*HEADER    CELL ADHESION                           29-OCT-02   1O7C
*TITLE     SOLUTION STRUCTURE OF THE HUMAN TSG-6 LINK MODULE IN THE
*TITLE    2 PRESENCE OF A HYALURONAN OCTASACCHARIDE
*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   23-OCT-03 1O7C    0




!complexed 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
assign (resid 76 and name O) (resid 59 and name N) 0.0 2.4 3.3
assign (resid 76 and name O) (resid 59 and name HN) 0.0 1.7 2.3
assign (resid 59 and name O) (resid 76 and name N) 0.0 2.4 3.3
assign (resid 59 and name O) (resid 76 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 in complex with HA8
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 HA2) (resid 9 and name HN) 0.0 1.8 5
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 3.5
assign (resid 11 and name HA) (resid 11 and name HN) 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 HN) 0.0 1.8 5
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 HE*) (resid 12 and name HD*) 0.0 1.8 3.5
assign (resid 11 and name HE*) (resid 12 and name HE*) 0.0 1.8 2.7
assign (resid 11 and name HE*) (resid 12 and name HH) 0.0 1.8 5 
assign (resid 11 and name HE*) (resid 48 and name HA) 0.0 1.8 5 
assign (resid 11 and name HE*) (resid 48 and name HB*) 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 HE*) 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 HE*) 0.0 1.8 3.5
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 HD*) 0.0 1.8 3.5
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 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 HA) (resid 88 and name HE3) 0.0 1.8 5
assign (resid 12 and name HA) (resid 88 and name HN) 0.0 1.8 5
assign (resid 12 and name HA) (resid 89 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 12 and name HN) 0.0 1.8 5
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 HB2) (resid 12 and name HN) 0.0 1.8 5
assign (resid 12 and name HD*) (resid 12 and name HA) 0.0 1.8 3.5
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 14 and name HN) 0.0 1.8 5
assign (resid 12 and name HD*) (resid 49 and name HN) 0.0 1.8 5
assign (resid 12 and name HD*) (resid 88 and name HE3) 0.0 1.8 3.5
assign (resid 12 and name HD*) (resid 89 and name HN) 0.0 1.8 5
assign (resid 12 and name HE*) (resid 11 and name HE*) 0.0 1.8 5 
assign (resid 12 and name HE*) (resid 12 and name HD*) 0.0 1.8 2.7
assign (resid 12 and name HE*) (resid 12 and name HH) 0.0 1.8 3.5 
assign (resid 12 and name HE*) (resid 12 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 88 and name HZ3) 0.0 1.8 5
assign (resid 12 and name HE*) (resid 89 and name HN) 0.0 1.8 5
assign (resid 12 and name HH) (resid 49 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 12 and name HN) (resid 13 and name HN) 0.0 1.8 5
assign (resid 13 and name HA) (resid 13 and name HD2) 0.0 1.8 5.0
assign (resid 13 and name HA) (resid 13 and name HN) 0.0 1.8 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 3.0
assign (resid 13 and name HB1) (resid 13 and name HN) 0.0 1.8 3.5
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 5
assign (resid 13 and name HB2) (resid 14 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 2.7
assign (resid 13 and name HG*) (resid 13 and name HN) 0.0 1.8 5
assign (resid 13 and name HN) (resid 7 and name HB*) 0.0 1.8 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 18 and name HN) 0.0 1.8 5
assign (resid 14 and name HA) (resid 19 and name HN) 0.0 1.8 5
assign (resid 14 and name HA) (resid 88 and name HN) 0.0 1.8 5
assign (resid 14 and name HB1) (resid 14 and name HA) 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 HA) 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 51 and name HE1) 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 3.5
assign (resid 14 and name HD*) (resid 7 and name HA) 0.0 1.8 2.7 
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 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 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 2.7 
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 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 HA) 0.0 1.8 3.5
assign (resid 14 and name HG) (resid 14 and name HN) 0.0 1.8 3.5
assign (resid 14 and name HG) (resid 89 and name HA) 0.0 1.8 5
assign (resid 14 and name HN) (resid 13 and name HN) 0.0 1.8 3.5
assign (resid 14 and name HN) (resid 88 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 17 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 86 and name HN) 0.0 1.8 5
assign (resid 15 and name HA) (resid 88 and name HN) 0.0 1.8 5
assign (resid 15 and name HB) (resid 15 and name HA) 0.0 1.8 3.5
assign (resid 15 and name HB) (resid 16 and name HN) 0.0 1.8 5
assign (resid 15 and name HB) (resid 17 and name HN) 0.0 1.8 3.5
assign (resid 15 and name HG2*) (resid 15 and name HA) 0.0 1.8 3.5
assign (resid 15 and name HG2*) (resid 15 and name HN) 0.0 1.8 2.7
assign (resid 15 and name HG2*) (resid 51 and name HE1) 0.0 1.8 5
assign (resid 15 and name HG2*) (resid 85 and name HA) 0.0 1.8 3.5 
assign (resid 15 and name HN) (resid 14 and name HD1*) 0.0 1.8 3.5 
assign (resid 15 and name HN) (resid 19 and name HN) 0.0 1.8 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 4.0 
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 4.0 
assign (resid 16 and name HA) (resid 51 and name HE1) 0.0 1.8 5
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 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 17 and name HN) 0.0 1.8 3.5
assign (resid 16 and name HD*) (resid 51 and name HE3) 0.0 1.8 2.7
assign (resid 16 and name HN) (resid 15 and name HG2*) 0.0 1.8 5 
assign (resid 17 and name HA) (resid 17 and name HN) 0.0 1.8 3.5
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 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 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 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 3.5
assign (resid 18 and name HA) (resid 18 and name HN) 0.0 1.8 3.0 
assign (resid 18 and name HA) (resid 21 and name HN) 0.0 1.8 5
assign (resid 18 and name HA) (resid 22 and name HN) 0.0 1.8 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 HN) 0.0 1.8 3.5
assign (resid 18 and name HB1) (resid 19 and name HN) 0.0 1.8 3.5
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 2.7
assign (resid 18 and name HB2) (resid 19 and name HN) 0.0 1.8 2.7
assign (resid 18 and name HB2) (resid 20 and name HN) 0.0 1.8 5
assign (resid 18 and name HG2) (resid 15 and name HG2*) 0.0 1.8 5 
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 18 and name HN) (resid 17 and name HN) 0.0 1.8 3.5
assign (resid 18 and name HN) (resid 18 and name HG1) 0.0 1.8 3.5
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 5
assign (resid 19 and name HA) (resid 22 and name HB) 0.0 1.8 3.5 
assign (resid 19 and name HA) (resid 22 and name HN) 0.0 1.8 4.0
assign (resid 19 and name HA) (resid 51 and name HD1) 0.0 1.8 5 
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 4.0
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 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 HA) 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 20 and name HN) 0.0 1.8 3.0 
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 4.0 
assign (resid 2 and name HB) (resid 2 and name HA) 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 HG1*) (resid 2 and name HA) 0.0 1.8 3.5 
assign (resid 2 and name HG1*) (resid 2 and name HN) 0.0 1.8 2.7
assign (resid 2 and name HG1*) (resid 3 and name HN) 0.0 1.8 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 HD*) 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 HA) 0.0 1.8 4.0 
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 31 and name HB*) 0.0 1.8 3.5 
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 3.5 
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 HD*) 0.0 1.8 2.7
assign (resid 2 and name HG2*) (resid 93 and name HE*) 0.0 1.8 5 
assign (resid 2 and name HN) (resid 3 and name HN) 0.0 1.8 5.0 
assign (resid 20 and name HA) (resid 20 and name HN) 0.0 1.8 3 
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 3.5
assign (resid 20 and name HA) (resid 30 and name HN) 0.0 1.8 5
assign (resid 20 and name HB1) (resid 17 and name HA) 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 HG1) (resid 30 and name HN) 0.0 1.8 5
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 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 3.5
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assign (resid 82 and name HD1*) (resid 83 and name HN) 0.0 1.8 5
assign (resid 82 and name HD1*) (resid 84 and name HN) 0.0 1.8 5
assign (resid 82 and name HD2*) (resid 82 and name HA) 0.0 1.8 2.7
assign (resid 82 and name HN) (resid 82 and name HB1) 0.0 1.8 5
assign (resid 82 and name HN) (resid 82 and name HB2) 0.0 1.8 5
assign (resid 82 and name HN) (resid 83 and name HN) 0.0 1.8 5
assign (resid 83 and name HA) (resid 83 and name HN) 0.0 1.8 5
assign (resid 83 and name HA) (resid 84 and name HN) 0.0 1.8 3.0 
assign (resid 83 and name HA) (resid 85 and name HN) 0.0 1.8 3.5
assign (resid 83 and name HB1) (resid 83 and name HD21) 0.0 1.8 5
assign (resid 83 and name HB1) (resid 83 and name HD22) 0.0 1.8 5
assign (resid 83 and name HB1) (resid 83 and name HN) 0.0 1.8 3.5
assign (resid 83 and name HB1) (resid 84 and name HN) 0.0 1.8 5
assign (resid 83 and name HB1) (resid 85 and name HN) 0.0 1.8 5
assign (resid 83 and name HB2) (resid 83 and name HD21) 0.0 1.8 5
assign (resid 83 and name HB2) (resid 83 and name HD22) 0.0 1.8 5
assign (resid 83 and name HB2) (resid 83 and name HN) 0.0 1.8 5
assign (resid 83 and name HB2) (resid 85 and name HN) 0.0 1.8 5
assign (resid 83 and name HB2) (resid 86 and name HN) 0.0 1.8 5
assign (resid 83 and name HD2*) (resid 83 and name HN) 0.0 1.8 5
assign (resid 83 and name HD2*) (resid 85 and name HN) 0.0 1.8 5
assign (resid 83 and name HD21) (resid 83 and name HN) 0.0 1.8 5
assign (resid 83 and name HD22) (resid 83 and name HD21) 0.0 1.8 2.7
assign (resid 83 and name HD22) (resid 85 and name HN) 0.0 1.8 5
assign (resid 84 and name HA) (resid 16 and name HN) 0.0 1.8 5
assign (resid 84 and name HA) (resid 51 and name HH2) 0.0 1.8 3.5
assign (resid 84 and name HA) (resid 84 and name HN) 0.0 1.8 3.5
assign (resid 84 and name HA) (resid 85 and name HN) 0.0 1.8 3.5
assign (resid 84 and name HB1) (resid 17 and name HN) 0.0 1.8 5
assign (resid 84 and name HB1) (resid 84 and name HE) 0.0 1.8 5
assign (resid 84 and name HB1) (resid 84 and name HN) 0.0 1.8 3.5
assign (resid 84 and name HB1) (resid 85 and name HN) 0.0 1.8 5
assign (resid 84 and name HB2) (resid 17 and name HN) 0.0 1.8 5
assign (resid 84 and name HB2) (resid 84 and name HN) 0.0 1.8 3.5
assign (resid 84 and name HB2) (resid 85 and name HN) 0.0 1.8 5
assign (resid 84 and name HD1) (resid 84 and name HE) 0.0 1.8 5
assign (resid 84 and name HD1) (resid 84 and name HN) 0.0 1.8 5
assign (resid 84 and name HD2) (resid 84 and name HA) 0.0 1.8 5
assign (resid 84 and name HD2) (resid 84 and name HE) 0.0 1.8 5
assign (resid 84 and name HD2) (resid 84 and name HN) 0.0 1.8 5
assign (resid 84 and name HG1) (resid 17 and name HN) 0.0 1.8 5
assign (resid 84 and name HG1) (resid 51 and name HH2) 0.0 1.8 5
assign (resid 84 and name HG1) (resid 84 and name HA) 0.0 1.8 3.5
assign (resid 84 and name HG1) (resid 84 and name HN) 0.0 1.8 3.5
assign (resid 84 and name HG2) (resid 84 and name HA) 0.0 1.8 3.5
assign (resid 84 and name HN) (resid 85 and name HN) 0.0 1.8 3.5
assign (resid 85 and name HA) (resid 86 and name HN) 0.0 1.8 3.5
assign (resid 85 and name HB*) (resid 83 and name HD22) 0.0 1.8 5
assign (resid 85 and name HB*) (resid 84 and name HN) 0.0 1.8 5
assign (resid 85 and name HB*) (resid 85 and name HN) 0.0 1.8 2.7
assign (resid 85 and name HB*) (resid 86 and name HN) 0.0 1.8 5
assign (resid 85 and name HN) (resid 85 and name HA) 0.0 1.8 3.5
assign (resid 86 and name HA) (resid 85 and name HN) 0.0 1.8 5
assign (resid 86 and name HA) (resid 86 and name HN) 0.0 1.8 5
assign (resid 86 and name HA) (resid 87 and name HN) 0.0 1.8 2.7
assign (resid 86 and name HB1) (resid 51 and name HZ2) 0.0 1.8 3.5
assign (resid 86 and name HB1) (resid 86 and name HN) 0.0 1.8 5
assign (resid 86 and name HB1) (resid 87 and name HN) 0.0 1.8 3.5
assign (resid 86 and name HB1) (resid 88 and name HE1) 0.0 1.8 3.5
assign (resid 86 and name HB2) (resid 51 and name HZ2) 0.0 1.8 3.5
assign (resid 86 and name HB2) (resid 86 and name HN) 0.0 1.8 3.5
assign (resid 86 and name HB2) (resid 87 and name HN) 0.0 1.8 3.5
assign (resid 86 and name HB2) (resid 88 and name HE1) 0.0 1.8 3.5
assign (resid 86 and name HB2) (resid 88 and name HZ2) 0.0 1.8 3.5
assign (resid 86 and name HG1) (resid 51 and name HZ2) 0.0 1.8 5
assign (resid 86 and name HG1) (resid 85 and name HN) 0.0 1.8 5
assign (resid 86 and name HG2) (resid 51 and name HZ2) 0.0 1.8 5.0 
assign (resid 86 and name HG2) (resid 86 and name HN) 0.0 1.8 3.5
assign (resid 86 and name HG2) (resid 87 and name HN) 0.0 1.8 5
assign (resid 86 and name HG2) (resid 88 and name HE1) 0.0 1.8 5
assign (resid 86 and name HN) (resid 85 and name HN) 0.0 1.8 3.5
assign (resid 87 and name HB1) (resid 13 and name HN) 0.0 1.8 5
assign (resid 87 and name HB1) (resid 14 and name HN) 0.0 1.8 5
assign (resid 87 and name HB1) (resid 87 and name HN) 0.0 1.8 3.5
assign (resid 87 and name HB1) (resid 88 and name HN) 0.0 1.8 5
assign (resid 87 and name HB2) (resid 13 and name HN) 0.0 1.8 5
assign (resid 87 and name HB2) (resid 14 and name HN) 0.0 1.8 5
assign (resid 87 and name HB2) (resid 87 and name HA) 0.0 1.8 3.5
assign (resid 87 and name HB2) (resid 87 and name HE) 0.0 1.8 5
assign (resid 87 and name HB2) (resid 87 and name HN) 0.0 1.8 4.0 
assign (resid 87 and name HB2) (resid 88 and name HN) 0.0 1.8 3.5
assign (resid 87 and name HD1) (resid 87 and name HE) 0.0 1.8 5
assign (resid 87 and name HD2) (resid 87 and name HE) 0.0 1.8 5
assign (resid 87 and name HG1) (resid 87 and name HA) 0.0 1.8 3.5
assign (resid 87 and name HG1) (resid 87 and name HE) 0.0 1.8 5
assign (resid 87 and name HG1) (resid 87 and name HN) 0.0 1.8 3.5
assign (resid 87 and name HG1) (resid 88 and name HN) 0.0 1.8 5
assign (resid 87 and name HN) (resid 51 and name HE1) 0.0 1.8 5
assign (resid 87 and name HN) (resid 86 and name HN) 0.0 1.8 5
assign (resid 87 and name HN) (resid 88 and name HE1) 0.0 1.8 5
assign (resid 88 and name HA) (resid 12 and name HD*) 0.0 1.8 3.5
assign (resid 88 and name HA) (resid 12 and name HE*) 0.0 1.8 3.5
assign (resid 88 and name HA) (resid 88 and name HE3) 0.0 1.8 3.5
assign (resid 88 and name HA) (resid 88 and name HN) 0.0 1.8 5
assign (resid 88 and name HA) (resid 89 and name HN) 0.0 1.8 5
assign (resid 88 and name HB1) (resid 51 and name HD1) 0.0 1.8 3.5
assign (resid 88 and name HB1) (resid 51 and name HE1) 0.0 1.8 5
assign (resid 88 and name HB1) (resid 51 and name HN) 0.0 1.8 5
assign (resid 88 and name HB1) (resid 88 and name HD1) 0.0 1.8 3.5
assign (resid 88 and name HB1) (resid 88 and name HE3) 0.0 1.8 5
assign (resid 88 and name HB1) (resid 88 and name HN) 0.0 1.8 5
assign (resid 88 and name HB1) (resid 89 and name HN) 0.0 1.8 3.5
assign (resid 88 and name HB2) (resid 51 and name HE1) 0.0 1.8 5
assign (resid 88 and name HB2) (resid 88 and name HD1) 0.0 1.8 4.0 
assign (resid 88 and name HB2) (resid 88 and name HE3) 0.0 1.8 5
assign (resid 88 and name HB2) (resid 88 and name HN) 0.0 1.8 5
assign (resid 88 and name HB2) (resid 89 and name HN) 0.0 1.8 3.5
assign (resid 88 and name HD1) (resid 51 and name HD1) 0.0 1.8 5
assign (resid 88 and name HD1) (resid 51 and name HE1) 0.0 1.8 5
assign (resid 88 and name HD1) (resid 51 and name HN) 0.0 1.8 5
assign (resid 88 and name HD1) (resid 87 and name HN) 0.0 1.8 5
assign (resid 88 and name HD1) (resid 88 and name HE1) 0.0 1.8 3.5
assign (resid 88 and name HE3) (resid 12 and name HE*) 0.0 1.8 3.5
assign (resid 88 and name HE3) (resid 88 and name HZ3) 0.0 1.8 2.7
assign (resid 88 and name HE3) (resid 89 and name HN) 0.0 1.8 5
assign (resid 88 and name HH2) (resid 88 and name HE3) 0.0 1.8 5
assign (resid 88 and name HH2) (resid 88 and name HZ3) 0.0 1.8 2.7
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 88 and name HE1) 0.0 1.8 5
assign (resid 88 and name HZ2) (resid 88 and name HH2) 0.0 1.8 2.7
assign (resid 89 and name HA) (resid 12 and name HD*) 0.0 1.8 5
assign (resid 89 and name HA) (resid 13 and name HN) 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 5 and name HN) 0.0 1.8 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 2.7
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 3.5
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 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 3.5
assign (resid 90 and name HA) (resid 51 and name HN) 0.0 1.8 3.5
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 4.0 
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 89 and name HA) 0.0 1.8 5
assign (resid 90 and name HB*) (resid 90 and name HA) 0.0 1.8 3.5
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 5 
assign (resid 90 and name HN) (resid 5 and name HN) 0.0 1.8 3.5
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 2.7
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 HD*) 0.0 1.8 2.7
assign (resid 91 and name HB1) (resid 91 and name HN) 0.0 1.8 3.5
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 HD*) 0.0 1.8 2.7
assign (resid 91 and name HB2) (resid 91 and name HN) 0.0 1.8 3.5
assign (resid 91 and name HD*) (resid 5 and name HN) 0.0 1.8 5
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 HH) 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 HD2) 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 50 and name HN) 0.0 1.8 3.5
assign (resid 91 and name HE*) (resid 51 and name HN) 0.0 1.8 5
assign (resid 91 and name HE*) (resid 91 and name HD*) 0.0 1.8 2.7
assign (resid 91 and name HE*) (resid 91 and name HH) 0.0 1.8 2.7
assign (resid 91 and name HH) (resid 48 and name HN) 0.0 1.8 5
assign (resid 91 and name HN) (resid 51 and name HN) 0.0 1.8 5
assign (resid 91 and name HN) (resid 92 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 30 and name HN) 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 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 3 and name HN) 0.0 1.8 5
assign (resid 92 and name HB2) (resid 92 and name HA) 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 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 3.5
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 29 and name HN) 0.0 1.8 5.0 
assign (resid 93 and name HB1) (resid 3 and name HN) 0.0 1.8 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 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 HD2) 0.0 1.8 3.5
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 HE*) 0.0 1.8 2.7
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 3.5
assign (resid 93 and name HE*) (resid 1 and name HA2) 0.0 1.8 5 
assign (resid 93 and name HE*) (resid 29 and name HD2) 0.0 1.8 3.5
assign (resid 93 and name HE*) (resid 95 and name HA) 0.0 1.8 5 
assign (resid 93 and name HE*) (resid 95 and name HB2) 0.0 1.8 5 
assign (resid 93 and name HN) (resid 31 and name HN) 0.0 1.8 5
assign (resid 93 and name HN) (resid 92 and name HN) 0.0 1.8 5
assign (resid 94 and name HA) (resid 29 and name HN) 0.0 1.8 5
assign (resid 94 and name HB*) (resid 94 and name HD21) 0.0 1.8 3.5
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 2.7
assign (resid 94 and name HB*) (resid 97 and name HN) 0.0 1.8 3.5
assign (resid 94 and name HD2*) (resid 26 and name HN) 0.0 1.8 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 96 and name HN) 0.0 1.8 5
assign (resid 95 and name HB1) (resid 96 and name HN) 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 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 HD1) (resid 97 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 5
assign (resid 95 and name HD2) (resid 97 and name HN) 0.0 1.8 5
assign (resid 95 and name HG1) (resid 95 and name HB1) 0.0 1.8 3.0
assign (resid 95 and name HG1) (resid 95 and name HB2) 0.0 1.8 3.5
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 HB1) 0.0 1.8 3.5
assign (resid 96 and name HA) (resid 96 and name HN) 0.0 1.8 5
assign (resid 96 and name HA) (resid 97 and name HN) 0.0 1.8 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 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 5
assign (resid 96 and name HN) (resid 95 and name HG1) 0.0 1.8 5 
assign (resid 97 and name HA) (resid 94 and name HD21) 0.0 1.8 5
assign (resid 97 and name HA) (resid 94 and name HD22) 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 93 and name HN) 0.0 1.8 5
assign (resid 97 and name HB*) (resid 94 and name HD21) 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 5.0
assign (resid 97 and name HN) (resid 96 and name HN) 0.0 1.8 2.7
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 HA) 0.0 1.8 3.5
assign (resid 98 and name HB1) (resid 98 and name HN) 0.0 1.8 2.7
assign (resid 98 and name HB2) (resid 98 and name HN) 0.0 1.8 3.5
assign (resid 98 and name HG*) (resid 98 and name HA) 0.0 1.8 3.5
assign (resid 98 and name HG*) (resid 98 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 complexed 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 )                           60.67 33.51

