  72  11.305 -15.820   1.605
  553    H    THR  73           H        THR  73   4.849 -16.031   5.514
  554    HA   THR  73           HA       THR  73   2.672 -14.545   4.194
  555    HB   THR  73           HB       THR  73   1.350 -15.218   6.299
  556    HG1  THR  73           HG1      THR  73   3.604 -16.201   7.039
  557   1HG2  THR  73          1HG2      THR  73   2.086 -16.910   3.973
  558   2HG2  THR  73          3HG2      THR  73   1.176 -17.674   5.276
  559   3HG2  THR  73          2HG2      THR  73   0.516 -16.262   4.449
  560   1HA   GLY  74          2HA       GLY  74   3.955 -11.452   7.028
  561   2HA   GLY  74          1HA       GLY  74   2.230 -11.118   6.947
  562    H    GLY  74           H        GLY  74   2.444 -12.474   4.727
  563   1HG1  ILE  75          1HG1      ILE  75   2.002  -5.533   5.599
  564   2HG1  ILE  75          2HG1      ILE  75   1.754  -6.668   6.921
  565    H    ILE  75           H        ILE  75   3.321  -8.882   7.065
  566    HA   ILE  75           HA       ILE  75   2.888  -7.538   4.672
  567    HB   ILE  75           HB       ILE  75   4.204  -6.805   7.241
  568   1HG2  ILE  75          1HG2      ILE  75   4.548  -5.324   4.661
  569   2HG2  ILE  75          3HG2      ILE  75   4.533  -4.469   6.204
  570   3HG2  ILE  75          2HG2      ILE  75   5.750  -5.707   5.893
  571   1HD1  ILE  75          2HD1      ILE  75   2.995  -4.985   8.372
  572   2HD1  ILE  75          1HD1      ILE  75   2.760  -3.853   7.041
  573   3HD1  ILE  75          3HD1      ILE  75   1.365  -4.567   7.848
  574   1HG1  ILE  76          1HG1      ILE  76   5.145  -9.992   2.326
  575   2HG1  ILE  76          2HG1      ILE  76   4.028  -9.718   0.993
  576    H    ILE  76           H        ILE  76   4.011  -7.460   2.854
  577    HA   ILE  76           HA       ILE  76   6.810  -8.302   2.857
  578    HB   ILE  76           HB       ILE  76   4.992  -7.754   0.509
  579   1HG2  ILE  76          3HG2      ILE  76   7.760  -8.900   0.744
  580   2HG2  ILE  76          2HG2      ILE  76   6.741  -9.164  -0.672
  581   3HG2  ILE  76          1HG2      ILE  76   7.216  -7.527  -0.221
  582   1HD1  ILE  76          3HD1      ILE  76   6.783 -10.879   0.690
  583   2HD1  ILE  76          2HD1      ILE  76   5.298 -11.823   0.813
  584   3HD1  ILE  76          1HD1      ILE  76   5.542 -10.738  -0.556
  585   1HB   ASP  77          2HB       ASP  77   6.770  -3.979   4.395
  586   2HB   ASP  77          1HB       ASP  77   8.472  -3.744   4.779
  587    H    ASP  77           H        ASP  77   7.744  -6.421   3.735
  588    HA   ASP  77           HA       ASP  77   7.738  -4.104   1.914
  589   1HB   TYR  78          2HB       TYR  78  11.016  -4.941  -0.667
  590   2HB   TYR  78          1HB       TYR  78  12.252  -3.692  -0.565
  591    H    TYR  78           H        TYR  78   9.581  -4.145   0.801
  592    HA   TYR  78           HA       TYR  78  11.989  -5.302   1.877
  593    HD1  TYR  78           HD1      TYR  78  14.609  -4.301  -0.216
  594    HD2  TYR  78           HD2      TYR  78  11.604  -7.271  -0.713
  595    HE1  TYR  78           HE1      TYR  78  16.349  -5.978  -0.665
  596    HE2  TYR  78           HE2      TYR  78  13.336  -8.957  -1.163
  597    HH   TYR  78           HH       TYR  78  16.158  -8.952  -0.374
  598   1HA   GLY  79          2HA       GLY  79  12.957  -1.174   3.283
  599   2HA   GLY  79          1HA       GLY  79  11.320  -0.559   3.505
  600    H    GLY  79           H        GLY  79  10.508  -2.354   2.237
  601   1HG1  ILE  80          1HG1      ILE  80  11.592   3.235   3.340
  602   2HG1  ILE  80          2HG1      ILE  80  12.310   4.840   3.431
  603    H    ILE  80           H        ILE  80  12.250   1.538   2.985
  604    HA   ILE  80           HA       ILE  80  11.619   2.524   0.533
  605    HB   ILE  80           HB       ILE  80  13.888   3.528   2.255
  606   1HG2  ILE  80          3HG2      ILE  80  12.241   4.925   0.151
  607   2HG2  ILE  80          2HG2      ILE  80  13.426   5.700   1.202
  608   3HG2  ILE  80          1HG2      ILE  80  13.946   4.490   0.030
  609   1HD1  ILE  80          3HD1      ILE  80  10.222   3.990   1.442
  610   2HD1  ILE  80          2HD1      ILE  80   9.918   4.903   2.919
  611   3HD1  ILE  80          1HD1      ILE  80  10.896   5.608   1.631
  612   1HB   ARG  81          2HB       ARG  81  13.025   1.968  -3.999
  613   2HB   ARG  81          1HB       ARG  81  14.297   0.759  -4.112
  614   1HG   ARG  81          2HG       ARG  81  12.369   0.245  -1.978
  615   2HG   ARG  81          1HG       ARG  81  11.668   0.250  -3.599
  616   1HD   ARG  81          2HD       ARG  81  14.167  -1.285  -2.954
  617   2HD   ARG  81          1HD       ARG  81  12.563  -1.970  -2.697
  618   1HH1  ARG  81          2HH1      ARG  81  12.298  -3.553  -3.264
  619   2HH1  ARG  81          1HH1      ARG  81  11.963  -4.642  -4.569
  620   1HH2  ARG  81          2HH2      ARG  81  12.913  -2.393  -7.073
  621   2HH2  ARG  81          1HH2      ARG  81  12.313  -3.982  -6.735
  622    H    ARG  81           H        ARG  81  12.485   2.599  -1.462
  623    HA   ARG  81           HA       ARG  81  15.011   1.167  -1.877
  624    HE   ARG  81           HE       ARG  81  13.350  -0.968  -5.347
  625   1HB   LEU  82          2HB       LEU  82  17.484   4.173  -1.942
  626   2HB   LEU  82          1HB       LEU  82  17.568   5.182  -3.370
  627    H    LEU  82           H        LEU  82  14.637   4.055  -1.050
  628    HA   LEU  82           HA       LEU  82  15.545   6.099  -1.485
  629    HG   LEU  82           HG       LEU  82  19.167   5.907  -1.674
  630   1HD1  LEU  82          1HD1      LEU  82  17.817   7.510  -3.205
  631   2HD1  LEU  82          3HD1      LEU  82  17.051   8.015  -1.700
  632   3HD1  LEU  82          2HD1      LEU  82  18.796   8.174  -1.897
  633   1HD2  LEU  82          2HD2      LEU  82  16.722   5.999   0.039
  634   2HD2  LEU  82          1HD2      LEU  82  18.316   5.334   0.393
  635   3HD2  LEU  82          3HD2      LEU  82  18.075   7.080   0.369
  636   1HB   ASN  83          2HB       ASN  83  15.165   5.424  -6.484
  637   2HB   ASN  83          1HB       ASN  83  13.992   4.123  -6.300
  638   1HD2  ASN  83          2HD2      ASN  83  12.812   3.713  -8.012
  639   2HD2  ASN  83          1HD2      ASN  83  12.422   4.825  -9.275
  640    H    ASN  83           H        ASN  83  13.593   4.827  -3.453
  641    HA   ASN  83           HA       ASN  83  13.673   6.982  -5.361
  642   1HB   ARG  84          2HB       ARG  84   8.122   7.754  -4.076
  643   2HB   ARG  84          1HB       ARG  84   9.564   7.736  -3.070
  644   1HG   ARG  84          2HG       ARG  84  10.489   9.121  -5.176
  645   2HG   ARG  84          1HG       ARG  84   8.784   9.569  -5.238
  646   1HD   ARG  84          2HD       ARG  84   8.846  10.398  -3.000
  647   2HD   ARG  84          1HD       ARG  84  10.467   9.751  -2.748
  648   1HH1  ARG  84          1HH1      ARG  84  11.774  10.525  -2.076
  649   2HH1  ARG  84          2HH1      ARG  84  12.950  11.796  -2.067
  650   1HH2  ARG  84          1HH2      ARG  84  11.457  13.592  -4.669
  651   2HH2  ARG  84          2HH2      ARG  84  12.770  13.539  -3.540
  652    H    ARG  84           H        ARG  84  11.659   7.613  -4.759
  653    HA   ARG  84           HA       ARG  84   9.497   5.742  -4.458
  654    HE   ARG  84           HE       ARG  84   9.912  11.914  -4.673
  655   1HB   SER  85          2HB       SER  85  10.858   7.644  -9.221
  656   2HB   SER  85          1HB       SER  85  11.377   6.003  -9.602
  657    H    SER  85           H        SER  85  10.755   5.728  -7.050
  658    HA   SER  85           HA       SER  85   8.573   6.748  -8.743
  659    HG   SER  85           HG       SER  85  10.611   6.334 -11.516
  660   1HB   GLU  86          2HB       GLU  86   7.722   1.609  -6.584
  661   2HB   GLU  86          1HB       GLU  86   8.851   0.578  -7.453
  662   1HG   GLU  86          2HG       GLU  86   9.940   3.112  -6.412
  663   2HG   GLU  86          1HG       GLU  86   9.471   1.907  -5.214
  664    H    GLU  86           H        GLU  86   8.893   4.140  -7.189
  665    HA   GLU  86           HA       GLU  86   9.132   2.091  -9.173
  666   1HB   ARG  87          2HB       ARG  87   5.596  -0.762 -11.070
  667   2HB   ARG  87          1HB       ARG  87   4.363   0.350 -11.642
  668   1HG   ARG  87          2HG       ARG  87   5.853   1.188 -13.043
  669   2HG   ARG  87          1HG       ARG  87   6.751   1.804 -11.655
  670   1HD   ARG  87          2HD       ARG  87   8.174  -0.052 -11.604
  671   2HD   ARG  87          1HD       ARG  87   7.092  -1.020 -12.605
  672   1HH1  ARG  87          2HH1      ARG  87   9.753  -0.896 -12.107
  673   2HH1  ARG  87          1HH1      ARG  87  11.164  -0.791 -13.106
  674   1HH2  ARG  87          1HH2      ARG  87   9.590   1.039 -15.636
  675   2HH2  ARG  87          2HH2      ARG  87  11.072   0.310 -15.112
  676    H    ARG  87           H        ARG  87   7.255   0.406  -9.253
  677    HA   ARG  87           HA       ARG  87   4.783   1.879  -9.875
  678    HE   ARG  87           HE       ARG  87   7.740   0.894 -14.315
  679   1HB   TRP  88          2HB       TRP  88   3.923   1.084  -5.368
  680   2HB   TRP  88          1HB       TRP  88   2.946  -0.257  -4.785
  681    H    TRP  88           H        TRP  88   3.815   1.634  -7.865
  682    HA   TRP  88           HA       TRP  88   3.012  -1.122  -7.205
  683    HD1  TRP  88           HD1      TRP  88   6.345   0.702  -4.731
  684    HE1  TRP  88           HE1      TRP  88   7.950  -1.308  -4.642
  685    HE3  TRP  88           HE3      TRP  88   3.117  -2.976  -6.201
  686    HZ2  TRP  88           HZ2      TRP  88   7.855  -4.089  -5.125
  687    HZ3  TRP  88           HZ3      TRP  88   3.956  -5.284  -6.365
  688    HH2  TRP  88           HH2      TRP  88   6.277  -5.827  -5.840
  689   1HB   ASP  89          2HB       ASP  89  -0.791  -0.853  -4.258
  690   2HB   ASP  89          1HB       ASP  89  -2.213   0.088  -4.702
  691    H    ASP  89           H        ASP  89   1.505   0.068  -4.901
  692    HA   ASP  89           HA       ASP  89  -0.723   1.272  -6.403
  693    H    ALA  90           H        ALA  90  -2.050   1.177  -3.580
  694    HA   ALA  90           HA       ALA  90  -0.542   3.035  -2.023
  695   1HB   ALA  90          1HB       ALA  90  -1.145   4.683  -3.575
  696   2HB   ALA  90          2HB       ALA  90  -2.286   4.880  -2.242
  697   3HB   ALA  90          3HB       ALA  90  -2.792   4.066  -3.723
  698   1HB   TYR  91          2HB       TYR  91  -0.940   1.546   1.964
  699   2HB   TYR  91          1HB       TYR  91  -2.346   1.251   2.969
  700    H    TYR  91           H        TYR  91  -1.017   2.475  -0.021
  701    HA   TYR  91           HA       TYR  91  -3.519   1.172   0.592
  702    HD1  TYR  91           HD1      TYR  91  -3.892  -0.707   1.612
  703    HD2  TYR  91           HD2      TYR  91   0.344  -0.354   1.767
  704    HE1  TYR  91           HE1      TYR  91  -3.683  -3.116   1.173
  705    HE2  TYR  91           HE2      TYR  91   0.567  -2.761   1.323
  706    HH   TYR  91           HH       TYR  91  -1.715  -4.928   1.739
  707   1HB   CYS  92          2HB       CYS  92  -6.694   4.033  -0.011
  708   2HB   CYS  92          1HB       CYS  92  -7.329   5.167   1.175
  709    H    CYS  92           H        CYS  92  -4.741   3.161   0.071
  710    HA   CYS  92           HA       CYS  92  -4.620   5.564   1.377
  711   1HB   TYR  93          2HB       TYR  93  -4.591   4.659   5.552
  712   2HB   TYR  93          1HB       TYR  93  -4.676   6.393   5.857
  713    H    TYR  93           H        TYR  93  -5.926   6.471   3.095
  714    HA   TYR  93           HA       TYR  93  -7.059   4.702   5.070
  715    HD1  TYR  93           HD1      TYR  93  -6.960   6.846   7.467
  716    HD2  TYR  93           HD2      TYR  93  -4.360   3.476   7.514
  717    HE1  TYR  93           HE1      TYR  93  -7.582   6.408   9.804
  718    HE2  TYR  93           HE2      TYR  93  -4.978   3.027   9.851
  719    HH   TYR  93           HH       TYR  93  -7.041   3.562  11.348
  720   1HB   ASN  94          2HB       ASN  94  -9.492   7.864   4.118
  721   2HB   ASN  94          1HB       ASN  94 -10.906   8.388   5.027
  722   1HD2  ASN  94          2HD2      ASN  94 -11.168  10.366   4.174
  723   2HD2  ASN  94          1HD2      ASN  94 -10.012  11.646   4.297
  724    H    ASN  94           H        ASN  94  -8.693   5.701   6.071
  725    HA   ASN  94           HA       ASN  94  -8.680   8.441   6.795
  726   1HB   PRO  95          2HB       PRO  95 -12.090   8.515  11.069
  727   2HB   PRO  95          1HB       PRO  95 -10.657   7.491  11.218
  728   1HG   PRO  95          2HG       PRO  95 -10.958  10.149   9.879
  729   2HG   PRO  95          1HG       PRO  95  -9.637   9.553  10.899
  730   1HD   PRO  95          2HD       PRO  95  -9.473   9.629   8.201
  731   2HD   PRO  95          1HD       PRO  95  -8.666   8.380   9.169
  732    HA   PRO  95           HA       PRO  95 -11.606   6.369   9.456
  733   1HB   HIS  96          2HB       HIS  96 -13.776  11.040   7.861
  734   2HB   HIS  96          1HB       HIS  96 -13.497  10.866   6.131
  735    H    HIS  96           H        HIS  96 -12.128   8.781   7.200
  736    HA   HIS  96           HA       HIS  96 -15.020   8.832   7.764
  737    HD1  HIS  96           HD1      HIS  96 -14.906  13.046   5.761
  738    HD2  HIS  96           HD2      HIS  96 -17.014   9.857   7.391
  739    HE1  HIS  96           HE1      HIS  96 -17.334  13.653   5.521
  740    HE2  HIS  96           HE2      HIS  96 -18.588  11.751   6.597
  741    H    ALA  97           H        ALA  97 -12.595   7.802   5.633
  742    HA   ALA  97           HA       ALA  97 -14.275   7.739   3.273
  743   1HB   ALA  97          3HB       ALA  97 -11.470   6.800   3.827
  744   2HB   ALA  97          1HB       ALA  97 -11.992   8.161   2.832
  745   3HB   ALA  97          2HB       ALA  97 -12.291   6.508   2.293
  746   1HB   LYS  98          2HB       LYS  98 -16.872   5.371   6.439
  747   2HB   LYS  98          1HB       LYS  98 -17.894   4.210   5.600
  748   1HG   LYS  98          2HG       LYS  98 -16.343   2.435   6.652
  749   2HG   LYS  98          1HG       LYS  98 -15.868   3.736   7.746
  750   1HD   LYS  98          2HD       LYS  98 -18.321   4.075   8.223
  751   2HD   LYS  98          1HD       LYS  98 -18.617   2.576   7.340
  752   1HE   LYS  98          2HE       LYS  98 -16.911   1.520   8.927
  753   2HE   LYS  98          1HE       LYS  98 -17.111   2.974   9.906
  754    H    LYS  98           H        LYS  98 -15.730   6.422   4.980
  755    HA   LYS  98           HA       LYS  98 -15.110   3.619   5.127
  756   1HZ   LYS  98          2HZ       LYS  98 -19.602   2.418   9.728
  757   2HZ   LYS  98          1HZ       LYS  98 -19.080   0.866   9.303
  758   3HZ   LYS  98          3HZ       LYS  98 -18.647   1.525  10.801

  No H/Q in entry =         758
  Start of MODEL   10
    1   1HA   GLY   1          2HA       GLY   1 -10.277   1.993   8.192
    2   2HA   GLY   1          1HA       GLY   1  -9.160   3.010   9.089
    3    H1   GLY   1          2H        GLY   1 -10.753   4.566   7.325
    4    H2   GLY   1          1H        GLY   1 -11.729   3.637   8.347
    5    H3   GLY   1          3H        GLY   1 -10.579   4.689   9.003
    6    H    VAL   2           H        VAL   2  -7.660   1.614   7.749
    7    HA   VAL   2           HA       VAL   2  -6.788   3.189   5.477
    8    HB   VAL   2           HB       VAL   2  -4.974   2.606   6.803
    9   1HG1  VAL   2          3HG1      VAL   2  -6.594   0.460   7.609
   10   2HG1  VAL   2          2HG1      VAL   2  -5.103  -0.252   6.991
   11   3HG1  VAL   2          1HG1      VAL   2  -5.037   0.951   8.281
   12   1HG2  VAL   2          3HG2      VAL   2  -5.049   1.671   4.243
   13   2HG2  VAL   2          2HG2      VAL   2  -3.609   1.717   5.261
   14   3HG2  VAL   2          1HG2      VAL   2  -4.555   0.233   5.137
   15   1HB   TYR   3          2HB       TYR   3  -9.301   0.990   0.878
   16   2HB   TYR   3          1HB       TYR   3  -9.947   1.073   2.507
   17    H    TYR   3           H        TYR   3  -7.175   2.709   3.418
   18    HA   TYR   3           HA       TYR   3  -7.917  -0.059   2.758
   19    HD1  TYR   3           HD1      TYR   3  -8.717   3.356   3.726
   20    HD2  TYR   3           HD2      TYR   3  -9.915   2.840  -0.322
   21    HE1  TYR   3           HE1      TYR   3  -8.965   5.794   3.494
   22    HE2  TYR   3           HE2      TYR   3 -10.161   5.272  -0.568
   23    HH   TYR   3           HH       TYR   3 -10.529   7.238   0.844
   24   1HB   HIS   4          2HB       HIS   4  -4.811  -1.706   0.405
   25   2HB   HIS   4          1HB       HIS   4  -5.928  -2.256  -0.828
   26    H    HIS   4           H        HIS   4  -7.440  -0.742   0.620
   27    HA   HIS   4           HA       HIS   4  -5.068   0.611  -0.463
   28    HD1  HIS   4           HD1      HIS   4  -2.412  -1.161  -0.329
   29    HD2  HIS   4           HD2      HIS   4  -4.899  -2.282  -3.460
   30    HE1  HIS   4           HE1      HIS   4  -0.887  -1.575  -2.283
   31    HE2  HIS   4           HE2      HIS   4  -2.409  -2.329  -4.143
   32   1HB   ARG   5          2HB       ARG   5  -6.440   3.482  -3.723
   33   2HB   ARG   5          1HB       ARG   5  -7.555   2.971  -4.980
   34   1HG   ARG   5          2HG       ARG   5  -8.160   2.136  -2.205
   35   2HG   ARG   5          1HG       ARG   5  -8.375   3.838  -2.616
   36   1HD   ARG   5          2HD       ARG   5  -9.526   2.540  -4.746
   37   2HD   ARG   5          1HD       ARG   5  -9.955   1.510  -3.383
   38   1HH1  ARG   5          1HH1      ARG   5 -11.626   1.110  -3.307
   39   2HH1  ARG   5          2HH1      ARG   5 -13.235   1.529  -2.824
   40   1HH2  ARG   5          2HH2      ARG   5 -12.591   4.959  -2.614
   41   2HH2  ARG   5          1HH2      ARG   5 -13.784   3.716  -2.430
   42    H    ARG   5           H        ARG   5  -5.164   1.509  -2.407
   43    HA   ARG   5           HA       ARG   5  -7.246   0.622  -4.283
   44    HE   ARG   5           HE       ARG   5 -10.474   4.396  -3.253
   45   1HB   GLU   6          2HB       GLU   6  -4.274  -0.182  -8.930
   46   2HB   GLU   6          1HB       GLU   6  -5.408  -0.798  -7.737
   47   1HG   GLU   6          2HG       GLU   6  -6.167   1.193  -9.851
   48   2HG   GLU   6          1HG       GLU   6  -6.305  -0.552 -10.062
   49    H    GLU   6           H        GLU   6  -6.790   1.237  -6.540
   50    HA   GLU   6           HA       GLU   6  -3.894   1.174  -7.069
   51    H    ALA   7           H        ALA   7  -3.900   1.698  -9.743
   52    HA   ALA   7           HA       ALA   7  -4.346   4.557  -9.751
   53   1HB   ALA   7          1HB       ALA   7  -2.666   4.614 -11.214
   54   2HB   ALA   7          3HB       ALA   7  -2.472   2.885 -10.922
   55   3HB   ALA   7          2HB       ALA   7  -3.455   3.448 -12.275
   56   1HB   ARG   8          2HB       ARG   8  -6.715   7.086 -12.798
   57   2HB   ARG   8          1HB       ARG   8  -8.324   6.655 -13.359
   58   1HG   ARG   8          2HG       ARG   8  -9.278   6.964 -11.296
   59   2HG   ARG   8          1HG       ARG   8  -7.768   6.670 -10.434
   60   1HD   ARG   8          2HD       ARG   8  -8.509   9.124 -12.017
   61   2HD   ARG   8          1HD       ARG   8  -8.324   9.004 -10.269
   62   1HH1  ARG   8          2HH1      ARG   8  -7.829  11.012 -10.663
   63   2HH1  ARG   8          1HH1      ARG   8  -6.470  12.083 -10.601
   64   1HH2  ARG   8          1HH2      ARG   8  -4.141   9.648 -11.536
   65   2HH2  ARG   8          2HH2      ARG   8  -4.372  11.307 -11.097
   66    H    ARG   8           H        ARG   8  -5.539   5.684 -11.363
   67    HA   ARG   8           HA       ARG   8  -8.073   4.550 -11.913
   68    HE   ARG   8           HE       ARG   8  -5.938   8.246 -11.613
   69   1HB   SER   9          2HB       SER   9  -4.101   3.820 -17.040
   70   2HB   SER   9          1HB       SER   9  -4.334   5.254 -16.041
   71    H    SER   9           H        SER   9  -5.101   4.368 -13.545
   72    HA   SER   9           HA       SER   9  -6.348   3.789 -16.126
   73    HG   SER   9           HG       SER   9  -2.317   4.092 -15.706
   74   1HA   GLY  10          2HA       GLY  10  -4.489  -0.277 -14.727
   75   2HA   GLY  10          1HA       GLY  10  -6.011  -0.302 -13.846
   76    H    GLY  10           H        GLY  10  -5.145   2.197 -13.362
   77   1HB   LYS  11          2HB       LYS  11  -4.615  -3.686 -11.081
   78   2HB   LYS  11          1HB       LYS  11  -2.944  -3.838 -11.610
   79   1HG   LYS  11          2HG       LYS  11  -2.743  -4.826  -9.588
   80   2HG   LYS  11          1HG       LYS  11  -2.501  -3.154  -9.075
   81   1HD   LYS  11          2HD       LYS  11  -4.078  -3.929  -7.560
   82   2HD   LYS  11          1HD       LYS  11  -5.071  -3.125  -8.778
   83   1HE   LYS  11          2HE       LYS  11  -5.234  -5.438  -9.881
   84   2HE   LYS  11          1HE       LYS  11  -4.645  -6.061  -8.340
   85    H    LYS  11           H        LYS  11  -4.622  -2.111 -12.836
   86    HA   LYS  11           HA       LYS  11  -4.000  -1.382 -10.211
   87   1HZ   LYS  11          3HZ       LYS  11  -6.890  -4.203  -8.245
   88   2HZ   LYS  11          2HZ       LYS  11  -7.206  -5.749  -8.852
   89   3HZ   LYS  11          1HZ       LYS  11  -6.572  -5.567  -7.295
   90   1HB   TYR  12          2HB       TYR  12   0.646  -2.144 -11.147
   91   2HB   TYR  12          1HB       TYR  12   1.845  -1.480 -10.042
   92    H    TYR  12           H        TYR  12  -2.057  -1.163  -9.098
   93    HA   TYR  12           HA       TYR  12   0.049  -0.356  -8.780
   94    HD1  TYR  12           HD1      TYR  12   1.232  -1.994  -7.451
   95    HD2  TYR  12           HD2      TYR  12   0.051  -4.337 -10.801
   96    HE1  TYR  12           HE1      TYR  12   0.980  -3.950  -5.984
   97    HE2  TYR  12           HE2      TYR  12  -0.210  -6.300  -9.343
   98    HH   TYR  12           HH       TYR  12  -0.683  -6.650  -6.791
   99   1HB   LYS  13          2HB       LYS  13  -0.031   2.206 -13.042
  100   2HB   LYS  13          1HB       LYS  13   1.389   2.325 -14.070
  101   1HG   LYS  13          2HG       LYS  13   1.199  -0.373 -13.344
  102   2HG   LYS  13          1HG       LYS  13  -0.441   0.146 -13.741
  103   1HD   LYS  13          2HD       LYS  13   0.839   1.271 -15.787
  104   2HD   LYS  13          1HD       LYS  13   1.963  -0.052 -15.467
  105   1HE   LYS  13          2HE       LYS  13   0.389  -1.680 -15.952
  106   2HE   LYS  13          1HE       LYS  13  -0.970  -0.594 -15.663
  107    H    LYS  13           H        LYS  13   2.072  -0.026 -10.886
  108    HA   LYS  13           HA       LYS  13   2.821   1.520 -12.375
  109   1HZ   LYS  13          3HZ       LYS  13   0.907  -0.233 -17.926
  110   2HZ   LYS  13          2HZ       LYS  13  -0.499  -1.166 -18.048
  111   3HZ   LYS  13          1HZ       LYS  13  -0.609   0.487 -17.706
  112   1HB   LEU  14          2HB       LEU  14   0.667   3.188  -7.630
  113   2HB   LEU  14          1HB       LEU  14   0.624   4.927  -7.456
  114    H    LEU  14           H        LEU  14   1.527   2.172  -9.581
  115    HA   LEU  14           HA       LEU  14   1.250   5.063  -9.910
  116    HG   LEU  14           HG       LEU  14  -1.022   3.690  -9.608
  117   1HD1  LEU  14          2HD1      LEU  14  -1.295   3.134  -6.756
  118   2HD1  LEU  14          1HD1      LEU  14  -2.752   3.808  -7.488
  119   3HD1  LEU  14          3HD1      LEU  14  -2.034   2.337  -8.146
  120   1HD2  LEU  14          1HD2      LEU  14  -0.755   6.230  -8.296
  121   2HD2  LEU  14          3HD2      LEU  14  -1.680   5.806  -9.736
  122   3HD2  LEU  14          2HD2      LEU  14  -2.407   5.632  -8.139
  123    H    THR  15           H        THR  15   2.460   6.531  -8.671
  124    HA   THR  15           HA       THR  15   5.069   5.483  -7.806
  125    HB   THR  15           HB       THR  15   5.981   7.690  -8.177
  126    HG1  THR  15           HG1      THR  15   4.596   9.368  -8.971
  127   1HG2  THR  15          1HG2      THR  15   5.814   6.230 -10.138
  128   2HG2  THR  15          3HG2      THR  15   4.216   6.886 -10.494
  129   3HG2  THR  15          2HG2      THR  15   5.638   7.925 -10.591
  130   1HB   TYR  16          2HB       TYR  16   6.869   7.563  -3.824
  131   2HB   TYR  16          1HB       TYR  16   6.732   9.154  -4.566
  132    H    TYR  16           H        TYR  16   5.804   7.850  -6.372
  133    HA   TYR  16           HA       TYR  16   4.467   7.272  -3.874
  134    HD1  TYR  16           HD1      TYR  16   5.100   7.462  -1.651
  135    HD2  TYR  16           HD2      TYR  16   7.236  10.848  -3.095
  136    HE1  TYR  16           HE1      TYR  16   4.980   8.482   0.579
  137    HE2  TYR  16           HE2      TYR  16   7.118  11.879  -0.866
  138    HH   TYR  16           HH       TYR  16   6.630  11.515   1.309
  139    H    ALA  17           H        ALA  17   5.197  10.283  -5.627
  140    HA   ALA  17           HA       ALA  17   3.421  11.906  -4.183
  141   1HB   ALA  17          3HB       ALA  17   5.291  12.714  -5.608
  142   2HB   ALA  17          2HB       ALA  17   4.325  12.311  -7.028
  143   3HB   ALA  17          1HB       ALA  17   3.764  13.548  -5.902
  144   1HB   GLU  18          2HB       GLU  18   1.903   8.324  -8.331
  145   2HB   GLU  18          1HB       GLU  18   0.242   8.548  -8.865
  146   1HG   GLU  18          2HG       GLU  18   0.812  10.365 -10.235
  147   2HG   GLU  18          1HG       GLU  18   2.394  10.543  -9.477
  148    H    GLU  18           H        GLU  18   2.948   9.808  -6.934
  149    HA   GLU  18           HA       GLU  18   0.395  10.847  -7.689
  150    H    ALA  19           H        ALA  19   1.408   7.877  -6.021
  151    HA   ALA  19           HA       ALA  19  -1.052   6.822  -5.394
  152   1HB   ALA  19          2HB       ALA  19   0.400   5.323  -4.619
  153   2HB   ALA  19          3HB       ALA  19   0.494   6.300  -3.153
  154   3HB   ALA  19          1HB       ALA  19   1.667   6.540  -4.449
  155   1HB   LYS  20          2HB       LYS  20   1.411  10.613  -1.947
  156   2HB   LYS  20          1HB       LYS  20   0.532  11.913  -2.734
  157   1HG   LYS  20          2HG       LYS  20  -0.791  12.012  -0.496
  158   2HG   LYS  20          1HG       LYS  20   0.612  11.158   0.151
  159   1HD   LYS  20          2HD       LYS  20   2.075  12.923  -0.426
  160   2HD   LYS  20          1HD       LYS  20   0.858  13.696  -1.445
  161   1HE   LYS  20          2HE       LYS  20   0.075  14.857   0.279
  162   2HE   LYS  20          1HE       LYS  20  -0.152  13.385   1.221
  163    H    LYS  20           H        LYS  20   0.722   9.384  -3.755
  164    HA   LYS  20           HA       LYS  20  -0.907   9.590  -1.486
  165   1HZ   LYS  20          3HZ       LYS  20   2.595  14.159   1.060
  166   2HZ   LYS  20          2HZ       LYS  20   1.639  15.370   1.751
  167   3HZ   LYS  20          1HZ       LYS  20   1.651  13.818   2.422
  168    H    ALA  21           H        ALA  21  -0.872  11.474  -4.499
  169    HA   ALA  21           HA       ALA  21  -3.089  13.090  -3.908
  170   1HB   ALA  21          1HB       ALA  21  -3.237  13.232  -6.489
  171   2HB   ALA  21          2HB       ALA  21  -1.755  12.275  -6.461
  172   3HB   ALA  21          3HB       ALA  21  -1.801  13.855  -5.678
  173    H    VAL  22           H        VAL  22  -2.867   9.961  -5.550
  174    HA   VAL  22           HA       VAL  22  -5.496   9.689  -6.393
  175    HB   VAL  22           HB       VAL  22  -3.284   7.834  -5.757
  176   1HG1  VAL  22          3HG1      VAL  22  -6.138   6.883  -5.906
  177   2HG1  VAL  22          2HG1      VAL  22  -4.710   5.848  -5.956
  178   3HG1  VAL  22          1HG1      VAL  22  -5.070   6.786  -4.506
  179   1HG2  VAL  22          1HG2      VAL  22  -3.644   8.731  -7.998
  180   2HG2  VAL  22          3HG2      VAL  22  -3.819   6.976  -7.975
  181   3HG2  VAL  22          2HG2      VAL  22  -5.251   8.003  -8.036
  182   1HB   CYS  23          2HB       CYS  23  -3.672   8.973  -1.144
  183   2HB   CYS  23          1HB       CYS  23  -4.941   8.857   0.069
  184    H    CYS  23           H        CYS  23  -4.023   9.079  -3.263
  185    HA   CYS  23           HA       CYS  23  -6.303   7.910  -2.036
  186   1HB   GLU  24          2HB       GLU  24  -4.394  13.085  -1.318
  187   2HB   GLU  24          1HB       GLU  24  -5.644  14.228  -1.788
  188   1HG   GLU  24          2HG       GLU  24  -6.187  14.521   0.622
  189   2HG   GLU  24          1HG       GLU  24  -4.797  13.506   1.007
  190    H    GLU  24           H        GLU  24  -4.787  11.084  -1.565
  191    HA   GLU  24           HA       GLU  24  -6.777  12.258  -0.037
  192   1HB   PHE  25          2HB       PHE  25  -7.208  12.584  -5.674
  193   2HB   PHE  25          1HB       PHE  25  -7.866  10.953  -5.614
  194    H    PHE  25           H        PHE  25  -6.893  11.365  -3.310
  195    HA   PHE  25           HA       PHE  25  -8.934  13.301  -4.034
  196    HD1  PHE  25           HD1      PHE  25  -8.628  14.441  -6.561
  197    HD2  PHE  25           HD2      PHE  25  -9.750  10.349  -6.886
  198    HE1  PHE  25           HE1      PHE  25 -10.226  15.025  -8.338
  199    HE2  PHE  25           HE2      PHE  25 -11.350  10.924  -8.665
  200    HZ   PHE  25           HZ       PHE  25 -11.589  13.266  -9.393
  201   1HB   GLU  26          2HB       GLU  26  -9.160   7.737  -2.831
  202   2HB   GLU  26          1HB       GLU  26 -10.806   7.146  -2.659
  203   1HG   GLU  26          2HG       GLU  26 -10.769   8.113  -5.227
  204   2HG   GLU  26          1HG       GLU  26  -9.158   7.424  -5.036
  205    H    GLU  26           H        GLU  26  -8.667   9.945  -3.093
  206    HA   GLU  26           HA       GLU  26 -11.485   9.451  -3.640
  207   1HA   GLY  27          1HA       GLY  27 -12.164  10.452   0.599
  208   2HA   GLY  27          2HA       GLY  27 -11.056  11.813   0.678
  209    H    GLY  27           H        GLY  27 -10.180  11.163  -1.372
  210   1HA   GLY  28          2HA       GLY  28  -8.155   8.612   2.271
  211   2HA   GLY  28          1HA       GLY  28  -8.327   9.938   3.416
  212    H    GLY  28           H        GLY  28  -8.676  11.049   0.903
  213   1HB   HIS  29          2HB       HIS  29  -2.744  10.738   3.614
  214   2HB   HIS  29          1HB       HIS  29  -4.182  11.697   3.277
  215    H    HIS  29           H        HIS  29  -5.949   8.638   3.305
  216    HA   HIS  29           HA       HIS  29  -4.149  10.099   1.558
  217    HD1  HIS  29           HD1      HIS  29  -5.972  11.772   5.048
  218    HD2  HIS  29           HD2      HIS  29  -3.034   8.942   5.838
  219    HE1  HIS  29           HE1      HIS  29  -6.420  10.973   7.390
  220    HE2  HIS  29           HE2      HIS  29  -4.687   9.194   7.811
  221   1HB   LEU  30          2HB       LEU  30   0.494   8.675   2.366
  222   2HB   LEU  30          1HB       LEU  30   0.810   6.995   1.994
  223    H    LEU  30           H        LEU  30  -1.812   9.417   2.035
  224    HA   LEU  30           HA       LEU  30  -1.647   6.613   1.841
  225    HG   LEU  30           HG       LEU  30  -0.373   9.088   0.182
  226   1HD1  LEU  30          2HD1      LEU  30   2.089   8.982   0.402
  227   2HD1  LEU  30          1HD1      LEU  30   2.037   7.303  -0.134
  228   3HD1  LEU  30          3HD1      LEU  30   1.521   8.592  -1.222
  229   1HD2  LEU  30          3HD2      LEU  30  -1.147   6.420   0.248
  230   2HD2  LEU  30          2HD2      LEU  30  -1.376   7.559  -1.078
  231   3HD2  LEU  30          1HD2      LEU  30   0.043   6.512  -1.051
  232    H    ALA  31           H        ALA  31  -2.122   5.308   3.494
  233    HA   ALA  31           HA       ALA  31  -2.030   5.958   6.204
  234   1HB   ALA  31          1HB       ALA  31  -2.234   3.423   4.675
  235   2HB   ALA  31          3HB       ALA  31  -1.871   3.332   6.400
  236   3HB   ALA  31          2HB       ALA  31  -3.344   4.132   5.848
  237    H    THR  32           H        THR  32  -0.718   3.919   7.491
  238    HA   THR  32           HA       THR  32   2.120   4.360   6.851
  239    HB   THR  32           HB       THR  32   2.636   5.189   8.872
  240    HG1  THR  32           HG1      THR  32   1.341   4.388  10.803
  241   1HG2  THR  32          2HG2      THR  32   0.243   6.189   8.086
  242   2HG2  THR  32          1HG2      THR  32  -0.151   5.624   9.709
  243   3HG2  THR  32          3HG2      THR  32   1.156   6.784   9.472
  244   1HB   TYR  33          2HB       TYR  33   5.205   1.274   7.970
  245   2HB   TYR  33          1HB       TYR  33   4.852   0.860   9.641
  246    H    TYR  33           H        TYR  33   3.551   2.813   8.099
  247    HA   TYR  33           HA       TYR  33   2.913   0.175   7.451
  248    HD1  TYR  33           HD1      TYR  33   5.564  -0.507   6.299
  249    HD2  TYR  33           HD2      TYR  33   4.967  -1.405  10.414
  250    HE1  TYR  33           HE1      TYR  33   6.450  -2.768   5.928
  251    HE2  TYR  33           HE2      TYR  33   5.852  -3.670  10.054
  252    HH   TYR  33           HH       TYR  33   6.685  -5.111   8.591
  253   1HB   LYS  34          2HB       LYS  34   2.619   2.307  12.604
  254   2HB   LYS  34          1HB       LYS  34   0.938   2.111  13.076
  255   1HG   LYS  34          2HG       LYS  34   1.455   0.933  14.909
  256   2HG   LYS  34          1HG       LYS  34   2.744   0.040  14.099
  257   1HD   LYS  34          2HD       LYS  34   4.288   1.817  14.403
  258   2HD   LYS  34          1HD       LYS  34   3.013   2.927  14.907
  259   1HE   LYS  34          2HE       LYS  34   2.812   0.786  16.669
  260   2HE   LYS  34          1HE       LYS  34   4.547   1.036  16.472
  261    H    LYS  34           H        LYS  34   2.930   1.768  10.625
  262    HA   LYS  34           HA       LYS  34   2.093  -0.395  12.163
  263   1HZ   LYS  34          2HZ       LYS  34   3.134   3.497  16.804
  264   2HZ   LYS  34          1HZ       LYS  34   2.891   2.453  18.113
  265   3HZ   LYS  34          3HZ       LYS  34   4.461   2.893  17.661
  266   1HB   GLN  35          2HB       GLN  35  -1.633   2.550   8.760
  267   2HB   GLN  35          1HB       GLN  35  -3.228   2.502   9.489
  268   1HG   GLN  35          2HG       GLN  35  -2.315   3.771  11.423
  269   2HG   GLN  35          1HG       GLN  35  -0.802   3.934  10.532
  270   1HE2  GLN  35          1HE2      GLN  35  -3.170   5.735  11.442
  271   2HE2  GLN  35          2HE2      GLN  35  -3.442   6.727  10.054
  272    H    GLN  35           H        GLN  35   0.158   2.108  10.549
  273    HA   GLN  35           HA       GLN  35  -2.358   1.231  11.383
  274   1HB   LEU  36          2HB       LEU  36   0.475  -0.689   7.007
  275   2HB   LEU  36          1HB       LEU  36   0.509  -2.430   7.192
  276    H    LEU  36           H        LEU  36  -0.290   0.213   8.725
  277    HA   LEU  36           HA       LEU  36  -2.194  -1.420   7.414
  278    HG   LEU  36           HG       LEU  36   0.245  -1.410   4.823
  279   1HD1  LEU  36          2HD1      LEU  36  -1.251  -3.696   6.018
  280   2HD1  LEU  36          1HD1      LEU  36  -1.507  -3.282   4.323
  281   3HD1  LEU  36          3HD1      LEU  36   0.108  -3.703   4.894
  282   1HD2  LEU  36          2HD2      LEU  36  -1.923  -0.190   5.979
  283   2HD2  LEU  36          1HD2      LEU  36  -1.653  -0.385   4.247
  284   3HD2  LEU  36          3HD2      LEU  36  -2.651  -1.549   5.119
  285   1HB   GLU  37          2HB       GLU  37   1.332  -3.264  11.659
  286   2HB   GLU  37          1HB       GLU  37  -0.026  -2.635  12.574
  287   1HG   GLU  37          2HG       GLU  37   0.779  -4.239  13.994
  288   2HG   GLU  37          1HG       GLU  37  -0.474  -5.127  13.126
  289    H    GLU  37           H        GLU  37  -0.140  -1.865  10.174
  290    HA   GLU  37           HA       GLU  37  -0.212  -4.680  10.353
  291    H    ALA  38           H        ALA  38  -2.084  -2.216  12.079
  292    HA   ALA  38           HA       ALA  38  -3.879  -3.874  13.389
  293   1HB   ALA  38          2HB       ALA  38  -3.647  -1.436  13.776
  294   2HB   ALA  38          3HB       ALA  38  -5.324  -1.948  13.590
  295   3HB   ALA  38          1HB       ALA  38  -4.494  -1.146  12.256
  296    H    ALA  39           H        ALA  39  -3.772  -2.814  10.083
  297    HA   ALA  39           HA       ALA  39  -6.419  -3.604   9.363
  298   1HB   ALA  39          1HB       ALA  39  -4.026  -3.298   7.555
  299   2HB   ALA  39          2HB       ALA  39  -5.040  -1.959   8.096
  300   3HB   ALA  39          3HB       ALA  39  -5.727  -3.236   7.093
  301   1HB   ARG  40          2HB       ARG  40  -1.660  -6.740   8.556
  302   2HB   ARG  40          1HB       ARG  40  -1.909  -7.223  10.228
  303   1HG   ARG  40          2HG       ARG  40  -2.089  -9.508   9.638
  304   2HG   ARG  40          1HG       ARG  40  -2.197  -9.125   7.919
  305   1HD   ARG  40          2HD       ARG  40   0.093  -8.302   7.941
  306   2HD   ARG  40          1HD       ARG  40   0.207  -8.625   9.670
  307   1HH1  ARG  40          1HH1      ARG  40   0.136  -9.941  10.939
  308   2HH1  ARG  40          2HH1      ARG  40   0.660 -11.530  11.388
  309   1HH2  ARG  40          2HH2      ARG  40   0.953 -12.677   8.098
  310   2HH2  ARG  40          1HH2      ARG  40   1.124 -13.085   9.773
  311    H    ARG  40           H        ARG  40  -3.323  -5.175   9.578
  312    HA   ARG  40           HA       ARG  40  -3.994  -7.491   8.056
  313    HE   ARG  40           HE       ARG  40   0.261 -10.583   7.518
  314   1HB   LYS  41          2HB       LYS  41  -6.131  -6.500  13.448
  315   2HB   LYS  41          1HB       LYS  41  -5.626  -7.861  14.440
  316   1HG   LYS  41          2HG       LYS  41  -3.245  -7.258  13.745
  317   2HG   LYS  41          1HG       LYS  41  -3.932  -5.732  13.183
  318   1HD   LYS  41          2HD       LYS  41  -4.121  -4.937  15.262
  319   2HD   LYS  41          1HD       LYS  41  -4.823  -6.443  15.859
  320   1HE   LYS  41          2HE       LYS  41  -2.686  -5.890  16.956
  321   2HE   LYS  41          1HE       LYS  41  -2.630  -7.424  16.088
  322    H    LYS  41           H        LYS  41  -4.263  -6.570  11.421
  323    HA   LYS  41           HA       LYS  41  -4.779  -9.041  12.574
  324   1HZ   LYS  41          3HZ       LYS  41  -1.561  -6.237  14.232
  325   2HZ   LYS  41          2HZ       LYS  41  -1.524  -4.827  15.165
  326   3HZ   LYS  41          1HZ       LYS  41  -0.642  -6.186  15.651
  327   1HG1  ILE  42          2HG1      ILE  42  -8.837  -5.234   8.703
  328   2HG1  ILE  42          1HG1      ILE  42  -8.007  -6.763   8.427
  329    H    ILE  42           H        ILE  42  -6.759  -7.096  10.521
  330    HA   ILE  42           HA       ILE  42  -9.177  -8.576  11.241
  331    HB   ILE  42           HB       ILE  42 -10.430  -6.992  10.076
  332   1HG2  ILE  42          1HG2      ILE  42  -8.036  -5.562  11.215
  333   2HG2  ILE  42          3HG2      ILE  42  -9.566  -4.786  10.807
  334   3HG2  ILE  42          2HG2      ILE  42  -9.511  -6.017  12.069
  335   1HD1  ILE  42          1HD1      ILE  42 -10.948  -6.614   8.006
  336   2HD1  ILE  42          3HD1      ILE  42  -9.858  -5.942   6.793
  337   3HD1  ILE  42          2HD1      ILE  42  -9.747  -7.647   7.232
  338   1HA   GLY  43          1HA       GLY  43  -8.127 -10.633   7.386
  339   2HA   GLY  43          2HA       GLY  43  -6.381 -10.598   7.600
  340    H    GLY  43           H        GLY  43  -6.643  -8.657   8.992
  341   1HB   PHE  44          2HB       PHE  44  -6.647  -5.555   6.288
  342   2HB   PHE  44          1HB       PHE  44  -4.914  -5.736   6.046
  343    H    PHE  44           H        PHE  44  -5.894  -7.911   7.125
  344    HA   PHE  44           HA       PHE  44  -6.973  -7.307   4.490
  345    HD1  PHE  44           HD1      PHE  44  -7.177  -6.026   3.212
  346    HD2  PHE  44           HD2      PHE  44  -4.714  -3.384   5.458
  347    HE1  PHE  44           HE1      PHE  44  -7.274  -4.385   1.380
  348    HE2  PHE  44           HE2      PHE  44  -4.807  -1.737   3.633
  349    HZ   PHE  44           HZ       PHE  44  -6.090  -2.237   1.591
  350   1HB   HIS  45          2HB       HIS  45  -3.337 -11.143   3.561
  351   2HB   HIS  45          1HB       HIS  45  -5.029 -11.186   3.083
  352    H    HIS  45           H        HIS  45  -6.016  -9.139   3.422
  353    HA   HIS  45           HA       HIS  45  -3.107  -8.947   3.039
  354    HD1  HIS  45           HD1      HIS  45  -5.509 -12.467   1.025
  355    HD2  HIS  45           HD2      HIS  45  -1.555 -11.203   1.171
  356    HE1  HIS  45           HE1      HIS  45  -4.396 -13.499  -0.977
  357    HE2  HIS  45           HE2      HIS  45  -1.992 -12.764  -0.840
  358    H    VAL  46           H        VAL  46  -2.274  -8.391   1.139
  359    HA   VAL  46           HA       VAL  46  -3.658  -8.755  -1.346
  360    HB   VAL  46           HB       VAL  46  -4.772  -6.805  -1.317
  361   1HG1  VAL  46          2HG1      VAL  46  -3.545  -6.586   1.179
  362   2HG1  VAL  46          1HG1      VAL  46  -3.231  -5.051   0.369
  363   3HG1  VAL  46          3HG1      VAL  46  -4.887  -5.624   0.560
  364   1HG2  VAL  46          1HG2      VAL  46  -3.008  -6.305  -2.917
  365   2HG2  VAL  46          3HG2      VAL  46  -3.515  -4.845  -2.068
  366   3HG2  VAL  46          2HG2      VAL  46  -2.006  -5.644  -1.625
  367   1HB   CYS  47          2HB       CYS  47   0.000  -9.535  -4.998
  368   2HB   CYS  47          1HB       CYS  47   0.928 -10.463  -3.823
  369    H    CYS  47           H        CYS  47  -2.144  -9.238  -2.796
  370    HA   CYS  47           HA       CYS  47   0.622  -8.939  -2.207
  371    H    ALA  48           H        ALA  48  -1.249  -6.519  -2.819
  372    HA   ALA  48           HA       ALA  48   0.454  -5.256  -4.852
  373   1HB   ALA  48          3HB       ALA  48  -2.142  -5.320  -4.999
  374   2HB   ALA  48          1HB       ALA  48  -1.282  -3.833  -5.397
  375   3HB   ALA  48          2HB       ALA  48  -2.060  -4.009  -3.823
  376    H    ALA  49           H        ALA  49   2.007  -3.968  -4.157
  377    HA   ALA  49           HA       ALA  49   2.255  -3.211  -1.431
  378   1HB   ALA  49          2HB       ALA  49   4.367  -3.139  -2.103
  379   2HB   ALA  49          1HB       ALA  49   3.879  -3.145  -3.798
  380   3HB   ALA  49          3HB       ALA  49   4.003  -1.620  -2.922
  381   1HA   GLY  50          2HA       GLY  50  -0.284   0.197  -0.352
  382   2HA   GLY  50          1HA       GLY  50   0.076   0.557  -2.033
  383    H    GLY  50           H        GLY  50   1.260  -1.588  -0.436
  384   1HB   TRP  51          2HB       TRP  51   1.512   4.638  -2.703
  385   2HB   TRP  51          1HB       TRP  51   2.889   5.459  -1.974
  386    H    TRP  51           H        TRP  51   1.127   2.392  -2.336
  387    HA   TRP  51           HA       TRP  51   3.503   3.110  -1.050
  388    HD1  TRP  51           HD1      TRP  51   1.951   3.163  -4.829
  389    HE1  TRP  51           HE1      TRP  51   4.025   2.761  -6.313
  390    HE3  TRP  51           HE3      TRP  51   5.519   5.287  -1.840
  391    HZ2  TRP  51           HZ2      TRP  51   6.796   3.283  -6.225
  392    HZ3  TRP  51           HZ3      TRP  51   7.855   5.295  -2.615
  393    HH2  TRP  51           HH2      TRP  51   8.478   4.314  -4.762
  394   1HB   MET  52          2HB       MET  52   2.267   4.147   4.383
  395   2HB   MET  52          1HB       MET  52   1.114   3.583   3.182
  396   1HG   MET  52          2HG       MET  52   2.539   1.887   2.441
  397   2HG   MET  52          1HG       MET  52   3.949   2.619   3.204
  398    H    MET  52           H        MET  52   3.828   3.738   0.968
  399    HA   MET  52           HA       MET  52   1.921   5.554   2.240
  400   1HE   MET  52          1HE       MET  52   3.423  -0.383   3.414
  401   2HE   MET  52          3HE       MET  52   4.709   0.309   4.404
  402   3HE   MET  52          2HE       MET  52   3.520  -0.771   5.132
  403    H    ALA  53           H        ALA  53   2.922   6.045   4.591
  404    HA   ALA  53           HA       ALA  53   4.517   7.359   5.585
  405   1HB   ALA  53          1HB       ALA  53   6.633   5.470   4.728
  406   2HB   ALA  53          2HB       ALA  53   5.286   4.818   5.660
  407   3HB   ALA  53          3HB       ALA  53   6.271   6.121   6.327
  408   1HB   LYS  54          2HB       LYS  54   9.183   8.335   4.850
  409   2HB   LYS  54          1HB       LYS  54   9.857   8.612   3.251
  410   1HG   LYS  54          2HG       LYS  54   9.515  10.999   3.486
  411   2HG   LYS  54          1HG       LYS  54   8.755  10.753   5.059
  412   1HD   LYS  54          2HD       LYS  54  10.864   9.777   5.892
  413   2HD   LYS  54          1HD       LYS  54  11.614  10.122   4.332
  414   1HE   LYS  54          2HE       LYS  54  11.012  12.535   4.692
  415   2HE   LYS  54          1HE       LYS  54  10.542  12.098   6.335
  416    H    LYS  54           H        LYS  54   7.222   7.696   5.068
  417    HA   LYS  54           HA       LYS  54   7.281   9.810   3.314
  418   1HZ   LYS  54          3HZ       LYS  54  12.901  11.121   6.458
  419   2HZ   LYS  54          2HZ       LYS  54  13.227  12.103   5.121
  420   3HZ   LYS  54          1HZ       LYS  54  12.713  12.799   6.575
  421   1HA   GLY  55          1HA       GLY  55   8.128   6.903  -0.146
  422   2HA   GLY  55          2HA       GLY  55   6.413   6.537  -0.020
  423    H    GLY  55           H        GLY  55   6.934   6.574   2.520
  424   1HB   ARG  56          2HB       ARG  56   7.736   3.511   3.900
  425   2HB   ARG  56          1HB       ARG  56   6.656   2.143   3.668
  426   1HG   ARG  56          2HG       ARG  56   8.632   0.740   3.142
  427   2HG   ARG  56          1HG       ARG  56   9.663   2.117   3.537
  428   1HD   ARG  56          2HD       ARG  56   7.664   1.472   5.580
  429   2HD   ARG  56          1HD       ARG  56   8.856   0.204   5.305
  430   1HH1  ARG  56          2HH1      ARG  56   7.340   2.974   6.338
  431   2HH1  ARG  56          1HH1      ARG  56   7.814   4.219   7.445
  432   1HH2  ARG  56          1HH2      ARG  56  11.202   3.354   7.417
  433   2HH2  ARG  56          2HH2      ARG  56  10.011   4.436   8.057
  434    H    ARG  56           H        ARG  56   6.797   4.825   2.337
  435    HA   ARG  56           HA       ARG  56   8.474   2.650   1.412
  436    HE   ARG  56           HE       ARG  56  10.565   1.718   5.961
  437    H    VAL  57           H        VAL  57   7.809   0.859   0.375
  438    HA   VAL  57           HA       VAL  57   4.908   0.524  -0.023
  439    HB   VAL  57           HB       VAL  57   5.169   0.095  -2.230
  440   1HG1  VAL  57          1HG1      VAL  57   7.378   1.850  -1.360
  441   2HG1  VAL  57          3HG1      VAL  57   7.459   1.246  -3.016
  442   3HG1  VAL  57          2HG1      VAL  57   6.051   2.162  -2.479
  443   1HG2  VAL  57          3HG2      VAL  57   7.843  -1.115  -1.559
  444   2HG2  VAL  57          2HG2      VAL  57   6.366  -1.950  -2.042
  445   3HG2  VAL  57          1HG2      VAL  57   7.235  -0.949  -3.206
  446   1HA   GLY  58          2HA       GLY  58   4.998  -3.323   1.945
  447   2HA   GLY  58          1HA       GLY  58   5.610  -3.868   0.392
  448    H    GLY  58           H        GLY  58   4.018  -1.497   0.154
  449   1HB   TYR  59          2HB       TYR  59   1.608  -7.437  -1.125
  450   2HB   TYR  59          1HB       TYR  59   1.865  -5.790  -1.693
  451    H    TYR  59           H        TYR  59   4.324  -5.785   0.866
  452    HA   TYR  59           HA       TYR  59   1.439  -5.421   0.549
  453    HD1  TYR  59           HD1      TYR  59   4.320  -4.962  -1.788
  454    HD2  TYR  59           HD2      TYR  59   3.226  -9.073  -1.520
  455    HE1  TYR  59           HE1      TYR  59   6.530  -5.602  -2.656
  456    HE2  TYR  59           HE2      TYR  59   5.433  -9.718  -2.391
  457    HH   TYR  59           HH       TYR  59   7.239  -8.704  -3.769
  458   1HB   PRO  60          2HB       PRO  60  -0.582  -8.299   4.717
  459   2HB   PRO  60          1HB       PRO  60   0.713  -7.206   5.207
  460   1HG   PRO  60          2HG       PRO  60  -1.438  -6.808   3.177
  461   2HG   PRO  60          1HG       PRO  60  -0.771  -5.656   4.347
  462   1HD   PRO  60          1HD       PRO  60  -0.080  -5.660   1.722
  463   2HD   PRO  60          2HD       PRO  60   1.027  -5.147   3.010
  464    HA   PRO  60           HA       PRO  60   1.988  -8.506   3.820
  465   1HG1  ILE  61          2HG1      ILE  61   3.017 -10.582   0.862
  466   2HG1  ILE  61          1HG1      ILE  61   3.149 -11.608  -0.562
  467    H    ILE  61           H        ILE  61   2.153 -10.401   2.692
  468    HA   ILE  61           HA       ILE  61  -0.191 -11.439   1.300
  469    HB   ILE  61           HB       ILE  61   2.437 -12.869   1.452
  470   1HG2  ILE  61          2HG2      ILE  61  -0.017 -13.253   0.106
  471   2HG2  ILE  61          1HG2      ILE  61   1.192 -12.841  -1.110
  472   3HG2  ILE  61          3HG2      ILE  61   1.460 -14.206  -0.026
  473   1HD1  ILE  61          3HD1      ILE  61   0.559 -10.265  -0.165
  474   2HD1  ILE  61          2HD1      ILE  61   1.933  -9.235  -0.568
  475   3HD1  ILE  61          1HD1      ILE  61   1.479 -10.560  -1.641
  476    H    VAL  62           H        VAL  62  -1.578 -12.161   2.851
  477    HA   VAL  62           HA       VAL  62  -0.606 -13.987   4.909
  478    HB   VAL  62           HB       VAL  62  -3.440 -13.035   4.503
  479   1HG1  VAL  62          1HG1      VAL  62  -2.318 -14.951   6.204
  480   2HG1  VAL  62          3HG1      VAL  62  -2.623 -13.539   7.215
  481   3HG1  VAL  62          2HG1      VAL  62  -3.939 -14.260   6.289
  482   1HG2  VAL  62          3HG2      VAL  62  -1.789 -11.156   4.774
  483   2HG2  VAL  62          2HG2      VAL  62  -3.043 -11.241   6.010
  484   3HG2  VAL  62          1HG2      VAL  62  -1.415 -11.815   6.367
  485   1HB   LYS  63          2HB       LYS  63  -4.825 -14.963   1.792
  486   2HB   LYS  63          1HB       LYS  63  -4.325 -15.258   0.134
  487   1HG   LYS  63          2HG       LYS  63  -4.925 -17.637   1.783
  488   2HG   LYS  63          1HG       LYS  63  -6.286 -16.613   1.322
  489   1HD   LYS  63          2HD       LYS  63  -5.640 -16.805  -1.028
  490   2HD   LYS  63          1HD       LYS  63  -4.269 -17.816  -0.572
  491   1HE   LYS  63          2HE       LYS  63  -5.805 -19.489   0.335
  492   2HE   LYS  63          1HE       LYS  63  -7.175 -18.480  -0.119
  493    H    LYS  63           H        LYS  63  -2.442 -13.963   1.947
  494    HA   LYS  63           HA       LYS  63  -2.984 -16.841   2.265
  495   1HZ   LYS  63          3HZ       LYS  63  -5.498 -18.891  -2.354
  496   2HZ   LYS  63          2HZ       LYS  63  -5.902 -20.385  -1.671
  497   3HZ   LYS  63          1HZ       LYS  63  -7.123 -19.318  -2.152
  498   1HB   PRO  64          2HB       PRO  64   1.445 -18.991  -0.242
  499   2HB   PRO  64          1HB       PRO  64   1.901 -17.465   0.521
  500   1HG   PRO  64          2HG       PRO  64   0.040 -19.589   1.490
  501   2HG   PRO  64          1HG       PRO  64   1.226 -18.639   2.399
  502   1HD   PRO  64          2HD       PRO  64  -1.427 -18.093   2.441
  503   2HD   PRO  64          1HD       PRO  64  -0.188 -16.830   2.596
  504    HA   PRO  64           HA       PRO  64   0.363 -16.573  -0.915
  505   1HA   GLY  65          2HA       GLY  65  -1.545 -19.152  -3.806
  506   2HA   GLY  65          1HA       GLY  65  -0.412 -20.405  -3.319
  507    H    GLY  65           H        GLY  65   0.837 -18.022  -2.717
  508   1HB   PRO  66          2HB       PRO  66  -0.319 -16.781  -8.671
  509   2HB   PRO  66          1HB       PRO  66  -1.284 -18.252  -8.519
  510   1HG   PRO  66          2HG       PRO  66  -1.238 -15.822  -6.770
  511   2HG   PRO  66          1HG       PRO  66  -2.628 -16.764  -7.340
  512   1HD   PRO  66          2HD       PRO  66  -1.545 -17.034  -4.847
  513   2HD   PRO  66          1HD       PRO  66  -2.386 -18.346  -5.696
  514    HA   PRO  66           HA       PRO  66   0.685 -19.053  -7.626
  515   1HB   ASN  67          2HB       ASN  67   2.446 -15.062 -10.120
  516   2HB   ASN  67          1HB       ASN  67   2.050 -13.707  -9.068
  517   1HD2  ASN  67          1HD2      ASN  67   3.217 -12.063  -9.775
  518   2HD2  ASN  67          2HD2      ASN  67   4.922 -12.084 -10.054
  519    H    ASN  67           H        ASN  67   1.154 -16.385  -8.812
  520    HA   ASN  67           HA       ASN  67   3.781 -15.968  -8.101
  521   1HB   CYS  68          2HB       CYS  68  -0.301 -14.696  -4.565
  522   2HB   CYS  68          1HB       CYS  68   0.097 -13.475  -3.360
  523    H    CYS  68           H        CYS  68   0.927 -14.958  -6.474
  524    HA   CYS  68           HA       CYS  68   1.898 -12.715  -5.082
  525   1HA   GLY  69          2HA       GLY  69   2.814 -17.304  -2.467
  526   2HA   GLY  69          1HA       GLY  69   2.779 -15.840  -1.493
  527    H    GLY  69           H        GLY  69   1.555 -16.084  -3.953
  528   1HB   PHE  70          2HB       PHE  70   6.012 -13.136  -1.126
  529   2HB   PHE  70          1HB       PHE  70   7.645 -13.625  -0.689
  530    H    PHE  70           H        PHE  70   4.663 -14.886  -1.070
  531    HA   PHE  70           HA       PHE  70   6.884 -15.171  -2.942
  532    HD1  PHE  70           HD1      PHE  70   5.550 -12.239  -3.378
  533    HD2  PHE  70           HD2      PHE  70   9.506 -13.074  -2.050
  534    HE1  PHE  70           HE1      PHE  70   6.450 -10.842  -5.191
  535    HE2  PHE  70           HE2      PHE  70  10.413 -11.677  -3.861
  536    HZ   PHE  70           HZ       PHE  70   8.884 -10.558  -5.435
  537   1HA   GLY  71          1HA       GLY  71   8.409 -17.581   0.602
  538   2HA   GLY  71          2HA       GLY  71   7.081 -18.709   0.346
  539    H    GLY  71           H        GLY  71   5.715 -16.626  -0.140
  540   1HB   LYS  72          2HB       LYS  72   7.766 -14.186   4.259
  541   2HB   LYS  72          1HB       LYS  72   7.601 -15.106   5.750
  542   1HG   LYS  72          2HG       LYS  72   9.510 -16.236   5.414
  543   2HG   LYS  72          1HG       LYS  72   9.233 -16.394   3.678
  544   1HD   LYS  72          2HD       LYS  72  10.396 -14.525   3.192
  545   2HD   LYS  72          1HD       LYS  72   9.793 -13.662   4.608
  546   1HE   LYS  72          2HE       LYS  72  12.059 -13.900   5.059
  547   2HE   LYS  72          1HE       LYS  72  11.329 -15.234   5.951
  548    H    LYS  72           H        LYS  72   7.495 -15.629   2.102
  549    HA   LYS  72           HA       LYS  72   6.678 -16.988   4.565
  550   1HZ   LYS  72          1HZ       LYS  72  12.174 -15.764   3.208
  551   2HZ   LYS  72          3HZ       LYS  72  13.394 -15.572   4.365
  552   3HZ   LYS  72          2HZ       LYS  72  12.218 -16.771   4.566
  553    H    THR  73           H        THR  73   5.297 -15.660   6.080
  554    HA   THR  73           HA       THR  73   3.121 -14.401   4.545
  555    HB   THR  73           HB       THR  73   2.005 -15.009   6.976
  556    HG1  THR  73           HG1      THR  73   4.012 -16.255   7.377
  557   1HG2  THR  73          2HG2      THR  73   1.918 -16.049   4.249
  558   2HG2  THR  73          1HG2      THR  73   1.439 -17.235   5.463
  559   3HG2  THR  73          3HG2      THR  73   0.601 -15.687   5.364
  560   1HA   GLY  74          2HA       GLY  74   4.024 -11.023   7.194
  561   2HA   GLY  74          1HA       GLY  74   2.292 -10.799   6.975
  562    H    GLY  74           H        GLY  74   2.705 -12.320   4.908
  563   1HG1  ILE  75          1HG1      ILE  75   1.915  -5.443   5.244
  564   2HG1  ILE  75          2HG1      ILE  75   1.747  -6.373   6.730
  565    H    ILE  75           H        ILE  75   3.356  -8.507   6.990
  566    HA   ILE  75           HA       ILE  75   2.967  -7.368   4.481
  567    HB   ILE  75           HB       ILE  75   4.174  -6.385   7.024
  568   1HG2  ILE  75          3HG2      ILE  75   4.323  -4.913   4.398
  569   2HG2  ILE  75          2HG2      ILE  75   4.588  -4.176   5.978
  570   3HG2  ILE  75          1HG2      ILE  75   5.676  -5.437   5.400
  571   1HD1  ILE  75          3HD1      ILE  75   2.905  -4.401   7.870
  572   2HD1  ILE  75          2HD1      ILE  75   2.545  -3.512   6.389
  573   3HD1  ILE  75          1HD1      ILE  75   1.233  -4.197   7.348
  574   1HG1  ILE  76          1HG1      ILE  76   5.339  -9.978   2.588
  575   2HG1  ILE  76          2HG1      ILE  76   4.319  -9.960   1.154
  576    H    ILE  76           H        ILE  76   4.142  -7.527   2.710
  577    HA   ILE  76           HA       ILE  76   6.991  -8.156   2.908
  578    HB   ILE  76           HB       ILE  76   5.274  -8.069   0.430
  579   1HG2  ILE  76          1HG2      ILE  76   7.771  -7.870   0.194
  580   2HG2  ILE  76          3HG2      ILE  76   7.886  -9.495   0.869
  581   3HG2  ILE  76          2HG2      ILE  76   7.035  -9.229  -0.653
  582   1HD1  ILE  76          1HD1      ILE  76   7.114 -11.059   1.226
  583   2HD1  ILE  76          3HD1      ILE  76   5.650 -12.024   1.420
  584   3HD1  ILE  76          2HD1      ILE  76   5.952 -11.176  -0.096
  585   1HB   ASP  77          2HB       ASP  77   6.550  -2.897   2.894
  586   2HB   ASP  77          1HB       ASP  77   7.205  -3.795   4.259
  587    H    ASP  77           H        ASP  77   7.747  -6.103   3.527
  588    HA   ASP  77           HA       ASP  77   7.714  -4.115   1.353
  589   1HB   TYR  78          2HB       TYR  78  11.290  -4.420  -0.639
  590   2HB   TYR  78          1HB       TYR  78  12.764  -3.473  -0.453
  591    H    TYR  78           H        TYR  78   9.641  -3.384   0.675
  592    HA   TYR  78           HA       TYR  78  12.021  -4.301   2.142
  593    HD1  TYR  78           HD1      TYR  78  14.479  -4.617   1.314
  594    HD2  TYR  78           HD2      TYR  78  11.581  -6.667  -1.032
  595    HE1  TYR  78           HE1      TYR  78  15.790  -6.687   1.515
  596    HE2  TYR  78           HE2      TYR  78  12.884  -8.743  -0.836
  597    HH   TYR  78           HH       TYR  78  14.576  -9.713   0.761
  598   1HA   GLY  79          2HA       GLY  79  12.554  -0.071   3.100
  599   2HA   GLY  79          1HA       GLY  79  10.846   0.353   3.135
  600    H    GLY  79           H        GLY  79  10.464  -1.850   2.641
  601   1HG1  ILE  80          1HG1      ILE  80  11.741   4.066   2.477
  602   2HG1  ILE  80          2HG1      ILE  80  12.570   5.604   2.263
  603    H    ILE  80           H        ILE  80  12.206   2.352   2.292
  604    HA   ILE  80           HA       ILE  80  11.328   2.997  -0.220
  605    HB   ILE  80           HB       ILE  80  13.858   4.076   1.019
  606   1HG2  ILE  80          3HG2      ILE  80  12.183   4.848  -1.282
  607   2HG2  ILE  80          2HG2      ILE  80  12.723   6.163  -0.237
  608   3HG2  ILE  80          1HG2      ILE  80  13.906   5.095  -0.994
  609   1HD1  ILE  80          2HD1      ILE  80  10.249   4.805   0.546
  610   2HD1  ILE  80          1HD1      ILE  80  10.041   5.607   2.103
  611   3HD1  ILE  80          3HD1      ILE  80  10.928   6.412   0.808
  612   1HB   ARG  81          2HB       ARG  81  12.279   1.709  -4.784
  613   2HB   ARG  81          1HB       ARG  81  13.259   0.248  -4.770
  614   1HG   ARG  81          2HG       ARG  81  11.158   0.624  -2.687
  615   2HG   ARG  81          1HG       ARG  81  10.699   0.123  -4.316
  616   1HD   ARG  81          2HD       ARG  81  12.472  -1.293  -2.348
  617   2HD   ARG  81          1HD       ARG  81  10.991  -1.875  -3.110
  618   1HH1  ARG  81          2HH1      ARG  81  13.233  -2.993  -2.133
  619   2HH1  ARG  81          1HH1      ARG  81  14.401  -4.108  -2.758
  620   1HH2  ARG  81          1HH2      ARG  81  14.087  -3.031  -6.070
  621   2HH2  ARG  81          2HH2      ARG  81  14.887  -4.130  -4.996
  622    H    ARG  81           H        ARG  81  11.868   2.438  -2.222
  623    HA   ARG  81           HA       ARG  81  14.192   0.761  -2.661
  624    HE   ARG  81           HE       ARG  81  12.551  -1.565  -5.235
  625   1HB   LEU  82          2HB       LEU  82  16.905   3.407  -3.391
  626   2HB   LEU  82          1HB       LEU  82  17.255   4.699  -4.520
  627    H    LEU  82           H        LEU  82  14.018   3.880  -2.256
  628    HA   LEU  82           HA       LEU  82  15.205   5.703  -2.910
  629    HG   LEU  82           HG       LEU  82  18.721   4.883  -2.617
  630   1HD1  LEU  82          1HD1      LEU  82  16.850   6.927  -3.377
  631   2HD1  LEU  82          3HD1      LEU  82  17.329   7.124  -1.692
  632   3HD1  LEU  82          2HD1      LEU  82  18.557   7.070  -2.956
  633   1HD2  LEU  82          2HD2      LEU  82  17.252   3.670  -1.029
  634   2HD2  LEU  82          1HD2      LEU  82  17.938   5.152  -0.364
  635   3HD2  LEU  82          3HD2      LEU  82  16.258   5.122  -0.898
  636   1HB   ASN  83          2HB       ASN  83  14.569   4.286  -7.672
  637   2HB   ASN  83          1HB       ASN  83  13.089   3.418  -7.277
  638   1HD2  ASN  83          2HD2      ASN  83  11.803   3.039  -8.916
  639   2HD2  ASN  83          1HD2      ASN  83  11.688   3.974 -10.364
  640    H    ASN  83           H        ASN  83  13.044   4.749  -4.596
  641    HA   ASN  83           HA       ASN  83  13.583   6.378  -6.896
  642   1HB   ARG  84          2HB       ARG  84  10.373   9.229  -6.184
  643   2HB   ARG  84          1HB       ARG  84   8.631   9.005  -6.243
  644   1HG   ARG  84          2HG       ARG  84   8.740   9.479  -4.060
  645   2HG   ARG  84          1HG       ARG  84   9.208   7.787  -3.907
  646   1HD   ARG  84          2HD       ARG  84  10.857  10.245  -3.689
  647   2HD   ARG  84          1HD       ARG  84  10.900   8.767  -2.728
  648   1HH1  ARG  84          1HH1      ARG  84  11.727  11.170  -4.791
  649   2HH1  ARG  84          2HH1      ARG  84  13.064  11.369  -5.873
  650   1HH2  ARG  84          1HH2      ARG  84  13.904   7.976  -5.924
  651   2HH2  ARG  84          2HH2      ARG  84  14.300   9.554  -6.518
  652    H    ARG  84           H        ARG  84  11.829   7.599  -6.287
  653    HA   ARG  84           HA       ARG  84   9.292   6.509  -5.622
  654    HE   ARG  84           HE       ARG  84  12.142   7.723  -4.498
  655   1HB   SER  85          2HB       SER  85  11.165   6.178 -10.431
  656   2HB   SER  85          1HB       SER  85  10.167   5.387 -11.650
  657    H    SER  85           H        SER  85  10.450   5.632  -8.207
  658    HA   SER  85           HA       SER  85   8.292   6.544  -9.993
  659    HG   SER  85           HG       SER  85   9.053   7.679 -11.390
  660   1HB   GLU  86          2HB       GLU  86   7.773   1.942  -6.843
  661   2HB   GLU  86          1HB       GLU  86   8.489   0.564  -7.662
  662   1HG   GLU  86          2HG       GLU  86  10.238   2.905  -7.415
  663   2HG   GLU  86          1HG       GLU  86   9.786   2.133  -5.896
  664    H    GLU  86           H        GLU  86   9.060   4.057  -8.059
  665    HA   GLU  86           HA       GLU  86   8.825   1.770  -9.658
  666   1HB   ARG  87          2HB       ARG  87   3.851   0.080 -11.617
  667   2HB   ARG  87          1HB       ARG  87   5.547   0.426 -11.918
  668   1HG   ARG  87          2HG       ARG  87   5.470  -1.721 -10.100
  669   2HG   ARG  87          1HG       ARG  87   4.295  -2.072 -11.367
  670   1HD   ARG  87          2HD       ARG  87   7.225  -1.460 -11.693
  671   2HD   ARG  87          1HD       ARG  87   6.396  -2.975 -12.048
  672   1HH1  ARG  87          2HH1      ARG  87   7.778   0.027 -12.326
  673   2HH1  ARG  87          1HH1      ARG  87   8.035   1.070 -13.685
  674   1HH2  ARG  87          1HH2      ARG  87   5.743  -0.579 -15.749
  675   2HH2  ARG  87          2HH2      ARG  87   6.878   0.725 -15.632
  676    H    ARG  87           H        ARG  87   6.956   0.229  -9.557
  677    HA   ARG  87           HA       ARG  87   4.454   1.700 -10.010
  678    HE   ARG  87           HE       ARG  87   5.414  -1.945 -13.953
  679   1HB   TRP  88          2HB       TRP  88   3.604   1.194  -5.590
  680   2HB   TRP  88          1HB       TRP  88   2.686  -0.134  -4.892
  681    H    TRP  88           H        TRP  88   3.112   1.555  -8.348
  682    HA   TRP  88           HA       TRP  88   2.459  -1.053  -7.250
  683    HD1  TRP  88           HD1      TRP  88   6.078   0.825  -5.193
  684    HE1  TRP  88           HE1      TRP  88   7.686  -1.184  -5.213
  685    HE3  TRP  88           HE3      TRP  88   2.719  -2.882  -6.223
  686    HZ2  TRP  88           HZ2      TRP  88   7.542  -3.981  -5.606
  687    HZ3  TRP  88           HZ3      TRP  88   3.532  -5.197  -6.406
  688    HH2  TRP  88           HH2      TRP  88   5.895  -5.733  -6.106
  689   1HB   ASP  89          2HB       ASP  89  -1.250  -0.951  -4.448
  690   2HB   ASP  89          1HB       ASP  89  -2.612   0.160  -4.578
  691    H    ASP  89           H        ASP  89   0.952  -0.241  -5.096
  692    HA   ASP  89           HA       ASP  89  -1.165   1.341  -6.392
  693    H    ALA  90           H        ALA  90  -2.317   1.122  -3.446
  694    HA   ALA  90           HA       ALA  90  -0.636   2.809  -1.902
  695   1HB   ALA  90          3HB       ALA  90  -1.184   4.528  -3.447
  696   2HB   ALA  90          1HB       ALA  90  -2.102   4.837  -1.971
  697   3HB   ALA  90          2HB       ALA  90  -2.902   4.130  -3.375
  698   1HB   TYR  91          2HB       TYR  91  -1.046   1.594   2.211
  699   2HB   TYR  91          1HB       TYR  91  -2.481   1.287   3.181
  700    H    TYR  91           H        TYR  91  -1.142   2.534   0.159
  701    HA   TYR  91           HA       TYR  91  -3.686   1.281   0.836
  702    HD1  TYR  91           HD1      TYR  91  -4.013  -0.670   1.793
  703    HD2  TYR  91           HD2      TYR  91   0.226  -0.302   2.005
  704    HE1  TYR  91           HE1      TYR  91  -3.783  -3.079   1.377
  705    HE2  TYR  91           HE2      TYR  91   0.461  -2.711   1.578
  706    HH   TYR  91           HH       TYR  91  -1.491  -4.547   0.266
  707   1HB   CYS  92          2HB       CYS  92  -7.021   4.369   0.786
  708   2HB   CYS  92          1HB       CYS  92  -6.956   6.036   1.330
  709    H    CYS  92           H        CYS  92  -4.802   3.365   0.331
  710    HA   CYS  92           HA       CYS  92  -4.481   5.749   1.643
  711   1HB   TYR  93          2HB       TYR  93  -4.639   4.863   5.775
  712   2HB   TYR  93          1HB       TYR  93  -4.703   6.591   6.108
  713    H    TYR  93           H        TYR  93  -6.059   6.675   3.283
  714    HA   TYR  93           HA       TYR  93  -7.114   4.956   5.298
  715    HD1  TYR  93           HD1      TYR  93  -6.963   7.073   7.721
  716    HD2  TYR  93           HD2      TYR  93  -4.471   3.624   7.707
  717    HE1  TYR  93           HE1      TYR  93  -7.616   6.600  10.044
  718    HE2  TYR  93           HE2      TYR  93  -5.117   3.140  10.028
  719    HH   TYR  93           HH       TYR  93  -6.086   4.046  11.898
  720   1HB   ASN  94          2HB       ASN  94  -8.944   9.093   4.600
  721   2HB   ASN  94          1HB       ASN  94 -10.355   8.039   4.595
  722   1HD2  ASN  94          1HD2      ASN  94 -10.989  10.258   3.577
  723   2HD2  ASN  94          2HD2      ASN  94 -11.779  11.340   4.669
  724    H    ASN  94           H        ASN  94  -8.744   5.996   6.243
  725    HA   ASN  94           HA       ASN  94  -8.653   8.727   6.999
  726   1HB   PRO  95          2HB       PRO  95 -11.999   8.766  11.324
  727   2HB   PRO  95          1HB       PRO  95 -10.603   7.687  11.391
  728   1HG   PRO  95          2HG       PRO  95 -10.842  10.410  10.169
  729   2HG   PRO  95          1HG       PRO  95  -9.524   9.733  11.144
  730   1HD   PRO  95          2HD       PRO  95  -9.399   9.904   8.447
  731   2HD   PRO  95          1HD       PRO  95  -8.618   8.594   9.357
  732    HA   PRO  95           HA       PRO  95 -11.649   6.685   9.608
  733   1HB   HIS  96          2HB       HIS  96 -13.798  11.491   8.208
  734   2HB   HIS  96          1HB       HIS  96 -13.217  11.316   6.554
  735    H    HIS  96           H        HIS  96 -12.095   9.110   7.400
  736    HA   HIS  96           HA       HIS  96 -14.966   9.330   8.027
  737    HD1  HIS  96           HD1      HIS  96 -16.400  11.885   8.497
  738    HD2  HIS  96           HD2      HIS  96 -14.983  12.100   4.597
  739    HE1  HIS  96           HE1      HIS  96 -18.225  13.007   7.179
  740    HE2  HIS  96           HE2      HIS  96 -17.308  13.206   4.840
  741    H    ALA  97           H        ALA  97 -12.728   7.988   5.980
  742    HA   ALA  97           HA       ALA  97 -14.187   8.223   3.508
  743   1HB   ALA  97          3HB       ALA  97 -11.981   6.268   4.109
  744   2HB   ALA  97          2HB       ALA  97 -12.482   6.898   2.540
  745   3HB   ALA  97          1HB       ALA  97 -11.682   7.957   3.701
  746   1HB   LYS  98          2HB       LYS  98 -18.272   4.762   6.369
  747   2HB   LYS  98          1HB       LYS  98 -16.762   5.264   7.118
  748   1HG   LYS  98          2HG       LYS  98 -17.731   7.201   7.573
  749   2HG   LYS  98          1HG       LYS  98 -17.718   7.546   5.843
  750   1HD   LYS  98          2HD       LYS  98 -19.916   6.630   5.577
  751   2HD   LYS  98          1HD       LYS  98 -19.924   6.039   7.240
  752   1HE   LYS  98          2HE       LYS  98 -19.389   8.744   7.490
  753   2HE   LYS  98          1HE       LYS  98 -20.588   8.663   6.199
  754    H    LYS  98           H        LYS  98 -16.069   7.374   5.115
  755    HA   LYS  98           HA       LYS  98 -16.214   4.453   4.947
  756   1HZ   LYS  98          3HZ       LYS  98 -21.143   7.017   8.519
  757   2HZ   LYS  98          2HZ       LYS  98 -21.199   8.686   8.791
  758   3HZ   LYS  98          1HZ       LYS  98 -22.183   7.989   7.605

  No H/Q in entry =         758
  Start of MODEL   11
    1   1HA   GLY   1          2HA       GLY   1  -9.526   2.234   8.666
    2   2HA   GLY   1          1HA       GLY   1  -9.640   3.986   8.588
    3    H1   GLY   1          2H        GLY   1 -11.466   3.504   6.850
    4    H2   GLY   1          1H        GLY   1 -11.511   1.965   7.552
    5    H3   GLY   1          3H        GLY   1 -11.827   3.335   8.494
    6    H    VAL   2           H        VAL   2  -7.682   1.751   7.644
    7    HA   VAL   2           HA       VAL   2  -6.866   3.178   5.265
    8    HB   VAL   2           HB       VAL   2  -5.018   2.660   6.559
    9   1HG1  VAL   2          3HG1      VAL   2  -6.548   0.236   7.242
   10   2HG1  VAL   2          2HG1      VAL   2  -4.794   0.059   7.216
   11   3HG1  VAL   2          1HG1      VAL   2  -5.544   1.271   8.257
   12   1HG2  VAL   2          3HG2      VAL   2  -5.253   1.396   4.092
   13   2HG2  VAL   2          2HG2      VAL   2  -3.761   1.745   4.966
   14   3HG2  VAL   2          1HG2      VAL   2  -4.548   0.178   5.155
   15   1HB   TYR   3          2HB       TYR   3  -9.521   0.777   0.860
   16   2HB   TYR   3          1HB       TYR   3 -10.101   0.952   2.511
   17    H    TYR   3           H        TYR   3  -7.289   2.594   3.241
   18    HA   TYR   3           HA       TYR   3  -8.065  -0.195   2.726
   19    HD1  TYR   3           HD1      TYR   3  -8.844   3.271   3.577
   20    HD2  TYR   3           HD2      TYR   3 -10.119   2.579  -0.421
   21    HE1  TYR   3           HE1      TYR   3  -9.086   5.697   3.241
   22    HE2  TYR   3           HE2      TYR   3 -10.359   5.000  -0.772
   23    HH   TYR   3           HH       TYR   3 -10.747   7.040   0.675
   24   1HB   HIS   4          2HB       HIS   4  -4.914  -1.940  -1.231
   25   2HB   HIS   4          1HB       HIS   4  -6.388  -2.363  -0.373
   26    H    HIS   4           H        HIS   4  -7.847  -0.794   0.392
   27    HA   HIS   4           HA       HIS   4  -5.264   0.168  -0.564
   28    HD1  HIS   4           HD1      HIS   4  -8.595  -2.492  -1.851
   29    HD2  HIS   4           HD2      HIS   4  -5.026  -2.213  -3.959
   30    HE1  HIS   4           HE1      HIS   4  -9.153  -3.169  -4.206
   31    HE2  HIS   4           HE2      HIS   4  -7.001  -2.891  -5.487
   32   1HB   ARG   5          2HB       ARG   5  -5.775   3.543  -2.937
   33   2HB   ARG   5          1HB       ARG   5  -6.299   3.844  -4.587
   34   1HG   ARG   5          2HG       ARG   5  -8.020   3.102  -2.234
   35   2HG   ARG   5          1HG       ARG   5  -7.986   4.638  -3.102
   36   1HD   ARG   5          2HD       ARG   5  -8.616   3.241  -5.166
   37   2HD   ARG   5          1HD       ARG   5  -9.051   1.986  -4.009
   38   1HH1  ARG   5          2HH1      ARG   5 -10.567   1.467  -5.050
   39   2HH1  ARG   5          1HH1      ARG   5 -12.294   1.551  -5.146
   40   1HH2  ARG   5          2HH2      ARG   5 -12.513   4.697  -3.634
   41   2HH2  ARG   5          1HH2      ARG   5 -13.401   3.388  -4.340
   42    H    ARG   5           H        ARG   5  -4.915   0.985  -2.617
   43    HA   ARG   5           HA       ARG   5  -7.196   1.359  -4.390
   44    HE   ARG   5           HE       ARG   5 -10.239   4.575  -3.513
   45   1HB   GLU   6          2HB       GLU   6  -4.383  -0.139  -9.005
   46   2HB   GLU   6          1HB       GLU   6  -5.444  -0.684  -7.715
   47   1HG   GLU   6          2HG       GLU   6  -6.240   1.295  -9.834
   48   2HG   GLU   6          1HG       GLU   6  -6.556  -0.438  -9.918
   49    H    GLU   6           H        GLU   6  -6.657   1.444  -6.516
   50    HA   GLU   6           HA       GLU   6  -3.798   1.183  -7.150
   51    H    ALA   7           H        ALA   7  -3.843   1.652  -9.834
   52    HA   ALA   7           HA       ALA   7  -4.185   4.547  -9.891
   53   1HB   ALA   7          2HB       ALA   7  -2.332   4.513 -11.110
   54   2HB   ALA   7          1HB       ALA   7  -2.301   2.754 -10.984
   55   3HB   ALA   7          3HB       ALA   7  -3.126   3.527 -12.338
   56   1HB   ARG   8          2HB       ARG   8  -6.413   7.053 -12.556
   57   2HB   ARG   8          1HB       ARG   8  -7.082   6.656 -14.133
   58   1HG   ARG   8          2HG       ARG   8  -9.117   6.022 -12.373
   59   2HG   ARG   8          1HG       ARG   8  -8.418   7.500 -11.710
   60   1HD   ARG   8          2HD       ARG   8  -8.586   7.870 -14.494
   61   2HD   ARG   8          1HD       ARG   8 -10.121   7.165 -13.988
   62   1HH1  ARG   8          1HH1      ARG   8 -11.184   7.213 -12.255
   63   2HH1  ARG   8          2HH1      ARG   8 -12.208   8.254 -11.323
   64   1HH2  ARG   8          1HH2      ARG   8 -10.513  11.184 -12.200
   65   2HH2  ARG   8          2HH2      ARG   8 -11.826  10.512 -11.293
   66    H    ARG   8           H        ARG   8  -5.196   5.623 -11.688
   67    HA   ARG   8           HA       ARG   8  -7.719   4.527 -12.351
   68    HE   ARG   8           HE       ARG   8  -9.171   9.803 -13.425
   69   1HB   SER   9          2HB       SER   9  -3.557   3.611 -17.230
   70   2HB   SER   9          1HB       SER   9  -3.632   4.910 -16.041
   71    H    SER   9           H        SER   9  -4.643   4.181 -13.755
   72    HA   SER   9           HA       SER   9  -5.737   3.446 -16.369
   73    HG   SER   9           HG       SER   9  -1.741   3.391 -16.035
   74   1HA   GLY  10          2HA       GLY  10  -4.031  -0.524 -14.608
   75   2HA   GLY  10          1HA       GLY  10  -5.572  -0.473 -13.763
   76    H    GLY  10           H        GLY  10  -4.735   2.043 -13.434
   77   1HB   LYS  11          2HB       LYS  11  -4.332  -3.641 -10.693
   78   2HB   LYS  11          1HB       LYS  11  -2.661  -3.877 -11.190
   79   1HG   LYS  11          2HG       LYS  11  -1.866  -3.781  -9.012
   80   2HG   LYS  11          1HG       LYS  11  -3.312  -2.962  -8.418
   81   1HD   LYS  11          2HD       LYS  11  -3.630  -5.676  -9.585
   82   2HD   LYS  11          1HD       LYS  11  -2.885  -5.545  -7.990
   83   1HE   LYS  11          2HE       LYS  11  -5.567  -4.415  -8.785
   84   2HE   LYS  11          1HE       LYS  11  -5.306  -5.877  -7.836
   85    H    LYS  11           H        LYS  11  -4.267  -2.211 -12.573
   86    HA   LYS  11           HA       LYS  11  -3.673  -1.292 -10.005
   87   1HZ   LYS  11          1HZ       LYS  11  -4.037  -4.351  -6.259
   88   2HZ   LYS  11          3HZ       LYS  11  -4.797  -3.073  -7.067
   89   3HZ   LYS  11          2HZ       LYS  11  -5.725  -4.237  -6.265
   90   1HB   TYR  12          2HB       TYR  12   0.967  -2.131 -10.947
   91   2HB   TYR  12          1HB       TYR  12   2.171  -1.533  -9.808
   92    H    TYR  12           H        TYR  12  -1.731  -1.079  -8.861
   93    HA   TYR  12           HA       TYR  12   0.410  -0.379  -8.542
   94    HD1  TYR  12           HD1      TYR  12   1.401  -2.074  -7.227
   95    HD2  TYR  12           HD2      TYR  12   0.414  -4.345 -10.686
   96    HE1  TYR  12           HE1      TYR  12   1.069  -4.060  -5.819
   97    HE2  TYR  12           HE2      TYR  12   0.076  -6.339  -9.287
   98    HH   TYR  12           HH       TYR  12  -0.546  -6.462  -6.379
   99   1HB   LYS  13          2HB       LYS  13   0.411   2.187 -12.865
  100   2HB   LYS  13          1HB       LYS  13   1.888   2.280 -13.814
  101   1HG   LYS  13          2HG       LYS  13   1.616  -0.399 -12.979
  102   2HG   LYS  13          1HG       LYS  13   0.041   0.127 -13.575
  103   1HD   LYS  13          2HD       LYS  13   1.335   1.067 -15.582
  104   2HD   LYS  13          1HD       LYS  13   2.671   0.058 -15.021
  105   1HE   LYS  13          2HE       LYS  13   0.051  -1.275 -15.216
  106   2HE   LYS  13          1HE       LYS  13   0.767  -0.772 -16.746
  107    H    LYS  13           H        LYS  13   2.442  -0.011 -10.590
  108    HA   LYS  13           HA       LYS  13   3.229   1.573 -12.019
  109   1HZ   LYS  13          2HZ       LYS  13   2.488  -2.174 -14.846
  110   2HZ   LYS  13          1HZ       LYS  13   1.313  -3.088 -15.650
  111   3HZ   LYS  13          3HZ       LYS  13   2.472  -2.231 -16.537
  112   1HB   LEU  14          2HB       LEU  14   0.815   3.196  -7.377
  113   2HB   LEU  14          1HB       LEU  14   0.637   4.930  -7.250
  114    H    LEU  14           H        LEU  14   1.707   2.200  -9.318
  115    HA   LEU  14           HA       LEU  14   1.318   5.066  -9.682
  116    HG   LEU  14           HG       LEU  14  -0.860   3.528  -9.408
  117   1HD1  LEU  14          1HD1      LEU  14  -1.108   2.904  -6.599
  118   2HD1  LEU  14          3HD1      LEU  14  -2.596   3.605  -7.238
  119   3HD1  LEU  14          2HD1      LEU  14  -1.903   2.168  -7.993
  120   1HD2  LEU  14          3HD2      LEU  14  -0.829   6.100  -8.117
  121   2HD2  LEU  14          2HD2      LEU  14  -1.650   5.595  -9.594
  122   3HD2  LEU  14          1HD2      LEU  14  -2.434   5.376  -8.030
  123    H    THR  15           H        THR  15   2.512   6.629  -8.631
  124    HA   THR  15           HA       THR  15   5.132   5.747  -7.653
  125    HB   THR  15           HB       THR  15   5.887   8.031  -8.008
  126    HG1  THR  15           HG1      THR  15   4.199   9.407  -9.163
  127   1HG2  THR  15          1HG2      THR  15   5.250   6.258  -9.989
  128   2HG2  THR  15          3HG2      THR  15   4.433   7.721 -10.535
  129   3HG2  THR  15          2HG2      THR  15   6.168   7.746 -10.222
  130   1HB   TYR  16          2HB       TYR  16   6.805   7.990  -3.786
  131   2HB   TYR  16          1HB       TYR  16   6.498   9.618  -4.378
  132    H    TYR  16           H        TYR  16   5.702   8.181  -6.244
  133    HA   TYR  16           HA       TYR  16   4.390   7.542  -3.747
  134    HD1  TYR  16           HD1      TYR  16   5.364   7.440  -1.554
  135    HD2  TYR  16           HD2      TYR  16   6.629  11.303  -2.817
  136    HE1  TYR  16           HE1      TYR  16   5.211   8.239   0.762
  137    HE2  TYR  16           HE2      TYR  16   6.474  12.115  -0.501
  138    HH   TYR  16           HH       TYR  16   6.458  11.297   1.742
  139    H    ALA  17           H        ALA  17   4.887  10.520  -5.633
  140    HA   ALA  17           HA       ALA  17   3.039  12.074  -4.173
  141   1HB   ALA  17          2HB       ALA  17   4.864  12.974  -5.598
  142   2HB   ALA  17          1HB       ALA  17   3.934  12.491  -7.019
  143   3HB   ALA  17          3HB       ALA  17   3.291  13.708  -5.915
  144   1HB   GLU  18          2HB       GLU  18   1.744   8.345  -8.299
  145   2HB   GLU  18          1HB       GLU  18   0.089   8.519  -8.868
  146   1HG   GLU  18          2HG       GLU  18   0.618  10.346 -10.216
  147   2HG   GLU  18          1HG       GLU  18   2.139  10.639  -9.376
  148    H    GLU  18           H        GLU  18   2.707   9.893  -6.870
  149    HA   GLU  18           HA       GLU  18   0.089  10.774  -7.637
  150    H    ALA  19           H        ALA  19   1.344   7.952  -5.879
  151    HA   ALA  19           HA       ALA  19  -1.057   6.698  -5.302
  152   1HB   ALA  19          1HB       ALA  19   0.485   6.271  -3.049
  153   2HB   ALA  19          2HB       ALA  19   1.667   6.614  -4.313
  154   3HB   ALA  19          3HB       ALA  19   0.502   5.306  -4.527
  155   1HB   LYS  20          2HB       LYS  20   1.207  10.404  -1.640
  156   2HB   LYS  20          1HB       LYS  20   0.362  11.741  -2.401
  157   1HG   LYS  20          2HG       LYS  20  -1.042  11.410  -0.075
  158   2HG   LYS  20          1HG       LYS  20   0.611  11.039   0.415
  159   1HD   LYS  20          2HD       LYS  20   0.005  13.475  -1.220
  160   2HD   LYS  20          1HD       LYS  20  -0.204  13.488   0.532
  161   1HE   LYS  20          2HE       LYS  20   1.974  13.787   0.823
  162   2HE   LYS  20          1HE       LYS  20   2.323  12.321  -0.091
  163    H    LYS  20           H        LYS  20   0.628   9.226  -3.487
  164    HA   LYS  20           HA       LYS  20  -1.141   9.376  -1.330
  165   1HZ   LYS  20          3HZ       LYS  20   2.223  13.625  -2.132
  166   2HZ   LYS  20          2HZ       LYS  20   1.922  15.030  -1.240
  167   3HZ   LYS  20          1HZ       LYS  20   3.403  14.229  -1.080
  168    H    ALA  21           H        ALA  21  -0.957  11.276  -4.319
  169    HA   ALA  21           HA       ALA  21  -3.167  12.935  -3.797
  170   1HB   ALA  21          2HB       ALA  21  -3.142  13.422  -6.199
  171   2HB   ALA  21          3HB       ALA  21  -2.042  12.068  -6.460
  172   3HB   ALA  21          1HB       ALA  21  -1.518  13.460  -5.513
  173    H    VAL  22           H        VAL  22  -2.922   9.855  -5.551
  174    HA   VAL  22           HA       VAL  22  -5.506   9.625  -6.492
  175    HB   VAL  22           HB       VAL  22  -3.365   7.726  -5.765
  176   1HG1  VAL  22          2HG1      VAL  22  -6.233   6.835  -5.998
  177   2HG1  VAL  22          1HG1      VAL  22  -4.831   5.765  -6.026
  178   3HG1  VAL  22          3HG1      VAL  22  -5.197   6.700  -4.576
  179   1HG2  VAL  22          1HG2      VAL  22  -3.633   8.622  -8.021
  180   2HG2  VAL  22          3HG2      VAL  22  -3.831   6.870  -8.000
  181   3HG2  VAL  22          2HG2      VAL  22  -5.246   7.917  -8.115
  182   1HB   CYS  23          2HB       CYS  23  -3.974   8.858  -1.099
  183   2HB   CYS  23          1HB       CYS  23  -5.315   8.546  -0.007
  184    H    CYS  23           H        CYS  23  -4.196   8.996  -3.305
  185    HA   CYS  23           HA       CYS  23  -6.615   7.941  -2.194
  186   1HB   GLU  24          2HB       GLU  24  -4.219  12.865  -1.240
  187   2HB   GLU  24          1HB       GLU  24  -5.337  14.219  -1.318
  188   1HG   GLU  24          2HG       GLU  24  -5.641  13.357   1.260
  189   2HG   GLU  24          1HG       GLU  24  -3.929  13.068   0.961
  190    H    GLU  24           H        GLU  24  -4.798  10.883  -1.443
  191    HA   GLU  24           HA       GLU  24  -6.763  12.208  -0.015
  192   1HB   PHE  25          2HB       PHE  25  -6.865  12.490  -5.717
  193   2HB   PHE  25          1HB       PHE  25  -7.845  11.042  -5.517
  194    H    PHE  25           H        PHE  25  -6.851  11.399  -3.259
  195    HA   PHE  25           HA       PHE  25  -8.346  13.703  -4.163
  196    HD1  PHE  25           HD1      PHE  25  -7.994  14.562  -6.680
  197    HD2  PHE  25           HD2      PHE  25  -9.690  10.663  -6.878
  198    HE1  PHE  25           HE1      PHE  25  -9.441  15.290  -8.533
  199    HE2  PHE  25           HE2      PHE  25 -11.138  11.384  -8.733
  200    HZ   PHE  25           HZ       PHE  25 -11.015  13.700  -9.562
  201   1HB   GLU  26          2HB       GLU  26 -10.006   8.485  -2.570
  202   2HB   GLU  26          1HB       GLU  26 -11.751   8.346  -2.415
  203   1HG   GLU  26          2HG       GLU  26 -11.391   9.003  -5.069
  204   2HG   GLU  26          1HG       GLU  26 -10.050   7.913  -4.719
  205    H    GLU  26           H        GLU  26  -8.964  10.433  -3.068
  206    HA   GLU  26           HA       GLU  26 -11.799  10.633  -3.649
  207   1HA   GLY  27          1HA       GLY  27 -12.034  10.411   1.046
  208   2HA   GLY  27          2HA       GLY  27 -10.946  11.787   0.946
  209    H    GLY  27           H        GLY  27  -9.898   9.867  -0.748
  210   1HA   GLY  28          2HA       GLY  28  -7.992   8.918   2.810
  211   2HA   GLY  28          1HA       GLY  28  -8.047  10.378   3.790
  212    H    GLY  28           H        GLY  28  -8.629  11.330   1.338
  213   1HB   HIS  29          2HB       HIS  29  -2.595  10.527   4.002
  214   2HB   HIS  29          1HB       HIS  29  -3.240  11.804   2.978
  215    H    HIS  29           H        HIS  29  -5.725   8.957   3.605
  216    HA   HIS  29           HA       HIS  29  -4.045  10.233   1.604
  217    HD1  HIS  29           HD1      HIS  29  -4.071  13.425   4.669
  218    HD2  HIS  29           HD2      HIS  29  -5.363   9.553   5.437
  219    HE1  HIS  29           HE1      HIS  29  -5.678  13.621   6.585
  220    HE2  HIS  29           HE2      HIS  29  -6.386  11.258   7.091
  221   1HB   LEU  30          2HB       LEU  30   0.553   8.760   2.341
  222   2HB   LEU  30          1HB       LEU  30   0.933   7.055   2.242
  223    H    LEU  30           H        LEU  30  -1.630   9.504   2.131
  224    HA   LEU  30           HA       LEU  30  -1.585   6.702   1.857
  225    HG   LEU  30           HG       LEU  30  -0.271   8.759   0.061
  226   1HD1  LEU  30          1HD1      LEU  30   2.230   8.888   0.632
  227   2HD1  LEU  30          3HD1      LEU  30   2.323   7.257  -0.032
  228   3HD1  LEU  30          2HD1      LEU  30   1.773   8.591  -1.046
  229   1HD2  LEU  30          1HD2      LEU  30  -0.839   6.137   0.431
  230   2HD2  LEU  30          3HD2      LEU  30  -0.782   6.934  -1.141
  231   3HD2  LEU  30          2HD2      LEU  30   0.616   6.031  -0.558
  232    H    ALA  31           H        ALA  31  -2.042   5.305   3.432
  233    HA   ALA  31           HA       ALA  31  -2.061   5.862   6.167
  234   1HB   ALA  31          1HB       ALA  31  -2.219   3.404   4.530
  235   2HB   ALA  31          3HB       ALA  31  -1.823   3.212   6.237
  236   3HB   ALA  31          2HB       ALA  31  -3.317   4.021   5.765
  237    H    THR  32           H        THR  32  -0.762   3.829   7.458
  238    HA   THR  32           HA       THR  32   2.083   4.409   6.957
  239    HB   THR  32           HB       THR  32   2.525   4.832   9.159
  240    HG1  THR  32           HG1      THR  32   1.848   3.263  10.424
  241   1HG2  THR  32          2HG2      THR  32  -0.330   5.679   8.730
  242   2HG2  THR  32          1HG2      THR  32   0.597   6.152  10.154
  243   3HG2  THR  32          3HG2      THR  32   1.136   6.644   8.548
  244   1HB   TYR  33          2HB       TYR  33   5.307   1.381   7.748
  245   2HB   TYR  33          1HB       TYR  33   4.944   0.878   9.392
  246    H    TYR  33           H        TYR  33   3.557   2.821   8.016
  247    HA   TYR  33           HA       TYR  33   3.103   0.236   7.096
  248    HD1  TYR  33           HD1      TYR  33   5.657  -0.367   5.983
  249    HD2  TYR  33           HD2      TYR  33   5.326  -1.341  10.111
  250    HE1  TYR  33           HE1      TYR  33   6.688  -2.555   5.543
  251    HE2  TYR  33           HE2      TYR  33   6.356  -3.533   9.683
  252    HH   TYR  33           HH       TYR  33   6.513  -5.095   7.487
  253   1HB   LYS  34          2HB       LYS  34   2.608   1.764  12.431
  254   2HB   LYS  34          1HB       LYS  34   1.089   1.198  13.107
  255   1HG   LYS  34          2HG       LYS  34   2.462  -0.846  13.882
  256   2HG   LYS  34          1HG       LYS  34   3.860   0.190  13.590
  257   1HD   LYS  34          2HD       LYS  34   3.231   1.713  15.237
  258   2HD   LYS  34          1HD       LYS  34   1.556   1.156  15.243
  259   1HE   LYS  34          2HE       LYS  34   2.423  -1.043  16.135
  260   2HE   LYS  34          1HE       LYS  34   3.974  -0.236  16.368
  261    H    LYS  34           H        LYS  34   3.003   1.440  10.434
  262    HA   LYS  34           HA       LYS  34   2.208  -0.958  11.642
  263   1HZ   LYS  34          1HZ       LYS  34   1.682   1.151  17.468
  264   2HZ   LYS  34          3HZ       LYS  34   2.047  -0.326  18.211
  265   3HZ   LYS  34          2HZ       LYS  34   3.216   0.894  18.133
  266   1HB   GLN  35          2HB       GLN  35  -1.460   2.502   8.829
  267   2HB   GLN  35          1HB       GLN  35  -3.094   2.333   9.445
  268   1HG   GLN  35          2HG       GLN  35  -2.395   3.391  11.547
  269   2HG   GLN  35          1HG       GLN  35  -0.779   3.608  10.877
  270   1HE2  GLN  35          1HE2      GLN  35  -2.698   5.593  11.811
  271   2HE2  GLN  35          2HE2      GLN  35  -2.976   6.655  10.476
  272    H    GLN  35           H        GLN  35   0.277   1.793  10.487
  273    HA   GLN  35           HA       GLN  35  -2.227   0.895  11.271
  274   1HB   LEU  36          2HB       LEU  36   0.509  -0.847   6.777
  275   2HB   LEU  36          1HB       LEU  36   0.192  -2.548   6.504
  276    H    LEU  36           H        LEU  36  -0.276   0.045   8.479
  277    HA   LEU  36           HA       LEU  36  -2.304  -1.339   7.065
  278    HG   LEU  36           HG       LEU  36   0.111  -1.469   4.386
  279   1HD1  LEU  36          3HD1      LEU  36  -2.686  -1.973   5.395
  280   2HD1  LEU  36          2HD1      LEU  36  -2.234  -1.832   3.696
  281   3HD1  LEU  36          1HD1      LEU  36  -1.591  -3.152   4.672
  282   1HD2  LEU  36          1HD2      LEU  36  -0.855   0.729   5.867
  283   2HD2  LEU  36          3HD2      LEU  36  -0.429   0.667   4.156
  284   3HD2  LEU  36          2HD2      LEU  36  -2.084   0.330   4.665
  285   1HB   GLU  37          2HB       GLU  37   1.548  -4.093  10.415
  286   2HB   GLU  37          1HB       GLU  37   0.525  -3.479  11.701
  287   1HG   GLU  37          2HG       GLU  37  -0.171  -5.984  11.937
  288   2HG   GLU  37          1HG       GLU  37   1.370  -6.271  11.127
  289    H    GLU  37           H        GLU  37   0.084  -2.336   9.457
  290    HA   GLU  37           HA       GLU  37  -0.462  -5.108   9.354
  291    H    ALA  38           H        ALA  38  -1.524  -2.568  11.564
  292    HA   ALA  38           HA       ALA  38  -3.208  -4.030  13.200
  293   1HB   ALA  38          1HB       ALA  38  -2.558  -1.668  13.562
  294   2HB   ALA  38          2HB       ALA  38  -4.292  -1.941  13.742
  295   3HB   ALA  38          3HB       ALA  38  -3.663  -1.199  12.271
  296    H    ALA  39           H        ALA  39  -3.671  -2.902   9.953
  297    HA   ALA  39           HA       ALA  39  -6.514  -3.529   9.965
  298   1HB   ALA  39          2HB       ALA  39  -4.799  -2.648   7.651
  299   2HB   ALA  39          1HB       ALA  39  -6.560  -2.641   7.737
  300   3HB   ALA  39          3HB       ALA  39  -5.623  -1.548   8.756
  301   1HB   ARG  40          2HB       ARG  40  -2.459  -6.123   6.650
  302   2HB   ARG  40          1HB       ARG  40  -1.895  -6.533   8.262
  303   1HG   ARG  40          2HG       ARG  40  -3.010  -8.872   7.116
  304   2HG   ARG  40          1HG       ARG  40  -1.925  -8.144   5.930
  305   1HD   ARG  40          2HD       ARG  40  -0.277  -9.164   7.033
  306   2HD   ARG  40          1HD       ARG  40  -0.506  -7.934   8.274
  307   1HH1  ARG  40          2HH1      ARG  40   1.096  -9.295   8.904
  308   2HH1  ARG  40          1HH1      ARG  40   1.417 -10.435  10.169
  309   1HH2  ARG  40          1HH2      ARG  40  -1.884 -11.568  10.380
  310   2HH2  ARG  40          2HH2      ARG  40  -0.277 -11.727  11.007
  311    H    ARG  40           H        ARG  40  -3.488  -4.860   8.828
  312    HA   ARG  40           HA       ARG  40  -4.685  -6.867   7.162
  313    HE   ARG  40           HE       ARG  40  -2.296 -10.063   8.714
  314   1HB   LYS  41          2HB       LYS  41  -3.435  -8.725  13.364
  315   2HB   LYS  41          1HB       LYS  41  -2.751  -7.343  12.518
  316   1HG   LYS  41          2HG       LYS  41  -4.628  -6.053  12.822
  317   2HG   LYS  41          1HG       LYS  41  -5.683  -7.454  13.015
  318   1HD   LYS  41          2HD       LYS  41  -3.535  -6.966  15.026
  319   2HD   LYS  41          1HD       LYS  41  -5.007  -5.993  15.087
  320   1HE   LYS  41          2HE       LYS  41  -6.244  -8.248  14.968
  321   2HE   LYS  41          1HE       LYS  41  -4.692  -8.956  15.414
  322    H    LYS  41           H        LYS  41  -3.490  -6.715  10.452
  323    HA   LYS  41           HA       LYS  41  -3.394  -9.388  11.115
  324   1HZ   LYS  41          2HZ       LYS  41  -4.808  -7.159  17.284
  325   2HZ   LYS  41          1HZ       LYS  41  -6.473  -7.241  16.991
  326   3HZ   LYS  41          3HZ       LYS  41  -5.625  -8.630  17.455
  327   1HG1  ILE  42          2HG1      ILE  42  -8.614  -5.557   9.870
  328   2HG1  ILE  42          1HG1      ILE  42  -8.194  -7.065   9.060
  329    H    ILE  42           H        ILE  42  -6.139  -7.303  10.681
  330    HA   ILE  42           HA       ILE  42  -8.001  -9.170  11.862
  331    HB   ILE  42           HB       ILE  42  -9.685  -7.601  11.476
  332   1HG2  ILE  42          2HG2      ILE  42  -7.065  -6.242  11.999
  333   2HG2  ILE  42          1HG2      ILE  42  -8.589  -5.355  12.032
  334   3HG2  ILE  42          3HG2      ILE  42  -8.326  -6.698  13.145
  335   1HD1  ILE  42          3HD1      ILE  42 -10.922  -7.146   9.928
  336   2HD1  ILE  42          2HD1      ILE  42 -10.624  -5.695   8.971
  337   3HD1  ILE  42          1HD1      ILE  42 -10.256  -7.284   8.301
  338   1HA   GLY  43          1HA       GLY  43  -8.846  -9.814   7.325
  339   2HA   GLY  43          2HA       GLY  43  -7.387 -10.774   7.456
  340    H    GLY  43           H        GLY  43  -6.739  -8.455   8.690
  341   1HB   PHE  44          2HB       PHE  44  -7.031  -5.213   6.412
  342   2HB   PHE  44          1HB       PHE  44  -5.316  -5.565   6.270
  343    H    PHE  44           H        PHE  44  -7.312  -7.325   7.173
  344    HA   PHE  44           HA       PHE  44  -7.365  -6.859   4.490
  345    HD1  PHE  44           HD1      PHE  44  -6.966  -5.750   3.135
  346    HD2  PHE  44           HD2      PHE  44  -5.283  -3.011   5.925
  347    HE1  PHE  44           HE1      PHE  44  -6.790  -4.054   1.361
  348    HE2  PHE  44           HE2      PHE  44  -5.109  -1.311   4.154
  349    HZ   PHE  44           HZ       PHE  44  -5.865  -1.833   1.872
  350   1HB   HIS  45          2HB       HIS  45  -3.958 -10.866   3.776
  351   2HB   HIS  45          1HB       HIS  45  -5.646 -10.789   3.290
  352    H    HIS  45           H        HIS  45  -6.517  -8.505   3.249
  353    HA   HIS  45           HA       HIS  45  -3.579  -8.704   3.244
  354    HD1  HIS  45           HD1      HIS  45  -6.236 -12.027   1.227
  355    HD2  HIS  45           HD2      HIS  45  -2.170 -11.203   1.440
  356    HE1  HIS  45           HE1      HIS  45  -5.204 -13.208  -0.738
  357    HE2  HIS  45           HE2      HIS  45  -2.759 -12.618  -0.642
  358    H    VAL  46           H        VAL  46  -2.713  -7.873   1.473
  359    HA   VAL  46           HA       VAL  46  -3.955  -8.346  -1.120
  360    HB   VAL  46           HB       VAL  46  -3.244  -5.553  -0.204
  361   1HG1  VAL  46          2HG1      VAL  46  -2.874  -6.257  -2.654
  362   2HG1  VAL  46          1HG1      VAL  46  -4.634  -6.275  -2.759
  363   3HG1  VAL  46          3HG1      VAL  46  -3.792  -4.786  -2.334
  364   1HG2  VAL  46          2HG2      VAL  46  -5.437  -6.723   0.610
  365   2HG2  VAL  46          1HG2      VAL  46  -5.483  -5.063   0.016
  366   3HG2  VAL  46          3HG2      VAL  46  -5.986  -6.390  -1.031
  367   1HB   CYS  47          2HB       CYS  47  -0.313  -9.488  -4.642
  368   2HB   CYS  47          1HB       CYS  47   0.591 -10.381  -3.425
  369    H    CYS  47           H        CYS  47  -2.457  -8.862  -2.585
  370    HA   CYS  47           HA       CYS  47   0.328  -8.768  -1.870
  371    H    ALA  48           H        ALA  48  -1.523  -6.358  -2.782
  372    HA   ALA  48           HA       ALA  48   0.302  -5.254  -4.797
  373   1HB   ALA  48          3HB       ALA  48  -2.253  -5.267  -5.078
  374   2HB   ALA  48          1HB       ALA  48  -1.382  -3.776  -5.437
  375   3HB   ALA  48          2HB       ALA  48  -2.245  -3.947  -3.908
  376    H    ALA  49           H        ALA  49   2.039  -4.516  -3.670
  377    HA   ALA  49           HA       ALA  49   2.121  -3.372  -1.168
  378   1HB   ALA  49          3HB       ALA  49   4.264  -3.546  -1.738
  379   2HB   ALA  49          2HB       ALA  49   3.879  -3.523  -3.459
  380   3HB   ALA  49          1HB       ALA  49   4.077  -2.006  -2.579
  381   1HA   GLY  50          2HA       GLY  50  -0.314   0.230  -0.580
  382   2HA   GLY  50          1HA       GLY  50   0.324   0.505  -2.193
  383    H    GLY  50           H        GLY  50   1.154  -1.632  -0.359
  384   1HB   TRP  51          2HB       TRP  51   1.776   4.696  -2.439
  385   2HB   TRP  51          1HB       TRP  51   3.222   5.353  -1.680
  386    H    TRP  51           H        TRP  51   1.351   2.375  -2.288
  387    HA   TRP  51           HA       TRP  51   3.657   2.970  -0.837
  388    HD1  TRP  51           HD1      TRP  51   2.079   3.261  -4.627
  389    HE1  TRP  51           HE1      TRP  51   4.102   2.787  -6.161
  390    HE3  TRP  51           HE3      TRP  51   5.824   5.021  -1.614
  391    HZ2  TRP  51           HZ2      TRP  51   6.901   3.123  -6.099
  392    HZ3  TRP  51           HZ3      TRP  51   8.144   4.907  -2.428
  393    HH2  TRP  51           HH2      TRP  51   8.669   3.979  -4.624
  394   1HB   MET  52          2HB       MET  52   2.694   4.515   4.482
  395   2HB   MET  52          1HB       MET  52   1.924   3.384   3.379
  396   1HG   MET  52          2HG       MET  52   4.186   2.711   2.595
  397   2HG   MET  52          1HG       MET  52   4.872   3.735   3.854
  398    H    MET  52           H        MET  52   4.091   4.339   0.888
  399    HA   MET  52           HA       MET  52   1.850   5.520   2.332
  400   1HE   MET  52          3HE       MET  52   4.747   0.652   2.859
  401   2HE   MET  52          2HE       MET  52   4.616  -0.422   4.252
  402   3HE   MET  52          1HE       MET  52   3.175   0.007   3.330
  403    H    ALA  53           H        ALA  53   3.089   6.289   4.621
  404    HA   ALA  53           HA       ALA  53   4.440   8.593   3.935
  405   1HB   ALA  53          1HB       ALA  53   5.391   8.225   6.415
  406   2HB   ALA  53          2HB       ALA  53   4.072   7.055   6.428
  407   3HB   ALA  53          3HB       ALA  53   3.743   8.752   6.079
  408   1HB   LYS  54          2HB       LYS  54   8.339   7.209   5.673
  409   2HB   LYS  54          1HB       LYS  54   9.111   6.234   4.432
  410   1HG   LYS  54          2HG       LYS  54  11.117   7.375   4.595
  411   2HG   LYS  54          1HG       LYS  54  10.366   8.791   5.331
  412   1HD   LYS  54          2HD       LYS  54  10.600   7.970   7.398
  413   2HD   LYS  54          1HD       LYS  54  10.018   6.375   6.919
  414   1HE   LYS  54          2HE       LYS  54  12.773   7.323   6.207
  415   2HE   LYS  54          1HE       LYS  54  12.430   6.571   7.766
  416    H    LYS  54           H        LYS  54   6.615   9.245   4.034
  417    HA   LYS  54           HA       LYS  54   8.866   9.085   3.755
  418   1HZ   LYS  54          1HZ       LYS  54  11.371   5.068   5.575
  419   2HZ   LYS  54          3HZ       LYS  54  13.048   5.266   5.454
  420   3HZ   LYS  54          2HZ       LYS  54  12.377   4.567   6.839
  421   1HA   GLY  55          1HA       GLY  55   8.384   6.881  -0.107
  422   2HA   GLY  55          2HA       GLY  55   6.654   6.562  -0.070
  423    H    GLY  55           H        GLY  55   6.633   7.110   2.205
  424   1HB   ARG  56          2HB       ARG  56   8.222   3.321   3.894
  425   2HB   ARG  56          1HB       ARG  56   6.621   2.615   3.724
  426   1HG   ARG  56          2HG       ARG  56   7.453   0.459   3.527
  427   2HG   ARG  56          1HG       ARG  56   9.065   1.018   3.078
  428   1HD   ARG  56          2HD       ARG  56   7.878   1.586   5.777
  429   2HD   ARG  56          1HD       ARG  56   8.749   0.091   5.439
  430   1HH1  ARG  56          1HH1      ARG  56   9.982  -0.474   6.420
  431   2HH1  ARG  56          2HH1      ARG  56  11.593  -0.357   7.045
  432   1HH2  ARG  56          1HH2      ARG  56  12.127   2.891   5.863
  433   2HH2  ARG  56          2HH2      ARG  56  12.813   1.556   6.729
  434    H    ARG  56           H        ARG  56   7.010   4.852   2.355
  435    HA   ARG  56           HA       ARG  56   8.626   2.632   1.472
  436    HE   ARG  56           HE       ARG  56  10.005   2.725   5.044
  437    H    VAL  57           H        VAL  57   7.897   0.622   0.775
  438    HA   VAL  57           HA       VAL  57   5.039   0.448   0.093
  439    HB   VAL  57           HB       VAL  57   5.398   0.156  -2.093
  440   1HG1  VAL  57          1HG1      VAL  57   8.009   1.280  -1.173
  441   2HG1  VAL  57          3HG1      VAL  57   7.766   0.897  -2.877
  442   3HG1  VAL  57          2HG1      VAL  57   6.707   2.056  -2.075
  443   1HG2  VAL  57          1HG2      VAL  57   7.718  -1.593  -1.307
  444   2HG2  VAL  57          3HG2      VAL  57   6.135  -2.090  -1.907
  445   3HG2  VAL  57          2HG2      VAL  57   7.273  -1.278  -2.984
  446   1HA   GLY  58          2HA       GLY  58   5.072  -3.404   2.045
  447   2HA   GLY  58          1HA       GLY  58   5.544  -3.999   0.462
  448    H    GLY  58           H        GLY  58   4.112  -1.581   0.164
  449   1HB   TYR  59          2HB       TYR  59   1.354  -7.498  -0.644
  450   2HB   TYR  59          1HB       TYR  59   1.615  -5.933  -1.410
  451    H    TYR  59           H        TYR  59   4.173  -5.822   1.012
  452    HA   TYR  59           HA       TYR  59   1.305  -5.239   0.753
  453    HD1  TYR  59           HD1      TYR  59   4.134  -5.156  -1.539
  454    HD2  TYR  59           HD2      TYR  59   2.884  -9.197  -1.022
  455    HE1  TYR  59           HE1      TYR  59   6.304  -5.933  -2.391
  456    HE2  TYR  59           HE2      TYR  59   5.053  -9.978  -1.876
  457    HH   TYR  59           HH       TYR  59   7.109  -8.199  -3.588
  458   1HB   PRO  60          2HB       PRO  60  -0.937  -7.378   5.226
  459   2HB   PRO  60          1HB       PRO  60   0.449  -6.353   5.599
  460   1HG   PRO  60          2HG       PRO  60  -1.652  -6.017   3.507
  461   2HG   PRO  60          1HG       PRO  60  -0.887  -4.795   4.536
  462   1HD   PRO  60          2HD       PRO  60  -0.195  -5.175   1.943
  463   2HD   PRO  60          1HD       PRO  60   0.958  -4.623   3.173
  464    HA   PRO  60           HA       PRO  60   1.613  -7.912   4.395
  465   1HG1  ILE  61          2HG1      ILE  61   2.448 -10.267   1.387
  466   2HG1  ILE  61          1HG1      ILE  61   2.676 -11.586   0.243
  467    H    ILE  61           H        ILE  61   1.675  -9.760   2.961
  468    HA   ILE  61           HA       ILE  61  -0.723 -10.823   1.833
  469    HB   ILE  61           HB       ILE  61   1.763 -12.431   2.351
  470   1HG2  ILE  61          3HG2      ILE  61  -0.668 -12.939   1.058
  471   2HG2  ILE  61          2HG2      ILE  61   0.525 -12.728  -0.225
  472   3HG2  ILE  61          1HG2      ILE  61   0.789 -13.934   1.036
  473   1HD1  ILE  61          1HD1      ILE  61   0.118 -10.642  -0.272
  474   2HD1  ILE  61          3HD1      ILE  61   1.094  -9.199   0.000
  475   3HD1  ILE  61          2HD1      ILE  61   1.572 -10.367  -1.231
  476    H    VAL  62           H        VAL  62  -1.817 -12.723   2.423
  477    HA   VAL  62           HA       VAL  62  -1.313 -13.890   5.037
  478    HB   VAL  62           HB       VAL  62  -3.724 -12.228   4.403
  479   1HG1  VAL  62          3HG1      VAL  62  -4.546 -14.509   4.913
  480   2HG1  VAL  62          2HG1      VAL  62  -3.701 -14.432   6.459
  481   3HG1  VAL  62          1HG1      VAL  62  -5.021 -13.313   6.119
  482   1HG2  VAL  62          3HG2      VAL  62  -1.557 -12.217   6.317
  483   2HG2  VAL  62          2HG2      VAL  62  -2.697 -10.938   5.897
  484   3HG2  VAL  62          1HG2      VAL  62  -3.129 -12.142   7.113
  485   1HB   LYS  63          2HB       LYS  63  -5.570 -14.826   2.119
  486   2HB   LYS  63          1HB       LYS  63  -5.238 -15.033   0.406
  487   1HG   LYS  63          2HG       LYS  63  -5.531 -17.556   1.841
  488   2HG   LYS  63          1HG       LYS  63  -6.971 -16.538   1.889
  489   1HD   LYS  63          2HD       LYS  63  -6.850 -16.326  -0.576
  490   2HD   LYS  63          1HD       LYS  63  -5.487 -17.445  -0.575
  491   1HE   LYS  63          2HE       LYS  63  -6.974 -19.120   0.540
  492   2HE   LYS  63          1HE       LYS  63  -8.318 -18.009   0.284
  493    H    LYS  63           H        LYS  63  -3.094 -13.796   2.024
  494    HA   LYS  63           HA       LYS  63  -3.649 -16.676   2.309
  495   1HZ   LYS  63          3HZ       LYS  63  -6.956 -18.351  -2.144
  496   2HZ   LYS  63          2HZ       LYS  63  -7.273 -19.882  -1.498
  497   3HZ   LYS  63          1HZ       LYS  63  -8.542 -18.794  -1.756
  498   1HB   PRO  64          2HB       PRO  64  -0.467 -19.191  -0.422
  499   2HB   PRO  64          1HB       PRO  64   0.900 -18.095  -0.628
  500   1HG   PRO  64          2HG       PRO  64   0.172 -18.956   1.792
  501   2HG   PRO  64          1HG       PRO  64   0.764 -17.306   1.540
  502   1HD   PRO  64          2HD       PRO  64  -2.013 -18.274   2.007
  503   2HD   PRO  64          1HD       PRO  64  -1.247 -16.750   2.503
  504    HA   PRO  64           HA       PRO  64  -0.447 -16.274  -1.009
  505   1HA   GLY  65          2HA       GLY  65  -2.487 -17.442  -4.620
  506   2HA   GLY  65          1HA       GLY  65  -2.521 -19.059  -3.935
  507    H    GLY  65           H        GLY  65  -0.256 -17.488  -3.086
  508   1HB   PRO  66          2HB       PRO  66  -0.676 -18.470  -9.750
  509   2HB   PRO  66          1HB       PRO  66  -1.769 -19.647  -9.012
  510   1HG   PRO  66          2HG       PRO  66  -1.783 -16.660  -8.817
  511   2HG   PRO  66          1HG       PRO  66  -3.147 -17.776  -9.009
  512   1HD   PRO  66          2HD       PRO  66  -2.376 -16.659  -6.610
  513   2HD   PRO  66          1HD       PRO  66  -3.281 -18.178  -6.762
  514    HA   PRO  66           HA       PRO  66   0.011 -19.832  -7.546
  515   1HB   ASN  67          2HB       ASN  67   1.789 -16.114  -9.277
  516   2HB   ASN  67          1HB       ASN  67   1.717 -14.432  -8.763
  517   1HD2  ASN  67          1HD2      ASN  67   3.849 -13.769  -7.585
  518   2HD2  ASN  67          2HD2      ASN  67   5.293 -14.161  -8.448
  519    H    ASN  67           H        ASN  67   0.138 -16.612  -6.492
  520    HA   ASN  67           HA       ASN  67   2.870 -16.326  -6.805
  521   1HB   CYS  68          2HB       CYS  68  -0.996 -14.669  -4.126
  522   2HB   CYS  68          1HB       CYS  68  -0.713 -13.542  -2.803
  523    H    CYS  68           H        CYS  68   1.139 -15.813  -4.773
  524    HA   CYS  68           HA       CYS  68   1.300 -12.881  -4.540
  525   1HA   GLY  69          2HA       GLY  69   1.358 -16.084  -0.265
  526   2HA   GLY  69          1HA       GLY  69   2.096 -14.488  -0.256
  527    H    GLY  69           H        GLY  69   0.653 -15.696  -2.438
  528   1HB   PHE  70          2HB       PHE  70   6.251 -14.005  -0.144
  529   2HB   PHE  70          1HB       PHE  70   6.966 -15.069   1.061
  530    H    PHE  70           H        PHE  70   4.142 -14.808   0.361
  531    HA   PHE  70           HA       PHE  70   5.866 -16.373  -1.365
  532    HD1  PHE  70           HD1      PHE  70   7.118 -14.110  -2.510
  533    HD2  PHE  70           HD2      PHE  70   9.108 -15.956   0.767
  534    HE1  PHE  70           HE1      PHE  70   9.195 -14.199  -3.827
  535    HE2  PHE  70           HE2      PHE  70  11.189 -16.048  -0.543
  536    HZ   PHE  70           HZ       PHE  70  11.233 -15.169  -2.844
  537   1HA   GLY  71          1HA       GLY  71   5.815 -19.300   2.007
  538   2HA   GLY  71          2HA       GLY  71   4.092 -19.576   1.765
  539    H    GLY  71           H        GLY  71   3.920 -17.263   1.010
  540   1HB   LYS  72          2HB       LYS  72   6.603 -15.687   4.955
  541   2HB   LYS  72          1HB       LYS  72   5.820 -15.392   6.502
  542   1HG   LYS  72          2HG       LYS  72   6.332 -17.942   6.877
  543   2HG   LYS  72          1HG       LYS  72   7.573 -17.639   5.658
  544   1HD   LYS  72          2HD       LYS  72   8.683 -16.088   6.997
  545   2HD   LYS  72          1HD       LYS  72   7.276 -15.831   8.029
  546   1HE   LYS  72          2HE       LYS  72   8.989 -17.125   9.186
  547   2HE   LYS  72          1HE       LYS  72   7.525 -18.080   8.944
  548    H    LYS  72           H        LYS  72   5.382 -16.651   3.195
  549    HA   LYS  72           HA       LYS  72   4.447 -17.553   5.835
  550   1HZ   LYS  72          2HZ       LYS  72   9.732 -18.234   6.998
  551   2HZ   LYS  72          1HZ       LYS  72   9.804 -19.128   8.433
  552   3HZ   LYS  72          3HZ       LYS  72   8.533 -19.376   7.343
  553    H    THR  73           H        THR  73   3.534 -15.800   7.235
  554    HA   THR  73           HA       THR  73   1.762 -14.084   5.628
  555    HB   THR  73           HB       THR  73   0.368 -14.066   7.802
  556    HG1  THR  73           HG1      THR  73   1.476 -16.585   8.311
  557   1HG2  THR  73          1HG2      THR  73  -0.287 -15.213   5.717
  558   2HG2  THR  73          3HG2      THR  73   0.605 -16.641   6.242
  559   3HG2  THR  73          2HG2      THR  73  -0.800 -16.095   7.156
  560   1HA   GLY  74          2HA       GLY  74   3.811 -10.870   7.784
  561   2HA   GLY  74          1HA       GLY  74   2.151 -10.295   7.880
  562    H    GLY  74           H        GLY  74   1.950 -11.948   5.813
  563   1HG1  ILE  75          1HG1      ILE  75   2.032  -5.128   5.494
  564   2HG1  ILE  75          2HG1      ILE  75   1.777  -6.042   6.978
  565    H    ILE  75           H        ILE  75   3.364  -8.215   7.508
  566    HA   ILE  75           HA       ILE  75   2.880  -7.291   4.903
  567    HB   ILE  75           HB       ILE  75   4.240  -6.146   7.296
  568   1HG2  ILE  75          1HG2      ILE  75   4.441  -5.027   4.509
  569   2HG2  ILE  75          3HG2      ILE  75   4.692  -4.063   5.964
  570   3HG2  ILE  75          2HG2      ILE  75   5.757  -5.424   5.614
  571   1HD1  ILE  75          1HD1      ILE  75   3.077  -4.172   8.132
  572   2HD1  ILE  75          3HD1      ILE  75   2.811  -3.255   6.649
  573   3HD1  ILE  75          2HD1      ILE  75   1.434  -3.829   7.591
  574   1HG1  ILE  76          1HG1      ILE  76   4.927 -10.006   3.052
  575   2HG1  ILE  76          2HG1      ILE  76   3.940  -9.989   1.595
  576    H    ILE  76           H        ILE  76   4.027  -7.433   3.101
  577    HA   ILE  76           HA       ILE  76   6.804  -8.357   3.266
  578    HB   ILE  76           HB       ILE  76   5.053  -8.211   0.815
  579   1HG2  ILE  76          2HG2      ILE  76   7.563  -8.273   0.559
  580   2HG2  ILE  76          1HG2      ILE  76   7.510  -9.883   1.278
  581   3HG2  ILE  76          3HG2      ILE  76   6.674  -9.568  -0.244
  582   1HD1  ILE  76          2HD1      ILE  76   6.627 -11.316   1.792
  583   2HD1  ILE  76          1HD1      ILE  76   5.085 -12.139   2.023
  584   3HD1  ILE  76          3HD1      ILE  76   5.476 -11.421   0.461
  585   1HB   ASP  77          2HB       ASP  77   6.755  -3.081   2.938
  586   2HB   ASP  77          1HB       ASP  77   7.285  -3.944   4.376
  587    H    ASP  77           H        ASP  77   7.736  -6.342   3.793
  588    HA   ASP  77           HA       ASP  77   7.868  -4.477   1.521
  589   1HB   TYR  78          2HB       TYR  78  11.448  -4.948  -0.512
  590   2HB   TYR  78          1HB       TYR  78  12.938  -4.058  -0.212
  591    H    TYR  78           H        TYR  78   9.852  -4.174   0.763
  592    HA   TYR  78           HA       TYR  78  12.115  -5.240   2.246
  593    HD1  TYR  78           HD1      TYR  78  14.918  -5.252   0.717
  594    HD2  TYR  78           HD2      TYR  78  11.414  -7.327  -0.515
  595    HE1  TYR  78           HE1      TYR  78  16.194  -7.354   0.645
  596    HE2  TYR  78           HE2      TYR  78  12.680  -9.434  -0.589
  597    HH   TYR  78           HH       TYR  78  15.657  -9.842   0.828
  598   1HA   GLY  79          2HA       GLY  79  12.909  -1.060   3.449
  599   2HA   GLY  79          1HA       GLY  79  11.234  -0.533   3.595
  600    H    GLY  79           H        GLY  79  10.575  -2.503   2.562
  601   1HG1  ILE  80          1HG1      ILE  80  11.641   3.202   3.278
  602   2HG1  ILE  80          2HG1      ILE  80  12.393   4.793   3.333
  603    H    ILE  80           H        ILE  80  12.267   1.561   2.977
  604    HA   ILE  80           HA       ILE  80  11.548   2.412   0.490
  605    HB   ILE  80           HB       ILE  80  13.886   3.520   2.045
  606   1HG2  ILE  80          1HG2      ILE  80  12.060   4.765  -0.003
  607   2HG2  ILE  80          3HG2      ILE  80  13.244   5.648   0.960
  608   3HG2  ILE  80          2HG2      ILE  80  13.779   4.419  -0.186
  609   1HD1  ILE  80          1HD1      ILE  80  10.893   5.538   1.537
  610   2HD1  ILE  80          3HD1      ILE  80  10.116   3.955   1.555
  611   3HD1  ILE  80          2HD1      ILE  80  10.021   5.000   2.973
  612   1HB   ARG  81          2HB       ARG  81  13.009   1.681  -4.153
  613   2HB   ARG  81          1HB       ARG  81  14.063   0.277  -4.052
  614   1HG   ARG  81          2HG       ARG  81  11.663   0.593  -2.280
  615   2HG   ARG  81          1HG       ARG  81  11.561  -0.126  -3.889
  616   1HD   ARG  81          2HD       ARG  81  13.290  -1.089  -1.613
  617   2HD   ARG  81          1HD       ARG  81  11.802  -1.847  -2.181
  618   1HH1  ARG  81          2HH1      ARG  81  14.957  -1.234  -1.631
  619   2HH1  ARG  81          1HH1      ARG  81  16.409  -1.937  -2.260
  620   1HH2  ARG  81          2HH2      ARG  81  14.857  -3.354  -5.055
  621   2HH2  ARG  81          1HH2      ARG  81  16.352  -3.143  -4.207
  622    H    ARG  81           H        ARG  81  12.346   2.323  -1.529
  623    HA   ARG  81           HA       ARG  81  14.838   0.846  -1.931
  624    HE   ARG  81           HE       ARG  81  12.950  -2.422  -4.217
  625   1HB   LEU  82          2HB       LEU  82  17.484   3.677  -2.172
  626   2HB   LEU  82          1HB       LEU  82  17.533   4.681  -3.607
  627    H    LEU  82           H        LEU  82  14.690   3.714  -1.118
  628    HA   LEU  82           HA       LEU  82  15.694   5.703  -1.587
  629    HG   LEU  82           HG       LEU  82  19.279   5.301  -2.009
  630   1HD1  LEU  82          3HD1      LEU  82  18.075   6.982  -3.497
  631   2HD1  LEU  82          2HD1      LEU  82  17.234   7.499  -2.034
  632   3HD1  LEU  82          1HD1      LEU  82  18.991   7.624  -2.133
  633   1HD2  LEU  82          1HD2      LEU  82  17.483   4.740  -0.067
  634   2HD2  LEU  82          3HD2      LEU  82  18.948   5.692   0.179
  635   3HD2  LEU  82          2HD2      LEU  82  17.404   6.502  -0.091
  636   1HB   ASN  83          2HB       ASN  83  14.978   4.856  -6.512
  637   2HB   ASN  83          1HB       ASN  83  13.562   3.816  -6.387
  638   1HD2  ASN  83          2HD2      ASN  83  12.285   3.761  -8.081
  639   2HD2  ASN  83          1HD2      ASN  83  12.163   4.974  -9.305
  640    H    ASN  83           H        ASN  83  13.602   4.478  -3.503
  641    HA   ASN  83           HA       ASN  83  13.696   6.670  -5.393
  642   1HB   ARG  84          2HB       ARG  84   8.350   7.839  -3.606
  643   2HB   ARG  84          1HB       ARG  84   9.939   7.835  -2.855
  644   1HG   ARG  84          2HG       ARG  84  10.676   9.195  -4.913
  645   2HG   ARG  84          1HG       ARG  84   8.950   9.465  -5.159
  646   1HD   ARG  84          2HD       ARG  84   9.091  11.153  -3.722
  647   2HD   ARG  84          1HD       ARG  84   9.375   9.964  -2.452
  648   1HH1  ARG  84          2HH1      ARG  84  10.033  10.384  -0.968
  649   2HH1  ARG  84          1HH1      ARG  84  11.375  10.891   0.002
  650   1HH2  ARG  84          1HH2      ARG  84  13.375  11.795  -2.718
  651   2HH2  ARG  84          2HH2      ARG  84  13.274  11.692  -0.992
  652    H    ARG  84           H        ARG  84  11.790   7.478  -4.661
  653    HA   ARG  84           HA       ARG  84   9.509   5.792  -4.181
  654    HE   ARG  84           HE       ARG  84  11.600  11.126  -3.988
  655   1HB   SER  85          2HB       SER  85  11.242   6.693  -9.075
  656   2HB   SER  85          1HB       SER  85  10.045   6.602 -10.368
  657    H    SER  85           H        SER  85  10.664   5.841  -6.894
  658    HA   SER  85           HA       SER  85   8.332   6.854  -8.383
  659    HG   SER  85           HG       SER  85   9.903   8.645  -8.438
  660   1HB   GLU  86          2HB       GLU  86   8.114   1.724  -6.338
  661   2HB   GLU  86          1HB       GLU  86   8.881   0.614  -7.466
  662   1HG   GLU  86          2HG       GLU  86  10.585   2.872  -6.926
  663   2HG   GLU  86          1HG       GLU  86  10.100   2.066  -5.434
  664    H    GLU  86           H        GLU  86   8.895   4.196  -7.002
  665    HA   GLU  86           HA       GLU  86   9.077   2.285  -9.139
  666   1HB   ARG  87          2HB       ARG  87   4.237   0.153 -11.233
  667   2HB   ARG  87          1HB       ARG  87   5.848   0.753 -11.597
  668   1HG   ARG  87          2HG       ARG  87   6.684  -1.284 -11.446
  669   2HG   ARG  87          1HG       ARG  87   6.064  -1.454  -9.803
  670   1HD   ARG  87          2HD       ARG  87   3.926  -2.214 -10.657
  671   2HD   ARG  87          1HD       ARG  87   4.475  -1.965 -12.315
  672   1HH1  ARG  87          1HH1      ARG  87   3.278  -3.480 -12.777
  673   2HH1  ARG  87          2HH1      ARG  87   3.296  -5.140 -13.273
  674   1HH2  ARG  87          2HH2      ARG  87   6.172  -5.950 -11.456
  675   2HH2  ARG  87          1HH2      ARG  87   4.942  -6.544 -12.521
  676    H    ARG  87           H        ARG  87   7.355   0.553  -9.323
  677    HA   ARG  87           HA       ARG  87   4.767   1.873  -9.646
  678    HE   ARG  87           HE       ARG  87   6.137  -3.763 -10.810
  679   1HB   TRP  88          2HB       TRP  88   3.917   1.162  -5.340
  680   2HB   TRP  88          1HB       TRP  88   2.909  -0.102  -4.646
  681    H    TRP  88           H        TRP  88   3.333   1.595  -8.084
  682    HA   TRP  88           HA       TRP  88   2.792  -1.050  -7.044
  683    HD1  TRP  88           HD1      TRP  88   6.357   0.665  -4.867
  684    HE1  TRP  88           HE1      TRP  88   7.852  -1.429  -4.812
  685    HE3  TRP  88           HE3      TRP  88   2.828  -2.870  -5.934
  686    HZ2  TRP  88           HZ2      TRP  88   7.565  -4.218  -5.169
  687    HZ3  TRP  88           HZ3      TRP  88   3.519  -5.228  -6.061
  688    HH2  TRP  88           HH2      TRP  88   5.840  -5.886  -5.687
  689   1HB   ASP  89          2HB       ASP  89  -0.863  -1.233  -4.328
  690   2HB   ASP  89          1HB       ASP  89  -2.222  -0.124  -4.158
  691    H    ASP  89           H        ASP  89   1.171  -0.443  -4.949
  692    HA   ASP  89           HA       ASP  89  -1.004   1.010  -6.271
  693    H    ALA  90           H        ALA  90  -2.278   1.090  -3.482
  694    HA   ALA  90           HA       ALA  90  -0.710   2.917  -1.955
  695   1HB   ALA  90          1HB       ALA  90  -1.147   4.639  -3.397
  696   2HB   ALA  90          2HB       ALA  90  -2.525   4.778  -2.301
  697   3HB   ALA  90          3HB       ALA  90  -2.721   3.993  -3.868
  698   1HB   TYR  91          2HB       TYR  91  -1.293   1.447   2.094
  699   2HB   TYR  91          1HB       TYR  91  -2.782   1.138   2.979
  700    H    TYR  91           H        TYR  91  -1.251   2.361   0.037
  701    HA   TYR  91           HA       TYR  91  -3.877   1.268   0.595
  702    HD1  TYR  91           HD1      TYR  91  -4.308  -0.705   1.578
  703    HD2  TYR  91           HD2      TYR  91  -0.064  -0.455   1.692
  704    HE1  TYR  91           HE1      TYR  91  -4.161  -3.093   1.002
  705    HE2  TYR  91           HE2      TYR  91   0.098  -2.842   1.119
  706    HH   TYR  91           HH       TYR  91  -1.064  -4.776   0.944
  707   1HB   CYS  92          2HB       CYS  92  -7.227   4.265   0.665
  708   2HB   CYS  92          1HB       CYS  92  -7.156   5.959   1.125
  709    H    CYS  92           H        CYS  92  -4.965   3.318   0.134
  710    HA   CYS  92           HA       CYS  92  -4.685   5.710   1.412
  711   1HB   TYR  93          2HB       TYR  93  -4.567   4.928   5.633
  712   2HB   TYR  93          1HB       TYR  93  -4.633   6.676   5.840
  713    H    TYR  93           H        TYR  93  -5.992   6.677   3.151
  714    HA   TYR  93           HA       TYR  93  -7.030   4.940   5.203
  715    HD1  TYR  93           HD1      TYR  93  -6.642   7.385   7.562
  716    HD2  TYR  93           HD2      TYR  93  -4.497   3.710   7.582
  717    HE1  TYR  93           HE1      TYR  93  -7.195   7.085   9.937
  718    HE2  TYR  93           HE2      TYR  93  -5.046   3.398   9.958
  719    HH   TYR  93           HH       TYR  93  -5.651   4.985  11.933
  720   1HB   ASN  94          2HB       ASN  94  -9.166   8.887   4.478
  721   2HB   ASN  94          1HB       ASN  94 -10.484   7.740   4.696
  722   1HD2  ASN  94          1HD2      ASN  94  -9.515  10.991   4.845
  723   2HD2  ASN  94          2HD2      ASN  94 -11.003  11.650   5.428
  724    H    ASN  94           H        ASN  94  -8.603   5.950   6.309
  725    HA   ASN  94           HA       ASN  94  -8.608   8.742   6.846
  726   1HB   PRO  95          2HB       PRO  95 -11.770   9.246  11.230
  727   2HB   PRO  95          1HB       PRO  95 -10.284   8.353  11.575
  728   1HG   PRO  95          2HG       PRO  95 -10.719  10.689   9.767
  729   2HG   PRO  95          1HG       PRO  95  -9.348  10.334  10.831
  730   1HD   PRO  95          2HD       PRO  95  -9.213   9.949   8.178
  731   2HD   PRO  95          1HD       PRO  95  -8.396   8.863   9.321
  732    HA   PRO  95           HA       PRO  95 -11.052   6.841  10.055
  733   1HB   HIS  96          2HB       HIS  96 -14.030  11.148   8.340
  734   2HB   HIS  96          1HB       HIS  96 -13.944  10.882   6.600
  735    H    HIS  96           H        HIS  96 -12.125   9.331   7.853
  736    HA   HIS  96           HA       HIS  96 -14.931   8.755   8.496
  737    HD1  HIS  96           HD1      HIS  96 -15.752  12.620   6.074
  738    HD2  HIS  96           HD2      HIS  96 -17.039   9.583   8.601
  739    HE1  HIS  96           HE1      HIS  96 -18.254  12.851   6.182
  740    HE2  HIS  96           HE2      HIS  96 -19.004  11.048   7.775
  741    H    ALA  97           H        ALA  97 -12.697   7.405   6.651
  742    HA   ALA  97           HA       ALA  97 -14.074   7.288   4.118
  743   1HB   ALA  97          2HB       ALA  97 -12.199   5.262   4.099
  744   2HB   ALA  97          1HB       ALA  97 -11.957   6.909   3.519
  745   3HB   ALA  97          3HB       ALA  97 -11.486   6.475   5.162
  746   1HB   LYS  98          2HB       LYS  98 -15.095   3.994   7.577
  747   2HB   LYS  98          1HB       LYS  98 -16.697   4.420   8.163
  748   1HG   LYS  98          2HG       LYS  98 -17.147   2.263   8.355
  749   2HG   LYS  98          1HG       LYS  98 -17.033   2.116   6.601
  750   1HD   LYS  98          2HD       LYS  98 -14.531   2.093   8.225
  751   2HD   LYS  98          1HD       LYS  98 -15.533   0.642   8.173
  752   1HE   LYS  98          2HE       LYS  98 -14.779   2.028   5.635
  753   2HE   LYS  98          1HE       LYS  98 -13.621   0.966   6.435
  754    H    LYS  98           H        LYS  98 -15.841   6.518   6.033
  755    HA   LYS  98           HA       LYS  98 -16.345   3.756   5.269
  756   1HZ   LYS  98          1HZ       LYS  98 -15.905  -0.495   6.419
  757   2HZ   LYS  98          3HZ       LYS  98 -15.967   0.299   4.927
  758   3HZ   LYS  98          2HZ       LYS  98 -14.631  -0.658   5.320

  No H/Q in entry =         758
  Start of MODEL   12
    1   1HA   GLY   1          2HA       GLY   1  -8.906   2.027   8.948
    2   2HA   GLY   1          1HA       GLY   1  -9.754   3.522   8.583
    3    H1   GLY   1          2H        GLY   1 -10.749   1.099   7.303
    4    H2   GLY   1          1H        GLY   1 -11.004   1.240   8.969
    5    H3   GLY   1          3H        GLY   1 -11.598   2.426   7.918
    6    H    VAL   2           H        VAL   2  -7.270   1.552   7.648
    7    HA   VAL   2           HA       VAL   2  -6.818   3.060   5.252
    8    HB   VAL   2           HB       VAL   2  -4.810   2.612   6.269
    9   1HG1  VAL   2          2HG1      VAL   2  -6.212   0.332   7.322
   10   2HG1  VAL   2          1HG1      VAL   2  -4.594  -0.124   6.790
   11   3HG1  VAL   2          3HG1      VAL   2  -4.802   1.176   7.963
   12   1HG2  VAL   2          2HG2      VAL   2  -4.701   1.910   3.913
   13   2HG2  VAL   2          1HG2      VAL   2  -3.570   1.012   4.924
   14   3HG2  VAL   2          3HG2      VAL   2  -5.075   0.257   4.397
   15   1HB   TYR   3          2HB       TYR   3  -9.482   0.876   0.770
   16   2HB   TYR   3          1HB       TYR   3 -10.113   0.902   2.407
   17    H    TYR   3           H        TYR   3  -7.298   2.533   3.218
   18    HA   TYR   3           HA       TYR   3  -8.120  -0.238   2.678
   19    HD1  TYR   3           HD1      TYR   3  -8.797   3.125   3.689
   20    HD2  TYR   3           HD2      TYR   3 -10.125   2.779  -0.336
   21    HE1  TYR   3           HE1      TYR   3  -9.007   5.572   3.555
   22    HE2  TYR   3           HE2      TYR   3 -10.333   5.224  -0.484
   23    HH   TYR   3           HH       TYR   3  -8.972   7.322   1.716
   24   1HB   HIS   4          2HB       HIS   4  -5.212  -2.444  -0.019
   25   2HB   HIS   4          1HB       HIS   4  -6.751  -2.614  -0.840
   26    H    HIS   4           H        HIS   4  -7.602  -1.119   0.694
   27    HA   HIS   4           HA       HIS   4  -5.138  -0.110  -0.426
   28    HD1  HIS   4           HD1      HIS   4  -6.636  -3.403  -3.183
   29    HD2  HIS   4           HD2      HIS   4  -3.060  -1.693  -1.938
   30    HE1  HIS   4           HE1      HIS   4  -5.037  -3.722  -5.096
   31    HE2  HIS   4           HE2      HIS   4  -2.919  -2.568  -4.367
   32   1HB   ARG   5          2HB       ARG   5  -5.460   3.095  -3.352
   33   2HB   ARG   5          1HB       ARG   5  -6.436   3.155  -4.811
   34   1HG   ARG   5          2HG       ARG   5  -7.514   2.563  -2.064
   35   2HG   ARG   5          1HG       ARG   5  -7.537   4.149  -2.836
   36   1HD   ARG   5          2HD       ARG   5  -8.818   3.113  -4.723
   37   2HD   ARG   5          1HD       ARG   5  -8.935   1.645  -3.755
   38   1HH1  ARG   5          2HH1      ARG   5 -10.565   1.007  -3.984
   39   2HH1  ARG   5          1HH1      ARG   5 -12.206   0.954  -3.433
   40   1HH2  ARG   5          2HH2      ARG   5 -12.092   4.086  -1.884
   41   2HH2  ARG   5          1HH2      ARG   5 -13.074   2.705  -2.239
   42    H    ARG   5           H        ARG   5  -4.810   0.591  -2.504
   43    HA   ARG   5           HA       ARG   5  -7.113   0.757  -4.303
   44    HE   ARG   5           HE       ARG   5  -9.932   4.146  -2.617
   45   1HB   GLU   6          2HB       GLU   6  -6.367  -0.538  -8.110
   46   2HB   GLU   6          1HB       GLU   6  -5.612   0.356  -9.420
   47   1HG   GLU   6          2HG       GLU   6  -4.901  -1.758  -9.885
   48   2HG   GLU   6          1HG       GLU   6  -3.566  -1.185  -8.886
   49    H    GLU   6           H        GLU   6  -6.551   1.134  -6.517
   50    HA   GLU   6           HA       GLU   6  -3.842   0.199  -7.142
   51    H    ALA   7           H        ALA   7  -3.631   0.996  -9.746
   52    HA   ALA   7           HA       ALA   7  -3.258   3.891  -9.432
   53   1HB   ALA   7          1HB       ALA   7  -1.531   3.760 -11.048
   54   2HB   ALA   7          3HB       ALA   7  -1.299   2.389  -9.963
   55   3HB   ALA   7          2HB       ALA   7  -2.026   2.144 -11.551
   56   1HB   ARG   8          2HB       ARG   8  -3.944   6.837 -12.628
   57   2HB   ARG   8          1HB       ARG   8  -4.523   6.515 -14.256
   58   1HG   ARG   8          2HG       ARG   8  -6.268   7.397 -11.967
   59   2HG   ARG   8          1HG       ARG   8  -5.586   8.474 -13.188
   60   1HD   ARG   8          2HD       ARG   8  -7.013   6.161 -14.279
   61   2HD   ARG   8          1HD       ARG   8  -8.026   7.263 -13.348
   62   1HH1  ARG   8          1HH1      ARG   8  -8.629   6.102 -15.494
   63   2HH1  ARG   8          2HH1      ARG   8  -9.168   6.605 -17.062
   64   1HH2  ARG   8          1HH2      ARG   8  -7.327   9.577 -17.060
   65   2HH2  ARG   8          2HH2      ARG   8  -8.428   8.580 -17.952
   66    H    ARG   8           H        ARG   8  -3.520   5.218 -11.427
   67    HA   ARG   8           HA       ARG   8  -6.125   5.023 -12.425
   68    HE   ARG   8           HE       ARG   8  -6.625   8.906 -14.997
   69   1HB   SER   9          2HB       SER   9  -1.875   3.592 -15.465
   70   2HB   SER   9          1HB       SER   9  -1.663   1.844 -15.365
   71    H    SER   9           H        SER   9  -3.234   3.481 -13.422
   72    HA   SER   9           HA       SER   9  -4.397   2.757 -16.016
   73    HG   SER   9           HG       SER   9  -2.643   3.352 -17.554
   74   1HA   GLY  10          2HA       GLY  10  -3.307  -1.367 -13.967
   75   2HA   GLY  10          1HA       GLY  10  -4.604  -0.828 -12.913
   76    H    GLY  10           H        GLY  10  -2.856   1.303 -13.173
   77   1HB   LYS  11          2HB       LYS  11  -3.095  -4.269  -9.940
   78   2HB   LYS  11          1HB       LYS  11  -1.752  -4.714 -10.984
   79   1HG   LYS  11          2HG       LYS  11  -0.232  -4.753  -9.204
   80   2HG   LYS  11          1HG       LYS  11  -1.324  -3.861  -8.142
   81   1HD   LYS  11          2HD       LYS  11  -2.094  -5.790  -7.356
   82   2HD   LYS  11          1HD       LYS  11  -2.696  -6.184  -8.967
   83   1HE   LYS  11          2HE       LYS  11  -0.408  -7.060  -9.503
   84   2HE   LYS  11          1HE       LYS  11   0.001  -6.849  -7.801
   85    H    LYS  11           H        LYS  11  -3.098  -2.921 -12.107
   86    HA   LYS  11           HA       LYS  11  -2.107  -2.045  -9.607
   87   1HZ   LYS  11          1HZ       LYS  11  -2.271  -8.246  -7.628
   88   2HZ   LYS  11          3HZ       LYS  11  -1.639  -8.868  -9.069
   89   3HZ   LYS  11          2HZ       LYS  11  -0.731  -8.947  -7.644
   90   1HB   TYR  12          2HB       TYR  12   2.249  -3.434 -10.932
   91   2HB   TYR  12          1HB       TYR  12   3.644  -2.725 -10.126
   92    H    TYR  12           H        TYR  12  -0.058  -1.748  -8.850
   93    HA   TYR  12           HA       TYR  12   2.145  -1.177  -8.918
   94    HD1  TYR  12           HD1      TYR  12   1.437  -2.576  -7.591
   95    HD2  TYR  12           HD2      TYR  12   3.403  -5.537  -9.931
   96    HE1  TYR  12           HE1      TYR  12   1.200  -4.183  -5.747
   97    HE2  TYR  12           HE2      TYR  12   3.166  -7.154  -8.093
   98    HH   TYR  12           HH       TYR  12   2.901  -6.870  -5.416
   99   1HB   LYS  13          2HB       LYS  13  -0.327   1.475 -12.504
  100   2HB   LYS  13          1HB       LYS  13   0.719   2.184 -13.726
  101   1HG   LYS  13          2HG       LYS  13   1.279  -0.630 -13.284
  102   2HG   LYS  13          1HG       LYS  13  -0.386  -0.333 -13.788
  103   1HD   LYS  13          2HD       LYS  13   0.639   1.153 -15.612
  104   2HD   LYS  13          1HD       LYS  13   2.161   0.349 -15.221
  105   1HE   LYS  13          2HE       LYS  13   0.545  -1.791 -15.461
  106   2HE   LYS  13          1HE       LYS  13  -0.238  -0.688 -16.590
  107    H    LYS  13           H        LYS  13   1.023   0.749 -10.135
  108    HA   LYS  13           HA       LYS  13   2.685   1.268 -12.470
  109   1HZ   LYS  13          2HZ       LYS  13   2.671  -1.223 -16.675
  110   2HZ   LYS  13          1HZ       LYS  13   1.556  -2.172 -17.522
  111   3HZ   LYS  13          3HZ       LYS  13   1.702  -0.524 -17.871
  112   1HB   LEU  14          2HB       LEU  14   0.239   5.543  -8.288
  113   2HB   LEU  14          1HB       LEU  14  -0.599   4.331  -9.225
  114    H    LEU  14           H        LEU  14   1.242   2.281  -9.611
  115    HA   LEU  14           HA       LEU  14   1.467   5.117 -10.295
  116    HG   LEU  14           HG       LEU  14   0.917   2.789  -7.556
  117   1HD1  LEU  14          3HD1      LEU  14   0.590   5.435  -6.348
  118   2HD1  LEU  14          2HD1      LEU  14   0.056   4.096  -5.333
  119   3HD1  LEU  14          1HD1      LEU  14   1.708   4.131  -5.948
  120   1HD2  LEU  14          1HD2      LEU  14  -1.888   3.840  -7.306
  121   2HD2  LEU  14          3HD2      LEU  14  -1.353   2.299  -7.973
  122   3HD2  LEU  14          2HD2      LEU  14  -1.238   2.596  -6.238
  123    H    THR  15           H        THR  15   2.367   6.522  -8.492
  124    HA   THR  15           HA       THR  15   4.792   5.249  -7.393
  125    HB   THR  15           HB       THR  15   6.039   7.222  -7.775
  126    HG1  THR  15           HG1      THR  15   3.568   8.479  -8.454
  127   1HG2  THR  15          2HG2      THR  15   4.620   5.987  -9.931
  128   2HG2  THR  15          1HG2      THR  15   4.862   7.695 -10.300
  129   3HG2  THR  15          3HG2      THR  15   6.247   6.668  -9.922
  130   1HB   TYR  16          2HB       TYR  16   6.404   7.477  -3.423
  131   2HB   TYR  16          1HB       TYR  16   6.382   9.072  -4.168
  132    H    TYR  16           H        TYR  16   5.565   7.673  -6.016
  133    HA   TYR  16           HA       TYR  16   3.972   7.319  -3.630
  134    HD1  TYR  16           HD1      TYR  16   5.062   7.211  -1.222
  135    HD2  TYR  16           HD2      TYR  16   6.233  10.971  -2.831
  136    HE1  TYR  16           HE1      TYR  16   4.791   8.237   0.995
  137    HE2  TYR  16           HE2      TYR  16   5.968  12.008  -0.617
  138    HH   TYR  16           HH       TYR  16   5.003  11.693   1.461
  139    H    ALA  17           H        ALA  17   4.904  10.051  -5.711
  140    HA   ALA  17           HA       ALA  17   3.227  11.953  -4.487
  141   1HB   ALA  17          3HB       ALA  17   5.125  12.502  -5.988
  142   2HB   ALA  17          2HB       ALA  17   4.170  11.921  -7.352
  143   3HB   ALA  17          1HB       ALA  17   3.629  13.324  -6.431
  144   1HB   GLU  18          2HB       GLU  18   1.628   7.914  -8.163
  145   2HB   GLU  18          1HB       GLU  18  -0.022   8.117  -8.735
  146   1HG   GLU  18          2HG       GLU  18   0.587   9.620 -10.370
  147   2HG   GLU  18          1HG       GLU  18   2.071  10.082  -9.537
  148    H    GLU  18           H        GLU  18   2.709   9.538  -6.958
  149    HA   GLU  18           HA       GLU  18   0.165  10.524  -7.822
  150    H    ALA  19           H        ALA  19   1.110   7.663  -5.936
  151    HA   ALA  19           HA       ALA  19  -1.324   6.760  -5.103
  152   1HB   ALA  19          1HB       ALA  19   0.092   5.348  -4.129
  153   2HB   ALA  19          2HB       ALA  19   0.288   6.532  -2.836
  154   3HB   ALA  19          3HB       ALA  19   1.402   6.529  -4.205
  155   1HB   LYS  20          2HB       LYS  20   1.286  10.753  -1.919
  156   2HB   LYS  20          1HB       LYS  20   0.533  11.976  -2.932
  157   1HG   LYS  20          2HG       LYS  20  -0.504  13.012  -1.125
  158   2HG   LYS  20          1HG       LYS  20  -0.315  11.598  -0.087
  159   1HD   LYS  20          2HD       LYS  20   2.249  12.064  -0.510
  160   2HD   LYS  20          1HD       LYS  20   1.660  13.700  -0.819
  161   1HE   LYS  20          2HE       LYS  20   2.038  13.835   1.429
  162   2HE   LYS  20          1HE       LYS  20   0.359  13.298   1.432
  163    H    LYS  20           H        LYS  20   0.574   9.375  -3.670
  164    HA   LYS  20           HA       LYS  20  -1.066   9.884  -1.471
  165   1HZ   LYS  20          1HZ       LYS  20   2.505  11.292   1.478
  166   2HZ   LYS  20          3HZ       LYS  20   2.110  12.108   2.907
  167   3HZ   LYS  20          2HZ       LYS  20   0.934  11.198   2.099
  168    H    ALA  21           H        ALA  21  -1.027  11.334  -4.709
  169    HA   ALA  21           HA       ALA  21  -3.108  13.177  -4.268
  170   1HB   ALA  21          3HB       ALA  21  -3.102  13.553  -6.578
  171   2HB   ALA  21          2HB       ALA  21  -1.447  13.061  -6.217
  172   3HB   ALA  21          1HB       ALA  21  -2.573  11.909  -6.935
  173    H    VAL  22           H        VAL  22  -3.149   9.865  -5.545
  174    HA   VAL  22           HA       VAL  22  -5.838   9.676  -6.202
  175    HB   VAL  22           HB       VAL  22  -3.700   7.759  -5.507
  176   1HG1  VAL  22          1HG1      VAL  22  -6.607   6.982  -5.379
  177   2HG1  VAL  22          3HG1      VAL  22  -5.250   5.856  -5.414
  178   3HG1  VAL  22          2HG1      VAL  22  -5.451   6.952  -4.047
  179   1HG2  VAL  22          3HG2      VAL  22  -4.154   8.444  -7.803
  180   2HG2  VAL  22          2HG2      VAL  22  -4.432   6.715  -7.586
  181   3HG2  VAL  22          1HG2      VAL  22  -5.800   7.825  -7.669
  182   1HB   CYS  23          2HB       CYS  23  -3.721   9.272  -1.032
  183   2HB   CYS  23          1HB       CYS  23  -4.901   9.473   0.258
  184    H    CYS  23           H        CYS  23  -4.204   9.283  -3.113
  185    HA   CYS  23           HA       CYS  23  -6.491   8.419  -1.655
  186   1HB   GLU  24          2HB       GLU  24  -4.130  13.457  -1.504
  187   2HB   GLU  24          1HB       GLU  24  -5.294  14.694  -1.956
  188   1HG   GLU  24          2HG       GLU  24  -5.684  15.118   0.463
  189   2HG   GLU  24          1HG       GLU  24  -4.380  13.986   0.822
  190    H    GLU  24           H        GLU  24  -4.704  11.490  -1.609
  191    HA   GLU  24           HA       GLU  24  -6.548  12.933  -0.094
  192   1HB   PHE  25          2HB       PHE  25  -7.323  12.331  -5.747
  193   2HB   PHE  25          1HB       PHE  25  -8.161  10.906  -5.142
  194    H    PHE  25           H        PHE  25  -6.944  11.669  -3.153
  195    HA   PHE  25           HA       PHE  25  -8.612  13.759  -4.234
  196    HD1  PHE  25           HD1      PHE  25  -8.688  14.107  -6.934
  197    HD2  PHE  25           HD2      PHE  25 -10.170  10.208  -6.094
  198    HE1  PHE  25           HE1      PHE  25 -10.420  14.399  -8.657
  199    HE2  PHE  25           HE2      PHE  25 -11.905  10.492  -7.816
  200    HZ   PHE  25           HZ       PHE  25 -12.031  12.590  -9.099
  201   1HB   GLU  26          2HB       GLU  26  -9.910   8.876  -1.691
  202   2HB   GLU  26          1HB       GLU  26 -11.560   8.800  -1.090
  203   1HG   GLU  26          2HG       GLU  26 -11.708   9.051  -3.895
  204   2HG   GLU  26          1HG       GLU  26 -10.495   7.823  -3.540
  205    H    GLU  26           H        GLU  26  -8.995  10.764  -2.474
  206    HA   GLU  26           HA       GLU  26 -11.893  10.859  -2.716
  207   1HA   GLY  27          1HA       GLY  27 -11.586  12.791   1.292
  208   2HA   GLY  27          2HA       GLY  27 -10.242  13.851   0.886
  209    H    GLY  27           H        GLY  27  -9.628  12.338  -0.851
  210   1HA   GLY  28          2HA       GLY  28  -8.071   9.660   2.599
  211   2HA   GLY  28          1HA       GLY  28  -8.041  11.105   3.601
  212    H    GLY  28           H        GLY  28  -8.567  11.271   0.700
  213   1HB   HIS  29          2HB       HIS  29  -2.631  10.576   4.163
  214   2HB   HIS  29          1HB       HIS  29  -3.060  11.980   3.191
  215    H    HIS  29           H        HIS  29  -5.878   9.419   3.498
  216    HA   HIS  29           HA       HIS  29  -3.942  10.602   1.667
  217    HD1  HIS  29           HD1      HIS  29  -4.704   9.750   5.802
  218    HD2  HIS  29           HD2      HIS  29  -4.728  13.685   4.466
  219    HE1  HIS  29           HE1      HIS  29  -6.236  10.983   7.369
  220    HE2  HIS  29           HE2      HIS  29  -6.307  13.341   6.486
  221   1HB   LEU  30          2HB       LEU  30   0.400   8.511   2.172
  222   2HB   LEU  30          1HB       LEU  30   0.519   6.781   1.944
  223    H    LEU  30           H        LEU  30  -1.709   9.545   2.078
  224    HA   LEU  30           HA       LEU  30  -2.015   6.752   1.793
  225    HG   LEU  30           HG       LEU  30  -0.504   8.822  -0.022
  226   1HD1  LEU  30          2HD1      LEU  30   2.029   8.115   0.422
  227   2HD1  LEU  30          1HD1      LEU  30   1.567   6.812  -0.672
  228   3HD1  LEU  30          3HD1      LEU  30   1.412   8.491  -1.186
  229   1HD2  LEU  30          1HD2      LEU  30  -1.609   6.353   0.259
  230   2HD2  LEU  30          3HD2      LEU  30  -1.534   7.257  -1.253
  231   3HD2  LEU  30          2HD2      LEU  30  -0.316   6.033  -0.896
  232    H    ALA  31           H        ALA  31  -2.104   5.193   3.283
  233    HA   ALA  31           HA       ALA  31  -2.121   5.751   6.045
  234   1HB   ALA  31          3HB       ALA  31  -2.266   3.309   4.384
  235   2HB   ALA  31          2HB       ALA  31  -1.809   3.109   6.076
  236   3HB   ALA  31          1HB       ALA  31  -3.340   3.881   5.661
  237    H    THR  32           H        THR  32  -0.717   3.711   7.235
  238    HA   THR  32           HA       THR  32   2.095   4.211   6.563
  239    HB   THR  32           HB       THR  32   2.669   5.097   8.552
  240    HG1  THR  32           HG1      THR  32   1.361   4.458  10.523
  241   1HG2  THR  32          2HG2      THR  32  -0.220   5.675   8.195
  242   2HG2  THR  32          1HG2      THR  32   0.526   6.153   9.720
  243   3HG2  THR  32          3HG2      THR  32   1.161   6.772   8.196
  244   1HB   TYR  33          2HB       TYR  33   5.247   1.191   7.758
  245   2HB   TYR  33          1HB       TYR  33   4.900   0.908   9.458
  246    H    TYR  33           H        TYR  33   3.573   2.731   7.811
  247    HA   TYR  33           HA       TYR  33   2.970   0.067   7.308
  248    HD1  TYR  33           HD1      TYR  33   5.604  -0.719   6.231
  249    HD2  TYR  33           HD2      TYR  33   5.047  -1.283  10.411
  250    HE1  TYR  33           HE1      TYR  33   6.505  -2.999   6.038
  251    HE2  TYR  33           HE2      TYR  33   5.946  -3.564  10.229
  252    HH   TYR  33           HH       TYR  33   7.607  -4.677   7.525
  253   1HB   LYS  34          2HB       LYS  34   2.782   2.298  12.442
  254   2HB   LYS  34          1HB       LYS  34   1.060   2.266  12.788
  255   1HG   LYS  34          2HG       LYS  34   1.310   0.952  14.638
  256   2HG   LYS  34          1HG       LYS  34   2.792   0.201  14.040
  257   1HD   LYS  34          2HD       LYS  34   3.393   2.918  14.303
  258   2HD   LYS  34          1HD       LYS  34   2.461   2.505  15.744
  259   1HE   LYS  34          2HE       LYS  34   4.039   1.048  16.518
  260   2HE   LYS  34          1HE       LYS  34   4.607   0.635  14.900
  261    H    LYS  34           H        LYS  34   2.997   1.764  10.427
  262    HA   LYS  34           HA       LYS  34   2.178  -0.346  12.041
  263   1HZ   LYS  34          2HZ       LYS  34   5.081   3.318  16.032
  264   2HZ   LYS  34          1HZ       LYS  34   6.116   2.030  16.393
  265   3HZ   LYS  34          3HZ       LYS  34   5.914   2.530  14.789
  266   1HB   GLN  35          2HB       GLN  35  -1.593   2.572   8.676
  267   2HB   GLN  35          1HB       GLN  35  -3.197   2.470   9.380
  268   1HG   GLN  35          2HG       GLN  35  -2.454   3.793  11.289
  269   2HG   GLN  35          1HG       GLN  35  -0.838   3.891  10.590
  270   1HE2  GLN  35          1HE2      GLN  35  -2.924   5.935  11.258
  271   2HE2  GLN  35          2HE2      GLN  35  -3.108   6.859   9.810
  272    H    GLN  35           H        GLN  35   0.201   2.122  10.415
  273    HA   GLN  35           HA       GLN  35  -2.292   1.224  11.290
  274   1HB   LEU  36          2HB       LEU  36   0.600  -0.805   7.021
  275   2HB   LEU  36          1HB       LEU  36   0.425  -2.548   7.012
  276    H    LEU  36           H        LEU  36  -0.265   0.210   8.599
  277    HA   LEU  36           HA       LEU  36  -2.171  -1.402   7.284
  278    HG   LEU  36           HG       LEU  36   0.342  -1.890   4.750
  279   1HD1  LEU  36          1HD1      LEU  36  -1.690  -3.268   5.854
  280   2HD1  LEU  36          3HD1      LEU  36  -2.583  -1.947   5.098
  281   3HD1  LEU  36          2HD1      LEU  36  -1.531  -2.974   4.122
  282   1HD2  LEU  36          2HD2      LEU  36  -0.765   0.507   5.805
  283   2HD2  LEU  36          1HD2      LEU  36  -0.166   0.188   4.178
  284   3HD2  LEU  36          3HD2      LEU  36  -1.857  -0.120   4.570
  285   1HB   GLU  37          2HB       GLU  37   1.366  -3.388  11.428
  286   2HB   GLU  37          1HB       GLU  37   0.072  -2.775  12.442
  287   1HG   GLU  37          2HG       GLU  37  -0.395  -5.288  12.900
  288   2HG   GLU  37          1HG       GLU  37   1.266  -5.502  12.347
  289    H    GLU  37           H        GLU  37  -0.077  -1.940  10.024
  290    HA   GLU  37           HA       GLU  37  -0.302  -4.748  10.182
  291    H    ALA  38           H        ALA  38  -1.965  -2.205  12.014
  292    HA   ALA  38           HA       ALA  38  -3.772  -3.757  13.409
  293   1HB   ALA  38          1HB       ALA  38  -3.431  -1.319  13.720
  294   2HB   ALA  38          2HB       ALA  38  -5.132  -1.778  13.631
  295   3HB   ALA  38          3HB       ALA  38  -4.343  -1.037  12.237
  296    H    ALA  39           H        ALA  39  -3.763  -2.798  10.076
  297    HA   ALA  39           HA       ALA  39  -6.478  -3.624   9.552
  298   1HB   ALA  39          3HB       ALA  39  -4.275  -3.041   7.579
  299   2HB   ALA  39          1HB       ALA  39  -5.336  -1.818   8.278
  300   3HB   ALA  39          2HB       ALA  39  -6.008  -3.090   7.255
  301   1HB   ARG  40          2HB       ARG  40  -1.619  -6.404   8.156
  302   2HB   ARG  40          1HB       ARG  40  -1.713  -6.980   9.815
  303   1HG   ARG  40          2HG       ARG  40  -2.390  -9.055   7.914
  304   2HG   ARG  40          1HG       ARG  40  -0.784  -8.386   7.626
  305   1HD   ARG  40          2HD       ARG  40  -1.808  -9.458  10.253
  306   2HD   ARG  40          1HD       ARG  40  -0.706 -10.292   9.158
  307   1HH1  ARG  40          1HH1      ARG  40   0.408 -11.160  10.262
  308   2HH1  ARG  40          2HH1      ARG  40   1.926 -11.145  11.095
  309   1HH2  ARG  40          1HH2      ARG  40   2.114  -7.659  11.291
  310   2HH2  ARG  40          2HH2      ARG  40   2.896  -9.156  11.681
  311    H    ARG  40           H        ARG  40  -3.285  -5.001   9.402
  312    HA   ARG  40           HA       ARG  40  -3.934  -7.249   7.783
  313    HE   ARG  40           HE       ARG  40   0.116  -7.690  10.194
  314   1HB   LYS  41          2HB       LYS  41  -4.737  -8.333  14.216
  315   2HB   LYS  41          1HB       LYS  41  -3.791  -7.076  13.432
  316   1HG   LYS  41          2HG       LYS  41  -5.597  -5.661  13.218
  317   2HG   LYS  41          1HG       LYS  41  -6.769  -6.973  13.344
  318   1HD   LYS  41          2HD       LYS  41  -5.239  -6.919  15.739
  319   2HD   LYS  41          1HD       LYS  41  -5.788  -5.276  15.398
  320   1HE   LYS  41          2HE       LYS  41  -7.557  -7.717  15.475
  321   2HE   LYS  41          1HE       LYS  41  -7.381  -6.552  16.788
  322    H    LYS  41           H        LYS  41  -3.992  -6.608  11.233
  323    HA   LYS  41           HA       LYS  41  -4.370  -9.239  12.117
  324   1HZ   LYS  41          1HZ       LYS  41  -8.009  -5.276  14.316
  325   2HZ   LYS  41          3HZ       LYS  41  -9.182  -6.422  14.733
  326   3HZ   LYS  41          2HZ       LYS  41  -8.798  -5.173  15.807
  327   1HG1  ILE  42          2HG1      ILE  42  -8.655  -4.988   8.999
  328   2HG1  ILE  42          1HG1      ILE  42  -8.016  -6.583   8.615
  329    H    ILE  42           H        ILE  42  -6.515  -6.931  10.703
  330    HA   ILE  42           HA       ILE  42  -8.912  -8.312  11.573
  331    HB   ILE  42           HB       ILE  42 -10.154  -6.597  10.634
  332   1HG2  ILE  42          2HG2      ILE  42  -8.172  -5.929  12.311
  333   2HG2  ILE  42          1HG2      ILE  42  -7.781  -4.873  10.955
  334   3HG2  ILE  42          3HG2      ILE  42  -9.369  -4.776  11.717
  335   1HD1  ILE  42          3HD1      ILE  42 -10.962  -6.190   8.671
  336   2HD1  ILE  42          2HD1      ILE  42 -10.035  -5.596   7.293
  337   3HD1  ILE  42          1HD1      ILE  42  -9.988  -7.308   7.717
  338   1HA   GLY  43          1HA       GLY  43  -8.527 -10.262   7.534
  339   2HA   GLY  43          2HA       GLY  43  -6.784 -10.478   7.619
  340    H    GLY  43           H        GLY  43  -6.688  -8.475   8.999
  341   1HB   PHE  44          2HB       PHE  44  -6.562  -5.407   6.350
  342   2HB   PHE  44          1HB       PHE  44  -4.860  -5.765   6.086
  343    H    PHE  44           H        PHE  44  -5.958  -7.871   7.147
  344    HA   PHE  44           HA       PHE  44  -7.106  -7.110   4.574
  345    HD1  PHE  44           HD1      PHE  44  -6.435  -6.109   3.007
  346    HD2  PHE  44           HD2      PHE  44  -5.159  -3.130   5.766
  347    HE1  PHE  44           HE1      PHE  44  -6.380  -4.450   1.189
  348    HE2  PHE  44           HE2      PHE  44  -5.107  -1.469   3.953
  349    HZ   PHE  44           HZ       PHE  44  -5.720  -2.129   1.664
  350   1HB   HIS  45          2HB       HIS  45  -4.003 -11.296   3.626
  351   2HB   HIS  45          1HB       HIS  45  -5.627 -11.192   2.957
  352    H    HIS  45           H        HIS  45  -6.348  -9.086   3.535
  353    HA   HIS  45           HA       HIS  45  -3.459  -9.145   3.014
  354    HD1  HIS  45           HD1      HIS  45  -5.930 -12.653   1.006
  355    HD2  HIS  45           HD2      HIS  45  -2.019 -11.279   1.292
  356    HE1  HIS  45           HE1      HIS  45  -4.699 -13.713  -0.913
  357    HE2  HIS  45           HE2      HIS  45  -2.323 -12.915  -0.684
  358    H    VAL  46           H        VAL  46  -2.633  -8.744   1.050
  359    HA   VAL  46           HA       VAL  46  -4.070  -8.967  -1.384
  360    HB   VAL  46           HB       VAL  46  -5.232  -7.011  -1.073
  361   1HG1  VAL  46          2HG1      VAL  46  -3.168  -6.477   0.880
  362   2HG1  VAL  46          1HG1      VAL  46  -3.578  -5.031  -0.044
  363   3HG1  VAL  46          3HG1      VAL  46  -4.838  -5.911   0.820
  364   1HG2  VAL  46          2HG2      VAL  46  -3.648  -6.859  -3.048
  365   2HG2  VAL  46          1HG2      VAL  46  -4.317  -5.336  -2.460
  366   3HG2  VAL  46          3HG2      VAL  46  -2.663  -5.790  -2.050
  367   1HB   CYS  47          2HB       CYS  47  -0.349  -9.598  -5.159
  368   2HB   CYS  47          1HB       CYS  47   0.440 -10.448  -3.834
  369    H    CYS  47           H        CYS  47  -2.682  -9.036  -3.082
  370    HA   CYS  47           HA       CYS  47   0.146  -8.710  -2.466
  371    H    ALA  48           H        ALA  48  -0.569  -6.289  -2.429
  372    HA   ALA  48           HA       ALA  48   0.483  -5.133  -4.862
  373   1HB   ALA  48          2HB       ALA  48  -2.140  -5.347  -4.945
  374   2HB   ALA  48          3HB       ALA  48  -1.320  -3.904  -5.545
  375   3HB   ALA  48          1HB       ALA  48  -2.063  -3.897  -3.945
  376    H    ALA  49           H        ALA  49   2.199  -4.464  -3.590
  377    HA   ALA  49           HA       ALA  49   2.241  -3.309  -1.130
  378   1HB   ALA  49          2HB       ALA  49   4.389  -3.244  -1.667
  379   2HB   ALA  49          1HB       ALA  49   3.998  -3.417  -3.379
  380   3HB   ALA  49          3HB       ALA  49   4.075  -1.813  -2.649
  381   1HA   GLY  50          2HA       GLY  50  -0.001   0.331  -0.326
  382   2HA   GLY  50          1HA       GLY  50   0.514   0.631  -1.978
  383    H    GLY  50           H        GLY  50   1.695  -1.415  -0.208
  384   1HB   TRP  51          2HB       TRP  51   1.881   4.838  -2.372
  385   2HB   TRP  51          1HB       TRP  51   3.295   5.565  -1.614
  386    H    TRP  51           H        TRP  51   1.363   2.604  -2.046
  387    HA   TRP  51           HA       TRP  51   3.780   3.204  -0.701
  388    HD1  TRP  51           HD1      TRP  51   2.261   3.390  -4.526
  389    HE1  TRP  51           HE1      TRP  51   4.318   2.914  -6.007
  390    HE3  TRP  51           HE3      TRP  51   5.915   5.234  -1.460
  391    HZ2  TRP  51           HZ2      TRP  51   7.112   3.276  -5.888
  392    HZ3  TRP  51           HZ3      TRP  51   8.253   5.131  -2.219
  393    HH2  TRP  51           HH2      TRP  51   8.837   4.172  -4.387
  394   1HB   MET  52          2HB       MET  52   3.282   4.206   4.726
  395   2HB   MET  52          1HB       MET  52   1.820   3.499   4.056
  396   1HG   MET  52          2HG       MET  52   2.949   1.848   2.955
  397   2HG   MET  52          1HG       MET  52   4.429   2.796   2.822
  398    H    MET  52           H        MET  52   4.021   3.779   1.345
  399    HA   MET  52           HA       MET  52   1.840   5.261   2.659
  400   1HE   MET  52          3HE       MET  52   3.231  -0.048   3.661
  401   2HE   MET  52          2HE       MET  52   4.531  -0.679   4.672
  402   3HE   MET  52          1HE       MET  52   2.977  -0.255   5.394
  403    H    ALA  53           H        ALA  53   3.035   6.111   4.917
  404    HA   ALA  53           HA       ALA  53   4.332   8.435   4.215
  405   1HB   ALA  53          1HB       ALA  53   3.818   8.731   6.362
  406   2HB   ALA  53          3HB       ALA  53   3.801   6.996   6.675
  407   3HB   ALA  53          2HB       ALA  53   5.320   7.889   6.742
  408   1HB   LYS  54          2HB       LYS  54   8.383   6.252   5.246
  409   2HB   LYS  54          1HB       LYS  54   9.954   6.965   4.916
  410   1HG   LYS  54          2HG       LYS  54   9.876   8.323   6.725
  411   2HG   LYS  54          1HG       LYS  54   8.124   8.510   6.649
  412   1HD   LYS  54          2HD       LYS  54   7.728   6.557   7.812
  413   2HD   LYS  54          1HD       LYS  54   9.286   5.856   7.369
  414   1HE   LYS  54          2HE       LYS  54   9.489   8.311   8.946