  

  

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 )                           56.23 40.44

  

  

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 )                          54.58 32.34

  

  

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 )                          53.38 34.24

  

  

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 )                          53.47 33.51

  

  

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 )                          52.36 20.37

  

  

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 )                          58.83 29.65

  

  

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 )                          58.21 63.26

  

  

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 )                          44.15 $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 )                          57.53 34.31

  

  

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 )                          54.49 32.42

  

  

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 )                          55.21 35.33

  

  

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 )                          54.97 43.79

  

  

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 )                          61.88 71.12

  

  

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 )                          61.49 37.16

  

  

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 )                          54.83 18.43

  

  

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 )                          58.69 31.18

  

  

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 )                          55.07 20.16

  

  

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 )                          60.14 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 )                          55.07 18.43

  

  

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 )                          66.42 31.32

  

  

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 )                          55.40 33.73

  

  

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 )                          58.54 29.06

  

  

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 )                          61.01 39.27

  

  

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 )                          56.42 29.57

  

  

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 )                          45.60 $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 )                          43.96 $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 )                          54.49 33.95

  

  

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 )                          56.90 42.77

  

  

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 )                          52.12 19.86

  

  

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 )                          59.95 71.11

  

  

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 )                          62.51 38.80

  

  

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 )                          59.99 33.00

  

  

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 )                          58.56 27.02

  

  

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 )                          58.25 42.19

  

  

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 )                          58.11 28.48

  

  

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 )                          55.12 18.13

  

  

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 )                          54.29 18.03

  

  

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 )                          58.74 30.89

  

  

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 )                          59.56 33.00

  

  

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 )                          60.96 37.89

  

  

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 )                          45.74 $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 )                          59.22 40.29

  

  

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 )                          55.36 34.90

  

  

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 )                          61.97 35.41

  

  

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 )                          55.40 45.25

  

  

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 )                          51.44 20.60

  

  

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 )                          53.62 18.43

  

  

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 )                          43.91 $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 )                          59.03 32.27

  

  

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 )                          54.49 39.42

  

  

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 )                          53.91 19.65

  

  

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 )                          57.96 30.16

  

  

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 )                          46.13 $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 )                          55.12 32.13

  

  

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 )                          60.04 35.41

  

  

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 )                          46.37 $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 )                          56.23 34.54

  

  

assign  (resid  59  and name c ) (resid  60  and name n ) 

        (resid  60  and name ca) (resid  60  and name c ) 

        (resid  61  and name n )                          62.46 33.45

  

  

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 )                          56.71 38.42

  

  

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 )                          64.50 34.21

  

  

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 )                          53.00 33.22

  

  

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 )                          63.45 32.19

  

  

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 )                          64.87 32.42

  

  

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 )                          52.89 39.04

  

  

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 )                          54.29 44.61

  

  

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 )                          45.84 $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 )                          58.99 36.14

  
  
  

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 )                          46.61 $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 )                          56.18 33.66

  

  

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 )                          60.96 71.06

  

  

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 )                          43.62 $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 )                          59.51 36.35

  

  

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 )                          59.52 33.22

  

  

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 )                          53.13 44.37

  

  

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 )                          58.85 $noexpectation

  

  

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 )                          44.68 $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 )                          61.54 36.65

  
  
  

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 )                          52.89 27.20

  

  

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 )                          56.95 42.28

  

  

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 )                          51.83 37.74

  

  

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 )                          56.85 29.43

  

  

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 )                          59.08 63.33

  

  

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 )                          57.68 31.54

  

  

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 )                          54.47 31.76

  

  

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 )                          54.66 33.73

  

  

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 )                          54.81 40.80

  

  

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 )                          52.26 23.38

  

  

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 )                          58.98 40.95

  

  

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 )                          50.77 37.96

  

  

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 )                          57.29 41.97

  

  

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 )                          49.85 41.64

  

  

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 )                          64.10 32.37

  

  

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 )                          55.45 29.57

  

  

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 )                          52.07 19.86