  415   2HE   LYS  54          1HE       LYS  54   8.689   6.983   9.787
  416    H    LYS  54           H        LYS  54   6.518   9.150   4.454
  417    HA   LYS  54           HA       LYS  54   8.768   9.040   4.153
  418   1HZ   LYS  54          3HZ       LYS  54  11.300   6.671   8.421
  419   2HZ   LYS  54          2HZ       LYS  54  11.166   7.113  10.048
  420   3HZ   LYS  54          1HZ       LYS  54  10.572   5.618   9.529
  421   1HA   GLY  55          1HA       GLY  55   8.339   7.095   0.180
  422   2HA   GLY  55          2HA       GLY  55   6.624   6.728   0.193
  423    H    GLY  55           H        GLY  55   6.575   7.333   2.414
  424   1HB   ARG  56          2HB       ARG  56   8.227   3.394   4.039
  425   2HB   ARG  56          1HB       ARG  56   6.680   2.589   3.823
  426   1HG   ARG  56          2HG       ARG  56   7.850   0.525   3.207
  427   2HG   ARG  56          1HG       ARG  56   9.396   1.337   3.462
  428   1HD   ARG  56          2HD       ARG  56   7.323   1.224   5.625
  429   2HD   ARG  56          1HD       ARG  56   8.443  -0.112   5.365
  430   1HH1  ARG  56          1HH1      ARG  56   7.434   0.976   7.529
  431   2HH1  ARG  56          2HH1      ARG  56   8.101   1.639   8.983
  432   1HH2  ARG  56          1HH2      ARG  56  10.999   2.852   7.445
  433   2HH2  ARG  56          2HH2      ARG  56  10.129   2.706   8.936
  434    H    ARG  56           H        ARG  56   7.007   4.932   2.552
  435    HA   ARG  56           HA       ARG  56   8.683   2.791   1.583
  436    HE   ARG  56           HE       ARG  56  10.110   1.975   5.537
  437    H    VAL  57           H        VAL  57   7.929   0.685   1.003
  438    HA   VAL  57           HA       VAL  57   5.099   0.541   0.236
  439    HB   VAL  57           HB       VAL  57   5.458   0.212  -1.956
  440   1HG1  VAL  57          1HG1      VAL  57   6.872   2.234  -1.254
  441   2HG1  VAL  57          3HG1      VAL  57   8.264   1.193  -1.555
  442   3HG1  VAL  57          2HG1      VAL  57   7.135   1.558  -2.861
  443   1HG2  VAL  57          1HG2      VAL  57   7.904  -1.337  -1.148
  444   2HG2  VAL  57          3HG2      VAL  57   6.395  -1.945  -1.829
  445   3HG2  VAL  57          2HG2      VAL  57   7.503  -1.011  -2.834
  446   1HA   GLY  58          2HA       GLY  58   5.096  -3.364   2.084
  447   2HA   GLY  58          1HA       GLY  58   5.627  -3.905   0.501
  448    H    GLY  58           H        GLY  58   4.179  -1.484   0.246
  449   1HB   TYR  59          2HB       TYR  59   1.324  -7.092  -1.093
  450   2HB   TYR  59          1HB       TYR  59   1.784  -5.463  -1.581
  451    H    TYR  59           H        TYR  59   4.271  -5.751   0.850
  452    HA   TYR  59           HA       TYR  59   1.394  -5.222   0.703
  453    HD1  TYR  59           HD1      TYR  59   4.327  -4.957  -1.703
  454    HD2  TYR  59           HD2      TYR  59   2.709  -8.900  -1.608
  455    HE1  TYR  59           HE1      TYR  59   6.410  -5.831  -2.668
  456    HE2  TYR  59           HE2      TYR  59   4.793  -9.778  -2.571
  457    HH   TYR  59           HH       TYR  59   6.723  -8.677  -4.104
  458   1HB   PRO  60          2HB       PRO  60  -0.607  -8.190   4.810
  459   2HB   PRO  60          1HB       PRO  60   0.780  -7.217   5.301
  460   1HG   PRO  60          2HG       PRO  60  -1.430  -6.555   3.410
  461   2HG   PRO  60          1HG       PRO  60  -0.624  -5.521   4.601
  462   1HD   PRO  60          2HD       PRO  60  -0.072  -5.426   1.944
  463   2HD   PRO  60          1HD       PRO  60   1.130  -5.052   3.194
  464    HA   PRO  60           HA       PRO  60   1.906  -8.505   3.782
  465   1HG1  ILE  61          2HG1      ILE  61   2.418 -10.375   0.735
  466   2HG1  ILE  61          1HG1      ILE  61   2.619 -11.429  -0.660
  467    H    ILE  61           H        ILE  61   1.842 -10.435   2.775
  468    HA   ILE  61           HA       ILE  61  -0.637 -11.231   1.417
  469    HB   ILE  61           HB       ILE  61   1.930 -12.766   1.235
  470   1HG2  ILE  61          2HG2      ILE  61  -0.649 -13.009   0.132
  471   2HG2  ILE  61          1HG2      ILE  61   0.427 -12.536  -1.183
  472   3HG2  ILE  61          3HG2      ILE  61   0.782 -13.976  -0.227
  473   1HD1  ILE  61          2HD1      ILE  61   0.087  -9.904  -0.187
  474   2HD1  ILE  61          1HD1      ILE  61   1.466  -9.202  -1.033
  475   3HD1  ILE  61          3HD1      ILE  61   0.673 -10.638  -1.680
  476    H    VAL  62           H        VAL  62  -1.928 -12.059   2.983
  477    HA   VAL  62           HA       VAL  62  -0.872 -13.910   4.952
  478    HB   VAL  62           HB       VAL  62  -3.776 -13.231   4.536
  479   1HG1  VAL  62          1HG1      VAL  62  -2.164 -14.203   6.888
  480   2HG1  VAL  62          3HG1      VAL  62  -3.836 -13.651   7.003
  481   3HG1  VAL  62          2HG1      VAL  62  -3.439 -15.064   6.025
  482   1HG2  VAL  62          1HG2      VAL  62  -2.347 -11.171   4.715
  483   2HG2  VAL  62          3HG2      VAL  62  -3.572 -11.348   5.971
  484   3HG2  VAL  62          2HG2      VAL  62  -1.884 -11.721   6.327
  485   1HB   LYS  63          2HB       LYS  63  -4.970 -15.270   1.987
  486   2HB   LYS  63          1HB       LYS  63  -4.614 -15.460   0.277
  487   1HG   LYS  63          2HG       LYS  63  -5.143 -17.690   0.272
  488   2HG   LYS  63          1HG       LYS  63  -4.775 -17.892   1.987
  489   1HD   LYS  63          2HD       LYS  63  -6.888 -16.034   1.822
  490   2HD   LYS  63          1HD       LYS  63  -7.291 -17.357   0.728
  491   1HE   LYS  63          2HE       LYS  63  -6.490 -17.675   3.617
  492   2HE   LYS  63          1HE       LYS  63  -8.146 -17.711   3.015
  493    H    LYS  63           H        LYS  63  -2.644 -13.971   1.956
  494    HA   LYS  63           HA       LYS  63  -2.843 -16.903   2.167
  495   1HZ   LYS  63          2HZ       LYS  63  -6.225 -19.546   1.799
  496   2HZ   LYS  63          1HZ       LYS  63  -6.753 -19.897   3.366
  497   3HZ   LYS  63          3HZ       LYS  63  -7.874 -19.756   2.107
  498   1HB   PRO  64          2HB       PRO  64   0.513 -19.064  -0.704
  499   2HB   PRO  64          1HB       PRO  64   1.777 -17.837  -0.798
  500   1HG   PRO  64          2HG       PRO  64   1.074 -18.927   1.538
  501   2HG   PRO  64          1HG       PRO  64   1.528 -17.219   1.413
  502   1HD   PRO  64          1HD       PRO  64  -1.170 -18.445   1.724
  503   2HD   PRO  64          2HD       PRO  64  -0.543 -16.912   2.364
  504    HA   PRO  64           HA       PRO  64   0.280 -16.132  -1.123
  505   1HA   GLY  65          2HA       GLY  65  -1.973 -17.359  -4.587
  506   2HA   GLY  65          1HA       GLY  65  -1.242 -18.942  -4.366
  507    H    GLY  65           H        GLY  65   0.477 -16.985  -3.291
  508   1HB   PRO  66          2HB       PRO  66  -0.863 -17.540 -10.111
  509   2HB   PRO  66          1HB       PRO  66  -0.765 -19.155  -9.401
  510   1HG   PRO  66          2HG       PRO  66  -2.694 -16.940  -8.818
  511   2HG   PRO  66          1HG       PRO  66  -3.008 -18.674  -9.011
  512   1HD   PRO  66          1HD       PRO  66  -2.820 -17.465  -6.583
  513   2HD   PRO  66          2HD       PRO  66  -2.360 -19.158  -6.856
  514    HA   PRO  66           HA       PRO  66   0.899 -18.166  -8.155
  515   1HB   ASN  67          2HB       ASN  67   0.435 -13.676 -10.001
  516   2HB   ASN  67          1HB       ASN  67   2.026 -13.077 -10.461
  517   1HD2  ASN  67          2HD2      ASN  67  -0.338 -14.592 -11.774
  518   2HD2  ASN  67          1HD2      ASN  67   0.460 -15.807 -12.706
  519    H    ASN  67           H        ASN  67   2.262 -16.549  -8.539
  520    HA   ASN  67           HA       ASN  67   3.123 -14.474  -8.894
  521   1HB   CYS  68          2HB       CYS  68  -1.040 -13.151  -5.818
  522   2HB   CYS  68          1HB       CYS  68  -0.630 -14.631  -4.958
  523    H    CYS  68           H        CYS  68   1.550 -15.084  -6.422
  524    HA   CYS  68           HA       CYS  68   1.192 -12.298  -5.555
  525   1HA   GLY  69          2HA       GLY  69   1.920 -16.270  -2.043
  526   2HA   GLY  69          1HA       GLY  69   2.277 -14.601  -1.615
  527    H    GLY  69           H        GLY  69   0.891 -15.445  -3.924
  528   1HB   PHE  70          2HB       PHE  70   6.114 -12.824  -1.861
  529   2HB   PHE  70          1HB       PHE  70   7.264 -13.759  -0.912
  530    H    PHE  70           H        PHE  70   4.357 -14.123  -1.454
  531    HA   PHE  70           HA       PHE  70   6.284 -15.090  -3.358
  532    HD1  PHE  70           HD1      PHE  70   9.422 -14.414  -1.867
  533    HD2  PHE  70           HD2      PHE  70   6.697 -11.934  -3.998
  534    HE1  PHE  70           HE1      PHE  70  11.231 -13.745  -3.394
  535    HE2  PHE  70           HE2      PHE  70   8.501 -11.262  -5.529
  536    HZ   PHE  70           HZ       PHE  70  10.771 -12.168  -5.229
  537   1HA   GLY  71          1HA       GLY  71   7.312 -18.115  -0.206
  538   2HA   GLY  71          2HA       GLY  71   5.730 -18.858  -0.415
  539    H    GLY  71           H        GLY  71   4.865 -16.596  -0.876
  540   1HB   LYS  72          2HB       LYS  72   7.663 -14.871   3.120
  541   2HB   LYS  72          1HB       LYS  72   6.920 -14.893   4.715
  542   1HG   LYS  72          2HG       LYS  72   8.659 -16.064   5.424
  543   2HG   LYS  72          1HG       LYS  72   8.089 -17.406   4.429
  544   1HD   LYS  72          2HD       LYS  72   9.808 -17.188   3.031
  545   2HD   LYS  72          1HD       LYS  72   9.490 -15.466   2.823
  546   1HE   LYS  72          2HE       LYS  72  11.460 -15.175   3.846
  547   2HE   LYS  72          1HE       LYS  72  10.571 -15.536   5.325
  548    H    LYS  72           H        LYS  72   6.740 -15.946   1.360
  549    HA   LYS  72           HA       LYS  72   6.033 -17.251   3.878
  550   1HZ   LYS  72          2HZ       LYS  72  11.168 -17.901   4.982
  551   2HZ   LYS  72          1HZ       LYS  72  12.150 -17.439   3.686
  552   3HZ   LYS  72          3HZ       LYS  72  12.505 -16.902   5.250
  553    H    THR  73           H        THR  73   4.836 -15.911   5.501
  554    HA   THR  73           HA       THR  73   2.657 -14.439   4.169
  555    HB   THR  73           HB       THR  73   1.207 -15.111   6.040
  556    HG1  THR  73           HG1      THR  73   2.088 -15.921   7.779
  557   1HG2  THR  73          2HG2      THR  73   2.577 -17.188   4.379
  558   2HG2  THR  73          1HG2      THR  73   1.364 -17.674   5.563
  559   3HG2  THR  73          3HG2      THR  73   0.931 -16.566   4.261
  560   1HA   GLY  74          2HA       GLY  74   3.923 -11.303   6.960
  561   2HA   GLY  74          1HA       GLY  74   2.203 -10.948   6.850
  562    H    GLY  74           H        GLY  74   2.388 -12.369   4.688
  563   1HG1  ILE  75          1HG1      ILE  75   2.121  -5.449   5.366
  564   2HG1  ILE  75          2HG1      ILE  75   1.899  -6.451   6.797
  565    H    ILE  75           H        ILE  75   3.388  -8.731   6.927
  566    HA   ILE  75           HA       ILE  75   2.967  -7.435   4.505
  567    HB   ILE  75           HB       ILE  75   4.323  -6.674   7.042
  568   1HG2  ILE  75          1HG2      ILE  75   4.668  -5.243   4.427
  569   2HG2  ILE  75          3HG2      ILE  75   4.747  -4.388   5.968
  570   3HG2  ILE  75          2HG2      ILE  75   5.892  -5.682   5.617
  571   1HD1  ILE  75          2HD1      ILE  75   3.324  -4.610   7.960
  572   2HD1  ILE  75          1HD1      ILE  75   2.816  -3.630   6.585
  573   3HD1  ILE  75          3HD1      ILE  75   1.607  -4.348   7.651
  574   1HG1  ILE  76          1HG1      ILE  76   4.999 -10.055   2.326
  575   2HG1  ILE  76          2HG1      ILE  76   3.960  -9.872   0.917
  576    H    ILE  76           H        ILE  76   4.046  -7.576   2.672
  577    HA   ILE  76           HA       ILE  76   6.844  -8.412   2.691
  578    HB   ILE  76           HB       ILE  76   5.045  -8.010   0.304
  579   1HG2  ILE  76          3HG2      ILE  76   7.544  -8.010  -0.012
  580   2HG2  ILE  76          2HG2      ILE  76   7.530  -9.688   0.532
  581   3HG2  ILE  76          1HG2      ILE  76   6.656  -9.228  -0.930
  582   1HD1  ILE  76          3HD1      ILE  76   6.661 -11.186   0.857
  583   2HD1  ILE  76          2HD1      ILE  76   5.133 -12.047   1.045
  584   3HD1  ILE  76          1HD1      ILE  76   5.459 -11.143  -0.434
  585   1HB   ASP  77          2HB       ASP  77   6.767  -3.129   2.958
  586   2HB   ASP  77          1HB       ASP  77   7.318  -4.149   4.281
  587    H    ASP  77           H        ASP  77   7.765  -6.461   3.429
  588    HA   ASP  77           HA       ASP  77   7.857  -4.353   1.375
  589   1HB   TYR  78          2HB       TYR  78  11.424  -4.598  -0.779
  590   2HB   TYR  78          1HB       TYR  78  13.026  -3.992  -0.374
  591    H    TYR  78           H        TYR  78   9.827  -4.031   0.594
  592    HA   TYR  78           HA       TYR  78  12.116  -5.182   1.980
  593    HD1  TYR  78           HD1      TYR  78  10.920  -7.053  -0.289
  594    HD2  TYR  78           HD2      TYR  78  14.860  -5.447  -0.274
  595    HE1  TYR  78           HE1      TYR  78  11.838  -9.319  -0.552
  596    HE2  TYR  78           HE2      TYR  78  15.789  -7.709  -0.539
  597    HH   TYR  78           HH       TYR  78  13.761 -10.560  -0.366
  598   1HA   GLY  79          2HA       GLY  79  12.963  -1.107   3.433
  599   2HA   GLY  79          1HA       GLY  79  11.292  -0.591   3.652
  600    H    GLY  79           H        GLY  79  10.619  -2.526   2.582
  601   1HG1  ILE  80          1HG1      ILE  80  11.558   3.032   3.480
  602   2HG1  ILE  80          2HG1      ILE  80  12.257   4.629   3.724
  603    H    ILE  80           H        ILE  80  12.327   1.532   3.123
  604    HA   ILE  80           HA       ILE  80  11.566   2.450   0.641
  605    HB   ILE  80           HB       ILE  80  13.790   3.665   2.270
  606   1HG2  ILE  80          3HG2      ILE  80  11.908   4.687   0.177
  607   2HG2  ILE  80          2HG2      ILE  80  12.639   5.781   1.351
  608   3HG2  ILE  80          1HG2      ILE  80  13.663   4.838   0.268
  609   1HD1  ILE  80          1HD1      ILE  80  10.713   5.543   2.060
  610   2HD1  ILE  80          3HD1      ILE  80   9.999   3.943   1.861
  611   3HD1  ILE  80          2HD1      ILE  80   9.870   4.780   3.408
  612   1HB   ARG  81          2HB       ARG  81  14.424   0.441  -3.568
  613   2HB   ARG  81          1HB       ARG  81  12.827   0.736  -2.893
  614   1HG   ARG  81          2HG       ARG  81  12.360   1.844  -4.751
  615   2HG   ARG  81          1HG       ARG  81  13.469   3.099  -4.196
  616   1HD   ARG  81          2HD       ARG  81  14.228   2.568  -6.343
  617   2HD   ARG  81          1HD       ARG  81  15.312   1.691  -5.263
  618   1HH1  ARG  81          2HH1      ARG  81  16.070   1.426  -7.274
  619   2HH1  ARG  81          1HH1      ARG  81  16.323   0.156  -8.424
  620   1HH2  ARG  81          1HH2      ARG  81  13.459  -1.631  -7.512
  621   2HH2  ARG  81          2HH2      ARG  81  14.837  -1.582  -8.559
  622    H    ARG  81           H        ARG  81  12.494   2.628  -1.332
  623    HA   ARG  81           HA       ARG  81  15.145   1.402  -1.658
  624    HE   ARG  81           HE       ARG  81  13.137   0.048  -6.002
  625   1HB   LEU  82          2HB       LEU  82  16.996   4.632  -2.419
  626   2HB   LEU  82          1HB       LEU  82  16.854   5.925  -3.591
  627    H    LEU  82           H        LEU  82  14.056   4.324  -1.164
  628    HA   LEU  82           HA       LEU  82  14.979   6.385  -1.482
  629    HG   LEU  82           HG       LEU  82  18.566   6.459  -1.965
  630   1HD1  LEU  82          3HD1      LEU  82  17.239   8.301  -2.869
  631   2HD1  LEU  82          2HD1      LEU  82  16.094   8.132  -1.538
  632   3HD1  LEU  82          1HD1      LEU  82  17.755   8.631  -1.215
  633   1HD2  LEU  82          2HD2      LEU  82  17.412   5.050  -0.153
  634   2HD2  LEU  82          1HD2      LEU  82  18.257   6.518   0.341
  635   3HD2  LEU  82          3HD2      LEU  82  16.498   6.516   0.202
  636   1HB   ASN  83          2HB       ASN  83  14.256   4.048  -6.384
  637   2HB   ASN  83          1HB       ASN  83  12.729   4.415  -7.182
  638   1HD2  ASN  83          1HD2      ASN  83  15.616   6.355  -6.497
  639   2HD2  ASN  83          2HD2      ASN  83  15.901   6.820  -8.136
  640    H    ASN  83           H        ASN  83  14.038   4.406  -4.168
  641    HA   ASN  83           HA       ASN  83  13.524   6.768  -5.824
  642   1HB   ARG  84          2HB       ARG  84   8.378   8.069  -3.481
  643   2HB   ARG  84          1HB       ARG  84  10.015   7.990  -2.846
  644   1HG   ARG  84          2HG       ARG  84   9.679   9.369  -5.434
  645   2HG   ARG  84          1HG       ARG  84   8.990  10.163  -4.017
  646   1HD   ARG  84          2HD       ARG  84  11.280   9.716  -2.925
  647   2HD   ARG  84          1HD       ARG  84  11.845   9.445  -4.573
  648   1HH1  ARG  84          2HH1      ARG  84  11.408  10.226  -6.373
  649   2HH1  ARG  84          1HH1      ARG  84  11.630  11.653  -7.328
  650   1HH2  ARG  84          1HH2      ARG  84  11.495  13.846  -4.609
  651   2HH2  ARG  84          2HH2      ARG  84  11.680  13.711  -6.327
  652    H    ARG  84           H        ARG  84  11.730   7.609  -4.743
  653    HA   ARG  84           HA       ARG  84   9.417   6.004  -4.197
  654    HE   ARG  84           HE       ARG  84  11.202  11.960  -3.359
  655   1HB   SER  85          2HB       SER  85  10.717   7.786  -8.854
  656   2HB   SER  85          1HB       SER  85  10.208   6.653 -10.105
  657    H    SER  85           H        SER  85  10.438   6.196  -7.000
  658    HA   SER  85           HA       SER  85   8.033   7.307  -8.285
  659    HG   SER  85           HG       SER  85   9.866   8.967 -10.534
  660   1HB   GLU  86          2HB       GLU  86   8.226   2.165  -6.484
  661   2HB   GLU  86          1HB       GLU  86   8.679   0.962  -7.681
  662   1HG   GLU  86          2HG       GLU  86  10.696   3.027  -7.315
  663   2HG   GLU  86          1HG       GLU  86  10.351   2.112  -5.848
  664    H    GLU  86           H        GLU  86   9.194   4.467  -7.224
  665    HA   GLU  86           HA       GLU  86   9.008   2.688  -9.356
  666   1HB   ARG  87          2HB       ARG  87   5.345  -0.196 -11.134
  667   2HB   ARG  87          1HB       ARG  87   4.091   0.974 -11.512
  668   1HG   ARG  87          2HG       ARG  87   5.488   1.725 -13.069
  669   2HG   ARG  87          1HG       ARG  87   6.382   2.462 -11.738
  670   1HD   ARG  87          2HD       ARG  87   7.919   1.221 -13.101
  671   2HD   ARG  87          1HD       ARG  87   7.728   0.385 -11.560
  672   1HH1  ARG  87          2HH1      ARG  87   7.855   1.078 -14.805
  673   2HH1  ARG  87          1HH1      ARG  87   7.696   0.085 -16.215
  674   1HH2  ARG  87          2HH2      ARG  87   6.229  -2.597 -14.517
  675   2HH2  ARG  87          1HH2      ARG  87   6.771  -2.005 -16.051
  676    H    ARG  87           H        ARG  87   7.276   1.020  -9.634
  677    HA   ARG  87           HA       ARG  87   4.663   2.348  -9.692
  678    HE   ARG  87           HE       ARG  87   6.443  -1.281 -12.666
  679   1HB   TRP  88          2HB       TRP  88   4.062   1.377  -5.379
  680   2HB   TRP  88          1HB       TRP  88   3.127   0.051  -4.702
  681    H    TRP  88           H        TRP  88   3.591   1.917  -7.867
  682    HA   TRP  88           HA       TRP  88   3.218  -0.904  -7.136
  683    HD1  TRP  88           HD1      TRP  88   6.529   1.080  -4.939
  684    HE1  TRP  88           HE1      TRP  88   8.167  -0.896  -4.752
  685    HE3  TRP  88           HE3      TRP  88   3.263  -2.752  -5.795
  686    HZ2  TRP  88           HZ2      TRP  88   8.076  -3.717  -4.931
  687    HZ3  TRP  88           HZ3      TRP  88   4.118  -5.058  -5.770
  688    HH2  TRP  88           HH2      TRP  88   6.475  -5.529  -5.349
  689   1HB   ASP  89          2HB       ASP  89  -0.354  -1.277  -4.227
  690   2HB   ASP  89          1HB       ASP  89  -1.853  -0.354  -4.141
  691    H    ASP  89           H        ASP  89   1.671  -0.043  -4.796
  692    HA   ASP  89           HA       ASP  89  -0.736   0.975  -6.152
  693    H    ALA  90           H        ALA  90  -2.116   0.980  -3.500
  694    HA   ALA  90           HA       ALA  90  -0.665   2.756  -1.802
  695   1HB   ALA  90          2HB       ALA  90  -1.009   4.507  -3.248
  696   2HB   ALA  90          3HB       ALA  90  -2.422   4.641  -2.200
  697   3HB   ALA  90          1HB       ALA  90  -2.572   3.894  -3.791
  698   1HB   TYR  91          2HB       TYR  91  -1.597   1.319   2.287
  699   2HB   TYR  91          1HB       TYR  91  -3.167   0.813   2.900
  700    H    TYR  91           H        TYR  91  -1.355   2.273   0.153
  701    HA   TYR  91           HA       TYR  91  -4.035   1.182   0.519
  702    HD1  TYR  91           HD1      TYR  91  -4.329  -1.067   1.332
  703    HD2  TYR  91           HD2      TYR  91  -0.145  -0.349   1.677
  704    HE1  TYR  91           HE1      TYR  91  -3.876  -3.365   0.584
  705    HE2  TYR  91           HE2      TYR  91   0.317  -2.643   0.927
  706    HH   TYR  91           HH       TYR  91  -0.963  -4.404  -0.508
  707   1HB   CYS  92          2HB       CYS  92  -7.005   4.271   0.146
  708   2HB   CYS  92          1HB       CYS  92  -7.381   5.614   1.218
  709    H    CYS  92           H        CYS  92  -5.030   3.270   0.076
  710    HA   CYS  92           HA       CYS  92  -4.695   5.631   1.398
  711   1HB   TYR  93          2HB       TYR  93  -4.664   4.994   5.510
  712   2HB   TYR  93          1HB       TYR  93  -4.915   6.683   5.945
  713    H    TYR  93           H        TYR  93  -6.079   6.635   3.082
  714    HA   TYR  93           HA       TYR  93  -7.196   4.903   5.100
  715    HD1  TYR  93           HD1      TYR  93  -7.404   6.628   7.453
  716    HD2  TYR  93           HD2      TYR  93  -4.171   3.863   7.476
  717    HE1  TYR  93           HE1      TYR  93  -8.001   5.960   9.742
  718    HE2  TYR  93           HE2      TYR  93  -4.760   3.184   9.765
  719    HH   TYR  93           HH       TYR  93  -7.569   3.658  11.159
  720   1HB   ASN  94          2HB       ASN  94  -8.946   9.171   4.352
  721   2HB   ASN  94          1HB       ASN  94 -10.248   8.046   3.979
  722   1HD2  ASN  94          1HD2      ASN  94 -11.101  10.066   3.009
  723   2HD2  ASN  94          2HD2      ASN  94 -12.058  11.092   4.019
  724    H    ASN  94           H        ASN  94  -8.967   5.896   5.773
  725    HA   ASN  94           HA       ASN  94  -9.018   8.568   6.690
  726   1HB   PRO  95          2HB       PRO  95 -12.780   8.018  10.603
  727   2HB   PRO  95          1HB       PRO  95 -11.485   6.816  10.662
  728   1HG   PRO  95          2HG       PRO  95 -11.358   9.707   9.905
  729   2HG   PRO  95          1HG       PRO  95 -10.228   8.756  10.885
  730   1HD   PRO  95          2HD       PRO  95  -9.746   9.362   8.298
  731   2HD   PRO  95          1HD       PRO  95  -9.196   7.844   9.036
  732    HA   PRO  95           HA       PRO  95 -12.314   6.196   8.620
  733   1HB   HIS  96          2HB       HIS  96 -13.279  11.250   7.097
  734   2HB   HIS  96          1HB       HIS  96 -14.635  11.568   6.021
  735    H    HIS  96           H        HIS  96 -12.421   8.942   6.787
  736    HA   HIS  96           HA       HIS  96 -15.342   9.155   7.088
  737    HD1  HIS  96           HD1      HIS  96 -16.629  12.595   7.078
  738    HD2  HIS  96           HD2      HIS  96 -14.201  10.686   9.858
  739    HE1  HIS  96           HE1      HIS  96 -17.647  13.101   9.321
  740    HE2  HIS  96           HE2      HIS  96 -16.206  11.871  10.981
  741    H    ALA  97           H        ALA  97 -13.094   7.918   5.194
  742    HA   ALA  97           HA       ALA  97 -13.967   8.955   2.631
  743   1HB   ALA  97          2HB       ALA  97 -11.705   7.489   3.608
  744   2HB   ALA  97          3HB       ALA  97 -11.913   8.326   2.070
  745   3HB   ALA  97          1HB       ALA  97 -12.420   6.645   2.235
  746   1HB   LYS  98          2HB       LYS  98 -16.836   5.932   5.057
  747   2HB   LYS  98          1HB       LYS  98 -18.497   5.778   4.499
  748   1HG   LYS  98          2HG       LYS  98 -18.233   3.623   3.867
  749   2HG   LYS  98          1HG       LYS  98 -16.548   3.852   3.395
  750   1HD   LYS  98          2HD       LYS  98 -15.758   3.434   5.490
  751   2HD   LYS  98          1HD       LYS  98 -17.196   4.084   6.279
  752   1HE   LYS  98          2HE       LYS  98 -18.098   2.061   6.457
  753   2HE   LYS  98          1HE       LYS  98 -17.857   1.745   4.739
  754    H    LYS  98           H        LYS  98 -16.209   8.110   3.664
  755    HA   LYS  98           HA       LYS  98 -16.765   5.607   2.233
  756   1HZ   LYS  98          2HZ       LYS  98 -15.402   1.380   5.534
  757   2HZ   LYS  98          1HZ       LYS  98 -16.152   1.045   7.013
  758   3HZ   LYS  98          3HZ       LYS  98 -16.545   0.138   5.639

  No H/Q in entry =         758
  Start of MODEL   13
    1   1HA   GLY   1          2HA       GLY   1 -10.471   2.014   8.122
    2   2HA   GLY   1          1HA       GLY   1  -9.148   2.652   9.086
    3    H1   GLY   1          3H        GLY   1 -11.101   4.331   7.610
    4    H2   GLY   1          2H        GLY   1 -11.205   3.963   9.258
    5    H3   GLY   1          1H        GLY   1  -9.904   4.872   8.676
    6    H    VAL   2           H        VAL   2  -7.646   1.564   7.754
    7    HA   VAL   2           HA       VAL   2  -6.848   3.121   5.456
    8    HB   VAL   2           HB       VAL   2  -4.988   2.533   6.685
    9   1HG1  VAL   2          1HG1      VAL   2  -6.510   0.069   7.266
   10   2HG1  VAL   2          3HG1      VAL   2  -4.752  -0.075   7.255
   11   3HG1  VAL   2          2HG1      VAL   2  -5.536   1.081   8.332
   12   1HG2  VAL   2          2HG2      VAL   2  -5.193   1.481   4.167
   13   2HG2  VAL   2          1HG2      VAL   2  -3.707   1.575   5.115
   14   3HG2  VAL   2          3HG2      VAL   2  -4.659   0.089   5.111
   15   1HB   TYR   3          2HB       TYR   3  -9.416   0.979   0.871
   16   2HB   TYR   3          1HB       TYR   3 -10.031   1.094   2.511
   17    H    TYR   3           H        TYR   3  -7.209   2.645   3.394
   18    HA   TYR   3           HA       TYR   3  -8.018  -0.098   2.715
   19    HD1  TYR   3           HD1      TYR   3  -8.728   3.347   3.692
   20    HD2  TYR   3           HD2      TYR   3  -9.990   2.838  -0.337
   21    HE1  TYR   3           HE1      TYR   3  -8.908   5.788   3.446
   22    HE2  TYR   3           HE2      TYR   3 -10.168   5.276  -0.597
   23    HH   TYR   3           HH       TYR   3  -8.792   7.402   1.016
   24   1HB   HIS   4          2HB       HIS   4  -5.068  -1.762   0.203
   25   2HB   HIS   4          1HB       HIS   4  -6.165  -2.182  -1.098
   26    H    HIS   4           H        HIS   4  -7.639  -0.684   0.471
   27    HA   HIS   4           HA       HIS   4  -5.208   0.620  -0.542
   28    HD1  HIS   4           HD1      HIS   4  -2.632  -1.214  -0.431
   29    HD2  HIS   4           HD2      HIS   4  -5.052  -2.099  -3.688
   30    HE1  HIS   4           HE1      HIS   4  -1.061  -1.550  -2.362
   31    HE2  HIS   4           HE2      HIS   4  -2.541  -2.210  -4.290
   32   1HB   ARG   5          2HB       ARG   5  -6.417   3.567  -3.722
   33   2HB   ARG   5          1HB       ARG   5  -7.524   3.144  -5.019
   34   1HG   ARG   5          2HG       ARG   5  -8.166   2.172  -2.292
   35   2HG   ARG   5          1HG       ARG   5  -8.368   3.893  -2.627
   36   1HD   ARG   5          2HD       ARG   5  -9.494   2.652  -4.827
   37   2HD   ARG   5          1HD       ARG   5  -9.977   1.630  -3.474
   38   1HH1  ARG   5          2HH1      ARG   5 -11.504   1.260  -2.940
   39   2HH1  ARG   5          1HH1      ARG   5 -13.060   1.719  -2.333
   40   1HH2  ARG   5          1HH2      ARG   5 -12.525   5.151  -2.729
   41   2HH2  ARG   5          2HH2      ARG   5 -13.641   3.930  -2.214
   42    H    ARG   5           H        ARG   5  -5.116   1.397  -2.562
   43    HA   ARG   5           HA       ARG   5  -7.251   0.755  -4.455
   44    HE   ARG   5           HE       ARG   5 -10.478   4.536  -3.528
   45   1HB   GLU   6          2HB       GLU   6  -4.292   0.309  -9.219
   46   2HB   GLU   6          1HB       GLU   6  -5.423  -0.430  -8.096
   47   1HG   GLU   6          2HG       GLU   6  -6.133   1.881  -9.879
   48   2HG   GLU   6          1HG       GLU   6  -6.370   0.191 -10.325
   49    H    GLU   6           H        GLU   6  -6.732   1.491  -6.671
   50    HA   GLU   6           HA       GLU   6  -3.835   1.312  -7.136
   51    H    ALA   7           H        ALA   7  -3.658   2.189  -9.698
   52    HA   ALA   7           HA       ALA   7  -3.815   5.044  -9.338
   53   1HB   ALA   7          2HB       ALA   7  -2.109   5.076 -10.762
   54   2HB   ALA   7          1HB       ALA   7  -2.179   3.315 -10.794
   55   3HB   ALA   7          3HB       ALA   7  -3.056   4.254 -12.002
   56   1HB   ARG   8          2HB       ARG   8  -5.847   8.159 -11.570
   57   2HB   ARG   8          1HB       ARG   8  -7.074   8.033 -12.822
   58   1HG   ARG   8          2HG       ARG   8  -7.832   7.827  -9.939
   59   2HG   ARG   8          1HG       ARG   8  -7.572   9.401 -10.690
   60   1HD   ARG   8          2HD       ARG   8  -9.514   7.293 -11.628
   61   2HD   ARG   8          1HD       ARG   8  -9.930   8.761 -10.745
   62   1HH1  ARG   8          2HH1      ARG   8 -10.521   6.854 -12.928
   63   2HH1  ARG   8          1HH1      ARG   8 -11.019   7.058 -14.574
   64   1HH2  ARG   8          2HH2      ARG   8  -9.558  10.214 -14.930
   65   2HH2  ARG   8          1HH2      ARG   8 -10.471   8.967 -15.712
   66    H    ARG   8           H        ARG   8  -5.008   6.504 -10.552
   67    HA   ARG   8           HA       ARG   8  -7.615   5.866 -11.193
   68    HE   ARG   8           HE       ARG   8  -8.908   9.936 -12.761
   69   1HB   SER   9          2HB       SER   9  -3.763   6.054 -15.126
   70   2HB   SER   9          1HB       SER   9  -3.363   4.364 -15.431
   71    H    SER   9           H        SER   9  -4.758   5.438 -13.081
   72    HA   SER   9           HA       SER   9  -6.238   5.078 -15.559
   73    HG   SER   9           HG       SER   9  -3.533   5.914 -17.294
   74   1HA   GLY  10          2HA       GLY  10  -4.227   0.728 -14.682
   75   2HA   GLY  10          1HA       GLY  10  -5.763   0.804 -13.833
   76    H    GLY  10           H        GLY  10  -4.184   3.151 -13.401
   77   1HB   LYS  11          2HB       LYS  11  -5.079  -2.319 -10.674
   78   2HB   LYS  11          1HB       LYS  11  -3.892  -3.201 -11.627
   79   1HG   LYS  11          2HG       LYS  11  -2.931  -4.025  -9.808
   80   2HG   LYS  11          1HG       LYS  11  -2.795  -2.425  -9.077
   81   1HD   LYS  11          2HD       LYS  11  -4.676  -2.680  -7.850
   82   2HD   LYS  11          1HD       LYS  11  -5.503  -3.589  -9.116
   83   1HE   LYS  11          2HE       LYS  11  -4.602  -5.603  -8.445
   84   2HE   LYS  11          1HE       LYS  11  -3.216  -4.843  -7.666
   85    H    LYS  11           H        LYS  11  -4.351  -1.214 -13.051
   86    HA   LYS  11           HA       LYS  11  -3.469  -0.479 -10.380
   87   1HZ   LYS  11          3HZ       LYS  11  -5.986  -4.598  -6.641
   88   2HZ   LYS  11          2HZ       LYS  11  -4.913  -5.800  -6.128
   89   3HZ   LYS  11          1HZ       LYS  11  -4.551  -4.171  -5.852
   90   1HB   TYR  12          2HB       TYR  12  -0.155  -3.438 -11.495
   91   2HB   TYR  12          1HB       TYR  12   1.572  -3.116 -11.391
   92    H    TYR  12           H        TYR  12  -1.516  -1.326  -9.450
   93    HA   TYR  12           HA       TYR  12   0.752  -1.518  -9.411
   94    HD1  TYR  12           HD1      TYR  12   0.633  -2.604  -8.169
   95    HD2  TYR  12           HD2      TYR  12   0.900  -5.796 -10.972
   96    HE1  TYR  12           HE1      TYR  12   0.827  -4.207  -6.314
   97    HE2  TYR  12           HE2      TYR  12   1.089  -7.408  -9.125
   98    HH   TYR  12           HH       TYR  12   1.876  -6.628  -6.077
   99   1HB   LYS  13          2HB       LYS  13   1.230   2.636 -13.621
  100   2HB   LYS  13          1HB       LYS  13   1.239   0.882 -13.733
  101   1HG   LYS  13          2HG       LYS  13  -0.883   1.124 -12.183
  102   2HG   LYS  13          1HG       LYS  13  -0.941   2.725 -12.922
  103   1HD   LYS  13          2HD       LYS  13  -0.542   0.380 -14.702
  104   2HD   LYS  13          1HD       LYS  13  -2.148   0.637 -14.017
  105   1HE   LYS  13          2HE       LYS  13  -2.544   2.148 -15.593
  106   2HE   LYS  13          1HE       LYS  13  -1.253   3.145 -14.924
  107    H    LYS  13           H        LYS  13   0.629   0.827 -10.094
  108    HA   LYS  13           HA       LYS  13   2.665   1.394 -11.923
  109   1HZ   LYS  13          3HZ       LYS  13   0.016   1.216 -16.413
  110   2HZ   LYS  13          2HZ       LYS  13  -1.308   1.679 -17.357
  111   3HZ   LYS  13          1HZ       LYS  13  -0.197   2.841 -16.834
  112   1HB   LEU  14          2HB       LEU  14   0.593   2.967  -7.535
  113   2HB   LEU  14          1HB       LEU  14   0.949   4.585  -6.968
  114    H    LEU  14           H        LEU  14   1.855   2.113  -9.296
  115    HA   LEU  14           HA       LEU  14   1.296   4.988  -9.588
  116    HG   LEU  14           HG       LEU  14  -1.209   3.801  -8.924
  117   1HD1  LEU  14          1HD1      LEU  14  -1.112   3.927  -6.088
  118   2HD1  LEU  14          3HD1      LEU  14  -2.146   5.234  -6.666
  119   3HD1  LEU  14          2HD1      LEU  14  -2.490   3.567  -7.130
  120   1HD2  LEU  14          2HD2      LEU  14   0.163   6.215  -8.815
  121   2HD2  LEU  14          1HD2      LEU  14  -1.402   5.921  -9.571
  122   3HD2  LEU  14          3HD2      LEU  14  -1.322   6.504  -7.909
  123    H    THR  15           H        THR  15   2.490   6.479  -8.352
  124    HA   THR  15           HA       THR  15   5.143   5.494  -7.540
  125    HB   THR  15           HB       THR  15   5.983   7.754  -7.920
  126    HG1  THR  15           HG1      THR  15   4.443   9.241  -8.998
  127   1HG2  THR  15          2HG2      THR  15   4.504   6.382 -10.129
  128   2HG2  THR  15          1HG2      THR  15   5.312   7.918 -10.440
  129   3HG2  THR  15          3HG2      THR  15   6.241   6.533  -9.867
  130   1HB   TYR  16          2HB       TYR  16   6.973   7.673  -3.634
  131   2HB   TYR  16          1HB       TYR  16   6.797   9.255  -4.390
  132    H    TYR  16           H        TYR  16   5.863   7.896  -6.162
  133    HA   TYR  16           HA       TYR  16   4.573   7.350  -3.634
  134    HD1  TYR  16           HD1      TYR  16   5.340   7.523  -1.403
  135    HD2  TYR  16           HD2      TYR  16   7.207  11.013  -2.970
  136    HE1  TYR  16           HE1      TYR  16   5.247   8.564   0.820
  137    HE2  TYR  16           HE2      TYR  16   7.115  12.064  -0.749
  138    HH   TYR  16           HH       TYR  16   6.980  11.336   1.630
  139    H    ALA  17           H        ALA  17   5.137  10.272  -5.588
  140    HA   ALA  17           HA       ALA  17   3.380  11.915  -4.098
  141   1HB   ALA  17          2HB       ALA  17   5.231  12.722  -5.564
  142   2HB   ALA  17          1HB       ALA  17   4.238  12.299  -6.960
  143   3HB   ALA  17          3HB       ALA  17   3.688  13.538  -5.830
  144   1HB   GLU  18          2HB       GLU  18   1.900   8.194  -8.158
  145   2HB   GLU  18          1HB       GLU  18   0.254   8.432  -8.731
  146   1HG   GLU  18          2HG       GLU  18   0.867  10.198 -10.124
  147   2HG   GLU  18          1HG       GLU  18   2.405  10.436  -9.296
  148    H    GLU  18           H        GLU  18   2.944   9.748  -6.792
  149    HA   GLU  18           HA       GLU  18   0.362  10.714  -7.556
  150    H    ALA  19           H        ALA  19   1.526   7.960  -5.655
  151    HA   ALA  19           HA       ALA  19  -0.907   6.762  -5.074
  152   1HB   ALA  19          3HB       ALA  19   0.637   5.382  -4.242
  153   2HB   ALA  19          1HB       ALA  19   0.577   6.379  -2.788
  154   3HB   ALA  19          2HB       ALA  19   1.801   6.689  -4.020
  155   1HB   LYS  20          2HB       LYS  20   1.318  10.695  -1.639
  156   2HB   LYS  20          1HB       LYS  20   0.454  11.979  -2.469
  157   1HG   LYS  20          2HG       LYS  20  -0.875  12.353  -0.414
  158   2HG   LYS  20          1HG       LYS  20   0.118  11.145   0.404
  159   1HD   LYS  20          2HD       LYS  20   1.213  13.069   1.008
  160   2HD   LYS  20          1HD       LYS  20   2.093  12.642  -0.462
  161   1HE   LYS  20          2HE       LYS  20   1.621  14.954  -0.617
  162   2HE   LYS  20          1HE       LYS  20   0.503  14.145  -1.712
  163    H    LYS  20           H        LYS  20   0.740   9.424  -3.438
  164    HA   LYS  20           HA       LYS  20  -1.015   9.655  -1.267
  165   1HZ   LYS  20          3HZ       LYS  20  -0.182  15.005   1.045
  166   2HZ   LYS  20          2HZ       LYS  20  -0.551  15.885  -0.351
  167   3HZ   LYS  20          1HZ       LYS  20  -1.242  14.361  -0.105
  168    H    ALA  21           H        ALA  21  -0.858  11.427  -4.341
  169    HA   ALA  21           HA       ALA  21  -3.107  13.058  -3.892
  170   1HB   ALA  21          2HB       ALA  21  -2.427  13.960  -5.805
  171   2HB   ALA  21          1HB       ALA  21  -1.230  12.674  -5.957
  172   3HB   ALA  21          3HB       ALA  21  -2.826  12.484  -6.683
  173    H    VAL  22           H        VAL  22  -2.783   9.955  -5.591
  174    HA   VAL  22           HA       VAL  22  -5.384   9.642  -6.482
  175    HB   VAL  22           HB       VAL  22  -3.149   7.824  -5.839
  176   1HG1  VAL  22          3HG1      VAL  22  -4.938   6.729  -4.621
  177   2HG1  VAL  22          2HG1      VAL  22  -5.974   6.802  -6.045
  178   3HG1  VAL  22          1HG1      VAL  22  -4.518   5.806  -6.065
  179   1HG2  VAL  22          1HG2      VAL  22  -3.501   8.739  -8.072
  180   2HG2  VAL  22          3HG2      VAL  22  -3.642   6.980  -8.074
  181   3HG2  VAL  22          2HG2      VAL  22  -5.094   7.980  -8.138
  182   1HB   CYS  23          2HB       CYS  23  -3.663   8.897  -1.219
  183   2HB   CYS  23          1HB       CYS  23  -4.952   8.763  -0.029
  184    H    CYS  23           H        CYS  23  -3.974   9.034  -3.330
  185    HA   CYS  23           HA       CYS  23  -6.242   7.776  -2.173
  186   1HB   GLU  24          2HB       GLU  24  -4.513  12.981  -1.225
  187   2HB   GLU  24          1HB       GLU  24  -5.737  14.097  -1.810
  188   1HG   GLU  24          2HG       GLU  24  -6.526  14.292   0.578
  189   2HG   GLU  24          1HG       GLU  24  -5.066  13.414   1.036
  190    H    GLU  24           H        GLU  24  -4.853  11.000  -1.644
  191    HA   GLU  24           HA       GLU  24  -6.958  12.068  -0.169
  192   1HB   PHE  25          2HB       PHE  25  -7.137  12.353  -5.852
  193   2HB   PHE  25          1HB       PHE  25  -7.769  10.717  -5.712
  194    H    PHE  25           H        PHE  25  -6.925  11.182  -3.417
  195    HA   PHE  25           HA       PHE  25  -8.865  13.153  -4.291
  196    HD1  PHE  25           HD1      PHE  25  -8.480  14.104  -6.966
  197    HD2  PHE  25           HD2      PHE  25  -9.683  10.021  -6.926
  198    HE1  PHE  25           HE1      PHE  25 -10.034  14.548  -8.822
  199    HE2  PHE  25           HE2      PHE  25 -11.237  10.458  -8.783
  200    HZ   PHE  25           HZ       PHE  25 -11.414  12.723  -9.733
  201   1HB   GLU  26          2HB       GLU  26  -9.373   7.667  -2.990
  202   2HB   GLU  26          1HB       GLU  26 -11.034   7.155  -2.730
  203   1HG   GLU  26          2HG       GLU  26 -10.827   8.135  -5.381
  204   2HG   GLU  26          1HG       GLU  26  -9.487   7.025  -5.099
  205    H    GLU  26           H        GLU  26  -8.788   9.855  -3.162
  206    HA   GLU  26           HA       GLU  26 -11.610   9.472  -3.818
  207   1HA   GLY  27          1HA       GLY  27 -12.110  10.375   0.504
  208   2HA   GLY  27          2HA       GLY  27 -10.989  11.728   0.553
  209    H    GLY  27           H        GLY  27  -9.954  10.894  -1.408
  210   1HA   GLY  28          2HA       GLY  28  -8.077   8.510   2.153
  211   2HA   GLY  28          1HA       GLY  28  -8.303   9.816   3.311
  212    H    GLY  28           H        GLY  28  -8.606  10.908   0.759
  213   1HB   HIS  29          2HB       HIS  29  -2.749  10.751   3.637
  214   2HB   HIS  29          1HB       HIS  29  -4.208  11.667   3.281
  215    H    HIS  29           H        HIS  29  -5.898   8.568   3.243
  216    HA   HIS  29           HA       HIS  29  -4.085  10.079   1.553
  217    HD1  HIS  29           HD1      HIS  29  -5.955  11.768   5.069
  218    HD2  HIS  29           HD2      HIS  29  -3.098   8.841   5.799
  219    HE1  HIS  29           HE1      HIS  29  -6.438  10.921   7.387
  220    HE2  HIS  29           HE2      HIS  29  -4.750   9.091   7.774
  221   1HB   LEU  30          2HB       LEU  30   0.540   8.798   2.513
  222   2HB   LEU  30          1HB       LEU  30   0.956   7.124   2.220
  223    H    LEU  30           H        LEU  30  -1.740   9.452   2.117
  224    HA   LEU  30           HA       LEU  30  -1.494   6.659   1.888
  225    HG   LEU  30           HG       LEU  30  -0.220   9.088   0.261
  226   1HD1  LEU  30          3HD1      LEU  30   2.262   9.067   0.743
  227   2HD1  LEU  30          2HD1      LEU  30   2.293   7.449   0.044
  228   3HD1  LEU  30          1HD1      LEU  30   1.795   8.826  -0.941
  229   1HD2  LEU  30          1HD2      LEU  30  -0.785   6.360   0.366
  230   2HD2  LEU  30          3HD2      LEU  30  -1.033   7.452  -0.997
  231   3HD2  LEU  30          2HD2      LEU  30   0.464   6.529  -0.868
  232    H    ALA  31           H        ALA  31  -2.000   5.303   3.494
  233    HA   ALA  31           HA       ALA  31  -2.034   5.917   6.223
  234   1HB   ALA  31          2HB       ALA  31  -2.162   3.413   4.640
  235   2HB   ALA  31          1HB       ALA  31  -1.834   3.285   6.368
  236   3HB   ALA  31          3HB       ALA  31  -3.305   4.077   5.806
  237    H    THR  32           H        THR  32  -0.734   3.880   7.527
  238    HA   THR  32           HA       THR  32   2.115   4.356   6.973
  239    HB   THR  32           HB       THR  32   2.554   5.241   8.980
  240    HG1  THR  32           HG1      THR  32   0.975   4.291  10.809
  241   1HG2  THR  32          2HG2      THR  32   0.090   6.099   8.191
  242   2HG2  THR  32          1HG2      THR  32  -0.231   5.563   9.840
  243   3HG2  THR  32          3HG2      THR  32   1.009   6.779   9.534
  244   1HB   TYR  33          2HB       TYR  33   5.204   1.244   7.888
  245   2HB   TYR  33          1HB       TYR  33   4.874   0.844   9.567
  246    H    TYR  33           H        TYR  33   3.558   2.773   7.939
  247    HA   TYR  33           HA       TYR  33   2.905   0.153   7.404
  248    HD1  TYR  33           HD1      TYR  33   5.498  -0.561   6.219
  249    HD2  TYR  33           HD2      TYR  33   5.029  -1.404  10.363
  250    HE1  TYR  33           HE1      TYR  33   6.369  -2.830   5.850
  251    HE2  TYR  33           HE2      TYR  33   5.898  -3.676  10.005
  252    HH   TYR  33           HH       TYR  33   7.577  -4.714   8.023
  253   1HB   LYS  34          2HB       LYS  34   2.244   2.500  12.423
  254   2HB   LYS  34          1HB       LYS  34   0.970   1.747  13.369
  255   1HG   LYS  34          2HG       LYS  34   3.323   0.215  13.731
  256   2HG   LYS  34          1HG       LYS  34   3.741   1.917  13.938
  257   1HD   LYS  34          2HD       LYS  34   1.955   2.178  15.571
  258   2HD   LYS  34          1HD       LYS  34   1.480   0.494  15.340
  259   1HE   LYS  34          2HE       LYS  34   2.827   0.076  17.079
  260   2HE   LYS  34          1HE       LYS  34   4.136   0.255  15.911
  261    H    LYS  34           H        LYS  34   2.955   1.746  10.575
  262    HA   LYS  34           HA       LYS  34   2.157  -0.412  12.131
  263   1HZ   LYS  34          2HZ       LYS  34   3.932   2.746  16.542
  264   2HZ   LYS  34          1HZ       LYS  34   3.192   2.156  17.943
  265   3HZ   LYS  34          3HZ       LYS  34   4.774   1.691  17.560
  266   1HB   GLN  35          2HB       GLN  35  -1.616   2.545   8.823
  267   2HB   GLN  35          1HB       GLN  35  -3.231   2.395   9.492
  268   1HG   GLN  35          2HG       GLN  35  -2.512   3.662  11.469
  269   2HG   GLN  35          1HG       GLN  35  -0.918   3.853  10.743
  270   1HE2  GLN  35          1HE2      GLN  35  -2.962   5.830  11.533
  271   2HE2  GLN  35          2HE2      GLN  35  -3.259   6.774  10.117
  272    H    GLN  35           H        GLN  35   0.167   2.056  10.527
  273    HA   GLN  35           HA       GLN  35  -2.323   1.130  11.400
  274   1HB   LEU  36          2HB       LEU  36   0.636  -0.871   7.164
  275   2HB   LEU  36          1HB       LEU  36   0.373  -2.595   7.002
  276    H    LEU  36           H        LEU  36  -0.270   0.152   8.722
  277    HA   LEU  36           HA       LEU  36  -2.176  -1.440   7.372
  278    HG   LEU  36           HG       LEU  36   0.355  -1.676   4.810
  279   1HD1  LEU  36          2HD1      LEU  36  -1.659  -3.192   5.743
  280   2HD1  LEU  36          1HD1      LEU  36  -2.572  -1.809   5.138
  281   3HD1  LEU  36          3HD1      LEU  36  -1.504  -2.704   4.056
  282   1HD2  LEU  36          2HD2      LEU  36  -0.820   0.577   6.105
  283   2HD2  LEU  36          1HD2      LEU  36  -0.161   0.452   4.474
  284   3HD2  LEU  36          3HD2      LEU  36  -1.857   0.073   4.771
  285   1HB   GLU  37          2HB       GLU  37   1.373  -3.480  11.479
  286   2HB   GLU  37          1HB       GLU  37   0.089  -2.856  12.499
  287   1HG   GLU  37          2HG       GLU  37  -0.405  -5.358  12.963
  288   2HG   GLU  37          1HG       GLU  37   1.243  -5.603  12.387
  289    H    GLU  37           H        GLU  37  -0.116  -1.983  10.123
  290    HA   GLU  37           HA       GLU  37  -0.306  -4.807  10.223
  291    H    ALA  38           H        ALA  38  -1.952  -2.297  12.111
  292    HA   ALA  38           HA       ALA  38  -3.752  -3.870  13.490
  293   1HB   ALA  38          1HB       ALA  38  -3.402  -1.444  13.857
  294   2HB   ALA  38          2HB       ALA  38  -5.106  -1.887  13.756
  295   3HB   ALA  38          3HB       ALA  38  -4.312  -1.121  12.380
  296    H    ALA  39           H        ALA  39  -3.770  -2.836  10.177
  297    HA   ALA  39           HA       ALA  39  -6.492  -3.668   9.673
  298   1HB   ALA  39          3HB       ALA  39  -4.339  -2.976   7.680
  299   2HB   ALA  39          1HB       ALA  39  -5.398  -1.795   8.451
  300   3HB   ALA  39          2HB       ALA  39  -6.079  -3.032   7.394
  301   1HB   ARG  40          2HB       ARG  40  -1.605  -6.275   8.172
  302   2HB   ARG  40          1HB       ARG  40  -1.701  -7.070   9.738
  303   1HG   ARG  40          2HG       ARG  40  -2.385  -9.018   7.841
  304   2HG   ARG  40          1HG       ARG  40  -0.990  -8.159   7.187
  305   1HD   ARG  40          2HD       ARG  40  -0.941  -8.973  10.048
  306   2HD   ARG  40          1HD       ARG  40  -0.709 -10.214   8.819
  307   1HH1  ARG  40          1HH1      ARG  40   0.147  -8.808  11.321
  308   2HH1  ARG  40          2HH1      ARG  40   1.695  -8.320  11.930
  309   1HH2  ARG  40          1HH2      ARG  40   3.179  -8.059   8.775
  310   2HH2  ARG  40          2HH2      ARG  40   3.417  -7.896  10.483
  311    H    ARG  40           H        ARG  40  -3.277  -4.986   9.389
  312    HA   ARG  40           HA       ARG  40  -3.921  -7.171   7.694
  313    HE   ARG  40           HE       ARG  40   1.139  -8.702   7.983
  314   1HB   LYS  41          2HB       LYS  41  -4.628  -8.578  14.066
  315   2HB   LYS  41          1HB       LYS  41  -3.691  -7.288  13.326
  316   1HG   LYS  41          2HG       LYS  41  -5.490  -5.840  13.254
  317   2HG   LYS  41          1HG       LYS  41  -6.672  -7.145  13.367
  318   1HD   LYS  41          2HD       LYS  41  -4.983  -7.170  15.683
  319   2HD   LYS  41          1HD       LYS  41  -5.651  -5.553  15.452
  320   1HE   LYS  41          2HE       LYS  41  -7.124  -6.877  16.851
  321   2HE   LYS  41          1HE       LYS  41  -7.904  -6.517  15.310
  322    H    LYS  41           H        LYS  41  -3.979  -6.679  11.164
  323    HA   LYS  41           HA       LYS  41  -4.360  -9.364  11.908
  324   1HZ   LYS  41          2HZ       LYS  41  -6.645  -8.882  14.860
  325   2HZ   LYS  41          1HZ       LYS  41  -7.202  -9.050  16.447
  326   3HZ   LYS  41          3HZ       LYS  41  -8.289  -8.691  15.203
  327   1HG1  ILE  42          2HG1      ILE  42  -8.630  -4.885   9.093
  328   2HG1  ILE  42          1HG1      ILE  42  -8.023  -6.477   8.651
  329    H    ILE  42           H        ILE  42  -6.490  -6.930  10.691
  330    HA   ILE  42           HA       ILE  42  -8.896  -8.277  11.580
  331    HB   ILE  42           HB       ILE  42 -10.117  -6.502  10.722
  332   1HG2  ILE  42          1HG2      ILE  42  -7.414  -5.591  11.617
  333   2HG2  ILE  42          3HG2      ILE  42  -8.639  -4.414  11.142
  334   3HG2  ILE  42          2HG2      ILE  42  -8.957  -5.530  12.469
  335   1HD1  ILE  42          3HD1      ILE  42 -10.956  -6.142   8.802
  336   2HD1  ILE  42          2HD1      ILE  42 -10.110  -5.366   7.463
  337   3HD1  ILE  42          1HD1      ILE  42  -9.977  -7.109   7.701
  338   1HA   GLY  43          1HA       GLY  43  -8.694 -10.113   7.475
  339   2HA   GLY  43          2HA       GLY  43  -6.965 -10.428   7.533
  340    H    GLY  43           H        GLY  43  -6.747  -8.462   8.957
  341   1HB   PHE  44          2HB       PHE  44  -6.523  -5.376   6.487
  342   2HB   PHE  44          1HB       PHE  44  -4.841  -5.700   6.082
  343    H    PHE  44           H        PHE  44  -6.029  -7.838   7.144
  344    HA   PHE  44           HA       PHE  44  -7.128  -6.971   4.579
  345    HD1  PHE  44           HD1      PHE  44  -6.741  -5.858   3.141
  346    HD2  PHE  44           HD2      PHE  44  -5.075  -3.084   5.905
  347    HE1  PHE  44           HE1      PHE  44  -6.834  -4.095   1.427
  348    HE2  PHE  44           HE2      PHE  44  -5.169  -1.318   4.197
  349    HZ   PHE  44           HZ       PHE  44  -6.051  -1.823   1.955
  350   1HB   HIS  45          2HB       HIS  45  -4.267 -11.258   3.719
  351   2HB   HIS  45          1HB       HIS  45  -5.728 -11.086   2.756
  352    H    HIS  45           H        HIS  45  -6.364  -9.020   3.598
  353    HA   HIS  45           HA       HIS  45  -3.478  -9.133   3.127
  354    HD1  HIS  45           HD1      HIS  45  -5.615 -12.841   1.024
  355    HD2  HIS  45           HD2      HIS  45  -1.958 -10.937   1.532
  356    HE1  HIS  45           HE1      HIS  45  -4.093 -13.827  -0.715
  357    HE2  HIS  45           HE2      HIS  45  -1.928 -12.568  -0.474
  358    H    VAL  46           H        VAL  46  -2.650  -8.234   1.380
  359    HA   VAL  46           HA       VAL  46  -4.037  -8.406  -1.170
  360    HB   VAL  46           HB       VAL  46  -2.969  -5.702  -0.542
  361   1HG1  VAL  46          3HG1      VAL  46  -5.311  -6.713  -2.150
  362   2HG1  VAL  46          2HG1      VAL  46  -4.804  -5.027  -2.035
  363   3HG1  VAL  46          1HG1      VAL  46  -3.740  -6.220  -2.781
  364   1HG2  VAL  46          3HG2      VAL  46  -5.550  -6.785   0.551
  365   2HG2  VAL  46          2HG2      VAL  46  -4.267  -5.931   1.408
  366   3HG2  VAL  46          1HG2      VAL  46  -5.294  -5.064   0.265
  367   1HB   CYS  47          2HB       CYS  47  -0.562  -9.742  -4.741
  368   2HB   CYS  47          1HB       CYS  47   0.437 -10.630  -3.592
  369    H    CYS  47           H        CYS  47  -2.569  -9.157  -2.553
  370    HA   CYS  47           HA       CYS  47   0.227  -9.054  -1.990
  371    H    ALA  48           H        ALA  48  -1.650  -6.629  -2.877
  372    HA   ALA  48           HA       ALA  48   0.164  -5.521  -4.897
  373   1HB   ALA  48          2HB       ALA  48  -2.471  -5.511  -5.006
  374   2HB   ALA  48          3HB       ALA  48  -1.525  -4.146  -5.601
  375   3HB   ALA  48          1HB       ALA  48  -2.279  -4.070  -4.008
  376    H    ALA  49           H        ALA  49   1.783  -4.330  -4.183
  377    HA   ALA  49           HA       ALA  49   2.051  -3.464  -1.529
  378   1HB   ALA  49          2HB       ALA  49   4.134  -3.495  -2.323
  379   2HB   ALA  49          1HB       ALA  49   3.587  -3.301  -3.989
  380   3HB   ALA  49          3HB       ALA  49   3.795  -1.885  -2.958
  381   1HA   GLY  50          2HA       GLY  50  -0.264   0.058  -0.426
  382   2HA   GLY  50          1HA       GLY  50   0.156   0.454  -2.084
  383    H    GLY  50           H        GLY  50   1.449  -1.664  -0.487
  384   1HB   TRP  51          2HB       TRP  51   1.586   4.576  -2.530
  385   2HB   TRP  51          1HB       TRP  51   2.901   5.385  -1.682
  386    H    TRP  51           H        TRP  51   0.962   2.452  -2.090
  387    HA   TRP  51           HA       TRP  51   3.419   3.003  -0.750
  388    HD1  TRP  51           HD1      TRP  51   2.210   3.040  -4.581
  389    HE1  TRP  51           HE1      TRP  51   4.409   2.621  -5.867
  390    HE3  TRP  51           HE3      TRP  51   5.489   5.276  -1.364
  391    HZ2  TRP  51           HZ2      TRP  51   7.149   3.191  -5.577
  392    HZ3  TRP  51           HZ3      TRP  51   7.875   5.291  -1.942
  393    HH2  TRP  51           HH2      TRP  51   8.691   4.275  -4.004
  394   1HB   MET  52          2HB       MET  52   2.389   4.504   4.579
  395   2HB   MET  52          1HB       MET  52   1.581   3.398   3.478
  396   1HG   MET  52          2HG       MET  52   3.860   2.654   2.726
  397   2HG   MET  52          1HG       MET  52   4.520   3.595   4.062
  398    H    MET  52           H        MET  52   3.826   4.107   1.070
  399    HA   MET  52           HA       MET  52   1.630   5.521   2.402
  400   1HE   MET  52          3HE       MET  52   4.789   0.753   3.144
  401   2HE   MET  52          2HE       MET  52   4.877  -0.179   4.638
  402   3HE   MET  52          1HE       MET  52   3.486  -0.358   3.568
  403    H    ALA  53           H        ALA  53   2.881   6.236   4.711
  404    HA   ALA  53           HA       ALA  53   4.342   8.475   4.036
  405   1HB   ALA  53          2HB       ALA  53   4.907   8.678   6.362
  406   2HB   ALA  53          3HB       ALA  53   4.592   6.964   6.632
  407   3HB   ALA  53          1HB       ALA  53   3.263   8.052   6.231
  408   1HB   LYS  54          2HB       LYS  54   8.052   6.706   5.828
  409   2HB   LYS  54          1HB       LYS  54   9.134   5.965   4.657
  410   1HG   LYS  54          2HG       LYS  54  10.704   6.668   6.103
  411   2HG   LYS  54          1HG       LYS  54  10.537   8.178   5.207
  412   1HD   LYS  54          2HD       LYS  54   8.569   7.986   7.314
  413   2HD   LYS  54          1HD       LYS  54  10.207   7.810   7.948
  414   1HE   LYS  54          2HE       LYS  54  10.393  10.021   7.868
  415   2HE   LYS  54          1HE       LYS  54  10.363   9.897   6.109
  416    H    LYS  54           H        LYS  54   6.578   9.027   4.356
  417    HA   LYS  54           HA       LYS  54   8.815   8.759   4.051
  418   1HZ   LYS  54          3HZ       LYS  54   7.743   9.789   7.239
  419   2HZ   LYS  54          2HZ       LYS  54   8.549  11.213   7.667
  420   3HZ   LYS  54          1HZ       LYS  54   8.355  10.810   6.036
  421   1HA   GLY  55          1HA       GLY  55   8.287   6.816   0.070
  422   2HA   GLY  55          2HA       GLY  55   6.556   6.509   0.095
  423    H    GLY  55           H        GLY  55   6.523   7.182   2.306
  424   1HB   ARG  56          2HB       ARG  56   7.806   3.240   4.035
  425   2HB   ARG  56          1HB       ARG  56   6.296   2.394   3.724
  426   1HG   ARG  56          2HG       ARG  56   7.545   0.342   3.260
  427   2HG   ARG  56          1HG       ARG  56   9.054   1.194   3.595
  428   1HD   ARG  56          2HD       ARG  56   6.872   0.393   5.473
  429   2HD   ARG  56          1HD       ARG  56   8.610   0.134   5.607
  430   1HH1  ARG  56          2HH1      ARG  56  10.214   0.972   5.864
  431   2HH1  ARG  56          1HH1      ARG  56  11.091   2.130   6.806
  432   1HH2  ARG  56          2HH2      ARG  56   8.284   4.078   7.553
  433   2HH2  ARG  56          1HH2      ARG  56   9.993   3.897   7.768
  434    H    ARG  56           H        ARG  56   6.787   4.750   2.448
  435    HA   ARG  56           HA       ARG  56   8.441   2.536   1.624
  436    HE   ARG  56           HE       ARG  56   7.140   2.546   6.311
  437    H    VAL  57           H        VAL  57   7.855   0.841   0.405
  438    HA   VAL  57           HA       VAL  57   4.990   0.530  -0.208
  439    HB   VAL  57           HB       VAL  57   7.280   0.760  -2.014
  440   1HG1  VAL  57          2HG1      VAL  57   6.938  -1.696  -2.070
  441   2HG1  VAL  57          1HG1      VAL  57   5.267  -1.416  -2.563
  442   3HG1  VAL  57          3HG1      VAL  57   6.593  -0.906  -3.609
  443   1HG2  VAL  57          1HG2      VAL  57   4.362   1.230  -2.013
  444   2HG2  VAL  57          3HG2      VAL  57   5.691   2.298  -2.469
  445   3HG2  VAL  57          2HG2      VAL  57   5.166   1.019  -3.569
  446   1HA   GLY  58          2HA       GLY  58   5.189  -3.379   1.681
  447   2HA   GLY  58          1HA       GLY  58   5.610  -3.834   0.038
  448    H    GLY  58           H        GLY  58   4.109  -1.380   0.189
  449   1HB   TYR  59          2HB       TYR  59   1.369  -7.310  -1.074
  450   2HB   TYR  59          1HB       TYR  59   1.698  -5.719  -1.755
  451    H    TYR  59           H        TYR  59   4.267  -5.736   0.639
  452    HA   TYR  59           HA       TYR  59   1.392  -5.176   0.466
  453    HD1  TYR  59           HD1      TYR  59   4.227  -5.049  -1.911
  454    HD2  TYR  59           HD2      TYR  59   2.838  -9.060  -1.514
  455    HE1  TYR  59           HE1      TYR  59   6.356  -5.872  -2.824
  456    HE2  TYR  59           HE2      TYR  59   4.965  -9.886  -2.427
  457    HH   TYR  59           HH       TYR  59   7.174  -7.936  -4.013
  458   1HB   PRO  60          2HB       PRO  60  -0.824  -7.716   4.744
  459   2HB   PRO  60          1HB       PRO  60   0.497  -6.632   5.183
  460   1HG   PRO  60          2HG       PRO  60  -1.604  -6.312   3.087
  461   2HG   PRO  60          1HG       PRO  60  -0.920  -5.102   4.185
  462   1HD   PRO  60          2HD       PRO  60  -0.186  -5.314   1.581
  463   2HD   PRO  60          1HD       PRO  60   0.918  -4.746   2.850
  464    HA   PRO  60           HA       PRO  60   1.757  -8.065   3.916
  465   1HG1  ILE  61          2HG1      ILE  61   2.765 -10.430   1.097
  466   2HG1  ILE  61          1HG1      ILE  61   2.682 -11.486  -0.309
  467    H    ILE  61           H        ILE  61   1.843 -10.082   3.055
  468    HA   ILE  61           HA       ILE  61  -0.524 -11.127   1.681
  469    HB   ILE  61           HB       ILE  61   2.085 -12.590   1.880
  470   1HG2  ILE  61          1HG2      ILE  61  -0.396 -13.073   0.654
  471   2HG2  ILE  61          3HG2      ILE  61   0.737 -12.702  -0.646
  472   3HG2  ILE  61          2HG2      ILE  61   1.091 -14.007   0.488
  473   1HD1  ILE  61          2HD1      ILE  61   0.248  -9.949   0.314
  474   2HD1  ILE  61          1HD1      ILE  61   1.644  -9.035  -0.257
  475   3HD1  ILE  61          3HD1      ILE  61   0.984 -10.340  -1.240
  476    H    VAL  62           H        VAL  62  -1.894 -11.708   3.314
  477    HA   VAL  62           HA       VAL  62  -0.949 -13.343   5.517
  478    HB   VAL  62           HB       VAL  62  -3.822 -12.675   4.912
  479   1HG1  VAL  62          1HG1      VAL  62  -2.289 -13.615   7.297
  480   2HG1  VAL  62          3HG1      VAL  62  -3.773 -12.687   7.517
  481   3HG1  VAL  62          2HG1      VAL  62  -3.809 -14.212   6.632
  482   1HG2  VAL  62          2HG2      VAL  62  -1.728 -10.966   6.230
  483   2HG2  VAL  62          1HG2      VAL  62  -2.789 -10.554   4.882
  484   3HG2  VAL  62          3HG2      VAL  62  -3.456 -10.738   6.505
  485   1HB   LYS  63          2HB       LYS  63  -4.875 -14.919   2.359
  486   2HB   LYS  63          1HB       LYS  63  -4.312 -15.304   0.740
  487   1HG   LYS  63          2HG       LYS  63  -4.736 -17.634   1.072
  488   2HG   LYS  63          1HG       LYS  63  -5.096 -17.372   2.781
  489   1HD   LYS  63          2HD       LYS  63  -6.958 -15.823   1.977
  490   2HD   LYS  63          1HD       LYS  63  -6.700 -16.529   0.382
  491   1HE   LYS  63          2HE       LYS  63  -8.350 -17.901   1.167
  492   2HE   LYS  63          1HE       LYS  63  -6.925 -18.789   1.701
  493    H    LYS  63           H        LYS  63  -2.502 -13.732   2.446
  494    HA   LYS  63           HA       LYS  63  -2.902 -16.595   3.018
  495   1HZ   LYS  63          2HZ       LYS  63  -7.608 -16.930   3.682
  496   2HZ   LYS  63          1HZ       LYS  63  -9.009 -17.775   3.259
  497   3HZ   LYS  63          3HZ       LYS  63  -7.635 -18.619   3.774
  498   1HB   PRO  64          2HB       PRO  64   0.591 -19.345   0.937
  499   2HB   PRO  64          1HB       PRO  64   1.959 -18.233   0.855
  500   1HG   PRO  64          2HG       PRO  64   0.879 -18.931   3.196
  501   2HG   PRO  64          1HG       PRO  64   1.490 -17.293   2.912
  502   1HD   PRO  64          1HD       PRO  64  -1.320 -18.277   3.017
  503   2HD   PRO  64          2HD       PRO  64  -0.649 -16.713   3.522
  504    HA   PRO  64           HA       PRO  64   0.665 -16.490   0.115
  505   1HA   GLY  65          2HA       GLY  65  -1.425 -18.104  -3.311
  506   2HA   GLY  65          1HA       GLY  65  -0.432 -19.532  -3.063
  507    H    GLY  65           H        GLY  65   0.970 -17.429  -1.934
  508   1HB   PRO  66          2HB       PRO  66   0.228 -18.919  -8.762
  509   2HB   PRO  66          1HB       PRO  66   0.893 -20.245  -7.803
  510   1HG   PRO  66          2HG       PRO  66  -1.803 -18.954  -7.639
  511   2HG   PRO  66          1HG       PRO  66  -1.380 -20.674  -7.566
  512   1HD   PRO  66          2HD       PRO  66  -1.924 -19.213  -5.352
  513   2HD   PRO  66          1HD       PRO  66  -0.767 -20.560  -5.346
  514    HA   PRO  66           HA       PRO  66   1.900 -18.528  -6.657
  515   1HB   ASN  67          2HB       ASN  67   0.661 -15.834  -9.927
  516   2HB   ASN  67          1HB       ASN  67  -0.302 -14.583  -9.148
  517   1HD2  ASN  67          1HD2      ASN  67   1.492 -15.310 -11.804
  518   2HD2  ASN  67          2HD2      ASN  67   1.858 -13.712 -12.349
  519    H    ASN  67           H        ASN  67   2.550 -16.750  -7.732
  520    HA   ASN  67           HA       ASN  67   2.600 -14.618  -8.521
  521   1HB   CYS  68          2HB       CYS  68  -0.919 -14.740  -4.939
  522   2HB   CYS  68          1HB       CYS  68  -0.740 -13.927  -3.388
  523    H    CYS  68           H        CYS  68   1.740 -15.206  -5.720
  524    HA   CYS  68           HA       CYS  68   0.950 -12.501  -5.057
  525   1HA   GLY  69          2HA       GLY  69   1.710 -16.084  -1.182
  526   2HA   GLY  69          1HA       GLY  69   2.239 -14.413  -1.030
  527    H    GLY  69           H        GLY  69   0.742 -15.519  -3.196
  528   1HB   PHE  70          2HB       PHE  70   6.247 -13.241  -1.195
  529   2HB   PHE  70          1HB       PHE  70   7.372 -14.306  -0.360
  530    H    PHE  70           H        PHE  70   4.363 -14.288  -0.801
  531    HA   PHE  70           HA       PHE  70   6.120 -15.536  -2.708
  532    HD1  PHE  70           HD1      PHE  70   9.079 -15.554  -1.917
  533    HD2  PHE  70           HD2      PHE  70   7.016 -11.979  -2.954
  534    HE1  PHE  70           HE1      PHE  70  10.809 -15.045  -3.590
  535    HE2  PHE  70           HE2      PHE  70   8.742 -11.464  -4.629
  536    HZ   PHE  70           HZ       PHE  70  10.643 -12.997  -4.948
  537   1HA   GLY  71          1HA       GLY  71   6.829 -18.563   0.535
  538   2HA   GLY  71          2HA       GLY  71   5.124 -19.000   0.560
  539    H    GLY  71           H        GLY  71   4.635 -16.652   0.010
  540   1HB   LYS  72          2HB       LYS  72   7.564 -14.809   3.373
  541   2HB   LYS  72          1HB       LYS  72   6.982 -14.568   5.015
  542   1HG   LYS  72          2HG       LYS  72   9.093 -15.372   5.395
  543   2HG   LYS  72          1HG       LYS  72   8.145 -16.859   5.462
  544   1HD   LYS  72          2HD       LYS  72   9.887 -17.478   4.082
  545   2HD   LYS  72          1HD       LYS  72   8.665 -16.978   2.911
  546   1HE   LYS  72          2HE       LYS  72   9.925 -14.626   3.369
  547   2HE   LYS  72          1HE       LYS  72  11.258 -15.762   3.578
  548    H    LYS  72           H        LYS  72   6.360 -16.015   1.908
  549    HA   LYS  72           HA       LYS  72   6.146 -17.096   4.619
  550   1HZ   LYS  72          2HZ       LYS  72  10.259 -16.723   1.358
  551   2HZ   LYS  72          1HZ       LYS  72   9.713 -15.133   1.179
  552   3HZ   LYS  72          3HZ       LYS  72  11.367 -15.447   1.348
  553    H    THR  73           H        THR  73   5.102 -15.705   6.276
  554    HA   THR  73           HA       THR  73   2.677 -14.451   5.169
  555    HB   THR  73           HB       THR  73   1.573 -14.995   7.305
  556    HG1  THR  73           HG1      THR  73   2.662 -15.871   8.927
  557   1HG2  THR  73          1HG2      THR  73   2.840 -17.285   5.807
  558   2HG2  THR  73          3HG2      THR  73   1.571 -17.499   7.015
  559   3HG2  THR  73          2HG2      THR  73   1.247 -16.572   5.550
  560   1HA   GLY  74          2HA       GLY  74   4.297 -10.998   7.354
  561   2HA   GLY  74          1HA       GLY  74   2.567 -10.678   7.396
  562    H    GLY  74           H        GLY  74   2.626 -12.314   5.340
  563   1HG1  ILE  75          1HG1      ILE  75   2.072  -5.334   5.123
  564   2HG1  ILE  75          2HG1      ILE  75   1.802  -6.323   6.554
  565    H    ILE  75           H        ILE  75   3.605  -8.443   7.106
  566    HA   ILE  75           HA       ILE  75   2.979  -7.487   4.553
  567    HB   ILE  75           HB       ILE  75   4.258  -6.326   6.965
  568   1HG2  ILE  75          1HG2      ILE  75   4.559  -5.176   4.207
  569   2HG2  ILE  75          3HG2      ILE  75   4.599  -4.169   5.655
  570   3HG2  ILE  75          2HG2      ILE  75   5.801  -5.440   5.431
  571   1HD1  ILE  75          3HD1      ILE  75   3.098  -4.384   7.747
  572   2HD1  ILE  75          2HD1      ILE  75   2.567  -3.463   6.341
  573   3HD1  ILE  75          1HD1      ILE  75   1.378  -4.245   7.384
  574   1HG1  ILE  76          1HG1      ILE  76   5.143  -9.988   2.489
  575   2HG1  ILE  76          2HG1      ILE  76   4.079  -9.929   1.087
  576    H    ILE  76           H        ILE  76   4.065  -7.510   2.707
  577    HA   ILE  76           HA       ILE  76   6.903  -8.230   2.739
  578    HB   ILE  76           HB       ILE  76   5.070  -8.062   0.351
  579   1HG2  ILE  76          3HG2      ILE  76   7.566  -7.958   0.020
  580   2HG2  ILE  76          2HG2      ILE  76   7.635  -9.601   0.658
  581   3HG2  ILE  76          1HG2      ILE  76   6.735  -9.267  -0.821
  582   1HD1  ILE  76          2HD1      ILE  76   6.843 -11.094   1.014
  583   2HD1  ILE  76          1HD1      ILE  76   5.388 -12.035   1.348
  584   3HD1  ILE  76          3HD1      ILE  76   5.577 -11.226  -0.208
  585   1HB   ASP  77          2HB       ASP  77   6.396  -3.030   2.537
  586   2HB   ASP  77          1HB       ASP  77   7.023  -3.794   3.993
  587    H    ASP  77           H        ASP  77   7.716  -6.186   3.350
  588    HA   ASP  77           HA       ASP  77   7.750  -4.249   1.144
  589   1HB   TYR  78          2HB       TYR  78  11.528  -4.972  -0.553
  590   2HB   TYR  78          1HB       TYR  78  12.629  -3.599  -0.484
  591    H    TYR  78           H        TYR  78   9.755  -3.989   0.449
  592    HA   TYR  78           HA       TYR  78  11.997  -4.711   2.152
  593    HD1  TYR  78           HD1      TYR  78  14.842  -3.888   0.720
  594    HD2  TYR  78           HD2      TYR  78  12.327  -7.168  -0.292
  595    HE1  TYR  78           HE1      TYR  78  16.749  -5.421   0.974
  596    HE2  TYR  78           HE2      TYR  78  14.227  -8.709  -0.041
  597    HH   TYR  78           HH       TYR  78  16.803  -8.211   1.553
  598   1HA   GLY  79          2HA       GLY  79  12.551  -0.542   3.337
  599   2HA   GLY  79          1HA       GLY  79  10.833  -0.224   3.581
  600    H    GLY  79           H        GLY  79  10.432  -2.344   2.791
  601   1HG1  ILE  80          2HG1      ILE  80  12.161   3.905   3.449
  602   2HG1  ILE  80          1HG1      ILE  80  11.761   5.460   2.732
  603    H    ILE  80           H        ILE  80  11.982   1.941   2.821
  604    HA   ILE  80           HA       ILE  80  10.828   2.757   0.480
  605    HB   ILE  80           HB       ILE  80  13.434   3.866   1.508
  606   1HG2  ILE  80          2HG2      ILE  80  11.466   4.700  -0.478
  607   2HG2  ILE  80          1HG2      ILE  80  11.853   5.955   0.698
  608   3HG2  ILE  80          3HG2      ILE  80  13.139   5.212  -0.254
  609   1HD1  ILE  80          1HD1      ILE  80   9.864   3.804   1.664
  610   2HD1  ILE  80          3HD1      ILE  80  10.064   3.181   3.302
  611   3HD1  ILE  80          2HD1      ILE  80   9.649   4.877   3.048
  612   1HB   ARG  81          2HB       ARG  81  11.322   1.885  -4.083
  613   2HB   ARG  81          1HB       ARG  81  12.308   0.506  -4.552
  614   1HG   ARG  81          2HG       ARG  81  10.120   0.475  -2.483
  615   2HG   ARG  81          1HG       ARG  81   9.991  -0.133  -4.134
  616   1HD   ARG  81          2HD       ARG  81  11.955  -1.149  -2.085
  617   2HD   ARG  81          1HD       ARG  81  10.403  -1.906  -2.441
  618   1HH1  ARG  81          2HH1      ARG  81   9.640  -3.123  -3.328
  619   2HH1  ARG  81          1HH1      ARG  81   9.698  -4.390  -4.507
  620   1HH2  ARG  81          1HH2      ARG  81  12.775  -3.402  -5.843
  621   2HH2  ARG  81          2HH2      ARG  81  11.480  -4.549  -5.937
  622    H    ARG  81           H        ARG  81  11.078   1.864  -1.470
  623    HA   ARG  81           HA       ARG  81  13.286   0.395  -2.337
  624    HE   ARG  81           HE       ARG  81  12.688  -1.736  -4.287
  625   1HB   LEU  82          2HB       LEU  82  16.185   2.979  -2.535
  626   2HB   LEU  82          1HB       LEU  82  16.721   4.254  -3.609
  627    H    LEU  82           H        LEU  82  13.218   3.619  -1.702
  628    HA   LEU  82           HA       LEU  82  14.599   5.366  -2.160
  629    HG   LEU  82           HG       LEU  82  18.007   4.291  -1.556
  630   1HD1  LEU  82          3HD1      LEU  82  16.261   6.520  -2.337
  631   2HD1  LEU  82          2HD1      LEU  82  16.991   6.661  -0.738
  632   3HD1  LEU  82          1HD1      LEU  82  18.015   6.456  -2.159
  633   1HD2  LEU  82          1HD2      LEU  82  15.502   3.710  -0.356
  634   2HD2  LEU  82          3HD2      LEU  82  17.097   3.766   0.393
  635   3HD2  LEU  82          2HD2      LEU  82  16.104   5.221   0.325
  636   1HB   ASN  83          2HB       ASN  83  14.784   4.203  -7.056
  637   2HB   ASN  83          1HB       ASN  83  13.452   3.052  -6.992
  638   1HD2  ASN  83          2HD2      ASN  83  12.489   2.647  -8.836
  639   2HD2  ASN  83          1HD2      ASN  83  12.451   3.683 -10.219
  640    H    ASN  83           H        ASN  83  12.750   4.046  -4.283
  641    HA   ASN  83           HA       ASN  83  13.298   6.000  -6.323
  642   1HB   ARG  84          2HB       ARG  84   7.706   7.323  -5.809
  643   2HB   ARG  84          1HB       ARG  84   8.956   7.292  -4.574
  644   1HG   ARG  84          2HG       ARG  84  10.437   8.389  -6.391
  645   2HG   ARG  84          1HG       ARG  84   8.900   8.774  -7.165
  646   1HD   ARG  84          2HD       ARG  84   8.318  10.281  -5.575
  647   2HD   ARG  84          1HD       ARG  84   9.113   9.384  -4.282
  648   1HH1  ARG  84          1HH1      ARG  84   8.343  11.727  -6.426
  649   2HH1  ARG  84          2HH1      ARG  84   9.118  13.215  -6.855
  650   1HH2  ARG  84          1HH2      ARG  84  12.227  12.316  -5.535
  651   2HH2  ARG  84          2HH2      ARG  84  11.326  13.549  -6.350
  652    H    ARG  84           H        ARG  84  11.252   6.772  -5.781
  653    HA   ARG  84           HA       ARG  84   8.926   5.162  -5.699
  654    HE   ARG  84           HE       ARG  84  11.199  10.358  -4.973
  655   1HB   SER  85          2HB       SER  85  11.657   5.837 -10.116
  656   2HB   SER  85          1HB       SER  85  11.135   4.628 -11.289
  657    H    SER  85           H        SER  85  10.743   5.233  -8.202
  658    HA   SER  85           HA       SER  85   8.851   6.051 -10.249
  659    HG   SER  85           HG       SER  85  11.477   6.672 -12.258
  660   1HB   GLU  86          2HB       GLU  86   7.514   1.402  -7.390
  661   2HB   GLU  86          1HB       GLU  86   8.109  -0.004  -8.263
  662   1HG   GLU  86          2HG       GLU  86   9.909   2.225  -7.369
  663   2HG   GLU  86          1HG       GLU  86   9.529   0.835  -6.353
  664    H    GLU  86           H        GLU  86   8.886   3.513  -8.321
  665    HA   GLU  86           HA       GLU  86   8.773   1.309 -10.129
  666   1HB   ARG  87          2HB       ARG  87   5.046  -0.952 -11.643
  667   2HB   ARG  87          1HB       ARG  87   3.561  -0.060 -11.942
  668   1HG   ARG  87          2HG       ARG  87   5.101   1.900 -12.555
  669   2HG   ARG  87          1HG       ARG  87   6.373   0.681 -12.649
  670   1HD   ARG  87          2HD       ARG  87   5.135  -0.540 -14.324
  671   2HD   ARG  87          1HD       ARG  87   3.777   0.576 -14.177
  672   1HH1  ARG  87          1HH1      ARG  87   4.339  -0.609 -16.250
  673   2HH1  ARG  87          2HH1      ARG  87   4.732  -0.159 -17.876
  674   1HH2  ARG  87          2HH2      ARG  87   6.443   2.751 -16.964
  675   2HH2  ARG  87          1HH2      ARG  87   5.930   1.752 -18.283
  676    H    ARG  87           H        ARG  87   6.532  -0.088  -9.535
  677    HA   ARG  87           HA       ARG  87   4.276   1.632 -10.280
  678    HE   ARG  87           HE       ARG  87   5.919   2.151 -14.830
  679   1HB   TRP  88          2HB       TRP  88   3.535   0.810  -5.710
  680   2HB   TRP  88          1HB       TRP  88   2.577  -0.552  -5.152
  681    H    TRP  88           H        TRP  88   3.410   1.424  -8.224
  682    HA   TRP  88           HA       TRP  88   2.371  -1.257  -7.578
  683    HD1  TRP  88           HD1      TRP  88   6.018   0.410  -5.593
  684    HE1  TRP  88           HE1      TRP  88   7.583  -1.634  -5.618
  685    HE3  TRP  88           HE3      TRP  88   2.534  -3.251  -6.297
  686    HZ2  TRP  88           HZ2      TRP  88   7.357  -4.439  -5.891
  687    HZ3  TRP  88           HZ3      TRP  88   3.287  -5.590  -6.430
  688    HH2  TRP  88           HH2      TRP  88   5.650  -6.170  -6.234
  689   1HB   ASP  89          2HB       ASP  89  -1.283  -0.977  -4.665
  690   2HB   ASP  89          1HB       ASP  89  -2.597   0.191  -4.792
  691    H    ASP  89           H        ASP  89   1.050  -0.204  -5.211
  692    HA   ASP  89           HA       ASP  89  -1.057   1.435  -6.457
  693    H    ALA  90           H        ALA  90  -2.295   1.104  -3.590
  694    HA   ALA  90           HA       ALA  90  -0.538   2.530  -1.868
  695   1HB   ALA  90          1HB       ALA  90  -0.875   4.436  -3.183
  696   2HB   ALA  90          2HB       ALA  90  -1.972   4.636  -1.817
  697   3HB   ALA  90          3HB       ALA  90  -2.597   4.106  -3.378
  698   1HB   TYR  91          2HB       TYR  91  -1.227   1.312   2.206
  699   2HB   TYR  91          1HB       TYR  91  -2.720   1.039   3.096
  700    H    TYR  91           H        TYR  91  -1.207   2.436   0.203
  701    HA   TYR  91           HA       TYR  91  -3.814   1.195   0.703
  702    HD1  TYR  91           HD1      TYR  91  -4.287  -0.801   1.669
  703    HD2  TYR  91           HD2      TYR  91  -0.035  -0.611   1.853
  704    HE1  TYR  91           HE1      TYR  91  -4.160  -3.200   1.148
  705    HE2  TYR  91           HE2      TYR  91   0.099  -3.009   1.327
  706    HH   TYR  91           HH       TYR  91  -2.218  -5.102   1.678
  707   1HB   CYS  92          2HB       CYS  92  -7.063   4.387   0.746
  708   2HB   CYS  92          1HB       CYS  92  -6.888   6.066   1.232
  709    H    CYS  92           H        CYS  92  -4.839   3.308   0.259
  710    HA   CYS  92           HA       CYS  92  -4.466   5.654   1.618
  711   1HB   TYR  93          2HB       TYR  93  -4.708   4.731   5.762
  712   2HB   TYR  93          1HB       TYR  93  -4.722   6.464   6.078
  713    H    TYR  93           H        TYR  93  -6.013   6.612   3.254
  714    HA   TYR  93           HA       TYR  93  -7.160   4.889   5.225
  715    HD1  TYR  93           HD1      TYR  93  -7.081   6.967   7.605
  716    HD2  TYR  93           HD2      TYR  93  -4.522   3.572   7.750
  717    HE1  TYR  93           HE1      TYR  93  -7.794   6.539   9.919
  718    HE2  TYR  93           HE2      TYR  93  -5.226   3.134  10.066
  719    HH   TYR  93           HH       TYR  93  -7.274   3.668  11.501
  720   1HB   ASN  94          2HB       ASN  94  -8.900   9.056   4.520
  721   2HB   ASN  94          1HB       ASN  94 -10.344   8.048   4.487
  722   1HD2  ASN  94          1HD2      ASN  94 -10.907  10.280   3.473
  723   2HD2  ASN  94          2HD2      ASN  94 -11.668  11.389   4.557
  724    H    ASN  94           H        ASN  94  -8.796   5.950   6.139
  725    HA   ASN  94           HA       ASN  94  -8.669   8.673   6.928
  726   1HB   PRO  95          2HB       PRO  95 -12.153   8.793  11.141
  727   2HB   PRO  95          1HB       PRO  95 -10.768   7.704  11.268
  728   1HG   PRO  95          2HG       PRO  95 -10.943  10.412  10.007
  729   2HG   PRO  95          1HG       PRO  95  -9.664   9.736  11.030
  730   1HD   PRO  95          2HD       PRO  95  -9.448   9.873   8.338
  731   2HD   PRO  95          1HD       PRO  95  -8.714   8.564   9.286
  732    HA   PRO  95           HA       PRO  95 -11.760   6.685   9.466
  733   1HB   HIS  96          2HB       HIS  96 -13.068  11.427   7.209
  734   2HB   HIS  96          1HB       HIS  96 -14.535  11.509   6.237
  735    H    HIS  96           H        HIS  96 -12.120   9.180   7.275
  736    HA   HIS  96           HA       HIS  96 -15.026   9.292   7.744
  737    HD1  HIS  96           HD1      HIS  96 -16.472  12.629   7.305
  738    HD2  HIS  96           HD2      HIS  96 -13.695  11.315  10.102
  739    HE1  HIS  96           HE1      HIS  96 -17.299  13.478   9.522
  740    HE2  HIS  96           HE2      HIS  96 -15.556  12.745  11.189
  741    H    ALA  97           H        ALA  97 -12.910   7.780   5.936
  742    HA   ALA  97           HA       ALA  97 -13.949   8.348   3.295
  743   1HB   ALA  97          1HB       ALA  97 -12.060   6.164   4.169
  744   2HB   ALA  97          3HB       ALA  97 -12.377   6.684   2.515
  745   3HB   ALA  97          2HB       ALA  97 -11.572   7.775   3.643
  746   1HB   LYS  98          2HB       LYS  98 -16.811   6.015   6.575
  747   2HB   LYS  98          1HB       LYS  98 -18.469   6.105   5.997
  748   1HG   LYS  98          2HG       LYS  98 -18.769   3.874   6.089
  749   2HG   LYS  98          1HG       LYS  98 -17.111   3.522   5.600
  750   1HD   LYS  98          2HD       LYS  98 -17.162   2.800   7.806
  751   2HD   LYS  98          1HD       LYS  98 -16.478   4.420   7.941
  752   1HE   LYS  98          2HE       LYS  98 -19.087   5.011   8.161
  753   2HE   LYS  98          1HE       LYS  98 -19.095   3.380   8.833
  754    H    LYS  98           H        LYS  98 -16.050   7.648   4.847
  755    HA   LYS  98           HA       LYS  98 -16.644   4.868   4.073
  756   1HZ   LYS  98          2HZ       LYS  98 -17.026   5.205   9.785
  757   2HZ   LYS  98          1HZ       LYS  98 -18.609   5.503  10.302
  758   3HZ   LYS  98          3HZ       LYS  98 -17.881   4.009  10.621

  No H/Q in entry =         758
  Start of MODEL   14
    1   1HA   GLY   1          2HA       GLY   1 -10.708   2.069   7.652
    2   2HA   GLY   1          1HA       GLY   1  -9.305   2.124   8.707
    3    H1   GLY   1          2H        GLY   1  -9.679   4.717   7.899
    4    H2   GLY   1          1H        GLY   1 -11.242   4.140   8.186
    5    H3   GLY   1          3H        GLY   1 -10.075   4.064   9.408
    6    H    VAL   2           H        VAL   2  -7.531   1.599   7.633
    7    HA   VAL   2           HA       VAL   2  -6.739   3.050   5.291
    8    HB   VAL   2           HB       VAL   2  -4.931   2.535   6.658
    9   1HG1  VAL   2          1HG1      VAL   2  -6.469   0.182   7.283
   10   2HG1  VAL   2          3HG1      VAL   2  -4.782  -0.235   6.974
   11   3HG1  VAL   2          2HG1      VAL   2  -5.185   0.961   8.208
   12   1HG2  VAL   2          1HG2      VAL   2  -4.960   1.546   4.104
   13   2HG2  VAL   2          3HG2      VAL   2  -3.529   1.712   5.122
   14   3HG2  VAL   2          2HG2      VAL   2  -4.379   0.169   5.041
   15   1HB   TYR   3          2HB       TYR   3  -9.059   0.712   0.676
   16   2HB   TYR   3          1HB       TYR   3  -9.726   0.863   2.295
   17    H    TYR   3           H        TYR   3  -6.955   2.494   3.215
   18    HA   TYR   3           HA       TYR   3  -7.696  -0.281   2.594
   19    HD1  TYR   3           HD1      TYR   3  -8.540   3.176   3.456
   20    HD2  TYR   3           HD2      TYR   3  -9.602   2.526  -0.611
   21    HE1  TYR   3           HE1      TYR   3  -8.780   5.606   3.137
   22    HE2  TYR   3           HE2      TYR   3  -9.839   4.949  -0.945
   23    HH   TYR   3           HH       TYR   3 -10.312   6.971   0.507
   24   1HB   HIS   4          2HB       HIS   4  -4.014  -1.637  -0.543
   25   2HB   HIS   4          1HB       HIS   4  -5.605  -2.340  -0.280
   26    H    HIS   4           H        HIS   4  -7.342  -0.829   0.267
   27    HA   HIS   4           HA       HIS   4  -4.852   0.438  -0.665
   28    HD1  HIS   4           HD1      HIS   4  -6.887  -3.197  -2.371
   29    HD2  HIS   4           HD2      HIS   4  -3.066  -1.768  -3.164
   30    HE1  HIS   4           HE1      HIS   4  -6.346  -3.980  -4.699
   31    HE2  HIS   4           HE2      HIS   4  -4.052  -3.054  -5.180
   32   1HB   ARG   5          2HB       ARG   5  -6.140   3.354  -3.734
   33   2HB   ARG   5          1HB       ARG   5  -7.061   2.985  -5.184
   34   1HG   ARG   5          2HG       ARG   5  -7.990   1.859  -2.595
   35   2HG   ARG   5          1HG       ARG   5  -8.248   3.575  -2.917
   36   1HD   ARG   5          2HD       ARG   5  -9.061   2.483  -5.259
   37   2HD   ARG   5          1HD       ARG   5  -9.509   1.210  -4.125
   38   1HH1  ARG   5          1HH1      ARG   5 -11.177   0.876  -4.933
   39   2HH1  ARG   5          2HH1      ARG   5 -12.884   1.133  -4.802
   40   1HH2  ARG   5          2HH2      ARG   5 -12.587   4.240  -3.225
   41   2HH2  ARG   5          1HH2      ARG   5 -13.686   3.046  -3.831
   42    H    ARG   5           H        ARG   5  -4.734   1.226  -2.687
   43    HA   ARG   5           HA       ARG   5  -6.822   0.547  -4.618
   44    HE   ARG   5           HE       ARG   5 -10.341   3.890  -3.403
   45   1HB   GLU   6          2HB       GLU   6  -3.693  -0.001  -9.268
   46   2HB   GLU   6          1HB       GLU   6  -4.766  -0.791  -8.123
   47   1HG   GLU   6          2HG       GLU   6  -5.474   1.117 -10.324
   48   2HG   GLU   6          1HG       GLU   6  -5.994  -0.554 -10.108
   49    H    GLU   6           H        GLU   6  -6.267   1.039  -6.810
   50    HA   GLU   6           HA       GLU   6  -3.365   1.124  -7.218
   51    H    ALA   7           H        ALA   7  -3.197   1.888  -9.817
   52    HA   ALA   7           HA       ALA   7  -3.222   4.684  -9.652
   53   1HB   ALA   7          1HB       ALA   7  -2.385   4.703 -11.834
   54   2HB   ALA   7          3HB       ALA   7  -1.827   3.167 -11.172
   55   3HB   ALA   7          2HB       ALA   7  -3.213   3.206 -12.262
   56   1HB   ARG   8          2HB       ARG   8  -5.014   6.974 -13.368
   57   2HB   ARG   8          1HB       ARG   8  -6.605   6.653 -14.045
   58   1HG   ARG   8          2HG       ARG   8  -7.359   8.631 -13.393
   59   2HG   ARG   8          1HG       ARG   8  -6.806   8.364 -11.739
   60   1HD   ARG   8          2HD       ARG   8  -5.403  10.061 -12.159
   61   2HD   ARG   8          1HD       ARG   8  -4.457   8.846 -13.018
   62   1HH1  ARG   8          1HH1      ARG   8  -4.411  11.551 -12.528
   63   2HH1  ARG   8          2HH1      ARG   8  -4.250  12.954 -13.533
   64   1HH2  ARG   8          1HH2      ARG   8  -5.805  11.502 -16.308
   65   2HH2  ARG   8          2HH2      ARG   8  -5.043  12.925 -15.681
   66    H    ARG   8           H        ARG   8  -4.233   5.860 -11.776
   67    HA   ARG   8           HA       ARG   8  -6.855   6.386 -11.243
   68    HE   ARG   8           HE       ARG   8  -6.013   9.662 -14.977
   69   1HB   SER   9          2HB       SER   9  -8.572   2.304 -15.531
   70   2HB   SER   9          1HB       SER   9  -8.544   3.992 -15.024
   71    H    SER   9           H        SER   9  -5.589   3.909 -13.422
   72    HA   SER   9           HA       SER   9  -8.032   2.401 -13.172
   73    HG   SER   9           HG       SER   9  -7.037   4.321 -16.434
   74   1HA   GLY  10          2HA       GLY  10  -3.204   1.114 -14.597
   75   2HA   GLY  10          1HA       GLY  10  -4.496  -0.075 -14.673
   76    H    GLY  10           H        GLY  10  -4.751   2.642 -13.567
   77   1HB   LYS  11          2HB       LYS  11  -3.951  -3.200 -12.055
   78   2HB   LYS  11          1HB       LYS  11  -2.303  -3.759 -12.245
   79   1HG   LYS  11          2HG       LYS  11  -2.953  -4.851 -10.328
   80   2HG   LYS  11          1HG       LYS  11  -2.148  -3.419  -9.682
   81   1HD   LYS  11          2HD       LYS  11  -4.155  -2.397  -9.103
   82   2HD   LYS  11          1HD       LYS  11  -5.095  -3.399 -10.210
   83   1HE   LYS  11          2HE       LYS  11  -4.253  -5.344  -8.665
   84   2HE   LYS  11          1HE       LYS  11  -4.040  -4.041  -7.497
   85    H    LYS  11           H        LYS  11  -2.831  -1.469 -13.720
   86    HA   LYS  11           HA       LYS  11  -2.827  -1.231 -10.797
   87   1HZ   LYS  11          2HZ       LYS  11  -6.576  -4.663  -8.912
   88   2HZ   LYS  11          1HZ       LYS  11  -6.218  -5.102  -7.318
   89   3HZ   LYS  11          3HZ       LYS  11  -6.357  -3.468  -7.735
   90   1HB   TYR  12          2HB       TYR  12   1.335  -3.337 -11.477
   91   2HB   TYR  12          1HB       TYR  12   2.736  -2.933 -10.492
   92    H    TYR  12           H        TYR  12  -0.950  -1.569  -9.630
   93    HA   TYR  12           HA       TYR  12   1.283  -1.322  -9.225
   94    HD1  TYR  12           HD1      TYR  12   1.865  -2.893  -7.797
   95    HD2  TYR  12           HD2      TYR  12   0.523  -5.418 -10.946
   96    HE1  TYR  12           HE1      TYR  12   1.214  -4.590  -6.145
   97    HE2  TYR  12           HE2      TYR  12  -0.137  -7.125  -9.304
   98    HH   TYR  12           HH       TYR  12  -0.748  -6.717  -6.371
   99   1HB   LYS  13          2HB       LYS  13   2.061   2.460 -13.682
  100   2HB   LYS  13          1HB       LYS  13   1.572   0.783 -13.481
  101   1HG   LYS  13          2HG       LYS  13  -0.541   1.425 -13.471
  102   2HG   LYS  13          1HG       LYS  13  -0.240   2.341 -11.993
  103   1HD   LYS  13          2HD       LYS  13  -0.633   4.212 -13.124
  104   2HD   LYS  13          1HD       LYS  13   0.802   3.882 -14.098
  105   1HE   LYS  13          2HE       LYS  13  -1.482   2.309 -14.945
  106   2HE   LYS  13          1HE       LYS  13  -1.811   4.040 -15.005
  107    H    LYS  13           H        LYS  13   1.104   0.926 -10.041
  108    HA   LYS  13           HA       LYS  13   3.231   1.534 -11.789
  109   1HZ   LYS  13          1HZ       LYS  13   0.608   3.949 -16.113
  110   2HZ   LYS  13          3HZ       LYS  13   0.009   2.444 -16.603
  111   3HZ   LYS  13          2HZ       LYS  13  -0.829   3.858 -17.002
  112   1HB   LEU  14          2HB       LEU  14   0.784   3.178  -7.414
  113   2HB   LEU  14          1HB       LEU  14   0.853   4.893  -7.077
  114    H    LEU  14           H        LEU  14   1.940   2.244  -9.194
  115    HA   LEU  14           HA       LEU  14   1.469   5.109  -9.597
  116    HG   LEU  14           HG       LEU  14  -0.944   3.586  -9.120
  117   1HD1  LEU  14          3HD1      LEU  14  -1.192   3.856  -6.304
  118   2HD1  LEU  14          2HD1      LEU  14  -2.354   4.942  -7.071
  119   3HD1  LEU  14          1HD1      LEU  14  -2.365   3.222  -7.460
  120   1HD2  LEU  14          2HD2      LEU  14  -0.016   6.098  -9.271
  121   2HD2  LEU  14          1HD2      LEU  14  -1.635   5.629  -9.788
  122   3HD2  LEU  14          3HD2      LEU  14  -1.392   6.353  -8.199
  123    H    THR  15           H        THR  15   2.556   6.655  -8.326
  124    HA   THR  15           HA       THR  15   5.179   5.744  -7.346
  125    HB   THR  15           HB       THR  15   6.023   7.963  -7.768
  126    HG1  THR  15           HG1      THR  15   4.473   9.473  -8.842
  127   1HG2  THR  15          1HG2      THR  15   4.407   6.838 -10.050
  128   2HG2  THR  15          3HG2      THR  15   5.555   8.162 -10.242
  129   3HG2  THR  15          2HG2      THR  15   6.117   6.581  -9.702
  130   1HB   TYR  16          2HB       TYR  16   6.815   8.106  -3.553
  131   2HB   TYR  16          1HB       TYR  16   6.482   9.742  -4.111
  132    H    TYR  16           H        TYR  16   5.767   8.193  -5.982
  133    HA   TYR  16           HA       TYR  16   4.375   7.656  -3.508
  134    HD1  TYR  16           HD1      TYR  16   5.375   7.477  -1.348
  135    HD2  TYR  16           HD2      TYR  16   6.562  11.394  -2.511
  136    HE1  TYR  16           HE1      TYR  16   5.180   8.219   0.984
  137    HE2  TYR  16           HE2      TYR  16   6.370  12.149  -0.178
  138    HH   TYR  16           HH       TYR  16   6.318  11.318   2.030
  139    H    ALA  17           H        ALA  17   5.032  10.646  -5.329
  140    HA   ALA  17           HA       ALA  17   3.126  12.221  -4.015
  141   1HB   ALA  17          3HB       ALA  17   4.113  12.578  -6.838
  142   2HB   ALA  17          1HB       ALA  17   5.005  13.075  -5.399
  143   3HB   ALA  17          2HB       ALA  17   3.451  13.821  -5.775
  144   1HB   GLU  18          2HB       GLU  18   1.924   8.417  -8.060
  145   2HB   GLU  18          1HB       GLU  18   0.275   8.543  -8.660
  146   1HG   GLU  18          2HG       GLU  18   0.820  10.326 -10.090
  147   2HG   GLU  18          1HG       GLU  18   2.366  10.600  -9.288
  148    H    GLU  18           H        GLU  18   2.855  10.011  -6.704
  149    HA   GLU  18           HA       GLU  18   0.288  10.898  -7.587
  150    H    ALA  19           H        ALA  19   1.314   7.948  -5.886
  151    HA   ALA  19           HA       ALA  19  -1.104   6.872  -5.232
  152   1HB   ALA  19          1HB       ALA  19   0.410   5.457  -4.403
  153   2HB   ALA  19          2HB       ALA  19   0.380   6.451  -2.945
  154   3HB   ALA  19          3HB       ALA  19   1.602   6.740  -4.187
  155   1HB   LYS  20          2HB       LYS  20   1.202  10.669  -1.608
  156   2HB   LYS  20          1HB       LYS  20   0.447  11.949  -2.547
  157   1HG   LYS  20          2HG       LYS  20  -1.038  12.370  -0.548
  158   2HG   LYS  20          1HG       LYS  20   0.027  11.288   0.352
  159   1HD   LYS  20          2HD       LYS  20   1.943  12.749  -0.315
  160   2HD   LYS  20          1HD       LYS  20   0.772  13.875  -1.002
  161   1HE   LYS  20          2HE       LYS  20   0.423  14.777   0.995
  162   2HE   LYS  20          1HE       LYS  20  -0.040  13.207   1.647
  163    H    LYS  20           H        LYS  20   0.627   9.420  -3.495
  164    HA   LYS  20           HA       LYS  20  -1.132   9.683  -1.347
  165   1HZ   LYS  20          2HZ       LYS  20   2.559  12.898   1.676
  166   2HZ   LYS  20          1HZ       LYS  20   2.533  14.587   1.775
  167   3HZ   LYS  20          3HZ       LYS  20   1.745  13.657   2.949
  168    H    ALA  21           H        ALA  21  -1.046  11.309  -4.495
  169    HA   ALA  21           HA       ALA  21  -3.193  13.075  -4.009
  170   1HB   ALA  21          1HB       ALA  21  -2.751  13.825  -6.068
  171   2HB   ALA  21          3HB       ALA  21  -1.397  12.695  -6.054
  172   3HB   ALA  21          2HB       ALA  21  -2.931  12.224  -6.785
  173    H    VAL  22           H        VAL  22  -3.078   9.942  -5.692
  174    HA   VAL  22           HA       VAL  22  -5.735   9.675  -6.379
  175    HB   VAL  22           HB       VAL  22  -3.500   7.828  -5.871
  176   1HG1  VAL  22          2HG1      VAL  22  -5.215   6.827  -4.456
  177   2HG1  VAL  22          1HG1      VAL  22  -6.340   6.828  -5.815
  178   3HG1  VAL  22          3HG1      VAL  22  -4.886   5.828  -5.874
  179   1HG2  VAL  22          3HG2      VAL  22  -4.051   8.685  -8.089
  180   2HG2  VAL  22          2HG2      VAL  22  -4.201   6.928  -8.024
  181   3HG2  VAL  22          1HG2      VAL  22  -5.646   7.940  -7.986
  182   1HB   CYS  23          2HB       CYS  23  -3.754   9.275  -1.180
  183   2HB   CYS  23          1HB       CYS  23  -4.971   9.058   0.071
  184    H    CYS  23           H        CYS  23  -4.154   9.195  -3.303
  185    HA   CYS  23           HA       CYS  23  -6.300   7.932  -1.951
  186   1HB   GLU  24          2HB       GLU  24  -5.481  13.837  -2.112
  187   2HB   GLU  24          1HB       GLU  24  -6.282  14.445  -0.669
  188   1HG   GLU  24          2HG       GLU  24  -4.737  13.449   0.757
  189   2HG   GLU  24          1HG       GLU  24  -4.164  12.339  -0.487
  190    H    GLU  24           H        GLU  24  -5.035  11.232  -1.645
  191    HA   GLU  24           HA       GLU  24  -7.147  12.271  -0.145
  192   1HB   PHE  25          2HB       PHE  25  -7.333  11.974  -5.631
  193   2HB   PHE  25          1HB       PHE  25  -8.418  10.600  -5.681
  194    H    PHE  25           H        PHE  25  -7.210  11.191  -3.302
  195    HA   PHE  25           HA       PHE  25  -9.232  13.051  -4.230
  196    HD1  PHE  25           HD1      PHE  25  -8.119  14.166  -6.561
  197    HD2  PHE  25           HD2      PHE  25 -10.266  10.535  -7.128
  198    HE1  PHE  25           HE1      PHE  25  -9.341  15.186  -8.437
  199    HE2  PHE  25           HE2      PHE  25 -11.491  11.549  -9.006
  200    HZ   PHE  25           HZ       PHE  25 -11.029  13.876  -9.663
  201   1HB   GLU  26          2HB       GLU  26  -9.479   7.386  -2.913
  202   2HB   GLU  26          1HB       GLU  26 -11.128   6.821  -3.119
  203   1HG   GLU  26          2HG       GLU  26 -10.945   7.490  -5.535
  204   2HG   GLU  26          1HG       GLU  26  -9.224   7.743  -5.247
  205    H    GLU  26           H        GLU  26  -8.925   9.592  -3.584
  206    HA   GLU  26           HA       GLU  26 -11.733   9.116  -3.932
  207   1HA   GLY  27          1HA       GLY  27 -12.220  10.013   0.391
  208   2HA   GLY  27          2HA       GLY  27 -11.139  11.399   0.440
  209    H    GLY  27           H        GLY  27 -10.142  10.656  -1.562
  210   1HA   GLY  28          2HA       GLY  28  -8.128   8.323   2.042
  211   2HA   GLY  28          1HA       GLY  28  -8.386   9.611   3.214
  212    H    GLY  28           H        GLY  28  -8.756  10.768   0.728
  213   1HB   HIS  29          2HB       HIS  29  -2.896  10.794   3.630
  214   2HB   HIS  29          1HB       HIS  29  -4.339  11.696   3.179
  215    H    HIS  29           H        HIS  29  -5.957   8.552   3.255
  216    HA   HIS  29           HA       HIS  29  -4.194  10.072   1.510
  217    HD1  HIS  29           HD1      HIS  29  -6.399  11.498   4.714
  218    HD2  HIS  29           HD2      HIS  29  -3.108   9.313   6.003
  219    HE1  HIS  29           HE1      HIS  29  -6.927  10.818   7.077
  220    HE2  HIS  29           HE2      HIS  29  -4.962   9.418   7.804
  221   1HB   LEU  30          2HB       LEU  30   0.393   9.053   2.312
  222   2HB   LEU  30          1HB       LEU  30   0.969   7.399   2.295
  223    H    LEU  30           H        LEU  30  -1.849   9.527   1.997
  224    HA   LEU  30           HA       LEU  30  -1.485   6.754   1.845
  225    HG   LEU  30           HG       LEU  30  -0.339   8.877   0.013
  226   1HD1  LEU  30          3HD1      LEU  30   2.128   9.255   0.669
  227   2HD1  LEU  30          2HD1      LEU  30   2.385   7.633   0.026
  228   3HD1  LEU  30          1HD1      LEU  30   1.742   8.903  -1.016
  229   1HD2  LEU  30          2HD2      LEU  30  -0.510   6.161   0.527
  230   2HD2  LEU  30          1HD2      LEU  30  -0.763   6.958  -1.026
  231   3HD2  LEU  30          3HD2      LEU  30   0.823   6.304  -0.619
  232    H    ALA  31           H        ALA  31  -1.985   5.429   3.480
  233    HA   ALA  31           HA       ALA  31  -1.990   6.087   6.200
  234   1HB   ALA  31          2HB       ALA  31  -2.139   3.559   4.657
  235   2HB   ALA  31          1HB       ALA  31  -1.791   3.458   6.383
  236   3HB   ALA  31          3HB       ALA  31  -3.269   4.244   5.825
  237    H    THR  32           H        THR  32  -0.685   4.078   7.523
  238    HA   THR  32           HA       THR  32   2.162   4.546   6.942
  239    HB   THR  32           HB       THR  32   2.619   5.398   8.967
  240    HG1  THR  32           HG1      THR  32   2.332   4.047  10.561
  241   1HG2  THR  32          1HG2      THR  32  -0.377   5.723   8.931
  242   2HG2  THR  32          3HG2      THR  32   0.677   6.526  10.095
  243   3HG2  THR  32          2HG2      THR  32   0.839   6.873   8.373
  244   1HB   TYR  33          2HB       TYR  33   5.268   1.384   7.911
  245   2HB   TYR  33          1HB       TYR  33   4.917   1.144   9.617
  246    H    TYR  33           H        TYR  33   3.608   2.983   8.021
  247    HA   TYR  33           HA       TYR  33   2.976   0.354   7.450
  248    HD1  TYR  33           HD1      TYR  33   5.270  -0.672   6.392
  249    HD2  TYR  33           HD2      TYR  33   5.314  -0.924  10.639
  250    HE1  TYR  33           HE1      TYR  33   6.109  -2.977   6.241
  251    HE2  TYR  33           HE2      TYR  33   6.155  -3.230  10.499
  252    HH   TYR  33           HH       TYR  33   6.974  -4.813   9.140
  253   1HB   LYS  34          2HB       LYS  34   2.184   2.695  12.468
  254   2HB   LYS  34          1HB       LYS  34   1.021   1.839  13.466
  255   1HG   LYS  34          2HG       LYS  34   2.861   0.472  14.383
  256   2HG   LYS  34          1HG       LYS  34   4.003   1.430  13.438
  257   1HD   LYS  34          2HD       LYS  34   2.403   3.277  14.815
  258   2HD   LYS  34          1HD       LYS  34   2.804   2.017  15.983
  259   1HE   LYS  34          2HE       LYS  34   4.831   3.412  14.245
  260   2HE   LYS  34          1HE       LYS  34   4.435   3.909  15.891
  261    H    LYS  34           H        LYS  34   3.075   1.887  10.655
  262    HA   LYS  34           HA       LYS  34   2.226  -0.243  12.190
  263   1HZ   LYS  34          1HZ       LYS  34   5.130   1.719  16.667
  264   2HZ   LYS  34          3HZ       LYS  34   5.542   1.272  15.087
  265   3HZ   LYS  34          2HZ       LYS  34   6.391   2.511  15.865
  266   1HB   GLN  35          2HB       GLN  35  -1.557   2.594   8.730
  267   2HB   GLN  35          1HB       GLN  35  -3.147   2.509   9.465
  268   1HG   GLN  35          2HG       GLN  35  -2.193   3.768  11.422
  269   2HG   GLN  35          1HG       GLN  35  -0.752   4.028  10.442
  270   1HE2  GLN  35          1HE2      GLN  35  -3.219   5.635  11.516
  271   2HE2  GLN  35          2HE2      GLN  35  -3.610   6.645  10.170
  272    H    GLN  35           H        GLN  35   0.250   2.187  10.518
  273    HA   GLN  35           HA       GLN  35  -2.253   1.243  11.344
  274   1HB   LEU  36          2HB       LEU  36   0.798  -0.639   7.131
  275   2HB   LEU  36          1HB       LEU  36   0.752  -2.388   7.185
  276    H    LEU  36           H        LEU  36  -0.107   0.285   8.741
  277    HA   LEU  36           HA       LEU  36  -1.926  -1.372   7.347
  278    HG   LEU  36           HG       LEU  36   0.631  -1.125   4.896
  279   1HD1  LEU  36          2HD1      LEU  36  -0.954  -3.512   5.765
  280   2HD1  LEU  36          1HD1      LEU  36  -0.957  -2.976   4.085
  281   3HD1  LEU  36          3HD1      LEU  36   0.556  -3.450   4.856
  282   1HD2  LEU  36          1HD2      LEU  36  -1.530   0.046   5.968
  283   2HD2  LEU  36          3HD2      LEU  36  -1.329  -0.218   4.237
  284   3HD2  LEU  36          2HD2      LEU  36  -2.297  -1.340   5.193
  285   1HB   GLU  37          2HB       GLU  37   1.542  -3.205  11.641
  286   2HB   GLU  37          1HB       GLU  37   0.167  -2.611  12.556
  287   1HG   GLU  37          2HG       GLU  37  -0.244  -5.119  13.070
  288   2HG   GLU  37          1HG       GLU  37   1.448  -5.302  12.608
  289    H    GLU  37           H        GLU  37   0.102  -1.828  10.143
  290    HA   GLU  37           HA       GLU  37   0.019  -4.636  10.316
  291    H    ALA  38           H        ALA  38  -1.881  -2.192  12.045
  292    HA   ALA  38           HA       ALA  38  -3.677  -3.872  13.323
  293   1HB   ALA  38          3HB       ALA  38  -3.457  -1.428  13.717
  294   2HB   ALA  38          1HB       ALA  38  -5.128  -1.961  13.543
  295   3HB   ALA  38          2HB       ALA  38  -4.319  -1.145  12.205
  296    H    ALA  39           H        ALA  39  -3.548  -2.796  10.025
  297    HA   ALA  39           HA       ALA  39  -6.186  -3.594   9.280
  298   1HB   ALA  39          3HB       ALA  39  -3.770  -3.250   7.508
  299   2HB   ALA  39          1HB       ALA  39  -4.827  -1.935   8.024
  300   3HB   ALA  39          2HB       ALA  39  -5.462  -3.231   7.009
  301   1HB   ARG  40          2HB       ARG  40  -1.417  -6.677   8.480
  302   2HB   ARG  40          1HB       ARG  40  -1.637  -7.171  10.154
  303   1HG   ARG  40          2HG       ARG  40  -2.339  -9.379   8.548
  304   2HG   ARG  40          1HG       ARG  40  -0.826  -8.730   7.913
  305   1HD   ARG  40          2HD       ARG  40   0.095 -10.020   9.512
  306   2HD   ARG  40          1HD       ARG  40  -0.301  -8.652  10.551
  307   1HH1  ARG  40          1HH1      ARG  40  -0.542 -11.622   8.867
  308   2HH1  ARG  40          2HH1      ARG  40  -1.279 -13.134   9.278
  309   1HH2  ARG  40          2HH2      ARG  40  -3.001 -11.874  12.046
  310   2HH2  ARG  40          1HH2      ARG  40  -2.678 -13.277  11.085
  311    H    ARG  40           H        ARG  40  -3.096  -5.145   9.541
  312    HA   ARG  40           HA       ARG  40  -3.747  -7.471   8.010
  313    HE   ARG  40           HE       ARG  40  -2.027  -9.886  11.496
  314   1HB   LYS  41          2HB       LYS  41  -5.550  -6.232  13.140
  315   2HB   LYS  41          1HB       LYS  41  -5.946  -7.602  14.167
  316   1HG   LYS  41          2HG       LYS  41  -3.468  -7.908  14.515
  317   2HG   LYS  41          1HG       LYS  41  -3.254  -6.347  13.719
  318   1HD   LYS  41          2HD       LYS  41  -3.850  -5.231  15.556
  319   2HD   LYS  41          1HD       LYS  41  -5.285  -6.236  15.783
  320   1HE   LYS  41          2HE       LYS  41  -4.212  -7.697  17.175
  321   2HE   LYS  41          1HE       LYS  41  -2.636  -7.413  16.435
  322    H    LYS  41           H        LYS  41  -3.976  -6.544  11.383
  323    HA   LYS  41           HA       LYS  41  -4.392  -8.959  12.623
  324   1HZ   LYS  41          1HZ       LYS  41  -3.978  -5.312  18.017
  325   2HZ   LYS  41          3HZ       LYS  41  -3.046  -6.508  18.768
  326   3HZ   LYS  41          2HZ       LYS  41  -2.336  -5.467  17.640
  327   1HG1  ILE  42          2HG1      ILE  42  -8.547  -5.511   8.789
  328   2HG1  ILE  42          1HG1      ILE  42  -7.797  -7.063   8.428
  329    H    ILE  42           H        ILE  42  -6.642  -7.079  10.682
  330    HA   ILE  42           HA       ILE  42  -8.856  -8.849  11.272
  331    HB   ILE  42           HB       ILE  42 -10.214  -7.435   9.974
  332   1HG2  ILE  42          2HG2      ILE  42  -9.436  -6.430  12.069
  333   2HG2  ILE  42          1HG2      ILE  42  -8.103  -5.668  11.203
  334   3HG2  ILE  42          3HG2      ILE  42  -9.766  -5.209  10.840
  335   1HD1  ILE  42          2HD1      ILE  42 -10.682  -7.032   8.011
  336   2HD1  ILE  42          1HD1      ILE  42  -9.793  -5.899   6.991
  337   3HD1  ILE  42          3HD1      ILE  42  -9.386  -7.616   6.969
  338   1HA   GLY  43          1HA       GLY  43  -7.611 -10.704   7.347
  339   2HA   GLY  43          2HA       GLY  43  -5.881 -10.483   7.569
  340    H    GLY  43           H        GLY  43  -6.424  -8.434   8.819
  341   1HB   PHE  44          2HB       PHE  44  -5.634  -5.575   6.257
  342   2HB   PHE  44          1HB       PHE  44  -4.148  -6.060   5.449
  343    H    PHE  44           H        PHE  44  -5.537  -7.839   6.965
  344    HA   PHE  44           HA       PHE  44  -6.835  -7.078   4.547
  345    HD1  PHE  44           HD1      PHE  44  -6.798  -5.976   3.131
  346    HD2  PHE  44           HD2      PHE  44  -4.085  -3.461   5.240
  347    HE1  PHE  44           HE1      PHE  44  -7.136  -4.209   1.454
  348    HE2  PHE  44           HE2      PHE  44  -4.420  -1.692   3.566
  349    HZ   PHE  44           HZ       PHE  44  -5.948  -2.063   1.671
  350   1HB   HIS  45          2HB       HIS  45  -5.820 -11.425   2.772
  351   2HB   HIS  45          1HB       HIS  45  -6.628 -10.723   1.376
  352    H    HIS  45           H        HIS  45  -6.605  -8.985   3.259
  353    HA   HIS  45           HA       HIS  45  -3.951  -9.795   2.430
  354    HD1  HIS  45           HD1      HIS  45  -6.447 -13.225   0.432
  355    HD2  HIS  45           HD2      HIS  45  -2.865 -11.152   0.788
  356    HE1  HIS  45           HE1      HIS  45  -4.788 -14.492  -0.966
  357    HE2  HIS  45           HE2      HIS  45  -2.662 -13.156  -0.825
  358    H    VAL  46           H        VAL  46  -2.881  -8.711   0.938
  359    HA   VAL  46           HA       VAL  46  -4.052  -8.101  -1.603
  360    HB   VAL  46           HB       VAL  46  -4.839  -6.075  -0.927
  361   1HG1  VAL  46          3HG1      VAL  46  -3.322  -6.624   1.395
  362   2HG1  VAL  46          2HG1      VAL  46  -2.928  -4.984   0.882
  363   3HG1  VAL  46          1HG1      VAL  46  -4.607  -5.434   1.183
  364   1HG2  VAL  46          2HG2      VAL  46  -2.959  -5.712  -2.551
  365   2HG2  VAL  46          1HG2      VAL  46  -3.374  -4.312  -1.561
  366   3HG2  VAL  46          3HG2      VAL  46  -1.947  -5.275  -1.174
  367   1HB   CYS  47          2HB       CYS  47  -0.014  -9.486  -4.843
  368   2HB   CYS  47          1HB       CYS  47   0.393 -10.501  -3.464
  369    H    CYS  47           H        CYS  47  -2.500  -8.761  -2.926
  370    HA   CYS  47           HA       CYS  47   0.269  -8.740  -2.102
  371    H    ALA  48           H        ALA  48  -1.639  -6.392  -3.283
  372    HA   ALA  48           HA       ALA  48   0.335  -5.304  -5.146
  373   1HB   ALA  48          1HB       ALA  48  -2.277  -5.345  -5.474
  374   2HB   ALA  48          2HB       ALA  48  -1.303  -3.986  -6.041
  375   3HB   ALA  48          3HB       ALA  48  -2.191  -3.862  -4.521
  376    H    ALA  49           H        ALA  49   1.977  -4.587  -3.876
  377    HA   ALA  49           HA       ALA  49   1.966  -3.421  -1.429
  378   1HB   ALA  49          3HB       ALA  49   4.120  -3.500  -1.987
  379   2HB   ALA  49          2HB       ALA  49   3.751  -3.423  -3.711
  380   3HB   ALA  49          1HB       ALA  49   3.877  -1.937  -2.768
  381   1HA   GLY  50          2HA       GLY  50  -0.347   0.196  -0.734
  382   2HA   GLY  50          1HA       GLY  50   0.297   0.535  -2.332
  383    H    GLY  50           H        GLY  50   1.356  -1.546  -0.524
  384   1HB   TRP  51          2HB       TRP  51   1.738   4.719  -2.491
  385   2HB   TRP  51          1HB       TRP  51   3.146   5.393  -1.674
  386    H    TRP  51           H        TRP  51   1.363   2.387  -2.401
  387    HA   TRP  51           HA       TRP  51   3.612   2.987  -0.889
  388    HD1  TRP  51           HD1      TRP  51   2.144   3.342  -4.698
  389    HE1  TRP  51           HE1      TRP  51   4.223   2.939  -6.174
  390    HE3  TRP  51           HE3      TRP  51   5.747   5.112  -1.530
  391    HZ2  TRP  51           HZ2      TRP  51   7.015   3.333  -6.014
  392    HZ3  TRP  51           HZ3      TRP  51   8.094   5.064  -2.267
  393    HH2  TRP  51           HH2      TRP  51   8.713   4.193  -4.462
  394   1HB   MET  52          2HB       MET  52   2.699   4.318   4.479
  395   2HB   MET  52          1HB       MET  52   1.753   3.303   3.399
  396   1HG   MET  52          2HG       MET  52   3.802   2.373   2.465
  397   2HG   MET  52          1HG       MET  52   4.757   3.399   3.532
  398    H    MET  52           H        MET  52   4.014   4.239   0.903
  399    HA   MET  52           HA       MET  52   1.756   5.396   2.349
  400   1HE   MET  52          1HE       MET  52   3.856   0.116   2.855
  401   2HE   MET  52          3HE       MET  52   5.408   0.240   3.682
  402   3HE   MET  52          2HE       MET  52   4.112  -0.731   4.382
  403    H    ALA  53           H        ALA  53   2.970   6.084   4.677
  404    HA   ALA  53           HA       ALA  53   4.333   8.407   4.088
  405   1HB   ALA  53          2HB       ALA  53   5.078   8.358   6.478
  406   2HB   ALA  53          3HB       ALA  53   4.378   6.744   6.597
  407   3HB   ALA  53          1HB       ALA  53   3.346   8.129   6.237
  408   1HB   LYS  54          2HB       LYS  54   8.113   6.330   5.364
  409   2HB   LYS  54          1HB       LYS  54   9.670   6.417   4.554
  410   1HG   LYS  54          2HG       LYS  54  10.189   8.451   5.865
  411   2HG   LYS  54          1HG       LYS  54   8.671   8.232   6.736
  412   1HD   LYS  54          2HD       LYS  54   9.678   6.837   8.138
  413   2HD   LYS  54          1HD       LYS  54  10.061   5.762   6.791
  414   1HE   LYS  54          2HE       LYS  54  12.120   6.959   6.373
  415   2HE   LYS  54          1HE       LYS  54  11.724   8.135   7.626
  416    H    LYS  54           H        LYS  54   6.518   9.051   4.285
  417    HA   LYS  54           HA       LYS  54   8.771   8.893   4.023
  418   1HZ   LYS  54          1HZ       LYS  54  12.212   5.240   8.074
  419   2HZ   LYS  54          3HZ       LYS  54  13.304   6.486   8.415
  420   3HZ   LYS  54          2HZ       LYS  54  11.850   6.376   9.273
  421   1HA   GLY  55          1HA       GLY  55   8.330   6.860   0.059
  422   2HA   GLY  55          2HA       GLY  55   6.606   6.509   0.072
  423    H    GLY  55           H        GLY  55   6.561   6.971   2.362
  424   1HB   ARG  56          2HB       ARG  56   8.062   3.145   3.856
  425   2HB   ARG  56          1HB       ARG  56   6.532   2.309   3.627
  426   1HG   ARG  56          2HG       ARG  56   7.669   0.254   3.119
  427   2HG   ARG  56          1HG       ARG  56   9.235   1.068   3.164
  428   1HD   ARG  56          2HD       ARG  56   7.423   1.130   5.545
  429   2HD   ARG  56          1HD       ARG  56   8.437  -0.278   5.233
  430   1HH1  ARG  56          2HH1      ARG  56   8.300   0.070   7.408
  431   2HH1  ARG  56          1HH1      ARG  56   9.345   0.475   8.728
  432   1HH2  ARG  56          2HH2      ARG  56  11.392   2.590   6.839
  433   2HH2  ARG  56          1HH2      ARG  56  11.102   1.909   8.405
  434    H    ARG  56           H        ARG  56   6.826   4.671   2.339
  435    HA   ARG  56           HA       ARG  56   8.535   2.526   1.394
  436    HE   ARG  56           HE       ARG  56  10.009   2.050   5.107
  437    H    VAL  57           H        VAL  57   7.777   0.460   0.763
  438    HA   VAL  57           HA       VAL  57   4.941   0.336   0.000
  439    HB   VAL  57           HB       VAL  57   5.332   0.098  -2.186
  440   1HG1  VAL  57          2HG1      VAL  57   8.100   0.964  -1.369
  441   2HG1  VAL  57          1HG1      VAL  57   7.506   0.963  -3.030
  442   3HG1  VAL  57          3HG1      VAL  57   6.745   1.998  -1.823
  443   1HG2  VAL  57          3HG2      VAL  57   7.565  -1.742  -1.373
  444   2HG2  VAL  57          2HG2      VAL  57   6.010  -2.153  -2.096
  445   3HG2  VAL  57          1HG2      VAL  57   7.243  -1.338  -3.059
  446   1HA   GLY  58          2HA       GLY  58   4.873  -3.509   1.974
  447   2HA   GLY  58          1HA       GLY  58   5.412  -4.092   0.406
  448    H    GLY  58           H        GLY  58   3.977  -1.644   0.143
  449   1HB   TYR  59          2HB       TYR  59   1.079  -7.327  -0.974
  450   2HB   TYR  59          1HB       TYR  59   1.526  -5.720  -1.544
  451    H    TYR  59           H        TYR  59   3.972  -5.920   1.011
  452    HA   TYR  59           HA       TYR  59   1.127  -5.334   0.708
  453    HD1  TYR  59           HD1      TYR  59   3.944  -5.183  -1.931
  454    HD2  TYR  59           HD2      TYR  59   2.616  -9.145  -1.089
  455    HE1  TYR  59           HE1      TYR  59   6.054  -6.075  -2.820
  456    HE2  TYR  59           HE2      TYR  59   4.720 -10.041  -1.987
  457    HH   TYR  59           HH       TYR  59   6.856  -9.482  -2.582
  458   1HB   PRO  60          2HB       PRO  60  -0.790  -7.922   5.106
  459   2HB   PRO  60          1HB       PRO  60   0.702  -7.083   5.531
  460   1HG   PRO  60          2HG       PRO  60  -1.493  -6.237   3.697
  461   2HG   PRO  60          1HG       PRO  60  -0.554  -5.269   4.845
  462   1HD   PRO  60          1HD       PRO  60  -0.068  -5.235   2.189
  463   2HD   PRO  60          2HD       PRO  60   1.220  -5.034   3.391
  464    HA   PRO  60           HA       PRO  60   1.659  -8.476   3.991
  465   1HG1  ILE  61          1HG1      ILE  61   1.090 -10.080   0.818
  466   2HG1  ILE  61          2HG1      ILE  61   2.398 -11.253   0.709
  467    H    ILE  61           H        ILE  61   1.377 -10.447   3.125
  468    HA   ILE  61           HA       ILE  61  -1.233 -11.080   1.924
  469    HB   ILE  61           HB       ILE  61   1.097 -12.889   1.542
  470   1HG2  ILE  61          3HG2      ILE  61  -1.400 -12.984   0.646
  471   2HG2  ILE  61          2HG2      ILE  61  -0.704 -11.973  -0.621
  472   3HG2  ILE  61          1HG2      ILE  61  -0.039 -13.576  -0.307
  473   1HD1  ILE  61          3HD1      ILE  61   0.190 -11.002  -1.315
  474   2HD1  ILE  61          2HD1      ILE  61   1.751 -10.189  -1.446
  475   3HD1  ILE  61          1HD1      ILE  61   1.673 -11.952  -1.450
  476    H    VAL  62           H        VAL  62  -2.538 -12.420   2.949
  477    HA   VAL  62           HA       VAL  62  -1.470 -14.016   5.171
  478    HB   VAL  62           HB       VAL  62  -4.391 -13.540   4.643
  479   1HG1  VAL  62          2HG1      VAL  62  -2.727 -14.548   6.888
  480   2HG1  VAL  62          1HG1      VAL  62  -4.195 -13.653   7.280
  481   3HG1  VAL  62          3HG1      VAL  62  -4.289 -15.112   6.293
  482   1HG2  VAL  62          3HG2      VAL  62  -2.488 -11.740   6.136
  483   2HG2  VAL  62          2HG2      VAL  62  -3.434 -11.338   4.703
  484   3HG2  VAL  62          1HG2      VAL  62  -4.246 -11.640   6.240
  485   1HB   LYS  63          2HB       LYS  63  -5.221 -15.475   1.792
  486   2HB   LYS  63          1HB       LYS  63  -4.656 -15.830   0.167
  487   1HG   LYS  63          2HG       LYS  63  -6.322 -17.417   0.614
  488   2HG   LYS  63          1HG       LYS  63  -4.795 -18.280   0.807
  489   1HD   LYS  63          2HD       LYS  63  -4.937 -18.170   3.179
  490   2HD   LYS  63          1HD       LYS  63  -6.285 -17.035   3.108
  491   1HE   LYS  63          2HE       LYS  63  -7.699 -18.741   3.172
  492   2HE   LYS  63          1HE       LYS  63  -7.053 -19.312   1.636
  493    H    LYS  63           H        LYS  63  -2.944 -14.217   2.058
  494    HA   LYS  63           HA       LYS  63  -3.160 -17.142   2.352
  495   1HZ   LYS  63          3HZ       LYS  63  -5.839 -19.979   4.257
  496   2HZ   LYS  63          2HZ       LYS  63  -6.986 -20.957   3.489
  497   3HZ   LYS  63          1HZ       LYS  63  -5.490 -20.671   2.754
  498   1HB   PRO  64          2HB       PRO  64   0.975 -19.292  -0.429
  499   2HB   PRO  64          1HB       PRO  64   1.609 -18.034   0.633
  500   1HG   PRO  64          2HG       PRO  64  -0.584 -19.998   1.113
  501   2HG   PRO  64          1HG       PRO  64   0.654 -19.400   2.231
  502   1HD   PRO  64          2HD       PRO  64  -1.890 -18.513   2.301
  503   2HD   PRO  64          1HD       PRO  64  -0.512 -17.458   2.683
  504    HA   PRO  64           HA       PRO  64   0.301 -16.618  -0.575
  505   1HA   GLY  65          2HA       GLY  65  -1.824 -17.914  -4.123
  506   2HA   GLY  65          1HA       GLY  65  -0.710 -19.271  -4.049
  507    H    GLY  65           H        GLY  65   0.479 -17.103  -2.730
  508   1HB   PRO  66          2HB       PRO  66  -1.064 -17.673  -9.197
  509   2HB   PRO  66          1HB       PRO  66   0.398 -18.609  -9.522
  510   1HG   PRO  66          2HG       PRO  66  -1.836 -19.803  -8.678
  511   2HG   PRO  66          1HG       PRO  66  -0.241 -20.342  -8.121
  512   1HD   PRO  66          2HD       PRO  66  -2.296 -18.702  -6.698
  513   2HD   PRO  66          1HD       PRO  66  -1.211 -19.955  -6.060
  514    HA   PRO  66           HA       PRO  66   1.440 -17.882  -7.612
  515   1HB   ASN  67          2HB       ASN  67   0.633 -14.386 -10.161
  516   2HB   ASN  67          1HB       ASN  67  -0.427 -13.439  -9.120
  517   1HD2  ASN  67          1HD2      ASN  67   2.175 -13.372 -11.375
  518   2HD2  ASN  67          2HD2      ASN  67   2.269 -11.655 -11.543
  519    H    ASN  67           H        ASN  67   2.248 -15.943  -8.101
  520    HA   ASN  67           HA       ASN  67   2.458 -13.696  -8.376
  521   1HB   CYS  68          2HB       CYS  68  -1.324 -13.233  -5.344
  522   2HB   CYS  68          1HB       CYS  68  -1.090 -14.526  -4.173
  523    H    CYS  68           H        CYS  68   1.570 -14.779  -5.811
  524    HA   CYS  68           HA       CYS  68   0.911 -12.299  -4.541
  525   1HA   GLY  69          2HA       GLY  69   2.556 -14.507  -1.175
  526   2HA   GLY  69          1HA       GLY  69   3.779 -13.256  -1.358
  527    H    GLY  69           H        GLY  69   2.846 -12.691  -3.439
  528   1HB   PHE  70          2HB       PHE  70   7.786 -14.363  -1.456
  529   2HB   PHE  70          1HB       PHE  70   8.497 -15.970  -1.372
  530    H    PHE  70           H        PHE  70   5.690 -14.248  -1.234
  531    HA   PHE  70           HA       PHE  70   6.425 -16.140  -3.272
  532    HD1  PHE  70           HD1      PHE  70   7.730 -13.150  -3.611
  533    HD2  PHE  70           HD2      PHE  70   9.802 -16.838  -3.146
  534    HE1  PHE  70           HE1      PHE  70   8.992 -12.696  -5.673
  535    HE2  PHE  70           HE2      PHE  70  11.069 -16.390  -5.207
  536    HZ   PHE  70           HZ       PHE  70  10.664 -14.317  -6.474
  537   1HA   GLY  71          1HA       GLY  71   6.033 -19.137   0.116
  538   2HA   GLY  71          2HA       GLY  71   4.294 -18.965  -0.091
  539    H    GLY  71           H        GLY  71   4.810 -16.508  -0.452
  540   1HB   LYS  72          2HB       LYS  72   7.089 -15.313   2.976
  541   2HB   LYS  72          1HB       LYS  72   6.368 -14.914   4.530
  542   1HG   LYS  72          2HG       LYS  72   8.162 -15.999   5.333
  543   2HG   LYS  72          1HG       LYS  72   7.176 -17.430   5.027
  544   1HD   LYS  72          2HD       LYS  72   8.224 -17.585   2.770
  545   2HD   LYS  72          1HD       LYS  72   9.300 -16.265   3.232
  546   1HE   LYS  72          2HE       LYS  72   9.082 -18.746   4.899
  547   2HE   LYS  72          1HE       LYS  72  10.142 -18.684   3.492
  548    H    LYS  72           H        LYS  72   5.822 -16.318   1.416
  549    HA   LYS  72           HA       LYS  72   5.286 -17.365   4.100
  550   1HZ   LYS  72          1HZ       LYS  72  10.467 -16.409   5.189
  551   2HZ   LYS  72          3HZ       LYS  72  10.764 -17.855   6.016
  552   3HZ   LYS  72          2HZ       LYS  72  11.629 -17.492   4.608
  553    H    THR  73           H        THR  73   4.168 -16.011   5.655
  554    HA   THR  73           HA       THR  73   2.098 -14.354   4.369
  555    HB   THR  73           HB       THR  73   0.605 -14.929   6.196
  556    HG1  THR  73           HG1      THR  73   1.316 -16.460   7.777
  557   1HG2  THR  73          1HG2      THR  73   0.745 -16.446   4.240
  558   2HG2  THR  73          3HG2      THR  73   1.916 -17.428   5.121
  559   3HG2  THR  73          2HG2      THR  73   0.264 -17.278   5.720
  560   1HA   GLY  74          2HA       GLY  74   3.734 -11.308   7.065
  561   2HA   GLY  74          1HA       GLY  74   2.033 -10.860   7.073
  562    H    GLY  74           H        GLY  74   2.049 -12.262   4.863
  563   1HG1  ILE  75          1HG1      ILE  75   1.952  -5.452   5.570
  564   2HG1  ILE  75          2HG1      ILE  75   1.808  -6.411   7.039
  565    H    ILE  75           H        ILE  75   3.255  -8.695   7.079
  566    HA   ILE  75           HA       ILE  75   2.800  -7.396   4.658
  567    HB   ILE  75           HB       ILE  75   4.229  -6.647   7.165
  568   1HG2  ILE  75          2HG2      ILE  75   4.498  -5.233   4.536
  569   2HG2  ILE  75          1HG2      ILE  75   4.594  -4.353   6.062
  570   3HG2  ILE  75          3HG2      ILE  75   5.748  -5.639   5.713
  571   1HD1  ILE  75          1HD1      ILE  75   3.081  -4.620   8.226
  572   2HD1  ILE  75          3HD1      ILE  75   2.948  -3.649   6.760
  573   3HD1  ILE  75          2HD1      ILE  75   1.493  -4.141   7.627
  574   1HG1  ILE  76          2HG1      ILE  76   3.900  -9.437   2.226
  575   2HG1  ILE  76          1HG1      ILE  76   3.738  -9.791   0.510
  576    H    ILE  76           H        ILE  76   3.850  -7.585   2.807
  577    HA   ILE  76           HA       ILE  76   6.647  -8.435   2.798
  578    HB   ILE  76           HB       ILE  76   5.075  -7.965   0.300
  579   1HG2  ILE  76          2HG2      ILE  76   7.507  -8.558   0.314
  580   2HG2  ILE  76          1HG2      ILE  76   7.053 -10.122   0.992
  581   3HG2  ILE  76          3HG2      ILE  76   6.473  -9.654  -0.606
  582   1HD1  ILE  76          3HD1      ILE  76   6.049 -11.030   1.823
  583   2HD1  ILE  76          2HD1      ILE  76   4.467 -11.592   2.364
  584   3HD1  ILE  76          1HD1      ILE  76   4.903 -11.692   0.657
  585   1HB   ASP  77          2HB       ASP  77   6.566  -3.200   3.024
  586   2HB   ASP  77          1HB       ASP  77   7.273  -4.138   4.335
  587    H    ASP  77           H        ASP  77   7.610  -6.481   3.476
  588    HA   ASP  77           HA       ASP  77   7.647  -4.402   1.393
  589   1HB   TYR  78          2HB       TYR  78  11.088  -5.226  -0.859
  590   2HB   TYR  78          1HB       TYR  78  12.513  -4.204  -0.699
  591    H    TYR  78           H        TYR  78   9.570  -4.420   0.456
  592    HA   TYR  78           HA       TYR  78  11.896  -5.448   1.828
  593    HD1  TYR  78           HD1      TYR  78  14.621  -5.236   0.285
  594    HD2  TYR  78           HD2      TYR  78  11.298  -7.559  -1.003
  595    HE1  TYR  78           HE1      TYR  78  16.066  -7.221   0.155
  596    HE2  TYR  78           HE2      TYR  78  12.734  -9.551  -1.136
  597    HH   TYR  78           HH       TYR  78  14.980 -10.284   0.047
  598   1HA   GLY  79          2HA       GLY  79  12.889  -1.345   3.096
  599   2HA   GLY  79          1HA       GLY  79  11.241  -0.804   3.402
  600    H    GLY  79           H        GLY  79  10.474  -2.743   2.397
  601   1HG1  ILE  80          1HG1      ILE  80  11.427   2.832   3.069
  602   2HG1  ILE  80          2HG1      ILE  80  12.307   4.328   3.356
  603    H    ILE  80           H        ILE  80  12.238   1.297   2.771
  604    HA   ILE  80           HA       ILE  80  11.345   2.189   0.333
  605    HB   ILE  80           HB       ILE  80  13.698   3.371   1.800
  606   1HG2  ILE  80          2HG2      ILE  80  11.625   4.611  -0.006
  607   2HG2  ILE  80          1HG2      ILE  80  12.890   5.488   0.852
  608   3HG2  ILE  80          3HG2      ILE  80  13.318   4.324  -0.402
  609   1HD1  ILE  80          1HD1      ILE  80  10.828   5.481   1.779
  610   2HD1  ILE  80          3HD1      ILE  80   9.929   3.982   1.547
  611   3HD1  ILE  80          2HD1      ILE  80   9.947   4.765   3.128
  612   1HB   ARG  81          2HB       ARG  81  12.838   2.149  -4.360
  613   2HB   ARG  81          1HB       ARG  81  13.835   0.704  -4.473
  614   1HG   ARG  81          2HG       ARG  81  11.532   0.752  -2.580
  615   2HG   ARG  81          1HG       ARG  81  11.245   0.509  -4.304
  616   1HD   ARG  81          2HD       ARG  81  13.234  -1.124  -2.748
  617   2HD   ARG  81          1HD       ARG  81  11.536  -1.578  -2.883
  618   1HH1  ARG  81          2HH1      ARG  81  11.974  -3.435  -2.986
  619   2HH1  ARG  81          1HH1      ARG  81  12.101  -4.785  -4.063
  620   1HH2  ARG  81          2HH2      ARG  81  13.054  -2.860  -6.824
  621   2HH2  ARG  81          1HH2      ARG  81  12.717  -4.458  -6.246
  622    H    ARG  81           H        ARG  81  12.191   2.448  -1.692
  623    HA   ARG  81           HA       ARG  81  14.604   0.907  -2.276
  624    HE   ARG  81           HE       ARG  81  12.881  -1.091  -5.396
  625   1HB   LEU  82          2HB       LEU  82  17.238   3.691  -2.415
  626   2HB   LEU  82          1HB       LEU  82  17.542   5.231  -3.192
  627    H    LEU  82           H        LEU  82  14.358   3.781  -1.183
  628    HA   LEU  82           HA       LEU  82  15.493   5.743  -1.360
  629    HG   LEU  82           HG       LEU  82  19.023   4.913  -1.288
  630   1HD1  LEU  82          2HD1      LEU  82  17.596   7.160  -1.856
  631   2HD1  LEU  82          1HD1      LEU  82  17.270   6.955  -0.135
  632   3HD1  LEU  82          3HD1      LEU  82  18.933   7.076  -0.708
  633   1HD2  LEU  82          3HD2      LEU  82  16.730   3.814  -0.079
  634   2HD2  LEU  82          2HD2      LEU  82  18.354   3.954   0.594
  635   3HD2  LEU  82          1HD2      LEU  82  17.174   5.236   0.865
  636   1HB   ASN  83          2HB       ASN  83  15.137   5.111  -6.112
  637   2HB   ASN  83          1HB       ASN  83  13.589   4.878  -6.921
  638   1HD2  ASN  83          2HD2      ASN  83  16.503   6.351  -7.148
  639   2HD2  ASN  83          1HD2      ASN  83  16.102   7.629  -8.239
  640    H    ASN  83           H        ASN  83  13.510   4.788  -3.523
  641    HA   ASN  83           HA       ASN  83  13.652   7.176  -5.091
  642   1HB   ARG  84          2HB       ARG  84   9.112   8.822  -5.293
  643   2HB   ARG  84          1HB       ARG  84   8.051   7.766  -4.371
  644   1HG   ARG  84          2HG       ARG  84  10.792   8.647  -3.492
  645   2HG   ARG  84          1HG       ARG  84   9.273   9.379  -2.973
  646   1HD   ARG  84          2HD       ARG  84   8.591   7.100  -2.143
  647   2HD   ARG  84          1HD       ARG  84  10.248   6.580  -2.446
  648   1HH1  ARG  84          1HH1      ARG  84  12.045   7.655  -2.353
  649   2HH1  ARG  84          2HH1      ARG  84  13.203   8.219  -1.195
  650   1HH2  ARG  84          2HH2      ARG  84  10.836   8.856   1.296
  651   2HH2  ARG  84          1HH2      ARG  84  12.516   8.901   0.878
  652    H    ARG  84           H        ARG  84  11.596   7.773  -4.934
  653    HA   ARG  84           HA       ARG  84   9.449   5.899  -4.683
  654    HE   ARG  84           HE       ARG  84   9.317   8.110  -0.236
  655   1HB   SER  85          2HB       SER  85  11.985   6.528  -9.146
  656   2HB   SER  85          1HB       SER  85  11.374   5.462 -10.411
  657    H    SER  85           H        SER  85  11.106   5.967  -7.205
  658    HA   SER  85           HA       SER  85   9.133   6.732  -9.208
  659    HG   SER  85           HG       SER  85  10.001   7.521 -10.838
  660   1HB   GLU  86          2HB       GLU  86   8.074   1.705  -6.449
  661   2HB   GLU  86          1HB       GLU  86   9.171   0.635  -7.309
  662   1HG   GLU  86          2HG       GLU  86  10.071   3.257  -6.169
  663   2HG   GLU  86          1HG       GLU  86  10.051   1.770  -5.221
  664    H    GLU  86           H        GLU  86   9.408   4.173  -7.290
  665    HA   GLU  86           HA       GLU  86   9.301   1.999  -9.139
  666   1HB   ARG  87          2HB       ARG  87   4.338   0.780 -11.397
  667   2HB   ARG  87          1HB       ARG  87   6.064   1.035 -11.603
  668   1HG   ARG  87          2HG       ARG  87   6.056  -1.269 -10.182
  669   2HG   ARG  87          1HG       ARG  87   4.568  -1.435 -11.115
  670   1HD   ARG  87          2HD       ARG  87   5.949  -0.810 -13.151
  671   2HD   ARG  87          1HD       ARG  87   7.370  -1.046 -12.135
  672   1HH1  ARG  87          1HH1      ARG  87   8.392  -1.814 -13.521
  673   2HH1  ARG  87          2HH1      ARG  87   9.008  -3.302 -14.159
  674   1HH2  ARG  87          2HH2      ARG  87   6.309  -5.229 -13.054
  675   2HH2  ARG  87          1HH2      ARG  87   7.823  -5.244 -13.894
  676    H    ARG  87           H        ARG  87   7.402   0.532  -9.278
  677    HA   ARG  87           HA       ARG  87   4.938   2.106  -9.562
  678    HE   ARG  87           HE       ARG  87   5.507  -3.264 -12.217
  679   1HB   TRP  88          2HB       TRP  88   3.816   1.079  -5.444
  680   2HB   TRP  88          1HB       TRP  88   2.797  -0.240  -4.883
  681    H    TRP  88           H        TRP  88   3.360   1.682  -8.184
  682    HA   TRP  88           HA       TRP  88   2.795  -1.027  -7.339
  683    HD1  TRP  88           HD1      TRP  88   6.252   0.603  -4.983
  684    HE1  TRP  88           HE1      TRP  88   7.775  -1.471  -4.957
  685    HE3  TRP  88           HE3      TRP  88   2.794  -2.944  -6.223
  686    HZ2  TRP  88           HZ2      TRP  88   7.533  -4.253  -5.398
  687    HZ3  TRP  88           HZ3      TRP  88   3.518  -5.288  -6.401
  688    HH2  TRP  88           HH2      TRP  88   5.840  -5.928  -5.999
  689   1HB   ASP  89          2HB       ASP  89  -0.845  -0.844  -4.343
  690   2HB   ASP  89          1HB       ASP  89  -2.249   0.213  -4.468
  691    H    ASP  89           H        ASP  89   1.358   0.071  -4.971
  692    HA   ASP  89           HA       ASP  89  -0.883   1.361  -6.380
  693    H    ALA  90           H        ALA  90  -2.064   1.280  -3.476
  694    HA   ALA  90           HA       ALA  90  -0.463   3.117  -2.002
  695   1HB   ALA  90          2HB       ALA  90  -1.078   4.771  -3.542
  696   2HB   ALA  90          3HB       ALA  90  -2.155   5.010  -2.163
  697   3HB   ALA  90          1HB       ALA  90  -2.748   4.204  -3.616
  698   1HB   TYR  91          2HB       TYR  91  -0.751   1.785   2.084
  699   2HB   TYR  91          1HB       TYR  91  -2.160   1.444   3.082
  700    H    TYR  91           H        TYR  91  -0.894   2.680   0.036
  701    HA   TYR  91           HA       TYR  91  -3.399   1.400   0.752
  702    HD1  TYR  91           HD1      TYR  91  -3.677  -0.513   1.724
  703    HD2  TYR  91           HD2      TYR  91   0.554  -0.094   1.831
  704    HE1  TYR  91           HE1      TYR  91  -3.436  -2.913   1.257
  705    HE2  TYR  91           HE2      TYR  91   0.809  -2.494   1.362
  706    HH   TYR  91           HH       TYR  91  -1.518  -4.702   1.746
  707   1HB   CYS  92          2HB       CYS  92  -6.824   4.450   0.602
  708   2HB   CYS  92          1HB       CYS  92  -6.758   6.116   1.156
  709    H    CYS  92           H        CYS  92  -4.600   3.418   0.260
  710    HA   CYS  92           HA       CYS  92  -4.336   5.796   1.653
  711   1HB   TYR  93          2HB       TYR  93  -4.693   4.825   5.752
  712   2HB   TYR  93          1HB       TYR  93  -4.880   6.540   6.107
  713    H    TYR  93           H        TYR  93  -6.004   6.639   3.236
  714    HA   TYR  93           HA       TYR  93  -7.127   4.781   5.106
  715    HD1  TYR  93           HD1      TYR  93  -7.352   6.776   7.526
  716    HD2  TYR  93           HD2      TYR  93  -4.480   3.643   7.724
  717    HE1  TYR  93           HE1      TYR  93  -8.124   6.224   9.794
  718    HE2  TYR  93           HE2      TYR  93  -5.243   3.081   9.994
  719    HH   TYR  93           HH       TYR  93  -7.890   3.689  11.249
  720   1HB   ASN  94          2HB       ASN  94  -9.169   8.829   4.391
  721   2HB   ASN  94          1HB       ASN  94 -10.479   7.664   4.215
  722   1HD2  ASN  94          1HD2      ASN  94 -11.217   9.856   3.220
  723   2HD2  ASN  94          2HD2      ASN  94 -12.184  10.829   4.270
  724    H    ASN  94           H        ASN  94  -8.894   5.677   5.931
  725    HA   ASN  94           HA       ASN  94  -9.046   8.380   6.781
  726   1HB   PRO  95          2HB       PRO  95 -12.733   8.055  10.805
  727   2HB   PRO  95          1HB       PRO  95 -11.276   7.070  10.969
  728   1HG   PRO  95          2HG       PRO  95 -11.597   9.805   9.794
  729   2HG   PRO  95          1HG       PRO  95 -10.324   9.189  10.864
  730   1HD   PRO  95          2HD       PRO  95  -9.978   9.447   8.195
  731   2HD   PRO  95          1HD       PRO  95  -9.196   8.161   9.138
  732    HA   PRO  95           HA       PRO  95 -12.092   6.051   9.079
  733   1HB   HIS  96          2HB       HIS  96 -14.484  10.704   7.567
  734   2HB   HIS  96          1HB       HIS  96 -13.721  10.598   5.982
  735    H    HIS  96           H        HIS  96 -12.533   8.445   6.863
  736    HA   HIS  96           HA       HIS  96 -15.451   8.468   7.263
  737    HD1  HIS  96           HD1      HIS  96 -17.160  10.791   7.549
  738    HD2  HIS  96           HD2      HIS  96 -15.287  11.396   3.890
  739    HE1  HIS  96           HE1      HIS  96 -18.906  11.827   6.063
  740    HE2  HIS  96           HE2      HIS  96 -17.772  12.110   3.831
  741    H    ALA  97           H        ALA  97 -12.961   7.327   5.393
  742    HA   ALA  97           HA       ALA  97 -14.228   7.495   2.812
  743   1HB   ALA  97          1HB       ALA  97 -12.129   5.484   3.125
  744   2HB   ALA  97          3HB       ALA  97 -12.249   6.835   1.998
  745   3HB   ALA  97          2HB       ALA  97 -11.650   7.103   3.635
  746   1HB   LYS  98          2HB       LYS  98 -17.923   5.610   5.358
  747   2HB   LYS  98          1HB       LYS  98 -18.541   3.995   5.036
  748   1HG   LYS  98          2HG       LYS  98 -15.997   3.912   6.412
  749   2HG   LYS  98          1HG       LYS  98 -17.204   4.837   7.307
  750   1HD   LYS  98          2HD       LYS  98 -17.947   2.869   8.059
  751   2HD   LYS  98          1HD       LYS  98 -18.613   2.631   6.442
  752   1HE   LYS  98          2HE       LYS  98 -17.375   0.692   6.831
  753   2HE   LYS  98          1HE       LYS  98 -16.309   1.686   5.839
  754    H    LYS  98           H        LYS  98 -16.161   6.481   4.263
  755    HA   LYS  98           HA       LYS  98 -16.076   3.571   4.191
  756   1HZ   LYS  98          2HZ       LYS  98 -15.815   2.332   8.502
  757   2HZ   LYS  98          1HZ       LYS  98 -15.842   0.644   8.407
  758   3HZ   LYS  98          3HZ       LYS  98 -14.790   1.530   7.421

  No H/Q in entry =         758
  Start of MODEL   15
    1   1HA   GLY   1          2HA       GLY   1 -10.050   1.392   8.054
    2   2HA   GLY   1          1HA       GLY   1  -8.724   2.162   8.911
    3    H1   GLY   1          2H        GLY   1  -9.793   4.312   7.920
    4    H2   GLY   1          1H        GLY   1 -11.183   3.350   7.849
    5    H3   GLY   1          3H        GLY   1 -10.409   3.613   9.332
    6    H    VAL   2           H        VAL   2  -7.047   1.478   7.665
    7    HA   VAL   2           HA       VAL   2  -6.567   2.869   5.226
    8    HB   VAL   2           HB       VAL   2  -4.615   2.464   6.414
    9   1HG1  VAL   2          3HG1      VAL   2  -5.995   0.258   7.430
   10   2HG1  VAL   2          2HG1      VAL   2  -4.542  -0.400   6.680
   11   3HG1  VAL   2          1HG1      VAL   2  -4.407   0.847   7.922
   12   1HG2  VAL   2          1HG2      VAL   2  -4.779   1.503   3.898
   13   2HG2  VAL   2          3HG2      VAL   2  -3.284   1.570   4.830
   14   3HG2  VAL   2          2HG2      VAL   2  -4.207   0.069   4.751
   15   1HB   TYR   3          2HB       TYR   3  -9.111   0.292   0.874
   16   2HB   TYR   3          1HB       TYR   3  -9.613   0.551   2.537
   17    H    TYR   3           H        TYR   3  -6.810   2.238   3.161
   18    HA   TYR   3           HA       TYR   3  -7.521  -0.562   2.642
   19    HD1  TYR   3           HD1      TYR   3  -8.283   2.952   3.372
   20    HD2  TYR   3           HD2      TYR   3  -9.904   2.000  -0.443
   21    HE1  TYR   3           HE1      TYR   3  -8.593   5.351   2.910
   22    HE2  TYR   3           HE2      TYR   3 -10.211   4.392  -0.920
   23    HH   TYR   3           HH       TYR   3  -8.734   6.779   0.623
   24   1HB   HIS   4          2HB       HIS   4  -4.452  -2.054  -1.452
   25   2HB   HIS   4          1HB       HIS   4  -5.883  -2.565  -0.568
   26    H    HIS   4           H        HIS   4  -7.409  -1.062   0.252
   27    HA   HIS   4           HA       HIS   4  -4.897   0.030  -0.768
   28    HD1  HIS   4           HD1      HIS   4  -8.178  -2.463  -2.085
   29    HD2  HIS   4           HD2      HIS   4  -4.546  -2.630  -4.097
   30    HE1  HIS   4           HE1      HIS   4  -8.736  -3.220  -4.417
   31    HE2  HIS   4           HE2      HIS   4  -6.517  -3.366  -5.602
   32   1HB   ARG   5          2HB       ARG   5  -5.771   3.352  -3.056
   33   2HB   ARG   5          1HB       ARG   5  -6.260   3.653  -4.716
   34   1HG   ARG   5          2HG       ARG   5  -8.029   2.714  -2.469
   35   2HG   ARG   5          1HG       ARG   5  -8.014   4.318  -3.205
   36   1HD   ARG   5          2HD       ARG   5  -8.442   2.945  -5.407
   37   2HD   ARG   5          1HD       ARG   5  -9.055   1.741  -4.277
   38   1HH1  ARG   5          2HH1      ARG   5 -10.354   1.285  -3.218
   39   2HH1  ARG   5          1HH1      ARG   5 -12.012   1.465  -2.749
   40   1HH2  ARG   5          1HH2      ARG   5 -12.357   4.658  -4.130
   41   2HH2  ARG   5          2HH2      ARG   5 -13.150   3.383  -3.268
   42    H    ARG   5           H        ARG   5  -4.677   0.855  -2.842
   43    HA   ARG   5           HA       ARG   5  -7.034   1.098  -4.529
   44    HE   ARG   5           HE       ARG   5 -10.172   4.410  -4.744
   45   1HB   GLU   6          2HB       GLU   6  -4.467   0.193  -9.457
   46   2HB   GLU   6          1HB       GLU   6  -5.533  -0.482  -8.235
   47   1HG   GLU   6          2HG       GLU   6  -6.138   1.678 -10.229
   48   2HG   GLU   6          1HG       GLU   6  -6.884   0.086 -10.082
   49    H    GLU   6           H        GLU   6  -6.567   1.490  -6.695
   50    HA   GLU   6           HA       GLU   6  -3.747   1.107  -7.399
   51    H    ALA   7           H        ALA   7  -3.685   1.984  -9.962
   52    HA   ALA   7           HA       ALA   7  -3.295   4.767  -9.641
   53   1HB   ALA   7          1HB       ALA   7  -3.490   3.608 -12.368
   54   2HB   ALA   7          2HB       ALA   7  -2.230   2.999 -11.297
   55   3HB   ALA   7          3HB       ALA   7  -2.298   4.717 -11.690
   56   1HB   ARG   8          2HB       ARG   8  -5.044   7.283 -13.588
   57   2HB   ARG   8          1HB       ARG   8  -6.682   7.916 -13.491
   58   1HG   ARG   8          2HG       ARG   8  -6.145   9.321 -11.683
   59   2HG   ARG   8          1HG       ARG   8  -4.615   8.493 -11.393
   60   1HD   ARG   8          2HD       ARG   8  -3.988   9.256 -13.766
   61   2HD   ARG   8          1HD       ARG   8  -5.346  10.370 -13.617
   62   1HH1  ARG   8          1HH1      ARG   8  -3.358  11.011 -14.794
   63   2HH1  ARG   8          2HH1      ARG   8  -2.170  12.266 -14.662
   64   1HH2  ARG   8          2HH2      ARG   8  -2.257  12.387 -11.170
   65   2HH2  ARG   8          1HH2      ARG   8  -1.544  13.047 -12.604
   66    H    ARG   8           H        ARG   8  -4.147   6.112 -11.745
   67    HA   ARG   8           HA       ARG   8  -6.769   6.820 -11.165
   68    HE   ARG   8           HE       ARG   8  -3.821  10.734 -11.352
   69   1HB   SER   9          2HB       SER   9  -7.335   5.162 -15.635
   70   2HB   SER   9          1HB       SER   9  -7.360   3.567 -16.386
   71    H    SER   9           H        SER   9  -5.510   4.470 -13.438
   72    HA   SER   9           HA       SER   9  -8.082   3.220 -13.664
   73    HG   SER   9           HG       SER   9  -9.483   4.176 -14.707
   74   1HA   GLY  10          2HA       GLY  10  -4.156   0.802 -14.443
   75   2HA   GLY  10          1HA       GLY  10  -5.511  -0.226 -14.005
   76    H    GLY  10           H        GLY  10  -5.844   2.154 -12.618
   77   1HB   LYS  11          2HB       LYS  11  -4.587  -2.876 -10.920
   78   2HB   LYS  11          1HB       LYS  11  -3.115  -3.642 -11.500
   79   1HG   LYS  11          2HG       LYS  11  -2.130  -3.075  -9.213
   80   2HG   LYS  11          1HG       LYS  11  -3.795  -2.762  -8.717
   81   1HD   LYS  11          2HD       LYS  11  -3.427  -5.289 -10.147
   82   2HD   LYS  11          1HD       LYS  11  -2.552  -5.194  -8.618
   83   1HE   LYS  11          2HE       LYS  11  -4.452  -5.717  -7.592
   84   2HE   LYS  11          1HE       LYS  11  -5.068  -4.136  -8.071
   85    H    LYS  11           H        LYS  11  -3.753  -1.593 -13.171
   86    HA   LYS  11           HA       LYS  11  -3.114  -0.842 -10.401
   87   1HZ   LYS  11          2HZ       LYS  11  -5.248  -6.085 -10.165
   88   2HZ   LYS  11          1HZ       LYS  11  -6.122  -6.532  -8.788
   89   3HZ   LYS  11          3HZ       LYS  11  -6.437  -5.053  -9.546
   90   1HB   TYR  12          2HB       TYR  12   0.394  -3.674 -11.565
   91   2HB   TYR  12          1HB       TYR  12   2.096  -3.234 -11.475
   92    H    TYR  12           H        TYR  12  -1.085  -1.720  -9.519
   93    HA   TYR  12           HA       TYR  12   1.198  -1.630  -9.550
   94    HD1  TYR  12           HD1      TYR  12   0.865  -2.755  -8.271
   95    HD2  TYR  12           HD2      TYR  12   1.874  -5.882 -10.975
   96    HE1  TYR  12           HE1      TYR  12   1.166  -4.293  -6.373
   97    HE2  TYR  12           HE2      TYR  12   2.176  -7.426  -9.087
   98    HH   TYR  12           HH       TYR  12   1.617  -7.706  -6.829
   99   1HB   LYS  13          2HB       LYS  13   1.411   2.293 -13.994
  100   2HB   LYS  13          1HB       LYS  13   1.246   0.548 -13.878
  101   1HG   LYS  13          2HG       LYS  13  -0.924   0.656 -13.299
  102   2HG   LYS  13          1HG       LYS  13  -0.699   2.104 -12.316
  103   1HD   LYS  13          2HD       LYS  13  -1.766   3.171 -13.973
  104   2HD   LYS  13          1HD       LYS  13  -0.234   3.048 -14.841
  105   1HE   LYS  13          2HE       LYS  13  -1.564   0.593 -15.202
  106   2HE   LYS  13          1HE       LYS  13  -2.766   1.857 -15.457
  107    H    LYS  13           H        LYS  13   0.884   0.675 -10.302
  108    HA   LYS  13           HA       LYS  13   2.821   1.328 -12.206
  109   1HZ   LYS  13          2HZ       LYS  13  -0.687   2.823 -16.828
  110   2HZ   LYS  13          1HZ       LYS  13  -0.447   1.163 -17.045
  111   3HZ   LYS  13          3HZ       LYS  13  -1.908   1.877 -17.514
  112   1HB   LEU  14          2HB       LEU  14   0.477   2.906  -7.879
  113   2HB   LEU  14          1HB       LEU  14   0.754   4.552  -7.346
  114    H    LEU  14           H        LEU  14   1.827   2.045  -9.563
  115    HA   LEU  14           HA       LEU  14   1.191   4.890  -9.965
  116    HG   LEU  14           HG       LEU  14  -1.311   3.608  -9.330
  117   1HD1  LEU  14          1HD1      LEU  14  -1.307   3.953  -6.506
  118   2HD1  LEU  14          3HD1      LEU  14  -2.365   5.169  -7.223
  119   3HD1  LEU  14          2HD1      LEU  14  -2.634   3.459  -7.559
  120   1HD2  LEU  14          1HD2      LEU  14  -0.059   5.922  -9.663
  121   2HD2  LEU  14          3HD2      LEU  14  -1.793   5.746  -9.932
  122   3HD2  LEU  14          2HD2      LEU  14  -1.201   6.427  -8.417
  123    H    THR  15           H        THR  15   2.296   6.466  -8.763
  124    HA   THR  15           HA       THR  15   4.958   5.615  -7.845
  125    HB   THR  15           HB       THR  15   5.770   7.810  -8.339
  126    HG1  THR  15           HG1      THR  15   4.342   9.344  -7.981
  127   1HG2  THR  15          3HG2      THR  15   4.078   6.545 -10.454
  128   2HG2  THR  15          2HG2      THR  15   4.898   8.069 -10.790
  129   3HG2  THR  15          1HG2      THR  15   5.834   6.646 -10.335
  130   1HB   TYR  16          2HB       TYR  16   6.634   7.869  -4.011
  131   2HB   TYR  16          1HB       TYR  16   6.399   9.493  -4.648
  132    H    TYR  16           H        TYR  16   5.564   8.047  -6.493
  133    HA   TYR  16           HA       TYR  16   4.201   7.519  -3.995
  134    HD1  TYR  16           HD1      TYR  16   5.146   7.430  -1.789
  135    HD2  TYR  16           HD2      TYR  16   6.571  11.211  -3.125
  136    HE1  TYR  16           HE1      TYR  16   4.984   8.293   0.503
  137    HE2  TYR  16           HE2      TYR  16   6.409  12.087  -0.833
  138    HH   TYR  16           HH       TYR  16   6.420  11.157   1.500
  139    H    ALA  17           H        ALA  17   4.916  10.489  -5.828
  140    HA   ALA  17           HA       ALA  17   3.128  12.148  -4.471
  141   1HB   ALA  17          3HB       ALA  17   4.956  12.903  -5.976
  142   2HB   ALA  17          2HB       ALA  17   3.969  12.407  -7.353
  143   3HB   ALA  17          1HB       ALA  17   3.410  13.696  -6.285
  144   1HB   GLU  18          2HB       GLU  18   1.568   8.323  -8.414
  145   2HB   GLU  18          1HB       GLU  18  -0.090   8.550  -8.954
  146   1HG   GLU  18          2HG       GLU  18   0.492  10.299 -10.386
  147   2HG   GLU  18          1HG       GLU  18   2.048  10.546  -9.598
  148    H    GLU  18           H        GLU  18   2.638   9.897  -7.093
  149    HA   GLU  18           HA       GLU  18   0.037  10.849  -7.819
  150    H    ALA  19           H        ALA  19   1.209   8.004  -6.042
  151    HA   ALA  19           HA       ALA  19  -1.224   6.907  -5.318
  152   1HB   ALA  19          2HB       ALA  19   0.289   5.444  -4.582
  153   2HB   ALA  19          3HB       ALA  19   0.410   6.443  -3.134
  154   3HB   ALA  19          1HB       ALA  19   1.538   6.686  -4.470
  155   1HB   LYS  20          2HB       LYS  20   1.358  10.776  -2.055
  156   2HB   LYS  20          1HB       LYS  20   0.427  12.056  -2.814
  157   1HG   LYS  20          2HG       LYS  20  -0.591  12.643  -0.732
  158   2HG   LYS  20          1HG       LYS  20   0.119  11.237   0.065
  159   1HD   LYS  20          2HD       LYS  20   2.228  12.163   0.118
  160   2HD   LYS  20          1HD       LYS  20   1.911  13.222  -1.258
  161   1HE   LYS  20          2HE       LYS  20   1.591  14.858   0.215
  162   2HE   LYS  20          1HE       LYS  20   0.090  14.046   0.655
  163    H    LYS  20           H        LYS  20   0.616   9.486  -3.771
  164    HA   LYS  20           HA       LYS  20  -0.933   9.748  -1.461
  165   1HZ   LYS  20          3HZ       LYS  20   2.272  12.835   1.981
  166   2HZ   LYS  20          2HZ       LYS  20   2.286  14.501   2.272
  167   3HZ   LYS  20          1HZ       LYS  20   0.911  13.589   2.645
  168    H    ALA  21           H        ALA  21  -1.056  11.490  -4.550
  169    HA   ALA  21           HA       ALA  21  -3.214  13.167  -3.936
  170   1HB   ALA  21          2HB       ALA  21  -3.537  13.005  -6.547
  171   2HB   ALA  21          3HB       ALA  21  -1.975  12.190  -6.460
  172   3HB   ALA  21          1HB       ALA  21  -2.148  13.836  -5.849
  173    H    VAL  22           H        VAL  22  -3.141   9.960  -5.440
  174    HA   VAL  22           HA       VAL  22  -5.826   9.643  -6.027
  175    HB   VAL  22           HB       VAL  22  -3.560   7.835  -5.486
  176   1HG1  VAL  22          3HG1      VAL  22  -5.227   6.896  -3.983
  177   2HG1  VAL  22          2HG1      VAL  22  -6.397   6.841  -5.301
  178   3HG1  VAL  22          1HG1      VAL  22  -4.949   5.834  -5.363
  179   1HG2  VAL  22          1HG2      VAL  22  -4.157   8.571  -7.732
  180   2HG2  VAL  22          3HG2      VAL  22  -4.317   6.821  -7.573
  181   3HG2  VAL  22          2HG2      VAL  22  -5.755   7.843  -7.554
  182   1HB   CYS  23          2HB       CYS  23  -3.618   9.450  -0.870
  183   2HB   CYS  23          1HB       CYS  23  -4.784   9.240   0.429
  184    H    CYS  23           H        CYS  23  -4.109   9.307  -2.995
  185    HA   CYS  23           HA       CYS  23  -6.241   8.166  -1.502
  186   1HB   GLU  24          2HB       GLU  24  -4.563  13.521  -1.438
  187   2HB   GLU  24          1HB       GLU  24  -5.884  14.673  -1.297
  188   1HG   GLU  24          2HG       GLU  24  -5.698  14.706   1.079
  189   2HG   GLU  24          1HG       GLU  24  -4.548  13.370   1.060
  190    H    GLU  24           H        GLU  24  -4.796  11.403  -1.322
  191    HA   GLU  24           HA       GLU  24  -6.791  12.578   0.227
  192   1HB   PHE  25          2HB       PHE  25  -7.491  12.061  -5.420
  193   2HB   PHE  25          1HB       PHE  25  -8.248  10.562  -4.894
  194    H    PHE  25           H        PHE  25  -7.059  11.394  -2.873
  195    HA   PHE  25           HA       PHE  25  -8.943  13.330  -3.883
  196    HD1  PHE  25           HD1      PHE  25  -8.833  13.738  -6.676
  197    HD2  PHE  25           HD2      PHE  25 -10.306   9.843  -5.794
  198    HE1  PHE  25           HE1      PHE  25 -10.551  13.998  -8.419
  199    HE2  PHE  25           HE2      PHE  25 -12.026  10.096  -7.536
  200    HZ   PHE  25           HZ       PHE  25 -12.150  12.174  -8.850
  201   1HB   GLU  26          2HB       GLU  26  -9.734   8.231  -1.578
  202   2HB   GLU  26          1HB       GLU  26 -11.358   7.970  -0.961
  203   1HG   GLU  26          2HG       GLU  26 -11.535   8.406  -3.759
  204   2HG   GLU  26          1HG       GLU  26 -10.270   7.215  -3.460
  205    H    GLU  26           H        GLU  26  -9.000  10.263  -2.213
  206    HA   GLU  26           HA       GLU  26 -11.902  10.096  -2.435
  207   1HA   GLY  27          1HA       GLY  27 -11.745  11.854   1.646
  208   2HA   GLY  27          2HA       GLY  27 -10.504  13.049   1.293
  209    H    GLY  27           H        GLY  27  -9.833  11.754  -0.569
  210   1HA   GLY  28          2HA       GLY  28  -7.958   8.972   2.729
  211   2HA   GLY  28          1HA       GLY  28  -8.021  10.363   3.806
  212    H    GLY  28           H        GLY  28  -8.608  10.653   0.927
  213   1HB   HIS  29          2HB       HIS  29  -2.568  10.380   4.262
  214   2HB   HIS  29          1HB       HIS  29  -3.180  11.742   3.332
  215    H    HIS  29           H        HIS  29  -5.723   8.921   3.651
  216    HA   HIS  29           HA       HIS  29  -3.929  10.288   1.807
  217    HD1  HIS  29           HD1      HIS  29  -3.977  13.200   5.201
  218    HD2  HIS  29           HD2      HIS  29  -5.454   9.327   5.467
  219    HE1  HIS  29           HE1      HIS  29  -5.662  13.249   7.060
  220    HE2  HIS  29           HE2      HIS  29  -6.618  10.921   7.136
  221   1HB   LEU  30          2HB       LEU  30   0.578   8.598   2.190
  222   2HB   LEU  30          1HB       LEU  30   0.855   6.891   1.922
  223    H    LEU  30           H        LEU  30  -1.640   9.421   2.059
  224    HA   LEU  30           HA       LEU  30  -1.667   6.630   1.780
  225    HG   LEU  30           HG       LEU  30  -0.396   8.850   0.001
  226   1HD1  LEU  30          3HD1      LEU  30   2.125   8.755   0.305
  227   2HD1  LEU  30          2HD1      LEU  30   2.041   7.136  -0.388
  228   3HD1  LEU  30          1HD1      LEU  30   1.513   8.528  -1.334
  229   1HD2  LEU  30          3HD2      LEU  30  -0.891   6.070   0.240
  230   2HD2  LEU  30          2HD2      LEU  30  -1.430   7.179  -1.021
  231   3HD2  LEU  30          1HD2      LEU  30   0.103   6.325  -1.195
  232    H    ALA  31           H        ALA  31  -2.000   5.205   3.357
  233    HA   ALA  31           HA       ALA  31  -1.814   5.738   6.097
  234   1HB   ALA  31          3HB       ALA  31  -2.103   3.274   4.467
  235   2HB   ALA  31          2HB       ALA  31  -1.678   3.109   6.171
  236   3HB   ALA  31          1HB       ALA  31  -3.163   3.943   5.709
  237    H    THR  32           H        THR  32  -0.483   3.615   7.221
  238    HA   THR  32           HA       THR  32   2.332   3.985   6.462
  239    HB   THR  32           HB       THR  32   3.030   4.687   8.515
  240    HG1  THR  32           HG1      THR  32   1.361   4.280  10.379
  241   1HG2  THR  32          2HG2      THR  32   0.824   6.029   7.579
  242   2HG2  THR  32          1HG2      THR  32   0.408   5.733   9.267
  243   3HG2  THR  32          3HG2      THR  32   1.894   6.591   8.863
  244   1HB   TYR  33          2HB       TYR  33   5.200   1.145   8.541
  245   2HB   TYR  33          1HB       TYR  33   4.617   0.470  10.039
  246    H    TYR  33           H        TYR  33   3.577   2.530   8.347
  247    HA   TYR  33           HA       TYR  33   3.050  -0.159   7.607
  248    HD1  TYR  33           HD1      TYR  33   5.870  -0.396   6.675
  249    HD2  TYR  33           HD2      TYR  33   4.862  -1.836  10.549
  250    HE1  TYR  33           HE1      TYR  33   6.958  -2.539   6.155
  251    HE2  TYR  33           HE2      TYR  33   5.948  -3.983  10.040
  252    HH   TYR  33           HH       TYR  33   6.935  -4.837   6.870
  253   1HB   LYS  34          2HB       LYS  34   2.600   2.157  12.590
  254   2HB   LYS  34          1HB       LYS  34   0.995   1.849  13.234
  255   1HG   LYS  34          2HG       LYS  34   2.320  -0.158  14.405
  256   2HG   LYS  34          1HG       LYS  34   3.637   1.005  14.235
  257   1HD   LYS  34          2HD       LYS  34   1.905   2.687  15.220
  258   2HD   LYS  34          1HD       LYS  34   1.103   1.227  15.802
  259   1HE   LYS  34          2HE       LYS  34   3.886   1.011  16.356
  260   2HE   LYS  34          1HE       LYS  34   3.325   2.585  16.922
  261    H    LYS  34           H        LYS  34   3.260   1.245  10.799
  262    HA   LYS  34           HA       LYS  34   2.055  -0.636  12.330
  263   1HZ   LYS  34          2HZ       LYS  34   1.526   0.459  17.592
  264   2HZ   LYS  34          1HZ       LYS  34   3.065   0.230  18.253
  265   3HZ   LYS  34          3HZ       LYS  34   2.204   1.650  18.582
  266   1HB   GLN  35          2HB       GLN  35  -1.480   2.378   8.590
  267   2HB   GLN  35          1HB       GLN  35  -2.947   2.649   9.515
  268   1HG   GLN  35          2HG       GLN  35  -1.489   3.774  11.245
  269   2HG   GLN  35          1HG       GLN  35  -0.198   3.719  10.048
  270   1HE2  GLN  35          1HE2      GLN  35  -2.257   5.758  11.350
  271   2HE2  GLN  35          2HE2      GLN  35  -2.619   6.781  10.007
  272    H    GLN  35           H        GLN  35   0.380   1.935  10.535
  273    HA   GLN  35           HA       GLN  35  -2.233   1.229  11.269
  274   1HB   LEU  36          2HB       LEU  36   0.849  -0.984   7.236
  275   2HB   LEU  36          1HB       LEU  36   0.552  -2.707   7.140
  276    H    LEU  36           H        LEU  36  -0.088   0.099   8.724