  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1          2H        GLY   1  -8.464   3.155   9.555
    2    H2   GLY   1          1H        GLY   1  -9.178   4.681   9.702
    3    H3   GLY   1          3H        GLY   1  -9.974   3.313  10.300
    4   1HA   GLY   1          2HA       GLY   1 -10.634   4.357   8.005
    5   2HA   GLY   1          1HA       GLY   1 -10.683   2.623   8.276
    6    H    VAL   2           H        VAL   2  -8.925   1.330   7.506
    7    HA   VAL   2           HA       VAL   2  -7.286   2.640   5.440
    8    HB   VAL   2           HB       VAL   2  -6.649  -0.122   6.329
    9   1HG1  VAL   2          3HG1      VAL   2  -5.151   2.295   5.389
   10   2HG1  VAL   2          2HG1      VAL   2  -4.314   0.959   6.178
   11   3HG1  VAL   2          1HG1      VAL   2  -5.212   0.679   4.685
   12   1HG2  VAL   2          2HG2      VAL   2  -6.660   2.209   8.121
   13   2HG2  VAL   2          1HG2      VAL   2  -6.692   0.485   8.494
   14   3HG2  VAL   2          3HG2      VAL   2  -5.165   1.275   8.101
   15    H    TYR   3           H        TYR   3  -7.436   2.016   3.360
   16    HA   TYR   3           HA       TYR   3  -8.739  -0.493   2.674
   17   1HB   TYR   3          2HB       TYR   3  -9.814   1.611   0.993
   18   2HB   TYR   3          1HB       TYR   3 -10.660   0.350   1.883
   19    HD1  TYR   3           HD1      TYR   3  -9.339   3.785   2.078
   20    HD2  TYR   3           HD2      TYR   3 -11.691   0.800   3.990
   21    HE1  TYR   3           HE1      TYR   3 -10.193   5.472   3.648
   22    HE2  TYR   3           HE2      TYR   3 -12.552   2.479   5.566
   23    HH   TYR   3           HH       TYR   3 -11.575   5.887   5.336
   24    H    HIS   4           H        HIS   4  -7.975  -1.373   0.824
   25    HA   HIS   4           HA       HIS   4  -5.618  -0.282  -0.324
   26   1HB   HIS   4          2HB       HIS   4  -5.782  -2.652  -0.249
   27   2HB   HIS   4          1HB       HIS   4  -7.351  -2.643  -1.047
   28    HD1  HIS   4           HD1      HIS   4  -7.258  -3.260  -3.431
   29    HD2  HIS   4           HD2      HIS   4  -3.690  -1.564  -2.141
   30    HE1  HIS   4           HE1      HIS   4  -5.717  -3.344  -5.417
   31    HE2  HIS   4           HE2      HIS   4  -3.544  -2.369  -4.595
   32    H    ARG   5           H        ARG   5  -5.257   0.426  -2.457
   33    HA   ARG   5           HA       ARG   5  -7.595   1.069  -4.084
   34   1HB   ARG   5          2HB       ARG   5  -5.592   3.116  -3.124
   35   2HB   ARG   5          1HB       ARG   5  -6.780   3.408  -4.386
   36   1HG   ARG   5          2HG       ARG   5  -7.671   2.475  -1.694
   37   2HG   ARG   5          1HG       ARG   5  -7.254   4.170  -1.952
   38   1HD   ARG   5          2HD       ARG   5  -8.969   4.484  -3.498
   39   2HD   ARG   5          1HD       ARG   5  -9.144   2.755  -3.794
   40    HE   ARG   5           HE       ARG   5  -9.874   3.900  -1.187
   41   1HH1  ARG   5          2HH1      ARG   5 -10.722   2.186  -4.099
   42   2HH1  ARG   5          1HH1      ARG   5 -12.276   1.697  -3.513
   43   1HH2  ARG   5          1HH2      ARG   5 -11.920   3.262  -0.407
   44   2HH2  ARG   5          2HH2      ARG   5 -12.958   2.309  -1.414
   45    H    GLU   6           H        GLU   6  -7.170   1.255  -6.275
   46    HA   GLU   6           HA       GLU   6  -4.411   0.598  -7.079
   47   1HB   GLU   6          2HB       GLU   6  -5.226  -0.729  -8.848
   48   2HB   GLU   6          1HB       GLU   6  -6.206  -1.167  -7.457
   49   1HG   GLU   6          2HG       GLU   6  -7.036   0.764  -9.609
   50   2HG   GLU   6          1HG       GLU   6  -7.509  -0.933  -9.530
   51    H    ALA   7           H        ALA   7  -4.588   0.967  -9.764
   52    HA   ALA   7           HA       ALA   7  -4.864   3.880  -9.933
   53   1HB   ALA   7          2HB       ALA   7  -2.892   3.746 -10.944
   54   2HB   ALA   7          1HB       ALA   7  -2.971   1.985 -10.955
   55   3HB   ALA   7          3HB       ALA   7  -3.676   2.907 -12.283
   56    H    ARG   8           H        ARG   8  -5.851   4.867 -11.767
   57    HA   ARG   8           HA       ARG   8  -8.321   3.756 -12.494
   58   1HB   ARG   8          2HB       ARG   8  -6.713   6.093 -13.450
   59   2HB   ARG   8          1HB       ARG   8  -8.147   5.610 -14.345
   60   1HG   ARG   8          2HG       ARG   8  -9.237   6.972 -12.959
   61   2HG   ARG   8          1HG       ARG   8  -9.080   5.665 -11.784
   62   1HD   ARG   8          2HD       ARG   8  -7.580   6.790 -10.547
   63   2HD   ARG   8          1HD       ARG   8  -6.743   7.424 -11.963
   64    HE   ARG   8           HE       ARG   8  -8.009   9.329 -11.820
   65   1HH1  ARG   8          2HH1      ARG   8  -9.434   6.851  -9.831
   66   2HH1  ARG   8          1HH1      ARG   8 -10.584   7.919  -9.098
   67   1HH2  ARG   8          2HH2      ARG   8  -9.519  10.744 -10.861
   68   2HH2  ARG   8          1HH2      ARG   8 -10.632  10.132  -9.683
   69    H    SER   9           H        SER   9  -5.193   3.229 -13.729
   70    HA   SER   9           HA       SER   9  -6.225   2.178 -16.265
   71   1HB   SER   9          2HB       SER   9  -3.567   1.871 -16.523
   72   2HB   SER   9          1HB       SER   9  -4.391   3.382 -16.905
   73    HG   SER   9           HG       SER   9  -3.772   4.209 -14.948
   74    H    GLY  10           H        GLY  10  -4.895   1.222 -13.215
   75   1HA   GLY  10          2HA       GLY  10  -4.496  -1.530 -14.158
   76   2HA   GLY  10          1HA       GLY  10  -5.678  -1.240 -12.889
   77    H    LYS  11           H        LYS  11  -4.243  -2.794 -11.764
   78    HA   LYS  11           HA       LYS  11  -2.743  -1.544  -9.782
   79   1HB   LYS  11          2HB       LYS  11  -3.604  -3.677  -9.283
   80   2HB   LYS  11          1HB       LYS  11  -2.902  -4.395 -10.726
   81   1HG   LYS  11          2HG       LYS  11  -0.661  -4.104  -9.761
   82   2HG   LYS  11          1HG       LYS  11  -1.396  -3.448  -8.296
   83   1HD   LYS  11          2HD       LYS  11  -1.189  -5.621  -7.647
   84   2HD   LYS  11          1HD       LYS  11  -2.769  -5.716  -8.428
   85   1HE   LYS  11          2HE       LYS  11  -0.134  -6.365  -9.744
   86   2HE   LYS  11          1HE       LYS  11  -1.265  -7.552  -9.095
   87   1HZ   LYS  11          3HZ       LYS  11  -2.929  -6.410 -10.674
   88   2HZ   LYS  11          2HZ       LYS  11  -1.552  -5.828 -11.464
   89   3HZ   LYS  11          1HZ       LYS  11  -1.802  -7.495 -11.320
   90    H    TYR  12           H        TYR  12  -0.501  -1.539  -9.325
   91    HA   TYR  12           HA       TYR  12   1.699  -1.217  -9.785
   92   1HB   TYR  12          2HB       TYR  12   1.089  -3.188 -11.992
   93   2HB   TYR  12          1HB       TYR  12   2.710  -2.613 -11.616
   94    HD1  TYR  12           HD1      TYR  12   1.458  -2.619  -8.511
   95    HD2  TYR  12           HD2      TYR  12   2.322  -5.435 -11.581
   96    HE1  TYR  12           HE1      TYR  12   1.689  -4.386  -6.816
   97    HE2  TYR  12           HE2      TYR  12   2.555  -7.210  -9.895
   98    HH   TYR  12           HH       TYR  12   2.507  -6.506  -6.465
   99    H    LYS  13           H        LYS  13   0.321   0.875 -10.488
  100    HA   LYS  13           HA       LYS  13   1.711   1.875 -12.817
  101   1HB   LYS  13          2HB       LYS  13  -1.283   1.594 -12.727
  102   2HB   LYS  13          1HB       LYS  13  -0.511   2.830 -13.710
  103   1HG   LYS  13          2HG       LYS  13   0.863   0.828 -14.655
  104   2HG   LYS  13          1HG       LYS  13  -0.476  -0.134 -14.023
  105   1HD   LYS  13          2HD       LYS  13  -1.819   1.841 -15.308
  106   2HD   LYS  13          1HD       LYS  13  -0.381   1.698 -16.321
  107   1HE   LYS  13          2HE       LYS  13  -1.042  -0.917 -15.911
  108   2HE   LYS  13          1HE       LYS  13  -2.628  -0.148 -15.961
  109   1HZ   LYS  13          2HZ       LYS  13  -0.909   0.799 -18.035
  110   2HZ   LYS  13          1HZ       LYS  13  -1.119  -0.877 -18.116
  111   3HZ   LYS  13          3HZ       LYS  13  -2.466   0.147 -18.143
  112    H    LEU  14           H        LEU  14   0.672   2.214  -9.762
  113    HA   LEU  14           HA       LEU  14   0.346   5.130  -9.893
  114   1HB   LEU  14          2HB       LEU  14  -0.469   3.021  -7.951
  115   2HB   LEU  14          1HB       LEU  14  -0.176   4.639  -7.349
  116    HG   LEU  14           HG       LEU  14  -2.067   4.131  -9.629
  117   1HD1  LEU  14          1HD1      LEU  14  -2.562   2.824  -7.448
  118   2HD1  LEU  14          3HD1      LEU  14  -2.991   4.408  -6.801
  119   3HD1  LEU  14          2HD1      LEU  14  -3.848   3.767  -8.202
  120   1HD2  LEU  14          2HD2      LEU  14  -1.054   6.445  -8.735
  121   2HD2  LEU  14          1HD2      LEU  14  -2.677   6.294  -9.407
  122   3HD2  LEU  14          3HD2      LEU  14  -2.443   6.295  -7.659
  123    H    THR  15           H        THR  15   1.794   6.486  -9.037
  124    HA   THR  15           HA       THR  15   4.206   5.312  -7.829
  125    HB   THR  15           HB       THR  15   5.460   7.122  -8.621
  126    HG1  THR  15           HG1      THR  15   3.727   8.821  -9.693
  127   1HG2  THR  15          2HG2      THR  15   4.129   5.626 -10.410
  128   2HG2  THR  15          1HG2      THR  15   3.555   7.225 -10.882
  129   3HG2  THR  15          3HG2      THR  15   5.284   6.877 -10.871
  130    H    TYR  16           H        TYR  16   5.067   6.212  -5.916
  131    HA   TYR  16           HA       TYR  16   3.490   6.740  -3.827
  132   1HB   TYR  16          2HB       TYR  16   5.861   6.572  -3.498
  133   2HB   TYR  16          1HB       TYR  16   6.148   8.047  -4.416
  134    HD1  TYR  16           HD1      TYR  16   4.550   6.775  -1.307
  135    HD2  TYR  16           HD2      TYR  16   6.226  10.120  -3.339
  136    HE1  TYR  16           HE1      TYR  16   4.432   8.090   0.769
  137    HE2  TYR  16           HE2      TYR  16   6.112  11.442  -1.268
  138    HH   TYR  16           HH       TYR  16   6.082  10.871   1.283
  139    H    ALA  17           H        ALA  17   4.459   9.124  -6.232
  140    HA   ALA  17           HA       ALA  17   3.266  11.350  -4.919
  141   1HB   ALA  17          1HB       ALA  17   4.008  11.021  -7.823
  142   2HB   ALA  17          3HB       ALA  17   3.658  12.543  -7.002
  143   3HB   ALA  17          2HB       ALA  17   5.077  11.600  -6.544
  144    H    GLU  18           H        GLU  18   2.202   9.197  -7.547
  145    HA   GLU  18           HA       GLU  18  -0.282  10.547  -7.936
  146   1HB   GLU  18          2HB       GLU  18   0.601   7.768  -8.739
  147   2HB   GLU  18          1HB       GLU  18  -0.847   8.577  -9.313
  148   1HG   GLU  18          2HG       GLU  18   0.479  10.274 -10.400
  149   2HG   GLU  18          1HG       GLU  18   1.957   9.570  -9.747
  150    H    ALA  19           H        ALA  19   0.684   7.536  -6.339
  151    HA   ALA  19           HA       ALA  19  -1.744   6.582  -5.490
  152   1HB   ALA  19          1HB       ALA  19  -0.269   5.067  -4.785
  153   2HB   ALA  19          2HB       ALA  19  -0.063   6.074  -3.351
  154   3HB   ALA  19          3HB       ALA  19   1.033   6.256  -4.722
  155    H    LYS  20           H        LYS  20   0.323   8.981  -3.891
  156    HA   LYS  20           HA       LYS  20  -1.329   9.352  -1.628
  157   1HB   LYS  20          2HB       LYS  20   1.125  10.030  -1.966
  158   2HB   LYS  20          1HB       LYS  20   0.492  11.453  -2.778
  159   1HG   LYS  20          2HG       LYS  20  -0.657  12.143  -0.778
  160   2HG   LYS  20          1HG       LYS  20  -0.178  10.657   0.047
  161   1HD   LYS  20          2HD       LYS  20   2.189  11.317  -0.215
  162   2HD   LYS  20          1HD       LYS  20   1.660  12.835  -0.943
  163   1HE   LYS  20          2HE       LYS  20   0.373  13.285   1.162
  164   2HE   LYS  20          1HE       LYS  20   1.161  11.875   1.868
  165   1HZ   LYS  20          2HZ       LYS  20   2.766  14.040   0.674
  166   2HZ   LYS  20          1HZ       LYS  20   2.179  14.183   2.254
  167   3HZ   LYS  20          3HZ       LYS  20   3.213  12.907   1.847
  168    H    ALA  21           H        ALA  21  -0.884  11.380  -4.524
  169    HA   ALA  21           HA       ALA  21  -2.665  13.371  -4.089
  170   1HB   ALA  21          1HB       ALA  21  -3.095  13.351  -6.574
  171   2HB   ALA  21          2HB       ALA  21  -2.121  11.882  -6.646
  172   3HB   ALA  21          3HB       ALA  21  -1.400  13.392  -6.091
  173    H    VAL  22           H        VAL  22  -3.441  10.073  -5.051
  174    HA   VAL  22           HA       VAL  22  -6.215  10.531  -5.476
  175    HB   VAL  22           HB       VAL  22  -4.517   8.093  -5.164
  176   1HG1  VAL  22          1HG1      VAL  22  -7.533   8.089  -5.166
  177   2HG1  VAL  22          3HG1      VAL  22  -6.509   6.667  -5.365
  178   3HG1  VAL  22          2HG1      VAL  22  -6.484   7.566  -3.848
  179   1HG2  VAL  22          1HG2      VAL  22  -4.689   9.201  -7.338
  180   2HG2  VAL  22          3HG2      VAL  22  -5.396   7.586  -7.379
  181   3HG2  VAL  22          2HG2      VAL  22  -6.441   9.005  -7.299
  182    H    CYS  23           H        CYS  23  -4.406   9.104  -2.772
  183    HA   CYS  23           HA       CYS  23  -6.640   8.653  -1.121
  184   1HB   CYS  23          2HB       CYS  23  -3.691   8.927  -0.589
  185   2HB   CYS  23          1HB       CYS  23  -4.838   8.699   0.725
  186    H    GLU  24           H        GLU  24  -4.240  11.276  -1.130
  187    HA   GLU  24           HA       GLU  24  -5.548  12.791   0.890
  188   1HB   GLU  24          2HB       GLU  24  -3.093  12.915   0.131
  189   2HB   GLU  24          1HB       GLU  24  -3.680  13.934  -1.175
  190   1HG   GLU  24          2HG       GLU  24  -4.211  15.667   0.225
  191   2HG   GLU  24          1HG       GLU  24  -4.420  14.615   1.625
  192    H    PHE  25           H        PHE  25  -6.171  12.313  -2.413
  193    HA   PHE  25           HA       PHE  25  -7.156  14.736  -3.300
  194   1HB   PHE  25          2HB       PHE  25  -7.082  12.192  -4.302
  195   2HB   PHE  25          1HB       PHE  25  -8.809  12.423  -4.056
  196    HD1  PHE  25           HD1      PHE  25  -5.838  14.022  -5.611
  197    HD2  PHE  25           HD2      PHE  25 -10.067  13.556  -5.636
  198    HE1  PHE  25           HE1      PHE  25  -5.960  15.289  -7.714
  199    HE2  PHE  25           HE2      PHE  25 -10.198  14.824  -7.742
  200    HZ   PHE  25           HZ       PHE  25  -8.142  15.692  -8.784
  201    H    GLU  26           H        GLU  26  -8.925  12.176  -1.597
  202    HA   GLU  26           HA       GLU  26 -11.129  14.051  -1.126
  203   1HB   GLU  26          2HB       GLU  26 -11.068  11.084  -0.568
  204   2HB   GLU  26          1HB       GLU  26 -12.479  12.133  -0.590
  205   1HG   GLU  26          2HG       GLU  26 -12.109  12.527  -2.992
  206   2HG   GLU  26          1HG       GLU  26 -10.762  11.391  -2.944
  207    H    GLY  27           H        GLY  27  -9.102  14.839   0.320
  208   1HA   GLY  27          1HA       GLY  27  -9.972  14.900   2.930
  209   2HA   GLY  27          2HA       GLY  27  -8.319  15.243   2.441
  210    H    GLY  28           H        GLY  28  -7.814  12.576   1.410
  211   1HA   GLY  28          2HA       GLY  28  -7.691  10.326   2.241
  212   2HA   GLY  28          1HA       GLY  28  -7.988  10.951   3.860
  213    H    HIS  29           H        HIS  29  -5.979   9.305   3.849
  214    HA   HIS  29           HA       HIS  29  -3.498  10.718   3.278
  215   1HB   HIS  29          2HB       HIS  29  -3.289   9.638   5.936
  216   2HB   HIS  29          1HB       HIS  29  -3.003  11.285   5.383
  217    HD1  HIS  29           HD1      HIS  29  -5.386  12.703   5.087
  218    HD2  HIS  29           HD2      HIS  29  -5.326   9.473   7.703
  219    HE1  HIS  29           HE1      HIS  29  -7.349  13.043   6.621
  220    HE2  HIS  29           HE2      HIS  29  -7.244  11.121   8.246
  221    H    LEU  30           H        LEU  30  -1.863   9.381   2.756
  222    HA   LEU  30           HA       LEU  30  -2.240   6.782   2.013
  223   1HB   LEU  30          2HB       LEU  30  -0.088   8.590   2.160
  224   2HB   LEU  30          1HB       LEU  30   0.459   7.120   2.943
  225    HG   LEU  30           HG       LEU  30  -0.803   7.092   0.217
  226   1HD1  LEU  30          2HD1      LEU  30   1.646   8.312   0.890
  227   2HD1  LEU  30          1HD1      LEU  30   2.035   6.777   0.112
  228   3HD1  LEU  30          3HD1      LEU  30   1.015   7.953  -0.717
  229   1HD2  LEU  30          1HD2      LEU  30   0.180   5.128   2.053
  230   2HD2  LEU  30          3HD2      LEU  30  -0.594   4.898   0.485
  231   3HD2  LEU  30          2HD2      LEU  30   1.155   5.104   0.583
  232    H    ALA  31           H        ALA  31  -1.908   4.773   2.904
  233    HA   ALA  31           HA       ALA  31  -2.133   4.625   5.785
  234   1HB   ALA  31          1HB       ALA  31  -3.029   3.058   3.647
  235   2HB   ALA  31          3HB       ALA  31  -1.859   2.060   4.509
  236   3HB   ALA  31          2HB       ALA  31  -3.240   2.742   5.369
  237    H    THR  32           H        THR  32  -0.625   3.737   7.179
  238    HA   THR  32           HA       THR  32   2.091   3.532   6.097
  239    HB   THR  32           HB       THR  32   2.900   3.837   8.339
  240    HG1  THR  32           HG1      THR  32   1.462   3.941  10.098
  241   1HG2  THR  32          1HG2      THR  32   0.795   5.692   7.349
  242   2HG2  THR  32          3HG2      THR  32   1.468   5.971   8.955
  243   3HG2  THR  32          2HG2      THR  32   2.528   5.951   7.545
  244    H    TYR  33           H        TYR  33   3.378   2.058   7.923
  245    HA   TYR  33           HA       TYR  33   2.704  -0.612   7.190
  246   1HB   TYR  33          2HB       TYR  33   5.023  -0.036   7.510
  247   2HB   TYR  33          1HB       TYR  33   4.713   0.501   9.153
  248    HD1  TYR  33           HD1      TYR  33   4.340  -2.587   7.069
  249    HD2  TYR  33           HD2      TYR  33   5.273  -0.919  10.871
  250    HE1  TYR  33           HE1      TYR  33   4.889  -4.829   7.912
  251    HE2  TYR  33           HE2      TYR  33   5.824  -3.158  11.724
  252    HH   TYR  33           HH       TYR  33   5.020  -6.006  10.067
  253    H    LYS  34           H        LYS  34   3.139   0.753  10.427
  254    HA   LYS  34           HA       LYS  34   1.890  -1.208  11.879
  255   1HB   LYS  34          2HB       LYS  34   1.817   1.755  12.469
  256   2HB   LYS  34          1HB       LYS  34   1.549   0.467  13.633
  257   1HG   LYS  34          2HG       LYS  34   4.105   0.377  12.166
  258   2HG   LYS  34          1HG       LYS  34   3.897   1.709  13.304
  259   1HD   LYS  34          2HD       LYS  34   2.993  -0.357  14.793
  260   2HD   LYS  34          1HD       LYS  34   4.200  -1.178  13.801
  261   1HE   LYS  34          2HE       LYS  34   5.561  -0.495  15.483
  262   2HE   LYS  34          1HE       LYS  34   5.633   0.957  14.485
  263   1HZ   LYS  34          3HZ       LYS  34   3.622   0.653  16.630
  264   2HZ   LYS  34          2HZ       LYS  34   5.171   1.252  16.949
  265   3HZ   LYS  34          1HZ       LYS  34   4.153   2.072  15.876
  266    H    GLN  35           H        GLN  35   0.425   1.513  10.175
  267    HA   GLN  35           HA       GLN  35  -2.189   1.144  11.196
  268   1HB   GLN  35          2HB       GLN  35  -1.179   2.471   8.676
  269   2HB   GLN  35          1HB       GLN  35  -2.855   2.515   9.196
  270   1HG   GLN  35          2HG       GLN  35  -2.161   3.628  11.275
  271   2HG   GLN  35          1HG       GLN  35  -0.498   3.630  10.693
  272   1HE2  GLN  35          1HE2      GLN  35  -1.476   5.990  11.351
  273   2HE2  GLN  35          2HE2      GLN  35  -1.857   6.938   9.957
  274    H    LEU  36           H        LEU  36  -0.776   0.317   8.030
  275    HA   LEU  36           HA       LEU  36  -2.962  -1.163   7.094
  276   1HB   LEU  36          2HB       LEU  36  -0.787  -0.347   5.889
  277   2HB   LEU  36          1HB       LEU  36  -0.147  -1.901   6.382
  278    HG   LEU  36           HG       LEU  36  -1.136  -1.705   4.026
  279   1HD1  LEU  36          3HD1      LEU  36  -0.597  -3.816   5.295
  280   2HD1  LEU  36          2HD1      LEU  36  -2.303  -3.884   5.735
  281   3HD1  LEU  36          1HD1      LEU  36  -1.826  -3.964   4.039
  282   1HD2  LEU  36          2HD2      LEU  36  -3.609  -1.550   5.708
  283   2HD2  LEU  36          1HD2      LEU  36  -3.153  -0.583   4.305
  284   3HD2  LEU  36          3HD2      LEU  36  -3.645  -2.263   4.095
  285    H    GLU  37           H        GLU  37  -0.577  -1.844   9.441
  286    HA   GLU  37           HA       GLU  37  -0.662  -4.686   9.364
  287   1HB   GLU  37          2HB       GLU  37   1.166  -3.364  10.415
  288   2HB   GLU  37          1HB       GLU  37   0.045  -2.873  11.675
  289   1HG   GLU  37          2HG       GLU  37  -0.273  -5.461  11.948
  290   2HG   GLU  37          1HG       GLU  37   1.321  -5.512  11.196
  291    H    ALA  38           H        ALA  38  -1.992  -2.384  11.714
  292    HA   ALA  38           HA       ALA  38  -3.562  -4.177  13.126
  293   1HB   ALA  38          2HB       ALA  38  -2.996  -1.678  13.586
  294   2HB   ALA  38          3HB       ALA  38  -4.512  -2.354  14.182
  295   3HB   ALA  38          1HB       ALA  38  -4.500  -1.370  12.718
  296    H    ALA  39           H        ALA  39  -4.031  -2.833  10.005
  297    HA   ALA  39           HA       ALA  39  -6.867  -3.534   9.927
  298   1HB   ALA  39          1HB       ALA  39  -5.118  -2.400   7.745
  299   2HB   ALA  39          3HB       ALA  39  -6.878  -2.515   7.735
  300   3HB   ALA  39          2HB       ALA  39  -6.070  -1.433   8.871
  301    H    ARG  40           H        ARG  40  -3.758  -4.623   8.907
  302    HA   ARG  40           HA       ARG  40  -4.588  -6.552   7.003
  303   1HB   ARG  40          2HB       ARG  40  -2.335  -5.821   6.898
  304   2HB   ARG  40          1HB       ARG  40  -2.084  -6.114   8.613
  305   1HG   ARG  40          2HG       ARG  40  -2.833  -8.562   7.346
  306   2HG   ARG  40          1HG       ARG  40  -1.506  -7.822   6.450
  307   1HD   ARG  40          2HD       ARG  40  -1.545  -8.362   9.417
  308   2HD   ARG  40          1HD       ARG  40  -0.694  -9.323   8.209
  309    HE   ARG  40           HE       ARG  40   0.101  -6.605   8.077
  310   1HH1  ARG  40          2HH1      ARG  40   0.486  -9.503   9.971
  311   2HH1  ARG  40          1HH1      ARG  40   2.052  -9.063  10.565
  312   1HH2  ARG  40          1HH2      ARG  40   2.164  -6.016   8.854
  313   2HH2  ARG  40          2HH2      ARG  40   3.006  -7.080   9.930
  314    H    LYS  41           H        LYS  41  -4.062  -6.508  10.468
  315    HA   LYS  41           HA       LYS  41  -4.266  -9.316  10.823
  316   1HB   LYS  41          2HB       LYS  41  -4.816  -7.218  12.914
  317   2HB   LYS  41          1HB       LYS  41  -4.277  -8.873  13.168
  318   1HG   LYS  41          2HG       LYS  41  -2.230  -8.076  11.724
  319   2HG   LYS  41          1HG       LYS  41  -2.740  -6.488  12.296
  320   1HD   LYS  41          2HD       LYS  41  -2.693  -8.470  14.421
  321   2HD   LYS  41          1HD       LYS  41  -1.118  -8.271  13.649
  322   1HE   LYS  41          2HE       LYS  41  -1.356  -6.752  15.536
  323   2HE   LYS  41          1HE       LYS  41  -1.239  -5.858  14.020
  324   1HZ   LYS  41          1HZ       LYS  41  -3.888  -6.161  14.268
  325   2HZ   LYS  41          3HZ       LYS  41  -3.434  -6.035  15.893
  326   3HZ   LYS  41          2HZ       LYS  41  -3.034  -4.803  14.805
  327    H    ILE  42           H        ILE  42  -6.534  -6.930  10.133
  328    HA   ILE  42           HA       ILE  42  -8.747  -8.391  11.369
  329    HB   ILE  42           HB       ILE  42 -10.119  -6.513  10.940
  330   1HG1  ILE  42          1HG1      ILE  42  -8.127  -4.870   9.522
  331   2HG1  ILE  42          2HG1      ILE  42  -8.714  -6.250   8.610
  332   1HG2  ILE  42          3HG2      ILE  42  -7.356  -5.738  11.819
  333   2HG2  ILE  42          2HG2      ILE  42  -8.692  -4.587  11.821
  334   3HG2  ILE  42          1HG2      ILE  42  -8.784  -6.046  12.807
  335   1HD1  ILE  42          2HD1      ILE  42 -11.010  -5.488   8.926
  336   2HD1  ILE  42          1HD1      ILE  42 -10.420  -4.100   9.839
  337   3HD1  ILE  42          3HD1      ILE  42 -10.019  -4.266   8.130
  338    H    GLY  43           H        GLY  43  -7.105  -8.069   8.409
  339   1HA   GLY  43          1HA       GLY  43  -9.424  -9.052   6.887
  340   2HA   GLY  43          2HA       GLY  43  -7.938  -9.992   6.909
  341    H    PHE  44           H        PHE  44  -6.721  -7.023   7.048
  342    HA   PHE  44           HA       PHE  44  -7.182  -6.092   4.375
  343   1HB   PHE  44          2HB       PHE  44  -6.420  -4.804   6.554
  344   2HB   PHE  44          1HB       PHE  44  -4.819  -5.228   5.971
  345    HD1  PHE  44           HD1      PHE  44  -4.987  -4.938   3.117
  346    HD2  PHE  44           HD2      PHE  44  -6.772  -2.569   6.163
  347    HE1  PHE  44           HE1      PHE  44  -5.047  -3.014   1.580
  348    HE2  PHE  44           HE2      PHE  44  -6.841  -0.644   4.635
  349    HZ   PHE  44           HZ       PHE  44  -5.977  -0.865   2.340
  350    H    HIS  45           H        HIS  45  -6.617  -7.754   2.978
  351    HA   HIS  45           HA       HIS  45  -3.731  -8.335   2.830
  352   1HB   HIS  45          2HB       HIS  45  -5.025 -10.317   3.534
  353   2HB   HIS  45          1HB       HIS  45  -6.007 -10.183   2.081
  354    HD1  HIS  45           HD1      HIS  45  -4.169 -12.651   2.882
  355    HD2  HIS  45           HD2      HIS  45  -3.253  -9.693   0.112
  356    HE1  HIS  45           HE1      HIS  45  -2.478 -13.681   1.333
  357    HE2  HIS  45           HE2      HIS  45  -1.871 -11.844  -0.279
  358    H    VAL  46           H        VAL  46  -2.760  -7.818   0.970
  359    HA   VAL  46           HA       VAL  46  -4.255  -7.763  -1.515
  360    HB   VAL  46           HB       VAL  46  -2.746  -5.322  -1.438
  361   1HG1  VAL  46          2HG1      VAL  46  -5.256  -6.349  -2.367
  362   2HG1  VAL  46          1HG1      VAL  46  -5.493  -4.780  -1.598
  363   3HG1  VAL  46          3HG1      VAL  46  -4.347  -4.945  -2.927
  364   1HG2  VAL  46          2HG2      VAL  46  -3.186  -5.388   0.984
  365   2HG2  VAL  46          1HG2      VAL  46  -4.026  -4.057   0.186
  366   3HG2  VAL  46          3HG2      VAL  46  -4.914  -5.510   0.651
  367    H    CYS  47           H        CYS  47  -2.937  -9.251  -2.449
  368    HA   CYS  47           HA       CYS  47  -0.119  -9.292  -2.204
  369   1HB   CYS  47          2HB       CYS  47  -1.725 -11.180  -2.937
  370   2HB   CYS  47          1HB       CYS  47  -1.612 -10.462  -4.540
  371    H    ALA  48           H        ALA  48   0.406  -7.067  -2.614
  372    HA   ALA  48           HA       ALA  48   1.466  -6.571  -5.142
  373   1HB   ALA  48          2HB       ALA  48  -0.899  -6.377  -5.826
  374   2HB   ALA  48          3HB       ALA  48   0.001  -4.876  -6.050
  375   3HB   ALA  48          1HB       ALA  48  -1.098  -5.050  -4.681
  376    H    ALA  49           H        ALA  49   2.924  -4.944  -5.002
  377    HA   ALA  49           HA       ALA  49   3.625  -3.850  -2.554
  378   1HB   ALA  49          3HB       ALA  49   5.421  -3.331  -3.749
  379   2HB   ALA  49          2HB       ALA  49   4.551  -3.687  -5.241