  277    HA   LEU  36           HA       LEU  36  -1.979  -1.444   7.298
  278    HG   LEU  36           HG       LEU  36   0.721  -1.792   4.912
  279   1HD1  LEU  36          1HD1      LEU  36  -1.534  -3.199   5.900
  280   2HD1  LEU  36          3HD1      LEU  36  -2.085  -2.100   4.636
  281   3HD1  LEU  36          2HD1      LEU  36  -0.809  -3.270   4.295
  282   1HD2  LEU  36          2HD2      LEU  36  -0.673   0.401   6.053
  283   2HD2  LEU  36          1HD2      LEU  36   0.047   0.266   4.449
  284   3HD2  LEU  36          3HD2      LEU  36  -1.629  -0.222   4.708
  285   1HB   GLU  37          2HB       GLU  37   1.180  -3.448  11.746
  286   2HB   GLU  37          1HB       GLU  37  -0.190  -2.757  12.597
  287   1HG   GLU  37          2HG       GLU  37  -0.782  -5.228  13.113
  288   2HG   GLU  37          1HG       GLU  37   0.914  -5.522  12.730
  289    H    GLU  37           H        GLU  37  -0.110  -1.996  10.178
  290    HA   GLU  37           HA       GLU  37  -0.376  -4.795  10.371
  291    H    ALA  38           H        ALA  38  -2.184  -2.212  11.993
  292    HA   ALA  38           HA       ALA  38  -4.132  -3.735  13.226
  293   1HB   ALA  38          1HB       ALA  38  -3.789  -1.287  13.536
  294   2HB   ALA  38          2HB       ALA  38  -5.479  -1.743  13.321
  295   3HB   ALA  38          3HB       ALA  38  -4.583  -1.022  11.985
  296    H    ALA  39           H        ALA  39  -3.809  -2.765   9.902
  297    HA   ALA  39           HA       ALA  39  -6.446  -3.476   9.069
  298   1HB   ALA  39          3HB       ALA  39  -3.952  -3.278   7.387
  299   2HB   ALA  39          1HB       ALA  39  -4.968  -1.906   7.831
  300   3HB   ALA  39          2HB       ALA  39  -5.622  -3.199   6.824
  301   1HB   ARG  40          2HB       ARG  40  -1.786  -6.794   8.474
  302   2HB   ARG  40          1HB       ARG  40  -2.058  -7.183  10.166
  303   1HG   ARG  40          2HG       ARG  40  -2.781  -9.388   8.445
  304   2HG   ARG  40          1HG       ARG  40  -1.109  -8.884   8.195
  305   1HD   ARG  40          2HD       ARG  40  -2.168  -9.251  10.966
  306   2HD   ARG  40          1HD       ARG  40  -1.668 -10.651  10.020
  307   1HH1  ARG  40          1HH1      ARG  40  -1.577  -9.198  12.570
  308   2HH1  ARG  40          2HH1      ARG  40  -0.298  -8.838  13.681
  309   1HH2  ARG  40          1HH2      ARG  40   2.215  -8.878  11.250
  310   2HH2  ARG  40          2HH2      ARG  40   1.858  -8.656  12.930
  311    H    ARG  40           H        ARG  40  -3.426  -5.144   9.478
  312    HA   ARG  40           HA       ARG  40  -4.133  -7.480   7.988
  313    HE   ARG  40           HE       ARG  40   0.524  -9.354   9.796
  314   1HB   LYS  41          2HB       LYS  41  -6.327  -6.213  13.169
  315   2HB   LYS  41          1HB       LYS  41  -6.099  -7.548  14.290
  316   1HG   LYS  41          2HG       LYS  41  -3.563  -7.143  13.781
  317   2HG   LYS  41          1HG       LYS  41  -4.135  -5.542  13.304
  318   1HD   LYS  41          2HD       LYS  41  -4.087  -4.963  15.451
  319   2HD   LYS  41          1HD       LYS  41  -5.411  -6.097  15.728
  320   1HE   LYS  41          2HE       LYS  41  -3.337  -7.804  15.734
  321   2HE   LYS  41          1HE       LYS  41  -2.531  -6.353  16.328
  322    H    LYS  41           H        LYS  41  -4.397  -6.463  11.335
  323    HA   LYS  41           HA       LYS  41  -4.956  -8.843  12.598
  324   1HZ   LYS  41          3HZ       LYS  41  -4.817  -6.415  17.771
  325   2HZ   LYS  41          2HZ       LYS  41  -4.435  -8.057  17.643
  326   3HZ   LYS  41          1HZ       LYS  41  -3.313  -6.978  18.305
  327   1HG1  ILE  42          2HG1      ILE  42  -8.824  -5.247   8.593
  328   2HG1  ILE  42          1HG1      ILE  42  -8.139  -6.844   8.309
  329    H    ILE  42           H        ILE  42  -7.039  -6.889  10.562
  330    HA   ILE  42           HA       ILE  42  -9.381  -8.483  11.168
  331    HB   ILE  42           HB       ILE  42 -10.618  -7.026   9.799
  332   1HG2  ILE  42          1HG2      ILE  42  -9.304  -6.089  11.908
  333   2HG2  ILE  42          3HG2      ILE  42  -8.619  -5.023  10.681
  334   3HG2  ILE  42          2HG2      ILE  42 -10.364  -5.072  10.932
  335   1HD1  ILE  42          1HD1      ILE  42 -11.014  -6.649   7.803
  336   2HD1  ILE  42          3HD1      ILE  42 -10.003  -5.662   6.748
  337   3HD1  ILE  42          2HD1      ILE  42  -9.736  -7.402   6.850
  338   1HA   GLY  43          1HA       GLY  43  -8.210 -10.538   7.322
  339   2HA   GLY  43          2HA       GLY  43  -6.476 -10.476   7.607
  340    H    GLY  43           H        GLY  43  -6.868  -8.346   8.780
  341   1HB   PHE  44          2HB       PHE  44  -6.190  -5.554   6.143
  342   2HB   PHE  44          1HB       PHE  44  -4.558  -5.960   5.623
  343    H    PHE  44           H        PHE  44  -5.903  -7.863   6.975
  344    HA   PHE  44           HA       PHE  44  -6.983  -7.239   4.371
  345    HD1  PHE  44           HD1      PHE  44  -7.067  -6.075   3.053
  346    HD2  PHE  44           HD2      PHE  44  -4.355  -3.525   5.111
  347    HE1  PHE  44           HE1      PHE  44  -7.236  -4.431   1.229
  348    HE2  PHE  44           HE2      PHE  44  -4.519  -1.876   3.293
  349    HZ   PHE  44           HZ       PHE  44  -5.963  -2.327   1.350
  350   1HB   HIS  45          2HB       HIS  45  -4.840 -11.566   3.241
  351   2HB   HIS  45          1HB       HIS  45  -6.000 -11.187   1.974
  352    H    HIS  45           H        HIS  45  -6.420  -9.106   3.175
  353    HA   HIS  45           HA       HIS  45  -3.560  -9.577   2.745
  354    HD1  HIS  45           HD1      HIS  45  -5.655 -13.193   0.501
  355    HD2  HIS  45           HD2      HIS  45  -2.102 -11.240   1.403
  356    HE1  HIS  45           HE1      HIS  45  -3.907 -14.268  -0.951
  357    HE2  HIS  45           HE2      HIS  45  -1.790 -12.994  -0.468
  358    H    VAL  46           H        VAL  46  -2.618  -8.564   1.116
  359    HA   VAL  46           HA       VAL  46  -3.812  -8.533  -1.503
  360    HB   VAL  46           HB       VAL  46  -4.810  -6.533  -1.248
  361   1HG1  VAL  46          2HG1      VAL  46  -4.446  -6.614   1.207
  362   2HG1  VAL  46          1HG1      VAL  46  -2.915  -5.773   0.968
  363   3HG1  VAL  46          3HG1      VAL  46  -4.433  -4.980   0.544
  364   1HG2  VAL  46          3HG2      VAL  46  -2.838  -6.065  -2.686
  365   2HG2  VAL  46          2HG2      VAL  46  -3.457  -4.644  -1.845
  366   3HG2  VAL  46          1HG2      VAL  46  -1.999  -5.448  -1.263
  367   1HB   CYS  47          2HB       CYS  47   0.148  -9.477  -4.832
  368   2HB   CYS  47          1HB       CYS  47   0.884 -10.378  -3.509
  369    H    CYS  47           H        CYS  47  -2.226  -8.975  -2.871
  370    HA   CYS  47           HA       CYS  47   0.533  -8.708  -2.063
  371    H    ALA  48           H        ALA  48  -1.614  -6.584  -3.325
  372    HA   ALA  48           HA       ALA  48   0.175  -5.319  -5.234
  373   1HB   ALA  48          1HB       ALA  48  -2.487  -5.491  -5.232
  374   2HB   ALA  48          2HB       ALA  48  -1.620  -4.154  -5.986
  375   3HB   ALA  48          3HB       ALA  48  -2.311  -3.960  -4.376
  376    H    ALA  49           H        ALA  49   1.887  -4.776  -3.826
  377    HA   ALA  49           HA       ALA  49   1.937  -3.548  -1.439
  378   1HB   ALA  49          2HB       ALA  49   4.082  -3.628  -2.019
  379   2HB   ALA  49          1HB       ALA  49   3.688  -3.603  -3.737
  380   3HB   ALA  49          3HB       ALA  49   3.833  -2.089  -2.844
  381   1HA   GLY  50          2HA       GLY  50  -0.323   0.104  -0.684
  382   2HA   GLY  50          1HA       GLY  50   0.209   0.384  -2.336
  383    H    GLY  50           H        GLY  50   1.308  -1.680  -0.537
  384   1HB   TRP  51          2HB       TRP  51   1.589   4.586  -2.696
  385   2HB   TRP  51          1HB       TRP  51   3.010   5.310  -1.948
  386    H    TRP  51           H        TRP  51   1.129   2.326  -2.444
  387    HA   TRP  51           HA       TRP  51   3.537   2.916  -1.127
  388    HD1  TRP  51           HD1      TRP  51   1.945   3.141  -4.865
  389    HE1  TRP  51           HE1      TRP  51   3.975   2.727  -6.398
  390    HE3  TRP  51           HE3      TRP  51   5.624   5.090  -1.891
  391    HZ2  TRP  51           HZ2      TRP  51   6.761   3.176  -6.356
  392    HZ3  TRP  51           HZ3      TRP  51   7.944   5.060  -2.714
  393    HH2  TRP  51           HH2      TRP  51   8.498   4.123  -4.899
  394   1HB   MET  52          2HB       MET  52   2.471   3.910   4.317
  395   2HB   MET  52          1HB       MET  52   1.328   3.298   3.131
  396   1HG   MET  52          2HG       MET  52   2.537   1.477   2.784
  397   2HG   MET  52          1HG       MET  52   4.010   2.415   2.551
  398    H    MET  52           H        MET  52   3.960   3.670   0.831
  399    HA   MET  52           HA       MET  52   2.009   5.335   2.220
  400   1HE   MET  52          1HE       MET  52   4.655  -0.175   3.575
  401   2HE   MET  52          3HE       MET  52   4.539  -0.529   5.299
  402   3HE   MET  52          2HE       MET  52   3.088  -0.546   4.296
  403    H    ALA  53           H        ALA  53   3.060   5.846   4.531
  404    HA   ALA  53           HA       ALA  53   4.630   7.215   5.491
  405   1HB   ALA  53          2HB       ALA  53   6.814   5.440   4.593
  406   2HB   ALA  53          3HB       ALA  53   5.499   4.688   5.498
  407   3HB   ALA  53          1HB       ALA  53   6.412   6.020   6.209
  408   1HB   LYS  54          2HB       LYS  54   9.269   8.285   4.591
  409   2HB   LYS  54          1HB       LYS  54   9.856   8.734   2.997
  410   1HG   LYS  54          2HG       LYS  54   8.911  11.094   3.683
  411   2HG   LYS  54          1HG       LYS  54   9.139  10.453   5.310
  412   1HD   LYS  54          2HD       LYS  54  11.351  10.212   3.318
  413   2HD   LYS  54          1HD       LYS  54  11.069  11.760   4.119
  414   1HE   LYS  54          2HE       LYS  54  11.040   9.519   5.970
  415   2HE   LYS  54          1HE       LYS  54  12.568   9.661   5.102
  416    H    LYS  54           H        LYS  54   7.299   7.671   4.925
  417    HA   LYS  54           HA       LYS  54   7.252   9.792   3.194
  418   1HZ   LYS  54          1HZ       LYS  54  12.375  12.134   5.760
  419   2HZ   LYS  54          3HZ       LYS  54  11.296  11.577   6.939
  420   3HZ   LYS  54          2HZ       LYS  54  12.891  11.014   6.918
  421   1HA   GLY  55          1HA       GLY  55   8.168   6.915  -0.313
  422   2HA   GLY  55          2HA       GLY  55   6.460   6.525  -0.155
  423    H    GLY  55           H        GLY  55   7.120   6.503   2.389
  424   1HB   ARG  56          2HB       ARG  56   7.967   3.452   3.685
  425   2HB   ARG  56          1HB       ARG  56   6.867   2.097   3.473
  426   1HG   ARG  56          2HG       ARG  56   8.852   0.718   2.795
  427   2HG   ARG  56          1HG       ARG  56   9.868   2.070   3.299
  428   1HD   ARG  56          2HD       ARG  56   8.081   1.642   5.408
  429   2HD   ARG  56          1HD       ARG  56   8.601   0.038   4.897
  430   1HH1  ARG  56          1HH1      ARG  56   9.587  -1.175   5.443
  431   2HH1  ARG  56          2HH1      ARG  56  11.000  -1.735   6.274
  432   1HH2  ARG  56          1HH2      ARG  56  12.300   1.466   6.820
  433   2HH2  ARG  56          2HH2      ARG  56  12.543  -0.233   7.058
  434    H    ARG  56           H        ARG  56   6.932   4.783   2.174
  435    HA   ARG  56           HA       ARG  56   8.610   2.647   1.161
  436    HE   ARG  56           HE       ARG  56  10.437   2.192   5.725
  437    H    VAL  57           H        VAL  57   7.931   0.812   0.192
  438    HA   VAL  57           HA       VAL  57   5.029   0.522  -0.228
  439    HB   VAL  57           HB       VAL  57   5.334   0.003  -2.402
  440   1HG1  VAL  57          1HG1      VAL  57   7.203   1.916  -1.548
  441   2HG1  VAL  57          3HG1      VAL  57   8.033   0.910  -2.735
  442   3HG1  VAL  57          2HG1      VAL  57   6.523   1.716  -3.163
  443   1HG2  VAL  57          2HG2      VAL  57   7.794  -1.449  -1.490
  444   2HG2  VAL  57          1HG2      VAL  57   6.326  -2.100  -2.222
  445   3HG2  VAL  57          3HG2      VAL  57   7.472  -1.185  -3.203
  446   1HA   GLY  58          2HA       GLY  58   4.965  -3.215   1.937
  447   2HA   GLY  58          1HA       GLY  58   5.562  -3.872   0.421
  448    H    GLY  58           H        GLY  58   4.073  -1.468   0.008
  449   1HB   TYR  59          2HB       TYR  59   1.420  -7.360  -0.892
  450   2HB   TYR  59          1HB       TYR  59   1.747  -5.763  -1.561
  451    H    TYR  59           H        TYR  59   4.186  -5.703   1.022
  452    HA   TYR  59           HA       TYR  59   1.325  -5.231   0.646
  453    HD1  TYR  59           HD1      TYR  59   4.180  -5.051  -1.843
  454    HD2  TYR  59           HD2      TYR  59   3.032  -9.073  -1.020
  455    HE1  TYR  59           HE1      TYR  59   6.357  -5.840  -2.666
  456    HE2  TYR  59           HE2      TYR  59   5.205  -9.864  -1.845
  457    HH   TYR  59           HH       TYR  59   7.696  -8.559  -2.024
  458   1HB   PRO  60          2HB       PRO  60  -0.791  -7.682   5.023
  459   2HB   PRO  60          1HB       PRO  60   0.584  -6.672   5.472
  460   1HG   PRO  60          2HG       PRO  60  -1.533  -6.196   3.423
  461   2HG   PRO  60          1HG       PRO  60  -0.768  -5.049   4.536
  462   1HD   PRO  60          1HD       PRO  60  -0.096  -5.217   1.918
  463   2HD   PRO  60          2HD       PRO  60   1.067  -4.762   3.178
  464    HA   PRO  60           HA       PRO  60   1.772  -8.102   4.142
  465   1HG1  ILE  61          2HG1      ILE  61   2.629 -10.346   1.145
  466   2HG1  ILE  61          1HG1      ILE  61   2.630 -11.443  -0.232
  467    H    ILE  61           H        ILE  61   1.841 -10.023   2.994
  468    HA   ILE  61           HA       ILE  61  -0.602 -11.028   1.765
  469    HB   ILE  61           HB       ILE  61   1.974 -12.556   1.893
  470   1HG2  ILE  61          2HG2      ILE  61  -0.540 -12.950   0.692
  471   2HG2  ILE  61          1HG2      ILE  61   0.598 -12.609  -0.612
  472   3HG2  ILE  61          3HG2      ILE  61   0.915 -13.931   0.512
  473   1HD1  ILE  61          1HD1      ILE  61   0.124  -9.978   0.217
  474   2HD1  ILE  61          3HD1      ILE  61   1.516  -9.004  -0.256
  475   3HD1  ILE  61          2HD1      ILE  61   0.983 -10.337  -1.280
  476    H    VAL  62           H        VAL  62  -2.013 -12.006   3.047
  477    HA   VAL  62           HA       VAL  62  -1.102 -13.455   5.410
  478    HB   VAL  62           HB       VAL  62  -3.951 -13.014   4.521
  479   1HG1  VAL  62          2HG1      VAL  62  -2.654 -13.889   7.082
  480   2HG1  VAL  62          1HG1      VAL  62  -4.289 -13.230   7.046
  481   3HG1  VAL  62          3HG1      VAL  62  -3.910 -14.699   6.147
  482   1HG2  VAL  62          3HG2      VAL  62  -2.025 -11.152   5.713
  483   2HG2  VAL  62          2HG2      VAL  62  -3.531 -10.834   4.850
  484   3HG2  VAL  62          1HG2      VAL  62  -3.568 -11.258   6.562
  485   1HB   LYS  63          2HB       LYS  63  -4.643 -15.503   2.101
  486   2HB   LYS  63          1HB       LYS  63  -4.001 -15.796   0.492
  487   1HG   LYS  63          2HG       LYS  63  -4.186 -18.122   2.314
  488   2HG   LYS  63          1HG       LYS  63  -5.695 -17.454   1.688
  489   1HD   LYS  63          2HD       LYS  63  -5.242 -18.072  -0.454
  490   2HD   LYS  63          1HD       LYS  63  -3.501 -17.878  -0.256
  491   1HE   LYS  63          2HE       LYS  63  -4.905 -20.074   1.195
  492   2HE   LYS  63          1HE       LYS  63  -4.554 -20.259  -0.522
  493    H    LYS  63           H        LYS  63  -2.429 -14.006   2.243
  494    HA   LYS  63           HA       LYS  63  -2.471 -16.901   2.791
  495   1HZ   LYS  63          3HZ       LYS  63  -2.313 -19.320   1.017
  496   2HZ   LYS  63          2HZ       LYS  63  -2.853 -20.852   1.489
  497   3HZ   LYS  63          1HZ       LYS  63  -2.399 -20.575  -0.116
  498   1HB   PRO  64          2HB       PRO  64   1.676 -19.183   0.205
  499   2HB   PRO  64          1HB       PRO  64   2.336 -17.890   1.206
  500   1HG   PRO  64          2HG       PRO  64   0.107 -19.783   1.776
  501   2HG   PRO  64          1HG       PRO  64   1.334 -19.127   2.873
  502   1HD   PRO  64          1HD       PRO  64  -1.196 -18.217   2.862
  503   2HD   PRO  64          2HD       PRO  64   0.184 -17.145   3.178
  504    HA   PRO  64           HA       PRO  64   1.066 -16.484  -0.044
  505   1HA   GLY  65          2HA       GLY  65  -0.474 -17.654  -3.897
  506   2HA   GLY  65          1HA       GLY  65  -0.260 -19.292  -3.295
  507    H    GLY  65           H        GLY  65   1.529 -17.339  -2.125
  508   1HB   PRO  66          2HB       PRO  66   1.276 -19.930  -8.508
  509   2HB   PRO  66          1HB       PRO  66   2.103 -21.281  -7.731
  510   1HG   PRO  66          2HG       PRO  66  -0.588 -20.973  -7.653
  511   2HG   PRO  66          1HG       PRO  66   0.330 -21.741  -6.344
  512   1HD   PRO  66          2HD       PRO  66  -0.756 -18.953  -6.516
  513   2HD   PRO  66          1HD       PRO  66  -0.741 -20.074  -5.138
  514    HA   PRO  66           HA       PRO  66   3.012 -19.922  -6.160
  515   1HB   ASN  67          2HB       ASN  67   2.050 -16.379  -9.010
  516   2HB   ASN  67          1HB       ASN  67   1.206 -15.134  -8.094
  517   1HD2  ASN  67          2HD2      ASN  67   1.286 -13.178  -8.906
  518   2HD2  ASN  67          1HD2      ASN  67   2.504 -12.561  -9.964
  519    H    ASN  67           H        ASN  67   2.411 -17.107  -5.660
  520    HA   ASN  67           HA       ASN  67   4.063 -15.890  -7.504
  521   1HB   CYS  68          2HB       CYS  68  -0.323 -14.550  -4.171
  522   2HB   CYS  68          1HB       CYS  68   0.010 -13.244  -3.037
  523    H    CYS  68           H        CYS  68   1.125 -15.323  -5.603
  524    HA   CYS  68           HA       CYS  68   1.866 -12.658  -4.868
  525   1HA   GLY  69          2HA       GLY  69   2.507 -16.245  -0.926
  526   2HA   GLY  69          1HA       GLY  69   2.772 -14.536  -0.600
  527    H    GLY  69           H        GLY  69   1.439 -15.571  -2.844
  528   1HB   PHE  70          2HB       PHE  70   6.499 -12.627  -0.650
  529   2HB   PHE  70          1HB       PHE  70   7.999 -13.416  -0.175
  530    H    PHE  70           H        PHE  70   4.819 -13.913  -0.477
  531    HA   PHE  70           HA       PHE  70   6.822 -14.954  -2.266
  532    HD1  PHE  70           HD1      PHE  70   9.732 -13.885  -1.925
  533    HD2  PHE  70           HD2      PHE  70   6.344 -11.414  -2.650
  534    HE1  PHE  70           HE1      PHE  70  10.868 -12.906  -3.875
  535    HE2  PHE  70           HE2      PHE  70   7.475 -10.429  -4.602
  536    HZ   PHE  70           HZ       PHE  70   9.740 -11.176  -5.216
  537   1HA   GLY  71          2HA       GLY  71   7.952 -17.165   1.660
  538   2HA   GLY  71          1HA       GLY  71   6.893 -18.348   0.901
  539    H    GLY  71           H        GLY  71   5.483 -16.143   0.482
  540   1HB   LYS  72          2HB       LYS  72   7.235 -15.330   5.751
  541   2HB   LYS  72          1HB       LYS  72   6.097 -15.975   6.928
  542   1HG   LYS  72          2HG       LYS  72   7.329 -18.241   6.045
  543   2HG   LYS  72          1HG       LYS  72   8.638 -17.059   5.976
  544   1HD   LYS  72          2HD       LYS  72   6.896 -17.255   8.404
  545   2HD   LYS  72          1HD       LYS  72   8.237 -18.379   8.172
  546   1HE   LYS  72          2HE       LYS  72   9.812 -16.788   8.511
  547   2HE   LYS  72          1HE       LYS  72   8.840 -15.516   7.770
  548    H    LYS  72           H        LYS  72   7.223 -16.045   3.520
  549    HA   LYS  72           HA       LYS  72   5.367 -17.610   5.111
  550   1HZ   LYS  72          2HZ       LYS  72   7.400 -15.765   9.865
  551   2HZ   LYS  72          1HZ       LYS  72   8.749 -16.534  10.535
  552   3HZ   LYS  72          3HZ       LYS  72   8.869 -14.936   9.991
  553    H    THR  73           H        THR  73   4.263 -15.838   6.825
  554    HA   THR  73           HA       THR  73   2.522 -14.228   5.076
  555    HB   THR  73           HB       THR  73   0.766 -14.482   6.762
  556    HG1  THR  73           HG1      THR  73   2.851 -15.388   8.259
  557   1HG2  THR  73          2HG2      THR  73   1.232 -16.223   4.923
  558   2HG2  THR  73          1HG2      THR  73   1.831 -17.239   6.233
  559   3HG2  THR  73          3HG2      THR  73   0.158 -16.681   6.244
  560   1HA   GLY  74          2HA       GLY  74   4.158 -10.925   7.445
  561   2HA   GLY  74          1HA       GLY  74   2.439 -10.558   7.526
  562    H    GLY  74           H        GLY  74   2.596 -12.094   5.309
  563   1HG1  ILE  75          1HG1      ILE  75   2.088  -5.244   5.545
  564   2HG1  ILE  75          2HG1      ILE  75   1.915  -6.281   6.957
  565    H    ILE  75           H        ILE  75   3.758  -8.378   7.325
  566    HA   ILE  75           HA       ILE  75   3.077  -7.297   4.794
  567    HB   ILE  75           HB       ILE  75   4.382  -6.230   7.252
  568   1HG2  ILE  75          3HG2      ILE  75   4.444  -4.864   4.567
  569   2HG2  ILE  75          2HG2      ILE  75   4.706  -4.037   6.104
  570   3HG2  ILE  75          1HG2      ILE  75   5.820  -5.302   5.580
  571   1HD1  ILE  75          1HD1      ILE  75   3.182  -4.357   8.170
  572   2HD1  ILE  75          3HD1      ILE  75   2.623  -3.397   6.801
  573   3HD1  ILE  75          2HD1      ILE  75   1.456  -4.220   7.835
  574   1HG1  ILE  76          2HG1      ILE  76   4.281  -9.163   2.316
  575   2HG1  ILE  76          1HG1      ILE  76   4.246  -9.542   0.598
  576    H    ILE  76           H        ILE  76   4.190  -7.356   2.974
  577    HA   ILE  76           HA       ILE  76   7.001  -8.131   3.018
  578    HB   ILE  76           HB       ILE  76   5.458  -7.601   0.509
  579   1HG2  ILE  76          3HG2      ILE  76   7.907  -8.091   0.504
  580   2HG2  ILE  76          2HG2      ILE  76   7.526  -9.694   1.134
  581   3HG2  ILE  76          1HG2      ILE  76   6.927  -9.205  -0.452
  582   1HD1  ILE  76          1HD1      ILE  76   6.565 -10.642   1.967
  583   2HD1  ILE  76          3HD1      ILE  76   5.024 -11.236   2.585
  584   3HD1  ILE  76          2HD1      ILE  76   5.413 -11.408   0.874
  585   1HB   ASP  77          2HB       ASP  77   6.965  -3.728   4.330
  586   2HB   ASP  77          1HB       ASP  77   8.672  -3.475   4.674
  587    H    ASP  77           H        ASP  77   7.935  -6.197   3.785
  588    HA   ASP  77           HA       ASP  77   7.889  -3.981   1.844
  589   1HB   TYR  78          2HB       TYR  78  11.088  -5.023  -0.716
  590   2HB   TYR  78          1HB       TYR  78  12.474  -3.938  -0.775
  591    H    TYR  78           H        TYR  78   9.708  -4.057   0.700
  592    HA   TYR  78           HA       TYR  78  12.162  -5.069   1.873
  593    HD1  TYR  78           HD1      TYR  78  11.387  -7.400  -0.235
  594    HD2  TYR  78           HD2      TYR  78  14.724  -4.774  -0.494
  595    HE1  TYR  78           HE1      TYR  78  12.891  -9.338  -0.414
  596    HE2  TYR  78           HE2      TYR  78  16.237  -6.704  -0.674
  597    HH   TYR  78           HH       TYR  78  15.389  -9.634  -1.514
  598   1HA   GLY  79          2HA       GLY  79  13.159  -0.846   2.748
  599   2HA   GLY  79          1HA       GLY  79  11.526  -0.276   3.090
  600    H    GLY  79           H        GLY  79  10.700  -2.275   2.249
  601   1HG1  ILE  80          1HG1      ILE  80  11.724   3.347   2.468
  602   2HG1  ILE  80          2HG1      ILE  80  12.552   4.898   2.507
  603    H    ILE  80           H        ILE  80  12.462   1.766   2.236
  604    HA   ILE  80           HA       ILE  80  11.450   2.454  -0.215
  605    HB   ILE  80           HB       ILE  80  13.886   3.732   1.020
  606   1HG2  ILE  80          1HG2      ILE  80  11.772   4.756  -0.867
  607   2HG2  ILE  80          3HG2      ILE  80  12.954   5.783  -0.055
  608   3HG2  ILE  80          2HG2      ILE  80  13.493   4.549  -1.193
  609   1HD1  ILE  80          3HD1      ILE  80  10.247   4.372   0.667
  610   2HD1  ILE  80          2HD1      ILE  80  10.029   4.932   2.325
  611   3HD1  ILE  80          1HD1      ILE  80  10.925   5.920   1.171
  612   1HB   ARG  81          2HB       ARG  81  12.620   1.924  -4.928
  613   2HB   ARG  81          1HB       ARG  81  13.716   0.550  -4.980
  614   1HG   ARG  81          2HG       ARG  81  11.712   0.535  -2.816
  615   2HG   ARG  81          1HG       ARG  81  11.101   0.337  -4.460
  616   1HD   ARG  81          2HD       ARG  81  13.377  -1.290  -3.358
  617   2HD   ARG  81          1HD       ARG  81  11.692  -1.787  -3.212
  618   1HH1  ARG  81          1HH1      ARG  81  10.458  -2.698  -3.921
  619   2HH1  ARG  81          2HH1      ARG  81   9.876  -3.705  -5.204
  620   1HH2  ARG  81          2HH2      ARG  81  12.430  -2.838  -7.430
  621   2HH2  ARG  81          1HH2      ARG  81  10.998  -3.784  -7.200
  622    H    ARG  81           H        ARG  81  12.225   2.629  -2.297
  623    HA   ARG  81           HA       ARG  81  14.624   1.038  -2.872
  624    HE   ARG  81           HE       ARG  81  13.187  -1.515  -5.732
  625   1HB   LEU  82          2HB       LEU  82  17.116   3.938  -3.355
  626   2HB   LEU  82          1HB       LEU  82  17.304   5.289  -4.453
  627    H    LEU  82           H        LEU  82  14.290   4.023  -2.138
  628    HA   LEU  82           HA       LEU  82  15.239   6.017  -2.688
  629    HG   LEU  82           HG       LEU  82  18.825   5.503  -2.573
  630   1HD1  LEU  82          3HD1      LEU  82  17.025   7.453  -3.454
  631   2HD1  LEU  82          2HD1      LEU  82  17.108   7.633  -1.701
  632   3HD1  LEU  82          1HD1      LEU  82  18.582   7.705  -2.666
  633   1HD2  LEU  82          3HD2      LEU  82  16.423   4.814  -1.055
  634   2HD2  LEU  82          2HD2      LEU  82  18.126   4.589  -0.654
  635   3HD2  LEU  82          1HD2      LEU  82  17.353   6.148  -0.371
  636   1HB   ASN  83          2HB       ASN  83  14.804   5.157  -7.604
  637   2HB   ASN  83          1HB       ASN  83  13.626   3.875  -7.339
  638   1HD2  ASN  83          2HD2      ASN  83  12.880   3.295  -9.245
  639   2HD2  ASN  83          1HD2      ASN  83  12.315   4.362 -10.480
  640    H    ASN  83           H        ASN  83  13.201   4.788  -4.511
  641    HA   ASN  83           HA       ASN  83  13.338   6.784  -6.559
  642   1HB   ARG  84          2HB       ARG  84   8.842   8.604  -6.277
  643   2HB   ARG  84          1HB       ARG  84   7.882   7.681  -5.128
  644   1HG   ARG  84          2HG       ARG  84   9.070   8.796  -3.598
  645   2HG   ARG  84          1HG       ARG  84  10.321   7.603  -3.948
  646   1HD   ARG  84          2HD       ARG  84  11.275   9.132  -5.626
  647   2HD   ARG  84          1HD       ARG  84  10.052  10.330  -5.207
  648   1HH1  ARG  84          1HH1      ARG  84  12.736   8.271  -5.083
  649   2HH1  ARG  84          2HH1      ARG  84  14.204   8.329  -4.165
  650   1HH2  ARG  84          1HH2      ARG  84  13.066  10.782  -1.950
  651   2HH2  ARG  84          2HH2      ARG  84  14.391   9.756  -2.386
  652    H    ARG  84           H        ARG  84  11.328   7.471  -5.977
  653    HA   ARG  84           HA       ARG  84   9.141   5.735  -5.459
  654    HE   ARG  84           HE       ARG  84  11.136  10.699  -3.165
  655   1HB   SER  85          2HB       SER  85  10.777   6.866 -10.569
  656   2HB   SER  85          1HB       SER  85  11.132   5.139 -10.629
  657    H    SER  85           H        SER  85  10.596   5.677  -8.168
  658    HA   SER  85           HA       SER  85   8.411   6.298  -9.988
  659    HG   SER  85           HG       SER  85  10.579   6.198 -12.682
  660   1HB   GLU  86          2HB       GLU  86   7.418   1.608  -6.920
  661   2HB   GLU  86          1HB       GLU  86   8.461   0.371  -7.603
  662   1HG   GLU  86          2HG       GLU  86   9.578   3.035  -6.853
  663   2HG   GLU  86          1HG       GLU  86   9.306   1.796  -5.626
  664    H    GLU  86           H        GLU  86   8.915   3.851  -7.978
  665    HA   GLU  86           HA       GLU  86   8.804   1.532  -9.564
  666   1HB   ARG  87          2HB       ARG  87   5.215  -1.169 -11.256
  667   2HB   ARG  87          1HB       ARG  87   3.887  -0.150 -11.787
  668   1HG   ARG  87          2HG       ARG  87   5.291   1.334 -12.878
  669   2HG   ARG  87          1HG       ARG  87   6.705   0.832 -11.951
  670   1HD   ARG  87          2HD       ARG  87   6.812  -1.255 -13.119
  671   2HD   ARG  87          1HD       ARG  87   5.274  -0.938 -13.923
  672   1HH1  ARG  87          1HH1      ARG  87   8.505  -0.414 -12.809
  673   2HH1  ARG  87          2HH1      ARG  87   9.915   0.216 -13.591
  674   1HH2  ARG  87          1HH2      ARG  87   8.209   1.278 -16.452
  675   2HH2  ARG  87          2HH2      ARG  87   9.747   1.179 -15.662
  676    H    ARG  87           H        ARG  87   6.863   0.010  -9.483
  677    HA   ARG  87           HA       ARG  87   4.429   1.530 -10.154
  678    HE   ARG  87           HE       ARG  87   6.358   0.446 -15.413
  679   1HB   TRP  88          2HB       TRP  88   3.732   0.966  -5.530
  680   2HB   TRP  88          1HB       TRP  88   2.803  -0.377  -4.880
  681    H    TRP  88           H        TRP  88   3.597   1.415  -8.055
  682    HA   TRP  88           HA       TRP  88   2.686  -1.272  -7.260
  683    HD1  TRP  88           HD1      TRP  88   6.203   0.624  -5.120
  684    HE1  TRP  88           HE1      TRP  88   7.826  -1.373  -5.079
  685    HE3  TRP  88           HE3      TRP  88   2.890  -3.123  -6.148
  686    HZ2  TRP  88           HZ2      TRP  88   7.707  -4.176  -5.427
  687    HZ3  TRP  88           HZ3      TRP  88   3.723  -5.434  -6.278
  688    HH2  TRP  88           HH2      TRP  88   6.083  -5.949  -5.926
  689   1HB   ASP  89          2HB       ASP  89  -0.962  -1.237  -4.452
  690   2HB   ASP  89          1HB       ASP  89  -2.333  -0.130  -4.415
  691    H    ASP  89           H        ASP  89   1.137  -0.445  -5.094
  692    HA   ASP  89           HA       ASP  89  -1.045   0.959  -6.474
  693    H    ALA  90           H        ALA  90  -2.232   0.999  -3.583
  694    HA   ALA  90           HA       ALA  90  -0.619   2.903  -2.191
  695   1HB   ALA  90          3HB       ALA  90  -1.258   4.544  -3.682
  696   2HB   ALA  90          1HB       ALA  90  -2.463   4.714  -2.403
  697   3HB   ALA  90          2HB       ALA  90  -2.874   3.869  -3.896
  698   1HB   TYR  91          2HB       TYR  91  -0.810   1.491   1.908
  699   2HB   TYR  91          1HB       TYR  91  -2.207   1.166   2.927
  700    H    TYR  91           H        TYR  91  -0.981   2.406  -0.150
  701    HA   TYR  91           HA       TYR  91  -3.516   1.230   0.650
  702    HD1  TYR  91           HD1      TYR  91  -3.810  -0.679   1.430
  703    HD2  TYR  91           HD2      TYR  91   0.428  -0.449   1.706
  704    HE1  TYR  91           HE1      TYR  91  -3.654  -3.072   0.898
  705    HE2  TYR  91           HE2      TYR  91   0.599  -2.842   1.171
  706    HH   TYR  91           HH       TYR  91  -1.042  -4.550  -0.173
  707   1HB   CYS  92          2HB       CYS  92  -6.708   4.479   0.498
  708   2HB   CYS  92          1HB       CYS  92  -6.650   6.067   1.246
  709    H    CYS  92           H        CYS  92  -4.663   3.285   0.247
  710    HA   CYS  92           HA       CYS  92  -4.192   5.630   1.688
  711   1HB   TYR  93          2HB       TYR  93  -4.536   4.915   5.742
  712   2HB   TYR  93          1HB       TYR  93  -4.975   6.558   6.202
  713    H    TYR  93           H        TYR  93  -5.878   6.524   3.260
  714    HA   TYR  93           HA       TYR  93  -6.999   4.609   5.107
  715    HD1  TYR  93           HD1      TYR  93  -7.486   6.337   7.556
  716    HD2  TYR  93           HD2      TYR  93  -4.187   3.649   7.642
  717    HE1  TYR  93           HE1      TYR  93  -8.206   5.533   9.765
  718    HE2  TYR  93           HE2      TYR  93  -4.901   2.837   9.850
  719    HH   TYR  93           HH       TYR  93  -6.231   3.581  11.745
  720   1HB   ASN  94          2HB       ASN  94  -9.181   8.662   4.310
  721   2HB   ASN  94          1HB       ASN  94 -10.309   7.385   3.862
  722   1HD2  ASN  94          1HD2      ASN  94 -11.361   9.288   2.853
  723   2HD2  ASN  94          2HD2      ASN  94 -12.490  10.178   3.811
  724    H    ASN  94           H        ASN  94  -8.896   5.389   5.689
  725    HA   ASN  94           HA       ASN  94  -9.292   8.030   6.635
  726   1HB   PRO  95          2HB       PRO  95 -13.221   7.130  10.286
  727   2HB   PRO  95          1HB       PRO  95 -11.822   6.076  10.525
  728   1HG   PRO  95          2HG       PRO  95 -11.920   8.927   9.631
  729   2HG   PRO  95          1HG       PRO  95 -10.785   8.139  10.742
  730   1HD   PRO  95          2HD       PRO  95 -10.131   8.689   8.191
  731   2HD   PRO  95          1HD       PRO  95  -9.531   7.238   9.022
  732    HA   PRO  95           HA       PRO  95 -12.349   5.271   8.454
  733   1HB   HIS  96          2HB       HIS  96 -14.591  10.047   7.321
  734   2HB   HIS  96          1HB       HIS  96 -14.068  10.175   5.644
  735    H    HIS  96           H        HIS  96 -12.715   8.010   6.575
  736    HA   HIS  96           HA       HIS  96 -15.653   7.830   6.691
  737    HD1  HIS  96           HD1      HIS  96 -15.558  12.292   5.347
  738    HD2  HIS  96           HD2      HIS  96 -17.648   8.823   6.274
  739    HE1  HIS  96           HE1      HIS  96 -17.970  12.814   4.869
  740    HE2  HIS  96           HE2      HIS  96 -19.199  10.662   5.325
  741    H    ALA  97           H        ALA  97 -12.953   7.089   4.869
  742    HA   ALA  97           HA       ALA  97 -14.122   7.499   2.259
  743   1HB   ALA  97          3HB       ALA  97 -11.533   6.502   3.304
  744   2HB   ALA  97          1HB       ALA  97 -11.867   7.682   2.037
  745   3HB   ALA  97          2HB       ALA  97 -12.027   5.959   1.700
  746   1HB   LYS  98          2HB       LYS  98 -15.101   3.495   4.626
  747   2HB   LYS  98          1HB       LYS  98 -16.830   3.251   4.838
  748   1HG   LYS  98          2HG       LYS  98 -16.452   1.493   2.899
  749   2HG   LYS  98          1HG       LYS  98 -14.809   1.508   3.546
  750   1HD   LYS  98          2HD       LYS  98 -15.749  -0.147   4.827
  751   2HD   LYS  98          1HD       LYS  98 -16.050   1.261   5.846
  752   1HE   LYS  98          2HE       LYS  98 -18.187   0.969   3.965
  753   2HE   LYS  98          1HE       LYS  98 -17.929  -0.562   4.801
  754    H    LYS  98           H        LYS  98 -15.992   6.111   3.433
  755    HA   LYS  98           HA       LYS  98 -15.948   3.576   2.042
  756   1HZ   LYS  98          2HZ       LYS  98 -18.350   2.070   6.113
  757   2HZ   LYS  98          1HZ       LYS  98 -19.505   0.841   5.978
  758   3HZ   LYS  98          3HZ       LYS  98 -18.114   0.598   6.911

  No H/Q in entry =         758
  Start of MODEL   16
    1   1HA   GLY   1          2HA       GLY   1 -10.615   3.031   7.858
    2   2HA   GLY   1          1HA       GLY   1  -9.367   2.173   8.748
    3    H1   GLY   1          2H        GLY   1  -9.398   5.121   8.451
    4    H2   GLY   1          1H        GLY   1 -10.117   4.314   9.753
    5    H3   GLY   1          3H        GLY   1  -8.447   4.199   9.503
    6    H    VAL   2           H        VAL   2  -7.506   1.680   7.742
    7    HA   VAL   2           HA       VAL   2  -6.635   3.147   5.403
    8    HB   VAL   2           HB       VAL   2  -4.813   2.547   6.708
    9   1HG1  VAL   2          2HG1      VAL   2  -6.485   0.347   7.483
   10   2HG1  VAL   2          1HG1      VAL   2  -4.864  -0.227   7.097
   11   3HG1  VAL   2          3HG1      VAL   2  -5.087   1.034   8.311
   12   1HG2  VAL   2          2HG2      VAL   2  -4.957   1.543   4.190
   13   2HG2  VAL   2          1HG2      VAL   2  -3.506   1.522   5.191
   14   3HG2  VAL   2          3HG2      VAL   2  -4.542   0.097   5.110
   15   1HB   TYR   3          2HB       TYR   3  -9.074   0.757   0.896
   16   2HB   TYR   3          1HB       TYR   3  -9.677   0.896   2.538
   17    H    TYR   3           H        TYR   3  -6.720   2.486   3.324
   18    HA   TYR   3           HA       TYR   3  -7.639  -0.235   2.763
   19    HD1  TYR   3           HD1      TYR   3  -8.260   3.224   3.587
   20    HD2  TYR   3           HD2      TYR   3  -9.874   2.559  -0.290
   21    HE1  TYR   3           HE1      TYR   3  -8.509   5.651   3.282
   22    HE2  TYR   3           HE2      TYR   3 -10.125   4.983  -0.609
   23    HH   TYR   3           HH       TYR   3  -8.604   7.228   1.087
   24   1HB   HIS   4          2HB       HIS   4  -4.566  -1.884   0.430
   25   2HB   HIS   4          1HB       HIS   4  -5.672  -2.511  -0.776
   26    H    HIS   4           H        HIS   4  -7.212  -0.956   0.627
   27    HA   HIS   4           HA       HIS   4  -4.878   0.389  -0.550
   28    HD1  HIS   4           HD1      HIS   4  -2.175  -1.384  -0.310
   29    HD2  HIS   4           HD2      HIS   4  -4.654  -2.558  -3.428
   30    HE1  HIS   4           HE1      HIS   4  -0.646  -1.837  -2.250
   31    HE2  HIS   4           HE2      HIS   4  -2.158  -2.660  -4.087
   32   1HB   ARG   5          2HB       ARG   5  -6.311   3.079  -3.970
   33   2HB   ARG   5          1HB       ARG   5  -7.497   2.495  -5.127
   34   1HG   ARG   5          2HG       ARG   5  -8.023   1.806  -2.315
   35   2HG   ARG   5          1HG       ARG   5  -8.115   3.521  -2.719
   36   1HD   ARG   5          2HD       ARG   5  -9.452   2.274  -4.796
   37   2HD   ARG   5          1HD       ARG   5  -9.935   1.354  -3.372
   38   1HH1  ARG   5          2HH1      ARG   5 -11.690   1.163  -3.461
   39   2HH1  ARG   5          1HH1      ARG   5 -13.253   1.778  -3.037
   40   1HH2  ARG   5          2HH2      ARG   5 -12.184   5.092  -2.719
   41   2HH2  ARG   5          1HH2      ARG   5 -13.534   4.011  -2.616
   42    H    ARG   5           H        ARG   5  -5.051   1.208  -2.525
   43    HA   ARG   5           HA       ARG   5  -7.177   0.200  -4.293
   44    HE   ARG   5           HE       ARG   5 -10.129   4.271  -3.277
   45   1HB   GLU   6          2HB       GLU   6  -6.179  -0.859  -8.154
   46   2HB   GLU   6          1HB       GLU   6  -5.960   0.339  -9.419
   47   1HG   GLU   6          2HG       GLU   6  -4.756  -1.433 -10.233
   48   2HG   GLU   6          1HG       GLU   6  -3.503  -0.494  -9.423
   49    H    GLU   6           H        GLU   6  -6.779   0.937  -6.620
   50    HA   GLU   6           HA       GLU   6  -3.959   0.417  -7.254
   51    H    ALA   7           H        ALA   7  -3.923   1.266  -9.863
   52    HA   ALA   7           HA       ALA   7  -3.548   4.095  -9.512
   53   1HB   ALA   7          3HB       ALA   7  -2.946   3.891 -12.031
   54   2HB   ALA   7          2HB       ALA   7  -1.885   3.168 -10.823
   55   3HB   ALA   7          1HB       ALA   7  -3.013   2.156 -11.723
   56   1HB   ARG   8          2HB       ARG   8  -4.868   6.207 -13.833
   57   2HB   ARG   8          1HB       ARG   8  -6.540   6.685 -14.095
   58   1HG   ARG   8          2HG       ARG   8  -6.098   8.658 -13.209
   59   2HG   ARG   8          1HG       ARG   8  -5.711   7.875 -11.676
   60   1HD   ARG   8          2HD       ARG   8  -3.650   8.684 -11.955
   61   2HD   ARG   8          1HD       ARG   8  -3.454   7.433 -13.182
   62   1HH1  ARG   8          2HH1      ARG   8  -4.058   7.088 -15.011
   63   2HH1  ARG   8          1HH1      ARG   8  -3.908   7.649 -16.643
   64   1HH2  ARG   8          1HH2      ARG   8  -3.546  11.013 -15.761
   65   2HH2  ARG   8          2HH2      ARG   8  -3.616   9.879 -17.070
   66    H    ARG   8           H        ARG   8  -4.184   5.279 -11.833
   67    HA   ARG   8           HA       ARG   8  -6.840   5.981 -11.588
   68    HE   ARG   8           HE       ARG   8  -3.749  10.264 -13.617
   69   1HB   SER   9          2HB       SER   9  -7.650   3.955 -15.605
   70   2HB   SER   9          1HB       SER   9  -7.143   2.491 -16.448
   71    H    SER   9           H        SER   9  -5.396   3.440 -13.543
   72    HA   SER   9           HA       SER   9  -7.818   1.968 -13.663
   73    HG   SER   9           HG       SER   9  -9.185   1.706 -15.127
   74   1HA   GLY  10          2HA       GLY  10  -2.980   0.794 -14.807
   75   2HA   GLY  10          1HA       GLY  10  -4.246  -0.402 -15.041
   76    H    GLY  10           H        GLY  10  -4.636   2.116 -13.545
   77   1HB   LYS  11          2HB       LYS  11  -3.646  -3.824 -12.663
   78   2HB   LYS  11          1HB       LYS  11  -1.970  -4.195 -13.043
   79   1HG   LYS  11          2HG       LYS  11  -1.639  -4.268 -10.488
   80   2HG   LYS  11          1HG       LYS  11  -3.398  -4.407 -10.425
   81   1HD   LYS  11          2HD       LYS  11  -2.859  -6.261 -12.293
   82   2HD   LYS  11          1HD       LYS  11  -1.370  -6.345 -11.350
   83   1HE   LYS  11          2HE       LYS  11  -2.386  -7.397  -9.668
   84   2HE   LYS  11          1HE       LYS  11  -3.722  -6.247  -9.660
   85    H    LYS  11           H        LYS  11  -2.558  -1.827 -14.160
   86    HA   LYS  11           HA       LYS  11  -2.747  -1.917 -11.230
   87   1HZ   LYS  11          3HZ       LYS  11  -4.196  -7.692 -11.889
   88   2HZ   LYS  11          2HZ       LYS  11  -3.562  -8.864 -10.847
   89   3HZ   LYS  11          1HZ       LYS  11  -4.919  -7.968 -10.384
   90   1HB   TYR  12          2HB       TYR  12   1.524  -3.761 -11.498
   91   2HB   TYR  12          1HB       TYR  12   2.890  -3.158 -10.567
   92    H    TYR  12           H        TYR  12  -0.941  -2.145  -9.964
   93    HA   TYR  12           HA       TYR  12   1.218  -1.627  -9.389
   94    HD1  TYR  12           HD1      TYR  12   1.926  -2.931  -7.871
   95    HD2  TYR  12           HD2      TYR  12   1.005  -5.889 -10.786
   96    HE1  TYR  12           HE1      TYR  12   1.427  -4.531  -6.075
   97    HE2  TYR  12           HE2      TYR  12   0.496  -7.499  -8.998
   98    HH   TYR  12           HH       TYR  12   1.221  -7.777  -6.511
   99   1HB   LYS  13          2HB       LYS  13   1.669   2.178 -14.023
  100   2HB   LYS  13          1HB       LYS  13   1.379   0.448 -13.901
  101   1HG   LYS  13          2HG       LYS  13  -0.797   0.807 -13.773
  102   2HG   LYS  13          1HG       LYS  13  -0.568   1.789 -12.325
  103   1HD   LYS  13          2HD       LYS  13  -1.552   3.332 -13.699
  104   2HD   LYS  13          1HD       LYS  13   0.146   3.613 -14.091
  105   1HE   LYS  13          2HE       LYS  13  -0.745   1.531 -15.767
  106   2HE   LYS  13          1HE       LYS  13  -1.989   2.780 -15.804
  107    H    LYS  13           H        LYS  13   0.643   0.528 -10.575
  108    HA   LYS  13           HA       LYS  13   2.951   1.191 -12.183
  109   1HZ   LYS  13          2HZ       LYS  13   0.520   4.014 -15.978
  110   2HZ   LYS  13          1HZ       LYS  13   0.474   2.765 -17.116
  111   3HZ   LYS  13          3HZ       LYS  13  -0.711   3.972 -17.136
  112   1HB   LEU  14          2HB       LEU  14   0.306   2.704  -7.954
  113   2HB   LEU  14          1HB       LEU  14   0.673   4.292  -7.314
  114    H    LEU  14           H        LEU  14   1.566   1.862  -9.586
  115    HA   LEU  14           HA       LEU  14   1.076   4.726  -9.959
  116    HG   LEU  14           HG       LEU  14  -1.503   3.524  -9.241
  117   1HD1  LEU  14          1HD1      LEU  14  -1.318   4.059  -6.432
  118   2HD1  LEU  14          3HD1      LEU  14  -2.371   5.248  -7.202
  119   3HD1  LEU  14          2HD1      LEU  14  -2.709   3.525  -7.379
  120   1HD2  LEU  14          2HD2      LEU  14  -0.011   5.971  -9.205
  121   2HD2  LEU  14          1HD2      LEU  14  -1.352   5.495 -10.246
  122   3HD2  LEU  14          3HD2      LEU  14  -1.672   6.271  -8.694
  123    H    THR  15           H        THR  15   2.104   6.274  -8.568
  124    HA   THR  15           HA       THR  15   4.770   5.399  -7.666
  125    HB   THR  15           HB       THR  15   5.630   7.587  -8.166
  126    HG1  THR  15           HG1      THR  15   3.063   8.314  -7.983
  127   1HG2  THR  15          3HG2      THR  15   3.978   6.372 -10.367
  128   2HG2  THR  15          2HG2      THR  15   5.038   7.754 -10.647
  129   3HG2  THR  15          1HG2      THR  15   5.712   6.225 -10.084
  130   1HB   TYR  16          2HB       TYR  16   6.393   7.607  -3.804
  131   2HB   TYR  16          1HB       TYR  16   6.286   9.220  -4.502
  132    H    TYR  16           H        TYR  16   5.418   7.817  -6.343
  133    HA   TYR  16           HA       TYR  16   3.952   7.398  -3.878
  134    HD1  TYR  16           HD1      TYR  16   4.975   7.289  -1.582
  135    HD2  TYR  16           HD2      TYR  16   6.348  11.030  -3.073
  136    HE1  TYR  16           HE1      TYR  16   4.801   8.243   0.674
  137    HE2  TYR  16           HE2      TYR  16   6.173  11.997  -0.818
  138    HH   TYR  16           HH       TYR  16   4.922  11.561   1.282
  139    H    ALA  17           H        ALA  17   4.793  10.210  -5.891
  140    HA   ALA  17           HA       ALA  17   3.113  12.045  -4.589
  141   1HB   ALA  17          3HB       ALA  17   4.983  12.636  -6.109
  142   2HB   ALA  17          2HB       ALA  17   3.992  12.109  -7.470
  143   3HB   ALA  17          1HB       ALA  17   3.480  13.481  -6.486
  144   1HB   GLU  18          2HB       GLU  18   1.370   8.106  -8.364
  145   2HB   GLU  18          1HB       GLU  18  -0.255   8.433  -8.953
  146   1HG   GLU  18          2HG       GLU  18   0.474  10.081 -10.422
  147   2HG   GLU  18          1HG       GLU  18   2.013  10.278  -9.584
  148    H    GLU  18           H        GLU  18   2.521   9.678  -7.073
  149    HA   GLU  18           HA       GLU  18  -0.029  10.732  -7.868
  150    H    ALA  19           H        ALA  19   0.978   7.846  -6.043
  151    HA   ALA  19           HA       ALA  19  -1.484   6.884  -5.292
  152   1HB   ALA  19          3HB       ALA  19   0.038   5.423  -4.530
  153   2HB   ALA  19          1HB       ALA  19   0.012   6.400  -3.060
  154   3HB   ALA  19          2HB       ALA  19   1.253   6.679  -4.284
  155   1HB   LYS  20          2HB       LYS  20   1.219  10.508  -1.811
  156   2HB   LYS  20          1HB       LYS  20   0.500  11.856  -2.673
  157   1HG   LYS  20          2HG       LYS  20  -0.592  12.639  -0.718
  158   2HG   LYS  20          1HG       LYS  20  -0.204  11.162   0.165
  159   1HD   LYS  20          2HD       LYS  20   2.108  12.612  -0.934
  160   2HD   LYS  20          1HD       LYS  20   1.220  13.460   0.334
  161   1HE   LYS  20          2HE       LYS  20   1.792  10.611   0.839
  162   2HE   LYS  20          1HE       LYS  20   3.190  11.685   0.812
  163    H    LYS  20           H        LYS  20   0.513   9.236  -3.537
  164    HA   LYS  20           HA       LYS  20  -1.204   9.725  -1.416
  165   1HZ   LYS  20          1HZ       LYS  20   1.032  12.784   2.319
  166   2HZ   LYS  20          3HZ       LYS  20   1.504  11.275   2.922
  167   3HZ   LYS  20          2HZ       LYS  20   2.638  12.520   2.778
  168    H    ALA  21           H        ALA  21  -0.902  11.357  -4.535
  169    HA   ALA  21           HA       ALA  21  -2.890  13.290  -4.166
  170   1HB   ALA  21          3HB       ALA  21  -2.963  13.423  -6.630
  171   2HB   ALA  21          1HB       ALA  21  -1.985  11.957  -6.719
  172   3HB   ALA  21          2HB       ALA  21  -1.314  13.423  -6.002
  173    H    VAL  22           H        VAL  22  -3.088   9.940  -5.246
  174    HA   VAL  22           HA       VAL  22  -5.709   9.884  -6.168
  175    HB   VAL  22           HB       VAL  22  -3.807   7.885  -5.097
  176   1HG1  VAL  22          1HG1      VAL  22  -6.769   7.357  -5.220
  177   2HG1  VAL  22          3HG1      VAL  22  -5.529   6.112  -5.078
  178   3HG1  VAL  22          2HG1      VAL  22  -5.740   7.298  -3.790
  179   1HG2  VAL  22          2HG2      VAL  22  -3.992   8.445  -7.486
  180   2HG2  VAL  22          1HG2      VAL  22  -4.337   6.745  -7.165
  181   3HG2  VAL  22          3HG2      VAL  22  -5.659   7.870  -7.476
  182   1HB   CYS  23          2HB       CYS  23  -4.169   9.245  -0.875
  183   2HB   CYS  23          1HB       CYS  23  -5.049  10.398   0.116
  184    H    CYS  23           H        CYS  23  -4.406   9.582  -2.906
  185    HA   CYS  23           HA       CYS  23  -6.892   9.050  -1.621
  186   1HB   GLU  24          2HB       GLU  24  -4.649  14.534  -2.454
  187   2HB   GLU  24          1HB       GLU  24  -5.181  15.428  -1.037
  188   1HG   GLU  24          2HG       GLU  24  -3.975  13.915   0.413
  189   2HG   GLU  24          1HG       GLU  24  -3.504  12.930  -0.971
  190    H    GLU  24           H        GLU  24  -4.817  11.916  -1.543
  191    HA   GLU  24           HA       GLU  24  -6.592  13.662  -0.328
  192   1HB   PHE  25          2HB       PHE  25  -6.833  13.157  -5.984
  193   2HB   PHE  25          1HB       PHE  25  -7.806  11.722  -5.677
  194    H    PHE  25           H        PHE  25  -6.795  12.318  -3.438
  195    HA   PHE  25           HA       PHE  25  -8.380  14.475  -4.560
  196    HD1  PHE  25           HD1      PHE  25  -7.922  15.116  -7.158
  197    HD2  PHE  25           HD2      PHE  25  -9.684  11.247  -6.978
  198    HE1  PHE  25           HE1      PHE  25  -9.357  15.685  -9.074
  199    HE2  PHE  25           HE2      PHE  25 -11.122  11.809  -8.894
  200    HZ   PHE  25           HZ       PHE  25 -10.961  14.030  -9.944
  201   1HB   GLU  26          2HB       GLU  26  -9.793   9.290  -2.774
  202   2HB   GLU  26          1HB       GLU  26 -11.494   9.114  -2.374
  203   1HG   GLU  26          2HG       GLU  26 -11.327   9.829  -5.106
  204   2HG   GLU  26          1HG       GLU  26 -10.169   8.532  -4.813
  205    H    GLU  26           H        GLU  26  -8.837  11.308  -3.136
  206    HA   GLU  26           HA       GLU  26 -11.711  11.411  -3.645
  207   1HA   GLY  27          1HA       GLY  27 -11.665  12.496   0.709
  208   2HA   GLY  27          2HA       GLY  27 -10.252  13.541   0.638
  209    H    GLY  27           H        GLY  27  -9.485  12.266  -1.260
  210   1HA   GLY  28          2HA       GLY  28  -8.057   9.839   2.309
  211   2HA   GLY  28          1HA       GLY  28  -8.019  11.176   3.452
  212    H    GLY  28           H        GLY  28  -8.111  12.275   0.888
  213   1HB   HIS  29          2HB       HIS  29  -2.384  10.914   3.819
  214   2HB   HIS  29          1HB       HIS  29  -3.611  12.140   3.516
  215    H    HIS  29           H        HIS  29  -5.906   9.481   3.401
  216    HA   HIS  29           HA       HIS  29  -3.838  10.652   1.713
  217    HD1  HIS  29           HD1      HIS  29  -5.021  12.685   5.469
  218    HD2  HIS  29           HD2      HIS  29  -3.426   8.858   5.737
  219    HE1  HIS  29           HE1      HIS  29  -5.755  11.806   7.708
  220    HE2  HIS  29           HE2      HIS  29  -4.730   9.511   7.873
  221   1HB   LEU  30          2HB       LEU  30   0.413   8.438   2.298
  222   2HB   LEU  30          1HB       LEU  30   0.485   6.708   2.057
  223    H    LEU  30           H        LEU  30  -1.671   9.533   2.190
  224    HA   LEU  30           HA       LEU  30  -2.042   6.740   1.889
  225    HG   LEU  30           HG       LEU  30  -0.390   8.816   0.099
  226   1HD1  LEU  30          2HD1      LEU  30   2.045   8.151   0.414
  227   2HD1  LEU  30          1HD1      LEU  30   1.593   6.590  -0.268
  228   3HD1  LEU  30          3HD1      LEU  30   1.398   8.058  -1.224
  229   1HD2  LEU  30          3HD2      LEU  30  -1.574   6.292   0.379
  230   2HD2  LEU  30          2HD2      LEU  30  -1.716   7.405  -0.983
  231   3HD2  LEU  30          1HD2      LEU  30  -0.466   6.160  -0.986
  232    H    ALA  31           H        ALA  31  -2.239   5.223   3.409
  233    HA   ALA  31           HA       ALA  31  -2.292   5.786   6.149
  234   1HB   ALA  31          1HB       ALA  31  -2.292   3.288   4.540
  235   2HB   ALA  31          3HB       ALA  31  -2.019   3.178   6.279
  236   3HB   ALA  31          2HB       ALA  31  -3.502   3.911   5.662
  237    H    THR  32           H        THR  32  -0.915   3.784   7.418
  238    HA   THR  32           HA       THR  32   1.916   4.325   6.841
  239    HB   THR  32           HB       THR  32   2.390   5.192   8.859
  240    HG1  THR  32           HG1      THR  32   2.067   3.513  10.202
  241   1HG2  THR  32          2HG2      THR  32  -0.042   6.114   7.978
  242   2HG2  THR  32          1HG2      THR  32  -0.368   5.709   9.663
  243   3HG2  THR  32          3HG2      THR  32   0.925   6.840   9.262
  244   1HB   TYR  33          2HB       TYR  33   5.086   1.262   7.939
  245   2HB   TYR  33          1HB       TYR  33   4.716   1.025   9.641
  246    H    TYR  33           H        TYR  33   3.391   2.821   7.990
  247    HA   TYR  33           HA       TYR  33   2.823   0.168   7.456
  248    HD1  TYR  33           HD1      TYR  33   5.184  -0.795   6.436
  249    HD2  TYR  33           HD2      TYR  33   5.120  -1.035  10.683
  250    HE1  TYR  33           HE1      TYR  33   6.076  -3.082   6.314
  251    HE2  TYR  33           HE2      TYR  33   6.014  -3.323  10.572
  252    HH   TYR  33           HH       TYR  33   7.482  -4.640   8.744
  253   1HB   LYS  34          2HB       LYS  34   2.287   2.439  12.510
  254   2HB   LYS  34          1HB       LYS  34   0.730   1.969  13.169
  255   1HG   LYS  34          2HG       LYS  34   2.268   0.067  14.266
  256   2HG   LYS  34          1HG       LYS  34   3.451   1.369  14.122
  257   1HD   LYS  34          2HD       LYS  34   2.595   2.353  15.919
  258   2HD   LYS  34          1HD       LYS  34   1.034   2.486  15.106
  259   1HE   LYS  34          2HE       LYS  34   0.504   1.281  17.008
  260   2HE   LYS  34          1HE       LYS  34   0.732   0.014  15.803
  261    H    LYS  34           H        LYS  34   2.857   1.744  10.644
  262    HA   LYS  34           HA       LYS  34   2.014  -0.380  12.190
  263   1HZ   LYS  34          1HZ       LYS  34   2.869   0.896  17.660
  264   2HZ   LYS  34          3HZ       LYS  34   1.829  -0.398  17.987
  265   3HZ   LYS  34          2HZ       LYS  34   2.873  -0.468  16.658
  266   1HB   GLN  35          2HB       GLN  35  -1.878   2.278   8.580
  267   2HB   GLN  35          1HB       GLN  35  -3.366   2.384   9.507
  268   1HG   GLN  35          2HG       GLN  35  -1.987   3.638  11.248
  269   2HG   GLN  35          1HG       GLN  35  -0.763   3.782   9.988
  270   1HE2  GLN  35          1HE2      GLN  35  -3.181   5.377  11.429
  271   2HE2  GLN  35          2HE2      GLN  35  -3.681   6.417  10.142
  272    H    GLN  35           H        GLN  35   0.036   2.014  10.474
  273    HA   GLN  35           HA       GLN  35  -2.471   1.078  11.282
  274   1HB   LEU  36          2HB       LEU  36   0.724  -1.052   7.307
  275   2HB   LEU  36          1HB       LEU  36   0.495  -2.787   7.212
  276    H    LEU  36           H        LEU  36  -0.274   0.012   8.771
  277    HA   LEU  36           HA       LEU  36  -2.086  -1.652   7.371
  278    HG   LEU  36           HG       LEU  36   0.609  -1.946   4.982
  279   1HD1  LEU  36          2HD1      LEU  36  -1.644  -3.296   5.990
  280   2HD1  LEU  36          1HD1      LEU  36  -2.237  -2.145   4.792
  281   3HD1  LEU  36          3HD1      LEU  36  -1.004  -3.325   4.346
  282   1HD2  LEU  36          2HD2      LEU  36  -0.661   0.325   6.092
  283   2HD2  LEU  36          1HD2      LEU  36  -0.003   0.119   4.469
  284   3HD2  LEU  36          3HD2      LEU  36  -1.689  -0.283   4.794
  285   1HB   GLU  37          2HB       GLU  37   1.272  -3.486  11.743
  286   2HB   GLU  37          1HB       GLU  37  -0.069  -2.806  12.649
  287   1HG   GLU  37          2HG       GLU  37  -0.593  -5.271  13.238
  288   2HG   GLU  37          1HG       GLU  37   1.082  -5.555  12.762
  289    H    GLU  37           H        GLU  37  -0.147  -2.065  10.236
  290    HA   GLU  37           HA       GLU  37  -0.319  -4.877  10.460
  291    H    ALA  38           H        ALA  38  -2.102  -2.319  12.146
  292    HA   ALA  38           HA       ALA  38  -3.948  -3.880  13.488
  293   1HB   ALA  38          2HB       ALA  38  -3.637  -1.441  13.805
  294   2HB   ALA  38          3HB       ALA  38  -5.331  -1.906  13.641
  295   3HB   ALA  38          1HB       ALA  38  -4.484  -1.167  12.282
  296    H    ALA  39           H        ALA  39  -3.825  -2.923  10.150
  297    HA   ALA  39           HA       ALA  39  -6.508  -3.707   9.501
  298   1HB   ALA  39          3HB       ALA  39  -4.164  -3.328   7.642
  299   2HB   ALA  39          1HB       ALA  39  -5.211  -2.026   8.208
  300   3HB   ALA  39          2HB       ALA  39  -5.875  -3.321   7.210
  301   1HB   ARG  40          2HB       ARG  40  -1.761  -6.782   8.401
  302   2HB   ARG  40          1HB       ARG  40  -1.866  -7.188  10.109
  303   1HG   ARG  40          2HG       ARG  40  -2.318  -9.546   9.454
  304   2HG   ARG  40          1HG       ARG  40  -2.015  -9.086   7.778
  305   1HD   ARG  40          2HD       ARG  40   0.041  -9.902   8.445
  306   2HD   ARG  40          1HD       ARG  40   0.226  -8.166   8.691
  307   1HH1  ARG  40          1HH1      ARG  40   2.127  -8.745   9.153
  308   2HH1  ARG  40          2HH1      ARG  40   3.214  -8.861  10.495
  309   1HH2  ARG  40          1HH2      ARG  40   0.725  -9.668  12.814
  310   2HH2  ARG  40          2HH2      ARG  40   2.417  -9.385  12.576
  311    H    ARG  40           H        ARG  40  -3.391  -5.232   9.632
  312    HA   ARG  40           HA       ARG  40  -4.100  -7.546   8.104
  313    HE   ARG  40           HE       ARG  40  -0.699  -9.511  11.038
  314   1HB   LYS  41          2HB       LYS  41  -5.776  -6.498  13.416
  315   2HB   LYS  41          1HB       LYS  41  -5.739  -7.905  14.469
  316   1HG   LYS  41          2HG       LYS  41  -3.139  -7.711  14.048
  317   2HG   LYS  41          1HG       LYS  41  -3.564  -6.029  13.727
  318   1HD   LYS  41          2HD       LYS  41  -3.136  -5.986  15.996
  319   2HD   LYS  41          1HD       LYS  41  -4.886  -6.218  15.962
  320   1HE   LYS  41          2HE       LYS  41  -4.746  -8.244  16.901
  321   2HE   LYS  41          1HE       LYS  41  -3.386  -8.718  15.884
  322    H    LYS  41           H        LYS  41  -4.140  -6.677  11.503
  323    HA   LYS  41           HA       LYS  41  -4.467  -9.125  12.706
  324   1HZ   LYS  41          3HZ       LYS  41  -2.329  -6.876  17.590
  325   2HZ   LYS  41          2HZ       LYS  41  -3.390  -7.752  18.574
  326   3HZ   LYS  41          1HZ       LYS  41  -2.171  -8.555  17.721
  327   1HG1  ILE  42          1HG1      ILE  42  -8.352  -5.775   9.242
  328   2HG1  ILE  42          2HG1      ILE  42  -8.171  -7.394   8.575
  329    H    ILE  42           H        ILE  42  -6.757  -7.312  10.803
  330    HA   ILE  42           HA       ILE  42  -8.974  -9.033  11.569
  331    HB   ILE  42           HB       ILE  42 -10.372  -7.634  10.242
  332   1HG2  ILE  42          1HG2      ILE  42  -9.496  -6.738  12.417
  333   2HG2  ILE  42          3HG2      ILE  42  -8.341  -5.789  11.482
  334   3HG2  ILE  42          2HG2      ILE  42 -10.072  -5.517  11.284
  335   1HD1  ILE  42          2HD1      ILE  42 -10.926  -6.489   8.557
  336   2HD1  ILE  42          1HD1      ILE  42  -9.846  -5.435   7.643
  337   3HD1  ILE  42          3HD1      ILE  42  -9.937  -7.153   7.256
  338   1HA   GLY  43          1HA       GLY  43  -8.068 -10.782   7.459
  339   2HA   GLY  43          2HA       GLY  43  -6.326 -10.711   7.691
  340    H    GLY  43           H        GLY  43  -6.771  -8.546   8.894
  341   1HB   PHE  44          2HB       PHE  44  -6.953  -5.681   6.266
  342   2HB   PHE  44          1HB       PHE  44  -5.195  -5.730   6.302
  343    H    PHE  44           H        PHE  44  -5.917  -7.999   7.240
  344    HA   PHE  44           HA       PHE  44  -6.922  -7.485   4.545
  345    HD1  PHE  44           HD1      PHE  44  -7.221  -6.091   3.252
  346    HD2  PHE  44           HD2      PHE  44  -4.809  -3.501   5.611
  347    HE1  PHE  44           HE1      PHE  44  -7.146  -4.478   1.395
  348    HE2  PHE  44           HE2      PHE  44  -4.731  -1.881   3.761
  349    HZ   PHE  44           HZ       PHE  44  -5.901  -2.368   1.649
  350   1HB   HIS  45          2HB       HIS  45  -2.413 -10.675   3.394
  351   2HB   HIS  45          1HB       HIS  45  -4.095 -10.902   3.855
  352    H    HIS  45           H        HIS  45  -5.755  -9.029   3.368
  353    HA   HIS  45           HA       HIS  45  -2.863  -8.495   3.185
  354    HD1  HIS  45           HD1      HIS  45  -5.641 -12.043   2.178
  355    HD2  HIS  45           HD2      HIS  45  -1.795 -11.421   0.725
  356    HE1  HIS  45           HE1      HIS  45  -5.492 -13.389   0.061
  357    HE2  HIS  45           HE2      HIS  45  -3.137 -13.056  -0.760
  358    H    VAL  46           H        VAL  46  -2.010  -8.088   1.239
  359    HA   VAL  46           HA       VAL  46  -3.401  -8.744  -1.205
  360    HB   VAL  46           HB       VAL  46  -4.429  -6.788  -1.492
  361   1HG1  VAL  46          2HG1      VAL  46  -3.323  -6.400   1.126
  362   2HG1  VAL  46          1HG1      VAL  46  -3.347  -4.873   0.246
  363   3HG1  VAL  46          3HG1      VAL  46  -4.836  -5.796   0.451
  364   1HG2  VAL  46          2HG2      VAL  46  -2.452  -6.297  -2.842
  365   2HG2  VAL  46          1HG2      VAL  46  -3.124  -4.831  -2.128
  366   3HG2  VAL  46          3HG2      VAL  46  -1.675  -5.562  -1.440
  367   1HB   CYS  47          2HB       CYS  47   0.087  -9.862  -4.777
  368   2HB   CYS  47          1HB       CYS  47   1.168 -10.710  -3.676
  369    H    CYS  47           H        CYS  47  -1.874  -9.479  -2.516
  370    HA   CYS  47           HA       CYS  47   0.874  -9.208  -2.008
  371    H    ALA  48           H        ALA  48  -1.061  -6.814  -2.968
  372    HA   ALA  48           HA       ALA  48   0.859  -5.642  -4.850
  373   1HB   ALA  48          2HB       ALA  48  -1.764  -5.739  -5.176
  374   2HB   ALA  48          3HB       ALA  48  -0.814  -4.356  -5.724
  375   3HB   ALA  48          1HB       ALA  48  -1.699  -4.273  -4.198
  376    H    ALA  49           H        ALA  49   2.270  -4.210  -4.133
  377    HA   ALA  49           HA       ALA  49   2.368  -3.420  -1.436
  378   1HB   ALA  49          2HB       ALA  49   4.474  -3.135  -2.077
  379   2HB   ALA  49          1HB       ALA  49   4.008  -3.153  -3.779
  380   3HB   ALA  49          3HB       ALA  49   3.976  -1.640  -2.871
  381   1HA   GLY  50          2HA       GLY  50  -0.015   0.018  -0.307
  382   2HA   GLY  50          1HA       GLY  50   0.313   0.424  -1.984
  383    H    GLY  50           H        GLY  50   1.942  -1.483  -0.422
  384   1HB   TRP  51          2HB       TRP  51   1.574   4.590  -2.644
  385   2HB   TRP  51          1HB       TRP  51   2.930   5.449  -1.917
  386    H    TRP  51           H        TRP  51   1.287   2.308  -2.285
  387    HA   TRP  51           HA       TRP  51   3.602   3.145  -0.955
  388    HD1  TRP  51           HD1      TRP  51   2.025   3.343  -4.864
  389    HE1  TRP  51           HE1      TRP  51   4.121   2.876  -6.288
  390    HE3  TRP  51           HE3      TRP  51   5.612   5.016  -1.619
  391    HZ2  TRP  51           HZ2      TRP  51   6.917   3.183  -6.071
  392    HZ3  TRP  51           HZ3      TRP  51   7.972   4.896  -2.309
  393    HH2  TRP  51           HH2      TRP  51   8.608   3.999  -4.489
  394   1HB   MET  52          2HB       MET  52   2.188   4.090   4.450
  395   2HB   MET  52          1HB       MET  52   1.040   3.550   3.234
  396   1HG   MET  52          2HG       MET  52   2.379   1.809   2.546
  397   2HG   MET  52          1HG       MET  52   3.852   2.567   3.147
  398    H    MET  52           H        MET  52   3.822   3.724   1.086
  399    HA   MET  52           HA       MET  52   1.849   5.509   2.296
  400   1HE   MET  52          2HE       MET  52   3.699  -0.067   3.320
  401   2HE   MET  52          1HE       MET  52   4.148  -0.449   4.982
  402   3HE   MET  52          3HE       MET  52   2.556  -0.901   4.373
  403    H    ALA  53           H        ALA  53   2.752   6.113   4.622
  404    HA   ALA  53           HA       ALA  53   4.306   7.444   5.651
  405   1HB   ALA  53          2HB       ALA  53   6.011   6.224   6.505
  406   2HB   ALA  53          1HB       ALA  53   5.094   4.899   5.789
  407   3HB   ALA  53          3HB       ALA  53   6.480   5.575   4.933
  408   1HB   LYS  54          2HB       LYS  54   9.031   8.310   4.966
  409   2HB   LYS  54          1HB       LYS  54   9.702   8.648   3.377
  410   1HG   LYS  54          2HG       LYS  54   9.692  10.945   3.720
  411   2HG   LYS  54          1HG       LYS  54   8.521  10.840   5.035
  412   1HD   LYS  54          2HD       LYS  54  10.202   9.749   6.443
  413   2HD   LYS  54          1HD       LYS  54  11.374   9.860   5.127
  414   1HE   LYS  54          2HE       LYS  54  10.781  12.406   5.217
  415   2HE   LYS  54          1HE       LYS  54  10.242  12.017   6.850
  416    H    LYS  54           H        LYS  54   7.017   7.809   5.231
  417    HA   LYS  54           HA       LYS  54   7.160   9.889   3.475
  418   1HZ   LYS  54          2HZ       LYS  54  12.889  11.088   6.021
  419   2HZ   LYS  54          1HZ       LYS  54  12.701  12.735   6.358
  420   3HZ   LYS  54          3HZ       LYS  54  12.347  11.582   7.546
  421   1HA   GLY  55          1HA       GLY  55   8.056   6.959   0.004
  422   2HA   GLY  55          2HA       GLY  55   6.352   6.554   0.160
  423    H    GLY  55           H        GLY  55   6.999   6.563   2.706
  424   1HB   ARG  56          2HB       ARG  56   8.038   3.398   3.987
  425   2HB   ARG  56          1HB       ARG  56   6.544   2.485   3.825
  426   1HG   ARG  56          2HG       ARG  56   7.994   0.531   3.098
  427   2HG   ARG  56          1HG       ARG  56   9.367   1.478   3.673
  428   1HD   ARG  56          2HD       ARG  56   7.291   1.493   5.646
  429   2HD   ARG  56          1HD       ARG  56   7.646  -0.169   5.175
  430   1HH1  ARG  56          1HH1      ARG  56   7.445   2.264   7.099
  431   2HH1  ARG  56          2HH1      ARG  56   8.368   2.742   8.484
  432   1HH2  ARG  56          1HH2      ARG  56  11.236   0.974   7.543
  433   2HH2  ARG  56          2HH2      ARG  56  10.524   2.009   8.736
  434    H    ARG  56           H        ARG  56   6.724   4.815   2.450
  435    HA   ARG  56           HA       ARG  56   8.483   2.698   1.537
  436    HE   ARG  56           HE       ARG  56  10.009   0.350   5.724
  437    H    VAL  57           H        VAL  57   7.873   0.856   0.530
  438    HA   VAL  57           HA       VAL  57   4.995   0.529  -0.014
  439    HB   VAL  57           HB       VAL  57   5.382   0.237  -2.197
  440   1HG1  VAL  57          1HG1      VAL  57   7.964   1.414  -1.255
  441   2HG1  VAL  57          3HG1      VAL  57   7.718   1.055  -2.964
  442   3HG1  VAL  57          2HG1      VAL  57   6.640   2.177  -2.135
  443   1HG2  VAL  57          2HG2      VAL  57   7.679  -1.493  -1.334
  444   2HG2  VAL  57          1HG2      VAL  57   6.162  -1.969  -2.097
  445   3HG2  VAL  57          3HG2      VAL  57   7.389  -1.112  -3.032
  446   1HA   GLY  58          2HA       GLY  58   4.891  -3.240   2.119
  447   2HA   GLY  58          1HA       GLY  58   5.619  -3.830   0.634
  448    H    GLY  58           H        GLY  58   4.058  -1.427   0.282
  449   1HB   TYR  59          2HB       TYR  59   1.594  -7.255  -1.188
  450   2HB   TYR  59          1HB       TYR  59   2.021  -5.618  -1.675
  451    H    TYR  59           H        TYR  59   4.270  -5.729   1.050
  452    HA   TYR  59           HA       TYR  59   1.418  -5.346   0.559
  453    HD1  TYR  59           HD1      TYR  59   4.454  -4.984  -1.827
  454    HD2  TYR  59           HD2      TYR  59   3.187  -9.019  -1.287
  455    HE1  TYR  59           HE1      TYR  59   6.653  -5.771  -2.585
  456    HE2  TYR  59           HE2      TYR  59   5.382  -9.809  -2.057
  457    HH   TYR  59           HH       TYR  59   7.854  -7.558  -3.214
  458   1HB   PRO  60          2HB       PRO  60  -0.451  -8.112   4.829
  459   2HB   PRO  60          1HB       PRO  60   1.004  -7.302   5.410
  460   1HG   PRO  60          2HG       PRO  60  -1.096  -6.320   3.541
  461   2HG   PRO  60          1HG       PRO  60  -0.182  -5.433   4.772
  462   1HD   PRO  60          2HD       PRO  60   0.378  -5.235   2.141
  463   2HD   PRO  60          1HD       PRO  60   1.638  -5.136   3.387
  464    HA   PRO  60           HA       PRO  60   2.106  -8.517   3.834
  465   1HG1  ILE  61          1HG1      ILE  61   1.664 -10.129   0.630
  466   2HG1  ILE  61          2HG1      ILE  61   3.050 -11.207   0.760
  467    H    ILE  61           H        ILE  61   1.897 -10.536   3.081
  468    HA   ILE  61           HA       ILE  61  -0.621 -11.259   1.734
  469    HB   ILE  61           HB       ILE  61   1.767 -12.975   1.362
  470   1HG2  ILE  61          2HG2      ILE  61  -0.721 -13.005   0.358
  471   2HG2  ILE  61          1HG2      ILE  61   0.088 -12.035  -0.873
  472   3HG2  ILE  61          3HG2      ILE  61   0.678 -13.654  -0.499
  473   1HD1  ILE  61          1HD1      ILE  61   1.140 -11.173  -1.560
  474   2HD1  ILE  61          3HD1      ILE  61   2.674 -10.303  -1.513
  475   3HD1  ILE  61          2HD1      ILE  61   2.658 -12.065  -1.438
  476    H    VAL  62           H        VAL  62  -1.903 -12.494   2.893
  477    HA   VAL  62           HA       VAL  62  -0.750 -14.252   4.946
  478    HB   VAL  62           HB       VAL  62  -3.605 -13.315   4.618
  479   1HG1  VAL  62          2HG1      VAL  62  -2.316 -15.306   6.366
  480   2HG1  VAL  62          1HG1      VAL  62  -3.429 -14.191   7.160
  481   3HG1  VAL  62          3HG1      VAL  62  -3.987 -15.187   5.817
  482   1HG2  VAL  62          3HG2      VAL  62  -1.287 -12.120   5.883
  483   2HG2  VAL  62          2HG2      VAL  62  -2.876 -11.429   5.554
  484   3HG2  VAL  62          1HG2      VAL  62  -2.610 -12.368   7.023
  485   1HB   LYS  63          2HB       LYS  63  -4.929 -15.195   1.744
  486   2HB   LYS  63          1HB       LYS  63  -4.488 -15.615   0.096
  487   1HG   LYS  63          2HG       LYS  63  -4.993 -17.940   0.509
  488   2HG   LYS  63          1HG       LYS  63  -5.328 -17.591   2.207
  489   1HD   LYS  63          2HD       LYS  63  -7.462 -17.445   1.506
  490   2HD   LYS  63          1HD       LYS  63  -6.984 -15.826   0.994
  491   1HE   LYS  63          2HE       LYS  63  -7.215 -16.331  -1.165
  492   2HE   LYS  63          1HE       LYS  63  -6.332 -17.845  -0.986
  493    H    LYS  63           H        LYS  63  -2.685 -14.167   2.049
  494    HA   LYS  63           HA       LYS  63  -3.005 -17.091   2.163
  495   1HZ   LYS  63          2HZ       LYS  63  -8.693 -18.373   0.221
  496   2HZ   LYS  63          1HZ       LYS  63  -9.165 -17.378  -1.062
  497   3HZ   LYS  63          3HZ       LYS  63  -8.294 -18.797  -1.367
  498   1HB   PRO  64          2HB       PRO  64   1.038 -19.248  -0.793
  499   2HB   PRO  64          1HB       PRO  64   1.699 -17.985   0.249
  500   1HG   PRO  64          2HG       PRO  64  -0.465 -19.966   0.804
  501   2HG   PRO  64          1HG       PRO  64   0.820 -19.377   1.872
  502   1HD   PRO  64          1HD       PRO  64  -1.721 -18.489   2.051
  503   2HD   PRO  64          2HD       PRO  64  -0.327 -17.443   2.395
  504    HA   PRO  64           HA       PRO  64   0.335 -16.592  -0.929
  505   1HA   GLY  65          2HA       GLY  65  -1.770 -18.013  -4.417
  506   2HA   GLY  65          1HA       GLY  65  -0.900 -19.520  -4.176
  507    H    GLY  65           H        GLY  65   0.626 -17.463  -3.044
  508   1HB   PRO  66          2HB       PRO  66  -0.427 -18.344  -9.912
  509   2HB   PRO  66          1HB       PRO  66  -0.086 -19.896  -9.140
  510   1HG   PRO  66          2HG       PRO  66  -2.377 -18.018  -8.695
  511   2HG   PRO  66          1HG       PRO  66  -2.391 -19.785  -8.839
  512   1HD   PRO  66          2HD       PRO  66  -2.505 -18.512  -6.448
  513   2HD   PRO  66          1HD       PRO  66  -1.724 -20.094  -6.654
  514    HA   PRO  66           HA       PRO  66   1.339 -18.617  -7.870
  515   1HB   ASN  67          2HB       ASN  67   0.941 -15.372 -10.785
  516   2HB   ASN  67          1HB       ASN  67   0.201 -14.016  -9.938
  517   1HD2  ASN  67          1HD2      ASN  67   2.783 -15.025 -12.033
  518   2HD2  ASN  67          2HD2      ASN  67   3.246 -13.444 -12.555
  519    H    ASN  67           H        ASN  67   2.400 -16.901  -8.664
  520    HA   ASN  67           HA       ASN  67   2.955 -14.738  -9.108
  521   1HB   CYS  68          2HB       CYS  68  -0.720 -14.642  -5.751
  522   2HB   CYS  68          1HB       CYS  68  -0.419 -14.257  -4.060
  523    H    CYS  68           H        CYS  68   1.861 -15.400  -6.462
  524    HA   CYS  68           HA       CYS  68   1.358 -12.670  -5.589
  525   1HA   GLY  69          2HA       GLY  69   2.085 -16.787  -2.238
  526   2HA   GLY  69          1HA       GLY  69   2.410 -15.136  -1.729
  527    H    GLY  69           H        GLY  69   1.074 -15.898  -4.101
  528   1HB   PHE  70          2HB       PHE  70   6.266 -13.367  -1.492
  529   2HB   PHE  70          1HB       PHE  70   7.847 -14.129  -1.632
  530    H    PHE  70           H        PHE  70   4.458 -14.447  -1.738
  531    HA   PHE  70           HA       PHE  70   6.414 -15.417  -3.589
  532    HD1  PHE  70           HD1      PHE  70   8.917 -14.199  -3.955
  533    HD2  PHE  70           HD2      PHE  70   5.646 -11.672  -2.948
  534    HE1  PHE  70           HE1      PHE  70   9.448 -12.754  -5.873
  535    HE2  PHE  70           HE2      PHE  70   6.170 -10.222  -4.865
  536    HZ   PHE  70           HZ       PHE  70   8.074 -10.763  -6.332
  537   1HA   GLY  71          1HA       GLY  71   7.583 -18.288  -0.315
  538   2HA   GLY  71          2HA       GLY  71   5.997 -19.044  -0.406
  539    H    GLY  71           H        GLY  71   5.108 -16.769  -0.873
  540   1HB   LYS  72          2HB       LYS  72   8.012 -14.867   2.794
  541   2HB   LYS  72          1HB       LYS  72   7.309 -14.747   4.402
  542   1HG   LYS  72          2HG       LYS  72   8.521 -17.248   4.348
  543   2HG   LYS  72          1HG       LYS  72   9.651 -16.176   3.519
  544   1HD   LYS  72          2HD       LYS  72   9.136 -14.589   5.548
  545   2HD   LYS  72          1HD       LYS  72   8.674 -16.098   6.335
  546   1HE   LYS  72          2HE       LYS  72  10.809 -16.926   6.312
  547   2HE   LYS  72          1HE       LYS  72  11.267 -16.000   4.883
  548    H    LYS  72           H        LYS  72   6.981 -16.017   1.161
  549    HA   LYS  72           HA       LYS  72   6.489 -17.220   3.781
  550   1HZ   LYS  72          1HZ       LYS  72  10.643 -14.277   7.052
  551   2HZ   LYS  72          3HZ       LYS  72  11.838 -15.386   7.503
  552   3HZ   LYS  72          2HZ       LYS  72  12.073 -14.392   6.155
  553    H    THR  73           H        THR  73   5.195 -16.083   5.364
  554    HA   THR  73           HA       THR  73   2.979 -14.601   4.109
  555    HB   THR  73           HB       THR  73   1.720 -15.339   6.238
  556    HG1  THR  73           HG1      THR  73   4.105 -16.775   6.417
  557   1HG2  THR  73          2HG2      THR  73   2.499 -17.150   3.972
  558   2HG2  THR  73          1HG2      THR  73   1.355 -17.669   5.209
  559   3HG2  THR  73          3HG2      THR  73   0.995 -16.261   4.210
  560   1HA   GLY  74          2HA       GLY  74   4.201 -11.522   6.983
  561   2HA   GLY  74          1HA       GLY  74   2.467 -11.227   6.924
  562    H    GLY  74           H        GLY  74   2.669 -12.556   4.699
  563   1HG1  ILE  75          1HG1      ILE  75   2.143  -5.702   5.596
  564   2HG1  ILE  75          2HG1      ILE  75   1.966  -6.792   6.967
  565    H    ILE  75           H        ILE  75   3.631  -8.977   7.060
  566    HA   ILE  75           HA       ILE  75   3.103  -7.630   4.666
  567    HB   ILE  75           HB       ILE  75   4.411  -6.863   7.230
  568   1HG2  ILE  75          2HG2      ILE  75   4.681  -5.368   4.647
  569   2HG2  ILE  75          1HG2      ILE  75   4.662  -4.519   6.194
  570   3HG2  ILE  75          3HG2      ILE  75   5.910  -5.720   5.862
  571   1HD1  ILE  75          2HD1      ILE  75   3.322  -4.908   8.203
  572   2HD1  ILE  75          1HD1      ILE  75   2.654  -3.912   6.910
  573   3HD1  ILE  75          3HD1      ILE  75   1.575  -4.802   7.984
  574   1HG1  ILE  76          2HG1      ILE  76   4.254  -9.295   2.107
  575   2HG1  ILE  76          1HG1      ILE  76   4.238  -9.644   0.383
  576    H    ILE  76           H        ILE  76   4.206  -7.619   2.842
  577    HA   ILE  76           HA       ILE  76   7.048  -8.304   2.858
  578    HB   ILE  76           HB       ILE  76   5.580  -7.802   0.320
  579   1HG2  ILE  76          2HG2      ILE  76   7.981  -8.402   0.407
  580   2HG2  ILE  76          1HG2      ILE  76   7.530  -9.954   1.115
  581   3HG2  ILE  76          3HG2      ILE  76   6.998  -9.540  -0.517
  582   1HD1  ILE  76          1HD1      ILE  76   6.449 -10.899   1.810
  583   2HD1  ILE  76          3HD1      ILE  76   4.852 -11.422   2.344
  584   3HD1  ILE  76          2HD1      ILE  76   5.308 -11.574   0.647
  585   1HB   ASP  77          2HB       ASP  77   6.633  -3.242   3.447
  586   2HB   ASP  77          1HB       ASP  77   7.636  -4.055   4.644