  380   3HB   ALA  49          1HB       ALA  49   4.508  -2.060  -4.561
  381    H    GLY  50           H        GLY  50   2.462  -2.518  -1.324
  382   1HA   GLY  50          2HA       GLY  50   0.483  -1.129  -1.082
  383   2HA   GLY  50          1HA       GLY  50   0.837  -0.451  -2.663
  384    H    TRP  51           H        TRP  51   1.608   1.535  -2.614
  385    HA   TRP  51           HA       TRP  51   3.838   2.395  -1.239
  386   1HB   TRP  51          2HB       TRP  51   1.508   3.856  -2.437
  387   2HB   TRP  51          1HB       TRP  51   2.767   4.741  -1.578
  388    HD1  TRP  51           HD1      TRP  51   1.970   3.318  -4.910
  389    HE1  TRP  51           HE1      TRP  51   4.027   3.480  -6.459
  390    HE3  TRP  51           HE3      TRP  51   5.510   4.526  -1.431
  391    HZ2  TRP  51           HZ2      TRP  51   6.788   4.048  -6.226
  392    HZ3  TRP  51           HZ3      TRP  51   7.831   4.863  -2.166
  393    HH2  TRP  51           HH2      TRP  51   8.456   4.626  -4.517
  394    H    MET  52           H        MET  52   4.178   3.694   0.577
  395    HA   MET  52           HA       MET  52   2.122   4.444   2.378
  396   1HB   MET  52          2HB       MET  52   3.269   2.802   4.184
  397   2HB   MET  52          1HB       MET  52   1.810   2.394   3.292
  398   1HG   MET  52          2HG       MET  52   3.354   1.331   1.573
  399   2HG   MET  52          1HG       MET  52   4.620   1.482   2.789
  400   1HE   MET  52          2HE       MET  52   5.222  -0.852   2.920
  401   2HE   MET  52          1HE       MET  52   5.024  -0.435   4.622
  402   3HE   MET  52          3HE       MET  52   4.406  -1.970   4.013
  403    H    ALA  53           H        ALA  53   3.192   4.949   4.630
  404    HA   ALA  53           HA       ALA  53   4.601   6.377   5.714
  405   1HB   ALA  53          1HB       ALA  53   6.965   5.211   4.373
  406   2HB   ALA  53          2HB       ALA  53   5.913   4.111   5.265
  407   3HB   ALA  53          3HB       ALA  53   6.650   5.487   6.086
  408    H    LYS  54           H        LYS  54   7.039   7.470   5.086
  409    HA   LYS  54           HA       LYS  54   6.308   9.686   3.522
  410   1HB   LYS  54          2HB       LYS  54   8.493   8.922   5.168
  411   2HB   LYS  54          1HB       LYS  54   9.152   9.472   3.635
  412   1HG   LYS  54          2HG       LYS  54   8.397  11.615   3.917
  413   2HG   LYS  54          1HG       LYS  54   7.071  11.125   4.971
  414   1HD   LYS  54          2HD       LYS  54   9.685  10.508   6.092
  415   2HD   LYS  54          1HD       LYS  54   9.465  12.231   5.778
  416   1HE   LYS  54          2HE       LYS  54   7.576  10.482   7.348
  417   2HE   LYS  54          1HE       LYS  54   8.752  11.598   8.043
  418   1HZ   LYS  54          3HZ       LYS  54   7.605  13.425   6.948
  419   2HZ   LYS  54          2HZ       LYS  54   6.471  12.351   6.298
  420   3HZ   LYS  54          1HZ       LYS  54   6.555  12.580   7.972
  421    H    GLY  55           H        GLY  55   7.205   6.612   2.514
  422   1HA   GLY  55          1HA       GLY  55   8.644   7.412   0.140
  423   2HA   GLY  55          2HA       GLY  55   6.969   6.966  -0.158
  424    H    ARG  56           H        ARG  56   7.311   5.040   2.236
  425    HA   ARG  56           HA       ARG  56   9.011   3.023   0.980
  426   1HB   ARG  56          2HB       ARG  56   9.231   2.051   3.031
  427   2HB   ARG  56          1HB       ARG  56   8.840   3.682   3.558
  428   1HG   ARG  56          2HG       ARG  56   6.550   3.070   3.941
  429   2HG   ARG  56          1HG       ARG  56   6.825   1.468   3.253
  430   1HD   ARG  56          2HD       ARG  56   6.838   1.277   5.641
  431   2HD   ARG  56          1HD       ARG  56   8.482   1.042   5.050
  432    HE   ARG  56           HE       ARG  56   8.230   3.731   5.667
  433   1HH1  ARG  56          2HH1      ARG  56   8.071   0.675   7.330
  434   2HH1  ARG  56          1HH1      ARG  56   8.639   1.316   8.835
  435   1HH2  ARG  56          1HH2      ARG  56   8.978   4.587   7.643
  436   2HH2  ARG  56          2HH2      ARG  56   9.155   3.542   9.013
  437    H    VAL  57           H        VAL  57   8.245   1.269  -0.038
  438    HA   VAL  57           HA       VAL  57   5.336   0.796   0.054
  439    HB   VAL  57           HB       VAL  57   5.434   1.416  -2.120
  440   1HG1  VAL  57          3HG1      VAL  57   8.341   0.878  -1.848
  441   2HG1  VAL  57          2HG1      VAL  57   7.648   0.915  -3.470
  442   3HG1  VAL  57          1HG1      VAL  57   7.502   2.322  -2.416
  443   1HG2  VAL  57          3HG2      VAL  57   5.265  -1.223  -1.900
  444   2HG2  VAL  57          2HG2      VAL  57   5.265  -0.413  -3.467
  445   3HG2  VAL  57          1HG2      VAL  57   6.748  -1.143  -2.851
  446    H    GLY  58           H        GLY  58   4.804  -1.113   0.869
  447   1HA   GLY  58          2HA       GLY  58   5.703  -3.073   2.064
  448   2HA   GLY  58          1HA       GLY  58   6.783  -3.302   0.697
  449    H    TYR  59           H        TYR  59   5.300  -5.409   1.505
  450    HA   TYR  59           HA       TYR  59   3.021  -5.539  -0.343
  451   1HB   TYR  59          2HB       TYR  59   4.676  -7.984  -0.160
  452   2HB   TYR  59          1HB       TYR  59   3.832  -7.292  -1.543
  453    HD1  TYR  59           HD1      TYR  59   4.878  -5.061  -2.479
  454    HD2  TYR  59           HD2      TYR  59   6.990  -7.900  -0.117
  455    HE1  TYR  59           HE1      TYR  59   7.007  -4.196  -3.354
  456    HE2  TYR  59           HE2      TYR  59   9.125  -7.042  -0.985
  457    HH   TYR  59           HH       TYR  59   9.371  -5.097  -3.669
  458    HA   PRO  60           HA       PRO  60   1.914  -7.037   3.926
  459   1HB   PRO  60          2HB       PRO  60  -0.684  -5.951   3.021
  460   2HB   PRO  60          1HB       PRO  60   0.178  -5.685   4.537
  461   1HG   PRO  60          2HG       PRO  60   0.026  -3.784   2.655
  462   2HG   PRO  60          1HG       PRO  60   1.470  -3.989   3.659
  463   1HD   PRO  60          2HD       PRO  60   1.004  -4.785   0.822
  464   2HD   PRO  60          1HD       PRO  60   2.477  -4.167   1.595
  465    H    ILE  61           H        ILE  61   1.489  -9.139   4.049
  466    HA   ILE  61           HA       ILE  61  -0.699 -10.254   2.449
  467    HB   ILE  61           HB       ILE  61   1.993 -11.604   2.696
  468   1HG1  ILE  61          1HG1      ILE  61   1.929  -9.586   1.177
  469   2HG1  ILE  61          2HG1      ILE  61   2.370 -11.099   0.391
  470   1HG2  ILE  61          1HG2      ILE  61  -0.064 -13.051   2.588
  471   2HG2  ILE  61          3HG2      ILE  61  -0.349 -12.389   0.978
  472   3HG2  ILE  61          2HG2      ILE  61   1.117 -13.314   1.305
  473   1HD1  ILE  61          2HD1      ILE  61  -0.368 -10.995   0.100
  474   2HD1  ILE  61          1HD1      ILE  61   0.146  -9.321  -0.118
  475   3HD1  ILE  61          3HD1      ILE  61   0.836 -10.593  -1.126
  476    H    VAL  62           H        VAL  62  -2.090 -10.957   3.938
  477    HA   VAL  62           HA       VAL  62  -1.142 -11.949   6.502
  478    HB   VAL  62           HB       VAL  62  -4.004 -12.195   6.061
  479   1HG1  VAL  62          3HG1      VAL  62  -2.307 -10.624   7.996
  480   2HG1  VAL  62          2HG1      VAL  62  -4.058 -10.802   8.108
  481   3HG1  VAL  62          1HG1      VAL  62  -3.016 -12.217   8.260
  482   1HG2  VAL  62          1HG2      VAL  62  -3.653 -10.373   4.484
  483   2HG2  VAL  62          3HG2      VAL  62  -4.497  -9.800   5.923
  484   3HG2  VAL  62          2HG2      VAL  62  -2.779  -9.461   5.715
  485    H    LYS  63           H        LYS  63  -2.009 -13.200   3.476
  486    HA   LYS  63           HA       LYS  63  -2.236 -15.900   4.630
  487   1HB   LYS  63          2HB       LYS  63  -4.380 -14.886   3.615
  488   2HB   LYS  63          1HB       LYS  63  -3.588 -15.104   2.062
  489   1HG   LYS  63          2HG       LYS  63  -3.507 -17.463   2.340
  490   2HG   LYS  63          1HG       LYS  63  -4.016 -17.340   4.026
  491   1HD   LYS  63          2HD       LYS  63  -6.205 -16.827   3.465
  492   2HD   LYS  63          1HD       LYS  63  -5.764 -16.258   1.855
  493   1HE   LYS  63          2HE       LYS  63  -6.865 -18.325   1.547
  494   2HE   LYS  63          1HE       LYS  63  -5.148 -18.638   1.307
  495   1HZ   LYS  63          1HZ       LYS  63  -6.393 -19.055   3.947
  496   2HZ   LYS  63          3HZ       LYS  63  -6.500 -20.246   2.749
  497   3HZ   LYS  63          2HZ       LYS  63  -4.985 -19.748   3.315
  498    HA   PRO  64           HA       PRO  64   1.651 -16.026   2.240
  499   1HB   PRO  64          2HB       PRO  64   1.380 -18.813   3.264
  500   2HB   PRO  64          1HB       PRO  64   2.789 -17.750   3.257
  501   1HG   PRO  64          2HG       PRO  64   1.393 -18.184   5.493
  502   2HG   PRO  64          1HG       PRO  64   2.096 -16.598   5.136
  503   1HD   PRO  64          1HD       PRO  64  -0.737 -17.483   5.020
  504   2HD   PRO  64          2HD       PRO  64  -0.065 -15.877   5.369
  505    H    GLY  65           H        GLY  65   1.048 -15.982   0.123
  506   1HA   GLY  65          2HA       GLY  65   0.207 -16.699  -1.904
  507   2HA   GLY  65          1HA       GLY  65  -0.679 -17.950  -1.045
  508    HA   PRO  66           HA       PRO  66   2.315 -20.910  -2.375
  509   1HB   PRO  66          2HB       PRO  66   1.156 -21.945  -4.546
  510   2HB   PRO  66          1HB       PRO  66   0.415 -22.118  -2.952
  511   1HG   PRO  66          2HG       PRO  66  -0.248 -20.198  -5.154
  512   2HG   PRO  66          1HG       PRO  66  -1.343 -21.127  -4.118
  513   1HD   PRO  66          1HD       PRO  66  -0.696 -18.491  -3.704
  514   2HD   PRO  66          2HD       PRO  66  -1.235 -19.595  -2.429
  515    H    ASN  67           H        ASN  67   1.140 -18.766  -4.939
  516    HA   ASN  67           HA       ASN  67   3.833 -18.827  -6.140
  517   1HB   ASN  67          2HB       ASN  67   2.231 -17.931  -8.163
  518   2HB   ASN  67          1HB       ASN  67   2.733 -19.605  -7.952
  519   1HD2  ASN  67          1HD2      ASN  67   0.294 -17.458  -6.518
  520   2HD2  ASN  67          2HD2      ASN  67  -1.023 -18.563  -6.693
  521    H    CYS  68           H        CYS  68   1.275 -16.915  -4.859
  522    HA   CYS  68           HA       CYS  68   2.020 -14.422  -6.009
  523   1HB   CYS  68          2HB       CYS  68  -0.129 -15.310  -4.564
  524   2HB   CYS  68          1HB       CYS  68   0.716 -14.321  -3.377
  525    H    GLY  69           H        GLY  69   2.010 -14.940  -2.520
  526   1HA   GLY  69          1HA       GLY  69   3.414 -13.923  -0.957
  527   2HA   GLY  69          2HA       GLY  69   4.404 -13.317  -2.279
  528    H    PHE  70           H        PHE  70   3.890 -16.511  -2.876
  529    HA   PHE  70           HA       PHE  70   5.214 -18.357  -2.805
  530   1HB   PHE  70          2HB       PHE  70   6.969 -16.268  -3.082
  531   2HB   PHE  70          1HB       PHE  70   7.581 -17.069  -1.639
  532    HD1  PHE  70           HD1      PHE  70   6.410 -17.899  -5.080
  533    HD2  PHE  70           HD2      PHE  70   9.098 -18.770  -1.898
  534    HE1  PHE  70           HE1      PHE  70   7.531 -19.575  -6.491
  535    HE2  PHE  70           HE2      PHE  70  10.225 -20.446  -3.303
  536    HZ   PHE  70           HZ       PHE  70   9.441 -20.850  -5.603
  537    H    GLY  71           H        GLY  71   4.159 -16.763  -0.188
  538   1HA   GLY  71          1HA       GLY  71   5.150 -18.870   1.628
  539   2HA   GLY  71          2HA       GLY  71   3.573 -18.100   1.757
  540    H    LYS  72           H        LYS  72   4.271 -15.428   1.495
  541    HA   LYS  72           HA       LYS  72   6.332 -14.850   3.455
  542   1HB   LYS  72          2HB       LYS  72   4.535 -13.100   1.778
  543   2HB   LYS  72          1HB       LYS  72   5.631 -12.452   2.992
  544   1HG   LYS  72          2HG       LYS  72   6.841 -14.299   1.047
  545   2HG   LYS  72          1HG       LYS  72   6.265 -12.763   0.396
  546   1HD   LYS  72          2HD       LYS  72   7.629 -11.525   1.926
  547   2HD   LYS  72          1HD       LYS  72   8.073 -12.995   2.796
  548   1HE   LYS  72          2HE       LYS  72   8.670 -13.097  -0.062
  549   2HE   LYS  72          1HE       LYS  72   9.535 -11.822   0.796
  550   1HZ   LYS  72          1HZ       LYS  72   9.495 -14.677   1.612
  551   2HZ   LYS  72          3HZ       LYS  72  10.749 -13.940   0.748
  552   3HZ   LYS  72          2HZ       LYS  72  10.400 -13.440   2.326
  553    H    THR  73           H        THR  73   5.917 -13.515   5.333
  554    HA   THR  73           HA       THR  73   3.195 -13.873   6.403
  555    HB   THR  73           HB       THR  73   4.721 -13.688   8.646
  556    HG1  THR  73           HG1      THR  73   6.376 -15.445   8.014
  557   1HG2  THR  73          3HG2      THR  73   3.232 -15.696   7.250
  558   2HG2  THR  73          2HG2      THR  73   4.640 -16.434   8.012
  559   3HG2  THR  73          1HG2      THR  73   3.492 -15.515   8.985
  560    H    GLY  74           H        GLY  74   2.192 -12.099   7.136
  561   1HA   GLY  74          2HA       GLY  74   3.487  -9.897   8.348
  562   2HA   GLY  74          1HA       GLY  74   1.824  -9.921   7.776
  563    H    ILE  75           H        ILE  75   3.239  -7.620   7.537
  564    HA   ILE  75           HA       ILE  75   3.168  -7.192   4.706
  565    HB   ILE  75           HB       ILE  75   4.060  -5.297   6.882
  566   1HG1  ILE  75          1HG1      ILE  75   1.365  -5.725   5.578
  567   2HG1  ILE  75          2HG1      ILE  75   1.773  -5.996   7.268
  568   1HG2  ILE  75          1HG2      ILE  75   4.171  -5.104   4.051
  569   2HG2  ILE  75          3HG2      ILE  75   2.945  -3.978   4.635
  570   3HG2  ILE  75          2HG2      ILE  75   4.593  -3.889   5.258
  571   1HD1  ILE  75          2HD1      ILE  75   1.845  -3.315   5.913
  572   2HD1  ILE  75          1HD1      ILE  75   0.494  -3.925   6.869
  573   3HD1  ILE  75          3HD1      ILE  75   2.060  -3.647   7.632
  574    H    ILE  76           H        ILE  76   4.782  -7.319   3.305
  575    HA   ILE  76           HA       ILE  76   7.496  -7.721   4.317
  576    HB   ILE  76           HB       ILE  76   6.643  -7.986   1.444
  577   1HG1  ILE  76          2HG1      ILE  76   5.133  -9.452   2.511
  578   2HG1  ILE  76          1HG1      ILE  76   6.478 -10.481   2.031
  579   1HG2  ILE  76          1HG2      ILE  76   9.098  -8.182   2.753
  580   2HG2  ILE  76          3HG2      ILE  76   8.616  -9.845   2.416
  581   3HG2  ILE  76          2HG2      ILE  76   8.726  -8.675   1.101
  582   1HD1  ILE  76          2HD1      ILE  76   7.356 -10.060   4.413
  583   2HD1  ILE  76          1HD1      ILE  76   5.706  -9.538   4.755
  584   3HD1  ILE  76          3HD1      ILE  76   6.011 -11.178   4.182
  585    H    ASP  77           H        ASP  77   7.818  -5.489   4.866
  586    HA   ASP  77           HA       ASP  77   8.227  -3.740   2.531
  587   1HB   ASP  77          2HB       ASP  77   6.672  -2.650   3.911
  588   2HB   ASP  77          1HB       ASP  77   7.497  -3.142   5.386
  589    H    TYR  78           H        TYR  78  10.208  -2.971   2.100
  590    HA   TYR  78           HA       TYR  78  12.365  -3.661   3.982
  591   1HB   TYR  78          2HB       TYR  78  12.565  -3.199   0.998
  592   2HB   TYR  78          1HB       TYR  78  13.868  -3.717   2.062
  593    HD1  TYR  78           HD1      TYR  78  10.494  -4.759   0.869
  594    HD2  TYR  78           HD2      TYR  78  14.289  -5.986   2.348
  595    HE1  TYR  78           HE1      TYR  78   9.888  -7.106   0.458
  596    HE2  TYR  78           HE2      TYR  78  13.695  -8.337   1.940
  597    HH   TYR  78           HH       TYR  78  11.896  -9.502   0.177
  598    H    GLY  79           H        GLY  79  10.584  -1.106   2.828
  599   1HA   GLY  79          2HA       GLY  79  12.688   0.789   3.644
  600   2HA   GLY  79          1HA       GLY  79  10.954   1.098   3.710
  601    H    ILE  80           H        ILE  80  11.951   3.100   2.584
  602    HA   ILE  80           HA       ILE  80  11.050   3.202  -0.035
  603    HB   ILE  80           HB       ILE  80  13.204   5.003   1.043
  604   1HG1  ILE  80          2HG1      ILE  80  10.244   5.009   1.644
  605   2HG1  ILE  80          1HG1      ILE  80  11.564   4.838   2.793
  606   1HG2  ILE  80          1HG2      ILE  80  12.122   5.018  -1.387
  607   2HG2  ILE  80          3HG2      ILE  80  10.895   5.966  -0.548
  608   3HG2  ILE  80          2HG2      ILE  80  12.575   6.501  -0.549
  609   1HD1  ILE  80          2HD1      ILE  80  11.955   7.265   1.400
  610   2HD1  ILE  80          1HD1      ILE  80  10.272   7.198   1.920
  611   3HD1  ILE  80          3HD1      ILE  80  11.568   7.019   3.103
  612    H    ARG  81           H        ARG  81  12.228   3.567  -2.018
  613    HA   ARG  81           HA       ARG  81  14.823   2.170  -2.084
  614   1HB   ARG  81          2HB       ARG  81  12.608   2.118  -4.141
  615   2HB   ARG  81          1HB       ARG  81  14.201   1.408  -4.370
  616   1HG   ARG  81          2HG       ARG  81  13.168   0.405  -1.936
  617   2HG   ARG  81          1HG       ARG  81  11.899   0.272  -3.155
  618   1HD   ARG  81          2HD       ARG  81  14.724  -0.743  -3.443
  619   2HD   ARG  81          1HD       ARG  81  13.312  -1.732  -3.076
  620    HE   ARG  81           HE       ARG  81  12.696  -0.416  -5.407
  621   1HH1  ARG  81          1HH1      ARG  81  15.198  -2.589  -4.334
  622   2HH1  ARG  81          2HH1      ARG  81  15.445  -3.284  -5.900
  623   1HH2  ARG  81          1HH2      ARG  81  13.014  -1.325  -7.474
  624   2HH2  ARG  81          2HH2      ARG  81  14.204  -2.566  -7.686
  625    H    LEU  82           H        LEU  82  13.718   5.115  -2.127
  626    HA   LEU  82           HA       LEU  82  14.361   7.111  -3.008
  627   1HB   LEU  82          2HB       LEU  82  16.630   5.654  -2.652
  628   2HB   LEU  82          1HB       LEU  82  16.745   6.035  -4.356
  629    HG   LEU  82           HG       LEU  82  17.968   7.674  -3.074
  630   1HD1  LEU  82          1HD1      LEU  82  16.780   8.440  -5.082
  631   2HD1  LEU  82          3HD1      LEU  82  15.389   8.865  -4.083
  632   3HD1  LEU  82          2HD1      LEU  82  16.921   9.711  -3.867
  633   1HD2  LEU  82          1HD2      LEU  82  15.373   8.093  -1.605
  634   2HD2  LEU  82          3HD2      LEU  82  16.894   7.496  -0.941
  635   3HD2  LEU  82          2HD2      LEU  82  16.767   9.167  -1.491
  636    H    ASN  83           H        ASN  83  12.529   5.750  -4.539
  637    HA   ASN  83           HA       ASN  83  12.865   6.997  -7.070
  638   1HB   ASN  83          2HB       ASN  83  14.311   4.986  -7.378
  639   2HB   ASN  83          1HB       ASN  83  12.900   3.972  -7.090
  640   1HD2  ASN  83          1HD2      ASN  83  14.189   6.484  -9.195
  641   2HD2  ASN  83          2HD2      ASN  83  13.300   6.015 -10.600
  642    H    ARG  84           H        ARG  84  10.873   7.797  -6.040
  643    HA   ARG  84           HA       ARG  84   8.621   6.135  -5.651
  644   1HB   ARG  84          2HB       ARG  84   8.367   9.035  -6.356
  645   2HB   ARG  84          1HB       ARG  84   7.439   8.085  -5.206
  646   1HG   ARG  84          2HG       ARG  84   8.702   8.880  -3.581
  647   2HG   ARG  84          1HG       ARG  84  10.090   8.051  -4.287
  648   1HD   ARG  84          2HD       ARG  84  10.994   9.969  -4.962
  649   2HD   ARG  84          1HD       ARG  84   9.486  10.490  -5.712
  650    HE   ARG  84           HE       ARG  84  10.386  11.090  -2.999
  651   1HH1  ARG  84          1HH1      ARG  84   7.943  11.361  -5.467
  652   2HH1  ARG  84          2HH1      ARG  84   7.118  12.669  -4.688
  653   1HH2  ARG  84          1HH2      ARG  84   9.306  12.813  -1.966
  654   2HH2  ARG  84          2HH2      ARG  84   7.892  13.494  -2.700
  655    H    SER  85           H        SER  85  10.178   6.968  -8.458
  656    HA   SER  85           HA       SER  85   7.937   7.379 -10.181
  657   1HB   SER  85          2HB       SER  85   9.583   7.062 -12.010
  658   2HB   SER  85          1HB       SER  85  10.136   8.224 -10.804
  659    HG   SER  85           HG       SER  85  11.298   5.944 -11.596
  660    H    GLU  86           H        GLU  86   8.436   4.811  -8.425
  661    HA   GLU  86           HA       GLU  86   8.432   2.684 -10.337
  662   1HB   GLU  86          2HB       GLU  86   7.908   2.846  -7.378
  663   2HB   GLU  86          1HB       GLU  86   7.691   1.348  -8.270
  664   1HG   GLU  86          2HG       GLU  86  10.266   2.775  -8.590
  665   2HG   GLU  86          1HG       GLU  86   9.959   1.964  -7.056
  666    H    ARG  87           H        ARG  87   6.536   0.982 -10.001
  667    HA   ARG  87           HA       ARG  87   3.972   2.417 -10.089
  668   1HB   ARG  87          2HB       ARG  87   4.666   0.191 -11.997
  669   2HB   ARG  87          1HB       ARG  87   3.261   1.245 -12.030
  670   1HG   ARG  87          2HG       ARG  87   5.330   3.028 -12.195
  671   2HG   ARG  87          1HG       ARG  87   5.937   1.649 -13.112
  672   1HD   ARG  87          2HD       ARG  87   3.160   2.273 -13.715
  673   2HD   ARG  87          1HD       ARG  87   4.251   3.616 -14.054
  674    HE   ARG  87           HE       ARG  87   5.351   1.257 -15.106
  675   1HH1  ARG  87          1HH1      ARG  87   2.691   3.441 -15.633
  676   2HH1  ARG  87          2HH1      ARG  87   2.598   3.124 -17.333
  677   1HH2  ARG  87          2HH2      ARG  87   5.239   0.832 -17.344
  678   2HH2  ARG  87          1HH2      ARG  87   4.048   1.640 -18.307
  679    H    TRP  88           H        TRP  88   2.764   1.666  -8.527
  680    HA   TRP  88           HA       TRP  88   2.312  -1.187  -8.238
  681   1HB   TRP  88          2HB       TRP  88   3.018   0.356  -5.751
  682   2HB   TRP  88          1HB       TRP  88   2.923  -1.386  -5.973
  683    HD1  TRP  88           HD1      TRP  88   5.343   1.439  -5.977
  684    HE1  TRP  88           HE1      TRP  88   7.680   0.598  -6.655
  685    HE3  TRP  88           HE3      TRP  88   4.074  -3.216  -7.671
  686    HZ2  TRP  88           HZ2      TRP  88   8.833  -1.730  -7.760
  687    HZ3  TRP  88           HZ3      TRP  88   5.853  -4.688  -8.520
  688    HH2  TRP  88           HH2      TRP  88   8.183  -3.959  -8.563
  689    H    ASP  89           H        ASP  89   1.060  -0.819  -5.624
  690    HA   ASP  89           HA       ASP  89  -1.393   0.481  -6.544
  691   1HB   ASP  89          2HB       ASP  89  -1.690  -0.779  -3.983
  692   2HB   ASP  89          1HB       ASP  89  -2.444  -1.204  -5.516
  693    H    ALA  90           H        ALA  90  -2.635   1.174  -4.248
  694    HA   ALA  90           HA       ALA  90  -0.819   2.905  -2.749
  695   1HB   ALA  90          3HB       ALA  90  -1.549   4.283  -4.606
  696   2HB   ALA  90          1HB       ALA  90  -2.257   4.865  -3.099
  697   3HB   ALA  90          2HB       ALA  90  -3.237   3.932  -4.230
  698    H    TYR  91           H        TYR  91  -1.232   2.602  -0.656
  699    HA   TYR  91           HA       TYR  91  -3.786   1.520   0.195
  700   1HB   TYR  91          2HB       TYR  91  -1.150   2.022   1.557
  701   2HB   TYR  91          1HB       TYR  91  -2.589   1.632   2.486
  702    HD1  TYR  91           HD1      TYR  91  -3.917  -0.508   1.389
  703    HD2  TYR  91           HD2      TYR  91   0.262   0.266   1.153
  704    HE1  TYR  91           HE1      TYR  91  -3.500  -2.899   1.012
  705    HE2  TYR  91           HE2      TYR  91   0.688  -2.125   0.777
  706    HH   TYR  91           HH       TYR  91  -1.642  -4.292  -0.104
  707    H    CYS  92           H        CYS  92  -5.423   2.839   0.663
  708    HA   CYS  92           HA       CYS  92  -4.880   5.617   1.371
  709   1HB   CYS  92          2HB       CYS  92  -7.184   4.125   0.253
  710   2HB   CYS  92          1HB       CYS  92  -7.574   5.491   1.293
  711    H    TYR  93           H        TYR  93  -5.930   6.643   3.162
  712    HA   TYR  93           HA       TYR  93  -7.096   4.989   5.227
  713   1HB   TYR  93          2HB       TYR  93  -4.648   4.764   5.608
  714   2HB   TYR  93          1HB       TYR  93  -4.539   6.512   5.777
  715    HD1  TYR  93           HD1      TYR  93  -6.433   7.442   7.522
  716    HD2  TYR  93           HD2      TYR  93  -4.620   3.594   7.594
  717    HE1  TYR  93           HE1      TYR  93  -6.943   7.257   9.920
  718    HE2  TYR  93           HE2      TYR  93  -5.125   3.396   9.993
  719    HH   TYR  93           HH       TYR  93  -7.208   5.593  11.623
  720    H    ASN  94           H        ASN  94  -8.912   6.223   5.284
  721    HA   ASN  94           HA       ASN  94  -8.559   9.037   6.069
  722   1HB   ASN  94          2HB       ASN  94 -10.907   8.036   4.474
  723   2HB   ASN  94          1HB       ASN  94 -10.411   9.702   4.746
  724   1HD2  ASN  94          2HD2      ASN  94 -10.839   9.359   2.288
  725   2HD2  ASN  94          1HD2      ASN  94  -9.420   9.063   1.347
  726    HA   PRO  95           HA       PRO  95 -10.730   7.980   9.774
  727   1HB   PRO  95          2HB       PRO  95 -11.910  10.695   9.437
  728   2HB   PRO  95          1HB       PRO  95 -11.099   9.985  10.839
  729   1HG   PRO  95          2HG       PRO  95  -9.856  11.774   9.299
  730   2HG   PRO  95          1HG       PRO  95  -8.984  10.394   9.991
  731   1HD   PRO  95          2HD       PRO  95  -9.913  10.843   7.196
  732   2HD   PRO  95          1HD       PRO  95  -8.464  10.005   7.786
  733    H    HIS  96           H        HIS  96 -12.389   9.474   7.046
  734    HA   HIS  96           HA       HIS  96 -14.748   7.828   7.654
  735   1HB   HIS  96          2HB       HIS  96 -14.774  10.702   6.706
  736   2HB   HIS  96          1HB       HIS  96 -16.196   9.674   6.859
  737    HD1  HIS  96           HD1      HIS  96 -16.012   8.499   9.561
  738    HD2  HIS  96           HD2      HIS  96 -14.815  12.404   8.797
  739    HE1  HIS  96           HE1      HIS  96 -16.104   9.677  11.781
  740    HE2  HIS  96           HE2      HIS  96 -15.460  12.060  11.278
  741    H    ALA  97           H        ALA  97 -12.613   9.252   5.317
  742    HA   ALA  97           HA       ALA  97 -12.533   9.145   3.016
  743   1HB   ALA  97          1HB       ALA  97 -12.759   6.555   2.399
  744   2HB   ALA  97          3HB       ALA  97 -11.345   7.226   3.215
  745   3HB   ALA  97          2HB       ALA  97 -12.603   6.416   4.150
  746    H    LYS  98           H        LYS  98 -14.856  10.221   3.300
  747    HA   LYS  98           HA       LYS  98 -16.692   8.625   1.638
  748   1HB   LYS  98          2HB       LYS  98 -17.552   8.848   3.935
  749   2HB   LYS  98          1HB       LYS  98 -17.448  10.598   3.802
  750   1HG   LYS  98          2HG       LYS  98 -19.695  10.119   3.423
  751   2HG   LYS  98          1HG       LYS  98 -19.026  10.364   1.809
  752   1HD   LYS  98          2HD       LYS  98 -19.713   8.338   1.212
  753   2HD   LYS  98          1HD       LYS  98 -18.713   7.623   2.477
  754   1HE   LYS  98          2HE       LYS  98 -20.958   8.679   3.779
  755   2HE   LYS  98          1HE       LYS  98 -21.573   7.875   2.336
  756   1HZ   LYS  98          1HZ       LYS  98 -20.030   5.970   3.094
  757   2HZ   LYS  98          3HZ       LYS  98 -20.097   6.726   4.607
  758   3HZ   LYS  98          2HZ       LYS  98 -21.518   6.180   3.871

  No H/Q in entry =         758
  Start of MODEL    2
    1    H1   GLY   1          2H        GLY   1 -11.616   3.833   7.240
    2    H2   GLY   1          1H        GLY   1 -12.301   2.825   8.413
    3    H3   GLY   1          3H        GLY   1 -11.671   4.332   8.856
    4   1HA   GLY   1          2HA       GLY   1 -10.359   1.871   8.798
    5   2HA   GLY   1          1HA       GLY   1  -9.703   3.438   9.241
    6    H    VAL   2           H        VAL   2  -8.085   1.587   8.083
    7    HA   VAL   2           HA       VAL   2  -7.360   2.947   5.618
    8    HB   VAL   2           HB       VAL   2  -5.500   2.659   6.999
    9   1HG1  VAL   2          1HG1      VAL   2  -6.908   0.513   8.061
   10   2HG1  VAL   2          3HG1      VAL   2  -5.435  -0.199   7.402
   11   3HG1  VAL   2          2HG1      VAL   2  -5.332   1.110   8.580
   12   1HG2  VAL   2          3HG2      VAL   2  -5.464   1.607   4.532
   13   2HG2  VAL   2          2HG2      VAL   2  -4.043   1.694   5.575
   14   3HG2  VAL   2          1HG2      VAL   2  -4.970   0.197   5.469
   15    H    TYR   3           H        TYR   3  -7.035   1.932   3.635
   16    HA   TYR   3           HA       TYR   3  -7.739  -0.858   3.316
   17   1HB   TYR   3          2HB       TYR   3  -9.485  -0.406   1.631
   18   2HB   TYR   3          1HB       TYR   3  -9.935   0.197   3.221
   19    HD1  TYR   3           HD1      TYR   3  -9.606   2.692   3.683
   20    HD2  TYR   3           HD2      TYR   3  -9.484   1.018  -0.226
   21    HE1  TYR   3           HE1      TYR   3 -10.026   4.918   2.723
   22    HE2  TYR   3           HE2      TYR   3  -9.903   3.237  -1.196
   23    HH   TYR   3           HH       TYR   3  -9.712   5.557  -0.641
   24    H    HIS   4           H        HIS   4  -7.892  -1.180   0.707
   25    HA   HIS   4           HA       HIS   4  -5.382  -0.018  -0.294
   26   1HB   HIS   4          2HB       HIS   4  -5.046  -2.329  -0.187
   27   2HB   HIS   4          1HB       HIS   4  -6.689  -2.688  -0.709
   28    HD1  HIS   4           HD1      HIS   4  -7.077  -3.004  -3.177
   29    HD2  HIS   4           HD2      HIS   4  -3.296  -1.508  -2.319
   30    HE1  HIS   4           HE1      HIS   4  -5.813  -3.087  -5.348
   31    HE2  HIS   4           HE2      HIS   4  -3.497  -2.272  -4.782
   32    H    ARG   5           H        ARG   5  -5.216   0.401  -2.582
   33    HA   ARG   5           HA       ARG   5  -7.629   0.580  -4.153
   34   1HB   ARG   5          2HB       ARG   5  -6.501   2.903  -2.750
   35   2HB   ARG   5          1HB       ARG   5  -6.774   3.161  -4.466
   36   1HG   ARG   5          2HG       ARG   5  -8.965   1.939  -2.881
   37   2HG   ARG   5          1HG       ARG   5  -8.635   3.658  -2.663
   38   1HD   ARG   5          2HD       ARG   5  -8.774   3.906  -5.153
   39   2HD   ARG   5          1HD       ARG   5  -9.331   2.235  -5.225
   40    HE   ARG   5           HE       ARG   5 -10.825   4.074  -3.528
   41   1HH1  ARG   5          2HH1      ARG   5 -10.586   2.320  -6.527
   42   2HH1  ARG   5          1HH1      ARG   5 -12.270   2.473  -6.902
   43   1HH2  ARG   5          2HH2      ARG   5 -13.046   4.281  -4.011
   44   2HH2  ARG   5          1HH2      ARG   5 -13.668   3.588  -5.471
   45    H    GLU   6           H        GLU   6  -7.223   0.927  -6.364
   46    HA   GLU   6           HA       GLU   6  -4.377   0.727  -7.100
   47   1HB   GLU   6          2HB       GLU   6  -5.071  -0.497  -9.084
   48   2HB   GLU   6          1HB       GLU   6  -5.692  -1.282  -7.639
   49   1HG   GLU   6          2HG       GLU   6  -7.313   0.599  -9.333
   50   2HG   GLU   6          1HG       GLU   6  -7.282  -1.149  -9.566
   51    H    ALA   7           H        ALA   7  -4.396   1.240  -9.720
   52    HA   ALA   7           HA       ALA   7  -5.033   4.082  -9.788
   53   1HB   ALA   7          3HB       ALA   7  -3.060   4.161 -10.806
   54   2HB   ALA   7          2HB       ALA   7  -3.005   2.403 -10.940
   55   3HB   ALA   7          1HB       ALA   7  -3.797   3.358 -12.193
   56    H    ARG   8           H        ARG   8  -6.017   5.050 -11.688
   57    HA   ARG   8           HA       ARG   8  -8.455   3.849 -12.381
   58   1HB   ARG   8          2HB       ARG   8  -6.938   6.163 -13.582
   59   2HB   ARG   8          1HB       ARG   8  -8.530   5.678 -14.149
   60   1HG   ARG   8          2HG       ARG   8  -9.233   7.199 -12.660
   61   2HG   ARG   8          1HG       ARG   8  -9.011   5.881 -11.509
   62   1HD   ARG   8          2HD       ARG   8  -6.735   6.704 -11.045
   63   2HD   ARG   8          1HD       ARG   8  -7.015   8.049 -12.149
   64    HE   ARG   8           HE       ARG   8  -8.539   7.631  -9.658
   65   1HH1  ARG   8          1HH1      ARG   8  -7.020   9.695 -12.017
   66   2HH1  ARG   8          2HH1      ARG   8  -7.432  11.160 -11.191
   67   1HH2  ARG   8          1HH2      ARG   8  -9.087   9.554  -8.562
   68   2HH2  ARG   8          2HH2      ARG   8  -8.606  11.080  -9.226
   69    H    SER   9           H        SER   9  -5.310   3.492 -13.692
   70    HA   SER   9           HA       SER   9  -6.311   2.391 -16.206
   71   1HB   SER   9          2HB       SER   9  -3.458   2.795 -15.275
   72   2HB   SER   9          1HB       SER   9  -3.964   2.319 -16.896
   73    HG   SER   9           HG       SER   9  -3.534   4.699 -16.238
   74    H    GLY  10           H        GLY  10  -4.929   1.413 -13.164
   75   1HA   GLY  10          2HA       GLY  10  -4.567  -1.335 -14.112
   76   2HA   GLY  10          1HA       GLY  10  -5.771  -1.054 -12.862
   77    H    LYS  11           H        LYS  11  -4.337  -2.631 -11.742
   78    HA   LYS  11           HA       LYS  11  -2.886  -1.406  -9.712
   79   1HB   LYS  11          2HB       LYS  11  -3.726  -3.550  -9.255
   80   2HB   LYS  11          1HB       LYS  11  -3.025  -4.235 -10.715
   81   1HG   LYS  11          2HG       LYS  11  -0.789  -4.005  -9.756
   82   2HG   LYS  11          1HG       LYS  11  -1.492  -3.324  -8.286
   83   1HD   LYS  11          2HD       LYS  11  -1.353  -5.487  -7.610
   84   2HD   LYS  11          1HD       LYS  11  -2.919  -5.575  -8.420
   85   1HE   LYS  11          2HE       LYS  11  -0.247  -6.317  -9.607
   86   2HE   LYS  11          1HE       LYS  11  -1.502  -7.439  -9.079
   87   1HZ   LYS  11          2HZ       LYS  11  -2.960  -6.195 -10.757
   88   2HZ   LYS  11          1HZ       LYS  11  -1.506  -5.629 -11.408
   89   3HZ   LYS  11          3HZ       LYS  11  -1.819  -7.290 -11.353
   90    H    TYR  12           H        TYR  12  -0.649  -1.397  -9.214
   91    HA   TYR  12           HA       TYR  12   1.559  -1.058  -9.630
   92   1HB   TYR  12          2HB       TYR  12   0.980  -2.966 -11.901
   93   2HB   TYR  12          1HB       TYR  12   2.595  -2.390 -11.501
   94    HD1  TYR  12           HD1      TYR  12   1.337  -2.485  -8.405
   95    HD2  TYR  12           HD2      TYR  12   2.222  -5.217 -11.545
   96    HE1  TYR  12           HE1      TYR  12   1.572  -4.293  -6.757
   97    HE2  TYR  12           HE2      TYR  12   2.459  -7.033  -9.905
   98    HH   TYR  12           HH       TYR  12   2.465  -6.425  -6.475
   99    H    LYS  13           H        LYS  13   0.144   1.037 -10.302
  100    HA   LYS  13           HA       LYS  13   1.569   2.118 -12.579
  101   1HB   LYS  13          2HB       LYS  13  -1.428   1.846 -12.514
  102   2HB   LYS  13          1HB       LYS  13  -0.638   3.094 -13.468
  103   1HG   LYS  13          2HG       LYS  13   0.704   1.173 -14.510
  104   2HG   LYS  13          1HG       LYS  13  -0.527   0.122 -13.807
  105   1HD   LYS  13          2HD       LYS  13  -2.206   1.719 -14.964
  106   2HD   LYS  13          1HD       LYS  13  -0.816   2.209 -15.934
  107   1HE   LYS  13          2HE       LYS  13  -0.468  -0.278 -16.382
  108   2HE   LYS  13          1HE       LYS  13  -2.089  -0.503 -15.726
  109   1HZ   LYS  13          3HZ       LYS  13  -2.579   1.413 -17.471
  110   2HZ   LYS  13          2HZ       LYS  13  -1.258   0.696 -18.247
  111   3HZ   LYS  13          1HZ       LYS  13  -2.629  -0.226 -17.886
  112    H    LEU  14           H        LEU  14   0.680   2.362  -9.522
  113    HA   LEU  14           HA       LEU  14   0.308   5.281  -9.551
  114   1HB   LEU  14          2HB       LEU  14  -0.515   3.113  -7.673
  115   2HB   LEU  14          1HB       LEU  14  -0.242   4.721  -7.038
  116    HG   LEU  14           HG       LEU  14  -2.080   4.333  -9.371
  117   1HD1  LEU  14          2HD1      LEU  14  -2.534   2.813  -7.254
  118   2HD1  LEU  14          1HD1      LEU  14  -3.202   4.319  -6.623
  119   3HD1  LEU  14          3HD1      LEU  14  -3.843   3.626  -8.113
  120   1HD2  LEU  14          3HD2      LEU  14  -1.921   6.326  -7.116
  121   2HD2  LEU  14          2HD2      LEU  14  -1.482   6.599  -8.802
  122   3HD2  LEU  14          1HD2      LEU  14  -3.166   6.309  -8.366
  123    H    THR  15           H        THR  15   1.853   6.561  -8.780
  124    HA   THR  15           HA       THR  15   4.194   5.302  -7.525
  125    HB   THR  15           HB       THR  15   5.540   6.941  -8.410
  126    HG1  THR  15           HG1      THR  15   4.402   9.016  -9.153
  127   1HG2  THR  15          1HG2      THR  15   3.601   5.934 -10.167
  128   2HG2  THR  15          3HG2      THR  15   3.770   7.643 -10.569
  129   3HG2  THR  15          2HG2      THR  15   5.184   6.589 -10.583
  130    H    TYR  16           H        TYR  16   5.122   6.238  -5.639
  131    HA   TYR  16           HA       TYR  16   3.576   6.791  -3.535
  132   1HB   TYR  16          2HB       TYR  16   5.972   6.615  -3.282
  133   2HB   TYR  16          1HB       TYR  16   6.217   8.124  -4.155
  134    HD1  TYR  16           HD1      TYR  16   4.685   6.728  -1.062
  135    HD2  TYR  16           HD2      TYR  16   6.302  10.155  -3.005
  136    HE1  TYR  16           HE1      TYR  16   4.593   7.970   1.059
  137    HE2  TYR  16           HE2      TYR  16   6.216  11.403  -0.887
  138    HH   TYR  16           HH       TYR  16   4.749  11.202   1.309
  139    H    ALA  17           H        ALA  17   4.629   9.213  -5.893
  140    HA   ALA  17           HA       ALA  17   3.384  11.415  -4.607
  141   1HB   ALA  17          2HB       ALA  17   4.151  11.115  -7.508
  142   2HB   ALA  17          1HB       ALA  17   3.814  12.627  -6.665
  143   3HB   ALA  17          3HB       ALA  17   5.221  11.663  -6.217
  144    H    GLU  18           H        GLU  18   2.379   9.299  -7.291
  145    HA   GLU  18           HA       GLU  18  -0.089  10.614  -7.760
  146   1HB   GLU  18          2HB       GLU  18   0.436   7.707  -8.323
  147   2HB   GLU  18          1HB       GLU  18  -0.565   8.832  -9.225
  148   1HG   GLU  18          2HG       GLU  18   1.578  10.070  -9.774
  149   2HG   GLU  18          1HG       GLU  18   2.425   8.659  -9.143
  150    H    ALA  19           H        ALA  19   0.699   7.543  -6.187
  151    HA   ALA  19           HA       ALA  19  -1.713   6.735  -5.245
  152   1HB   ALA  19          2HB       ALA  19  -0.270   5.192  -4.528
  153   2HB   ALA  19          3HB       ALA  19  -0.038   6.214  -3.110
  154   3HB   ALA  19          1HB       ALA  19   1.061   6.349  -4.484
  155    H    LYS  20           H        LYS  20   0.371   9.232  -3.880
  156    HA   LYS  20           HA       LYS  20  -1.183   9.682  -1.542
  157   1HB   LYS  20          2HB       LYS  20   1.272  10.326  -2.011
  158   2HB   LYS  20          1HB       LYS  20   0.603  11.730  -2.831
  159   1HG   LYS  20          2HG       LYS  20  -0.628  12.243  -0.687
  160   2HG   LYS  20          1HG       LYS  20   0.365  10.998   0.072
  161   1HD   LYS  20          2HD       LYS  20   1.887  12.587   0.427
  162   2HD   LYS  20          1HD       LYS  20   2.187  12.564  -1.313
  163   1HE   LYS  20          2HE       LYS  20   0.788  14.399  -1.695
  164   2HE   LYS  20          1HE       LYS  20  -0.006  14.233  -0.131
  165   1HZ   LYS  20          3HZ       LYS  20   2.448  14.680   0.690
  166   2HZ   LYS  20          2HZ       LYS  20   2.546  15.483  -0.794
  167   3HZ   LYS  20          1HZ       LYS  20   1.378  15.943   0.339
  168    H    ALA  21           H        ALA  21  -1.121  11.102  -4.767
  169    HA   ALA  21           HA       ALA  21  -2.821  13.276  -4.278
  170   1HB   ALA  21          2HB       ALA  21  -3.311  13.104  -6.763
  171   2HB   ALA  21          3HB       ALA  21  -2.236  11.704  -6.771
  172   3HB   ALA  21          1HB       ALA  21  -1.618  13.288  -6.303
  173    H    VAL  22           H        VAL  22  -3.528   9.955  -5.264
  174    HA   VAL  22           HA       VAL  22  -6.302  10.273  -5.618
  175    HB   VAL  22           HB       VAL  22  -4.506   7.932  -5.186
  176   1HG1  VAL  22          1HG1      VAL  22  -6.424   7.426  -3.771
  177   2HG1  VAL  22          3HG1      VAL  22  -7.518   7.770  -5.110
  178   3HG1  VAL  22          2HG1      VAL  22  -6.414   6.398  -5.203
  179   1HG2  VAL  22          3HG2      VAL  22  -6.499   8.700  -7.313
  180   2HG2  VAL  22          2HG2      VAL  22  -4.742   8.806  -7.420
  181   3HG2  VAL  22          1HG2      VAL  22  -5.527   7.229  -7.326
  182    H    CYS  23           H        CYS  23  -4.428   9.142  -2.830
  183    HA   CYS  23           HA       CYS  23  -6.670   8.723  -1.154
  184   1HB   CYS  23          2HB       CYS  23  -4.165   7.947  -0.916
  185   2HB   CYS  23          1HB       CYS  23  -3.997   9.455  -0.023
  186    H    GLU  24           H        GLU  24  -4.280  11.359  -1.245
  187    HA   GLU  24           HA       GLU  24  -5.733  12.994   0.588
  188   1HB   GLU  24          2HB       GLU  24  -3.232  13.082   0.095
  189   2HB   GLU  24          1HB       GLU  24  -3.652  13.946  -1.376
  190   1HG   GLU  24          2HG       GLU  24  -4.282  15.834  -0.258
  191   2HG   GLU  24          1HG       GLU  24  -4.722  14.954   1.204
  192    H    PHE  25           H        PHE  25  -6.454  12.113  -2.479
  193    HA   PHE  25           HA       PHE  25  -7.216  14.523  -3.723
  194   1HB   PHE  25          2HB       PHE  25  -7.055  11.962  -4.545
  195   2HB   PHE  25          1HB       PHE  25  -8.792  12.079  -4.291
  196    HD1  PHE  25           HD1      PHE  25  -5.960  13.714  -6.040
  197    HD2  PHE  25           HD2      PHE  25 -10.159  13.042  -5.893
  198    HE1  PHE  25           HE1      PHE  25  -6.202  14.800  -8.234
  199    HE2  PHE  25           HE2      PHE  25 -10.413  14.129  -8.089
  200    HZ   PHE  25           HZ       PHE  25  -8.432  15.010  -9.262
  201    H    GLU  26           H        GLU  26  -9.057  12.153  -1.847
  202    HA   GLU  26           HA       GLU  26 -11.188  14.161  -1.542
  203   1HB   GLU  26          2HB       GLU  26 -11.797  11.322  -0.990
  204   2HB   GLU  26          1HB       GLU  26 -12.773  12.553  -1.782
  205   1HG   GLU  26          2HG       GLU  26 -11.331  12.337  -3.782
  206   2HG   GLU  26          1HG       GLU  26 -10.488  11.016  -2.984
  207    H    GLY  27           H        GLY  27  -9.510  14.798   0.194
  208   1HA   GLY  27          1HA       GLY  27 -10.602  14.455   2.696
  209   2HA   GLY  27          2HA       GLY  27  -8.948  14.969   2.413
  210    H    GLY  28           H        GLY  28  -7.862  12.702   1.289
  211   1HA   GLY  28          2HA       GLY  28  -7.735  10.294   1.784
  212   2HA   GLY  28          1HA       GLY  28  -8.193  10.696   3.436
  213    H    HIS  29           H        HIS  29  -6.096   9.262   3.520
  214    HA   HIS  29           HA       HIS  29  -3.666  10.820   3.190
  215   1HB   HIS  29          2HB       HIS  29  -3.505   9.765   5.823
  216   2HB   HIS  29          1HB       HIS  29  -3.462  11.452   5.320
  217    HD1  HIS  29           HD1      HIS  29  -5.951  12.572   5.059
  218    HD2  HIS  29           HD2      HIS  29  -5.644   9.126   7.364
  219    HE1  HIS  29           HE1      HIS  29  -8.035  12.517   6.467
  220    HE2  HIS  29           HE2      HIS  29  -7.793  10.461   7.904
  221    H    LEU  30           H        LEU  30  -1.950   9.571   2.743
  222    HA   LEU  30           HA       LEU  30  -2.144   6.955   1.988
  223   1HB   LEU  30          2HB       LEU  30  -0.105   8.874   2.241
  224   2HB   LEU  30          1HB       LEU  30   0.479   7.441   3.064
  225    HG   LEU  30           HG       LEU  30  -0.651   7.288   0.290
  226   1HD1  LEU  30          1HD1      LEU  30   1.740   8.649   1.085
  227   2HD1  LEU  30          3HD1      LEU  30   2.152   7.217   0.141
  228   3HD1  LEU  30          2HD1      LEU  30   1.062   8.434  -0.528
  229   1HD2  LEU  30          2HD2      LEU  30   0.330   5.423   2.170
  230   2HD2  LEU  30          1HD2      LEU  30  -0.164   5.133   0.500
  231   3HD2  LEU  30          3HD2      LEU  30   1.517   5.525   0.867
  232    H    ALA  31           H        ALA  31  -1.837   4.972   2.901
  233    HA   ALA  31           HA       ALA  31  -2.148   4.815   5.774
  234   1HB   ALA  31          1HB       ALA  31  -2.891   3.205   3.572
  235   2HB   ALA  31          3HB       ALA  31  -1.817   2.241   4.586
  236   3HB   ALA  31          2HB       ALA  31  -3.271   2.964   5.279
  237    H    THR  32           H        THR  32  -0.709   3.811   7.196
  238    HA   THR  32           HA       THR  32   2.061   3.727   6.234
  239    HB   THR  32           HB       THR  32   2.754   3.940   8.536
  240    HG1  THR  32           HG1      THR  32   1.142   4.084  10.192
  241   1HG2  THR  32          2HG2      THR  32   0.673   5.837   7.537
  242   2HG2  THR  32          1HG2      THR  32   1.370   6.074   9.138
  243   3HG2  THR  32          3HG2      THR  32   2.411   6.070   7.716
  244    H    TYR  33           H        TYR  33   3.314   2.208   8.022
  245    HA   TYR  33           HA       TYR  33   2.685  -0.445   7.189
  246   1HB   TYR  33          2HB       TYR  33   4.998   0.277   7.610
  247   2HB   TYR  33          1HB       TYR  33   4.617   0.520   9.307
  248    HD1  TYR  33           HD1      TYR  33   4.455  -2.174   6.720
  249    HD2  TYR  33           HD2      TYR  33   5.164  -1.158  10.791
  250    HE1  TYR  33           HE1      TYR  33   5.062  -4.505   7.187
  251    HE2  TYR  33           HE2      TYR  33   5.777  -3.491  11.271
  252    HH   TYR  33           HH       TYR  33   6.257  -5.819   8.765