  587    H    ASP  77           H        ASP  77   7.934  -6.357   3.602
  588    HA   ASP  77           HA       ASP  77   7.809  -4.157   1.650
  589   1HB   TYR  78          2HB       TYR  78  11.688  -3.599  -0.698
  590   2HB   TYR  78          1HB       TYR  78  13.217  -4.206  -0.075
  591    H    TYR  78           H        TYR  78   9.707  -3.595   0.832
  592    HA   TYR  78           HA       TYR  78  12.139  -4.611   2.118
  593    HD1  TYR  78           HD1      TYR  78  13.089  -6.637   0.966
  594    HD2  TYR  78           HD2      TYR  78  10.319  -5.058  -1.851
  595    HE1  TYR  78           HE1      TYR  78  12.453  -8.924   0.319
  596    HE2  TYR  78           HE2      TYR  78   9.675  -7.340  -2.505
  597    HH   TYR  78           HH       TYR  78  11.120  -9.788  -2.308
  598   1HA   GLY  79          2HA       GLY  79  12.650  -0.453   3.456
  599   2HA   GLY  79          1HA       GLY  79  10.958   0.026   3.439
  600    H    GLY  79           H        GLY  79  10.519  -2.107   2.735
  601   1HG1  ILE  80          1HG1      ILE  80  11.627   3.973   2.930
  602   2HG1  ILE  80          2HG1      ILE  80  12.484   5.503   2.786
  603    H    ILE  80           H        ILE  80  12.278   2.069   2.807
  604    HA   ILE  80           HA       ILE  80  11.599   2.879   0.293
  605    HB   ILE  80           HB       ILE  80  13.949   3.827   1.933
  606   1HG2  ILE  80          2HG2      ILE  80  12.686   4.946  -0.550
  607   2HG2  ILE  80          1HG2      ILE  80  13.608   5.949   0.571
  608   3HG2  ILE  80          3HG2      ILE  80  14.386   4.592  -0.243
  609   1HD1  ILE  80          3HD1      ILE  80  10.726   4.746   0.538
  610   2HD1  ILE  80          2HD1      ILE  80   9.950   5.192   2.057
  611   3HD1  ILE  80          1HD1      ILE  80  11.040   6.324   1.257
  612   1HB   ARG  81          2HB       ARG  81  12.770   1.719  -4.247
  613   2HB   ARG  81          1HB       ARG  81  13.835   0.320  -4.222
  614   1HG   ARG  81          2HG       ARG  81  11.980   0.230  -2.022
  615   2HG   ARG  81          1HG       ARG  81  11.133   0.398  -3.561
  616   1HD   ARG  81          2HD       ARG  81  13.151  -1.716  -2.822
  617   2HD   ARG  81          1HD       ARG  81  11.418  -1.942  -3.056
  618   1HH1  ARG  81          1HH1      ARG  81  11.619  -3.710  -3.702
  619   2HH1  ARG  81          2HH1      ARG  81  11.612  -4.696  -5.127
  620   1HH2  ARG  81          1HH2      ARG  81  12.854  -2.188  -7.221
  621   2HH2  ARG  81          2HH2      ARG  81  12.315  -3.831  -7.126
  622    H    ARG  81           H        ARG  81  12.282   2.483  -1.709
  623    HA   ARG  81           HA       ARG  81  14.675   0.860  -2.082
  624    HE   ARG  81           HE       ARG  81  12.859  -0.898  -5.341
  625   1HB   LEU  82          2HB       LEU  82  17.462   3.452  -2.661
  626   2HB   LEU  82          1HB       LEU  82  17.549   4.481  -4.075
  627    H    LEU  82           H        LEU  82  14.708   3.790  -1.442
  628    HA   LEU  82           HA       LEU  82  15.884   5.652  -2.009
  629    HG   LEU  82           HG       LEU  82  19.398   4.923  -2.548
  630   1HD1  LEU  82          3HD1      LEU  82  17.645   6.826  -3.636
  631   2HD1  LEU  82          2HD1      LEU  82  18.089   7.418  -2.034
  632   3HD1  LEU  82          1HD1      LEU  82  19.344   7.037  -3.214
  633   1HD2  LEU  82          2HD2      LEU  82  17.287   4.836  -0.577
  634   2HD2  LEU  82          1HD2      LEU  82  19.034   4.725  -0.365
  635   3HD2  LEU  82          3HD2      LEU  82  18.252   6.305  -0.430
  636   1HB   ASN  83          2HB       ASN  83  15.036   5.171  -6.890
  637   2HB   ASN  83          1HB       ASN  83  13.817   3.911  -6.721
  638   1HD2  ASN  83          2HD2      ASN  83  12.814   3.588  -8.558
  639   2HD2  ASN  83          1HD2      ASN  83  12.315   4.804  -9.679
  640    H    ASN  83           H        ASN  83  13.600   4.561  -3.773
  641    HA   ASN  83           HA       ASN  83  13.636   6.731  -5.636
  642   1HB   ARG  84          2HB       ARG  84   8.150   7.592  -4.221
  643   2HB   ARG  84          1HB       ARG  84   9.661   7.610  -3.322
  644   1HG   ARG  84          2HG       ARG  84  10.599   9.064  -5.151
  645   2HG   ARG  84          1HG       ARG  84   8.951   9.200  -5.768
  646   1HD   ARG  84          2HD       ARG  84   8.202  10.300  -3.826
  647   2HD   ARG  84          1HD       ARG  84   9.651   9.859  -2.923
  648   1HH1  ARG  84          1HH1      ARG  84  10.532  10.847  -1.919
  649   2HH1  ARG  84          2HH1      ARG  84  11.522  12.241  -1.644
  650   1HH2  ARG  84          1HH2      ARG  84  11.029  13.583  -4.833
  651   2HH2  ARG  84          2HH2      ARG  84  11.804  13.795  -3.299
  652    H    ARG  84           H        ARG  84  11.647   7.427  -5.154
  653    HA   ARG  84           HA       ARG  84   9.479   5.579  -4.665
  654    HE   ARG  84           HE       ARG  84   9.726  11.743  -5.187
  655   1HB   SER  85          2HB       SER  85  11.302   6.464  -9.341
  656   2HB   SER  85          1HB       SER  85  10.447   5.662 -10.659
  657    H    SER  85           H        SER  85  10.652   5.558  -7.315
  658    HA   SER  85           HA       SER  85   8.437   6.599  -8.943
  659    HG   SER  85           HG       SER  85   9.625   8.197  -9.751
  660   1HB   GLU  86          2HB       GLU  86   7.576   1.586  -6.597
  661   2HB   GLU  86          1HB       GLU  86   8.588   0.410  -7.421
  662   1HG   GLU  86          2HG       GLU  86   9.770   2.939  -6.362
  663   2HG   GLU  86          1HG       GLU  86   9.468   1.569  -5.294
  664    H    GLU  86           H        GLU  86   9.062   3.909  -7.359
  665    HA   GLU  86           HA       GLU  86   9.010   1.819  -9.215
  666   1HB   ARG  87          2HB       ARG  87   5.467  -0.820 -11.229
  667   2HB   ARG  87          1HB       ARG  87   4.197   0.280 -11.743
  668   1HG   ARG  87          2HG       ARG  87   5.624   1.252 -13.118
  669   2HG   ARG  87          1HG       ARG  87   6.595   1.757 -11.734
  670   1HD   ARG  87          2HD       ARG  87   8.222   0.472 -12.543
  671   2HD   ARG  87          1HD       ARG  87   7.241  -0.915 -12.074
  672   1HH1  ARG  87          1HH1      ARG  87   9.547   0.082 -13.565
  673   2HH1  ARG  87          2HH1      ARG  87  10.160  -0.234 -15.153
  674   1HH2  ARG  87          1HH2      ARG  87   7.040  -1.042 -16.510
  675   2HH2  ARG  87          2HH2      ARG  87   8.734  -0.873 -16.829
  676    H    ARG  87           H        ARG  87   7.095   0.243  -9.343
  677    HA   ARG  87           HA       ARG  87   4.662   1.790  -9.950
  678    HE   ARG  87           HE       ARG  87   6.245  -0.624 -14.416
  679   1HB   TRP  88          2HB       TRP  88   3.909   0.849  -5.347
  680   2HB   TRP  88          1HB       TRP  88   2.975  -0.548  -4.831
  681    H    TRP  88           H        TRP  88   3.921   1.472  -7.785
  682    HA   TRP  88           HA       TRP  88   2.947  -1.264  -7.275
  683    HD1  TRP  88           HD1      TRP  88   6.373   0.503  -4.897
  684    HE1  TRP  88           HE1      TRP  88   8.016  -1.478  -4.938
  685    HE3  TRP  88           HE3      TRP  88   3.133  -3.199  -6.269
  686    HZ2  TRP  88           HZ2      TRP  88   7.941  -4.251  -5.475
  687    HZ3  TRP  88           HZ3      TRP  88   3.996  -5.489  -6.525
  688    HH2  TRP  88           HH2      TRP  88   6.352  -6.002  -6.138
  689   1HB   ASP  89          2HB       ASP  89  -0.901  -1.198  -4.283
  690   2HB   ASP  89          1HB       ASP  89  -2.320  -0.281  -4.785
  691    H    ASP  89           H        ASP  89   1.325  -0.552  -5.078
  692    HA   ASP  89           HA       ASP  89  -0.829   0.892  -6.465
  693    H    ALA  90           H        ALA  90  -2.192   0.918  -3.696
  694    HA   ALA  90           HA       ALA  90  -0.572   2.777  -2.200
  695   1HB   ALA  90          2HB       ALA  90  -1.285   4.363  -3.778
  696   2HB   ALA  90          3HB       ALA  90  -2.322   4.606  -2.372
  697   3HB   ALA  90          1HB       ALA  90  -2.935   3.741  -3.781
  698   1HB   TYR  91          2HB       TYR  91  -0.731   1.446   1.880
  699   2HB   TYR  91          1HB       TYR  91  -2.093   1.264   2.978
  700    H    TYR  91           H        TYR  91  -0.946   2.365  -0.142
  701    HA   TYR  91           HA       TYR  91  -3.442   1.098   0.680
  702    HD1  TYR  91           HD1      TYR  91  -3.783  -0.736   1.761
  703    HD2  TYR  91           HD2      TYR  91   0.469  -0.506   1.841
  704    HE1  TYR  91           HE1      TYR  91  -3.647  -3.178   1.530
  705    HE2  TYR  91           HE2      TYR  91   0.611  -2.946   1.602
  706    HH   TYR  91           HH       TYR  91  -1.608  -4.992   2.267
  707   1HB   CYS  92          2HB       CYS  92  -6.389   4.305   0.041
  708   2HB   CYS  92          1HB       CYS  92  -6.897   5.468   1.255
  709    H    CYS  92           H        CYS  92  -4.537   3.213   0.109
  710    HA   CYS  92           HA       CYS  92  -4.156   5.610   1.390
  711   1HB   TYR  93          2HB       TYR  93  -4.446   5.165   5.542
  712   2HB   TYR  93          1HB       TYR  93  -4.770   6.892   5.654
  713    H    TYR  93           H        TYR  93  -6.050   6.510   2.871
  714    HA   TYR  93           HA       TYR  93  -6.869   4.809   5.018
  715    HD1  TYR  93           HD1      TYR  93  -6.240   7.759   7.462
  716    HD2  TYR  93           HD2      TYR  93  -5.010   3.690   7.330
  717    HE1  TYR  93           HE1      TYR  93  -6.879   7.496   9.822
  718    HE2  TYR  93           HE2      TYR  93  -5.646   3.413   9.688
  719    HH   TYR  93           HH       TYR  93  -7.594   5.468  11.321
  720   1HB   ASN  94          2HB       ASN  94 -10.328   6.946   4.570
  721   2HB   ASN  94          1HB       ASN  94 -11.212   8.173   5.471
  722   1HD2  ASN  94          2HD2      ASN  94  -9.995  10.357   5.493
  723   2HD2  ASN  94          1HD2      ASN  94  -9.430  10.893   3.948
  724    H    ASN  94           H        ASN  94  -8.284   5.854   6.471
  725    HA   ASN  94           HA       ASN  94  -8.769   8.641   6.452
  726   1HB   PRO  95          2HB       PRO  95 -11.253   9.473  11.220
  727   2HB   PRO  95          1HB       PRO  95  -9.609   8.855  11.413
  728   1HG   PRO  95          2HG       PRO  95 -10.692  10.767   9.389
  729   2HG   PRO  95          1HG       PRO  95  -9.135  10.794  10.238
  730   1HD   PRO  95          2HD       PRO  95  -9.345   9.973   7.688
  731   2HD   PRO  95          1HD       PRO  95  -8.192   9.230   8.817
  732    HA   PRO  95           HA       PRO  95 -10.382   7.017  10.299
  733   1HB   HIS  96          2HB       HIS  96 -13.742  10.266   7.550
  734   2HB   HIS  96          1HB       HIS  96 -15.274   9.616   6.981
  735    H    HIS  96           H        HIS  96 -12.003   8.547   7.739
  736    HA   HIS  96           HA       HIS  96 -14.611   7.775   8.869
  737    HD1  HIS  96           HD1      HIS  96 -17.221  10.467   8.233
  738    HD2  HIS  96           HD2      HIS  96 -13.793  10.395  10.581
  739    HE1  HIS  96           HE1      HIS  96 -17.909  11.420  10.455
  740    HE2  HIS  96           HE2      HIS  96 -15.796  11.452  11.829
  741    H    ALA  97           H        ALA  97 -12.495   6.506   7.021
  742    HA   ALA  97           HA       ALA  97 -13.860   6.215   4.504
  743   1HB   ALA  97          1HB       ALA  97 -12.062   4.331   4.272
  744   2HB   ALA  97          2HB       ALA  97 -11.364   5.094   5.700
  745   3HB   ALA  97          3HB       ALA  97 -11.579   6.027   4.219
  746   1HB   LYS  98          2HB       LYS  98 -16.276   4.547   8.445
  747   2HB   LYS  98          1HB       LYS  98 -17.820   3.811   8.036
  748   1HG   LYS  98          2HG       LYS  98 -16.600   1.571   8.289
  749   2HG   LYS  98          1HG       LYS  98 -15.343   2.507   9.101
  750   1HD   LYS  98          2HD       LYS  98 -17.376   3.447  10.475
  751   2HD   LYS  98          1HD       LYS  98 -18.144   1.947   9.954
  752   1HE   LYS  98          2HE       LYS  98 -15.425   1.595  10.970
  753   2HE   LYS  98          1HE       LYS  98 -16.557   2.230  12.164
  754    H    LYS  98           H        LYS  98 -15.657   5.567   6.421
  755    HA   LYS  98           HA       LYS  98 -15.765   2.628   6.426
  756   1HZ   LYS  98          3HZ       LYS  98 -17.571   0.022  10.602
  757   2HZ   LYS  98          2HZ       LYS  98 -16.255  -0.372  11.588
  758   3HZ   LYS  98          1HZ       LYS  98 -17.651   0.296  12.269

  No H/Q in entry =         758
  Start of MODEL   17
    1   1HA   GLY   1          2HA       GLY   1  -9.252   2.081   8.793
    2   2HA   GLY   1          1HA       GLY   1 -10.156   3.479   8.232
    3    H1   GLY   1          1H        GLY   1 -11.036   1.187   6.853
    4    H2   GLY   1          3H        GLY   1 -11.066   0.873   8.515
    5    H3   GLY   1          2H        GLY   1 -11.908   2.200   7.888
    6    H    VAL   2           H        VAL   2  -7.567   1.427   7.616
    7    HA   VAL   2           HA       VAL   2  -6.855   2.875   5.246
    8    HB   VAL   2           HB       VAL   2  -4.996   2.342   6.533
    9   1HG1  VAL   2          1HG1      VAL   2  -6.546   0.062   7.286
   10   2HG1  VAL   2          3HG1      VAL   2  -4.927  -0.459   6.821
   11   3HG1  VAL   2          2HG1      VAL   2  -5.133   0.758   8.081
   12   1HG2  VAL   2          1HG2      VAL   2  -5.124   1.371   3.987
   13   2HG2  VAL   2          3HG2      VAL   2  -3.658   1.469   4.962
   14   3HG2  VAL   2          2HG2      VAL   2  -4.568  -0.039   4.887
   15   1HB   TYR   3          2HB       TYR   3  -9.392   0.656   0.706
   16   2HB   TYR   3          1HB       TYR   3 -10.022   0.722   2.346
   17    H    TYR   3           H        TYR   3  -7.203   2.337   3.187
   18    HA   TYR   3           HA       TYR   3  -8.009  -0.428   2.594
   19    HD1  TYR   3           HD1      TYR   3  -8.863   2.959   3.622
   20    HD2  TYR   3           HD2      TYR   3  -9.880   2.547  -0.488
   21    HE1  TYR   3           HE1      TYR   3  -9.092   5.402   3.440
   22    HE2  TYR   3           HE2      TYR   3 -10.102   4.986  -0.684
   23    HH   TYR   3           HH       TYR   3  -9.693   7.103   2.133
   24   1HB   HIS   4          2HB       HIS   4  -4.577  -2.066  -1.017
   25   2HB   HIS   4          1HB       HIS   4  -6.099  -2.583  -0.307
   26    H    HIS   4           H        HIS   4  -7.696  -1.054   0.325
   27    HA   HIS   4           HA       HIS   4  -5.176   0.058  -0.673
   28    HD1  HIS   4           HD1      HIS   4  -8.085  -3.036  -2.017
   29    HD2  HIS   4           HD2      HIS   4  -4.330  -2.507  -3.719
   30    HE1  HIS   4           HE1      HIS   4  -8.282  -3.911  -4.366
   31    HE2  HIS   4           HE2      HIS   4  -6.013  -3.532  -5.394
   32   1HB   ARG   5          2HB       ARG   5  -6.337   3.389  -3.256
   33   2HB   ARG   5          1HB       ARG   5  -7.163   3.330  -4.806
   34   1HG   ARG   5          2HG       ARG   5  -8.324   2.009  -2.382
   35   2HG   ARG   5          1HG       ARG   5  -8.555   3.730  -2.695
   36   1HD   ARG   5          2HD       ARG   5  -9.214   2.761  -5.100
   37   2HD   ARG   5          1HD       ARG   5  -9.656   1.374  -4.106
   38   1HH1  ARG   5          1HH1      ARG   5 -11.088   0.623  -3.785
   39   2HH1  ARG   5          2HH1      ARG   5 -12.759   0.649  -3.333
   40   1HH2  ARG   5          1HH2      ARG   5 -12.938   4.131  -3.083
   41   2HH2  ARG   5          2HH2      ARG   5 -13.811   2.643  -2.935
   42    H    ARG   5           H        ARG   5  -5.032   1.066  -2.581
   43    HA   ARG   5           HA       ARG   5  -7.182   0.794  -4.537
   44    HE   ARG   5           HE       ARG   5 -10.735   4.086  -3.679
   45   1HB   GLU   6          2HB       GLU   6  -4.304   0.956  -9.413
   46   2HB   GLU   6          1HB       GLU   6  -5.433   0.048  -8.419
   47   1HG   GLU   6          2HG       GLU   6  -5.991   2.649  -9.825
   48   2HG   GLU   6          1HG       GLU   6  -6.564   1.052 -10.305
   49    H    GLU   6           H        GLU   6  -6.615   1.713  -6.645
   50    HA   GLU   6           HA       GLU   6  -3.749   1.406  -7.140
   51    H    ALA   7           H        ALA   7  -3.410   2.737  -9.475
   52    HA   ALA   7           HA       ALA   7  -3.003   5.398  -8.618
   53   1HB   ALA   7          2HB       ALA   7  -2.240   5.814 -10.908
   54   2HB   ALA   7          1HB       ALA   7  -1.548   4.330 -10.249
   55   3HB   ALA   7          3HB       ALA   7  -2.880   4.247 -11.401
   56   1HB   ARG   8          2HB       ARG   8  -6.057   9.058 -12.419
   57   2HB   ARG   8          1HB       ARG   8  -4.664   9.350 -11.387
   58   1HG   ARG   8          2HG       ARG   8  -3.292   7.936 -12.634
   59   2HG   ARG   8          1HG       ARG   8  -4.663   7.144 -13.413
   60   1HD   ARG   8          2HD       ARG   8  -3.841   8.530 -15.083
   61   2HD   ARG   8          1HD       ARG   8  -5.165   9.472 -14.398
   62   1HH1  ARG   8          1HH1      ARG   8  -3.492   9.863 -16.407
   63   2HH1  ARG   8          2HH1      ARG   8  -2.411  11.139 -16.857
   64   1HH2  ARG   8          1HH2      ARG   8  -1.657  12.054 -13.569
   65   2HH2  ARG   8          2HH2      ARG   8  -1.367  12.384 -15.245
   66    H    ARG   8           H        ARG   8  -3.641   7.031 -10.696
   67    HA   ARG   8           HA       ARG   8  -6.135   7.979 -10.131
   68    HE   ARG   8           HE       ARG   8  -3.083  10.371 -12.987
   69   1HB   SER   9          2HB       SER   9  -6.993   6.246 -14.685
   70   2HB   SER   9          1HB       SER   9  -7.514   4.666 -15.269
   71    H    SER   9           H        SER   9  -5.284   5.536 -12.532
   72    HA   SER   9           HA       SER   9  -8.010   4.577 -12.531
   73    HG   SER   9           HG       SER   9  -9.369   5.415 -13.609
   74   1HA   GLY  10          2HA       GLY  10  -3.595   2.350 -14.187
   75   2HA   GLY  10          1HA       GLY  10  -5.077   1.428 -13.986
   76    H    GLY  10           H        GLY  10  -4.675   4.178 -12.989
   77   1HB   LYS  11          2HB       LYS  11  -4.817  -1.470 -11.047
   78   2HB   LYS  11          1HB       LYS  11  -3.474  -2.457 -11.604
   79   1HG   LYS  11          2HG       LYS  11  -3.139  -3.228  -9.558
   80   2HG   LYS  11          1HG       LYS  11  -2.953  -1.587  -8.934
   81   1HD   LYS  11          2HD       LYS  11  -4.790  -2.097  -7.737
   82   2HD   LYS  11          1HD       LYS  11  -5.638  -1.706  -9.235
   83   1HE   LYS  11          2HE       LYS  11  -5.248  -4.204  -9.811
   84   2HE   LYS  11          1HE       LYS  11  -4.978  -4.385  -8.078
   85    H    LYS  11           H        LYS  11  -3.591  -0.209 -13.162
   86    HA   LYS  11           HA       LYS  11  -3.028   0.217 -10.305
   87   1HZ   LYS  11          3HZ       LYS  11  -7.368  -2.927  -8.872
   88   2HZ   LYS  11          2HZ       LYS  11  -7.366  -4.589  -9.189
   89   3HZ   LYS  11          1HZ       LYS  11  -7.141  -4.030  -7.608
   90   1HB   TYR  12          2HB       TYR  12  -0.092  -3.091 -11.207
   91   2HB   TYR  12          1HB       TYR  12   1.638  -2.858 -11.424
   92    H    TYR  12           H        TYR  12  -1.160  -0.770  -9.407
   93    HA   TYR  12           HA       TYR  12   1.097  -1.122  -9.374
   94    HD1  TYR  12           HD1      TYR  12   0.240  -2.353  -8.104
   95    HD2  TYR  12           HD2      TYR  12   1.988  -5.193 -10.742
   96    HE1  TYR  12           HE1      TYR  12   0.678  -3.844  -6.197
   97    HE2  TYR  12           HE2      TYR  12   2.431  -6.694  -8.845
   98    HH   TYR  12           HH       TYR  12   2.008  -5.672  -5.559
   99   1HB   LYS  13          2HB       LYS  13   1.908   2.549 -14.029
  100   2HB   LYS  13          1HB       LYS  13   1.534   0.841 -13.846
  101   1HG   LYS  13          2HG       LYS  13  -0.606   1.252 -13.087
  102   2HG   LYS  13          1HG       LYS  13  -0.216   2.894 -12.567
  103   1HD   LYS  13          2HD       LYS  13   0.254   2.724 -15.362
  104   2HD   LYS  13          1HD       LYS  13  -1.337   2.032 -15.033
  105   1HE   LYS  13          2HE       LYS  13  -2.024   4.171 -15.125
  106   2HE   LYS  13          1HE       LYS  13  -1.413   4.242 -13.472
  107    H    LYS  13           H        LYS  13   0.989   1.249 -10.326
  108    HA   LYS  13           HA       LYS  13   3.127   1.458 -12.156
  109   1HZ   LYS  13          1HZ       LYS  13   0.642   4.707 -15.402
  110   2HZ   LYS  13          3HZ       LYS  13  -0.623   5.821 -15.553
  111   3HZ   LYS  13          2HZ       LYS  13   0.180   5.648 -14.075
  112   1HB   LEU  14          2HB       LEU  14   0.584   5.866  -8.294
  113   2HB   LEU  14          1HB       LEU  14  -0.311   4.835  -9.383
  114    H    LEU  14           H        LEU  14   1.508   2.615  -9.678
  115    HA   LEU  14           HA       LEU  14   1.807   5.444 -10.360
  116    HG   LEU  14           HG       LEU  14   1.052   3.057  -7.749
  117   1HD1  LEU  14          3HD1      LEU  14   0.611   5.591  -6.365
  118   2HD1  LEU  14          2HD1      LEU  14  -0.081   4.192  -5.543
  119   3HD1  LEU  14          1HD1      LEU  14   1.638   4.223  -5.935
  120   1HD2  LEU  14          3HD2      LEU  14  -1.517   3.543  -8.582
  121   2HD2  LEU  14          2HD2      LEU  14  -1.011   2.233  -7.516
  122   3HD2  LEU  14          1HD2      LEU  14  -1.630   3.736  -6.834
  123    H    THR  15           H        THR  15   2.637   6.830  -8.481
  124    HA   THR  15           HA       THR  15   5.038   5.531  -7.358
  125    HB   THR  15           HB       THR  15   6.231   7.601  -7.551
  126    HG1  THR  15           HG1      THR  15   5.124   9.450  -8.492
  127   1HG2  THR  15          1HG2      THR  15   4.686   6.980 -10.070
  128   2HG2  THR  15          3HG2      THR  15   6.111   8.018 -10.010
  129   3HG2  THR  15          2HG2      THR  15   6.245   6.313  -9.582
  130   1HB   TYR  16          2HB       TYR  16   6.570   7.620  -3.290
  131   2HB   TYR  16          1HB       TYR  16   6.487   9.256  -3.936
  132    H    TYR  16           H        TYR  16   5.764   7.865  -5.845
  133    HA   TYR  16           HA       TYR  16   4.135   7.396  -3.512
  134    HD1  TYR  16           HD1      TYR  16   5.134   7.183  -1.144
  135    HD2  TYR  16           HD2      TYR  16   6.346  11.041  -2.464
  136    HE1  TYR  16           HE1      TYR  16   4.806   8.056   1.129
  137    HE2  TYR  16           HE2      TYR  16   6.024  11.926  -0.193
  138    HH   TYR  16           HH       TYR  16   4.958  11.461   1.832
  139    H    ALA  17           H        ALA  17   5.110  10.308  -5.327
  140    HA   ALA  17           HA       ALA  17   3.310  12.058  -4.092
  141   1HB   ALA  17          3HB       ALA  17   5.247  12.750  -5.491
  142   2HB   ALA  17          2HB       ALA  17   4.343  12.249  -6.920
  143   3HB   ALA  17          1HB       ALA  17   3.744  13.571  -5.917
  144   1HB   GLU  18          2HB       GLU  18   1.995   8.210  -7.957
  145   2HB   GLU  18          1HB       GLU  18   0.350   8.295  -8.540
  146   1HG   GLU  18          2HG       GLU  18   0.905   9.664 -10.239
  147   2HG   GLU  18          1HG       GLU  18   2.192  10.455  -9.338
  148    H    GLU  18           H        GLU  18   2.948   9.806  -6.731
  149    HA   GLU  18           HA       GLU  18   0.437  10.751  -7.669
  150    H    ALA  19           H        ALA  19   1.266   7.803  -5.929
  151    HA   ALA  19           HA       ALA  19  -1.136   6.838  -5.181
  152   1HB   ALA  19          3HB       ALA  19   0.297   5.449  -4.198
  153   2HB   ALA  19          1HB       ALA  19   0.357   6.580  -2.847
  154   3HB   ALA  19          2HB       ALA  19   1.549   6.690  -4.142
  155   1HB   LYS  20          2HB       LYS  20   1.164  10.791  -1.795
  156   2HB   LYS  20          1HB       LYS  20   0.364  12.067  -2.698
  157   1HG   LYS  20          2HG       LYS  20  -0.959  12.638  -0.722
  158   2HG   LYS  20          1HG       LYS  20  -0.148  11.358   0.184
  159   1HD   LYS  20          2HD       LYS  20   1.881  12.924  -0.979
  160   2HD   LYS  20          1HD       LYS  20   0.703  14.051  -0.303
  161   1HE   LYS  20          2HE       LYS  20   1.840  11.719   1.227
  162   2HE   LYS  20          1HE       LYS  20   2.542  13.336   1.260
  163    H    LYS  20           H        LYS  20   0.580   9.474  -3.561
  164    HA   LYS  20           HA       LYS  20  -1.199   9.834  -1.440
  165   1HZ   LYS  20          3HZ       LYS  20   0.023  13.910   1.838
  166   2HZ   LYS  20          2HZ       LYS  20   0.095  12.351   2.486
  167   3HZ   LYS  20          1HZ       LYS  20   1.174  13.538   3.022
  168    H    ALA  21           H        ALA  21  -0.945  11.531  -4.544
  169    HA   ALA  21           HA       ALA  21  -3.105  13.269  -4.200
  170   1HB   ALA  21          1HB       ALA  21  -3.158  13.013  -6.840
  171   2HB   ALA  21          2HB       ALA  21  -1.615  12.214  -6.542
  172   3HB   ALA  21          3HB       ALA  21  -1.863  13.878  -6.013
  173    H    VAL  22           H        VAL  22  -2.982   9.982  -5.486
  174    HA   VAL  22           HA       VAL  22  -5.608   9.756  -6.386
  175    HB   VAL  22           HB       VAL  22  -3.484   7.874  -5.562
  176   1HG1  VAL  22          2HG1      VAL  22  -5.369   7.016  -4.285
  177   2HG1  VAL  22          1HG1      VAL  22  -6.362   7.001  -5.744
  178   3HG1  VAL  22          3HG1      VAL  22  -4.963   5.934  -5.618
  179   1HG2  VAL  22          3HG2      VAL  22  -3.757   8.618  -7.871
  180   2HG2  VAL  22          2HG2      VAL  22  -3.999   6.876  -7.724
  181   3HG2  VAL  22          1HG2      VAL  22  -5.389   7.948  -7.897
  182   1HB   CYS  23          2HB       CYS  23  -3.886   9.246  -1.119
  183   2HB   CYS  23          1HB       CYS  23  -5.135   9.576   0.076
  184    H    CYS  23           H        CYS  23  -4.220   9.338  -3.181
  185    HA   CYS  23           HA       CYS  23  -6.547   8.320  -1.927
  186   1HB   GLU  24          2HB       GLU  24  -5.122  13.891  -2.412
  187   2HB   GLU  24          1HB       GLU  24  -6.187  14.930  -1.477
  188   1HG   GLU  24          2HG       GLU  24  -5.126  14.376   0.546
  189   2HG   GLU  24          1HG       GLU  24  -4.283  13.009  -0.182
  190    H    GLU  24           H        GLU  24  -5.056  11.550  -1.814
  191    HA   GLU  24           HA       GLU  24  -7.059  12.826  -0.364
  192   1HB   PHE  25          2HB       PHE  25  -7.410  13.072  -6.002
  193   2HB   PHE  25          1HB       PHE  25  -7.890  11.378  -6.014
  194    H    PHE  25           H        PHE  25  -7.035  11.800  -3.650
  195    HA   PHE  25           HA       PHE  25  -9.252  13.537  -4.391
  196    HD1  PHE  25           HD1      PHE  25  -9.034  14.798  -6.835
  197    HD2  PHE  25           HD2      PHE  25  -9.634  10.621  -7.384
  198    HE1  PHE  25           HE1      PHE  25 -10.646  15.270  -8.632
  199    HE2  PHE  25           HE2      PHE  25 -11.247  11.085  -9.183
  200    HZ   PHE  25           HZ       PHE  25 -11.756  13.412  -9.810
  201   1HB   GLU  26          2HB       GLU  26  -8.859   8.034  -3.181
  202   2HB   GLU  26          1HB       GLU  26 -10.414   7.245  -2.971
  203   1HG   GLU  26          2HG       GLU  26 -10.698   7.852  -5.512
  204   2HG   GLU  26          1HG       GLU  26  -8.936   7.892  -5.464
  205    H    GLU  26           H        GLU  26  -8.651  10.281  -3.371
  206    HA   GLU  26           HA       GLU  26 -11.343   9.423  -4.104
  207   1HA   GLY  27          1HA       GLY  27 -12.215  10.383   0.143
  208   2HA   GLY  27          2HA       GLY  27 -11.149  11.770   0.309
  209    H    GLY  27           H        GLY  27 -10.067  11.133  -1.661
  210   1HA   GLY  28          2HA       GLY  28  -8.328   8.664   2.119
  211   2HA   GLY  28          1HA       GLY  28  -8.535  10.014   3.231
  212    H    GLY  28           H        GLY  28  -8.802  11.143   0.753
  213   1HB   HIS  29          2HB       HIS  29  -3.379  10.242   4.362
  214   2HB   HIS  29          1HB       HIS  29  -3.475  11.552   3.189
  215    H    HIS  29           H        HIS  29  -6.173   8.743   3.304
  216    HA   HIS  29           HA       HIS  29  -4.292  10.189   1.605
  217    HD1  HIS  29           HD1      HIS  29  -5.728   9.717   5.633
  218    HD2  HIS  29           HD2      HIS  29  -5.400  13.395   3.726
  219    HE1  HIS  29           HE1      HIS  29  -7.540  11.152   6.623
  220    HE2  HIS  29           HE2      HIS  29  -7.262  13.400   5.521
  221   1HB   LEU  30          2HB       LEU  30   0.163   8.777   2.112
  222   2HB   LEU  30          1HB       LEU  30   0.636   7.092   2.164
  223    H    LEU  30           H        LEU  30  -2.011   9.425   1.999
  224    HA   LEU  30           HA       LEU  30  -1.896   6.623   1.792
  225    HG   LEU  30           HG       LEU  30  -0.630   8.559  -0.147
  226   1HD1  LEU  30          3HD1      LEU  30   2.000   8.359   0.594
  227   2HD1  LEU  30          2HD1      LEU  30   1.821   7.033  -0.554
  228   3HD1  LEU  30          1HD1      LEU  30   1.414   8.679  -1.038
  229   1HD2  LEU  30          3HD2      LEU  30  -0.422   5.664   0.443
  230   2HD2  LEU  30          2HD2      LEU  30  -1.629   6.550  -0.490
  231   3HD2  LEU  30          1HD2      LEU  30  -0.057   6.186  -1.202
  232    H    ALA  31           H        ALA  31  -2.070   5.159   3.349
  233    HA   ALA  31           HA       ALA  31  -2.079   5.786   6.098
  234   1HB   ALA  31          3HB       ALA  31  -2.222   3.300   4.498
  235   2HB   ALA  31          2HB       ALA  31  -1.780   3.151   6.200
  236   3HB   ALA  31          1HB       ALA  31  -3.307   3.911   5.746
  237    H    THR  32           H        THR  32  -0.675   3.776   7.327
  238    HA   THR  32           HA       THR  32   2.138   4.312   6.663
  239    HB   THR  32           HB       THR  32   2.670   5.162   8.677
  240    HG1  THR  32           HG1      THR  32   0.642   3.569   9.894
  241   1HG2  THR  32          2HG2      THR  32   0.279   6.146   7.856
  242   2HG2  THR  32          1HG2      THR  32  -0.117   5.629   9.495
  243   3HG2  THR  32          3HG2      THR  32   1.194   6.777   9.226
  244   1HB   TYR  33          2HB       TYR  33   5.321   1.294   7.825
  245   2HB   TYR  33          1HB       TYR  33   4.971   0.964   9.515
  246    H    TYR  33           H        TYR  33   3.623   2.824   7.942
  247    HA   TYR  33           HA       TYR  33   3.055   0.162   7.337
  248    HD1  TYR  33           HD1      TYR  33   5.554  -0.627   6.226
  249    HD2  TYR  33           HD2      TYR  33   5.276  -1.194  10.434
  250    HE1  TYR  33           HE1      TYR  33   6.475  -2.893   5.976
  251    HE2  TYR  33           HE2      TYR  33   6.197  -3.462  10.194
  252    HH   TYR  33           HH       TYR  33   7.111  -4.942   8.799
  253   1HB   LYS  34          2HB       LYS  34   2.729   2.334  12.473
  254   2HB   LYS  34          1HB       LYS  34   1.054   2.106  12.945
  255   1HG   LYS  34          2HG       LYS  34   1.633   0.533  14.606
  256   2HG   LYS  34          1HG       LYS  34   3.279   0.382  13.989
  257   1HD   LYS  34          2HD       LYS  34   3.655   1.783  15.754
  258   2HD   LYS  34          1HD       LYS  34   3.332   2.973  14.492
  259   1HE   LYS  34          2HE       LYS  34   1.169   3.390  15.272
  260   2HE   LYS  34          1HE       LYS  34   1.126   1.901  16.216
  261    H    LYS  34           H        LYS  34   3.082   1.763  10.512
  262    HA   LYS  34           HA       LYS  34   2.269  -0.384  12.065
  263   1HZ   LYS  34          3HZ       LYS  34   3.236   3.316  17.238
  264   2HZ   LYS  34          2HZ       LYS  34   2.047   4.489  16.972
  265   3HZ   LYS  34          1HZ       LYS  34   1.707   3.145  17.941
  266   1HB   GLN  35          2HB       GLN  35  -1.497   2.509   8.692
  267   2HB   GLN  35          1HB       GLN  35  -3.120   2.346   9.343
  268   1HG   GLN  35          2HG       GLN  35  -2.457   3.654  11.306
  269   2HG   GLN  35          1HG       GLN  35  -0.844   3.842  10.619
  270   1HE2  GLN  35          1HE2      GLN  35  -2.856   5.848  11.331
  271   2HE2  GLN  35          2HE2      GLN  35  -3.145   6.759   9.891
  272    H    GLN  35           H        GLN  35   0.268   2.066  10.440
  273    HA   GLN  35           HA       GLN  35  -2.221   1.116  11.277
  274   1HB   LEU  36          2HB       LEU  36   0.865  -0.914   7.164
  275   2HB   LEU  36          1HB       LEU  36   0.623  -2.643   7.024
  276    H    LEU  36           H        LEU  36  -0.108   0.133   8.655
  277    HA   LEU  36           HA       LEU  36  -1.948  -1.501   7.269
  278    HG   LEU  36           HG       LEU  36   0.719  -1.639   4.823
  279   1HD1  LEU  36          1HD1      LEU  36  -1.470  -3.171   5.810
  280   2HD1  LEU  36          3HD1      LEU  36  -2.055  -2.084   4.550
  281   3HD1  LEU  36          2HD1      LEU  36  -0.730  -3.197   4.209
  282   1HD2  LEU  36          1HD2      LEU  36  -0.768   0.439   6.061
  283   2HD2  LEU  36          3HD2      LEU  36  -0.066   0.395   4.444
  284   3HD2  LEU  36          2HD2      LEU  36  -1.709  -0.188   4.709
  285   1HB   GLU  37          2HB       GLU  37   1.509  -3.444  11.530
  286   2HB   GLU  37          1HB       GLU  37   0.178  -2.793  12.470
  287   1HG   GLU  37          2HG       GLU  37  -0.322  -5.283  12.995
  288   2HG   GLU  37          1HG       GLU  37   1.355  -5.530  12.509
  289    H    GLU  37           H        GLU  37   0.086  -2.007  10.062
  290    HA   GLU  37           HA       GLU  37  -0.092  -4.813  10.235
  291    H    ALA  38           H        ALA  38  -1.866  -2.305  12.004
  292    HA   ALA  38           HA       ALA  38  -3.684  -3.904  13.337
  293   1HB   ALA  38          2HB       ALA  38  -3.394  -1.467  13.691
  294   2HB   ALA  38          3HB       ALA  38  -5.084  -1.949  13.543
  295   3HB   ALA  38          1HB       ALA  38  -4.266  -1.177  12.186
  296    H    ALA  39           H        ALA  39  -3.614  -2.882  10.017
  297    HA   ALA  39           HA       ALA  39  -6.288  -3.649   9.362
  298   1HB   ALA  39          2HB       ALA  39  -3.927  -3.330   7.513
  299   2HB   ALA  39          3HB       ALA  39  -4.964  -2.008   8.053
  300   3HB   ALA  39          1HB       ALA  39  -5.634  -3.309   7.066
  301   1HB   ARG  40          2HB       ARG  40  -1.596  -6.695   8.402
  302   2HB   ARG  40          1HB       ARG  40  -1.701  -7.376  10.020
  303   1HG   ARG  40          2HG       ARG  40  -2.402  -9.542   8.696
  304   2HG   ARG  40          1HG       ARG  40  -1.525  -8.746   7.389
  305   1HD   ARG  40          2HD       ARG  40   0.481  -9.026   8.384
  306   2HD   ARG  40          1HD       ARG  40  -0.168  -8.764  10.002
  307   1HH1  ARG  40          2HH1      ARG  40   1.995  -9.765   9.668
  308   2HH1  ARG  40          1HH1      ARG  40   2.764 -11.258  10.089
  309   1HH2  ARG  40          1HH2      ARG  40  -0.135 -13.183   9.749
  310   2HH2  ARG  40          2HH2      ARG  40   1.554 -13.201  10.134
  311    H    ARG  40           H        ARG  40  -3.199  -5.226   9.519
  312    HA   ARG  40           HA       ARG  40  -3.971  -7.561   8.042
  313    HE   ARG  40           HE       ARG  40  -1.139 -11.210   9.197
  314   1HB   LYS  41          2HB       LYS  41  -5.618  -6.477  13.467
  315   2HB   LYS  41          1HB       LYS  41  -5.210  -7.820  14.525
  316   1HG   LYS  41          2HG       LYS  41  -2.767  -7.234  13.599
  317   2HG   LYS  41          1HG       LYS  41  -3.518  -5.641  13.488
  318   1HD   LYS  41          2HD       LYS  41  -4.341  -6.335  15.938
  319   2HD   LYS  41          1HD       LYS  41  -2.843  -7.265  15.869
  320   1HE   LYS  41          2HE       LYS  41  -1.527  -5.359  15.614
  321   2HE   LYS  41          1HE       LYS  41  -2.894  -4.369  15.102
  322    H    LYS  41           H        LYS  41  -3.877  -6.623  11.428
  323    HA   LYS  41           HA       LYS  41  -4.227  -9.041  12.688
  324   1HZ   LYS  41          1HZ       LYS  41  -2.953  -5.514  17.796
  325   2HZ   LYS  41          3HZ       LYS  41  -1.921  -4.203  17.515
  326   3HZ   LYS  41          2HZ       LYS  41  -3.581  -4.049  17.233
  327   1HG1  ILE  42          1HG1      ILE  42  -8.170  -5.579   9.365
  328   2HG1  ILE  42          2HG1      ILE  42  -8.047  -7.212   8.718
  329    H    ILE  42           H        ILE  42  -6.581  -7.117  10.939
  330    HA   ILE  42           HA       ILE  42  -8.796  -8.791  11.759
  331    HB   ILE  42           HB       ILE  42 -10.198  -7.369  10.461
  332   1HG2  ILE  42          3HG2      ILE  42  -9.295  -6.455  12.584
  333   2HG2  ILE  42          2HG2      ILE  42  -8.055  -5.617  11.651
  334   3HG2  ILE  42          1HG2      ILE  42  -9.758  -5.212  11.421
  335   1HD1  ILE  42          3HD1      ILE  42 -10.784  -6.351   8.750
  336   2HD1  ILE  42          2HD1      ILE  42  -9.769  -5.191   7.894
  337   3HD1  ILE  42          1HD1      ILE  42  -9.785  -6.883   7.397
  338   1HA   GLY  43          1HA       GLY  43  -8.069 -10.641   7.679
  339   2HA   GLY  43          2HA       GLY  43  -6.317 -10.581   7.810
  340    H    GLY  43           H        GLY  43  -6.671  -8.400   9.001
  341   1HB   PHE  44          2HB       PHE  44  -6.189  -5.627   6.410
  342   2HB   PHE  44          1HB       PHE  44  -4.589  -6.019   5.792
  343    H    PHE  44           H        PHE  44  -5.763  -7.981   7.173
  344    HA   PHE  44           HA       PHE  44  -7.089  -7.298   4.692
  345    HD1  PHE  44           HD1      PHE  44  -7.333  -6.060   3.438
  346    HD2  PHE  44           HD2      PHE  44  -4.339  -3.632   5.233
  347    HE1  PHE  44           HE1      PHE  44  -7.618  -4.395   1.649
  348    HE2  PHE  44           HE2      PHE  44  -4.617  -1.961   3.448
  349    HZ   PHE  44           HZ       PHE  44  -6.260  -2.340   1.654
  350   1HB   HIS  45          2HB       HIS  45  -5.110 -11.603   3.227
  351   2HB   HIS  45          1HB       HIS  45  -6.311 -11.120   2.037
  352    H    HIS  45           H        HIS  45  -6.601  -9.154   3.432
  353    HA   HIS  45           HA       HIS  45  -3.793  -9.626   2.784
  354    HD1  HIS  45           HD1      HIS  45  -6.076 -13.083   0.474
  355    HD2  HIS  45           HD2      HIS  45  -2.453 -11.203   1.254
  356    HE1  HIS  45           HE1      HIS  45  -4.427 -14.108  -1.122
  357    HE2  HIS  45           HE2      HIS  45  -2.269 -12.879  -0.705
  358    H    VAL  46           H        VAL  46  -2.894  -8.576   1.162
  359    HA   VAL  46           HA       VAL  46  -4.195  -8.345  -1.388
  360    HB   VAL  46           HB       VAL  46  -5.165  -6.358  -0.922
  361   1HG1  VAL  46          3HG1      VAL  46  -3.586  -6.559   1.459
  362   2HG1  VAL  46          2HG1      VAL  46  -3.557  -4.900   0.862
  363   3HG1  VAL  46          1HG1      VAL  46  -5.099  -5.690   1.193
  364   1HG2  VAL  46          3HG2      VAL  46  -3.414  -5.802  -2.536
  365   2HG2  VAL  46          2HG2      VAL  46  -3.772  -4.436  -1.478
  366   3HG2  VAL  46          1HG2      VAL  46  -2.320  -5.401  -1.212
  367   1HB   CYS  47          2HB       CYS  47  -0.259  -9.263  -4.852
  368   2HB   CYS  47          1HB       CYS  47   0.361 -10.257  -3.538
  369    H    CYS  47           H        CYS  47  -2.657  -8.797  -2.806
  370    HA   CYS  47           HA       CYS  47   0.127  -8.574  -2.091
  371    H    ALA  48           H        ALA  48  -1.946  -6.311  -3.055
  372    HA   ALA  48           HA       ALA  48  -0.269  -5.057  -5.080
  373   1HB   ALA  48          2HB       ALA  48  -2.932  -5.114  -4.868
  374   2HB   ALA  48          3HB       ALA  48  -2.063  -3.792  -5.649
  375   3HB   ALA  48          1HB       ALA  48  -2.614  -3.623  -3.981
  376    H    ALA  49           H        ALA  49   1.578  -4.585  -3.850
  377    HA   ALA  49           HA       ALA  49   1.859  -3.464  -1.409
  378   1HB   ALA  49          2HB       ALA  49   3.981  -3.363  -2.041
  379   2HB   ALA  49          1HB       ALA  49   3.477  -3.722  -3.693
  380   3HB   ALA  49          3HB       ALA  49   3.621  -2.047  -3.159
  381   1HA   GLY  50          2HA       GLY  50  -0.139   0.268  -0.427
  382   2HA   GLY  50          1HA       GLY  50   0.363   0.611  -2.075
  383    H    GLY  50           H        GLY  50   1.528  -1.540  -0.418
  384   1HB   TRP  51          2HB       TRP  51   1.888   4.729  -2.324
  385   2HB   TRP  51          1HB       TRP  51   3.316   5.410  -1.551
  386    H    TRP  51           H        TRP  51   1.351   2.509  -2.118
  387    HA   TRP  51           HA       TRP  51   3.810   2.962  -0.832
  388    HD1  TRP  51           HD1      TRP  51   2.232   3.334  -4.534
  389    HE1  TRP  51           HE1      TRP  51   4.258   2.978  -6.095
  390    HE3  TRP  51           HE3      TRP  51   5.916   5.198  -1.518
  391    HZ2  TRP  51           HZ2      TRP  51   7.043   3.435  -6.046
  392    HZ3  TRP  51           HZ3      TRP  51   8.231   5.204  -2.351
  393    HH2  TRP  51           HH2      TRP  51   8.781   4.340  -4.567
  394   1HB   MET  52          2HB       MET  52   3.338   4.282   4.620
  395   2HB   MET  52          1HB       MET  52   2.425   3.191   3.587
  396   1HG   MET  52          2HG       MET  52   4.441   2.322   2.625
  397   2HG   MET  52          1HG       MET  52   5.413   3.513   3.488
  398    H    MET  52           H        MET  52   4.384   4.112   0.966
  399    HA   MET  52           HA       MET  52   2.257   5.325   2.576
  400   1HE   MET  52          2HE       MET  52   4.398   0.345   3.034
  401   2HE   MET  52          1HE       MET  52   5.564  -0.320   4.180
  402   3HE   MET  52          3HE       MET  52   3.836  -0.424   4.519
  403    H    ALA  53           H        ALA  53   3.498   6.258   4.686
  404    HA   ALA  53           HA       ALA  53   4.858   8.500   3.906
  405   1HB   ALA  53          3HB       ALA  53   5.917   7.881   6.425
  406   2HB   ALA  53          1HB       ALA  53   4.300   7.179   6.393
  407   3HB   ALA  53          2HB       ALA  53   4.522   8.898   6.063
  408   1HB   LYS  54          2HB       LYS  54   8.670   6.679   5.311
  409   2HB   LYS  54          1HB       LYS  54  10.008   6.340   4.223
  410   1HG   LYS  54          2HG       LYS  54  11.240   7.234   5.865
  411   2HG   LYS  54          1HG       LYS  54  10.739   8.766   5.150
  412   1HD   LYS  54          2HD       LYS  54   9.090   9.119   6.775
  413   2HD   LYS  54          1HD       LYS  54   9.105   7.428   7.282
  414   1HE   LYS  54          2HE       LYS  54  11.292   7.694   8.262
  415   2HE   LYS  54          1HE       LYS  54  11.402   9.345   7.650
  416    H    LYS  54           H        LYS  54   7.065   9.158   4.015
  417    HA   LYS  54           HA       LYS  54   9.303   8.974   3.644
  418   1HZ   LYS  54          2HZ       LYS  54   9.421   8.382   9.641
  419   2HZ   LYS  54          1HZ       LYS  54  10.804   9.289   9.993
  420   3HZ   LYS  54          3HZ       LYS  54   9.559   9.966   9.068
  421   1HA   GLY  55          1HA       GLY  55   8.615   7.013  -0.291
  422   2HA   GLY  55          2HA       GLY  55   6.908   6.632  -0.164
  423    H    GLY  55           H        GLY  55   6.988   7.330   2.021
  424   1HB   ARG  56          2HB       ARG  56   8.605   3.329   3.552
  425   2HB   ARG  56          1HB       ARG  56   7.025   2.565   3.458
  426   1HG   ARG  56          2HG       ARG  56   8.206   0.483   2.671
  427   2HG   ARG  56          1HG       ARG  56   9.719   1.283   3.101
  428   1HD   ARG  56          2HD       ARG  56   7.448   0.978   5.046
  429   2HD   ARG  56          1HD       ARG  56   8.690  -0.258   4.846
  430   1HH1  ARG  56          2HH1      ARG  56   7.003   1.568   6.549
  431   2HH1  ARG  56          1HH1      ARG  56   7.341   2.497   7.971
  432   1HH2  ARG  56          1HH2      ARG  56  10.757   2.819   7.300
  433   2HH2  ARG  56          2HH2      ARG  56   9.476   3.209   8.398
  434    H    ARG  56           H        ARG  56   7.153   4.829   2.050
  435    HA   ARG  56           HA       ARG  56   8.881   2.689   1.087
  436    HE   ARG  56           HE       ARG  56  10.300   1.593   5.431
  437    H    VAL  57           H        VAL  57   8.100   0.620   0.509
  438    HA   VAL  57           HA       VAL  57   5.222   0.508  -0.102
  439    HB   VAL  57           HB       VAL  57   5.516   0.019  -2.277
  440   1HG1  VAL  57          3HG1      VAL  57   8.103   1.336  -1.524
  441   2HG1  VAL  57          2HG1      VAL  57   7.724   0.943  -3.201
  442   3HG1  VAL  57          1HG1      VAL  57   6.682   2.040  -2.297
  443   1HG2  VAL  57          1HG2      VAL  57   7.935  -1.533  -1.408
  444   2HG2  VAL  57          3HG2      VAL  57   6.416  -2.137  -2.072
  445   3HG2  VAL  57          2HG2      VAL  57   7.553  -1.275  -3.110
  446   1HA   GLY  58          2HA       GLY  58   5.108  -3.300   1.917
  447   2HA   GLY  58          1HA       GLY  58   5.622  -3.950   0.368
  448    H    GLY  58           H        GLY  58   4.247  -1.515  -0.045
  449   1HB   TYR  59          2HB       TYR  59   1.199  -7.104  -0.904
  450   2HB   TYR  59          1HB       TYR  59   1.630  -5.497  -1.485
  451    H    TYR  59           H        TYR  59   4.167  -5.727   1.007
  452    HA   TYR  59           HA       TYR  59   1.325  -5.111   0.781
  453    HD1  TYR  59           HD1      TYR  59   4.100  -4.967  -1.841
  454    HD2  TYR  59           HD2      TYR  59   2.652  -8.926  -1.215
  455    HE1  TYR  59           HE1      TYR  59   6.168  -5.875  -2.809
  456    HE2  TYR  59           HE2      TYR  59   4.720  -9.838  -2.181
  457    HH   TYR  59           HH       TYR  59   7.438  -8.350  -2.455
  458   1HB   PRO  60          2HB       PRO  60  -0.772  -7.830   5.028
  459   2HB   PRO  60          1HB       PRO  60   0.627  -6.825   5.413
  460   1HG   PRO  60          2HG       PRO  60  -1.615  -6.311   3.512
  461   2HG   PRO  60          1HG       PRO  60  -0.795  -5.187   4.609
  462   1HD   PRO  60          1HD       PRO  60  -0.277  -5.322   1.936
  463   2HD   PRO  60          2HD       PRO  60   0.922  -4.809   3.138
  464    HA   PRO  60           HA       PRO  60   1.699  -8.266   3.986
  465   1HG1  ILE  61          2HG1      ILE  61   2.428 -10.529   1.076
  466   2HG1  ILE  61          1HG1      ILE  61   2.277 -11.476  -0.401
  467    H    ILE  61           H        ILE  61   1.600 -10.211   2.973
  468    HA   ILE  61           HA       ILE  61  -0.904 -11.010   1.680
  469    HB   ILE  61           HB       ILE  61   1.563 -12.701   1.661
  470   1HG2  ILE  61          3HG2      ILE  61  -0.965 -12.847   0.491
  471   2HG2  ILE  61          2HG2      ILE  61   0.130 -12.396  -0.818
  472   3HG2  ILE  61          1HG2      ILE  61   0.438 -13.853   0.128
  473   1HD1  ILE  61          1HD1      ILE  61  -0.147 -10.076  -0.049
  474   2HD1  ILE  61          3HD1      ILE  61   1.174  -8.936   0.205
  475   3HD1  ILE  61          2HD1      ILE  61   1.079  -9.857  -1.297
  476    H    VAL  62           H        VAL  62  -2.323 -12.039   2.902
  477    HA   VAL  62           HA       VAL  62  -1.415 -13.591   5.206
  478    HB   VAL  62           HB       VAL  62  -4.224 -12.834   4.392
  479   1HG1  VAL  62          2HG1      VAL  62  -3.202 -14.674   6.348
  480   2HG1  VAL  62          1HG1      VAL  62  -4.075 -13.362   7.137
  481   3HG1  VAL  62          3HG1      VAL  62  -4.872 -14.332   5.899
  482   1HG2  VAL  62          3HG2      VAL  62  -2.128 -11.388   5.816
  483   2HG2  VAL  62          2HG2      VAL  62  -3.620 -10.796   5.085
  484   3HG2  VAL  62          1HG2      VAL  62  -3.647 -11.487   6.707
  485   1HB   LYS  63          2HB       LYS  63  -5.233 -15.311   1.937
  486   2HB   LYS  63          1HB       LYS  63  -4.631 -15.628   0.316
  487   1HG   LYS  63          2HG       LYS  63  -6.062 -17.369   0.496
  488   2HG   LYS  63          1HG       LYS  63  -4.644 -18.126   1.223
  489   1HD   LYS  63          2HD       LYS  63  -5.500 -18.017   3.345
  490   2HD   LYS  63          1HD       LYS  63  -6.485 -16.599   2.990
  491   1HE   LYS  63          2HE       LYS  63  -7.248 -18.969   1.465
  492   2HE   LYS  63          1HE       LYS  63  -7.406 -19.171   3.209
  493    H    LYS  63           H        LYS  63  -2.993 -13.969   2.101
  494    HA   LYS  63           HA       LYS  63  -3.162 -16.871   2.583
  495   1HZ   LYS  63          2HZ       LYS  63  -8.452 -16.698   2.085
  496   2HZ   LYS  63          1HZ       LYS  63  -9.302 -18.111   1.711
  497   3HZ   LYS  63          3HZ       LYS  63  -9.065 -17.667   3.327
  498   1HB   PRO  64          2HB       PRO  64   1.770 -18.258   0.412
  499   2HB   PRO  64          1HB       PRO  64   1.802 -16.602   1.024
  500   1HG   PRO  64          2HG       PRO  64   0.464 -19.019   2.161
  501   2HG   PRO  64          1HG       PRO  64   1.350 -17.732   2.995
  502   1HD   PRO  64          1HD       PRO  64  -1.369 -17.850   2.897
  503   2HD   PRO  64          2HD       PRO  64  -0.466 -16.326   3.015
  504    HA   PRO  64           HA       PRO  64   0.178 -16.288  -0.563
  505   1HA   GLY  65          2HA       GLY  65  -1.409 -19.468  -3.060
  506   2HA   GLY  65          1HA       GLY  65   0.142 -20.215  -2.710
  507    H    GLY  65           H        GLY  65   0.443 -17.448  -2.418
  508   1HB   PRO  66          2HB       PRO  66  -1.513 -16.210  -7.189
  509   2HB   PRO  66          1HB       PRO  66  -1.852 -17.648  -8.155
  510   1HG   PRO  66          2HG       PRO  66  -3.464 -16.890  -6.148
  511   2HG   PRO  66          1HG       PRO  66  -3.175 -18.600  -6.519
  512   1HD   PRO  66          1HD       PRO  66  -2.001 -16.907  -4.347
  513   2HD   PRO  66          2HD       PRO  66  -2.564 -18.590  -4.284
  514    HA   PRO  66           HA       PRO  66  -0.133 -18.815  -7.217
  515   1HB   ASN  67          2HB       ASN  67   0.987 -14.913  -9.853
  516   2HB   ASN  67          1HB       ASN  67   1.171 -13.421  -8.934
  517   1HD2  ASN  67          1HD2      ASN  67   2.239 -15.007 -11.554
  518   2HD2  ASN  67          2HD2      ASN  67   3.819 -14.325 -11.704
  519    H    ASN  67           H        ASN  67   0.120 -16.215  -8.412
  520    HA   ASN  67           HA       ASN  67   2.816 -15.707  -8.030
  521   1HB   CYS  68          2HB       CYS  68  -0.950 -14.245  -4.134
  522   2HB   CYS  68          1HB       CYS  68  -0.434 -12.878  -3.153
  523    H    CYS  68           H        CYS  68   0.282 -14.962  -5.975
  524    HA   CYS  68           HA       CYS  68   1.404 -12.523  -4.895
  525   1HA   GLY  69          2HA       GLY  69   2.279 -17.166  -2.414
  526   2HA   GLY  69          1HA       GLY  69   2.296 -15.703  -1.438
  527    H    GLY  69           H        GLY  69   1.228 -15.939  -4.049
  528   1HB   PHE  70          2HB       PHE  70   5.608 -13.041  -1.321
  529   2HB   PHE  70          1HB       PHE  70   7.019 -13.659  -0.470
  530    H    PHE  70           H        PHE  70   4.216 -14.831  -1.003
  531    HA   PHE  70           HA       PHE  70   6.424 -15.188  -2.880
  532    HD1  PHE  70           HD1      PHE  70   5.855 -12.526  -3.805
  533    HD2  PHE  70           HD2      PHE  70   9.163 -13.139  -1.200
  534    HE1  PHE  70           HE1      PHE  70   7.321 -11.361  -5.400
  535    HE2  PHE  70           HE2      PHE  70  10.635 -11.975  -2.791
  536    HZ   PHE  70           HZ       PHE  70   9.715 -11.084  -4.894
  537   1HA   GLY  71          1HA       GLY  71   7.871 -17.489   0.842
  538   2HA   GLY  71          2HA       GLY  71   6.647 -18.668   0.381
  539    H    GLY  71           H        GLY  71   5.231 -16.508   0.013
  540   1HB   LYS  72          2HB       LYS  72   7.639 -15.001   4.555
  541   2HB   LYS  72          1HB       LYS  72   6.619 -15.218   5.971
  542   1HG   LYS  72          2HG       LYS  72   8.021 -16.710   6.805
  543   2HG   LYS  72          1HG       LYS  72   7.906 -17.692   5.342
  544   1HD   LYS  72          2HD       LYS  72   9.748 -16.677   4.361
  545   2HD   LYS  72          1HD       LYS  72   9.628 -15.245   5.385
  546   1HE   LYS  72          2HE       LYS  72  11.514 -16.481   6.132
  547   2HE   LYS  72          1HE       LYS  72  10.240 -16.703   7.331
  548    H    LYS  72           H        LYS  72   7.093 -15.859   2.524
  549    HA   LYS  72           HA       LYS  72   5.827 -17.375   4.677
  550   1HZ   LYS  72          1HZ       LYS  72  10.308 -18.682   5.217
  551   2HZ   LYS  72          3HZ       LYS  72  11.642 -18.703   6.257
  552   3HZ   LYS  72          2HZ       LYS  72  10.081 -18.882   6.881
  553    H    THR  73           H        THR  73   4.561 -15.867   6.268
  554    HA   THR  73           HA       THR  73   2.583 -14.398   4.653
  555    HB   THR  73           HB       THR  73   0.913 -14.945   6.320
  556    HG1  THR  73           HG1      THR  73   1.924 -16.698   7.893
  557   1HG2  THR  73          1HG2      THR  73   2.535 -17.183   5.180
  558   2HG2  THR  73          3HG2      THR  73   1.162 -17.544   6.225
  559   3HG2  THR  73          2HG2      THR  73   0.921 -16.630   4.736
  560   1HA   GLY  74          2HA       GLY  74   3.624 -11.124   7.373
  561   2HA   GLY  74          1HA       GLY  74   1.914 -10.777   7.154
  562    H    GLY  74           H        GLY  74   2.185 -12.313   5.096
  563   1HG1  ILE  75          1HG1      ILE  75   2.045  -5.281   5.524
  564   2HG1  ILE  75          2HG1      ILE  75   1.757  -6.282   6.943
  565    H    ILE  75           H        ILE  75   3.167  -8.571   7.195
  566    HA   ILE  75           HA       ILE  75   2.831  -7.356   4.723
  567    HB   ILE  75           HB       ILE  75   4.189  -6.545   7.246
  568   1HG2  ILE  75          3HG2      ILE  75   4.614  -5.254   4.578
  569   2HG2  ILE  75          2HG2      ILE  75   4.640  -4.298   6.060
  570   3HG2  ILE  75          1HG2      ILE  75   5.791  -5.617   5.842
  571   1HD1  ILE  75          1HD1      ILE  75   3.160  -4.524   8.193
  572   2HD1  ILE  75          3HD1      ILE  75   2.846  -3.508   6.786
  573   3HD1  ILE  75          2HD1      ILE  75   1.501  -4.131   7.741
  574   1HG1  ILE  76          1HG1      ILE  76   4.797 -10.053   2.597
  575   2HG1  ILE  76          2HG1      ILE  76   3.822  -9.886   1.142
  576    H    ILE  76           H        ILE  76   3.946  -7.513   2.909
  577    HA   ILE  76           HA       ILE  76   6.696  -8.494   2.986
  578    HB   ILE  76           HB       ILE  76   4.937  -8.030   0.578
  579   1HG2  ILE  76          1HG2      ILE  76   7.432  -8.084   0.259
  580   2HG2  ILE  76          3HG2      ILE  76   7.387  -9.759   0.810
  581   3HG2  ILE  76          2HG2      ILE  76   6.521  -9.289  -0.653
  582   1HD1  ILE  76          2HD1      ILE  76   6.471 -11.298   1.319
  583   2HD1  ILE  76          1HD1      ILE  76   4.886 -12.069   1.273
  584   3HD1  ILE  76          3HD1      ILE  76   5.463 -11.154  -0.121
  585   1HB   ASP  77          2HB       ASP  77   6.964  -4.048   4.250
  586   2HB   ASP  77          1HB       ASP  77   8.691  -4.002   4.583
  587    H    ASP  77           H        ASP  77   7.706  -6.583   3.732
  588    HA   ASP  77           HA       ASP  77   7.779  -4.392   1.762
  589   1HB   TYR  78          2HB       TYR  78  10.822  -5.250  -0.981
  590   2HB   TYR  78          1HB       TYR  78  12.392  -4.452  -0.955
  591    H    TYR  78           H        TYR  78   9.576  -4.389   0.593
  592    HA   TYR  78           HA       TYR  78  11.969  -5.710   1.578
  593    HD1  TYR  78           HD1      TYR  78  10.654  -7.676  -0.731
  594    HD2  TYR  78           HD2      TYR  78  14.437  -5.730  -0.798
  595    HE1  TYR  78           HE1      TYR  78  11.754  -9.842  -1.117
  596    HE2  TYR  78           HE2      TYR  78  15.547  -7.889  -1.185
  597    HH   TYR  78           HH       TYR  78  15.285 -10.104  -1.287
  598   1HA   GLY  79          2HA       GLY  79  13.356  -1.655   2.688
  599   2HA   GLY  79          1HA       GLY  79  11.800  -1.013   3.212
  600    H    GLY  79           H        GLY  79  10.753  -2.836   2.208
  601   1HG1  ILE  80          1HG1      ILE  80  11.583   2.591   2.756
  602   2HG1  ILE  80          2HG1      ILE  80  12.606   3.957   3.184
  603    H    ILE  80           H        ILE  80  12.562   1.071   2.511
  604    HA   ILE  80           HA       ILE  80  11.539   1.957   0.129
  605    HB   ILE  80           HB       ILE  80  13.921   3.195   1.505
  606   1HG2  ILE  80          3HG2      ILE  80  11.841   4.230  -0.395
  607   2HG2  ILE  80          2HG2      ILE  80  12.765   5.308   0.651
  608   3HG2  ILE  80          1HG2      ILE  80  13.598   4.302  -0.534
  609   1HD1  ILE  80          1HD1      ILE  80  10.291   4.104   1.274
  610   2HD1  ILE  80          3HD1      ILE  80  10.213   4.521   2.985
  611   3HD1  ILE  80          2HD1      ILE  80  11.245   5.449   1.897
  612   1HB   ARG  81          2HB       ARG  81  12.711   2.226  -4.475
  613   2HB   ARG  81          1HB       ARG  81  13.909   1.020  -4.927
  614   1HG   ARG  81          2HG       ARG  81  12.002   0.215  -2.831
  615   2HG   ARG  81          1HG       ARG  81  11.330   0.458  -4.445
  616   1HD   ARG  81          2HD       ARG  81  11.949  -1.825  -4.306
  617   2HD   ARG  81          1HD       ARG  81  13.157  -1.033  -5.316
  618   1HH1  ARG  81          1HH1      ARG  81  14.613  -1.666  -5.805
  619   2HH1  ARG  81          2HH1      ARG  81  16.193  -2.288  -5.465
  620   1HH2  ARG  81          2HH2      ARG  81  15.707  -2.431  -2.004
  621   2HH2  ARG  81          1HH2      ARG  81  16.815  -2.724  -3.304
  622    H    ARG  81           H        ARG  81  12.359   2.437  -1.905
  623    HA   ARG  81           HA       ARG  81  14.717   0.879  -2.662
  624    HE   ARG  81           HE       ARG  81  13.629  -1.610  -2.465
  625   1HB   LEU  82          2HB       LEU  82  17.344   3.867  -3.170
  626   2HB   LEU  82          1HB       LEU  82  17.731   5.565  -3.078
  627    H    LEU  82           H        LEU  82  14.449   3.747  -1.452
  628    HA   LEU  82           HA       LEU  82  15.626   5.692  -1.545
  629    HG   LEU  82           HG       LEU  82  18.596   3.618  -1.352
  630   1HD1  LEU  82          1HD1      LEU  82  19.430   5.922  -1.878
  631   2HD1  LEU  82          3HD1      LEU  82  18.294   6.519  -0.671
  632   3HD1  LEU  82          2HD1      LEU  82  19.587   5.417  -0.194
  633   1HD2  LEU  82          2HD2      LEU  82  16.257   3.574  -0.403
  634   2HD2  LEU  82          1HD2      LEU  82  17.545   3.915   0.753
  635   3HD2  LEU  82          3HD2      LEU  82  16.537   5.228   0.142
  636   1HB   ASN  83          2HB       ASN  83  15.188   5.446  -6.260
  637   2HB   ASN  83          1HB       ASN  83  13.636   5.179  -7.049
  638   1HD2  ASN  83          2HD2      ASN  83  16.462   6.953  -7.066
  639   2HD2  ASN  83          1HD2      ASN  83  15.984   8.197  -8.167
  640    H    ASN  83           H        ASN  83  13.534   4.952  -3.633
  641    HA   ASN  83           HA       ASN  83  13.670   7.385  -5.094
  642   1HB   ARG  84          2HB       ARG  84   9.092   8.988  -5.263
  643   2HB   ARG  84          1HB       ARG  84   8.097   7.906  -4.298
  644   1HG   ARG  84          2HG       ARG  84   9.101   8.991  -2.602
  645   2HG   ARG  84          1HG       ARG  84  10.363   7.794  -2.881
  646   1HD   ARG  84          2HD       ARG  84  11.811   9.322  -3.662
  647   2HD   ARG  84          1HD       ARG  84  10.565  10.188  -4.558
  648   1HH1  ARG  84          1HH1      ARG  84  13.160  10.002  -2.961
  649   2HH1  ARG  84          2HH1      ARG  84  13.903  11.051  -1.800
  650   1HH2  ARG  84          1HH2      ARG  84  10.908  12.558  -0.811
  651   2HH2  ARG  84          2HH2      ARG  84  12.623  12.503  -0.577
  652    H    ARG  84           H        ARG  84  11.607   7.951  -4.894
  653    HA   ARG  84           HA       ARG  84   9.477   6.066  -4.716
  654    HE   ARG  84           HE       ARG  84   9.937  11.173  -2.341
  655   1HB   SER  85          2HB       SER  85  11.470   7.519  -9.671
  656   2HB   SER  85          1HB       SER  85  11.929   5.824  -9.506
  657    H    SER  85           H        SER  85  11.089   6.108  -7.228
  658    HA   SER  85           HA       SER  85   9.147   6.982  -9.218
  659    HG   SER  85           HG       SER  85  11.446   6.871 -11.714
  660   1HB   GLU  86          2HB       GLU  86   8.116   1.835  -6.566
  661   2HB   GLU  86          1HB       GLU  86   9.238   0.799  -7.436
  662   1HG   GLU  86          2HG       GLU  86  10.070   3.403  -6.197
  663   2HG   GLU  86          1HG       GLU  86  10.094   1.874  -5.320
  664    H    GLU  86           H        GLU  86   9.637   4.280  -7.385
  665    HA   GLU  86           HA       GLU  86   9.335   2.182  -9.244
  666   1HB   ARG  87          2HB       ARG  87   5.472  -0.125 -11.108
  667   2HB   ARG  87          1HB       ARG  87   4.270   1.116 -11.418
  668   1HG   ARG  87          2HG       ARG  87   5.813   2.569 -12.340
  669   2HG   ARG  87          1HG       ARG  87   7.178   1.785 -11.542
  670   1HD   ARG  87          2HD       ARG  87   5.634   0.888 -13.950
  671   2HD   ARG  87          1HD       ARG  87   7.372   1.134 -13.776
  672   1HH1  ARG  87          2HH1      ARG  87   8.874   0.376 -13.514
  673   2HH1  ARG  87          1HH1      ARG  87   9.806  -1.066 -13.287
  674   1HH2  ARG  87          2HH2      ARG  87   7.058  -3.050 -12.425
  675   2HH2  ARG  87          1HH2      ARG  87   8.773  -3.015 -12.668
  676    H    ARG  87           H        ARG  87   7.394   0.758  -9.372
  677    HA   ARG  87           HA       ARG  87   4.953   2.392  -9.545
  678    HE   ARG  87           HE       ARG  87   5.842  -1.145 -12.727
  679   1HB   TRP  88          2HB       TRP  88   3.942   1.223  -5.409
  680   2HB   TRP  88          1HB       TRP  88   2.932  -0.114  -4.876
  681    H    TRP  88           H        TRP  88   3.541   1.931  -8.011
  682    HA   TRP  88           HA       TRP  88   2.978  -0.858  -7.357
  683    HD1  TRP  88           HD1      TRP  88   6.388   0.772  -4.992
  684    HE1  TRP  88           HE1      TRP  88   7.925  -1.292  -4.951
  685    HE3  TRP  88           HE3      TRP  88   2.947  -2.812  -6.172
  686    HZ2  TRP  88           HZ2      TRP  88   7.696  -4.081  -5.354
  687    HZ3  TRP  88           HZ3      TRP  88   3.685  -5.154  -6.326
  688    HH2  TRP  88           HH2      TRP  88   6.012  -5.773  -5.928
  689   1HB   ASP  89          2HB       ASP  89  -0.686  -1.045  -4.574
  690   2HB   ASP  89          1HB       ASP  89  -2.073   0.029  -4.413
  691    H    ASP  89           H        ASP  89   1.460   0.012  -5.002
  692    HA   ASP  89           HA       ASP  89  -0.791   1.351  -6.347
  693    H    ALA  90           H        ALA  90  -2.153   1.240  -3.623
  694    HA   ALA  90           HA       ALA  90  -0.549   2.902  -1.927
  695   1HB   ALA  90          3HB       ALA  90  -1.051   4.642  -3.429
  696   2HB   ALA  90          1HB       ALA  90  -2.144   4.862  -2.060
  697   3HB   ALA  90          2HB       ALA  90  -2.741   4.149  -3.560
  698   1HB   TYR  91          2HB       TYR  91  -1.091   1.476   2.086
  699   2HB   TYR  91          1HB       TYR  91  -2.556   1.137   3.003
  700    H    TYR  91           H        TYR  91  -1.116   2.456   0.079
  701    HA   TYR  91           HA       TYR  91  -3.659   1.154   0.596
  702    HD1  TYR  91           HD1      TYR  91  -4.035  -0.769   1.574
  703    HD2  TYR  91           HD2      TYR  91   0.196  -0.412   1.804
  704    HE1  TYR  91           HE1      TYR  91  -3.816  -3.160   1.057
  705    HE2  TYR  91           HE2      TYR  91   0.433  -2.804   1.283
  706    HH   TYR  91           HH       TYR  91  -1.363  -4.573  -0.090
  707   1HB   CYS  92          2HB       CYS  92  -6.555   4.255  -0.245
  708   2HB   CYS  92          1HB       CYS  92  -7.459   4.758   1.177
  709    H    CYS  92           H        CYS  92  -4.820   3.176   0.085
  710    HA   CYS  92           HA       CYS  92  -4.703   5.558   1.414
  711   1HB   TYR  93          2HB       TYR  93  -4.711   4.584   5.566
  712   2HB   TYR  93          1HB       TYR  93  -4.781   6.307   5.922
  713    H    TYR  93           H        TYR  93  -6.065   6.447   3.128
  714    HA   TYR  93           HA       TYR  93  -7.186   4.675   5.089
  715    HD1  TYR  93           HD1      TYR  93  -7.163   6.661   7.485
  716    HD2  TYR  93           HD2      TYR  93  -4.411   3.417   7.539
  717    HE1  TYR  93           HE1      TYR  93  -7.817   6.157   9.801
  718    HE2  TYR  93           HE2      TYR  93  -5.055   2.902   9.855
  719    HH   TYR  93           HH       TYR  93  -7.718   3.833  11.276
  720   1HB   ASN  94          2HB       ASN  94  -9.014   8.872   4.404
  721   2HB   ASN  94          1HB       ASN  94 -10.387   7.777   4.269
  722   1HD2  ASN  94          1HD2      ASN  94 -11.089   9.976   3.315
  723   2HD2  ASN  94          2HD2      ASN  94 -11.952  11.001   4.408
  724    H    ASN  94           H        ASN  94  -8.890   5.688   5.887
  725    HA   ASN  94           HA       ASN  94  -8.813   8.391   6.779
  726   1HB   PRO  95          2HB       PRO  95 -12.284   8.221  10.999
  727   2HB   PRO  95          1HB       PRO  95 -10.904   7.119  11.056
  728   1HG   PRO  95          2HG       PRO  95 -11.065   9.904   9.970
  729   2HG   PRO  95          1HG       PRO  95  -9.793   9.159  10.954
  730   1HD   PRO  95          2HD       PRO  95  -9.565   9.464   8.278
  731   2HD   PRO  95          1HD       PRO  95  -8.841   8.094   9.144
  732    HA   PRO  95           HA       PRO  95 -11.898   6.225   9.190
  733   1HB   HIS  96          2HB       HIS  96 -14.030  11.037   7.903
  734   2HB   HIS  96          1HB       HIS  96 -13.330  10.930   6.291
  735    H    HIS  96           H        HIS  96 -12.277   8.627   7.009
  736    HA   HIS  96           HA       HIS  96 -15.156   8.887   7.576
  737    HD1  HIS  96           HD1      HIS  96 -16.685  11.330   7.987
  738    HD2  HIS  96           HD2      HIS  96 -14.908  11.893   4.274
  739    HE1  HIS  96           HE1      HIS  96 -18.401  12.533   6.597
  740    HE2  HIS  96           HE2      HIS  96 -17.270  12.940   4.382
  741    H    ALA  97           H        ALA  97 -12.821   7.675   5.535
  742    HA   ALA  97           HA       ALA  97 -14.219   8.002   3.037
  743   1HB   ALA  97          2HB       ALA  97 -12.071   5.967   3.448
  744   2HB   ALA  97          1HB       ALA  97 -12.417   6.965   2.036
  745   3HB   ALA  97          3HB       ALA  97 -11.666   7.683   3.461
  746   1HB   LYS  98          2HB       LYS  98 -17.220   5.677   6.303
  747   2HB   LYS  98          1HB       LYS  98 -18.522   5.908   5.142
  748   1HG   LYS  98          2HG       LYS  98 -18.269   3.186   5.194
  749   2HG   LYS  98          1HG       LYS  98 -17.924   3.633   6.865
  750   1HD   LYS  98          2HD       LYS  98 -20.024   5.012   6.826
  751   2HD   LYS  98          1HD       LYS  98 -20.387   4.290   5.258
  752   1HE   LYS  98          2HE       LYS  98 -19.804   2.106   6.826
  753   2HE   LYS  98          1HE       LYS  98 -20.653   3.179   7.940
  754    H    LYS  98           H        LYS  98 -16.110   7.021   4.580
  755    HA   LYS  98           HA       LYS  98 -16.180   4.131   4.512
  756   1HZ   LYS  98          2HZ       LYS  98 -22.446   3.347   6.286
  757   2HZ   LYS  98          1HZ       LYS  98 -21.645   2.220   5.311
  758   3HZ   LYS  98          3HZ       LYS  98 -22.221   1.763   6.836

  No H/Q in entry =         758
  Start of MODEL   18
    1   1HA   GLY   1          2HA       GLY   1  -9.579   1.902   8.693
    2   2HA   GLY   1          1HA       GLY   1  -9.940   3.609   8.487
    3    H1   GLY   1          2H        GLY   1 -11.437   1.707   6.850
    4    H2   GLY   1          1H        GLY   1 -11.815   1.784   8.497
    5    H3   GLY   1          3H        GLY   1 -11.936   3.170   7.534
    6    H    VAL   2           H        VAL   2  -7.779   1.442   7.622
    7    HA   VAL   2           HA       VAL   2  -7.043   2.886   5.230
    8    HB   VAL   2           HB       VAL   2  -5.182   2.444   6.552
    9   1HG1  VAL   2          3HG1      VAL   2  -6.665   0.098   7.318
   10   2HG1  VAL   2          2HG1      VAL   2  -4.988  -0.311   6.961
   11   3HG1  VAL   2          1HG1      VAL   2  -5.357   0.926   8.165
   12   1HG2  VAL   2          2HG2      VAL   2  -5.273   1.391   4.037
   13   2HG2  VAL   2          1HG2      VAL   2  -3.815   1.559   5.013
   14   3HG2  VAL   2          3HG2      VAL   2  -4.684   0.025   4.983
   15   1HB   TYR   3          2HB       TYR   3  -9.550   0.385   0.818
   16   2HB   TYR   3          1HB       TYR   3 -10.139   0.513   2.469
   17    H    TYR   3           H        TYR   3  -7.352   2.254   3.192
   18    HA   TYR   3           HA       TYR   3  -8.065  -0.552   2.690
   19    HD1  TYR   3           HD1      TYR   3  -8.858   2.870   3.534
   20    HD2  TYR   3           HD2      TYR   3 -10.333   2.175  -0.395
   21    HE1  TYR   3           HE1      TYR   3  -9.185   5.288   3.237
   22    HE2  TYR   3           HE2      TYR   3 -10.661   4.593  -0.705
   23    HH   TYR   3           HH       TYR   3  -9.439   6.918   1.547
   24   1HB   HIS   4          2HB       HIS   4  -4.769  -2.192  -1.086
   25   2HB   HIS   4          1HB       HIS   4  -6.283  -2.690  -0.343
   26    H    HIS   4           H        HIS   4  -7.805  -1.181   0.392
   27    HA   HIS   4           HA       HIS   4  -5.296  -0.072  -0.618
   28    HD1  HIS   4           HD1      HIS   4  -8.321  -3.072  -1.981
   29    HD2  HIS   4           HD2      HIS   4  -4.644  -2.485  -3.822
   30    HE1  HIS   4           HE1      HIS   4  -8.629  -3.838  -4.356
   31    HE2  HIS   4           HE2      HIS   4  -6.363  -3.565  -5.424
   32   1HB   ARG   5          2HB       ARG   5  -6.244   3.274  -3.145
   33   2HB   ARG   5          1HB       ARG   5  -7.029   3.338  -4.716
   34   1HG   ARG   5          2HG       ARG   5  -8.384   2.010  -2.408
   35   2HG   ARG   5          1HG       ARG   5  -8.420   3.765  -2.585
   36   1HD   ARG   5          2HD       ARG   5  -9.140   3.157  -5.048
   37   2HD   ARG   5          1HD       ARG   5  -9.655   1.654  -4.283
   38   1HH1  ARG   5          1HH1      ARG   5 -10.752   0.913  -3.087
   39   2HH1  ARG   5          2HH1      ARG   5 -12.306   0.941  -2.323
   40   1HH2  ARG   5          1HH2      ARG   5 -12.808   4.366  -2.817
   41   2HH2  ARG   5          2HH2      ARG   5 -13.475   2.904  -2.170
   42    H    ARG   5           H        ARG   5  -5.064   0.827  -2.606
   43    HA   ARG   5           HA       ARG   5  -7.282   0.789  -4.489
   44    HE   ARG   5           HE       ARG   5 -10.761   4.318  -3.821
   45   1HB   GLU   6          2HB       GLU   6  -4.234   0.210  -9.178
   46   2HB   GLU   6          1HB       GLU   6  -5.352  -0.555  -8.061
   47   1HG   GLU   6          2HG       GLU   6  -6.313   1.841  -9.504
   48   2HG   GLU   6          1HG       GLU   6  -6.094   0.361 -10.439
   49    H    GLU   6           H        GLU   6  -6.685   1.306  -6.618
   50    HA   GLU   6           HA       GLU   6  -3.789   1.197  -7.083
   51    H    ALA   7           H        ALA   7  -3.628   2.091  -9.644
   52    HA   ALA   7           HA       ALA   7  -3.963   4.957  -9.265
   53   1HB   ALA   7          3HB       ALA   7  -2.408   5.249 -11.019
   54   2HB   ALA   7          2HB       ALA   7  -1.814   3.885 -10.073
   55   3HB   ALA   7          1HB       ALA   7  -2.642   3.603 -11.604
   56   1HB   ARG   8          2HB       ARG   8  -7.084   7.569 -13.450
   57   2HB   ARG   8          1HB       ARG   8  -6.904   7.839 -11.723
   58   1HG   ARG   8          2HG       ARG   8  -4.334   7.302 -12.794
   59   2HG   ARG   8          1HG       ARG   8  -5.119   8.504 -13.820
   60   1HD   ARG   8          2HD       ARG   8  -5.744   9.614 -11.539
   61   2HD   ARG   8          1HD       ARG   8  -4.397   8.655 -10.926
   62   1HH1  ARG   8          1HH1      ARG   8  -5.715  11.253 -11.016
   63   2HH1  ARG   8          2HH1      ARG   8  -5.135  12.872 -11.225
   64   1HH2  ARG   8          1HH2      ARG   8  -2.340  11.935 -13.105
   65   2HH2  ARG   8          2HH2      ARG   8  -3.216  13.260 -12.412
   66    H    ARG   8           H        ARG   8  -4.691   6.290 -11.132
   67    HA   ARG   8           HA       ARG   8  -7.285   5.527 -11.933
   68    HE   ARG   8           HE       ARG   8  -3.113   9.808 -12.824
   69   1HB   SER   9          2HB       SER   9  -2.981   5.755 -15.437
   70   2HB   SER   9          1HB       SER   9  -2.420   4.084 -15.482
   71    H    SER   9           H        SER   9  -4.161   5.276 -13.480
   72    HA   SER   9           HA       SER   9  -5.300   4.558 -16.044
   73    HG   SER   9           HG       SER   9  -3.159   5.730 -17.528
   74   1HA   GLY  10          2HA       GLY  10  -4.079   0.388 -14.468
   75   2HA   GLY  10          1HA       GLY  10  -5.509   0.577 -13.462
   76    H    GLY  10           H        GLY  10  -4.478   2.974 -13.152
   77   1HB   LYS  11          2HB       LYS  11  -4.666  -2.171  -9.830
   78   2HB   LYS  11          1HB       LYS  11  -3.762  -3.104 -11.003
   79   1HG   LYS  11          2HG       LYS  11  -1.829  -2.795  -9.222
   80   2HG   LYS  11          1HG       LYS  11  -3.213  -2.635  -8.137
   81   1HD   LYS  11          2HD       LYS  11  -3.705  -4.836  -9.861
   82   2HD   LYS  11          1HD       LYS  11  -2.068  -5.003  -9.221
   83   1HE   LYS  11          2HE       LYS  11  -2.789  -5.153  -7.040
   84   2HE   LYS  11          1HE       LYS  11  -4.293  -4.293  -7.367
   85    H    LYS  11           H        LYS  11  -4.380  -1.306 -12.393
   86    HA   LYS  11           HA       LYS  11  -3.123  -0.367 -10.012
   87   1HZ   LYS  11          3HZ       LYS  11  -4.874  -6.338  -8.762
   88   2HZ   LYS  11          2HZ       LYS  11  -3.628  -7.113  -7.922
   89   3HZ   LYS  11          1HZ       LYS  11  -4.951  -6.482  -7.077
   90   1HB   TYR  12          2HB       TYR  12   0.161  -3.179 -11.169
   91   2HB   TYR  12          1HB       TYR  12   1.877  -2.809 -11.275
   92    H    TYR  12           H        TYR  12  -1.057  -0.793  -9.240
   93    HA   TYR  12           HA       TYR  12   1.198  -1.082  -9.338
   94    HD1  TYR  12           HD1      TYR  12   0.081  -2.509  -8.097
   95    HD2  TYR  12           HD2      TYR  12   2.514  -5.015 -10.522
   96    HE1  TYR  12           HE1      TYR  12   0.512  -3.958  -6.156
   97    HE2  TYR  12           HE2      TYR  12   2.950  -6.474  -8.591
   98    HH   TYR  12           HH       TYR  12   2.642  -6.790  -6.416
   99   1HB   LYS  13          2HB       LYS  13   1.518   2.577 -13.951
  100   2HB   LYS  13          1HB       LYS  13   1.050   0.905 -13.679
  101   1HG   LYS  13          2HG       LYS  13  -0.833   1.593 -12.352
  102   2HG   LYS  13          1HG       LYS  13  -0.325   3.281 -12.445
  103   1HD   LYS  13          2HD       LYS  13  -2.095   2.944 -14.024
  104   2HD   LYS  13          1HD       LYS  13  -0.588   3.155 -14.920
  105   1HE   LYS  13          2HE       LYS  13  -1.314   0.382 -14.213
  106   2HE   LYS  13          1HE       LYS  13  -2.341   1.177 -15.405
  107    H    LYS  13           H        LYS  13   1.194   1.184 -10.130
  108    HA   LYS  13           HA       LYS  13   2.949   1.523 -12.274
  109   1HZ   LYS  13          2HZ       LYS  13   0.364   1.676 -16.013
  110   2HZ   LYS  13          1HZ       LYS  13   0.146   0.011 -15.814
  111   3HZ   LYS  13          3HZ       LYS  13  -0.794   0.859 -16.936
  112   1HB   LEU  14          2HB       LEU  14   0.526   5.848  -8.153
  113   2HB   LEU  14          1HB       LEU  14  -0.394   4.883  -9.284
  114    H    LEU  14           H        LEU  14   1.323   2.609  -9.633
  115    HA   LEU  14           HA       LEU  14   1.761   5.441 -10.213
  116    HG   LEU  14           HG       LEU  14   0.923   3.037  -7.644
  117   1HD1  LEU  14          3HD1      LEU  14   0.560   5.533  -6.266
  118   2HD1  LEU  14          2HD1      LEU  14  -0.435   4.270  -5.539
  119   3HD1  LEU  14          1HD1      LEU  14   1.306   4.036  -5.702
  120   1HD2  LEU  14          2HD2      LEU  14  -1.475   3.234  -8.688
  121   2HD2  LEU  14          1HD2      LEU  14  -1.199   2.266  -7.240
  122   3HD2  LEU  14          3HD2      LEU  14  -1.880   3.886  -7.101
  123    H    THR  15           H        THR  15   2.738   6.767  -8.467
  124    HA   THR  15           HA       THR  15   5.018   5.330  -7.272
  125    HB   THR  15           HB       THR  15   6.358   7.252  -7.530
  126    HG1  THR  15           HG1      THR  15   5.543   9.273  -7.865
  127   1HG2  THR  15          1HG2      THR  15   5.094   6.110  -9.747
  128   2HG2  THR  15          3HG2      THR  15   5.075   7.848 -10.046
  129   3HG2  THR  15          2HG2      THR  15   6.602   7.024  -9.737
  130   1HB   TYR  16          2HB       TYR  16   6.620   7.397  -3.148
  131   2HB   TYR  16          1HB       TYR  16   6.609   8.997  -3.884
  132    H    TYR  16           H        TYR  16   5.850   7.618  -5.742
  133    HA   TYR  16           HA       TYR  16   4.207   7.215  -3.416
  134    HD1  TYR  16           HD1      TYR  16   5.170   7.130  -0.995
  135    HD2  TYR  16           HD2      TYR  16   6.502  10.871  -2.518
  136    HE1  TYR  16           HE1      TYR  16   4.849   8.139   1.222
  137    HE2  TYR  16           HE2      TYR  16   6.187  11.892  -0.303
  138    HH   TYR  16           HH       TYR  16   4.953   9.994   2.436
  139    H    ALA  17           H        ALA  17   5.283  10.150  -5.128
  140    HA   ALA  17           HA       ALA  17   3.476  11.913  -3.949
  141   1HB   ALA  17          1HB       ALA  17   4.577  12.082  -6.753
  142   2HB   ALA  17          2HB       ALA  17   5.439  12.588  -5.301
  143   3HB   ALA  17          3HB       ALA  17   3.958  13.415  -5.779
  144   1HB   GLU  18          2HB       GLU  18   2.104   8.120  -7.956
  145   2HB   GLU  18          1HB       GLU  18   0.476   8.336  -8.586
  146   1HG   GLU  18          2HG       GLU  18   1.149  10.035 -10.052
  147   2HG   GLU  18          1HG       GLU  18   2.680  10.269  -9.211
  148    H    GLU  18           H        GLU  18   3.114   9.678  -6.618
  149    HA   GLU  18           HA       GLU  18   0.618  10.705  -7.554
  150    H    ALA  19           H        ALA  19   1.467   7.774  -5.737
  151    HA   ALA  19           HA       ALA  19  -0.994   6.805  -5.098
  152   1HB   ALA  19          3HB       ALA  19   0.367   5.389  -4.055
  153   2HB   ALA  19          1HB       ALA  19   0.477   6.551  -2.731
  154   3HB   ALA  19          2HB       ALA  19   1.666   6.584  -4.035
  155   1HB   LYS  20          2HB       LYS  20   1.287  10.803  -1.669
  156   2HB   LYS  20          1HB       LYS  20   0.569  12.013  -2.725
  157   1HG   LYS  20          2HG       LYS  20  -0.610  13.011  -0.990
  158   2HG   LYS  20          1HG       LYS  20  -0.470  11.591   0.049
  159   1HD   LYS  20          2HD       LYS  20   1.090  12.976   1.008
  160   2HD   LYS  20          1HD       LYS  20   2.098  12.093  -0.139
  161   1HE   LYS  20          2HE       LYS  20   2.254  13.891  -1.587
  162   2HE   LYS  20          1HE       LYS  20   0.788  14.648  -0.966
  163    H    LYS  20           H        LYS  20   0.724   9.446  -3.510
  164    HA   LYS  20           HA       LYS  20  -1.053   9.852  -1.392
  165   1HZ   LYS  20          2HZ       LYS  20   3.189  14.371   0.728
  166   2HZ   LYS  20          1HZ       LYS  20   3.025  15.669  -0.343
  167   3HZ   LYS  20          3HZ       LYS  20   1.893  15.445   0.895
  168    H    ALA  21           H        ALA  21  -0.855  11.407  -4.580
  169    HA   ALA  21           HA       ALA  21  -3.032  13.154  -4.231
  170   1HB   ALA  21          2HB       ALA  21  -3.048  13.328  -6.683
  171   2HB   ALA  21          3HB       ALA  21  -1.951  11.950  -6.780
  172   3HB   ALA  21          1HB       ALA  21  -1.416  13.451  -6.023
  173    H    VAL  22           H        VAL  22  -2.867   9.862  -5.541
  174    HA   VAL  22           HA       VAL  22  -5.490   9.597  -6.414
  175    HB   VAL  22           HB       VAL  22  -3.353   7.735  -5.568
  176   1HG1  VAL  22          3HG1      VAL  22  -6.242   6.896  -5.685
  177   2HG1  VAL  22          2HG1      VAL  22  -4.871   5.787  -5.688
  178   3HG1  VAL  22          1HG1      VAL  22  -5.168   6.820  -4.288
  179   1HG2  VAL  22          2HG2      VAL  22  -3.616   8.451  -7.885
  180   2HG2  VAL  22          1HG2      VAL  22  -3.862   6.712  -7.724
  181   3HG2  VAL  22          3HG2      VAL  22  -5.249   7.784  -7.911
  182   1HB   CYS  23          2HB       CYS  23  -3.736   8.994  -1.147
  183   2HB   CYS  23          1HB       CYS  23  -4.968   9.302   0.071
  184    H    CYS  23           H        CYS  23  -4.080   9.166  -3.217
  185    HA   CYS  23           HA       CYS  23  -6.460   8.234  -1.960
  186   1HB   GLU  24          2HB       GLU  24  -4.230  13.329  -1.747
  187   2HB   GLU  24          1HB       GLU  24  -5.435  14.566  -2.073
  188   1HG   GLU  24          2HG       GLU  24  -5.693  14.930   0.339
  189   2HG   GLU  24          1HG       GLU  24  -4.459  13.709   0.643
  190    H    GLU  24           H        GLU  24  -4.728  11.335  -1.742
  191    HA   GLU  24           HA       GLU  24  -6.612  12.735  -0.266
  192   1HB   PHE  25          2HB       PHE  25  -7.058  12.356  -5.745
  193   2HB   PHE  25          1HB       PHE  25  -8.224  11.048  -5.731
  194    H    PHE  25           H        PHE  25  -6.921  11.539  -3.395
  195    HA   PHE  25           HA       PHE  25  -8.808  13.564  -4.275
  196    HD1  PHE  25           HD1      PHE  25  -7.754  14.583  -6.670
  197    HD2  PHE  25           HD2      PHE  25 -10.129  11.077  -7.097
  198    HE1  PHE  25           HE1      PHE  25  -8.992  15.651  -8.509
  199    HE2  PHE  25           HE2      PHE  25 -11.371  12.139  -8.937
  200    HZ   PHE  25           HZ       PHE  25 -10.804  14.429  -9.644
  201   1HB   GLU  26          2HB       GLU  26  -9.506   7.948  -2.779
  202   2HB   GLU  26          1HB       GLU  26 -11.168   7.500  -3.124
  203   1HG   GLU  26          2HG       GLU  26 -10.780   8.010  -5.507
  204   2HG   GLU  26          1HG       GLU  26  -9.091   8.344  -5.128
  205    H    GLU  26           H        GLU  26  -8.764  10.087  -3.656
  206    HA   GLU  26           HA       GLU  26 -11.589   9.795  -3.947
  207   1HA   GLY  27          1HA       GLY  27 -12.120  10.930   0.302
  208   2HA   GLY  27          2HA       GLY  27 -10.933  12.226   0.338
  209    H    GLY  27           H        GLY  27 -10.019  11.402  -1.655
  210   1HA   GLY  28          2HA       GLY  28  -8.250   9.000   2.132
  211   2HA   GLY  28          1HA       GLY  28  -8.328  10.385   3.214
  212    H    GLY  28           H        GLY  28  -8.637  11.469   0.727
  213   1HB   HIS  29          2HB       HIS  29  -2.898  10.528   3.929
  214   2HB   HIS  29          1HB       HIS  29  -3.514  11.843   2.936
  215    H    HIS  29           H        HIS  29  -6.041   9.054   3.294
  216    HA   HIS  29           HA       HIS  29  -4.161  10.302   1.443
  217    HD1  HIS  29           HD1      HIS  29  -4.474  13.363   4.651
  218    HD2  HIS  29           HD2      HIS  29  -5.707   9.431   5.172
  219    HE1  HIS  29           HE1      HIS  29  -6.180  13.431   6.489
  220    HE2  HIS  29           HE2      HIS  29  -6.993  11.059   6.715
  221   1HB   LEU  30          2HB       LEU  30   0.262   8.710   2.018
  222   2HB   LEU  30          1HB       LEU  30   0.650   7.005   2.096
  223    H    LEU  30           H        LEU  30  -1.874   9.465   1.902
  224    HA   LEU  30           HA       LEU  30  -1.902   6.654   1.743
  225    HG   LEU  30           HG       LEU  30  -0.523   8.512  -0.234
  226   1HD1  LEU  30          1HD1      LEU  30   2.108   7.929   0.547
  227   2HD1  LEU  30          3HD1      LEU  30   1.737   6.843  -0.793
  228   3HD1  LEU  30          2HD1      LEU  30   1.557   8.586  -0.995
  229   1HD2  LEU  30          2HD2      LEU  30  -1.623   6.301   0.080
  230   2HD2  LEU  30          1HD2      LEU  30  -0.709   6.444  -1.422
  231   3HD2  LEU  30          3HD2      LEU  30  -0.037   5.545  -0.061
  232    H    ALA  31           H        ALA  31  -2.172   5.249   3.342
  233    HA   ALA  31           HA       ALA  31  -2.159   5.923   6.068
  234   1HB   ALA  31          2HB       ALA  31  -2.360   3.421   4.512
  235   2HB   ALA  31          1HB       ALA  31  -1.877   3.271   6.202
  236   3HB   ALA  31          3HB       ALA  31  -3.401   4.055   5.787
  237    H    THR  32           H        THR  32  -0.796   3.937   7.369
  238    HA   THR  32           HA       THR  32   2.030   4.397   6.704
  239    HB   THR  32           HB       THR  32   2.570   5.299   8.693
  240    HG1  THR  32           HG1      THR  32   2.248   3.704  10.116
  241   1HG2  THR  32          2HG2      THR  32  -0.353   5.819   8.389
  242   2HG2  THR  32          1HG2      THR  32   0.479   6.399   9.831
  243   3HG2  THR  32          3HG2      THR  32   1.008   6.931   8.235
  244   1HB   TYR  33          2HB       TYR  33   5.157   1.314   7.760
  245   2HB   TYR  33          1HB       TYR  33   4.828   1.040   9.464
  246    H    TYR  33           H        TYR  33   3.505   2.867   7.760
  247    HA   TYR  33           HA       TYR  33   2.859   0.225   7.339
  248    HD1  TYR  33           HD1      TYR  33   5.342  -0.646   6.214
  249    HD2  TYR  33           HD2      TYR  33   5.075  -1.108  10.435
  250    HE1  TYR  33           HE1      TYR  33   6.201  -2.941   6.011
  251    HE2  TYR  33           HE2      TYR  33   5.934  -3.404  10.244
  252    HH   TYR  33           HH       TYR  33   6.150  -5.163   8.634
  253   1HB   LYS  34          2HB       LYS  34   2.649   2.539  12.426
  254   2HB   LYS  34          1HB       LYS  34   0.948   2.406  12.844
  255   1HG   LYS  34          2HG       LYS  34   1.486   0.693  14.500
  256   2HG   LYS  34          1HG       LYS  34   3.195   0.829  14.081
  257   1HD   LYS  34          2HD       LYS  34   3.416   2.889  15.075
  258   2HD   LYS  34          1HD       LYS  34   1.709   3.288  14.872
  259   1HE   LYS  34          2HE       LYS  34   2.268   2.899  17.221
  260   2HE   LYS  34          1HE       LYS  34   1.112   1.708  16.622
  261    H    LYS  34           H        LYS  34   2.955   1.917  10.464
  262    HA   LYS  34           HA       LYS  34   2.138  -0.159  12.102
  263   1HZ   LYS  34          2HZ       LYS  34   4.007   1.138  16.627
  264   2HZ   LYS  34          1HZ       LYS  34   3.074   0.895  18.018
  265   3HZ   LYS  34          3HZ       LYS  34   2.712   0.050  16.596
  266   1HB   GLN  35          2HB       GLN  35  -1.806   2.450   8.509
  267   2HB   GLN  35          1HB       GLN  35  -3.273   2.591   9.463
  268   1HG   GLN  35          2HG       GLN  35  -1.843   3.875  11.144
  269   2HG   GLN  35          1HG       GLN  35  -0.653   3.983   9.849
  270   1HE2  GLN  35          1HE2      GLN  35  -3.127   5.555  11.299
  271   2HE2  GLN  35          2HE2      GLN  35  -3.616   6.594  10.009
  272    H    GLN  35           H        GLN  35   0.146   2.217  10.369
  273    HA   GLN  35           HA       GLN  35  -2.350   1.324  11.253
  274   1HB   LEU  36          2HB       LEU  36   0.600  -0.784   7.062
  275   2HB   LEU  36          1HB       LEU  36   0.575  -2.526   7.247
  276    H    LEU  36           H        LEU  36  -0.247   0.214   8.668
  277    HA   LEU  36           HA       LEU  36  -2.107  -1.495   7.396
  278    HG   LEU  36           HG       LEU  36   0.418  -1.519   4.872
  279   1HD1  LEU  36          3HD1      LEU  36  -1.065  -3.769   6.078
  280   2HD1  LEU  36          2HD1      LEU  36  -1.526  -3.306   4.439
  281   3HD1  LEU  36          1HD1      LEU  36   0.141  -3.759   4.791
  282   1HD2  LEU  36          2HD2      LEU  36  -1.686  -0.151   5.918
  283   2HD2  LEU  36          1HD2      LEU  36  -1.437  -0.458   4.200
  284   3HD2  LEU  36          3HD2      LEU  36  -2.499  -1.509   5.139
  285   1HB   GLU  37          2HB       GLU  37   1.416  -3.153  11.717
  286   2HB   GLU  37          1HB       GLU  37   0.069  -2.485  12.624
  287   1HG   GLU  37          2HG       GLU  37  -0.382  -4.942  13.288
  288   2HG   GLU  37          1HG       GLU  37   1.288  -5.203  12.786
  289    H    GLU  37           H        GLU  37  -0.052  -1.818  10.185
  290    HA   GLU  37           HA       GLU  37  -0.152  -4.618  10.492
  291    H    ALA  38           H        ALA  38  -1.989  -2.069  12.128
  292    HA   ALA  38           HA       ALA  38  -3.777  -3.646  13.534
  293   1HB   ALA  38          2HB       ALA  38  -3.530  -1.187  13.777
  294   2HB   ALA  38          3HB       ALA  38  -5.210  -1.710  13.658
  295   3HB   ALA  38          1HB       ALA  38  -4.412  -0.984  12.263
  296    H    ALA  39           H        ALA  39  -3.716  -2.764  10.172
  297    HA   ALA  39           HA       ALA  39  -6.375  -3.622   9.553
  298   1HB   ALA  39          1HB       ALA  39  -4.024  -3.290   7.691
  299   2HB   ALA  39          2HB       ALA  39  -5.111  -1.990   8.181
  300   3HB   ALA  39          3HB       ALA  39  -5.729  -3.349   7.241
  301   1HB   ARG  40          2HB       ARG  40  -1.578  -6.603   8.711
  302   2HB   ARG  40          1HB       ARG  40  -1.721  -7.146  10.378
  303   1HG   ARG  40          2HG       ARG  40  -1.873  -9.422   9.709
  304   2HG   ARG  40          1HG       ARG  40  -2.035  -8.974   8.011
  305   1HD   ARG  40          2HD       ARG  40   0.185  -9.588   8.133
  306   2HD   ARG  40          1HD       ARG  40   0.274  -7.841   8.356
  307   1HH1  ARG  40          1HH1      ARG  40   1.163 -10.860   8.516
  308   2HH1  ARG  40          2HH1      ARG  40   2.190 -11.721   9.611
  309   1HH2  ARG  40          2HH2      ARG  40   1.833  -9.418  12.216
  310   2HH2  ARG  40          1HH2      ARG  40   2.572 -10.902  11.714
  311    H    ARG  40           H        ARG  40  -3.237  -5.105   9.739
  312    HA   ARG  40           HA       ARG  40  -3.913  -7.497   8.331
  313    HE   ARG  40           HE       ARG  40   0.482  -8.290  10.766
  314   1HB   LYS  41          2HB       LYS  41  -5.876  -6.349  13.651
  315   2HB   LYS  41          1HB       LYS  41  -5.395  -7.622  14.764
  316   1HG   LYS  41          2HG       LYS  41  -2.985  -6.978  14.098
  317   2HG   LYS  41          1HG       LYS  41  -3.724  -5.488  13.504
  318   1HD   LYS  41          2HD       LYS  41  -4.336  -4.790  15.609
  319   2HD   LYS  41          1HD       LYS  41  -4.390  -6.433  16.253
  320   1HE   LYS  41          2HE       LYS  41  -2.036  -6.559  16.399
  321   2HE   LYS  41          1HE       LYS  41  -1.824  -5.113  15.412
  322    H    LYS  41           H        LYS  41  -3.998  -6.464  11.684
  323    HA   LYS  41           HA       LYS  41  -4.320  -8.852  13.005
  324   1HZ   LYS  41          3HZ       LYS  41  -3.389  -4.572  17.728
  325   2HZ   LYS  41          2HZ       LYS  41  -1.888  -5.229  18.150
  326   3HZ   LYS  41          1HZ       LYS  41  -1.963  -3.832  17.200
  327   1HG1  ILE  42          2HG1      ILE  42  -8.753  -5.547   9.270
  328   2HG1  ILE  42          1HG1      ILE  42  -7.936  -7.069   8.929
  329    H    ILE  42           H        ILE  42  -6.657  -7.076  11.088
  330    HA   ILE  42           HA       ILE  42  -8.829  -8.845  11.842
  331    HB   ILE  42           HB       ILE  42 -10.271  -7.459  10.618
  332   1HG2  ILE  42          2HG2      ILE  42  -8.950  -6.451  12.633
  333   2HG2  ILE  42          1HG2      ILE  42  -8.270  -5.391  11.399
  334   3HG2  ILE  42          3HG2      ILE  42 -10.012  -5.428  11.666
  335   1HD1  ILE  42          1HD1      ILE  42 -10.881  -6.995   8.631
  336   2HD1  ILE  42          3HD1      ILE  42  -9.903  -6.161   7.425
  337   3HD1  ILE  42          2HD1      ILE  42  -9.666  -7.884   7.713
  338   1HA   GLY  43          1HA       GLY  43  -7.818 -10.714   7.849
  339   2HA   GLY  43          2HA       GLY  43  -6.076 -10.573   8.043
  340    H    GLY  43           H        GLY  43  -6.525  -8.467   9.270
  341   1HB   PHE  44          2HB       PHE  44  -6.206  -5.639   6.696
  342   2HB   PHE  44          1HB       PHE  44  -4.571  -5.841   6.080
  343    H    PHE  44           H        PHE  44  -5.635  -7.940   7.438
  344    HA   PHE  44           HA       PHE  44  -6.877  -7.355   4.882
  345    HD1  PHE  44           HD1      PHE  44  -7.522  -6.006   3.917
  346    HD2  PHE  44           HD2      PHE  44  -4.349  -3.568   5.359
  347    HE1  PHE  44           HE1      PHE  44  -7.993  -4.358   2.152
  348    HE2  PHE  44           HE2      PHE  44  -4.813  -1.915   3.598
  349    HZ   PHE  44           HZ       PHE  44  -6.639  -2.307   1.992
  350   1HB   HIS  45          2HB       HIS  45  -3.772 -11.325   3.498
  351   2HB   HIS  45          1HB       HIS  45  -5.435 -11.170   2.949
  352    H    HIS  45           H        HIS  45  -6.166  -9.035   3.554
  353    HA   HIS  45           HA       HIS  45  -3.271  -9.136   3.046
  354    HD1  HIS  45           HD1      HIS  45  -5.897 -12.437   0.895
  355    HD2  HIS  45           HD2      HIS  45  -1.929 -11.218   1.072
  356    HE1  HIS  45           HE1      HIS  45  -4.809 -13.378  -1.166
  357    HE2  HIS  45           HE2      HIS  45  -2.434 -12.542  -1.086
  358    H    VAL  46           H        VAL  46  -2.701  -7.896   1.394
  359    HA   VAL  46           HA       VAL  46  -4.182  -8.131  -1.120
  360    HB   VAL  46           HB       VAL  46  -3.199  -5.408  -0.447
  361   1HG1  VAL  46          2HG1      VAL  46  -4.160  -6.024  -2.651
  362   2HG1  VAL  46          1HG1      VAL  46  -5.693  -6.361  -1.847
  363   3HG1  VAL  46          3HG1      VAL  46  -5.035  -4.725  -1.841
  364   1HG2  VAL  46          2HG2      VAL  46  -5.246  -6.787   1.105
  365   2HG2  VAL  46          1HG2      VAL  46  -4.400  -5.275   1.434
  366   3HG2  VAL  46          3HG2      VAL  46  -5.815  -5.284   0.380
  367   1HB   CYS  47          2HB       CYS  47  -0.925  -9.213  -4.924
  368   2HB   CYS  47          1HB       CYS  47   0.233 -10.056  -3.901
  369    H    CYS  47           H        CYS  47  -2.770  -8.776  -2.604
  370    HA   CYS  47           HA       CYS  47   0.050  -8.549  -2.219
  371    H    ALA  48           H        ALA  48  -1.891  -6.147  -2.785
  372    HA   ALA  48           HA       ALA  48  -0.374  -4.938  -4.986
  373   1HB   ALA  48          2HB       ALA  48  -3.000  -4.979  -4.744
  374   2HB   ALA  48          3HB       ALA  48  -2.164  -3.582  -5.420
  375   3HB   ALA  48          1HB       ALA  48  -2.699  -3.561  -3.740
  376    H    ALA  49           H        ALA  49   1.530  -4.458  -3.863
  377    HA   ALA  49           HA       ALA  49   1.957  -3.379  -1.426
  378   1HB   ALA  49          1HB       ALA  49   4.032  -3.226  -2.188
  379   2HB   ALA  49          3HB       ALA  49   3.428  -3.579  -3.807
  380   3HB   ALA  49          2HB       ALA  49   3.579  -1.906  -3.268
  381   1HA   GLY  50          2HA       GLY  50  -0.166   0.234  -0.215
  382   2HA   GLY  50          1HA       GLY  50   0.209   0.617  -1.887
  383    H    GLY  50           H        GLY  50   1.428  -1.583  -0.348
  384   1HB   TRP  51          2HB       TRP  51   1.758   4.692  -2.309
  385   2HB   TRP  51          1HB       TRP  51   3.179   5.417  -1.561
  386    H    TRP  51           H        TRP  51   1.211   2.503  -2.010
  387    HA   TRP  51           HA       TRP  51   3.717   2.979  -0.810
  388    HD1  TRP  51           HD1      TRP  51   2.134   3.175  -4.455
  389    HE1  TRP  51           HE1      TRP  51   4.149   2.862  -6.038
  390    HE3  TRP  51           HE3      TRP  51   5.761   5.370  -1.597
  391    HZ2  TRP  51           HZ2      TRP  51   6.904   3.472  -6.065
  392    HZ3  TRP  51           HZ3      TRP  51   8.058   5.466  -2.474
  393    HH2  TRP  51           HH2      TRP  51   8.616   4.536  -4.661
  394   1HB   MET  52          2HB       MET  52   3.096   4.520   4.561
  395   2HB   MET  52          1HB       MET  52   2.242   3.453   3.458
  396   1HG   MET  52          2HG       MET  52   4.365   2.565   2.659
  397   2HG   MET  52          1HG       MET  52   5.230   3.643   3.753
  398    H    MET  52           H        MET  52   4.333   4.350   0.865
  399    HA   MET  52           HA       MET  52   2.289   5.638   2.476
  400   1HE   MET  52          3HE       MET  52   3.610   0.434   3.093
  401   2HE   MET  52          2HE       MET  52   5.256   0.123   3.645
  402   3HE   MET  52          1HE       MET  52   3.886  -0.494   4.567
  403    H    ALA  53           H        ALA  53   3.561   6.458   4.615
  404    HA   ALA  53           HA       ALA  53   5.117   8.565   3.913
  405   1HB   ALA  53          3HB       ALA  53   6.125   7.602   6.405
  406   2HB   ALA  53          1HB       ALA  53   4.387   7.312   6.329
  407   3HB   ALA  53          2HB       ALA  53   5.020   8.941   6.096
  408   1HB   LYS  54          2HB       LYS  54   8.890   6.356   5.070
  409   2HB   LYS  54          1HB       LYS  54  10.387   6.312   4.153
  410   1HG   LYS  54          2HG       LYS  54  11.160   7.231   6.076
  411   2HG   LYS  54          1HG       LYS  54  10.699   8.706   5.226
  412   1HD   LYS  54          2HD       LYS  54   8.564   8.734   6.403
  413   2HD   LYS  54          1HD       LYS  54   8.991   7.236   7.233
  414   1HE   LYS  54          2HE       LYS  54   9.418   9.026   8.740
  415   2HE   LYS  54          1HE       LYS  54  10.979   8.427   8.177
  416    H    LYS  54           H        LYS  54   7.346   9.049   3.912
  417    HA   LYS  54           HA       LYS  54   9.532   8.726   3.393
  418   1HZ   LYS  54          1HZ       LYS  54   9.642  10.740   6.907
  419   2HZ   LYS  54          3HZ       LYS  54  10.662  10.921   8.245
  420   3HZ   LYS  54          2HZ       LYS  54  11.266  10.279   6.802
  421   1HA   GLY  55          1HA       GLY  55   8.693   6.727  -0.452
  422   2HA   GLY  55          2HA       GLY  55   6.952   6.559  -0.302
  423    H    GLY  55           H        GLY  55   7.154   7.487   1.779
  424   1HB   ARG  56          2HB       ARG  56   8.454   3.334   3.779
  425   2HB   ARG  56          1HB       ARG  56   6.767   2.857   3.639
  426   1HG   ARG  56          2HG       ARG  56   7.370   0.565   3.324
  427   2HG   ARG  56          1HG       ARG  56   9.081   0.981   3.220
  428   1HD   ARG  56          2HD       ARG  56   7.287   1.202   5.630
  429   2HD   ARG  56          1HD       ARG  56   8.650   0.106   5.408
  430   1HH1  ARG  56          2HH1      ARG  56   6.799   2.583   6.442
  431   2HH1  ARG  56          1HH1      ARG  56   7.156   3.996   7.377
  432   1HH2  ARG  56          2HH2      ARG  56  10.602   3.863   6.798
  433   2HH2  ARG  56          1HH2      ARG  56   9.319   4.724   7.579
  434    H    ARG  56           H        ARG  56   7.400   4.943   2.210
  435    HA   ARG  56           HA       ARG  56   8.770   2.567   1.396
  436    HE   ARG  56           HE       ARG  56  10.120   2.003   5.568
  437    H    VAL  57           H        VAL  57   7.946   0.656   0.630
  438    HA   VAL  57           HA       VAL  57   5.062   0.579   0.055
  439    HB   VAL  57           HB       VAL  57   5.304   0.167  -2.156
  440   1HG1  VAL  57          2HG1      VAL  57   7.951   1.485  -1.567
  441   2HG1  VAL  57          1HG1      VAL  57   7.185   1.405  -3.154
  442   3HG1  VAL  57          3HG1      VAL  57   6.411   2.297  -1.844
  443   1HG2  VAL  57          3HG2      VAL  57   7.859  -1.241  -1.441
  444   2HG2  VAL  57          2HG2      VAL  57   6.364  -1.926  -2.083
  445   3HG2  VAL  57          1HG2      VAL  57   7.393  -0.932  -3.114
  446   1HA   GLY  58          2HA       GLY  58   4.968  -3.307   1.933
  447   2HA   GLY  58          1HA       GLY  58   5.547  -3.859   0.370
  448    H    GLY  58           H        GLY  58   4.080  -1.416   0.142
  449   1HB   TYR  59          2HB       TYR  59   1.257  -7.036  -1.266
  450   2HB   TYR  59          1HB       TYR  59   1.712  -5.394  -1.713
  451    H    TYR  59           H        TYR  59   4.171  -5.713   0.794
  452    HA   TYR  59           HA       TYR  59   1.304  -5.217   0.579
  453    HD1  TYR  59           HD1      TYR  59   4.203  -4.857  -1.922
  454    HD2  TYR  59           HD2      TYR  59   2.702  -8.838  -1.695
  455    HE1  TYR  59           HE1      TYR  59   6.300  -5.698  -2.888
  456    HE2  TYR  59           HE2      TYR  59   4.799  -9.684  -2.661
  457    HH   TYR  59           HH       TYR  59   7.354  -8.669  -2.696
  458   1HB   PRO  60          2HB       PRO  60  -0.677  -8.330   4.583
  459   2HB   PRO  60          1HB       PRO  60   0.675  -7.334   5.125
  460   1HG   PRO  60          2HG       PRO  60  -1.508  -6.683   3.196
  461   2HG   PRO  60          1HG       PRO  60  -0.764  -5.660   4.437
  462   1HD   PRO  60          2HD       PRO  60  -0.140  -5.460   1.810
  463   2HD   PRO  60          1HD       PRO  60   1.030  -5.125   3.100
  464    HA   PRO  60           HA       PRO  60   1.867  -8.550   3.598
  465   1HG1  ILE  61          2HG1      ILE  61   2.593 -10.446   0.525
  466   2HG1  ILE  61          1HG1      ILE  61   2.696 -11.442  -0.921
  467    H    ILE  61           H        ILE  61   1.872 -10.468   2.569
  468    HA   ILE  61           HA       ILE  61  -0.540 -11.300   1.120
  469    HB   ILE  61           HB       ILE  61   2.067 -12.782   1.044
  470   1HG2  ILE  61          2HG2      ILE  61  -0.459 -13.140  -0.120
  471   2HG2  ILE  61          1HG2      ILE  61   0.605 -12.594  -1.417
  472   3HG2  ILE  61          3HG2      ILE  61   1.025 -14.025  -0.475
  473   1HD1  ILE  61          2HD1      ILE  61   0.217 -10.655  -1.248
  474   2HD1  ILE  61          1HD1      ILE  61   0.747  -9.325  -0.218
  475   3HD1  ILE  61          3HD1      ILE  61   1.576  -9.644  -1.741
  476    H    VAL  62           H        VAL  62  -1.865 -12.088   2.690
  477    HA   VAL  62           HA       VAL  62  -0.852 -14.037   4.602
  478    HB   VAL  62           HB       VAL  62  -3.655 -12.958   4.278
  479   1HG1  VAL  62          3HG1      VAL  62  -2.344 -14.728   6.308
  480   2HG1  VAL  62          2HG1      VAL  62  -3.736 -13.731   6.737
  481   3HG1  VAL  62          1HG1      VAL  62  -3.879 -14.943   5.465
  482   1HG2  VAL  62          1HG2      VAL  62  -1.260 -11.838   5.515
  483   2HG2  VAL  62          3HG2      VAL  62  -2.775 -11.057   5.062
  484   3HG2  VAL  62          2HG2      VAL  62  -2.647 -11.910   6.601
  485   1HB   LYS  63          2HB       LYS  63  -5.194 -14.965   1.748
  486   2HB   LYS  63          1HB       LYS  63  -4.896 -15.137   0.025
  487   1HG   LYS  63          2HG       LYS  63  -5.142 -17.642   1.568
  488   2HG   LYS  63          1HG       LYS  63  -6.607 -16.674   1.386
  489   1HD   LYS  63          2HD       LYS  63  -4.929 -17.178  -1.020
  490   2HD   LYS  63          1HD       LYS  63  -5.927 -18.494  -0.402
  491   1HE   LYS  63          2HE       LYS  63  -7.817 -16.715  -0.398
  492   2HE   LYS  63          1HE       LYS  63  -6.764 -15.845  -1.511
  493    H    LYS  63           H        LYS  63  -2.821 -13.855   1.719
  494    HA   LYS  63           HA       LYS  63  -3.207 -16.775   1.832
  495   1HZ   LYS  63          2HZ       LYS  63  -7.055 -18.597  -2.224
  496   2HZ   LYS  63          1HZ       LYS  63  -8.546 -17.798  -2.177
  497   3HZ   LYS  63          3HZ       LYS  63  -7.300 -17.210  -3.161
  498   1HB   PRO  64          2HB       PRO  64   0.562 -18.778  -1.558
  499   2HB   PRO  64          1HB       PRO  64   1.317 -17.504  -0.600
  500   1HG   PRO  64          2HG       PRO  64  -0.717 -19.533   0.206
  501   2HG   PRO  64          1HG       PRO  64   0.671 -18.911   1.116
  502   1HD   PRO  64          2HD       PRO  64  -1.849 -18.088   1.602
  503   2HD   PRO  64          1HD       PRO  64  -0.453 -17.003   1.772
  504    HA   PRO  64           HA       PRO  64  -0.209 -16.132  -1.586
  505   1HA   GLY  65          2HA       GLY  65  -2.358 -17.528  -5.044
  506   2HA   GLY  65          1HA       GLY  65  -1.981 -19.158  -4.503
  507    H    GLY  65           H        GLY  65   0.022 -17.296  -3.682
  508   1HB   PRO  66          2HB       PRO  66  -1.088 -18.911 -10.361
  509   2HB   PRO  66          1HB       PRO  66  -1.377 -20.333  -9.353
  510   1HG   PRO  66          2HG       PRO  66  -2.791 -17.693  -9.361
  511   2HG   PRO  66          1HG       PRO  66  -3.473 -19.326  -9.250
  512   1HD   PRO  66          2HD       PRO  66  -3.100 -17.705  -7.087
  513   2HD   PRO  66          1HD       PRO  66  -3.060 -19.477  -6.995
  514    HA   PRO  66           HA       PRO  66   0.423 -19.470  -8.199
  515   1HB   ASN  67          2HB       ASN  67   0.480 -13.589  -9.888
  516   2HB   ASN  67          1HB       ASN  67   0.606 -15.234 -10.504
  517   1HD2  ASN  67          2HD2      ASN  67  -1.209 -16.558 -10.511
  518   2HD2  ASN  67          1HD2      ASN  67  -2.806 -15.922 -10.338
  519    H    ASN  67           H        ASN  67  -0.313 -16.487  -7.174
  520    HA   ASN  67           HA       ASN  67   1.783 -15.192  -8.430
  521   1HB   CYS  68          2HB       CYS  68  -1.255 -14.398  -4.849
  522   2HB   CYS  68          1HB       CYS  68  -0.858 -13.445  -3.423
  523    H    CYS  68           H        CYS  68   1.383 -15.109  -5.927
  524    HA   CYS  68           HA       CYS  68   0.821 -12.377  -5.314
  525   1HA   GLY  69          2HA       GLY  69   1.933 -16.226  -1.758
  526   2HA   GLY  69          1HA       GLY  69   2.312 -14.538  -1.438
  527    H    GLY  69           H        GLY  69   0.844 -15.555  -3.681
  528   1HB   PHE  70          2HB       PHE  70   6.229 -12.987  -1.454
  529   2HB   PHE  70          1HB       PHE  70   7.769 -13.815  -1.647
  530    H    PHE  70           H        PHE  70   4.399 -14.070  -1.449
  531    HA   PHE  70           HA       PHE  70   6.161 -15.099  -3.480
  532    HD1  PHE  70           HD1      PHE  70   5.119 -12.044  -3.542
  533    HD2  PHE  70           HD2      PHE  70   9.186 -13.290  -3.414
  534    HE1  PHE  70           HE1      PHE  70   5.592 -10.690  -5.541
  535    HE2  PHE  70           HE2      PHE  70   9.667 -11.937  -5.412
  536    HZ   PHE  70           HZ       PHE  70   7.869 -10.635  -6.478
  537   1HA   GLY  71          1HA       GLY  71   7.493 -17.859  -0.129
  538   2HA   GLY  71          2HA       GLY  71   6.050 -18.784  -0.525
  539    H    GLY  71           H        GLY  71   4.962 -16.511  -0.834
  540   1HB   LYS  72          2HB       LYS  72   7.668 -15.182   3.495
  541   2HB   LYS  72          1HB       LYS  72   6.711 -15.215   4.971
  542   1HG   LYS  72          2HG       LYS  72   8.068 -16.707   5.880
  543   2HG   LYS  72          1HG       LYS  72   7.872 -17.793   4.503
  544   1HD   LYS  72          2HD       LYS  72   9.602 -15.460   4.031
  545   2HD   LYS  72          1HD       LYS  72  10.213 -16.628   5.202
  546   1HE   LYS  72          2HE       LYS  72   9.108 -17.798   2.746
  547   2HE   LYS  72          1HE       LYS  72  10.551 -16.812   2.514
  548    H    LYS  72           H        LYS  72   6.915 -16.037   1.583
  549    HA   LYS  72           HA       LYS  72   5.829 -17.488   3.868
  550   1HZ   LYS  72          3HZ       LYS  72  10.825 -18.549   4.752
  551   2HZ   LYS  72          2HZ       LYS  72  10.470 -19.423   3.348
  552   3HZ   LYS  72          1HZ       LYS  72  11.813 -18.396   3.387
  553    H    THR  73           H        THR  73   4.685 -15.973   5.528
  554    HA   THR  73           HA       THR  73   2.621 -14.453   4.070
  555    HB   THR  73           HB       THR  73   1.053 -15.052   5.880
  556    HG1  THR  73           HG1      THR  73   2.650 -17.105   6.826
  557   1HG2  THR  73          2HG2      THR  73   2.146 -16.820   3.904
  558   2HG2  THR  73          1HG2      THR  73   1.632 -17.751   5.312
  559   3HG2  THR  73          3HG2      THR  73   0.486 -16.695   4.486
  560   1HA   GLY  74          2HA       GLY  74   4.054 -11.316   6.787
  561   2HA   GLY  74          1HA       GLY  74   2.326 -10.985   6.762
  562    H    GLY  74           H        GLY  74   2.589 -12.349   4.489
  563   1HG1  ILE  75          1HG1      ILE  75   1.920  -5.545   5.267
  564   2HG1  ILE  75          2HG1      ILE  75   1.756  -6.594   6.672
  565    H    ILE  75           H        ILE  75   3.414  -8.746   6.815
  566    HA   ILE  75           HA       ILE  75   2.928  -7.465   4.380
  567    HB   ILE  75           HB       ILE  75   4.195  -6.626   6.944
  568   1HG2  ILE  75          1HG2      ILE  75   4.372  -5.089   4.364
  569   2HG2  ILE  75          3HG2      ILE  75   4.521  -4.332   5.950
  570   3HG2  ILE  75          2HG2      ILE  75   5.686  -5.557   5.443
  571   1HD1  ILE  75          2HD1      ILE  75   3.152  -4.576   7.760
  572   2HD1  ILE  75          1HD1      ILE  75   2.259  -3.705   6.513
  573   3HD1  ILE  75          3HD1      ILE  75   1.390  -4.648   7.724
  574   1HG1  ILE  76          1HG1      ILE  76   5.283  -9.959   2.091
  575   2HG1  ILE  76          2HG1      ILE  76   4.189  -9.747   0.728
  576    H    ILE  76           H        ILE  76   4.066  -7.484   2.575
  577    HA   ILE  76           HA       ILE  76   6.881  -8.230   2.634
  578    HB   ILE  76           HB       ILE  76   5.076  -7.743   0.264
  579   1HG2  ILE  76          1HG2      ILE  76   7.903  -8.685   0.537
  580   2HG2  ILE  76          3HG2      ILE  76   6.919  -9.160  -0.847
  581   3HG2  ILE  76          2HG2      ILE  76   7.235  -7.454  -0.534
  582   1HD1  ILE  76          1HD1      ILE  76   6.989 -10.827   0.544
  583   2HD1  ILE  76          3HD1      ILE  76   5.517 -11.797   0.569
  584   3HD1  ILE  76          2HD1      ILE  76   5.824 -10.694  -0.773
  585   1HB   ASP  77          2HB       ASP  77   6.806  -3.867   4.212
  586   2HB   ASP  77          1HB       ASP  77   8.519  -3.756   4.601
  587    H    ASP  77           H        ASP  77   7.733  -6.311   3.541
  588    HA   ASP  77           HA       ASP  77   7.688  -3.984   1.735
  589   1HB   TYR  78          2HB       TYR  78  10.812  -4.668  -0.988
  590   2HB   TYR  78          1HB       TYR  78  12.338  -3.789  -0.965
  591    H    TYR  78           H        TYR  78   9.487  -3.842   0.575
  592    HA   TYR  78           HA       TYR  78  11.976  -4.965   1.602
  593    HD1  TYR  78           HD1      TYR  78  10.771  -7.096  -0.592
  594    HD2  TYR  78           HD2      TYR  78  14.436  -4.947  -0.806
  595    HE1  TYR  78           HE1      TYR  78  11.987  -9.212  -0.893
  596    HE2  TYR  78           HE2      TYR  78  15.663  -7.056  -1.109
  597    HH   TYR  78           HH       TYR  78  15.288  -9.318  -1.828
  598   1HA   GLY  79          2HA       GLY  79  13.065  -0.855   2.752
  599   2HA   GLY  79          1HA       GLY  79  11.452  -0.314   3.215
  600    H    GLY  79           H        GLY  79  10.623  -2.303   2.387
  601   1HG1  ILE  80          2HG1      ILE  80  12.747   3.592   3.075
  602   2HG1  ILE  80          1HG1      ILE  80  12.399   5.217   2.496
  603    H    ILE  80           H        ILE  80  12.652   1.725   2.378
  604    HA   ILE  80           HA       ILE  80  11.398   2.608   0.073
  605    HB   ILE  80           HB       ILE  80  13.989   3.746   1.092
  606   1HG2  ILE  80          1HG2      ILE  80  11.649   4.849  -0.432
  607   2HG2  ILE  80          3HG2      ILE  80  12.801   5.892   0.404
  608   3HG2  ILE  80          2HG2      ILE  80  13.352   4.830  -0.890
  609   1HD1  ILE  80          1HD1      ILE  80  10.426   3.659   1.348
  610   2HD1  ILE  80          3HD1      ILE  80  10.614   3.006   2.976
  611   3HD1  ILE  80          2HD1      ILE  80  10.261   4.720   2.748
  612   1HB   ARG  81          2HB       ARG  81  12.213   2.766  -4.532
  613   2HB   ARG  81          1HB       ARG  81  13.360   1.591  -5.162
  614   1HG   ARG  81          2HG       ARG  81  11.846   0.492  -2.967
  615   2HG   ARG  81          1HG       ARG  81  10.787   1.099  -4.241
  616   1HD   ARG  81          2HD       ARG  81  11.682  -0.334  -5.841
  617   2HD   ARG  81          1HD       ARG  81  13.150  -0.614  -4.906
  618   1HH1  ARG  81          2HH1      ARG  81  10.883  -1.519  -6.704
  619   2HH1  ARG  81          1HH1      ARG  81   9.942  -2.972  -6.773
  620   1HH2  ARG  81          1HH2      ARG  81  10.413  -3.779  -3.402
  621   2HH2  ARG  81          2HH2      ARG  81   9.674  -4.257  -4.894
  622    H    ARG  81           H        ARG  81  12.183   3.106  -2.019
  623    HA   ARG  81           HA       ARG  81  14.296   1.281  -2.917
  624    HE   ARG  81           HE       ARG  81  11.648  -1.863  -3.324
  625   1HB   LEU  82          2HB       LEU  82  17.164   3.823  -3.031
  626   2HB   LEU  82          1HB       LEU  82  17.479   5.237  -4.013
  627    H    LEU  82           H        LEU  82  14.364   4.170  -1.735
  628    HA   LEU  82           HA       LEU  82  15.697   5.999  -1.927
  629    HG   LEU  82           HG       LEU  82  19.167   5.022  -2.288
  630   1HD1  LEU  82          2HD1      LEU  82  18.141   7.287  -2.994
  631   2HD1  LEU  82          1HD1      LEU  82  17.446   7.290  -1.374
  632   3HD1  LEU  82          3HD1      LEU  82  19.196   7.227  -1.583
  633   1HD2  LEU  82          1HD2      LEU  82  16.789   4.782  -0.511
  634   2HD2  LEU  82          3HD2      LEU  82  18.295   3.864  -0.513
  635   3HD2  LEU  82          2HD2      LEU  82  18.264   5.509   0.124
  636   1HB   ASN  83          2HB       ASN  83  14.977   5.884  -6.561
  637   2HB   ASN  83          1HB       ASN  83  13.371   5.665  -7.249
  638   1HD2  ASN  83          2HD2      ASN  83  12.375   7.508  -8.273
  639   2HD2  ASN  83          1HD2      ASN  83  13.370   8.690  -9.043
  640    H    ASN  83           H        ASN  83  13.397   5.499  -3.810
  641    HA   ASN  83           HA       ASN  83  13.634   7.878  -5.309
  642   1HB   ARG  84          2HB       ARG  84   9.627   9.854  -5.011
  643   2HB   ARG  84          1HB       ARG  84   8.088   9.029  -4.809
  644   1HG   ARG  84          2HG       ARG  84   8.697   9.669  -2.655
  645   2HG   ARG  84          1HG       ARG  84   9.125   7.960  -2.741
  646   1HD   ARG  84          2HD       ARG  84  10.985   8.929  -1.738
  647   2HD   ARG  84          1HD       ARG  84  11.458   8.796  -3.432
  648   1HH1  ARG  84          2HH1      ARG  84  12.564   9.652  -1.097
  649   2HH1  ARG  84          1HH1      ARG  84  13.368  11.105  -0.604
  650   1HH2  ARG  84          2HH2      ARG  84  11.563  13.180  -2.761
  651   2HH2  ARG  84          1HH2      ARG  84  12.799  13.111  -1.550
  652    H    ARG  84           H        ARG  84  11.632   8.603  -5.111
  653    HA   ARG  84           HA       ARG  84   9.379   6.850  -4.822
  654    HE   ARG  84           HE       ARG  84  10.510  11.262  -3.404
  655   1HB   SER  85          2HB       SER  85  10.739   8.118  -9.759
  656   2HB   SER  85          1HB       SER  85  11.390   6.483  -9.640
  657    H    SER  85           H        SER  85  10.457   6.213  -7.219
  658    HA   SER  85           HA       SER  85   8.533   7.345  -9.142
  659    HG   SER  85           HG       SER  85  10.304   7.651 -11.749
  660   1HB   GLU  86          2HB       GLU  86   8.091   2.198  -6.529
  661   2HB   GLU  86          1HB       GLU  86   9.102   1.148  -7.509
  662   1HG   GLU  86          2HG       GLU  86   9.998   3.700  -6.197
  663   2HG   GLU  86          1HG       GLU  86  10.310   2.070  -5.603
  664    H    GLU  86           H        GLU  86   9.298   4.673  -7.408
  665    HA   GLU  86           HA       GLU  86   9.119   2.590  -9.303
  666   1HB   ARG  87          2HB       ARG  87   4.124   1.010 -11.363
  667   2HB   ARG  87          1HB       ARG  87   5.770   1.512 -11.710
  668   1HG   ARG  87          2HG       ARG  87   6.081  -0.818 -10.252
  669   2HG   ARG  87          1HG       ARG  87   4.692  -1.136 -11.291
  670   1HD   ARG  87          2HD       ARG  87   6.698   0.199 -12.816
  671   2HD   ARG  87          1HD       ARG  87   7.436  -1.164 -11.974
  672   1HH1  ARG  87          1HH1      ARG  87   8.405  -2.064 -13.132
  673   2HH1  ARG  87          2HH1      ARG  87   8.488  -3.339 -14.301
  674   1HH2  ARG  87          1HH2      ARG  87   5.068  -3.289 -15.026
  675   2HH2  ARG  87          2HH2      ARG  87   6.590  -4.036 -15.378
  676    H    ARG  87           H        ARG  87   7.338   1.053  -9.510
  677    HA   ARG  87           HA       ARG  87   4.761   2.451  -9.592
  678    HE   ARG  87           HE       ARG  87   4.969  -1.612 -13.485
  679   1HB   TRP  88          2HB       TRP  88   3.820   1.357  -5.504
  680   2HB   TRP  88          1HB       TRP  88   2.882   0.005  -4.886
  681    H    TRP  88           H        TRP  88   3.208   1.878  -8.241
  682    HA   TRP  88           HA       TRP  88   2.896  -0.845  -7.334
  683    HD1  TRP  88           HD1      TRP  88   6.278   1.018  -5.037
  684    HE1  TRP  88           HE1      TRP  88   7.908  -0.971  -4.987
  685    HE3  TRP  88           HE3      TRP  88   3.007  -2.728  -6.203
  686    HZ2  TRP  88           HZ2      TRP  88   7.809  -3.771  -5.376
  687    HZ3  TRP  88           HZ3      TRP  88   3.855  -5.033  -6.345
  688    HH2  TRP  88           HH2      TRP  88   6.207  -5.541  -5.942
  689   1HB   ASP  89          2HB       ASP  89  -0.694  -1.175  -4.561
  690   2HB   ASP  89          1HB       ASP  89  -2.103  -0.148  -4.305
  691    H    ASP  89           H        ASP  89   1.393  -0.014  -4.994
  692    HA   ASP  89           HA       ASP  89  -0.939   1.238  -6.288
  693    H    ALA  90           H        ALA  90  -2.262   1.096  -3.561
  694    HA   ALA  90           HA       ALA  90  -0.686   2.747  -1.842
  695   1HB   ALA  90          3HB       ALA  90  -1.115   4.523  -3.298
  696   2HB   ALA  90          1HB       ALA  90  -2.297   4.716  -2.001
  697   3HB   ALA  90          2HB       ALA  90  -2.792   4.031  -3.549
  698   1HB   TYR  91          2HB       TYR  91  -1.349   1.426   2.176
  699   2HB   TYR  91          1HB       TYR  91  -2.835   1.129   3.071
  700    H    TYR  91           H        TYR  91  -1.333   2.441   0.172
  701    HA   TYR  91           HA       TYR  91  -3.893   1.131   0.641
  702    HD1  TYR  91           HD1      TYR  91  -4.324  -0.787   1.682
  703    HD2  TYR  91           HD2      TYR  91  -0.088  -0.480   1.913
  704    HE1  TYR  91           HE1      TYR  91  -4.132  -3.192   1.221
  705    HE2  TYR  91           HE2      TYR  91   0.118  -2.886   1.447
  706    HH   TYR  91           HH       TYR  91  -1.753  -4.667   0.103
  707   1HB   CYS  92          2HB       CYS  92  -6.973   4.047  -0.013
  708   2HB   CYS  92          1HB       CYS  92  -7.614   5.174   1.176
  709    H    CYS  92           H        CYS  92  -5.036   3.141   0.104
  710    HA   CYS  92           HA       CYS  92  -4.891   5.552   1.383
  711   1HB   TYR  93          2HB       TYR  93  -4.841   4.775   5.579
  712   2HB   TYR  93          1HB       TYR  93  -4.976   6.507   5.871
  713    H    TYR  93           H        TYR  93  -6.150   6.506   3.095
  714    HA   TYR  93           HA       TYR  93  -7.317   4.762   5.086
  715    HD1  TYR  93           HD1      TYR  93  -7.238   6.954   7.471
  716    HD2  TYR  93           HD2      TYR  93  -4.656   3.571   7.532
  717    HE1  TYR  93           HE1      TYR  93  -7.883   6.513   9.802
  718    HE2  TYR  93           HE2      TYR  93  -5.296   3.119   9.863
  719    HH   TYR  93           HH       TYR  93  -6.538   3.750  11.590
  720   1HB   ASN  94          2HB       ASN  94  -9.768   7.866   4.033
  721   2HB   ASN  94          1HB       ASN  94 -11.205   8.382   4.910
  722   1HD2  ASN  94          2HD2      ASN  94 -11.486  10.318   3.965
  723   2HD2  ASN  94          1HD2      ASN  94 -10.366  11.630   4.080
  724    H    ASN  94           H        ASN  94  -8.975   5.764   6.047
  725    HA   ASN  94           HA       ASN  94  -8.995   8.525   6.697
  726   1HB   PRO  95          2HB       PRO  95 -12.411   8.671  10.950
  727   2HB   PRO  95          1HB       PRO  95 -10.990   7.638  11.149
  728   1HG   PRO  95          2HG       PRO  95 -11.246  10.267   9.744
  729   2HG   PRO  95          1HG       PRO  95  -9.942   9.678  10.791
  730   1HD   PRO  95          2HD       PRO  95  -9.743   9.696   8.096
  731   2HD   PRO  95          1HD       PRO  95  -8.969   8.452   9.100
  732    HA   PRO  95           HA       PRO  95 -11.908   6.477   9.397
  733   1HB   HIS  96          2HB       HIS  96 -14.101  11.086   7.696
  734   2HB   HIS  96          1HB       HIS  96 -13.799  10.893   5.971
  735    H    HIS  96           H        HIS  96 -12.423   8.819   7.069
  736    HA   HIS  96           HA       HIS  96 -15.320   8.863   7.609
  737    HD1  HIS  96           HD1      HIS  96 -15.228  13.029   5.511
  738    HD2  HIS  96           HD2      HIS  96 -17.317   9.882   7.242
  739    HE1  HIS  96           HE1      HIS  96 -17.661  13.610   5.245
  740    HE2  HIS  96           HE2      HIS  96 -18.908  11.663   6.246
  741    H    ALA  97           H        ALA  97 -12.898   7.722   5.584
  742    HA   ALA  97           HA       ALA  97 -14.472   7.689   3.153
  743   1HB   ALA  97          2HB       ALA  97 -11.769   6.554   3.846
  744   2HB   ALA  97          3HB       ALA  97 -12.128   7.973   2.861
  745   3HB   ALA  97          1HB       ALA  97 -12.533   6.361   2.268
  746   1HB   LYS  98          2HB       LYS  98 -15.572   4.546   6.783
  747   2HB   LYS  98          1HB       LYS  98 -17.328   4.482   6.681
  748   1HG   LYS  98          2HG       LYS  98 -17.386   2.218   6.643
  749   2HG   LYS  98          1HG       LYS  98 -15.848   2.083   5.790
  750   1HD   LYS  98          2HD       LYS  98 -14.974   3.106   8.109
  751   2HD   LYS  98          1HD       LYS  98 -16.404   2.253   8.690
  752   1HE   LYS  98          2HE       LYS  98 -15.195   0.453   6.964
  753   2HE   LYS  98          1HE       LYS  98 -13.847   1.207   7.814
  754    H    LYS  98           H        LYS  98 -16.040   6.492   4.897
  755    HA   LYS  98           HA       LYS  98 -15.773   3.621   4.292
  756   1HZ   LYS  98          2HZ       LYS  98 -16.171   0.258   9.344
  757   2HZ   LYS  98          1HZ       LYS  98 -15.014  -0.858   8.818
  758   3HZ   LYS  98          3HZ       LYS  98 -14.560   0.418   9.833

  No H/Q in entry =         758
  Start of MODEL   19
    1   1HA   GLY   1          2HA       GLY   1  -9.212   1.674   8.663
    2   2HA   GLY   1          1HA       GLY   1  -9.625   3.374   8.508
    3    H1   GLY   1          2H        GLY   1 -11.500   2.754   7.109
    4    H2   GLY   1          1H        GLY   1 -11.103   1.117   7.268
    5    H3   GLY   1          3H        GLY   1 -11.600   2.004   8.622
    6    H    VAL   2           H        VAL   2  -7.370   1.395   7.578
    7    HA   VAL   2           HA       VAL   2  -6.764   2.881   5.190
    8    HB   VAL   2           HB       VAL   2  -4.852   2.454   6.437
    9   1HG1  VAL   2          1HG1      VAL   2  -6.279   0.229   7.374
   10   2HG1  VAL   2          3HG1      VAL   2  -4.779  -0.401   6.693
   11   3HG1  VAL   2          2HG1      VAL   2  -4.726   0.837   7.950
   12   1HG2  VAL   2          3HG2      VAL   2  -4.964   1.499   3.909
   13   2HG2  VAL   2          2HG2      VAL   2  -3.490   1.576   4.875
   14   3HG2  VAL   2          1HG2      VAL   2  -4.401   0.069   4.777
   15   1HB   TYR   3          2HB       TYR   3  -9.330   0.457   0.752
   16   2HB   TYR   3          1HB       TYR   3  -9.908   0.598   2.405
   17    H    TYR   3           H        TYR   3  -7.180   2.318   3.159
   18    HA   TYR   3           HA       TYR   3  -7.837  -0.493   2.597
   19    HD1  TYR   3           HD1      TYR   3  -8.607   2.951   3.450
   20    HD2  TYR   3           HD2      TYR   3 -10.101   2.246  -0.469
   21    HE1  TYR   3           HE1      TYR   3  -8.915   5.372   3.139
   22    HE2  TYR   3           HE2      TYR   3 -10.406   4.664  -0.795
   23    HH   TYR   3           HH       TYR   3  -9.680   6.974   1.801
   24   1HB   HIS   4          2HB       HIS   4  -4.586  -2.073  -1.335
   25   2HB   HIS   4          1HB       HIS   4  -6.044  -2.574  -0.490
   26    H    HIS   4           H        HIS   4  -7.572  -1.080   0.287
   27    HA   HIS   4           HA       HIS   4  -5.048   0.017  -0.680
   28    HD1  HIS   4           HD1      HIS   4  -8.261  -2.678  -2.025
   29    HD2  HIS   4           HD2      HIS   4  -4.628  -2.481  -4.032
   30    HE1  HIS   4           HE1      HIS   4  -8.752  -3.415  -4.379
   31    HE2  HIS   4           HE2      HIS   4  -6.555  -3.210  -5.594
   32   1HB   ARG   5          2HB       ARG   5  -5.560   3.353  -3.143
   33   2HB   ARG   5          1HB       ARG   5  -6.195   3.611  -4.761
   34   1HG   ARG   5          2HG       ARG   5  -7.984   2.606  -2.591
   35   2HG   ARG   5          1HG       ARG   5  -7.596   4.324  -2.709
   36   1HD   ARG   5          2HD       ARG   5  -8.485   4.430  -4.937
   37   2HD   ARG   5          1HD       ARG   5  -8.718   2.683  -4.973
   38   1HH1  ARG   5          1HH1      ARG   5  -9.828   1.419  -4.737
   39   2HH1  ARG   5          2HH1      ARG   5 -11.428   0.879  -4.349
   40   1HH2  ARG   5          1HH2      ARG   5 -12.398   3.894  -2.871
   41   2HH2  ARG   5          2HH2      ARG   5 -12.889   2.288  -3.289
   42    H    ARG   5           H        ARG   5  -4.749   0.840  -2.735
   43    HA   ARG   5           HA       ARG   5  -7.098   1.150  -4.452
   44    HE   ARG   5           HE       ARG   5 -10.289   4.594  -3.385
   45   1HB   GLU   6          2HB       GLU   6  -6.523   1.087  -8.700
   46   2HB   GLU   6          1HB       GLU   6  -5.127   1.283  -9.751
   47   1HG   GLU   6          2HG       GLU   6  -5.764  -1.032  -9.661
   48   2HG   GLU   6          1HG       GLU   6  -4.197  -0.815  -8.883
   49    H    GLU   6           H        GLU   6  -6.481   2.093  -6.606
   50    HA   GLU   6           HA       GLU   6  -3.856   1.030  -7.400
   51    H    ALA   7           H        ALA   7  -3.323   2.139  -9.714
   52    HA   ALA   7           HA       ALA   7  -2.476   4.758  -9.075
   53   1HB   ALA   7          1HB       ALA   7  -1.563   4.834 -11.298
   54   2HB   ALA   7          2HB       ALA   7  -2.574   3.481 -11.804
   55   3HB   ALA   7          3HB       ALA   7  -1.288   3.228 -10.624
   56   1HB   ARG   8          2HB       ARG   8  -3.047   7.907 -12.569
   57   2HB   ARG   8          1HB       ARG   8  -4.538   8.145 -13.470
   58   1HG   ARG   8          2HG       ARG   8  -4.779   9.508 -10.993
   59   2HG   ARG   8          1HG       ARG   8  -3.226   9.934 -11.714
   60   1HD   ARG   8          2HD       ARG   8  -4.182  10.969 -13.503
   61   2HD   ARG   8          1HD       ARG   8  -5.597   9.917 -13.493
   62   1HH1  ARG   8          2HH1      ARG   8  -3.404  12.400 -12.749
   63   2HH1  ARG   8          1HH1      ARG   8  -3.621  13.973 -12.055
   64   1HH2  ARG   8          2HH2      ARG   8  -6.892  13.368 -10.980
   65   2HH2  ARG   8          1HH2      ARG   8  -5.603  14.523 -11.049
   66    H    ARG   8           H        ARG   8  -2.842   6.312 -11.267
   67    HA   ARG   8           HA       ARG   8  -5.282   7.553 -10.805
   68    HE   ARG   8           HE       ARG   8  -6.597  11.300 -11.895
   69   1HB   SER   9          2HB       SER   9  -6.867   6.172 -14.884
   70   2HB   SER   9          1HB       SER   9  -5.864   5.062 -15.820
   71    H    SER   9           H        SER   9  -4.501   4.880 -12.864
   72    HA   SER   9           HA       SER   9  -7.213   4.204 -13.266
   73    HG   SER   9           HG       SER   9  -8.010   3.713 -15.352
   74   1HA   GLY  10          2HA       GLY  10  -3.766   1.182 -14.192
   75   2HA   GLY  10          1HA       GLY  10  -5.256   0.383 -13.712
   76    H    GLY  10           H        GLY  10  -5.143   2.752 -12.276
   77   1HB   LYS  11          2HB       LYS  11  -4.501  -2.630 -10.823
   78   2HB   LYS  11          1HB       LYS  11  -3.104  -3.428 -11.533
   79   1HG   LYS  11          2HG       LYS  11  -2.048  -2.991  -9.172
   80   2HG   LYS  11          1HG       LYS  11  -3.740  -2.902  -8.675
   81   1HD   LYS  11          2HD       LYS  11  -3.720  -5.126  -8.553
   82   2HD   LYS  11          1HD       LYS  11  -3.610  -5.145 -10.314
   83   1HE   LYS  11          2HE       LYS  11  -1.368  -5.581 -10.309
   84   2HE   LYS  11          1HE       LYS  11  -1.103  -4.773  -8.764
   85    H    LYS  11           H        LYS  11  -3.646  -1.258 -12.996
   86    HA   LYS  11           HA       LYS  11  -2.928  -0.730 -10.198
   87   1HZ   LYS  11          2HZ       LYS  11  -2.465  -7.392  -9.085
   88   2HZ   LYS  11          1HZ       LYS  11  -0.846  -7.196  -8.634
   89   3HZ   LYS  11          3HZ       LYS  11  -2.082  -6.631  -7.624
   90   1HB   TYR  12          2HB       TYR  12   0.520  -3.372 -11.354
   91   2HB   TYR  12          1HB       TYR  12   2.230  -2.952 -11.316
   92    H    TYR  12           H        TYR  12  -0.892  -1.159  -9.400
   93    HA   TYR  12           HA       TYR  12   1.385  -1.264  -9.433
   94    HD1  TYR  12           HD1      TYR  12   0.717  -2.465  -8.137
   95    HD2  TYR  12           HD2      TYR  12   2.338  -5.456 -10.691
   96    HE1  TYR  12           HE1      TYR  12   1.041  -3.940  -6.194
   97    HE2  TYR  12           HE2      TYR  12   2.663  -6.939  -8.758
   98    HH   TYR  12           HH       TYR  12   1.688  -7.223  -6.471
   99   1HB   LYS  13          2HB       LYS  13   1.434   2.549 -14.002
  100   2HB   LYS  13          1HB       LYS  13   1.381   0.794 -13.937
  101   1HG   LYS  13          2HG       LYS  13  -0.747   0.757 -13.243
  102   2HG   LYS  13          1HG       LYS  13  -0.523   2.130 -12.157
  103   1HD   LYS  13          2HD       LYS  13  -1.923   3.076 -13.698
  104   2HD   LYS  13          1HD       LYS  13  -0.364   3.459 -14.431
  105   1HE   LYS  13          2HE       LYS  13  -1.776   0.916 -15.125
  106   2HE   LYS  13          1HE       LYS  13  -2.248   2.432 -15.892
  107    H    LYS  13           H        LYS  13   1.109   1.035 -10.306
  108    HA   LYS  13           HA       LYS  13   3.005   1.452 -12.349
  109   1HZ   LYS  13          2HZ       LYS  13   0.173   2.684 -16.481
  110   2HZ   LYS  13          1HZ       LYS  13   0.378   1.071 -16.016
  111   3HZ   LYS  13          3HZ       LYS  13  -0.660   1.458 -17.296
  112   1HB   LEU  14          2HB       LEU  14   0.260   5.674  -8.373
  113   2HB   LEU  14          1HB       LEU  14  -0.527   4.423  -9.301
  114    H    LEU  14           H        LEU  14   1.343   2.459  -9.738
  115    HA   LEU  14           HA       LEU  14   1.505   5.305 -10.372
  116    HG   LEU  14           HG       LEU  14   1.015   2.926  -7.650
  117   1HD1  LEU  14          2HD1      LEU  14   0.742   5.578  -6.447
  118   2HD1  LEU  14          1HD1      LEU  14   0.216   4.252  -5.409
  119   3HD1  LEU  14          3HD1      LEU  14   1.853   4.262  -6.064
  120   1HD2  LEU  14          2HD2      LEU  14  -1.723   3.550  -8.011
  121   2HD2  LEU  14          1HD2      LEU  14  -1.013   2.107  -7.287
  122   3HD2  LEU  14          3HD2      LEU  14  -1.409   3.497  -6.276
  123    H    THR  15           H        THR  15   2.389   6.733  -8.591
  124    HA   THR  15           HA       THR  15   4.860   5.521  -7.525
  125    HB   THR  15           HB       THR  15   6.032   7.548  -7.882
  126    HG1  THR  15           HG1      THR  15   4.674   9.172  -7.366
  127   1HG2  THR  15          2HG2      THR  15   4.290   6.750 -10.189
  128   2HG2  THR  15          1HG2      THR  15   5.456   8.062 -10.354
  129   3HG2  THR  15          3HG2      THR  15   6.007   6.441  -9.932
  130   1HB   TYR  16          2HB       TYR  16   6.554   7.795  -3.664
  131   2HB   TYR  16          1HB       TYR  16   6.363   9.427  -4.294
  132    H    TYR  16           H        TYR  16   5.594   7.931  -6.135
  133    HA   TYR  16           HA       TYR  16   4.103   7.499  -3.705
  134    HD1  TYR  16           HD1      TYR  16   5.254   7.303  -1.431
  135    HD2  TYR  16           HD2      TYR  16   6.279  11.196  -2.805
  136    HE1  TYR  16           HE1      TYR  16   5.056   8.158   0.864
  137    HE2  TYR  16           HE2      TYR  16   6.082  12.064  -0.513
  138    HH   TYR  16           HH       TYR  16   5.807  11.534   1.640
  139    H    ALA  17           H        ALA  17   4.915  10.390  -5.634
  140    HA   ALA  17           HA       ALA  17   3.118  12.119  -4.357
  141   1HB   ALA  17          2HB       ALA  17   4.985  12.837  -5.831
  142   2HB   ALA  17          1HB       ALA  17   4.049  12.288  -7.220
  143   3HB   ALA  17          3HB       ALA  17   3.448  13.609  -6.220
  144   1HB   GLU  18          2HB       GLU  18   1.772   8.185  -8.114
  145   2HB   GLU  18          1HB       GLU  18   0.097   8.190  -8.612
  146   1HG   GLU  18          2HG       GLU  18   0.500   9.649 -10.322
  147   2HG   GLU  18          1HG       GLU  18   1.935  10.324  -9.566
  148    H    GLU  18           H        GLU  18   2.719   9.817  -6.953
  149    HA   GLU  18           HA       GLU  18   0.161  10.689  -7.826
  150    H    ALA  19           H        ALA  19   1.104   7.811  -6.024
  151    HA   ALA  19           HA       ALA  19  -1.275   6.851  -5.165
  152   1HB   ALA  19          1HB       ALA  19   0.205   5.476  -4.229
  153   2HB   ALA  19          2HB       ALA  19   0.324   6.629  -2.900
  154   3HB   ALA  19          3HB       ALA  19   1.458   6.718  -4.250
  155   1HB   LYS  20          2HB       LYS  20   1.200  10.803  -1.794
  156   2HB   LYS  20          1HB       LYS  20   0.456  12.027  -2.814
  157   1HG   LYS  20          2HG       LYS  20  -0.809  12.885  -0.969
  158   2HG   LYS  20          1HG       LYS  20  -0.271  11.564   0.070
  159   1HD   LYS  20          2HD       LYS  20   1.864  12.417   0.277
  160   2HD   LYS  20          1HD       LYS  20   1.752  13.341  -1.222
  161   1HE   LYS  20          2HE       LYS  20   0.182  14.882  -0.160
  162   2HE   LYS  20          1HE       LYS  20   0.273  13.953   1.335
  163    H    LYS  20           H        LYS  20   0.563   9.442  -3.593
  164    HA   LYS  20           HA       LYS  20  -1.132   9.871  -1.432
  165   1HZ   LYS  20          3HZ       LYS  20   2.726  15.055   0.134
  166   2HZ   LYS  20          2HZ       LYS  20   1.722  16.049   1.063
  167   3HZ   LYS  20          1HZ       LYS  20   2.409  14.666   1.750
  168    H    ALA  21           H        ALA  21  -1.124  11.317  -4.662
  169    HA   ALA  21           HA       ALA  21  -3.224  13.148  -4.203
  170   1HB   ALA  21          2HB       ALA  21  -3.431  13.133  -6.714
  171   2HB   ALA  21          3HB       ALA  21  -2.172  11.897  -6.732
  172   3HB   ALA  21          1HB       ALA  21  -1.823  13.502  -6.088
  173    H    VAL  22           H        VAL  22  -3.221   9.887  -5.628
  174    HA   VAL  22           HA       VAL  22  -5.911   9.664  -6.238
  175    HB   VAL  22           HB       VAL  22  -3.723   7.770  -5.655
  176   1HG1  VAL  22          1HG1      VAL  22  -5.434   6.889  -4.180
  177   2HG1  VAL  22          3HG1      VAL  22  -6.605   6.910  -5.498
  178   3HG1  VAL  22          2HG1      VAL  22  -5.212   5.830  -5.573
  179   1HG2  VAL  22          3HG2      VAL  22  -4.259   8.526  -7.915
  180   2HG2  VAL  22          2HG2      VAL  22  -4.476   6.783  -7.752
  181   3HG2  VAL  22          1HG2      VAL  22  -5.880   7.850  -7.760
  182   1HB   CYS  23          2HB       CYS  23  -3.727   9.204  -1.101
  183   2HB   CYS  23          1HB       CYS  23  -4.903   9.270   0.204
  184    H    CYS  23           H        CYS  23  -4.234   9.234  -3.188
  185    HA   CYS  23           HA       CYS  23  -6.466   8.240  -1.726
  186   1HB   GLU  24          2HB       GLU  24  -4.269  13.343  -1.347
  187   2HB   GLU  24          1HB       GLU  24  -5.461  14.528  -1.862
  188   1HG   GLU  24          2HG       GLU  24  -5.977  14.937   0.545
  189   2HG   GLU  24          1HG       GLU  24  -4.621  13.886   0.954
  190    H    GLU  24           H        GLU  24  -4.788  11.368  -1.588
  191    HA   GLU  24           HA       GLU  24  -6.682  12.690  -0.022
  192   1HB   PHE  25          2HB       PHE  25  -7.389  12.186  -5.646
  193   2HB   PHE  25          1HB       PHE  25  -8.318  10.771  -5.159
  194    H    PHE  25           H        PHE  25  -7.036  11.516  -3.119
  195    HA   PHE  25           HA       PHE  25  -8.776  13.582  -4.132
  196    HD1  PHE  25           HD1      PHE  25  -8.525  14.027  -6.887
  197    HD2  PHE  25           HD2      PHE  25 -10.405  10.284  -6.133
  198    HE1  PHE  25           HE1      PHE  25 -10.161  14.495  -8.665
  199    HE2  PHE  25           HE2      PHE  25 -12.044  10.746  -7.910
  200    HZ   PHE  25           HZ       PHE  25 -11.924  12.854  -9.177
  201   1HB   GLU  26          2HB       GLU  26  -9.900   8.583  -1.803
  202   2HB   GLU  26          1HB       GLU  26 -11.500   8.452  -1.088
  203   1HG   GLU  26          2HG       GLU  26 -12.066   8.709  -3.753
  204   2HG   GLU  26          1HG       GLU  26 -10.578   7.762  -3.762
  205    H    GLU  26           H        GLU  26  -9.048  10.545  -2.438
  206    HA   GLU  26           HA       GLU  26 -11.953  10.540  -2.696
  207   1HA   GLY  27          1HA       GLY  27 -11.700  12.320   1.388
  208   2HA   GLY  27          2HA       GLY  27 -10.416  13.460   1.005
  209    H    GLY  27           H        GLY  27  -9.728  12.015  -0.771
  210   1HA   GLY  28          2HA       GLY  28  -8.025   9.308   2.553
  211   2HA   GLY  28          1HA       GLY  28  -8.082  10.710   3.616
  212    H    GLY  28           H        GLY  28  -8.645  10.937   0.723
  213   1HB   HIS  29          2HB       HIS  29  -2.700  10.573   4.197
  214   2HB   HIS  29          1HB       HIS  29  -3.123  11.930   3.158
  215    H    HIS  29           H        HIS  29  -5.815   9.181   3.460
  216    HA   HIS  29           HA       HIS  29  -3.961  10.508   1.652
  217    HD1  HIS  29           HD1      HIS  29  -4.735   9.781   5.845
  218    HD2  HIS  29           HD2      HIS  29  -4.973  13.600   4.227
  219    HE1  HIS  29           HE1      HIS  29  -6.387  11.019   7.283
  220    HE2  HIS  29           HE2      HIS  29  -6.450  13.352   6.336
  221   1HB   LEU  30          2HB       LEU  30   0.495   8.850   2.287
  222   2HB   LEU  30          1HB       LEU  30   0.848   7.135   2.263
  223    H    LEU  30           H        LEU  30  -1.623   9.658   2.240
  224    HA   LEU  30           HA       LEU  30  -1.701   6.845   1.883
  225    HG   LEU  30           HG       LEU  30  -0.510   8.612   0.008
  226   1HD1  LEU  30          2HD1      LEU  30   1.970   9.166   0.629
  227   2HD1  LEU  30          1HD1      LEU  30   2.294   7.609  -0.132
  228   3HD1  LEU  30          3HD1      LEU  30   1.508   8.892  -1.051
  229   1HD2  LEU  30          2HD2      LEU  30  -0.992   6.197   0.163
  230   2HD2  LEU  30          1HD2      LEU  30  -0.070   6.620  -1.279
  231   3HD2  LEU  30          3HD2      LEU  30   0.739   5.870   0.097
  232    H    ALA  31           H        ALA  31  -1.968   5.354   3.401
  233    HA   ALA  31           HA       ALA  31  -2.025   5.887   6.155
  234   1HB   ALA  31          1HB       ALA  31  -2.167   3.470   4.469
  235   2HB   ALA  31          3HB       ALA  31  -1.711   3.232   6.156
  236   3HB   ALA  31          2HB       ALA  31  -3.236   4.025   5.758
  237    H    THR  32           H        THR  32  -0.680   3.847   7.388
  238    HA   THR  32           HA       THR  32   2.160   4.363   6.828
  239    HB   THR  32           HB       THR  32   2.637   5.169   8.877
  240    HG1  THR  32           HG1      THR  32   2.283   3.579  10.270
  241   1HG2  THR  32          1HG2      THR  32   0.291   6.207   7.973
  242   2HG2  THR  32          3HG2      THR  32  -0.159   5.702   9.601
  243   3HG2  THR  32          2HG2      THR  32   1.183   6.820   9.364
  244   1HB   TYR  33          2HB       TYR  33   5.256   1.272   8.103
  245   2HB   TYR  33          1HB       TYR  33   4.832   0.976   9.783
  246    H    TYR  33           H        TYR  33   3.566   2.849   8.210
  247    HA   TYR  33           HA       TYR  33   2.997   0.200   7.524
  248    HD1  TYR  33           HD1      TYR  33   5.428  -0.710   6.533
  249    HD2  TYR  33           HD2      TYR  33   5.141  -1.142  10.756
  250    HE1  TYR  33           HE1      TYR  33   6.307  -3.000   6.353
  251    HE2  TYR  33           HE2      TYR  33   6.020  -3.431  10.587
  252    HH   TYR  33           HH       TYR  33   6.771  -5.021   9.239
  253   1HB   LYS  34          2HB       LYS  34   2.501   2.292  12.679
  254   2HB   LYS  34          1HB       LYS  34   0.806   2.078  13.083
  255   1HG   LYS  34          2HG       LYS  34   1.349   1.176  15.024
  256   2HG   LYS  34          1HG       LYS  34   2.307  -0.068  14.216
  257   1HD   LYS  34          2HD       LYS  34   4.238   0.935  14.738
  258   2HD   LYS  34          1HD       LYS  34   3.631   2.526  14.274
  259   1HE   LYS  34          2HE       LYS  34   2.376   2.569  16.449
  260   2HE   LYS  34          1HE       LYS  34   3.254   1.109  16.904
  261    H    LYS  34           H        LYS  34   2.941   1.736  10.732
  262    HA   LYS  34           HA       LYS  34   2.018  -0.415  12.210
  263   1HZ   LYS  34          2HZ       LYS  34   4.937   3.252  15.963
  264   2HZ   LYS  34          1HZ       LYS  34   4.094   3.619  17.382
  265   3HZ   LYS  34          3HZ       LYS  34   5.103   2.262  17.325
  266   1HB   GLN  35          2HB       GLN  35  -1.563   2.627   8.748
  267   2HB   GLN  35          1HB       GLN  35  -3.210   2.459   9.330
  268   1HG   GLN  35          2HG       GLN  35  -2.634   3.701  11.348
  269   2HG   GLN  35          1HG       GLN  35  -0.975   3.861  10.774
  270   1HE2  GLN  35          1HE2      GLN  35  -2.989   5.898  11.417
  271   2HE2  GLN  35          2HE2      GLN  35  -3.147   6.865   9.994
  272    H    GLN  35           H        GLN  35   0.134   2.089  10.531
  273    HA   GLN  35           HA       GLN  35  -2.404   1.141  11.246
  274   1HB   LEU  36          2HB       LEU  36   0.757  -0.635   7.056
  275   2HB   LEU  36          1HB       LEU  36   0.603  -2.371   6.885
  276    H    LEU  36           H        LEU  36  -0.198   0.270   8.657
  277    HA   LEU  36           HA       LEU  36  -2.018  -1.343   7.196
  278    HG   LEU  36           HG       LEU  36   0.606  -1.328   4.703
  279   1HD1  LEU  36          2HD1      LEU  36  -1.498  -2.970   5.705
  280   2HD1  LEU  36          1HD1      LEU  36  -2.146  -1.898   4.463
  281   3HD1  LEU  36          3HD1      LEU  36  -0.778  -2.948   4.095
  282   1HD2  LEU  36          3HD2      LEU  36  -1.009   0.631   6.014
  283   2HD2  LEU  36          2HD2      LEU  36  -0.251   0.696   4.424
  284   3HD2  LEU  36          1HD2      LEU  36  -1.866   0.011   4.603
  285   1HB   GLU  37          2HB       GLU  37   1.388  -3.212  11.529
  286   2HB   GLU  37          1HB       GLU  37  -0.033  -2.642  12.386
  287   1HG   GLU  37          2HG       GLU  37  -0.439  -5.147  12.877
  288   2HG   GLU  37          1HG       GLU  37   1.269  -5.324  12.472
  289    H    GLU  37           H        GLU  37  -0.089  -1.809  10.025
  290    HA   GLU  37           HA       GLU  37  -0.032  -4.629  10.107
  291    H    ALA  38           H        ALA  38  -2.086  -2.335  11.868
  292    HA   ALA  38           HA       ALA  38  -3.857  -4.165  12.994
  293   1HB   ALA  38          3HB       ALA  38  -3.710  -1.727  13.541
  294   2HB   ALA  38          1HB       ALA  38  -5.357  -2.325  13.334
  295   3HB   ALA  38          2HB       ALA  38  -4.588  -1.394  12.048
  296    H    ALA  39           H        ALA  39  -3.690  -2.821   9.784
  297    HA   ALA  39           HA       ALA  39  -6.262  -3.606   8.889
  298   1HB   ALA  39          2HB       ALA  39  -3.849  -3.408   7.109
  299   2HB   ALA  39          3HB       ALA  39  -4.620  -1.973   7.785
  300   3HB   ALA  39          1HB       ALA  39  -5.534  -3.050   6.729
  301   1HB   ARG  40          2HB       ARG  40  -1.609  -6.693   7.826
  302   2HB   ARG  40          1HB       ARG  40  -1.590  -7.237   9.497
  303   1HG   ARG  40          2HG       ARG  40  -2.149  -9.531   8.659
  304   2HG   ARG  40          1HG       ARG  40  -1.893  -8.920   7.025
  305   1HD   ARG  40          2HD       ARG  40   0.118  -9.997   7.785
  306   2HD   ARG  40          1HD       ARG  40   0.401  -8.261   7.672
  307   1HH1  ARG  40          1HH1      ARG  40   2.101  -8.035   8.159
  308   2HH1  ARG  40          2HH1      ARG  40   3.216  -7.693   9.439
  309   1HH2  ARG  40          1HH2      ARG  40   1.142  -8.926  11.968
  310   2HH2  ARG  40          2HH2      ARG  40   2.672  -8.200  11.604
  311    H    ARG  40           H        ARG  40  -3.162  -5.187   9.146
  312    HA   ARG  40           HA       ARG  40  -3.994  -7.543   7.691
  313    HE   ARG  40           HE       ARG  40  -0.322  -9.370  10.276
  314   1HB   LYS  41          2HB       LYS  41  -4.831  -5.982  12.894
  315   2HB   LYS  41          1HB       LYS  41  -5.345  -7.226  14.022
  316   1HG   LYS  41          2HG       LYS  41  -2.832  -7.843  14.106
  317   2HG   LYS  41          1HG       LYS  41  -2.594  -6.226  13.439
  318   1HD   LYS  41          2HD       LYS  41  -2.677  -5.476  15.537
  319   2HD   LYS  41          1HD       LYS  41  -4.403  -5.841  15.501
  320   1HE   LYS  41          2HE       LYS  41  -3.865  -7.078  17.318
  321   2HE   LYS  41          1HE       LYS  41  -3.468  -8.275  16.084
  322    H    LYS  41           H        LYS  41  -3.711  -6.463  10.998
  323    HA   LYS  41           HA       LYS  41  -3.947  -8.796  12.422
  324   1HZ   LYS  41          2HZ       LYS  41  -1.158  -7.026  16.224
  325   2HZ   LYS  41          1HZ       LYS  41  -1.695  -6.712  17.796
  326   3HZ   LYS  41          3HZ       LYS  41  -1.548  -8.309  17.256
  327   1HG1  ILE  42          2HG1      ILE  42  -8.554  -5.476   9.073
  328   2HG1  ILE  42          1HG1      ILE  42  -7.793  -7.007   8.650
  329    H    ILE  42           H        ILE  42  -6.365  -7.107  10.569
  330    HA   ILE  42           HA       ILE  42  -8.509  -8.788  11.609
  331    HB   ILE  42           HB       ILE  42 -10.041  -7.418  10.435
  332   1HG2  ILE  42          1HG2      ILE  42  -7.832  -6.017  11.835
  333   2HG2  ILE  42          3HG2      ILE  42  -9.040  -5.034  11.008
  334   3HG2  ILE  42          2HG2      ILE  42  -9.536  -6.165  12.267
  335   1HD1  ILE  42          2HD1      ILE  42 -10.754  -6.769   8.491
  336   2HD1  ILE  42          1HD1      ILE  42  -9.754  -6.058   7.225
  337   3HD1  ILE  42          3HD1      ILE  42  -9.652  -7.786   7.563
  338   1HA   GLY  43          1HA       GLY  43  -8.001 -10.602   7.469
  339   2HA   GLY  43          2HA       GLY  43  -6.245 -10.590   7.572
  340    H    GLY  43           H        GLY  43  -6.550  -8.362   8.734
  341   1HB   PHE  44          2HB       PHE  44  -5.952  -5.668   6.148
  342   2HB   PHE  44          1HB       PHE  44  -4.397  -6.102   5.447
  343    H    PHE  44           H        PHE  44  -5.619  -8.016   6.903
  344    HA   PHE  44           HA       PHE  44  -6.972  -7.303   4.445
  345    HD1  PHE  44           HD1      PHE  44  -7.001  -6.213   3.039
  346    HD2  PHE  44           HD2      PHE  44  -4.364  -3.563   5.072
  347    HE1  PHE  44           HE1      PHE  44  -7.328  -4.535   1.269
  348    HE2  PHE  44           HE2      PHE  44  -4.685  -1.881   3.307
  349    HZ   PHE  44           HZ       PHE  44  -6.171  -2.365   1.403
  350   1HB   HIS  45          2HB       HIS  45  -5.507 -11.597   2.915
  351   2HB   HIS  45          1HB       HIS  45  -6.360 -11.078   1.467
  352    H    HIS  45           H        HIS  45  -6.587  -9.154   3.162
  353    HA   HIS  45           HA       HIS  45  -3.823  -9.794   2.493
  354    HD1  HIS  45           HD1      HIS  45  -5.966 -13.365   0.333
  355    HD2  HIS  45           HD2      HIS  45  -2.476 -11.335   1.317
  356    HE1  HIS  45           HE1      HIS  45  -4.121 -14.568  -0.878
  357    HE2  HIS  45           HE2      HIS  45  -2.036 -13.258  -0.353
  358    H    VAL  46           H        VAL  46  -2.819  -8.937   0.813
  359    HA   VAL  46           HA       VAL  46  -4.000  -8.553  -1.725
  360    HB   VAL  46           HB       VAL  46  -5.077  -6.612  -1.168
  361   1HG1  VAL  46          1HG1      VAL  46  -3.265  -6.635   1.083
  362   2HG1  VAL  46          3HG1      VAL  46  -3.479  -5.006   0.441
  363   3HG1  VAL  46          2HG1      VAL  46  -4.883  -5.946   0.946
  364   1HG2  VAL  46          1HG2      VAL  46  -3.416  -6.096  -2.909
  365   2HG2  VAL  46          3HG2      VAL  46  -3.803  -4.691  -1.915
  366   3HG2  VAL  46          2HG2      VAL  46  -2.292  -5.563  -1.659
  367   1HB   CYS  47          2HB       CYS  47  -0.028  -9.456  -4.937
  368   2HB   CYS  47          1HB       CYS  47   0.837 -10.333  -3.681
  369    H    CYS  47           H        CYS  47  -2.345  -9.101  -2.967
  370    HA   CYS  47           HA       CYS  47   0.377  -8.777  -2.120
  371    H    ALA  48           H        ALA  48  -1.697  -6.565  -3.257
  372    HA   ALA  48           HA       ALA  48   0.105  -5.265  -5.138
  373   1HB   ALA  48          3HB       ALA  48  -2.536  -5.396  -5.196
  374   2HB   ALA  48          1HB       ALA  48  -1.664  -3.993  -5.813
  375   3HB   ALA  48          2HB       ALA  48  -2.388  -3.945  -4.206
  376    H    ALA  49           H        ALA  49   1.839  -4.726  -3.785
  377    HA   ALA  49           HA       ALA  49   1.870  -3.578  -1.326
  378   1HB   ALA  49          2HB       ALA  49   4.033  -3.619  -1.813
  379   2HB   ALA  49          1HB       ALA  49   3.680  -3.741  -3.537
  380   3HB   ALA  49          3HB       ALA  49   3.813  -2.155  -2.774
  381   1HA   GLY  50          2HA       GLY  50  -0.281   0.140  -0.641
  382   2HA   GLY  50          1HA       GLY  50   0.401   0.463  -2.228
  383    H    GLY  50           H        GLY  50   1.381  -1.654  -0.414
  384   1HB   TRP  51          2HB       TRP  51   1.862   4.683  -2.228
  385   2HB   TRP  51          1HB       TRP  51   3.318   5.274  -1.433
  386    H    TRP  51           H        TRP  51   1.429   2.341  -2.218
  387    HA   TRP  51           HA       TRP  51   3.715   2.854  -0.708
  388    HD1  TRP  51           HD1      TRP  51   2.145   3.338  -4.476
  389    HE1  TRP  51           HE1      TRP  51   4.156   2.931  -6.043
  390    HE3  TRP  51           HE3      TRP  51   5.909   4.936  -1.405
  391    HZ2  TRP  51           HZ2      TRP  51   6.957   3.255  -5.981
  392    HZ3  TRP  51           HZ3      TRP  51   8.223   4.857  -2.235
  393    HH2  TRP  51           HH2      TRP  51   8.736   4.033  -4.476
  394   1HB   MET  52          2HB       MET  52   2.791   4.277   4.634
  395   2HB   MET  52          1HB       MET  52   1.959   3.194   3.527
  396   1HG   MET  52          2HG       MET  52   3.979   2.247   2.775
  397   2HG   MET  52          1HG       MET  52   4.941   3.521   3.523
  398    H    MET  52           H        MET  52   4.124   4.294   1.015
  399    HA   MET  52           HA       MET  52   1.857   5.328   2.518
  400   1HE   MET  52          1HE       MET  52   4.728   0.224   3.504
  401   2HE   MET  52          3HE       MET  52   4.577  -0.452   5.126
  402   3HE   MET  52          2HE       MET  52   3.132  -0.008   4.218
  403    H    ALA  53           H        ALA  53   3.068   6.074   4.822
  404    HA   ALA  53           HA       ALA  53   4.367   8.423   4.208
  405   1HB   ALA  53          3HB       ALA  53   4.377   8.769   6.422
  406   2HB   ALA  53          2HB       ALA  53   3.478   7.254   6.504
  407   3HB   ALA  53          1HB       ALA  53   5.224   7.259   6.754
  408   1HB   LYS  54          2HB       LYS  54   8.203   6.802   5.718
  409   2HB   LYS  54          1HB       LYS  54   9.364   6.258   4.517
  410   1HG   LYS  54          2HG       LYS  54  10.992   7.736   5.228
  411   2HG   LYS  54          1HG       LYS  54   9.824   8.812   5.995
  412   1HD   LYS  54          2HD       LYS  54   9.862   7.670   7.927
  413   2HD   LYS  54          1HD       LYS  54   9.864   6.105   7.110
  414   1HE   LYS  54          2HE       LYS  54  11.918   6.578   8.449
  415   2HE   LYS  54          1HE       LYS  54  12.218   6.211   6.750
  416    H    LYS  54           H        LYS  54   6.531   9.120   4.326
  417    HA   LYS  54           HA       LYS  54   8.785   9.017   4.040
  418   1HZ   LYS  54          3HZ       LYS  54  11.997   8.991   7.736
  419   2HZ   LYS  54          2HZ       LYS  54  13.468   8.155   7.739
  420   3HZ   LYS  54          1HZ       LYS  54  12.664   8.444   6.280
  421   1HA   GLY  55          1HA       GLY  55   8.319   6.977   0.082
  422   2HA   GLY  55          2HA       GLY  55   6.607   6.577   0.127
  423    H    GLY  55           H        GLY  55   6.592   7.032   2.422
  424   1HB   ARG  56          2HB       ARG  56   8.354   3.179   3.845
  425   2HB   ARG  56          1HB       ARG  56   6.731   2.515   3.720
  426   1HG   ARG  56          2HG       ARG  56   7.811   0.382   2.892
  427   2HG   ARG  56          1HG       ARG  56   9.349   1.082   3.399
  428   1HD   ARG  56          2HD       ARG  56   6.951   0.559   5.152
  429   2HD   ARG  56          1HD       ARG  56   8.461  -0.352   5.143
  430   1HH1  ARG  56          1HH1      ARG  56  10.064  -0.464   5.760
  431   2HH1  ARG  56          2HH1      ARG  56  11.253   0.040   6.914
  432   1HH2  ARG  56          1HH2      ARG  56   9.648   3.052   7.680
  433   2HH2  ARG  56          2HH2      ARG  56  11.017   2.041   8.007
  434    H    ARG  56           H        ARG  56   6.899   4.741   2.375
  435    HA   ARG  56           HA       ARG  56   8.650   2.641   1.391
  436    HE   ARG  56           HE       ARG  56   8.090   2.376   6.158
  437    H    VAL  57           H        VAL  57   7.952   0.610   0.679
  438    HA   VAL  57           HA       VAL  57   5.095   0.431  -0.012
  439    HB   VAL  57           HB       VAL  57   5.489   0.031  -2.182
  440   1HG1  VAL  57          3HG1      VAL  57   6.891   2.035  -1.661
  441   2HG1  VAL  57          2HG1      VAL  57   8.295   0.968  -1.622
  442   3HG1  VAL  57          1HG1      VAL  57   7.372   1.158  -3.113
  443   1HG2  VAL  57          2HG2      VAL  57   7.857  -1.591  -1.285
  444   2HG2  VAL  57          1HG2      VAL  57   6.322  -2.166  -1.936
  445   3HG2  VAL  57          3HG2      VAL  57   7.467  -1.329  -2.984
  446   1HA   GLY  58          2HA       GLY  58   5.008  -3.370   2.030
  447   2HA   GLY  58          1HA       GLY  58   5.549  -4.005   0.485
  448    H    GLY  58           H        GLY  58   4.136  -1.580   0.090