  253    H    LYS  34           H        LYS  34   2.973   0.907  10.454
  254    HA   LYS  34           HA       LYS  34   1.792  -1.123  11.866
  255   1HB   LYS  34          2HB       LYS  34   1.549   1.838  12.424
  256   2HB   LYS  34          1HB       LYS  34   1.247   0.556  13.586
  257   1HG   LYS  34          2HG       LYS  34   3.626  -0.154  13.297
  258   2HG   LYS  34          1HG       LYS  34   3.873   1.299  12.325
  259   1HD   LYS  34          2HD       LYS  34   3.254   2.701  14.196
  260   2HD   LYS  34          1HD       LYS  34   2.878   1.280  15.172
  261   1HE   LYS  34          2HE       LYS  34   4.988   1.184  15.847
  262   2HE   LYS  34          1HE       LYS  34   5.513   0.973  14.177
  263   1HZ   LYS  34          3HZ       LYS  34   5.050   3.592  15.497
  264   2HZ   LYS  34          2HZ       LYS  34   6.566   2.883  15.248
  265   3HZ   LYS  34          1HZ       LYS  34   5.625   3.355  13.923
  266    H    GLN  35           H        GLN  35   0.231   1.534  10.136
  267    HA   GLN  35           HA       GLN  35  -2.394   1.017  11.033
  268   1HB   GLN  35          2HB       GLN  35  -1.345   2.379   8.551
  269   2HB   GLN  35          1HB       GLN  35  -3.047   2.326   8.981
  270   1HG   GLN  35          2HG       GLN  35  -2.524   3.482  11.091
  271   2HG   GLN  35          1HG       GLN  35  -0.840   3.589  10.585
  272   1HE2  GLN  35          1HE2      GLN  35  -2.026   5.875  11.194
  273   2HE2  GLN  35          2HE2      GLN  35  -2.392   6.799   9.779
  274    H    LEU  36           H        LEU  36  -0.737   0.148   8.002
  275    HA   LEU  36           HA       LEU  36  -2.803  -1.371   6.894
  276   1HB   LEU  36          2HB       LEU  36  -0.193  -0.715   6.197
  277   2HB   LEU  36          1HB       LEU  36  -0.163  -2.461   6.334
  278    HG   LEU  36           HG       LEU  36  -0.638  -1.514   4.031
  279   1HD1  LEU  36          2HD1      LEU  36  -1.358  -3.832   5.140
  280   2HD1  LEU  36          1HD1      LEU  36  -2.958  -3.194   4.763
  281   3HD1  LEU  36          3HD1      LEU  36  -1.767  -3.399   3.480
  282   1HD2  LEU  36          1HD2      LEU  36  -2.501   0.000   5.384
  283   2HD2  LEU  36          3HD2      LEU  36  -2.399  -0.207   3.636
  284   3HD2  LEU  36          2HD2      LEU  36  -3.476  -1.233   4.583
  285    H    GLU  37           H        GLU  37  -0.536  -2.066   9.406
  286    HA   GLU  37           HA       GLU  37  -0.782  -4.899   9.401
  287   1HB   GLU  37          2HB       GLU  37   1.093  -3.675  10.467
  288   2HB   GLU  37          1HB       GLU  37  -0.026  -3.051  11.669
  289   1HG   GLU  37          2HG       GLU  37  -0.525  -5.617  12.013
  290   2HG   GLU  37          1HG       GLU  37   1.104  -5.773  11.359
  291    H    ALA  38           H        ALA  38  -2.046  -2.452  11.622
  292    HA   ALA  38           HA       ALA  38  -3.734  -4.073  13.089
  293   1HB   ALA  38          1HB       ALA  38  -3.082  -1.455  13.180
  294   2HB   ALA  38          2HB       ALA  38  -4.393  -2.177  14.111
  295   3HB   ALA  38          3HB       ALA  38  -4.741  -1.354  12.591
  296    H    ALA  39           H        ALA  39  -4.048  -3.009   9.857
  297    HA   ALA  39           HA       ALA  39  -6.928  -3.495   9.772
  298   1HB   ALA  39          2HB       ALA  39  -4.964  -2.556   7.686
  299   2HB   ALA  39          3HB       ALA  39  -6.215  -1.610   8.491
  300   3HB   ALA  39          1HB       ALA  39  -6.665  -2.877   7.350
  301    H    ARG  40           H        ARG  40  -3.896  -4.886   8.837
  302    HA   ARG  40           HA       ARG  40  -4.902  -6.974   7.199
  303   1HB   ARG  40          2HB       ARG  40  -2.623  -6.348   6.929
  304   2HB   ARG  40          1HB       ARG  40  -2.310  -6.493   8.654
  305   1HG   ARG  40          2HG       ARG  40  -3.228  -9.007   7.642
  306   2HG   ARG  40          1HG       ARG  40  -1.900  -8.417   6.642
  307   1HD   ARG  40          2HD       ARG  40  -0.420  -8.931   8.214
  308   2HD   ARG  40          1HD       ARG  40  -1.299  -7.977   9.408
  309    HE   ARG  40           HE       ARG  40  -2.751 -10.126   9.516
  310   1HH1  ARG  40          2HH1      ARG  40   0.704  -9.964   9.103
  311   2HH1  ARG  40          1HH1      ARG  40   0.997 -11.491   9.867
  312   1HH2  ARG  40          1HH2      ARG  40  -2.375 -12.138  10.524
  313   2HH2  ARG  40          2HH2      ARG  40  -0.753 -12.726  10.674
  314    H    LYS  41           H        LYS  41  -4.270  -6.537  10.606
  315    HA   LYS  41           HA       LYS  41  -4.437  -9.238  11.376
  316   1HB   LYS  41          2HB       LYS  41  -5.066  -6.780  13.012
  317   2HB   LYS  41          1HB       LYS  41  -4.730  -8.385  13.648
  318   1HG   LYS  41          2HG       LYS  41  -2.522  -7.957  12.143
  319   2HG   LYS  41          1HG       LYS  41  -2.900  -6.318  12.671
  320   1HD   LYS  41          2HD       LYS  41  -2.990  -7.133  15.008
  321   2HD   LYS  41          1HD       LYS  41  -2.496  -8.729  14.438
  322   1HE   LYS  41          2HE       LYS  41  -0.403  -7.835  13.627
  323   2HE   LYS  41          1HE       LYS  41  -0.903  -6.199  14.059
  324   1HZ   LYS  41          2HZ       LYS  41  -1.035  -8.043  16.257
  325   2HZ   LYS  41          1HZ       LYS  41   0.528  -7.876  15.633
  326   3HZ   LYS  41          3HZ       LYS  41  -0.318  -6.513  16.172
  327    H    ILE  42           H        ILE  42  -6.813  -6.943  10.468
  328    HA   ILE  42           HA       ILE  42  -8.992  -8.352  11.779
  329    HB   ILE  42           HB       ILE  42 -10.397  -6.608  11.057
  330   1HG1  ILE  42          2HG1      ILE  42  -8.526  -5.160   9.333
  331   2HG1  ILE  42          1HG1      ILE  42  -8.954  -6.746   8.708
  332   1HG2  ILE  42          3HG2      ILE  42  -7.642  -5.588  11.697
  333   2HG2  ILE  42          2HG2      ILE  42  -9.029  -4.509  11.537
  334   3HG2  ILE  42          1HG2      ILE  42  -9.028  -5.765  12.776
  335   1HD1  ILE  42          1HD1      ILE  42 -10.996  -4.720   9.571
  336   2HD1  ILE  42          3HD1      ILE  42 -10.382  -4.844   7.922
  337   3HD1  ILE  42          2HD1      ILE  42 -11.255  -6.197   8.641
  338    H    GLY  43           H        GLY  43  -7.361  -8.227   8.750
  339   1HA   GLY  43          1HA       GLY  43  -9.532  -9.669   7.399
  340   2HA   GLY  43          2HA       GLY  43  -7.960 -10.445   7.542
  341    H    PHE  44           H        PHE  44  -6.850  -7.526   7.288
  342    HA   PHE  44           HA       PHE  44  -7.464  -6.839   4.572
  343   1HB   PHE  44          2HB       PHE  44  -6.616  -5.304   6.523
  344   2HB   PHE  44          1HB       PHE  44  -5.029  -5.840   5.996
  345    HD1  PHE  44           HD1      PHE  44  -7.018  -5.895   3.172
  346    HD2  PHE  44           HD2      PHE  44  -5.088  -3.147   5.790
  347    HE1  PHE  44           HE1      PHE  44  -7.028  -4.199   1.393
  348    HE2  PHE  44           HE2      PHE  44  -5.100  -1.444   4.008
  349    HZ   PHE  44           HZ       PHE  44  -6.068  -1.973   1.810
  350    H    HIS  45           H        HIS  45  -6.456  -7.422   2.746
  351    HA   HIS  45           HA       HIS  45  -3.769  -8.474   2.769
  352   1HB   HIS  45          2HB       HIS  45  -5.090 -10.474   3.347
  353   2HB   HIS  45          1HB       HIS  45  -6.061 -10.248   1.898
  354    HD1  HIS  45           HD1      HIS  45  -4.198 -12.757   2.608
  355    HD2  HIS  45           HD2      HIS  45  -3.334  -9.692  -0.059
  356    HE1  HIS  45           HE1      HIS  45  -2.513 -13.715   1.006
  357    HE2  HIS  45           HE2      HIS  45  -2.051 -11.861  -0.636
  358    H    VAL  46           H        VAL  46  -2.782  -7.740   1.022
  359    HA   VAL  46           HA       VAL  46  -4.205  -7.586  -1.514
  360    HB   VAL  46           HB       VAL  46  -2.614  -5.169  -1.040
  361   1HG1  VAL  46          1HG1      VAL  46  -4.650  -6.074  -2.743
  362   2HG1  VAL  46          3HG1      VAL  46  -5.342  -4.745  -1.812
  363   3HG1  VAL  46          2HG1      VAL  46  -3.865  -4.495  -2.744
  364   1HG2  VAL  46          2HG2      VAL  46  -3.637  -5.419   1.187
  365   2HG2  VAL  46          1HG2      VAL  46  -4.256  -4.015   0.316
  366   3HG2  VAL  46          3HG2      VAL  46  -5.228  -5.482   0.431
  367    H    CYS  47           H        CYS  47  -2.816  -9.215  -2.235
  368    HA   CYS  47           HA       CYS  47  -0.003  -9.129  -2.008
  369   1HB   CYS  47          2HB       CYS  47  -1.715 -11.046  -2.757
  370   2HB   CYS  47          1HB       CYS  47  -1.226 -10.491  -4.354
  371    H    ALA  48           H        ALA  48   0.265  -6.829  -2.553
  372    HA   ALA  48           HA       ALA  48   1.357  -6.489  -5.125
  373   1HB   ALA  48          1HB       ALA  48  -0.976  -6.409  -5.838
  374   2HB   ALA  48          3HB       ALA  48  -1.286  -5.098  -4.701
  375   3HB   ALA  48          2HB       ALA  48  -0.191  -4.846  -6.060
  376    H    ALA  49           H        ALA  49   2.997  -5.176  -4.723
  377    HA   ALA  49           HA       ALA  49   3.634  -3.827  -2.500
  378   1HB   ALA  49          3HB       ALA  49   5.396  -3.420  -3.786
  379   2HB   ALA  49          2HB       ALA  49   4.448  -3.686  -5.249
  380   3HB   ALA  49          1HB       ALA  49   4.501  -2.085  -4.513
  381    H    GLY  50           H        GLY  50   2.542  -2.432  -1.288
  382   1HA   GLY  50          2HA       GLY  50   0.521  -1.065  -1.074
  383   2HA   GLY  50          1HA       GLY  50   0.900  -0.391  -2.652
  384    H    TRP  51           H        TRP  51   1.618   1.616  -2.548
  385    HA   TRP  51           HA       TRP  51   3.871   2.442  -1.167
  386   1HB   TRP  51          2HB       TRP  51   1.560   3.927  -2.372
  387   2HB   TRP  51          1HB       TRP  51   2.822   4.797  -1.500
  388    HD1  TRP  51           HD1      TRP  51   2.024   3.435  -4.848
  389    HE1  TRP  51           HE1      TRP  51   4.092   3.576  -6.385
  390    HE3  TRP  51           HE3      TRP  51   5.574   4.507  -1.333
  391    HZ2  TRP  51           HZ2      TRP  51   6.862   4.078  -6.131
  392    HZ3  TRP  51           HZ3      TRP  51   7.905   4.803  -2.055
  393    HH2  TRP  51           HH2      TRP  51   8.536   4.591  -4.406
  394    H    MET  52           H        MET  52   4.225   3.683   0.666
  395    HA   MET  52           HA       MET  52   2.194   4.508   2.453
  396   1HB   MET  52          2HB       MET  52   3.214   2.789   4.258
  397   2HB   MET  52          1HB       MET  52   1.759   2.459   3.328
  398   1HG   MET  52          2HG       MET  52   2.711   0.615   2.581
  399   2HG   MET  52          1HG       MET  52   3.892   1.609   1.731
  400   1HE   MET  52          3HE       MET  52   2.972  -0.282   4.931
  401   2HE   MET  52          2HE       MET  52   3.761  -1.424   3.844
  402   3HE   MET  52          1HE       MET  52   4.521  -0.996   5.377
  403    H    ALA  53           H        ALA  53   3.304   4.854   4.756
  404    HA   ALA  53           HA       ALA  53   4.780   6.188   5.872
  405   1HB   ALA  53          2HB       ALA  53   7.081   4.971   4.467
  406   2HB   ALA  53          3HB       ALA  53   5.990   3.884   5.328
  407   3HB   ALA  53          1HB       ALA  53   6.791   5.196   6.192
  408    H    LYS  54           H        LYS  54   7.252   7.207   5.261
  409    HA   LYS  54           HA       LYS  54   6.596   9.494   3.760
  410   1HB   LYS  54          2HB       LYS  54   8.749   8.613   5.389
  411   2HB   LYS  54          1HB       LYS  54   9.433   9.171   3.870
  412   1HG   LYS  54          2HG       LYS  54   7.408  10.887   5.195
  413   2HG   LYS  54          1HG       LYS  54   9.020  10.798   5.904
  414   1HD   LYS  54          2HD       LYS  54  10.040  11.667   3.982
  415   2HD   LYS  54          1HD       LYS  54   8.624  11.342   2.979
  416   1HE   LYS  54          2HE       LYS  54   8.927  13.446   5.110
  417   2HE   LYS  54          1HE       LYS  54   8.703  13.691   3.378
  418   1HZ   LYS  54          1HZ       LYS  54   6.553  12.192   4.114
  419   2HZ   LYS  54          3HZ       LYS  54   6.748  13.251   5.420
  420   3HZ   LYS  54          2HZ       LYS  54   6.553  13.864   3.856
  421    H    GLY  55           H        GLY  55   7.347   6.423   2.673
  422   1HA   GLY  55          1HA       GLY  55   8.839   7.192   0.324
  423   2HA   GLY  55          2HA       GLY  55   7.142   6.852   0.009
  424    H    ARG  56           H        ARG  56   7.366   4.873   2.369
  425    HA   ARG  56           HA       ARG  56   8.967   2.775   1.132
  426   1HB   ARG  56          2HB       ARG  56   7.856   3.291   3.812
  427   2HB   ARG  56          1HB       ARG  56   7.833   1.605   3.312
  428   1HG   ARG  56          2HG       ARG  56  10.007   1.391   3.686
  429   2HG   ARG  56          1HG       ARG  56  10.376   2.818   2.714
  430   1HD   ARG  56          2HD       ARG  56  11.114   2.988   5.086
  431   2HD   ARG  56          1HD       ARG  56  10.013   4.268   4.580
  432    HE   ARG  56           HE       ARG  56   8.248   2.770   5.682
  433   1HH1  ARG  56          1HH1      ARG  56  11.552   3.064   6.747
  434   2HH1  ARG  56          2HH1      ARG  56  11.187   2.703   8.402
  435   1HH2  ARG  56          2HH2      ARG  56   7.756   2.294   7.858
  436   2HH2  ARG  56          1HH2      ARG  56   9.029   2.265   9.033
  437    H    VAL  57           H        VAL  57   8.152   1.036   0.107
  438    HA   VAL  57           HA       VAL  57   5.235   0.658   0.129
  439    HB   VAL  57           HB       VAL  57   5.373   1.558  -1.971
  440   1HG1  VAL  57          2HG1      VAL  57   8.200   0.721  -1.820
  441   2HG1  VAL  57          1HG1      VAL  57   7.494   0.817  -3.433
  442   3HG1  VAL  57          3HG1      VAL  57   7.487   2.234  -2.382
  443   1HG2  VAL  57          2HG2      VAL  57   5.512  -1.333  -1.970
  444   2HG2  VAL  57          1HG2      VAL  57   4.494  -0.252  -2.922
  445   3HG2  VAL  57          3HG2      VAL  57   6.118  -0.651  -3.479
  446    H    GLY  58           H        GLY  58   4.870  -1.248   1.050
  447   1HA   GLY  58          2HA       GLY  58   5.832  -3.311   1.955
  448   2HA   GLY  58          1HA       GLY  58   6.725  -3.467   0.449
  449    H    TYR  59           H        TYR  59   5.360  -5.625   1.203
  450    HA   TYR  59           HA       TYR  59   2.912  -5.574  -0.436
  451   1HB   TYR  59          2HB       TYR  59   4.402  -8.126  -0.255
  452   2HB   TYR  59          1HB       TYR  59   3.540  -7.416  -1.618
  453    HD1  TYR  59           HD1      TYR  59   4.764  -5.014  -2.311
  454    HD2  TYR  59           HD2      TYR  59   6.633  -8.468  -0.673
  455    HE1  TYR  59           HE1      TYR  59   6.903  -4.321  -3.306
  456    HE2  TYR  59           HE2      TYR  59   8.777  -7.784  -1.662
  457    HH   TYR  59           HH       TYR  59   9.679  -5.137  -2.453
  458    HA   PRO  60           HA       PRO  60   1.759  -6.908   3.855
  459   1HB   PRO  60          2HB       PRO  60  -0.822  -5.817   2.914
  460   2HB   PRO  60          1HB       PRO  60   0.059  -5.489   4.406
  461   1HG   PRO  60          2HG       PRO  60  -0.081  -3.686   2.426
  462   2HG   PRO  60          1HG       PRO  60   1.364  -3.856   3.435
  463   1HD   PRO  60          2HD       PRO  60   0.877  -4.795   0.646
  464   2HD   PRO  60          1HD       PRO  60   2.360  -4.156   1.380
  465    H    ILE  61           H        ILE  61   1.190  -8.965   4.145
  466    HA   ILE  61           HA       ILE  61  -0.851 -10.138   2.378
  467    HB   ILE  61           HB       ILE  61   1.621 -11.598   3.314
  468   1HG1  ILE  61          1HG1      ILE  61   2.113  -9.824   1.632
  469   2HG1  ILE  61          2HG1      ILE  61   2.436 -11.450   1.041
  470   1HG2  ILE  61          3HG2      ILE  61  -0.422 -12.962   2.975
  471   2HG2  ILE  61          2HG2      ILE  61  -0.466 -12.413   1.299
  472   3HG2  ILE  61          1HG2      ILE  61   0.893 -13.380   1.876
  473   1HD1  ILE  61          3HD1      ILE  61  -0.044 -11.202   0.140
  474   2HD1  ILE  61          2HD1      ILE  61   0.393  -9.493   0.190
  475   3HD1  ILE  61          1HD1      ILE  61   1.356 -10.623  -0.764
  476    H    VAL  62           H        VAL  62  -2.392 -11.302   3.380
  477    HA   VAL  62           HA       VAL  62  -2.163 -11.608   6.290
  478    HB   VAL  62           HB       VAL  62  -4.172 -10.474   4.882
  479   1HG1  VAL  62          2HG1      VAL  62  -4.747 -12.637   3.827
  480   2HG1  VAL  62          1HG1      VAL  62  -5.119 -13.284   5.424
  481   3HG1  VAL  62          3HG1      VAL  62  -6.071 -11.951   4.769
  482   1HG2  VAL  62          3HG2      VAL  62  -3.813 -11.553   7.558
  483   2HG2  VAL  62          2HG2      VAL  62  -4.506 -10.016   7.040
  484   3HG2  VAL  62          1HG2      VAL  62  -5.508 -11.467   7.075
  485    H    LYS  63           H        LYS  63  -2.922 -13.374   3.335
  486    HA   LYS  63           HA       LYS  63  -2.607 -15.882   4.846
  487   1HB   LYS  63          2HB       LYS  63  -4.180 -16.881   3.095
  488   2HB   LYS  63          1HB       LYS  63  -4.901 -15.859   4.330
  489   1HG   LYS  63          2HG       LYS  63  -5.333 -14.143   2.852
  490   2HG   LYS  63          1HG       LYS  63  -4.096 -14.676   1.711
  491   1HD   LYS  63          2HD       LYS  63  -5.506 -16.062   0.653
  492   2HD   LYS  63          1HD       LYS  63  -6.205 -16.648   2.162
  493   1HE   LYS  63          2HE       LYS  63  -7.999 -15.378   1.868
  494   2HE   LYS  63          1HE       LYS  63  -6.996 -13.935   1.752
  495   1HZ   LYS  63          2HZ       LYS  63  -6.715 -15.212  -0.664
  496   2HZ   LYS  63          1HZ       LYS  63  -8.363 -15.338  -0.305
  497   3HZ   LYS  63          3HZ       LYS  63  -7.622 -13.818  -0.356
  498    HA   PRO  64           HA       PRO  64   0.980 -16.056   2.098
  499   1HB   PRO  64          2HB       PRO  64   0.842 -18.821   3.213
  500   2HB   PRO  64          1HB       PRO  64   2.233 -17.749   3.040
  501   1HG   PRO  64          2HG       PRO  64   1.061 -18.112   5.408
  502   2HG   PRO  64          1HG       PRO  64   1.696 -16.529   4.929
  503   1HD   PRO  64          1HD       PRO  64  -1.117 -17.459   5.123
  504   2HD   PRO  64          2HD       PRO  64  -0.446 -15.829   5.327
  505    H    GLY  65           H        GLY  65   0.937 -16.491  -0.012
  506   1HA   GLY  65          2HA       GLY  65  -0.547 -17.145  -1.856
  507   2HA   GLY  65          1HA       GLY  65  -0.886 -18.615  -0.954
  508    HA   PRO  66           HA       PRO  66   2.254 -20.582  -3.348
  509   1HB   PRO  66          2HB       PRO  66   1.620 -20.371  -5.974
  510   2HB   PRO  66          1HB       PRO  66   0.707 -21.380  -4.848
  511   1HG   PRO  66          2HG       PRO  66   0.085 -18.633  -5.865
  512   2HG   PRO  66          1HG       PRO  66  -1.000 -20.020  -5.654
  513   1HD   PRO  66          2HD       PRO  66  -0.866 -17.977  -3.874
  514   2HD   PRO  66          1HD       PRO  66  -1.244 -19.644  -3.394
  515    H    ASN  67           H        ASN  67   1.803 -18.401  -6.046
  516    HA   ASN  67           HA       ASN  67   4.602 -17.695  -5.974
  517   1HB   ASN  67          2HB       ASN  67   3.743 -16.272  -8.043
  518   2HB   ASN  67          1HB       ASN  67   3.994 -18.010  -8.164
  519   1HD2  ASN  67          2HD2      ASN  67   1.408 -15.962  -6.852
  520   2HD2  ASN  67          1HD2      ASN  67   0.132 -16.712  -7.744
  521    H    CYS  68           H        CYS  68   2.276 -16.614  -4.138
  522    HA   CYS  68           HA       CYS  68   2.509 -13.763  -4.561
  523   1HB   CYS  68          2HB       CYS  68   0.778 -15.532  -3.070
  524   2HB   CYS  68          1HB       CYS  68   1.360 -14.229  -2.039
  525    H    GLY  69           H        GLY  69   4.879 -15.482  -3.856
  526   1HA   GLY  69          1HA       GLY  69   5.752 -13.889  -1.527
  527   2HA   GLY  69          2HA       GLY  69   6.815 -14.407  -2.830
  528    H    PHE  70           H        PHE  70   5.815 -17.089  -3.002
  529    HA   PHE  70           HA       PHE  70   5.957 -19.149  -2.015
  530   1HB   PHE  70          2HB       PHE  70   8.334 -18.467  -2.430
  531   2HB   PHE  70          1HB       PHE  70   8.415 -17.918  -0.761
  532    HD1  PHE  70           HD1      PHE  70   7.273 -20.980  -2.574
  533    HD2  PHE  70           HD2      PHE  70   9.487 -19.339   0.670
  534    HE1  PHE  70           HE1      PHE  70   7.909 -23.249  -1.864
  535    HE2  PHE  70           HE2      PHE  70  10.126 -21.605   1.386
  536    HZ   PHE  70           HZ       PHE  70   9.337 -23.564   0.117
  537    H    GLY  71           H        GLY  71   4.173 -17.582  -0.626
  538   1HA   GLY  71          1HA       GLY  71   4.114 -18.893   1.897
  539   2HA   GLY  71          2HA       GLY  71   3.004 -17.638   1.356
  540    H    LYS  72           H        LYS  72   3.953 -15.378   1.356
  541    HA   LYS  72           HA       LYS  72   6.054 -14.942   3.313
  542   1HB   LYS  72          2HB       LYS  72   4.665 -13.304   1.271
  543   2HB   LYS  72          1HB       LYS  72   5.231 -12.451   2.701
  544   1HG   LYS  72          2HG       LYS  72   7.450 -12.865   2.239
  545   2HG   LYS  72          1HG       LYS  72   7.086 -14.277   1.245
  546   1HD   LYS  72          2HD       LYS  72   6.407 -12.963  -0.575
  547   2HD   LYS  72          1HD       LYS  72   6.244 -11.516   0.422
  548   1HE   LYS  72          2HE       LYS  72   8.316 -10.932  -0.109
  549   2HE   LYS  72          1HE       LYS  72   8.916 -12.400   0.662
  550   1HZ   LYS  72          1HZ       LYS  72   7.830 -12.823  -1.971
  551   2HZ   LYS  72          3HZ       LYS  72   9.183 -11.806  -1.953
  552   3HZ   LYS  72          2HZ       LYS  72   9.285 -13.364  -1.302
  553    H    THR  73           H        THR  73   5.784 -13.555   5.154
  554    HA   THR  73           HA       THR  73   3.020 -13.485   6.174
  555    HB   THR  73           HB       THR  73   4.525 -13.528   8.445
  556    HG1  THR  73           HG1      THR  73   6.300 -14.145   6.808
  557   1HG2  THR  73          1HG2      THR  73   3.237 -15.769   6.902
  558   2HG2  THR  73          3HG2      THR  73   3.888 -15.987   8.526
  559   3HG2  THR  73          2HG2      THR  73   2.571 -14.848   8.250
  560    H    GLY  74           H        GLY  74   2.304 -11.581   6.926
  561   1HA   GLY  74          2HA       GLY  74   3.994  -9.596   8.074
  562   2HA   GLY  74          1HA       GLY  74   2.298  -9.397   7.653
  563    H    ILE  75           H        ILE  75   3.197  -7.209   7.091
  564    HA   ILE  75           HA       ILE  75   3.283  -6.898   4.306
  565    HB   ILE  75           HB       ILE  75   4.263  -4.875   6.310
  566   1HG1  ILE  75          2HG1      ILE  75   1.742  -4.134   6.005
  567   2HG1  ILE  75          1HG1      ILE  75   1.509  -5.846   5.688
  568   1HG2  ILE  75          2HG2      ILE  75   4.066  -4.822   3.530
  569   2HG2  ILE  75          1HG2      ILE  75   2.693  -3.880   4.114
  570   3HG2  ILE  75          3HG2      ILE  75   4.331  -3.454   4.611
  571   1HD1  ILE  75          2HD1      ILE  75   3.075  -5.204   8.087
  572   2HD1  ILE  75          1HD1      ILE  75   1.375  -4.731   8.126
  573   3HD1  ILE  75          3HD1      ILE  75   1.818  -6.414   7.834
  574    H    ILE  76           H        ILE  76   4.907  -7.698   3.120
  575    HA   ILE  76           HA       ILE  76   7.614  -7.809   4.032
  576    HB   ILE  76           HB       ILE  76   6.808  -8.079   1.153
  577   1HG1  ILE  76          1HG1      ILE  76   5.174  -9.403   2.330
  578   2HG1  ILE  76          2HG1      ILE  76   6.369 -10.495   1.637
  579   1HG2  ILE  76          1HG2      ILE  76   9.174  -8.511   2.667
  580   2HG2  ILE  76          3HG2      ILE  76   8.614 -10.066   2.048
  581   3HG2  ILE  76          2HG2      ILE  76   8.914  -8.731   0.935
  582   1HD1  ILE  76          3HD1      ILE  76   6.822  -9.592   4.414
  583   2HD1  ILE  76          2HD1      ILE  76   5.495 -10.719   4.128
  584   3HD1  ILE  76          1HD1      ILE  76   7.139 -11.154   3.658
  585    H    ASP  77           H        ASP  77   7.993  -5.577   4.542
  586    HA   ASP  77           HA       ASP  77   8.271  -3.802   2.219
  587   1HB   ASP  77          2HB       ASP  77   7.010  -3.201   4.462
  588   2HB   ASP  77          1HB       ASP  77   8.637  -2.839   5.026
  589    H    TYR  78           H        TYR  78  10.221  -3.557   1.371
  590    HA   TYR  78           HA       TYR  78  12.564  -4.451   2.818
  591   1HB   TYR  78          2HB       TYR  78  12.145  -3.475  -0.010
  592   2HB   TYR  78          1HB       TYR  78  13.707  -3.957   0.633
  593    HD1  TYR  78           HD1      TYR  78  10.231  -5.321   0.459
  594    HD2  TYR  78           HD2      TYR  78  14.402  -6.100   0.147
  595    HE1  TYR  78           HE1      TYR  78   9.743  -7.657  -0.131
  596    HE2  TYR  78           HE2      TYR  78  13.927  -8.439  -0.445
  597    HH   TYR  78           HH       TYR  78  11.236  -9.544  -1.565
  598    H    GLY  79           H        GLY  79  11.161  -1.461   1.612
  599   1HA   GLY  79          2HA       GLY  79  13.429   0.027   2.782
  600   2HA   GLY  79          1HA       GLY  79  11.762   0.465   3.150
  601    H    ILE  80           H        ILE  80  12.671   2.563   2.262
  602    HA   ILE  80           HA       ILE  80  11.562   3.064  -0.265
  603    HB   ILE  80           HB       ILE  80  13.656   4.774   1.072
  604   1HG1  ILE  80          1HG1      ILE  80  10.753   5.279   1.492
  605   2HG1  ILE  80          2HG1      ILE  80  11.479   3.957   2.398
  606   1HG2  ILE  80          3HG2      ILE  80  12.319   5.044  -1.344
  607   2HG2  ILE  80          2HG2      ILE  80  11.457   6.115  -0.242
  608   3HG2  ILE  80          1HG2      ILE  80  13.194   6.304  -0.475
  609   1HD1  ILE  80          1HD1      ILE  80  13.249   6.069   2.711
  610   2HD1  ILE  80          3HD1      ILE  80  11.648   6.797   2.832
  611   3HD1  ILE  80          2HD1      ILE  80  12.092   5.463   3.896
  612    H    ARG  81           H        ARG  81  12.299   2.419  -2.169
  613    HA   ARG  81           HA       ARG  81  15.084   1.725  -2.533
  614   1HB   ARG  81          2HB       ARG  81  12.764   1.652  -4.472
  615   2HB   ARG  81          1HB       ARG  81  14.367   0.996  -4.779
  616   1HG   ARG  81          2HG       ARG  81  13.089   0.009  -2.331
  617   2HG   ARG  81          1HG       ARG  81  12.268  -0.429  -3.831
  618   1HD   ARG  81          2HD       ARG  81  14.824  -0.945  -4.513
  619   2HD   ARG  81          1HD       ARG  81  14.892  -1.276  -2.783
  620    HE   ARG  81           HE       ARG  81  13.147  -2.926  -3.117
  621   1HH1  ARG  81          1HH1      ARG  81  14.749  -1.738  -5.972
  622   2HH1  ARG  81          2HH1      ARG  81  14.336  -3.116  -6.935
  623   1HH2  ARG  81          1HH2      ARG  81  12.597  -4.746  -4.377
  624   2HH2  ARG  81          2HH2      ARG  81  13.113  -4.828  -6.028
  625    H    LEU  82           H        LEU  82  13.797   4.587  -2.334
  626    HA   LEU  82           HA       LEU  82  14.249   6.665  -3.142
  627   1HB   LEU  82          2HB       LEU  82  16.624   5.354  -3.032
  628   2HB   LEU  82          1HB       LEU  82  16.583   5.806  -4.722
  629    HG   LEU  82           HG       LEU  82  17.785   7.501  -3.565
  630   1HD1  LEU  82          1HD1      LEU  82  16.206   8.283  -5.280
  631   2HD1  LEU  82          3HD1      LEU  82  14.986   8.521  -4.028
  632   3HD1  LEU  82          2HD1      LEU  82  16.467   9.480  -4.012
  633   1HD2  LEU  82          3HD2      LEU  82  15.636   7.179  -1.554
  634   2HD2  LEU  82          2HD2      LEU  82  17.366   7.448  -1.337
  635   3HD2  LEU  82          1HD2      LEU  82  16.311   8.795  -1.762
  636    H    ASN  83           H        ASN  83  12.369   5.326  -4.594
  637    HA   ASN  83           HA       ASN  83  12.700   6.544  -7.205
  638   1HB   ASN  83          2HB       ASN  83  13.062   3.728  -6.814
  639   2HB   ASN  83          1HB       ASN  83  11.598   3.990  -7.755
  640   1HD2  ASN  83          1HD2      ASN  83  12.141   6.106  -9.279
  641   2HD2  ASN  83          2HD2      ASN  83  13.483   5.798 -10.321
  642    H    ARG  84           H        ARG  84  11.047   7.874  -6.148
  643    HA   ARG  84           HA       ARG  84   8.496   6.766  -5.505
  644   1HB   ARG  84          2HB       ARG  84   9.635   9.509  -5.748
  645   2HB   ARG  84          1HB       ARG  84   7.886   9.338  -5.812
  646   1HG   ARG  84          2HG       ARG  84   7.794   9.192  -3.612
  647   2HG   ARG  84          1HG       ARG  84   8.869   7.793  -3.634
  648   1HD   ARG  84          2HD       ARG  84   9.922  10.595  -3.841
  649   2HD   ARG  84          1HD       ARG  84   9.593   9.846  -2.280
  650    HE   ARG  84           HE       ARG  84  11.313   8.370  -4.102
  651   1HH1  ARG  84          2HH1      ARG  84  11.044  10.492  -1.352
  652   2HH1  ARG  84          1HH1      ARG  84  12.635  10.141  -0.763
  653   1HH2  ARG  84          1HH2      ARG  84  13.409   7.903  -3.333
  654   2HH2  ARG  84          2HH2      ARG  84  13.979   8.670  -1.888
  655    H    SER  85           H        SER  85   9.909   6.779  -8.358
  656    HA   SER  85           HA       SER  85   7.546   7.627  -9.884
  657   1HB   SER  85          2HB       SER  85  10.291   8.022 -10.326
  658   2HB   SER  85          1HB       SER  85   9.791   6.831 -11.526
  659    HG   SER  85           HG       SER  85   8.140   9.042 -11.146
  660    H    GLU  86           H        GLU  86   8.472   4.960  -8.403
  661    HA   GLU  86           HA       GLU  86   8.455   2.961 -10.400
  662   1HB   GLU  86          2HB       GLU  86   8.032   2.987  -7.435
  663   2HB   GLU  86          1HB       GLU  86   7.700   1.523  -8.349
  664   1HG   GLU  86          2HG       GLU  86  10.295   2.800  -8.884
  665   2HG   GLU  86          1HG       GLU  86  10.087   2.118  -7.272
  666    H    ARG  87           H        ARG  87   6.601   1.109  -9.859
  667    HA   ARG  87           HA       ARG  87   4.000   2.447 -10.072
  668   1HB   ARG  87          2HB       ARG  87   3.427   0.713 -11.853
  669   2HB   ARG  87          1HB       ARG  87   4.443   2.063 -12.334
  670   1HG   ARG  87          2HG       ARG  87   5.986   0.657 -13.056
  671   2HG   ARG  87          1HG       ARG  87   6.134  -0.024 -11.435
  672   1HD   ARG  87          2HD       ARG  87   5.258  -1.923 -12.176
  673   2HD   ARG  87          1HD       ARG  87   3.762  -1.066 -12.549
  674    HE   ARG  87           HE       ARG  87   4.673  -0.665 -14.779
  675   1HH1  ARG  87          1HH1      ARG  87   6.172  -3.136 -12.835
  676   2HH1  ARG  87          2HH1      ARG  87   6.825  -3.990 -14.192
  677   1HH2  ARG  87          1HH2      ARG  87   5.528  -1.782 -16.575
  678   2HH2  ARG  87          2HH2      ARG  87   6.460  -3.220 -16.320
  679    H    TRP  88           H        TRP  88   2.816   1.728  -8.481
  680    HA   TRP  88           HA       TRP  88   2.387  -1.107  -8.097
  681   1HB   TRP  88          2HB       TRP  88   3.090   0.430  -5.619
  682   2HB   TRP  88          1HB       TRP  88   3.100  -1.308  -5.887
  683    HD1  TRP  88           HD1      TRP  88   5.323   1.702  -5.935
  684    HE1  TRP  88           HE1      TRP  88   7.711   1.006  -6.599
  685    HE3  TRP  88           HE3      TRP  88   4.378  -3.078  -7.487
  686    HZ2  TRP  88           HZ2      TRP  88   9.020  -1.266  -7.642
  687    HZ3  TRP  88           HZ3      TRP  88   6.253  -4.446  -8.302
  688    HH2  TRP  88           HH2      TRP  88   8.527  -3.557  -8.378
  689    H    ASP  89           H        ASP  89   1.006  -1.015  -5.708
  690    HA   ASP  89           HA       ASP  89  -1.382   0.396  -6.516
  691   1HB   ASP  89          2HB       ASP  89  -1.145  -1.130  -3.948
  692   2HB   ASP  89          1HB       ASP  89  -2.524  -0.967  -5.028
  693    H    ALA  90           H        ALA  90  -2.620   1.137  -4.264
  694    HA   ALA  90           HA       ALA  90  -0.804   2.864  -2.756
  695   1HB   ALA  90          1HB       ALA  90  -1.580   4.172  -4.698
  696   2HB   ALA  90          3HB       ALA  90  -3.244   3.936  -4.165
  697   3HB   ALA  90          2HB       ALA  90  -2.118   4.848  -3.160
  698    H    TYR  91           H        TYR  91  -1.235   2.569  -0.666
  699    HA   TYR  91           HA       TYR  91  -3.820   1.538   0.164
  700   1HB   TYR  91          2HB       TYR  91  -1.164   1.916   1.521
  701   2HB   TYR  91          1HB       TYR  91  -2.615   1.599   2.462
  702    HD1  TYR  91           HD1      TYR  91  -4.017  -0.500   1.658
  703    HD2  TYR  91           HD2      TYR  91   0.107   0.129   0.823
  704    HE1  TYR  91           HE1      TYR  91  -3.733  -2.911   1.267
  705    HE2  TYR  91           HE2      TYR  91   0.401  -2.281   0.433
  706    HH   TYR  91           HH       TYR  91  -1.499  -4.267  -0.334
  707    H    CYS  92           H        CYS  92  -5.410   2.929   0.578
  708    HA   CYS  92           HA       CYS  92  -4.760   5.654   1.398
  709   1HB   CYS  92          2HB       CYS  92  -6.509   4.897  -0.427
  710   2HB   CYS  92          1HB       CYS  92  -7.566   4.717   0.969
  711    H    TYR  93           H        TYR  93  -5.983   6.674   3.141
  712    HA   TYR  93           HA       TYR  93  -7.069   4.869   5.155
  713   1HB   TYR  93          2HB       TYR  93  -4.628   5.073   5.627
  714   2HB   TYR  93          1HB       TYR  93  -4.843   6.813   5.806
  715    HD1  TYR  93           HD1      TYR  93  -6.580   7.578   7.582
  716    HD2  TYR  93           HD2      TYR  93  -4.852   3.690   7.480
  717    HE1  TYR  93           HE1      TYR  93  -7.165   7.266   9.950
  718    HE2  TYR  93           HE2      TYR  93  -5.435   3.366   9.848
  719    HH   TYR  93           HH       TYR  93  -6.539   5.944  11.842
  720    H    ASN  94           H        ASN  94  -8.717   5.737   6.258
  721    HA   ASN  94           HA       ASN  94  -9.009   8.605   6.518
  722   1HB   ASN  94          2HB       ASN  94 -10.544   7.013   4.575
  723   2HB   ASN  94          1HB       ASN  94 -11.528   8.029   5.626
  724   1HD2  ASN  94          2HD2      ASN  94 -11.476   8.474   2.948
  725   2HD2  ASN  94          1HD2      ASN  94 -10.647   9.951   2.609
  726    HA   PRO  95           HA       PRO  95 -10.624   7.493  10.465
  727   1HB   PRO  95          2HB       PRO  95 -12.569   9.696   9.953
  728   2HB   PRO  95          1HB       PRO  95 -11.521   9.421  11.350
  729   1HG   PRO  95          2HG       PRO  95 -10.923  11.285   9.538
  730   2HG   PRO  95          1HG       PRO  95  -9.656  10.300  10.293
  731   1HD   PRO  95          1HD       PRO  95 -10.807  10.135   7.550
  732   2HD   PRO  95          2HD       PRO  95  -9.156   9.799   8.107
  733    H    HIS  96           H        HIS  96 -12.808   8.094   7.768
  734    HA   HIS  96           HA       HIS  96 -14.640   6.062   8.864
  735   1HB   HIS  96          2HB       HIS  96 -15.221   8.578   7.312
  736   2HB   HIS  96          1HB       HIS  96 -16.378   7.253   7.390
  737    HD1  HIS  96           HD1      HIS  96 -15.796   6.587  10.448
  738    HD2  HIS  96           HD2      HIS  96 -16.711  10.318   8.865
  739    HE1  HIS  96           HE1      HIS  96 -16.746   7.914  12.362
  740    HE2  HIS  96           HE2      HIS  96 -17.368  10.141  11.361
  741    H    ALA  97           H        ALA  97 -13.003   7.339   6.042
  742    HA   ALA  97           HA       ALA  97 -12.930   6.584   3.855
  743   1HB   ALA  97          1HB       ALA  97 -11.079   5.410   4.373
  744   2HB   ALA  97          2HB       ALA  97 -12.125   4.019   4.081
  745   3HB   ALA  97          3HB       ALA  97 -11.852   4.587   5.728
  746    H    LYS  98           H        LYS  98 -15.426   6.749   3.902
  747    HA   LYS  98           HA       LYS  98 -16.640   4.101   3.521
  748   1HB   LYS  98          2HB       LYS  98 -17.724   5.670   5.127
  749   2HB   LYS  98          1HB       LYS  98 -18.011   6.781   3.794
  750   1HG   LYS  98          2HG       LYS  98 -19.483   5.231   2.728
  751   2HG   LYS  98          1HG       LYS  98 -19.068   3.966   3.885
  752   1HD   LYS  98          2HD       LYS  98 -20.838   4.633   5.068
  753   2HD   LYS  98          1HD       LYS  98 -19.907   6.076   5.472
  754   1HE   LYS  98          2HE       LYS  98 -20.818   7.193   3.475
  755   2HE   LYS  98          1HE       LYS  98 -21.790   5.759   3.138
  756   1HZ   LYS  98          1HZ       LYS  98 -22.772   6.097   5.412
  757   2HZ   LYS  98          3HZ       LYS  98 -22.028   7.617   5.432
  758   3HZ   LYS  98          2HZ       LYS  98 -23.189   7.259   4.256