  449   1HB   TYR  59          2HB       TYR  59   1.331  -7.416  -0.757
  450   2HB   TYR  59          1HB       TYR  59   1.630  -5.825  -1.453
  451    H    TYR  59           H        TYR  59   4.129  -5.808   1.086
  452    HA   TYR  59           HA       TYR  59   1.279  -5.230   0.739
  453    HD1  TYR  59           HD1      TYR  59   4.132  -5.083  -1.596
  454    HD2  TYR  59           HD2      TYR  59   2.873  -9.124  -1.089
  455    HE1  TYR  59           HE1      TYR  59   6.305  -5.861  -2.438
  456    HE2  TYR  59           HE2      TYR  59   5.044  -9.906  -1.936
  457    HH   TYR  59           HH       TYR  59   7.530  -7.619  -3.028
  458   1HB   PRO  60          2HB       PRO  60  -1.215  -7.269   4.666
  459   2HB   PRO  60          1HB       PRO  60   0.165  -7.075   5.746
  460   1HG   PRO  60          2HG       PRO  60  -1.005  -4.988   4.489
  461   2HG   PRO  60          1HG       PRO  60   0.721  -5.023   4.885
  462   1HD   PRO  60          2HD       PRO  60  -0.634  -5.497   2.266
  463   2HD   PRO  60          1HD       PRO  60   0.896  -4.665   2.614
  464    HA   PRO  60           HA       PRO  60   1.579  -8.060   4.267
  465   1HG1  ILE  61          2HG1      ILE  61   2.461 -10.375   1.164
  466   2HG1  ILE  61          1HG1      ILE  61   2.293 -11.421  -0.241
  467    H    ILE  61           H        ILE  61   1.630  -9.940   2.980
  468    HA   ILE  61           HA       ILE  61  -0.844 -10.927   1.827
  469    HB   ILE  61           HB       ILE  61   1.706 -12.499   1.964
  470   1HG2  ILE  61          2HG2      ILE  61  -0.828 -12.833   0.748
  471   2HG2  ILE  61          1HG2      ILE  61   0.357 -12.593  -0.537
  472   3HG2  ILE  61          3HG2      ILE  61   0.585 -13.884   0.643
  473   1HD1  ILE  61          2HD1      ILE  61  -0.049  -9.770   0.454
  474   2HD1  ILE  61          1HD1      ILE  61   1.372  -8.924  -0.161
  475   3HD1  ILE  61          3HD1      ILE  61   0.619 -10.197  -1.122
  476    H    VAL  62           H        VAL  62  -2.265 -11.993   3.014
  477    HA   VAL  62           HA       VAL  62  -1.424 -13.313   5.474
  478    HB   VAL  62           HB       VAL  62  -4.261 -13.241   4.519
  479   1HG1  VAL  62          3HG1      VAL  62  -3.056 -14.241   6.762
  480   2HG1  VAL  62          2HG1      VAL  62  -3.621 -12.662   7.310
  481   3HG1  VAL  62          1HG1      VAL  62  -4.763 -13.817   6.623
  482   1HG2  VAL  62          3HG2      VAL  62  -2.668 -10.935   5.586
  483   2HG2  VAL  62          2HG2      VAL  62  -3.749 -10.986   4.194
  484   3HG2  VAL  62          1HG2      VAL  62  -4.411 -11.041   5.828
  485   1HB   LYS  63          2HB       LYS  63  -4.768 -15.693   2.211
  486   2HB   LYS  63          1HB       LYS  63  -4.115 -16.025   0.614
  487   1HG   LYS  63          2HG       LYS  63  -4.622 -18.190   0.741
  488   2HG   LYS  63          1HG       LYS  63  -3.990 -18.331   2.384
  489   1HD   LYS  63          2HD       LYS  63  -6.422 -16.780   2.343
  490   2HD   LYS  63          1HD       LYS  63  -6.669 -18.358   1.594
  491   1HE   LYS  63          2HE       LYS  63  -5.107 -18.664   3.971
  492   2HE   LYS  63          1HE       LYS  63  -6.557 -17.732   4.340
  493    H    LYS  63           H        LYS  63  -2.658 -14.055   2.288
  494    HA   LYS  63           HA       LYS  63  -2.506 -16.924   2.944
  495   1HZ   LYS  63          3HZ       LYS  63  -7.878 -19.495   3.297
  496   2HZ   LYS  63          2HZ       LYS  63  -6.472 -20.398   3.035
  497   3HZ   LYS  63          1HZ       LYS  63  -6.983 -20.070   4.614
  498   1HB   PRO  64          2HB       PRO  64   1.287 -19.151   0.849
  499   2HB   PRO  64          1HB       PRO  64   2.521 -17.889   0.816
  500   1HG   PRO  64          2HG       PRO  64   1.503 -18.757   3.124
  501   2HG   PRO  64          1HG       PRO  64   1.910 -17.050   2.882
  502   1HD   PRO  64          1HD       PRO  64  -0.756 -18.375   2.931
  503   2HD   PRO  64          2HD       PRO  64  -0.292 -16.745   3.462
  504    HA   PRO  64           HA       PRO  64   1.041 -16.274   0.120
  505   1HA   GLY  65          2HA       GLY  65  -0.721 -17.963  -3.452
  506   2HA   GLY  65          1HA       GLY  65   0.390 -19.301  -3.196
  507    H    GLY  65           H        GLY  65   1.524 -17.087  -1.956
  508   1HB   PRO  66          2HB       PRO  66   0.892 -17.962  -8.886
  509   2HB   PRO  66          1HB       PRO  66   1.490 -19.441  -8.126
  510   1HG   PRO  66          2HG       PRO  66  -1.129 -18.041  -7.749
  511   2HG   PRO  66          1HG       PRO  66  -0.802 -19.775  -7.916
  512   1HD   PRO  66          1HD       PRO  66  -1.250 -18.602  -5.517
  513   2HD   PRO  66          2HD       PRO  66  -0.167 -19.996  -5.710
  514    HA   PRO  66           HA       PRO  66   2.599 -17.957  -6.770
  515   1HB   ASN  67          2HB       ASN  67   1.718 -14.717  -9.743
  516   2HB   ASN  67          1HB       ASN  67   0.613 -13.770  -8.751
  517   1HD2  ASN  67          1HD2      ASN  67   3.286 -13.680 -10.954
  518   2HD2  ASN  67          2HD2      ASN  67   3.243 -11.981 -11.259
  519    H    ASN  67           H        ASN  67   3.349 -16.087  -7.593
  520    HA   ASN  67           HA       ASN  67   3.524 -13.864  -8.044
  521   1HB   CYS  68          2HB       CYS  68  -0.409 -13.596  -4.863
  522   2HB   CYS  68          1HB       CYS  68   0.122 -14.654  -3.559
  523    H    CYS  68           H        CYS  68   2.431 -14.852  -5.397
  524    HA   CYS  68           HA       CYS  68   1.682 -12.212  -4.401
  525   1HA   GLY  69          2HA       GLY  69   4.213 -14.008  -1.275
  526   2HA   GLY  69          1HA       GLY  69   5.520 -13.256  -2.182
  527    H    GLY  69           H        GLY  69   4.146 -13.427  -4.167
  528   1HB   PHE  70          2HB       PHE  70   8.826 -16.019  -0.791
  529   2HB   PHE  70          1HB       PHE  70   9.169 -17.620  -1.437
  530    H    PHE  70           H        PHE  70   6.961 -14.844  -1.344
  531    HA   PHE  70           HA       PHE  70   7.180 -17.147  -3.038
  532    HD1  PHE  70           HD1      PHE  70   9.474 -17.760  -4.017
  533    HD2  PHE  70           HD2      PHE  70   9.817 -14.173  -1.751
  534    HE1  PHE  70           HE1      PHE  70  10.806 -16.750  -5.824
  535    HE2  PHE  70           HE2      PHE  70  11.148 -13.157  -3.554
  536    HZ   PHE  70           HZ       PHE  70  11.645 -14.446  -5.593
  537   1HA   GLY  71          1HA       GLY  71   5.431 -19.421   0.433
  538   2HA   GLY  71          2HA       GLY  71   3.938 -18.498   0.299
  539    H    GLY  71           H        GLY  71   5.354 -16.572  -0.358
  540   1HB   LYS  72          2HB       LYS  72   6.674 -14.590   2.801
  541   2HB   LYS  72          1HB       LYS  72   6.638 -14.673   4.558
  542   1HG   LYS  72          2HG       LYS  72   8.059 -16.710   2.869
  543   2HG   LYS  72          1HG       LYS  72   8.834 -15.233   3.446
  544   1HD   LYS  72          2HD       LYS  72   7.435 -17.087   5.342
  545   2HD   LYS  72          1HD       LYS  72   9.099 -17.387   4.838
  546   1HE   LYS  72          2HE       LYS  72   9.594 -16.102   6.620
  547   2HE   LYS  72          1HE       LYS  72   9.263 -14.780   5.501
  548    H    LYS  72           H        LYS  72   5.473 -16.135   1.467
  549    HA   LYS  72           HA       LYS  72   5.707 -17.048   4.244
  550   1HZ   LYS  72          1HZ       LYS  72   6.898 -15.770   6.783
  551   2HZ   LYS  72          3HZ       LYS  72   8.036 -15.184   7.891
  552   3HZ   LYS  72          2HZ       LYS  72   7.470 -14.183   6.651
  553    H    THR  73           H        THR  73   4.730 -15.786   5.950
  554    HA   THR  73           HA       THR  73   2.237 -14.478   5.078
  555    HB   THR  73           HB       THR  73   1.310 -15.135   7.302
  556    HG1  THR  73           HG1      THR  73   3.784 -16.534   7.450
  557   1HG2  THR  73          2HG2      THR  73   1.329 -16.549   5.037
  558   2HG2  THR  73          1HG2      THR  73   2.182 -17.690   6.076
  559   3HG2  THR  73          3HG2      THR  73   0.566 -17.139   6.513
  560   1HA   GLY  74          2HA       GLY  74   3.905 -11.227   7.521
  561   2HA   GLY  74          1HA       GLY  74   2.196 -10.807   7.491
  562    H    GLY  74           H        GLY  74   2.152 -12.366   5.444
  563   1HG1  ILE  75          1HG1      ILE  75   2.024  -5.516   5.622
  564   2HG1  ILE  75          2HG1      ILE  75   1.882  -6.381   7.149
  565    H    ILE  75           H        ILE  75   3.369  -8.626   7.357
  566    HA   ILE  75           HA       ILE  75   2.914  -7.502   4.849
  567    HB   ILE  75           HB       ILE  75   4.307  -6.561   7.311
  568   1HG2  ILE  75          2HG2      ILE  75   4.580  -5.327   4.594
  569   2HG2  ILE  75          1HG2      ILE  75   4.633  -4.338   6.053
  570   3HG2  ILE  75          3HG2      ILE  75   5.820  -5.619   5.814
  571   1HD1  ILE  75          3HD1      ILE  75   3.164  -4.474   8.194
  572   2HD1  ILE  75          2HD1      ILE  75   2.914  -3.606   6.679
  573   3HD1  ILE  75          1HD1      ILE  75   1.527  -4.116   7.642
  574   1HG1  ILE  76          1HG1      ILE  76   4.754 -10.154   2.857
  575   2HG1  ILE  76          2HG1      ILE  76   3.824 -10.087   1.364
  576    H    ILE  76           H        ILE  76   3.986  -7.770   3.023
  577    HA   ILE  76           HA       ILE  76   6.790  -8.583   3.088
  578    HB   ILE  76           HB       ILE  76   5.046  -8.357   0.645
  579   1HG2  ILE  76          3HG2      ILE  76   7.536  -8.547   0.414
  580   2HG2  ILE  76          2HG2      ILE  76   7.416 -10.139   1.164
  581   3HG2  ILE  76          1HG2      ILE  76   6.612  -9.825  -0.374
  582   1HD1  ILE  76          1HD1      ILE  76   6.441 -11.532   1.632
  583   2HD1  ILE  76          3HD1      ILE  76   4.865 -12.290   1.851
  584   3HD1  ILE  76          2HD1      ILE  76   5.303 -11.603   0.287
  585   1HB   ASP  77          2HB       ASP  77   6.727  -3.304   2.961
  586   2HB   ASP  77          1HB       ASP  77   7.312  -4.239   4.332
  587    H    ASP  77           H        ASP  77   7.748  -6.601   3.628
  588    HA   ASP  77           HA       ASP  77   7.758  -4.640   1.433
  589   1HB   TYR  78          2HB       TYR  78  11.559  -4.170  -0.751
  590   2HB   TYR  78          1HB       TYR  78  13.184  -4.485  -0.154
  591    H    TYR  78           H        TYR  78   9.718  -3.921   0.767
  592    HA   TYR  78           HA       TYR  78  12.065  -5.121   2.065
  593    HD1  TYR  78           HD1      TYR  78  13.656  -6.831   0.788
  594    HD2  TYR  78           HD2      TYR  78  10.267  -5.912  -1.612
  595    HE1  TYR  78           HE1      TYR  78  13.399  -9.217   0.249
  596    HE2  TYR  78           HE2      TYR  78   9.999  -8.295  -2.158
  597    HH   TYR  78           HH       TYR  78  12.384 -10.677  -1.206
  598   1HA   GLY  79          2HA       GLY  79  12.811  -1.052   3.515
  599   2HA   GLY  79          1HA       GLY  79  11.133  -0.532   3.615
  600    H    GLY  79           H        GLY  79  10.591  -2.599   2.797
  601   1HG1  ILE  80          1HG1      ILE  80  11.567   3.178   3.280
  602   2HG1  ILE  80          2HG1      ILE  80  12.387   4.730   3.419
  603    H    ILE  80           H        ILE  80  12.229   1.550   3.022
  604    HA   ILE  80           HA       ILE  80  11.546   2.407   0.522
  605    HB   ILE  80           HB       ILE  80  13.869   3.501   2.107
  606   1HG2  ILE  80          1HG2      ILE  80  12.076   4.733   0.023
  607   2HG2  ILE  80          3HG2      ILE  80  13.211   5.639   1.022
  608   3HG2  ILE  80          2HG2      ILE  80  13.808   4.421  -0.105
  609   1HD1  ILE  80          1HD1      ILE  80  10.971   5.587   1.583
  610   2HD1  ILE  80          3HD1      ILE  80  10.097   4.056   1.593
  611   3HD1  ILE  80          2HD1      ILE  80  10.061   5.102   3.013
  612   1HB   ARG  81          2HB       ARG  81  13.283   1.750  -4.188
  613   2HB   ARG  81          1HB       ARG  81  14.116   0.232  -3.877
  614   1HG   ARG  81          2HG       ARG  81  11.660   0.993  -2.342
  615   2HG   ARG  81          1HG       ARG  81  11.555   0.233  -3.931
  616   1HD   ARG  81          2HD       ARG  81  12.796  -0.873  -1.424
  617   2HD   ARG  81          1HD       ARG  81  11.424  -1.511  -2.328
  618   1HH1  ARG  81          1HH1      ARG  81  14.126  -1.668  -0.837
  619   2HH1  ARG  81          2HH1      ARG  81  15.535  -2.651  -1.057
  620   1HH2  ARG  81          1HH2      ARG  81  14.915  -3.292  -4.438
  621   2HH2  ARG  81          2HH2      ARG  81  15.984  -3.574  -3.105
  622    H    ARG  81           H        ARG  81  12.440   2.456  -1.478
  623    HA   ARG  81           HA       ARG  81  14.912   0.922  -1.850
  624    HE   ARG  81           HE       ARG  81  13.062  -1.995  -4.137
  625   1HB   LEU  82          2HB       LEU  82  17.552   3.751  -2.068
  626   2HB   LEU  82          1HB       LEU  82  17.594   4.766  -3.495
  627    H    LEU  82           H        LEU  82  14.739   3.787  -1.022
  628    HA   LEU  82           HA       LEU  82  15.774   5.769  -1.445
  629    HG   LEU  82           HG       LEU  82  19.353   5.347  -1.877
  630   1HD1  LEU  82          1HD1      LEU  82  17.206   7.387  -2.396
  631   2HD1  LEU  82          3HD1      LEU  82  18.768   7.797  -1.686
  632   3HD1  LEU  82          2HD1      LEU  82  18.690   7.106  -3.307
  633   1HD2  LEU  82          2HD2      LEU  82  17.009   5.886  -0.069
  634   2HD2  LEU  82          1HD2      LEU  82  18.369   4.796   0.206
  635   3HD2  LEU  82          3HD2      LEU  82  18.622   6.540   0.215
  636   1HB   ASN  83          2HB       ASN  83  15.047   5.228  -6.298
  637   2HB   ASN  83          1HB       ASN  83  13.652   4.152  -6.286
  638   1HD2  ASN  83          2HD2      ASN  83  12.402   4.198  -8.002
  639   2HD2  ASN  83          1HD2      ASN  83  12.294   5.484  -9.149
  640    H    ASN  83           H        ASN  83  13.594   4.737  -3.279
  641    HA   ASN  83           HA       ASN  83  13.667   6.940  -5.111
  642   1HB   ARG  84          2HB       ARG  84   8.262   7.699  -3.261
  643   2HB   ARG  84          1HB       ARG  84   9.855   7.719  -2.516
  644   1HG   ARG  84          2HG       ARG  84   9.499   9.244  -5.032
  645   2HG   ARG  84          1HG       ARG  84   8.752   9.884  -3.568
  646   1HD   ARG  84          2HD       ARG  84  10.714  10.693  -2.924
  647   2HD   ARG  84          1HD       ARG  84  11.378   9.061  -2.901
  648   1HH1  ARG  84          1HH1      ARG  84  11.753  12.024  -2.989
  649   2HH1  ARG  84          2HH1      ARG  84  12.832  13.051  -3.874
  650   1HH2  ARG  84          2HH2      ARG  84  13.238  10.822  -6.535
  651   2HH2  ARG  84          1HH2      ARG  84  13.674  12.369  -5.888
  652    H    ARG  84           H        ARG  84  11.721   7.606  -4.329
  653    HA   ARG  84           HA       ARG  84   9.508   5.784  -4.035
  654    HE   ARG  84           HE       ARG  84  11.818   9.476  -5.363
  655   1HB   SER  85          2HB       SER  85  11.047   6.501  -9.335
  656   2HB   SER  85          1HB       SER  85   9.800   7.540 -10.023
  657    H    SER  85           H        SER  85  10.633   6.021  -6.696
  658    HA   SER  85           HA       SER  85   8.370   7.227  -8.142
  659    HG   SER  85           HG       SER  85  10.236   9.057  -8.416
  660   1HB   GLU  86          2HB       GLU  86   8.012   1.929  -6.415
  661   2HB   GLU  86          1HB       GLU  86   8.824   0.865  -7.555
  662   1HG   GLU  86          2HG       GLU  86  10.501   3.084  -6.737
  663   2HG   GLU  86          1HG       GLU  86   9.956   2.108  -5.374
  664    H    GLU  86           H        GLU  86   9.192   4.370  -6.959
  665    HA   GLU  86           HA       GLU  86   9.112   2.590  -9.137
  666   1HB   ARG  87          2HB       ARG  87   5.458  -0.036 -11.189
  667   2HB   ARG  87          1HB       ARG  87   4.215   1.154 -11.539
  668   1HG   ARG  87          2HG       ARG  87   5.710   2.656 -12.433
  669   2HG   ARG  87          1HG       ARG  87   7.079   1.982 -11.547
  670   1HD   ARG  87          2HD       ARG  87   6.470  -0.146 -13.029
  671   2HD   ARG  87          1HD       ARG  87   5.848   1.111 -14.099
  672   1HH1  ARG  87          2HH1      ARG  87   6.538   0.208 -15.642
  673   2HH1  ARG  87          1HH1      ARG  87   7.794   0.239 -16.833
  674   1HH2  ARG  87          2HH2      ARG  87  10.195   1.597 -14.684
  675   2HH2  ARG  87          1HH2      ARG  87   9.875   1.029 -16.288
  676    H    ARG  87           H        ARG  87   7.311   0.992  -9.482
  677    HA   ARG  87           HA       ARG  87   4.762   2.445  -9.636
  678    HE   ARG  87           HE       ARG  87   8.532   1.553 -13.124
  679   1HB   TRP  88          2HB       TRP  88   3.979   1.253  -5.407
  680   2HB   TRP  88          1HB       TRP  88   2.965  -0.065  -4.840
  681    H    TRP  88           H        TRP  88   3.613   1.961  -7.871
  682    HA   TRP  88           HA       TRP  88   3.091  -0.879  -7.322
  683    HD1  TRP  88           HD1      TRP  88   6.431   0.829  -5.024
  684    HE1  TRP  88           HE1      TRP  88   7.967  -1.231  -4.863
  685    HE3  TRP  88           HE3      TRP  88   2.977  -2.817  -5.940
  686    HZ2  TRP  88           HZ2      TRP  88   7.731  -4.041  -5.081
  687    HZ3  TRP  88           HZ3      TRP  88   3.711  -5.165  -5.946
  688    HH2  TRP  88           HH2      TRP  88   6.040  -5.762  -5.529
  689   1HB   ASP  89          2HB       ASP  89  -0.518  -1.215  -4.407
  690   2HB   ASP  89          1HB       ASP  89  -1.976  -0.232  -4.293
  691    H    ASP  89           H        ASP  89   1.514  -0.116  -4.987
  692    HA   ASP  89           HA       ASP  89  -0.832   1.028  -6.350
  693    H    ALA  90           H        ALA  90  -2.204   1.123  -3.685
  694    HA   ALA  90           HA       ALA  90  -0.650   2.972  -2.118
  695   1HB   ALA  90          2HB       ALA  90  -1.244   4.598  -3.670
  696   2HB   ALA  90          3HB       ALA  90  -2.438   4.790  -2.386
  697   3HB   ALA  90          1HB       ALA  90  -2.871   3.948  -3.873
  698   1HB   TYR  91          2HB       TYR  91  -1.019   1.543   1.899
  699   2HB   TYR  91          1HB       TYR  91  -2.422   1.235   2.903
  700    H    TYR  91           H        TYR  91  -1.110   2.471  -0.104
  701    HA   TYR  91           HA       TYR  91  -3.623   1.202   0.557
  702    HD1  TYR  91           HD1      TYR  91  -3.971  -0.667   1.411
  703    HD2  TYR  91           HD2      TYR  91   0.255  -0.382   1.780
  704    HE1  TYR  91           HE1      TYR  91  -3.777  -3.069   0.934
  705    HE2  TYR  91           HE2      TYR  91   0.467  -2.783   1.300
  706    HH   TYR  91           HH       TYR  91  -1.835  -4.923   1.574
  707   1HB   CYS  92          2HB       CYS  92  -6.856   4.119   0.127
  708   2HB   CYS  92          1HB       CYS  92  -7.244   5.526   1.107
  709    H    CYS  92           H        CYS  92  -4.814   3.210   0.051
  710    HA   CYS  92           HA       CYS  92  -4.603   5.608   1.380
  711   1HB   TYR  93          2HB       TYR  93  -4.601   4.790   5.529
  712   2HB   TYR  93          1HB       TYR  93  -4.821   6.491   5.928
  713    H    TYR  93           H        TYR  93  -5.930   6.523   3.087
  714    HA   TYR  93           HA       TYR  93  -7.093   4.721   5.021
  715    HD1  TYR  93           HD1      TYR  93  -7.258   6.620   7.427
  716    HD2  TYR  93           HD2      TYR  93  -4.275   3.584   7.476
  717    HE1  TYR  93           HE1      TYR  93  -7.935   6.002   9.709
  718    HE2  TYR  93           HE2      TYR  93  -4.943   2.959   9.758
  719    HH   TYR  93           HH       TYR  93  -6.391   3.294  11.412
  720   1HB   ASN  94          2HB       ASN  94  -9.040   8.906   4.240
  721   2HB   ASN  94          1HB       ASN  94 -10.279   7.693   3.933
  722   1HD2  ASN  94          1HD2      ASN  94 -11.234   9.682   2.939
  723   2HD2  ASN  94          2HD2      ASN  94 -12.244  10.653   3.952
  724    H    ASN  94           H        ASN  94  -8.891   5.661   5.663
  725    HA   ASN  94           HA       ASN  94  -8.983   8.355   6.581
  726   1HB   PRO  95          2HB       PRO  95 -12.570   7.809  10.653
  727   2HB   PRO  95          1HB       PRO  95 -11.207   6.688  10.707
  728   1HG   PRO  95          2HG       PRO  95 -11.285   9.540   9.805
  729   2HG   PRO  95          1HG       PRO  95 -10.069   8.713  10.793
  730   1HD   PRO  95          2HD       PRO  95  -9.700   9.198   8.166
  731   2HD   PRO  95          1HD       PRO  95  -9.052   7.748   8.958
  732    HA   PRO  95           HA       PRO  95 -12.091   5.927   8.734
  733   1HB   HIS  96          2HB       HIS  96 -13.449  10.757   7.105
  734   2HB   HIS  96          1HB       HIS  96 -14.772  10.970   5.965
  735    H    HIS  96           H        HIS  96 -12.428   8.433   6.687
  736    HA   HIS  96           HA       HIS  96 -15.336   8.519   7.067
  737    HD1  HIS  96           HD1      HIS  96 -14.208  12.396   8.865
  738    HD2  HIS  96           HD2      HIS  96 -17.140   9.625   7.868
  739    HE1  HIS  96           HE1      HIS  96 -16.042  12.719  10.556
  740    HE2  HIS  96           HE2      HIS  96 -17.767  10.974   9.983
  741    H    ALA  97           H        ALA  97 -13.004   7.444   5.178
  742    HA   ALA  97           HA       ALA  97 -13.906   8.405   2.606
  743   1HB   ALA  97          2HB       ALA  97 -11.650   6.884   3.621
  744   2HB   ALA  97          3HB       ALA  97 -11.780   7.886   2.175
  745   3HB   ALA  97          1HB       ALA  97 -12.303   6.202   2.131
  746   1HB   LYS  98          2HB       LYS  98 -16.142   4.701   4.768
  747   2HB   LYS  98          1HB       LYS  98 -17.874   5.002   4.844
  748   1HG   LYS  98          2HG       LYS  98 -18.396   3.108   3.648
  749   2HG   LYS  98          1HG       LYS  98 -16.817   3.041   2.863
  750   1HD   LYS  98          2HD       LYS  98 -16.698   1.292   4.379
  751   2HD   LYS  98          1HD       LYS  98 -15.918   2.611   5.255
  752   1HE   LYS  98          2HE       LYS  98 -17.384   1.600   6.798
  753   2HE   LYS  98          1HE       LYS  98 -18.182   3.087   6.282
  754    H    LYS  98           H        LYS  98 -16.103   7.437   3.757
  755    HA   LYS  98           HA       LYS  98 -16.686   5.081   2.139
  756   1HZ   LYS  98          2HZ       LYS  98 -18.999   1.108   4.527
  757   2HZ   LYS  98          1HZ       LYS  98 -19.092   0.420   6.069
  758   3HZ   LYS  98          3HZ       LYS  98 -19.921   1.856   5.732

  No H/Q in entry =         758
  Start of MODEL   20
    1   1HA   GLY   1          2HA       GLY   1  -9.879   1.670   8.267
    2   2HA   GLY   1          1HA       GLY   1  -9.976   3.424   8.326
    3    H1   GLY   1          2H        GLY   1 -11.645   2.844   6.304
    4    H2   GLY   1          1H        GLY   1 -11.882   1.509   7.316
    5    H3   GLY   1          3H        GLY   1 -12.128   3.075   7.909
    6    H    VAL   2           H        VAL   2  -7.909   1.360   7.388
    7    HA   VAL   2           HA       VAL   2  -7.034   2.911   5.105
    8    HB   VAL   2           HB       VAL   2  -5.250   2.456   6.522
    9   1HG1  VAL   2          3HG1      VAL   2  -6.777   0.178   7.242
   10   2HG1  VAL   2          2HG1      VAL   2  -5.157  -0.367   6.809
   11   3HG1  VAL   2          1HG1      VAL   2  -5.370   0.862   8.059
   12   1HG2  VAL   2          2HG2      VAL   2  -5.137   1.519   3.989
   13   2HG2  VAL   2          1HG2      VAL   2  -3.759   1.556   5.088
   14   3HG2  VAL   2          3HG2      VAL   2  -4.688   0.070   4.889
   15   1HB   TYR   3          2HB       TYR   3  -9.227   0.487   0.464
   16   2HB   TYR   3          1HB       TYR   3  -9.942   0.541   2.066
   17    H    TYR   3           H        TYR   3  -7.302   2.363   3.047
   18    HA   TYR   3           HA       TYR   3  -7.857  -0.454   2.416
   19    HD1  TYR   3           HD1      TYR   3  -8.850   2.916   3.291
   20    HD2  TYR   3           HD2      TYR   3  -9.973   2.279  -0.761
   21    HE1  TYR   3           HE1      TYR   3  -9.247   5.327   3.030
   22    HE2  TYR   3           HE2      TYR   3 -10.365   4.689  -1.037
   23    HH   TYR   3           HH       TYR   3  -9.651   6.979   1.560
   24   1HB   HIS   4          2HB       HIS   4  -4.652  -2.042   0.102
   25   2HB   HIS   4          1HB       HIS   4  -5.722  -2.539  -1.195
   26    H    HIS   4           H        HIS   4  -7.268  -1.122   0.284
   27    HA   HIS   4           HA       HIS   4  -4.889   0.310  -0.661
   28    HD1  HIS   4           HD1      HIS   4  -2.237  -1.441  -0.515
   29    HD2  HIS   4           HD2      HIS   4  -4.592  -2.456  -3.782
   30    HE1  HIS   4           HE1      HIS   4  -0.637  -1.757  -2.426
   31    HE2  HIS   4           HE2      HIS   4  -2.076  -2.460  -4.369
   32   1HB   ARG   5          2HB       ARG   5  -6.893   3.336  -2.957
   33   2HB   ARG   5          1HB       ARG   5  -7.026   3.479  -4.703
   34   1HG   ARG   5          2HG       ARG   5  -9.015   1.679  -3.625
   35   2HG   ARG   5          1HG       ARG   5  -9.105   3.283  -2.893
   36   1HD   ARG   5          2HD       ARG   5  -8.681   3.632  -5.660
   37   2HD   ARG   5          1HD       ARG   5  -9.967   2.438  -5.477
   38   1HH1  ARG   5          2HH1      ARG   5 -10.253   3.988  -7.176
   39   2HH1  ARG   5          1HH1      ARG   5 -11.397   5.219  -7.599
   40   1HH2  ARG   5          1HH2      ARG   5 -12.039   6.166  -4.295
   41   2HH2  ARG   5          2HH2      ARG   5 -12.412   6.457  -5.962
   42    H    ARG   5           H        ARG   5  -5.446   1.705  -2.220
   43    HA   ARG   5           HA       ARG   5  -7.231   0.775  -4.360
   44    HE   ARG   5           HE       ARG   5 -10.532   4.544  -3.748
   45   1HB   GLU   6          2HB       GLU   6  -4.200   0.712  -9.078
   46   2HB   GLU   6          1HB       GLU   6  -5.371  -0.084  -8.037
   47   1HG   GLU   6          2HG       GLU   6  -6.259   2.338  -9.490
   48   2HG   GLU   6          1HG       GLU   6  -6.003   0.865 -10.425
   49    H    GLU   6           H        GLU   6  -6.744   1.706  -6.533
   50    HA   GLU   6           HA       GLU   6  -3.838   1.697  -6.990
   51    H    ALA   7           H        ALA   7  -3.765   2.683  -9.539
   52    HA   ALA   7           HA       ALA   7  -4.305   5.512  -9.054
   53   1HB   ALA   7          1HB       ALA   7  -2.418   5.905 -10.169
   54   2HB   ALA   7          3HB       ALA   7  -2.151   4.162 -10.165
   55   3HB   ALA   7          2HB       ALA   7  -2.944   4.929 -11.541
   56   1HB   ARG   8          2HB       ARG   8  -6.314   8.396 -11.728
   57   2HB   ARG   8          1HB       ARG   8  -7.391   8.114 -13.088
   58   1HG   ARG   8          2HG       ARG   8  -8.817   7.235 -10.872
   59   2HG   ARG   8          1HG       ARG   8  -8.013   8.711 -10.339
   60   1HD   ARG   8          2HD       ARG   8  -9.032  10.005 -12.006
   61   2HD   ARG   8          1HD       ARG   8  -9.499   8.586 -12.940
   62   1HH1  ARG   8          2HH1      ARG   8 -10.624   7.193 -13.042
   63   2HH1  ARG   8          1HH1      ARG   8 -12.231   6.602 -12.778
   64   1HH2  ARG   8          1HH2      ARG   8 -12.948   8.858 -10.205
   65   2HH2  ARG   8          2HH2      ARG   8 -13.553   7.549 -11.165
   66    H    ARG   8           H        ARG   8  -5.304   6.852 -10.643
   67    HA   ARG   8           HA       ARG   8  -7.645   5.761 -11.763
   68    HE   ARG   8           HE       ARG   8 -10.831   9.629 -10.561
   69   1HB   SER   9          2HB       SER   9  -3.185   7.059 -14.886
   70   2HB   SER   9          1HB       SER   9  -2.407   5.494 -14.655
   71    H    SER   9           H        SER   9  -4.435   6.007 -12.951
   72    HA   SER   9           HA       SER   9  -5.211   5.721 -15.736
   73    HG   SER   9           HG       SER   9  -2.795   5.089 -16.892
   74   1HA   GLY  10          2HA       GLY  10  -3.728   1.440 -14.669
   75   2HA   GLY  10          1HA       GLY  10  -5.335   1.345 -13.965
   76    H    GLY  10           H        GLY  10  -4.562   3.723 -13.061
   77   1HB   LYS  11          2HB       LYS  11  -5.207  -1.519 -10.753
   78   2HB   LYS  11          1HB       LYS  11  -3.970  -2.649 -11.292
   79   1HG   LYS  11          2HG       LYS  11  -2.857  -2.260  -9.039
   80   2HG   LYS  11          1HG       LYS  11  -4.369  -1.490  -8.555
   81   1HD   LYS  11          2HD       LYS  11  -5.077  -3.531  -7.995
   82   2HD   LYS  11          1HD       LYS  11  -5.189  -3.854  -9.726
   83   1HE   LYS  11          2HE       LYS  11  -2.587  -4.221  -8.303
   84   2HE   LYS  11          1HE       LYS  11  -3.834  -5.461  -8.189
   85    H    LYS  11           H        LYS  11  -4.266  -0.606 -12.985
   86    HA   LYS  11           HA       LYS  11  -3.293   0.127 -10.335
   87   1HZ   LYS  11          3HZ       LYS  11  -3.259  -4.502 -10.865
   88   2HZ   LYS  11          2HZ       LYS  11  -2.014  -5.374 -10.125
   89   3HZ   LYS  11          1HZ       LYS  11  -3.539  -6.078 -10.314
   90   1HB   TYR  12          2HB       TYR  12  -0.540  -3.276 -11.099
   91   2HB   TYR  12          1HB       TYR  12   1.180  -3.115 -11.432
   92    H    TYR  12           H        TYR  12  -1.402  -0.696  -9.423
   93    HA   TYR  12           HA       TYR  12   0.789  -1.311  -9.382
   94    HD1  TYR  12           HD1      TYR  12   0.328  -2.348  -8.043
   95    HD2  TYR  12           HD2      TYR  12   1.183  -5.556 -10.701
   96    HE1  TYR  12           HE1      TYR  12   0.841  -3.797  -6.121
   97    HE2  TYR  12           HE2      TYR  12   1.694  -7.014  -8.788
   98    HH   TYR  12           HH       TYR  12   0.985  -7.057  -6.266
   99   1HB   LYS  13          2HB       LYS  13   1.559   2.253 -14.177
  100   2HB   LYS  13          1HB       LYS  13   1.208   0.540 -13.980
  101   1HG   LYS  13          2HG       LYS  13  -0.944   1.042 -13.945
  102   2HG   LYS  13          1HG       LYS  13  -0.684   1.889 -12.419
  103   1HD   LYS  13          2HD       LYS  13  -1.643   3.538 -13.722
  104   2HD   LYS  13          1HD       LYS  13   0.080   3.852 -13.948
  105   1HE   LYS  13          2HE       LYS  13  -0.650   1.964 -15.900
  106   2HE   LYS  13          1HE       LYS  13  -1.915   3.192 -15.898
  107    H    LYS  13           H        LYS  13   0.618   1.053 -10.483
  108    HA   LYS  13           HA       LYS  13   2.797   1.147 -12.301
  109   1HZ   LYS  13          1HZ       LYS  13   0.884   4.064 -15.877
  110   2HZ   LYS  13          3HZ       LYS  13   0.230   3.488 -17.328
  111   3HZ   LYS  13          2HZ       LYS  13  -0.473   4.816 -16.551
  112   1HB   LEU  14          2HB       LEU  14   0.299   5.703  -8.565
  113   2HB   LEU  14          1HB       LEU  14  -0.595   4.594  -9.578
  114    H    LEU  14           H        LEU  14   1.150   2.406  -9.871
  115    HA   LEU  14           HA       LEU  14   1.530   5.213 -10.587
  116    HG   LEU  14           HG       LEU  14   0.615   2.818  -7.985
  117   1HD1  LEU  14          3HD1      LEU  14   0.850   5.414  -6.641
  118   2HD1  LEU  14          2HD1      LEU  14   0.159   4.123  -5.657
  119   3HD1  LEU  14          1HD1      LEU  14   1.749   3.917  -6.392
  120   1HD2  LEU  14          2HD2      LEU  14  -1.939   3.775  -8.353
  121   2HD2  LEU  14          1HD2      LEU  14  -1.485   2.386  -7.367
  122   3HD2  LEU  14          3HD2      LEU  14  -1.680   3.973  -6.620
  123    H    THR  15           H        THR  15   2.400   6.602  -8.723
  124    HA   THR  15           HA       THR  15   4.777   5.265  -7.598
  125    HB   THR  15           HB       THR  15   6.056   7.235  -7.895
  126    HG1  THR  15           HG1      THR  15   3.593   8.438  -7.916
  127   1HG2  THR  15          2HG2      THR  15   4.676   6.061 -10.116
  128   2HG2  THR  15          1HG2      THR  15   4.975   7.769 -10.444
  129   3HG2  THR  15          3HG2      THR  15   6.318   6.700 -10.042
  130   1HB   TYR  16          2HB       TYR  16   6.362   7.347  -3.537
  131   2HB   TYR  16          1HB       TYR  16   6.371   8.956  -4.253
  132    H    TYR  16           H        TYR  16   5.577   7.598  -6.125
  133    HA   TYR  16           HA       TYR  16   3.934   7.222  -3.784
  134    HD1  TYR  16           HD1      TYR  16   4.997   7.058  -1.354
  135    HD2  TYR  16           HD2      TYR  16   6.224  10.832  -2.886
  136    HE1  TYR  16           HE1      TYR  16   4.732   8.044   0.881
  137    HE2  TYR  16           HE2      TYR  16   5.957  11.831  -0.655
  138    HH   TYR  16           HH       TYR  16   5.578  11.427   1.510
  139    H    ALA  17           H        ALA  17   4.916   9.980  -5.804
  140    HA   ALA  17           HA       ALA  17   3.243  11.877  -4.560
  141   1HB   ALA  17          2HB       ALA  17   5.159  12.460  -6.010
  142   2HB   ALA  17          1HB       ALA  17   4.249  11.878  -7.405
  143   3HB   ALA  17          3HB       ALA  17   3.670  13.273  -6.494
  144   1HB   GLU  18          2HB       GLU  18   1.673   7.922  -8.333
  145   2HB   GLU  18          1HB       GLU  18   0.033   8.148  -8.924
  146   1HG   GLU  18          2HG       GLU  18   0.675   9.712 -10.497
  147   2HG   GLU  18          1HG       GLU  18   2.160  10.116  -9.636
  148    H    GLU  18           H        GLU  18   2.739   9.500  -7.055
  149    HA   GLU  18           HA       GLU  18   0.210  10.525  -7.940
  150    H    ALA  19           H        ALA  19   1.132   7.608  -6.132
  151    HA   ALA  19           HA       ALA  19  -1.324   6.695  -5.356
  152   1HB   ALA  19          2HB       ALA  19   0.070   5.223  -4.443
  153   2HB   ALA  19          3HB       ALA  19   0.270   6.344  -3.095
  154   3HB   ALA  19          1HB       ALA  19   1.394   6.389  -4.455
  155   1HB   LYS  20          2HB       LYS  20   1.355  10.453  -2.035
  156   2HB   LYS  20          1HB       LYS  20   0.578  11.786  -2.870
  157   1HG   LYS  20          2HG       LYS  20   0.072  12.820  -0.964
  158   2HG   LYS  20          1HG       LYS  20  -0.529  11.336  -0.222
  159   1HD   LYS  20          2HD       LYS  20   1.269  11.475   1.103
  160   2HD   LYS  20          1HD       LYS  20   2.178  10.907  -0.298
  161   1HE   LYS  20          2HE       LYS  20   1.629  13.823   0.003
  162   2HE   LYS  20          1HE       LYS  20   2.900  13.082   0.972
  163    H    LYS  20           H        LYS  20   0.621   9.177  -3.748
  164    HA   LYS  20           HA       LYS  20  -1.040   9.626  -1.559
  165   1HZ   LYS  20          2HZ       LYS  20   3.586  12.123  -1.357
  166   2HZ   LYS  20          1HZ       LYS  20   2.772  13.494  -1.921
  167   3HZ   LYS  20          3HZ       LYS  20   4.082  13.664  -0.862
  168    H    ALA  21           H        ALA  21  -0.868  11.272  -4.690
  169    HA   ALA  21           HA       ALA  21  -2.877  13.164  -4.234
  170   1HB   ALA  21          2HB       ALA  21  -2.649  13.726  -6.427
  171   2HB   ALA  21          1HB       ALA  21  -1.176  12.774  -6.242
  172   3HB   ALA  21          3HB       ALA  21  -2.610  12.048  -6.969
  173    H    VAL  22           H        VAL  22  -3.063   9.881  -5.548
  174    HA   VAL  22           HA       VAL  22  -5.748   9.824  -6.258
  175    HB   VAL  22           HB       VAL  22  -3.715   7.804  -5.531
  176   1HG1  VAL  22          3HG1      VAL  22  -6.656   7.160  -5.469
  177   2HG1  VAL  22          2HG1      VAL  22  -5.349   5.976  -5.470
  178   3HG1  VAL  22          1HG1      VAL  22  -5.536   7.082  -4.110
  179   1HG2  VAL  22          3HG2      VAL  22  -4.095   8.520  -7.834
  180   2HG2  VAL  22          2HG2      VAL  22  -4.452   6.804  -7.629
  181   3HG2  VAL  22          1HG2      VAL  22  -5.768   7.974  -7.732
  182   1HB   CYS  23          2HB       CYS  23  -3.747   9.249  -1.052
  183   2HB   CYS  23          1HB       CYS  23  -4.937   9.477   0.224
  184    H    CYS  23           H        CYS  23  -4.190   9.346  -3.144
  185    HA   CYS  23           HA       CYS  23  -6.562   8.608  -1.738
  186   1HB   GLU  24          2HB       GLU  24  -3.837  13.463  -1.536
  187   2HB   GLU  24          1HB       GLU  24  -4.925  14.795  -1.900
  188   1HG   GLU  24          2HG       GLU  24  -5.178  15.193   0.528
  189   2HG   GLU  24          1HG       GLU  24  -3.984  13.930   0.825
  190    H    GLU  24           H        GLU  24  -4.538  11.528  -1.578
  191    HA   GLU  24           HA       GLU  24  -6.244  13.088  -0.047
  192   1HB   PHE  25          2HB       PHE  25  -7.211  12.656  -5.700
  193   2HB   PHE  25          1HB       PHE  25  -8.121  11.280  -5.085
  194    H    PHE  25           H        PHE  25  -6.807  11.913  -3.126
  195    HA   PHE  25           HA       PHE  25  -8.337  14.141  -4.121
  196    HD1  PHE  25           HD1      PHE  25 -10.456  10.977  -5.645
  197    HD2  PHE  25           HD2      PHE  25  -8.246  14.290  -7.147
  198    HE1  PHE  25           HE1      PHE  25 -12.225  11.401  -7.301
  199    HE2  PHE  25           HE2      PHE  25 -10.012  14.720  -8.805
  200    HZ   PHE  25           HZ       PHE  25 -12.003  13.274  -8.884
  201   1HB   GLU  26          2HB       GLU  26  -9.949   9.257  -2.042
  202   2HB   GLU  26          1HB       GLU  26 -11.305   9.318  -0.932
  203   1HG   GLU  26          2HG       GLU  26 -12.601   9.510  -3.279
  204   2HG   GLU  26          1HG       GLU  26 -11.197   8.568  -3.776
  205    H    GLU  26           H        GLU  26  -8.956  11.028  -2.603
  206    HA   GLU  26           HA       GLU  26 -11.810  11.354  -2.729
  207   1HA   GLY  27          1HA       GLY  27 -11.365  13.200   1.324
  208   2HA   GLY  27          2HA       GLY  27  -9.957  14.176   0.925
  209    H    GLY  27           H        GLY  27  -9.404  12.580  -0.784
  210   1HA   GLY  28          2HA       GLY  28  -8.010   9.912   2.642
  211   2HA   GLY  28          1HA       GLY  28  -7.869  11.358   3.633
  212    H    GLY  28           H        GLY  28  -8.371  11.588   0.736
  213   1HB   HIS  29          2HB       HIS  29  -2.230  10.879   3.569
  214   2HB   HIS  29          1HB       HIS  29  -3.477  12.100   3.340
  215    H    HIS  29           H        HIS  29  -5.833   9.505   3.498
  216    HA   HIS  29           HA       HIS  29  -3.850  10.522   1.626
  217    HD1  HIS  29           HD1      HIS  29  -4.634  12.754   5.417
  218    HD2  HIS  29           HD2      HIS  29  -3.136   8.885   5.641
  219    HE1  HIS  29           HE1      HIS  29  -5.158  11.964   7.747
  220    HE2  HIS  29           HE2      HIS  29  -4.324   9.588   7.828
  221   1HB   LEU  30          2HB       LEU  30   0.424   8.182   2.251
  222   2HB   LEU  30          1HB       LEU  30   0.383   6.464   1.922
  223    H    LEU  30           H        LEU  30  -1.673   9.375   2.054
  224    HA   LEU  30           HA       LEU  30  -2.114   6.594   1.866
  225    HG   LEU  30           HG       LEU  30  -0.537   8.675   0.089
  226   1HD1  LEU  30          1HD1      LEU  30   1.944   8.157   0.364
  227   2HD1  LEU  30          3HD1      LEU  30   1.589   6.616  -0.415
  228   3HD1  LEU  30          2HD1      LEU  30   1.290   8.127  -1.273
  229   1HD2  LEU  30          3HD2      LEU  30  -0.745   5.686  -0.208
  230   2HD2  LEU  30          2HD2      LEU  30  -2.064   6.856  -0.182
  231   3HD2  LEU  30          1HD2      LEU  30  -0.935   6.829  -1.537
  232    H    ALA  31           H        ALA  31  -2.285   5.101   3.408
  233    HA   ALA  31           HA       ALA  31  -2.349   5.708   6.134
  234   1HB   ALA  31          3HB       ALA  31  -2.396   3.225   4.534
  235   2HB   ALA  31          2HB       ALA  31  -1.976   3.069   6.241
  236   3HB   ALA  31          1HB       ALA  31  -3.512   3.802   5.772
  237    H    THR  32           H        THR  32  -0.962   3.772   7.469
  238    HA   THR  32           HA       THR  32   1.865   4.377   6.920
  239    HB   THR  32           HB       THR  32   2.268   5.232   8.957
  240    HG1  THR  32           HG1      THR  32   0.638   4.309  10.741
  241   1HG2  THR  32          1HG2      THR  32  -0.646   5.587   8.515
  242   2HG2  THR  32          3HG2      THR  32   0.007   6.056  10.085
  243   3HG2  THR  32          2HG2      THR  32   0.638   6.793   8.611
  244   1HB   TYR  33          2HB       TYR  33   5.094   1.441   8.098
  245   2HB   TYR  33          1HB       TYR  33   4.709   1.053   9.769
  246    H    TYR  33           H        TYR  33   3.353   2.907   8.160
  247    HA   TYR  33           HA       TYR  33   2.878   0.244   7.523
  248    HD1  TYR  33           HD1      TYR  33   5.445  -0.415   6.457
  249    HD2  TYR  33           HD2      TYR  33   5.039  -1.131  10.632
  250    HE1  TYR  33           HE1      TYR  33   6.436  -2.646   6.165
  251    HE2  TYR  33           HE2      TYR  33   6.032  -3.363  10.351
  252    HH   TYR  33           HH       TYR  33   6.189  -5.059   8.272
  253   1HB   LYS  34          2HB       LYS  34   1.760   2.515  12.541
  254   2HB   LYS  34          1HB       LYS  34   0.718   1.532  13.556
  255   1HG   LYS  34          2HG       LYS  34   2.849   0.258  14.184
  256   2HG   LYS  34          1HG       LYS  34   3.709   1.625  13.476
  257   1HD   LYS  34          2HD       LYS  34   1.711   2.688  15.165
  258   2HD   LYS  34          1HD       LYS  34   2.514   1.398  16.061
  259   1HE   LYS  34          2HE       LYS  34   4.693   2.525  15.173
  260   2HE   LYS  34          1HE       LYS  34   3.648   3.928  14.951
  261    H    LYS  34           H        LYS  34   2.778   1.775  10.734
  262    HA   LYS  34           HA       LYS  34   1.977  -0.427  12.212
  263   1HZ   LYS  34          1HZ       LYS  34   3.014   3.196  17.438
  264   2HZ   LYS  34          3HZ       LYS  34   4.639   2.729  17.394
  265   3HZ   LYS  34          2HZ       LYS  34   4.211   4.333  17.070
  266   1HB   GLN  35          2HB       GLN  35  -1.777   2.462   8.808
  267   2HB   GLN  35          1HB       GLN  35  -3.409   2.225   9.411
  268   1HG   GLN  35          2HG       GLN  35  -2.841   3.482  11.433
  269   2HG   GLN  35          1HG       GLN  35  -1.214   3.736  10.805
  270   1HE2  GLN  35          1HE2      GLN  35  -3.322   5.652  11.518
  271   2HE2  GLN  35          2HE2      GLN  35  -3.582   6.609  10.104
  272    H    GLN  35           H        GLN  35  -0.038   1.998  10.569
  273    HA   GLN  35           HA       GLN  35  -2.522   0.946  11.318
  274   1HB   LEU  36          2HB       LEU  36   0.690  -0.780   7.152
  275   2HB   LEU  36          1HB       LEU  36   0.535  -2.511   6.930
  276    H    LEU  36           H        LEU  36  -0.305   0.127   8.729
  277    HA   LEU  36           HA       LEU  36  -2.086  -1.535   7.273
  278    HG   LEU  36           HG       LEU  36   0.538  -1.383   4.782
  279   1HD1  LEU  36          3HD1      LEU  36  -1.536  -3.100   5.725
  280   2HD1  LEU  36          2HD1      LEU  36  -2.201  -2.001   4.516
  281   3HD1  LEU  36          1HD1      LEU  36  -0.811  -3.012   4.120
  282   1HD2  LEU  36          3HD2      LEU  36  -0.949   0.570   6.127
  283   2HD2  LEU  36          2HD2      LEU  36  -0.463   0.565   4.431
  284   3HD2  LEU  36          1HD2      LEU  36  -2.027  -0.099   4.902
  285   1HB   GLU  37          2HB       GLU  37   1.422  -3.361  11.559
  286   2HB   GLU  37          1HB       GLU  37   0.019  -2.771  12.431
  287   1HG   GLU  37          2HG       GLU  37   0.843  -4.365  13.864
  288   2HG   GLU  37          1HG       GLU  37  -0.393  -5.259  12.979
  289    H    GLU  37           H        GLU  37  -0.115  -1.956  10.089
  290    HA   GLU  37           HA       GLU  37  -0.018  -4.777  10.168
  291    H    ALA  38           H        ALA  38  -2.051  -2.509  11.988
  292    HA   ALA  38           HA       ALA  38  -3.782  -4.369  13.129
  293   1HB   ALA  38          2HB       ALA  38  -3.649  -1.959  13.739
  294   2HB   ALA  38          3HB       ALA  38  -5.299  -2.539  13.512
  295   3HB   ALA  38          1HB       ALA  38  -4.522  -1.577  12.255
  296    H    ALA  39           H        ALA  39  -3.701  -2.968   9.941
  297    HA   ALA  39           HA       ALA  39  -6.287  -3.745   9.090
  298   1HB   ALA  39          1HB       ALA  39  -3.821  -3.377   7.388
  299   2HB   ALA  39          2HB       ALA  39  -4.874  -2.067   7.924
  300   3HB   ALA  39          3HB       ALA  39  -5.499  -3.319   6.849
  301   1HB   ARG  40          2HB       ARG  40  -1.667  -6.830   7.857
  302   2HB   ARG  40          1HB       ARG  40  -1.596  -7.379   9.526
  303   1HG   ARG  40          2HG       ARG  40  -1.936  -9.654   8.857
  304   2HG   ARG  40          1HG       ARG  40  -2.228  -9.166   7.188
  305   1HD   ARG  40          2HD       ARG  40   0.012 -10.028   7.388
  306   2HD   ARG  40          1HD       ARG  40   0.078  -8.295   7.071
  307   1HH1  ARG  40          2HH1      ARG  40  -0.146 -11.246   8.860
  308   2HH1  ARG  40          1HH1      ARG  40   0.622 -11.783  10.317
  309   1HH2  ARG  40          2HH2      ARG  40   2.000  -8.662  11.084
  310   2HH2  ARG  40          1HH2      ARG  40   1.841 -10.315  11.581
  311    H    ARG  40           H        ARG  40  -3.183  -5.332   9.262
  312    HA   ARG  40           HA       ARG  40  -4.054  -7.666   7.790
  313    HE   ARG  40           HE       ARG  40   0.984  -7.966   9.164
  314   1HB   LYS  41          2HB       LYS  41  -4.704  -6.187  13.055
  315   2HB   LYS  41          1HB       LYS  41  -5.197  -7.450  14.172
  316   1HG   LYS  41          2HG       LYS  41  -2.688  -8.100  14.152
  317   2HG   LYS  41          1HG       LYS  41  -2.455  -6.469  13.520
  318   1HD   LYS  41          2HD       LYS  41  -2.768  -5.555  15.529
  319   2HD   LYS  41          1HD       LYS  41  -4.248  -6.482  15.791
  320   1HE   LYS  41          2HE       LYS  41  -1.421  -7.399  16.296
  321   2HE   LYS  41          1HE       LYS  41  -2.647  -7.026  17.509
  322    H    LYS  41           H        LYS  41  -3.658  -6.641  11.108
  323    HA   LYS  41           HA       LYS  41  -3.882  -9.005  12.491
  324   1HZ   LYS  41          1HZ       LYS  41  -3.989  -8.855  16.364
  325   2HZ   LYS  41          3HZ       LYS  41  -2.521  -9.327  15.667
  326   3HZ   LYS  41          2HZ       LYS  41  -2.697  -9.324  17.349
  327   1HG1  ILE  42          1HG1      ILE  42  -8.056  -5.559   9.523
  328   2HG1  ILE  42          2HG1      ILE  42  -7.933  -7.161   8.802
  329    H    ILE  42           H        ILE  42  -6.327  -7.200  10.781
  330    HA   ILE  42           HA       ILE  42  -8.480  -8.848  11.841
  331    HB   ILE  42           HB       ILE  42  -9.996  -7.433  10.636
  332   1HG2  ILE  42          2HG2      ILE  42  -8.936  -6.605  12.756
  333   2HG2  ILE  42          1HG2      ILE  42  -7.861  -5.631  11.752
  334   3HG2  ILE  42          3HG2      ILE  42  -9.602  -5.352  11.708
  335   1HD1  ILE  42          2HD1      ILE  42 -10.677  -6.246   9.031
  336   2HD1  ILE  42          1HD1      ILE  42  -9.670  -5.177   8.054
  337   3HD1  ILE  42          3HD1      ILE  42  -9.804  -6.886   7.640
  338   1HA   GLY  43          1HA       GLY  43  -8.154 -10.610   7.658
  339   2HA   GLY  43          2HA       GLY  43  -6.398 -10.676   7.726
  340    H    GLY  43           H        GLY  43  -6.588  -8.445   8.917
  341   1HB   PHE  44          2HB       PHE  44  -6.238  -5.715   6.251
  342   2HB   PHE  44          1HB       PHE  44  -4.589  -6.095   5.769
  343    H    PHE  44           H        PHE  44  -5.647  -8.145   7.057
  344    HA   PHE  44           HA       PHE  44  -7.002  -7.455   4.567
  345    HD1  PHE  44           HD1      PHE  44  -6.856  -6.405   3.057
  346    HD2  PHE  44           HD2      PHE  44  -4.619  -3.567   5.308
  347    HE1  PHE  44           HE1      PHE  44  -7.028  -4.799   1.201
  348    HE2  PHE  44           HE2      PHE  44  -4.787  -1.960   3.455
  349    HZ   PHE  44           HZ       PHE  44  -5.995  -2.573   1.399
  350   1HB   HIS  45          2HB       HIS  45  -4.859 -11.738   3.241
  351   2HB   HIS  45          1HB       HIS  45  -6.033 -11.305   2.003
  352    H    HIS  45           H        HIS  45  -6.417  -9.338   3.376
  353    HA   HIS  45           HA       HIS  45  -3.580  -9.731   2.811
  354    HD1  HIS  45           HD1      HIS  45  -5.714 -13.197   0.396
  355    HD2  HIS  45           HD2      HIS  45  -2.128 -11.376   1.436
  356    HE1  HIS  45           HE1      HIS  45  -3.979 -14.214  -1.113
  357    HE2  HIS  45           HE2      HIS  45  -1.837 -13.022  -0.535
  358    H    VAL  46           H        VAL  46  -2.612  -9.251   0.920
  359    HA   VAL  46           HA       VAL  46  -3.846  -8.927  -1.564
  360    HB   VAL  46           HB       VAL  46  -4.966  -6.984  -0.910
  361   1HG1  VAL  46          3HG1      VAL  46  -3.047  -6.845   1.103
  362   2HG1  VAL  46          2HG1      VAL  46  -2.852  -5.353   0.184
  363   3HG1  VAL  46          1HG1      VAL  46  -4.424  -5.766   0.869
  364   1HG2  VAL  46          3HG2      VAL  46  -3.451  -6.767  -2.951
  365   2HG2  VAL  46          2HG2      VAL  46  -4.066  -5.275  -2.238
  366   3HG2  VAL  46          1HG2      VAL  46  -2.407  -5.785  -1.923
  367   1HB   CYS  47          2HB       CYS  47   1.030 -10.630  -3.702
  368   2HB   CYS  47          1HB       CYS  47  -0.688 -10.991  -3.571
  369    H    CYS  47           H        CYS  47  -2.190  -9.552  -2.780
  370    HA   CYS  47           HA       CYS  47   0.528  -9.188  -2.016
  371    H    ALA  48           H        ALA  48  -1.371  -6.835  -2.801
  372    HA   ALA  48           HA       ALA  48   0.354  -5.577  -4.809
  373   1HB   ALA  48          1HB       ALA  48  -2.149  -4.320  -3.764
  374   2HB   ALA  48          3HB       ALA  48  -1.390  -4.160  -5.348
  375   3HB   ALA  48          2HB       ALA  48  -2.245  -5.644  -4.925
  376    H    ALA  49           H        ALA  49   1.841  -4.155  -4.206
  377    HA   ALA  49           HA       ALA  49   2.085  -3.402  -1.453
  378   1HB   ALA  49          3HB       ALA  49   4.206  -3.503  -2.137
  379   2HB   ALA  49          2HB       ALA  49   3.752  -3.335  -3.833
  380   3HB   ALA  49          1HB       ALA  49   3.941  -1.900  -2.824
  381   1HA   GLY  50          2HA       GLY  50  -0.183   0.201  -0.558
  382   2HA   GLY  50          1HA       GLY  50   0.330   0.545  -2.202
  383    H    GLY  50           H        GLY  50   1.500  -1.552  -0.488
  384   1HB   TRP  51          2HB       TRP  51   1.807   4.701  -2.580
  385   2HB   TRP  51          1HB       TRP  51   3.213   5.409  -1.792
  386    H    TRP  51           H        TRP  51   1.292   2.453  -2.300
  387    HA   TRP  51           HA       TRP  51   3.659   3.038  -0.887
  388    HD1  TRP  51           HD1      TRP  51   2.207   3.269  -4.737
  389    HE1  TRP  51           HE1      TRP  51   4.288   2.776  -6.184
  390    HE3  TRP  51           HE3      TRP  51   5.825   5.045  -1.590
  391    HZ2  TRP  51           HZ2      TRP  51   7.085   3.102  -6.007
  392    HZ3  TRP  51           HZ3      TRP  51   8.177   4.919  -2.304
  393    HH2  TRP  51           HH2      TRP  51   8.792   3.967  -4.467
  394   1HB   MET  52          2HB       MET  52   2.209   3.905   4.523
  395   2HB   MET  52          1HB       MET  52   1.063   3.384   3.297
  396   1HG   MET  52          2HG       MET  52   2.767   1.869   2.377
  397   2HG   MET  52          1HG       MET  52   3.869   2.362   3.662
  398    H    MET  52           H        MET  52   3.836   3.536   1.186
  399    HA   MET  52           HA       MET  52   1.869   5.354   2.385
  400   1HE   MET  52          1HE       MET  52   4.082  -0.142   3.660
  401   2HE   MET  52          3HE       MET  52   4.115   0.021   5.416
  402   3HE   MET  52          2HE       MET  52   3.104  -1.213   4.664
  403    H    ALA  53           H        ALA  53   2.749   5.897   4.744
  404    HA   ALA  53           HA       ALA  53   4.277   7.228   5.813
  405   1HB   ALA  53          3HB       ALA  53   5.946   5.987   6.679
  406   2HB   ALA  53          2HB       ALA  53   5.108   4.672   5.855
  407   3HB   ALA  53          1HB       ALA  53   6.505   5.439   5.099
  408   1HB   LYS  54          2HB       LYS  54   9.025   8.080   5.131
  409   2HB   LYS  54          1HB       LYS  54   9.675   8.522   3.560
  410   1HG   LYS  54          2HG       LYS  54   8.486  10.772   4.974
  411   2HG   LYS  54          1HG       LYS  54   9.823  10.024   5.847
  412   1HD   LYS  54          2HD       LYS  54  11.183  10.197   3.756
  413   2HD   LYS  54          1HD       LYS  54   9.863  11.126   3.042
  414   1HE   LYS  54          2HE       LYS  54  10.709  12.964   3.948
  415   2HE   LYS  54          1HE       LYS  54  10.389  12.289   5.546
  416    H    LYS  54           H        LYS  54   6.988   7.630   5.427
  417    HA   LYS  54           HA       LYS  54   7.145   9.761   3.752
  418   1HZ   LYS  54          3HZ       LYS  54  12.710  11.087   4.653
  419   2HZ   LYS  54          2HZ       LYS  54  12.875  12.725   4.266
  420   3HZ   LYS  54          1HZ       LYS  54  12.566  12.260   5.862
  421   1HA   GLY  55          1HA       GLY  55   8.071   6.968   0.157
  422   2HA   GLY  55          2HA       GLY  55   6.374   6.533   0.318
  423    H    GLY  55           H        GLY  55   7.113   6.426   2.860
  424   1HB   ARG  56          2HB       ARG  56   8.398   3.078   3.868
  425   2HB   ARG  56          1HB       ARG  56   6.713   2.573   3.868
  426   1HG   ARG  56          2HG       ARG  56   7.402   0.335   3.120
  427   2HG   ARG  56          1HG       ARG  56   9.089   0.851   3.192
  428   1HD   ARG  56          2HD       ARG  56   7.331   1.149   5.591
  429   2HD   ARG  56          1HD       ARG  56   8.030  -0.423   5.203
  430   1HH1  ARG  56          1HH1      ARG  56   7.605   2.706   6.281
  431   2HH1  ARG  56          2HH1      ARG  56   8.596   3.751   7.243
  432   1HH2  ARG  56          2HH2      ARG  56  11.503   1.851   6.831
  433   2HH2  ARG  56          1HH2      ARG  56  10.813   3.265   7.555
  434    H    ARG  56           H        ARG  56   6.720   4.680   2.475
  435    HA   ARG  56           HA       ARG  56   8.500   2.625   1.428
  436    HE   ARG  56           HE       ARG  56  10.188   0.481   5.568
  437    H    VAL  57           H        VAL  57   7.829   0.661   0.609
  438    HA   VAL  57           HA       VAL  57   4.939   0.408   0.086
  439    HB   VAL  57           HB       VAL  57   5.257   0.045  -2.102
  440   1HG1  VAL  57          2HG1      VAL  57   6.871   1.982  -1.384
  441   2HG1  VAL  57          1HG1      VAL  57   8.119   0.851  -1.910
  442   3HG1  VAL  57          3HG1      VAL  57   6.872   1.377  -3.041
  443   1HG2  VAL  57          2HG2      VAL  57   7.668  -1.576  -1.319
  444   2HG2  VAL  57          1HG2      VAL  57   6.107  -2.154  -1.901
  445   3HG2  VAL  57          3HG2      VAL  57   7.198  -1.305  -2.996
  446   1HA   GLY  58          2HA       GLY  58   5.022  -3.495   1.915
  447   2HA   GLY  58          1HA       GLY  58   5.543  -4.084   0.343
  448    H    GLY  58           H        GLY  58   4.092  -1.726  -0.073
  449   1HB   TYR  59          2HB       TYR  59   1.401  -7.614  -0.838
  450   2HB   TYR  59          1HB       TYR  59   1.642  -6.017  -1.543
  451    H    TYR  59           H        TYR  59   4.175  -5.935   0.956
  452    HA   TYR  59           HA       TYR  59   1.307  -5.416   0.646
  453    HD1  TYR  59           HD1      TYR  59   4.080  -5.203  -1.799
  454    HD2  TYR  59           HD2      TYR  59   3.029  -9.276  -1.103
  455    HE1  TYR  59           HE1      TYR  59   6.265  -5.913  -2.672
  456    HE2  TYR  59           HE2      TYR  59   5.212  -9.988  -1.978
  457    HH   TYR  59           HH       TYR  59   7.122  -8.242  -3.816
  458   1HB   PRO  60          2HB       PRO  60  -0.747  -7.718   5.114
  459   2HB   PRO  60          1HB       PRO  60   0.671  -6.777   5.579
  460   1HG   PRO  60          2HG       PRO  60  -1.422  -6.176   3.542
  461   2HG   PRO  60          1HG       PRO  60  -0.588  -5.078   4.655
  462   1HD   PRO  60          2HD       PRO  60   0.055  -5.245   2.039
  463   2HD   PRO  60          1HD       PRO  60   1.263  -4.899   3.291
  464    HA   PRO  60           HA       PRO  60   1.819  -8.208   4.227
  465   1HG1  ILE  61          2HG1      ILE  61   2.572 -10.518   1.370
  466   2HG1  ILE  61          1HG1      ILE  61   2.694 -11.690   0.062
  467    H    ILE  61           H        ILE  61   1.833 -10.154   3.120
  468    HA   ILE  61           HA       ILE  61  -0.640 -11.134   1.935
  469    HB   ILE  61           HB       ILE  61   1.868 -12.759   2.103
  470   1HG2  ILE  61          2HG2      ILE  61  -0.636 -13.048   0.880
  471   2HG2  ILE  61          1HG2      ILE  61   0.509 -12.723  -0.423
  472   3HG2  ILE  61          3HG2      ILE  61   0.785 -14.073   0.678
  473   1HD1  ILE  61          2HD1      ILE  61   0.214 -10.074   0.302
  474   2HD1  ILE  61          1HD1      ILE  61   1.673  -9.322  -0.343
  475   3HD1  ILE  61          3HD1      ILE  61   0.993 -10.745  -1.130
  476    H    VAL  62           H        VAL  62  -1.812 -12.850   2.657
  477    HA   VAL  62           HA       VAL  62  -0.962 -14.168   5.139
  478    HB   VAL  62           HB       VAL  62  -3.829 -13.365   4.726
  479   1HG1  VAL  62          3HG1      VAL  62  -2.711 -15.083   6.483
  480   2HG1  VAL  62          2HG1      VAL  62  -2.633 -13.583   7.407
  481   3HG1  VAL  62          1HG1      VAL  62  -4.183 -14.166   6.802
  482   1HG2  VAL  62          1HG2      VAL  62  -2.515 -11.307   4.672
  483   2HG2  VAL  62          3HG2      VAL  62  -3.456 -11.423   6.159
  484   3HG2  VAL  62          2HG2      VAL  62  -1.726 -11.765   6.182
  485   1HB   LYS  63          2HB       LYS  63  -4.983 -15.438   2.140
  486   2HB   LYS  63          1HB       LYS  63  -4.588 -15.628   0.439
  487   1HG   LYS  63          2HG       LYS  63  -4.668 -18.211   1.606
  488   2HG   LYS  63          1HG       LYS  63  -6.117 -17.335   2.104
  489   1HD   LYS  63          2HD       LYS  63  -6.930 -17.195  -0.016
  490   2HD   LYS  63          1HD       LYS  63  -5.325 -17.127  -0.743
  491   1HE   LYS  63          2HE       LYS  63  -5.836 -19.225  -1.393
  492   2HE   LYS  63          1HE       LYS  63  -5.275 -19.628   0.227
  493    H    LYS  63           H        LYS  63  -2.450 -14.279   2.059
  494    HA   LYS  63           HA       LYS  63  -2.960 -17.156   2.408
  495   1HZ   LYS  63          3HZ       LYS  63  -7.995 -18.920   0.338
  496   2HZ   LYS  63          2HZ       LYS  63  -7.788 -20.088  -0.867
  497   3HZ   LYS  63          1HZ       LYS  63  -7.273 -20.404   0.713
  498   1HB   PRO  64          2HB       PRO  64   1.315 -18.576   0.189
  499   2HB   PRO  64          1HB       PRO  64   2.117 -17.093  -0.330
  500   1HG   PRO  64          2HG       PRO  64   1.751 -17.634   2.259
  501   2HG   PRO  64          1HG       PRO  64   1.622 -15.981   1.634
  502   1HD   PRO  64          2HD       PRO  64  -0.533 -17.870   2.456
  503   2HD   PRO  64          1HD       PRO  64  -0.456 -16.102   2.610
  504    HA   PRO  64           HA       PRO  64   0.159 -16.115  -1.008
  505   1HA   GLY  65          2HA       GLY  65  -1.736 -18.651  -3.960
  506   2HA   GLY  65          1HA       GLY  65  -0.634 -19.855  -3.305
  507    H    GLY  65           H        GLY  65   0.249 -17.117  -2.976
  508   1HB   PRO  66          2HB       PRO  66  -0.238 -16.703  -8.934
  509   2HB   PRO  66          1HB       PRO  66  -1.206 -18.166  -8.728
  510   1HG   PRO  66          2HG       PRO  66  -1.274 -15.611  -7.167
  511   2HG   PRO  66          1HG       PRO  66  -2.624 -16.596  -7.757
  512   1HD   PRO  66          2HD       PRO  66  -1.726 -16.684  -5.186
  513   2HD   PRO  66          1HD       PRO  66  -2.478 -18.071  -6.000
  514    HA   PRO  66           HA       PRO  66   0.704 -18.882  -7.649
  515   1HB   ASN  67          2HB       ASN  67   3.261 -13.419  -9.259
  516   2HB   ASN  67          1HB       ASN  67   3.415 -14.859 -10.260
  517   1HD2  ASN  67          1HD2      ASN  67   1.729 -15.507 -11.439
  518   2HD2  ASN  67          2HD2      ASN  67   0.157 -14.792 -11.393
  519    H    ASN  67           H        ASN  67   1.234 -16.299  -9.013
  520    HA   ASN  67           HA       ASN  67   3.816 -15.812  -8.217
  521   1HB   CYS  68          2HB       CYS  68  -0.668 -13.561  -5.339
  522   2HB   CYS  68          1HB       CYS  68  -0.080 -12.295  -4.268
  523    H    CYS  68           H        CYS  68   0.890 -14.747  -6.763
  524    HA   CYS  68           HA       CYS  68   2.223 -12.692  -5.176
  525   1HA   GLY  69          2HA       GLY  69   2.514 -16.010  -2.215
  526   2HA   GLY  69          1HA       GLY  69   2.672 -14.524  -1.287
  527    H    GLY  69           H        GLY  69   3.520 -13.753  -3.726
  528   1HB   PHE  70          2HB       PHE  70   6.358 -12.841   0.056
  529   2HB   PHE  70          1HB       PHE  70   7.220 -13.936   1.130
  530    H    PHE  70           H        PHE  70   4.611 -14.007  -0.465
  531    HA   PHE  70           HA       PHE  70   7.072 -14.902  -1.630
  532    HD1  PHE  70           HD1      PHE  70   7.509 -12.024  -2.022
  533    HD2  PHE  70           HD2      PHE  70   9.556 -14.084   1.089
  534    HE1  PHE  70           HE1      PHE  70   9.653 -11.154  -2.862
  535    HE2  PHE  70           HE2      PHE  70  11.703 -13.217   0.256
  536    HZ   PHE  70           HZ       PHE  70  11.753 -11.750  -1.722
  537   1HA   GLY  71          1HA       GLY  71   6.802 -18.482   0.999
  538   2HA   GLY  71          2HA       GLY  71   5.095 -18.801   0.707
  539    H    GLY  71           H        GLY  71   4.818 -16.533   0.069
  540   1HB   LYS  72          2HB       LYS  72   7.572 -15.451   4.298
  541   2HB   LYS  72          1HB       LYS  72   6.595 -14.834   5.623
  542   1HG   LYS  72          2HG       LYS  72   7.027 -16.870   6.899
  543   2HG   LYS  72          1HG       LYS  72   7.999 -17.498   5.566
  544   1HD   LYS  72          2HD       LYS  72   9.679 -15.900   5.882
  545   2HD   LYS  72          1HD       LYS  72   8.631 -14.861   6.850
  546   1HE   LYS  72          2HE       LYS  72   8.583 -17.013   8.405
  547   2HE   LYS  72          1HE       LYS  72  10.139 -17.298   7.625
  548    H    LYS  72           H        LYS  72   6.336 -16.067   2.532
  549    HA   LYS  72           HA       LYS  72   5.503 -17.340   5.038
  550   1HZ   LYS  72          1HZ       LYS  72  10.361 -14.724   8.278
  551   2HZ   LYS  72          3HZ       LYS  72   9.375 -15.262   9.544
  552   3HZ   LYS  72          2HZ       LYS  72  10.879 -15.987   9.275
  553    H    THR  73           H        THR  73   4.511 -15.762   6.667
  554    HA   THR  73           HA       THR  73   2.395 -14.241   5.296
  555    HB   THR  73           HB       THR  73   1.137 -14.535   7.490
  556    HG1  THR  73           HG1      THR  73   1.924 -16.511   8.619
  557   1HG2  THR  73          1HG2      THR  73   0.874 -15.888   5.312
  558   2HG2  THR  73          3HG2      THR  73   1.720 -17.172   6.178
  559   3HG2  THR  73          2HG2      THR  73   0.187 -16.556   6.794
  560   1HA   GLY  74          2HA       GLY  74   4.234 -10.902   7.474
  561   2HA   GLY  74          1HA       GLY  74   2.526 -10.506   7.619
  562    H    GLY  74           H        GLY  74   2.480 -12.105   5.486
  563   1HG1  ILE  75          1HG1      ILE  75   2.092  -5.333   5.465
  564   2HG1  ILE  75          2HG1      ILE  75   1.998  -6.252   6.963
  565    H    ILE  75           H        ILE  75   3.854  -8.353   7.297
  566    HA   ILE  75           HA       ILE  75   3.097  -7.350   4.749
  567    HB   ILE  75           HB       ILE  75   4.456  -6.202   7.144
  568   1HG2  ILE  75          2HG2      ILE  75   4.427  -4.909   4.423
  569   2HG2  ILE  75          1HG2      ILE  75   4.754  -4.053   5.930
  570   3HG2  ILE  75          3HG2      ILE  75   5.840  -5.333   5.389
  571   1HD1  ILE  75          1HD1      ILE  75   3.236  -4.254   8.007
  572   2HD1  ILE  75          3HD1      ILE  75   2.731  -3.388   6.555
  573   3HD1  ILE  75          2HD1      ILE  75   1.520  -4.094   7.627
  574   1HG1  ILE  76          2HG1      ILE  76   4.186  -9.227   2.261
  575   2HG1  ILE  76          1HG1      ILE  76   4.175  -9.707   0.569
  576    H    ILE  76           H        ILE  76   4.173  -7.510   2.909
  577    HA   ILE  76           HA       ILE  76   6.990  -8.253   2.927
  578    HB   ILE  76           HB       ILE  76   5.448  -7.805   0.409
  579   1HG2  ILE  76          3HG2      ILE  76   7.889  -8.396   0.485
  580   2HG2  ILE  76          2HG2      ILE  76   7.409  -9.966   1.129
  581   3HG2  ILE  76          1HG2      ILE  76   6.874  -9.471  -0.477
  582   1HD1  ILE  76          3HD1      ILE  76   6.430 -10.804   2.030
  583   2HD1  ILE  76          2HD1      ILE  76   4.868 -11.291   2.688
  584   3HD1  ILE  76          1HD1      ILE  76   5.245 -11.599   0.993
  585   1HB   ASP  77          2HB       ASP  77   6.825  -3.054   3.247
  586   2HB   ASP  77          1HB       ASP  77   7.639  -3.965   4.515
  587    H    ASP  77           H        ASP  77   7.916  -6.282   3.615
  588    HA   ASP  77           HA       ASP  77   7.900  -4.183   1.550
  589   1HB   TYR  78          2HB       TYR  78  11.323  -4.702  -0.865
  590   2HB   TYR  78          1HB       TYR  78  12.972  -4.159  -0.571
  591    H    TYR  78           H        TYR  78   9.796  -4.194   0.555
  592    HA   TYR  78           HA       TYR  78  12.177  -5.163   1.888
  593    HD1  TYR  78           HD1      TYR  78  10.786  -7.112   0.119
  594    HD2  TYR  78           HD2      TYR  78  14.679  -5.688  -0.836
  595    HE1  TYR  78           HE1      TYR  78  11.579  -9.431  -0.076
  596    HE2  TYR  78           HE2      TYR  78  15.484  -8.004  -1.035
  597    HH   TYR  78           HH       TYR  78  14.608 -10.230  -1.437
  598   1HA   GLY  79          2HA       GLY  79  13.082  -0.999   3.036
  599   2HA   GLY  79          1HA       GLY  79  11.422  -0.452   3.268
  600    H    GLY  79           H        GLY  79  10.702  -2.459   2.381
  601   1HG1  ILE  80          1HG1      ILE  80  11.592   3.532   2.582
  602   2HG1  ILE  80          2HG1      ILE  80  12.590   4.980   2.671
  603    H    ILE  80           H        ILE  80  12.513   1.605   2.553
  604    HA   ILE  80           HA       ILE  80  11.625   2.464   0.126
  605    HB   ILE  80           HB       ILE  80  14.025   3.430   1.676
  606   1HG2  ILE  80          3HG2      ILE  80  12.887   4.353  -0.902
  607   2HG2  ILE  80          2HG2      ILE  80  13.389   5.584   0.257
  608   3HG2  ILE  80          1HG2      ILE  80  14.551   4.388  -0.318
  609   1HD1  ILE  80          2HD1      ILE  80  10.752   4.524   0.359
  610   2HD1  ILE  80          1HD1      ILE  80  10.167   5.203   1.877
  611   3HD1  ILE  80          3HD1      ILE  80  11.426   6.035   0.967
  612   1HB   ARG  81          2HB       ARG  81  12.487   1.733  -4.505
  613   2HB   ARG  81          1HB       ARG  81  13.565   0.370  -4.769
  614   1HG   ARG  81          2HG       ARG  81  11.628   0.177  -2.533
  615   2HG   ARG  81          1HG       ARG  81  11.006   0.054  -4.181
  616   1HD   ARG  81          2HD       ARG  81  13.309  -1.591  -3.155
  617   2HD   ARG  81          1HD       ARG  81  11.631  -2.127  -3.082
  618   1HH1  ARG  81          2HH1      ARG  81  13.496  -3.654  -3.444
  619   2HH1  ARG  81          1HH1      ARG  81  13.960  -4.792  -4.664
  620   1HH2  ARG  81          2HH2      ARG  81  12.656  -2.924  -7.315
  621   2HH2  ARG  81          1HH2      ARG  81  13.483  -4.378  -6.865
  622    H    ARG  81           H        ARG  81  12.179   2.200  -1.941
  623    HA   ARG  81           HA       ARG  81  14.498   0.575  -2.577
  624    HE   ARG  81           HE       ARG  81  12.049  -1.430  -5.701
  625   1HB   LEU  82          2HB       LEU  82  17.327   3.010  -3.368
  626   2HB   LEU  82          1HB       LEU  82  17.618   4.488  -4.259
  627    H    LEU  82           H        LEU  82  14.762   3.394  -1.645
  628    HA   LEU  82           HA       LEU  82  16.018   5.238  -2.082
  629    HG   LEU  82           HG       LEU  82  19.399   4.053  -2.645
  630   1HD1  LEU  82          1HD1      LEU  82  17.801   6.449  -2.759
  631   2HD1  LEU  82          3HD1      LEU  82  18.597   6.289  -1.193
  632   3HD1  LEU  82          2HD1      LEU  82  19.553   6.267  -2.675
  633   1HD2  LEU  82          2HD2      LEU  82  17.507   3.039  -1.026
  634   2HD2  LEU  82          1HD2      LEU  82  19.090   3.576  -0.462
  635   3HD2  LEU  82          3HD2      LEU  82  17.693   4.643  -0.315
  636   1HB   ASN  83          2HB       ASN  83  14.895   5.365  -6.938
  637   2HB   ASN  83          1HB       ASN  83  13.626   4.149  -6.828
  638   1HD2  ASN  83          2HD2      ASN  83  12.579   4.063  -8.672
  639   2HD2  ASN  83          1HD2      ASN  83  12.050   5.415  -9.608
  640    H    ASN  83           H        ASN  83  13.583   4.475  -3.827
  641    HA   ASN  83           HA       ASN  83  13.661   6.837  -5.439
  642   1HB   ARG  84          2HB       ARG  84   8.298   7.914  -3.787
  643   2HB   ARG  84          1HB       ARG  84   9.859   7.820  -2.984
  644   1HG   ARG  84          2HG       ARG  84  10.652   9.650  -4.017
  645   2HG   ARG  84          1HG       ARG  84   9.850   9.267  -5.542
  646   1HD   ARG  84          2HD       ARG  84   8.398  10.883  -5.066
  647   2HD   ARG  84          1HD       ARG  84   7.770   9.831  -3.799
  648   1HH1  ARG  84          2HH1      ARG  84   7.827  12.502  -4.974
  649   2HH1  ARG  84          1HH1      ARG  84   7.961  14.092  -4.299
  650   1HH2  ARG  84          2HH2      ARG  84   9.755  13.061  -1.482
  651   2HH2  ARG  84          1HH2      ARG  84   9.056  14.410  -2.316
  652    H    ARG  84           H        ARG  84  11.729   7.623  -4.927
  653    HA   ARG  84           HA       ARG  84   9.483   5.870  -4.417
  654    HE   ARG  84           HE       ARG  84   9.574  10.971  -2.379
  655   1HB   SER  85          2HB       SER  85  10.346   8.048  -9.188
  656   2HB   SER  85          1HB       SER  85  10.970   6.456  -9.619
  657    H    SER  85           H        SER  85  10.495   5.862  -7.102
  658    HA   SER  85           HA       SER  85   8.197   7.019  -8.539
  659    HG   SER  85           HG       SER  85   8.586   6.977 -10.815
  660   1HB   GLU  86          2HB       GLU  86   8.104   1.841  -6.564
  661   2HB   GLU  86          1HB       GLU  86   8.769   0.713  -7.738
  662   1HG   GLU  86          2HG       GLU  86  10.309   3.052  -6.649
  663   2HG   GLU  86          1HG       GLU  86  10.326   1.450  -5.913
  664    H    GLU  86           H        GLU  86   8.984   4.268  -7.246
  665    HA   GLU  86           HA       GLU  86   8.954   2.411  -9.401
  666   1HB   ARG  87          2HB       ARG  87   4.013   0.527 -11.516
  667   2HB   ARG  87          1HB       ARG  87   5.576   1.207 -11.940
  668   1HG   ARG  87          2HG       ARG  87   6.631  -0.814 -10.892
  669   2HG   ARG  87          1HG       ARG  87   5.010  -1.499 -10.763
  670   1HD   ARG  87          2HD       ARG  87   5.477  -2.355 -12.789
  671   2HD   ARG  87          1HD       ARG  87   5.022  -0.749 -13.358
  672   1HH1  ARG  87          1HH1      ARG  87   5.660  -2.447 -14.915
  673   2HH1  ARG  87          2HH1      ARG  87   6.880  -2.646 -16.127
  674   1HH2  ARG  87          1HH2      ARG  87   9.328  -0.875 -14.367
  675   2HH2  ARG  87          2HH2      ARG  87   8.968  -1.753 -15.815
  676    H    ARG  87           H        ARG  87   7.235   0.839  -9.804
  677    HA   ARG  87           HA       ARG  87   4.640   2.161  -9.855
  678    HE   ARG  87           HE       ARG  87   7.714  -0.618 -12.778
  679   1HB   TRP  88          2HB       TRP  88   3.776   1.231  -5.683
  680   2HB   TRP  88          1HB       TRP  88   2.766  -0.044  -5.014
  681    H    TRP  88           H        TRP  88   3.158   1.721  -8.398
  682    HA   TRP  88           HA       TRP  88   2.732  -0.975  -7.443
  683    HD1  TRP  88           HD1      TRP  88   6.207   0.761  -5.163
  684    HE1  TRP  88           HE1      TRP  88   7.724  -1.315  -5.070
  685    HE3  TRP  88           HE3      TRP  88   2.745  -2.817  -6.307
  686    HZ2  TRP  88           HZ2      TRP  88   7.478  -4.108  -5.427
  687    HZ3  TRP  88           HZ3      TRP  88   3.467  -5.167  -6.413
  688    HH2  TRP  88           HH2      TRP  88   5.785  -5.796  -5.983
  689   1HB   ASP  89          2HB       ASP  89  -0.925  -0.956  -4.599
  690   2HB   ASP  89          1HB       ASP  89  -2.329   0.111  -4.623
  691    H    ASP  89           H        ASP  89   1.322   0.117  -5.080
  692    HA   ASP  89           HA       ASP  89  -0.946   1.446  -6.401
  693    H    ALA  90           H        ALA  90  -2.246   1.213  -3.603
  694    HA   ALA  90           HA       ALA  90  -0.599   2.764  -1.877
  695   1HB   ALA  90          3HB       ALA  90  -1.037   4.514  -3.476
  696   2HB   ALA  90          1HB       ALA  90  -1.881   4.862  -1.965
  697   3HB   ALA  90          2HB       ALA  90  -2.775   4.234  -3.351
  698   1HB   TYR  91          2HB       TYR  91  -1.322   1.576   2.230
  699   2HB   TYR  91          1HB       TYR  91  -2.830   1.159   3.035
  700    H    TYR  91           H        TYR  91  -1.231   2.382   0.123
  701    HA   TYR  91           HA       TYR  91  -3.809   1.147   0.608
  702    HD1  TYR  91           HD1      TYR  91  -4.091  -0.879   1.589
  703    HD2  TYR  91           HD2      TYR  91   0.096  -0.205   1.989
  704    HE1  TYR  91           HE1      TYR  91  -3.669  -3.258   1.158
  705    HE2  TYR  91           HE2      TYR  91   0.525  -2.585   1.547
  706    HH   TYR  91           HH       TYR  91  -0.837  -4.489   0.246
  707   1HB   CYS  92          2HB       CYS  92  -6.752   4.189  -0.287
  708   2HB   CYS  92          1HB       CYS  92  -7.541   5.062   1.021
  709    H    CYS  92           H        CYS  92  -4.895   3.224  -0.033
  710    HA   CYS  92           HA       CYS  92  -4.783   5.626   1.228
  711   1HB   TYR  93          2HB       TYR  93  -4.697   5.034   5.441
  712   2HB   TYR  93          1HB       TYR  93  -4.928   6.769   5.641
  713    H    TYR  93           H        TYR  93  -6.096   6.604   2.920
  714    HA   TYR  93           HA       TYR  93  -7.149   4.832   4.958
  715    HD1  TYR  93           HD1      TYR  93  -6.538   7.556   7.455
  716    HD2  TYR  93           HD2      TYR  93  -5.086   3.565   7.228
  717    HE1  TYR  93           HE1      TYR  93  -7.149   7.209   9.812
  718    HE2  TYR  93           HE2      TYR  93  -5.691   3.202   9.582
  719    HH   TYR  93           HH       TYR  93  -6.086   4.518  11.607
  720   1HB   ASN  94          2HB       ASN  94 -10.564   7.083   4.447
  721   2HB   ASN  94          1HB       ASN  94 -11.423   8.284   5.407
  722   1HD2  ASN  94          2HD2      ASN  94 -10.139  10.415   5.580
  723   2HD2  ASN  94          1HD2      ASN  94  -9.531  11.025   4.081
  724    H    ASN  94           H        ASN  94  -8.676   5.776   6.222
  725    HA   ASN  94           HA       ASN  94  -8.977   8.612   6.444
  726   1HB   PRO  95          2HB       PRO  95 -11.585   9.302  11.133
  727   2HB   PRO  95          1HB       PRO  95  -9.981   8.631  11.444
  728   1HG   PRO  95          2HG       PRO  95 -10.835  10.643   9.418
  729   2HG   PRO  95          1HG       PRO  95  -9.330  10.554  10.348
  730   1HD   PRO  95          2HD       PRO  95  -9.437   9.847   7.760
  731   2HD   PRO  95          1HD       PRO  95  -8.394   8.994   8.917
  732    HA   PRO  95           HA       PRO  95 -10.650   6.843  10.206
  733   1HB   HIS  96          2HB       HIS  96 -14.025  10.208   7.685
  734   2HB   HIS  96          1HB       HIS  96 -15.497   9.582   6.950
  735    H    HIS  96           H        HIS  96 -12.228   8.485   7.673
  736    HA   HIS  96           HA       HIS  96 -14.842   7.554   8.659
  737    HD1  HIS  96           HD1      HIS  96 -17.581   9.409   8.425
  738    HD2  HIS  96           HD2      HIS  96 -14.212  10.755  10.450
  739    HE1  HIS  96           HE1      HIS  96 -18.422  10.260  10.637
  740    HE2  HIS  96           HE2      HIS  96 -16.355  10.991  11.878
  741    H    ALA  97           H        ALA  97 -12.762   6.368   6.866
  742    HA   ALA  97           HA       ALA  97 -13.922   6.409   4.225
  743   1HB   ALA  97          3HB       ALA  97 -12.188   4.447   3.975
  744   2HB   ALA  97          1HB       ALA  97 -11.560   5.104   5.487
  745   3HB   ALA  97          2HB       ALA  97 -11.652   6.125   4.053
  746   1HB   LYS  98          2HB       LYS  98 -16.914   3.905   3.687
  747   2HB   LYS  98          1HB       LYS  98 -16.414   2.293   4.181
  748   1HG   LYS  98          2HG       LYS  98 -18.858   2.553   5.393
  749   2HG   LYS  98          1HG       LYS  98 -19.084   3.416   3.871
  750   1HD   LYS  98          2HD       LYS  98 -18.517   1.514   2.592
  751   2HD   LYS  98          1HD       LYS  98 -17.858   0.672   3.996
  752   1HE   LYS  98          2HE       LYS  98 -20.235   0.819   4.951
  753   2HE   LYS  98          1HE       LYS  98 -20.728   1.212   3.304
  754    H    LYS  98           H        LYS  98 -15.900   5.665   5.911
  755    HA   LYS  98           HA       LYS  98 -17.494   4.089   6.291
  756   1HZ   LYS  98          3HZ       LYS  98 -19.031  -1.054   3.313
  757   2HZ   LYS  98          2HZ       LYS  98 -20.327  -1.303   4.372
  758   3HZ   LYS  98          1HZ       LYS  98 -20.622  -0.915   2.752

  No H/Q in entry =         758