  No H/Q in entry =         758
  Start of MODEL    3
    1    H1   GLY   1          1H        GLY   1  -9.358   4.543   8.957
    2    H2   GLY   1          3H        GLY   1 -10.915   4.870   9.535
    3    H3   GLY   1          2H        GLY   1 -10.119   3.452  10.002
    4   1HA   GLY   1          1HA       GLY   1 -11.741   3.930   7.726
    5   2HA   GLY   1          2HA       GLY   1 -11.132   2.406   8.350
    6    H    VAL   2           H        VAL   2  -8.895   1.838   7.783
    7    HA   VAL   2           HA       VAL   2  -7.812   3.153   5.420
    8    HB   VAL   2           HB       VAL   2  -6.109   2.658   6.936
    9   1HG1  VAL   2          3HG1      VAL   2  -7.820   0.531   7.728
   10   2HG1  VAL   2          2HG1      VAL   2  -6.215  -0.125   7.403
   11   3HG1  VAL   2          1HG1      VAL   2  -6.413   1.191   8.562
   12   1HG2  VAL   2          2HG2      VAL   2  -5.969   1.640   4.475
   13   2HG2  VAL   2          1HG2      VAL   2  -4.653   1.508   5.641
   14   3HG2  VAL   2          3HG2      VAL   2  -5.761   0.156   5.403
   15    H    TYR   3           H        TYR   3  -7.410   2.101   3.463
   16    HA   TYR   3           HA       TYR   3  -8.296  -0.607   3.049
   17   1HB   TYR   3          2HB       TYR   3  -9.966  -0.036   1.303
   18   2HB   TYR   3          1HB       TYR   3 -10.453   0.470   2.914
   19    HD1  TYR   3           HD1      TYR   3 -10.038   2.938   3.543
   20    HD2  TYR   3           HD2      TYR   3  -9.970   1.489  -0.456
   21    HE1  TYR   3           HE1      TYR   3 -10.412   5.222   2.714
   22    HE2  TYR   3           HE2      TYR   3 -10.342   3.769  -1.296
   23    HH   TYR   3           HH       TYR   3 -10.041   6.074  -0.563
   24    H    HIS   4           H        HIS   4  -8.310  -1.029   0.533
   25    HA   HIS   4           HA       HIS   4  -5.728  -0.026  -0.411
   26   1HB   HIS   4          2HB       HIS   4  -6.158  -2.491  -0.233
   27   2HB   HIS   4          1HB       HIS   4  -7.359  -2.321  -1.507
   28    HD1  HIS   4           HD1      HIS   4  -6.521  -2.616  -3.819
   29    HD2  HIS   4           HD2      HIS   4  -3.468  -1.668  -1.166
   30    HE1  HIS   4           HE1      HIS   4  -4.396  -2.770  -5.156
   31    HE2  HIS   4           HE2      HIS   4  -2.556  -2.312  -3.497
   32    H    ARG   5           H        ARG   5  -5.450   0.438  -2.702
   33    HA   ARG   5           HA       ARG   5  -7.778   1.075  -4.280
   34   1HB   ARG   5          2HB       ARG   5  -7.647   3.041  -2.843
   35   2HB   ARG   5          1HB       ARG   5  -5.957   3.261  -3.270
   36   1HG   ARG   5          2HG       ARG   5  -6.706   4.681  -4.812
   37   2HG   ARG   5          1HG       ARG   5  -7.191   3.247  -5.717
   38   1HD   ARG   5          2HD       ARG   5  -8.824   5.236  -4.320
   39   2HD   ARG   5          1HD       ARG   5  -9.229   4.187  -5.677
   40    HE   ARG   5           HE       ARG   5  -9.210   3.245  -2.883
   41   1HH1  ARG   5          1HH1      ARG   5 -10.658   3.436  -6.046
   42   2HH1  ARG   5          2HH1      ARG   5 -11.969   2.375  -5.652
   43   1HH2  ARG   5          2HH2      ARG   5 -10.932   1.847  -2.355
   44   2HH2  ARG   5          1HH2      ARG   5 -12.125   1.472  -3.553
   45    H    GLU   6           H        GLU   6  -7.298   1.403  -6.463
   46    HA   GLU   6           HA       GLU   6  -4.498   0.849  -7.194
   47   1HB   GLU   6          2HB       GLU   6  -5.229  -0.364  -9.071
   48   2HB   GLU   6          1HB       GLU   6  -6.292  -0.875  -7.768
   49   1HG   GLU   6          2HG       GLU   6  -6.970   1.177  -9.862
   50   2HG   GLU   6          1HG       GLU   6  -7.490  -0.507  -9.872
   51    H    ALA   7           H        ALA   7  -4.577   1.398  -9.858
   52    HA   ALA   7           HA       ALA   7  -4.890   4.318  -9.844
   53   1HB   ALA   7          3HB       ALA   7  -2.824   4.280 -10.660
   54   2HB   ALA   7          2HB       ALA   7  -2.876   2.529 -10.862
   55   3HB   ALA   7          1HB       ALA   7  -3.483   3.582 -12.140
   56    H    ARG   8           H        ARG   8  -5.699   5.389 -11.742
   57    HA   ARG   8           HA       ARG   8  -8.091   4.288 -12.720
   58   1HB   ARG   8          2HB       ARG   8  -6.444   6.683 -13.454
   59   2HB   ARG   8          1HB       ARG   8  -7.823   6.232 -14.445
   60   1HG   ARG   8          2HG       ARG   8  -8.699   7.791 -12.977
   61   2HG   ARG   8          1HG       ARG   8  -9.150   6.248 -12.247
   62   1HD   ARG   8          2HD       ARG   8  -7.595   6.447 -10.547
   63   2HD   ARG   8          1HD       ARG   8  -6.596   7.580 -11.454
   64    HE   ARG   8           HE       ARG   8  -8.015   9.320 -10.817
   65   1HH1  ARG   8          1HH1      ARG   8  -9.135   6.244  -9.626
   66   2HH1  ARG   8          2HH1      ARG   8 -10.241   6.942  -8.489
   67   1HH2  ARG   8          1HH2      ARG   8  -9.469  10.248  -9.325
   68   2HH2  ARG   8          2HH2      ARG   8 -10.431   9.217  -8.319
   69    H    SER   9           H        SER   9  -4.860   3.871 -13.714
   70    HA   SER   9           HA       SER   9  -5.637   2.973 -16.390
   71   1HB   SER   9          2HB       SER   9  -3.016   2.651 -16.490
   72   2HB   SER   9          1HB       SER   9  -3.731   4.254 -16.661
   73    HG   SER   9           HG       SER   9  -2.865   4.829 -14.831
   74    H    GLY  10           H        GLY  10  -4.644   1.792 -13.287
   75   1HA   GLY  10          2HA       GLY  10  -4.233  -0.908 -14.375
   76   2HA   GLY  10          1HA       GLY  10  -5.495  -0.658 -13.177
   77    H    LYS  11           H        LYS  11  -4.175  -2.335 -12.067
   78    HA   LYS  11           HA       LYS  11  -2.789  -1.255  -9.906
   79   1HB   LYS  11          2HB       LYS  11  -3.740  -3.381  -9.593
   80   2HB   LYS  11          1HB       LYS  11  -2.981  -4.033 -11.038
   81   1HG   LYS  11          2HG       LYS  11  -0.812  -3.980  -9.960
   82   2HG   LYS  11          1HG       LYS  11  -1.524  -3.249  -8.520
   83   1HD   LYS  11          2HD       LYS  11  -1.718  -5.348  -7.767
   84   2HD   LYS  11          1HD       LYS  11  -3.084  -5.470  -8.878
   85   1HE   LYS  11          2HE       LYS  11  -0.229  -6.264  -9.438
   86   2HE   LYS  11          1HE       LYS  11  -1.593  -7.353  -9.189
   87   1HZ   LYS  11          1HZ       LYS  11  -2.555  -5.952 -11.183
   88   2HZ   LYS  11          3HZ       LYS  11  -0.912  -5.731 -11.522
   89   3HZ   LYS  11          2HZ       LYS  11  -1.556  -7.293 -11.442
   90    H    TYR  12           H        TYR  12  -0.586  -1.359  -9.298
   91    HA   TYR  12           HA       TYR  12   1.646  -1.058  -9.591
   92   1HB   TYR  12          2HB       TYR  12   1.128  -2.956 -11.883
   93   2HB   TYR  12          1HB       TYR  12   2.739  -2.421 -11.415
   94    HD1  TYR  12           HD1      TYR  12   1.256  -2.477  -8.391
   95    HD2  TYR  12           HD2      TYR  12   2.372  -5.220 -11.445
   96    HE1  TYR  12           HE1      TYR  12   1.368  -4.276  -6.723
   97    HE2  TYR  12           HE2      TYR  12   2.487  -7.030  -9.784
   98    HH   TYR  12           HH       TYR  12   2.354  -6.428  -6.397
   99    H    LYS  13           H        LYS  13   0.402   1.097 -10.306
  100    HA   LYS  13           HA       LYS  13   1.974   2.130 -12.499
  101   1HB   LYS  13          2HB       LYS  13  -1.019   1.902 -12.634
  102   2HB   LYS  13          1HB       LYS  13  -0.179   3.195 -13.479
  103   1HG   LYS  13          2HG       LYS  13   1.258   1.195 -14.410
  104   2HG   LYS  13          1HG       LYS  13  -0.192   0.273 -14.008
  105   1HD   LYS  13          2HD       LYS  13  -1.007   2.652 -15.322
  106   2HD   LYS  13          1HD       LYS  13   0.291   1.925 -16.272
  107   1HE   LYS  13          2HE       LYS  13  -1.040  -0.278 -15.916
  108   2HE   LYS  13          1HE       LYS  13  -2.384   0.801 -15.545
  109   1HZ   LYS  13          3HZ       LYS  13  -1.879   1.901 -17.737
  110   2HZ   LYS  13          2HZ       LYS  13  -0.871   0.587 -18.081
  111   3HZ   LYS  13          1HZ       LYS  13  -2.525   0.340 -17.829
  112    H    LEU  14           H        LEU  14   0.994   2.396  -9.499
  113    HA   LEU  14           HA       LEU  14   0.661   5.321  -9.538
  114   1HB   LEU  14          2HB       LEU  14  -0.314   3.164  -7.733
  115   2HB   LEU  14          1HB       LEU  14   0.006   4.740  -7.041
  116    HG   LEU  14           HG       LEU  14  -1.734   4.531  -9.463
  117   1HD1  LEU  14          3HD1      LEU  14  -2.355   2.913  -7.468
  118   2HD1  LEU  14          2HD1      LEU  14  -2.994   4.406  -6.777
  119   3HD1  LEU  14          1HD1      LEU  14  -3.587   3.831  -8.335
  120   1HD2  LEU  14          2HD2      LEU  14  -0.972   6.534  -7.529
  121   2HD2  LEU  14          1HD2      LEU  14  -1.797   6.719  -9.078
  122   3HD2  LEU  14          3HD2      LEU  14  -2.725   6.362  -7.620
  123    H    THR  15           H        THR  15   2.148   6.586  -8.638
  124    HA   THR  15           HA       THR  15   4.441   5.298  -7.326
  125    HB   THR  15           HB       THR  15   5.802   7.049  -8.033
  126    HG1  THR  15           HG1      THR  15   4.829   9.066  -8.812
  127   1HG2  THR  15          3HG2      THR  15   3.956   6.000  -9.970
  128   2HG2  THR  15          2HG2      THR  15   4.428   7.640 -10.413
  129   3HG2  THR  15          1HG2      THR  15   5.663   6.405 -10.162
  130    H    TYR  16           H        TYR  16   5.209   6.069  -5.331
  131    HA   TYR  16           HA       TYR  16   3.559   6.604  -3.312
  132   1HB   TYR  16          2HB       TYR  16   5.899   6.341  -2.865
  133   2HB   TYR  16          1HB       TYR  16   6.288   7.827  -3.725
  134    HD1  TYR  16           HD1      TYR  16   4.481   6.539  -0.736
  135    HD2  TYR  16           HD2      TYR  16   6.394   9.865  -2.585
  136    HE1  TYR  16           HE1      TYR  16   4.305   7.804   1.366
  137    HE2  TYR  16           HE2      TYR  16   6.225  11.135  -0.486
  138    HH   TYR  16           HH       TYR  16   4.893   9.666   2.452
  139    H    ALA  17           H        ALA  17   4.758   9.049  -5.556
  140    HA   ALA  17           HA       ALA  17   3.577  11.266  -4.235
  141   1HB   ALA  17          2HB       ALA  17   4.411  11.001  -7.120
  142   2HB   ALA  17          1HB       ALA  17   4.090  12.507  -6.261
  143   3HB   ALA  17          3HB       ALA  17   5.455  11.496  -5.787
  144    H    GLU  18           H        GLU  18   2.541   9.260  -6.992
  145    HA   GLU  18           HA       GLU  18   0.108  10.703  -7.382
  146   1HB   GLU  18          2HB       GLU  18   0.937   7.950  -8.322
  147   2HB   GLU  18          1HB       GLU  18  -0.462   8.844  -8.896
  148   1HG   GLU  18          2HG       GLU  18   0.949  10.544  -9.845
  149   2HG   GLU  18          1HG       GLU  18   2.383   9.778  -9.163
  150    H    ALA  19           H        ALA  19   0.921   7.546  -5.980
  151    HA   ALA  19           HA       ALA  19  -1.549   6.627  -5.251
  152   1HB   ALA  19          3HB       ALA  19  -0.138   5.029  -4.600
  153   2HB   ALA  19          1HB       ALA  19   0.043   5.937  -3.098
  154   3HB   ALA  19          2HB       ALA  19   1.191   6.173  -4.416
  155    H    LYS  20           H        LYS  20   0.486   8.962  -3.551
  156    HA   LYS  20           HA       LYS  20  -1.255   9.229  -1.303
  157   1HB   LYS  20          2HB       LYS  20   1.275   9.759  -1.503
  158   2HB   LYS  20          1HB       LYS  20   0.744  11.298  -2.160
  159   1HG   LYS  20          2HG       LYS  20  -0.681  10.711   0.263
  160   2HG   LYS  20          1HG       LYS  20   1.061  10.607   0.528
  161   1HD   LYS  20          2HD       LYS  20   0.289  12.910  -1.080
  162   2HD   LYS  20          1HD       LYS  20  -0.440  12.916   0.526
  163   1HE   LYS  20          2HE       LYS  20   1.490  13.476   1.476
  164   2HE   LYS  20          1HE       LYS  20   2.330  12.148   0.676
  165   1HZ   LYS  20          2HZ       LYS  20   1.967  13.959  -1.314
  166   2HZ   LYS  20          1HZ       LYS  20   2.295  14.942   0.023
  167   3HZ   LYS  20          3HZ       LYS  20   3.394  13.739  -0.434
  168    H    ALA  21           H        ALA  21  -0.561  11.271  -4.128
  169    HA   ALA  21           HA       ALA  21  -2.214  13.400  -3.621
  170   1HB   ALA  21          1HB       ALA  21  -2.458  13.571  -6.134
  171   2HB   ALA  21          2HB       ALA  21  -1.534  12.071  -6.230
  172   3HB   ALA  21          3HB       ALA  21  -0.808  13.509  -5.513
  173    H    VAL  22           H        VAL  22  -3.108  10.268  -4.984
  174    HA   VAL  22           HA       VAL  22  -5.815  10.956  -5.515
  175    HB   VAL  22           HB       VAL  22  -4.332   8.357  -5.348
  176   1HG1  VAL  22          1HG1      VAL  22  -7.309   8.691  -5.686
  177   2HG1  VAL  22          3HG1      VAL  22  -6.421   7.205  -6.018
  178   3HG1  VAL  22          2HG1      VAL  22  -6.477   7.849  -4.378
  179   1HG2  VAL  22          2HG2      VAL  22  -5.260  10.182  -7.427
  180   2HG2  VAL  22          1HG2      VAL  22  -3.983   8.967  -7.471
  181   3HG2  VAL  22          3HG2      VAL  22  -5.660   8.494  -7.742
  182    H    CYS  23           H        CYS  23  -4.346   8.969  -2.958
  183    HA   CYS  23           HA       CYS  23  -6.699   8.528  -1.509
  184   1HB   CYS  23          2HB       CYS  23  -3.790   8.509  -0.726
  185   2HB   CYS  23          1HB       CYS  23  -5.069   8.122   0.419
  186    H    GLU  24           H        GLU  24  -4.257  11.070  -1.263
  187    HA   GLU  24           HA       GLU  24  -5.597  12.357   0.944
  188   1HB   GLU  24          2HB       GLU  24  -3.077  12.355   0.500
  189   2HB   GLU  24          1HB       GLU  24  -3.407  13.542  -0.753
  190   1HG   GLU  24          2HG       GLU  24  -3.978  15.177   0.749
  191   2HG   GLU  24          1HG       GLU  24  -4.434  14.021   2.000
  192    H    PHE  25           H        PHE  25  -6.029  12.262  -2.373
  193    HA   PHE  25           HA       PHE  25  -6.644  14.857  -3.115
  194   1HB   PHE  25          2HB       PHE  25  -6.763  12.427  -4.338
  195   2HB   PHE  25          1HB       PHE  25  -8.474  12.796  -4.160
  196    HD1  PHE  25           HD1      PHE  25  -5.288  14.212  -5.431
  197    HD2  PHE  25           HD2      PHE  25  -9.536  14.194  -5.671
  198    HE1  PHE  25           HE1      PHE  25  -5.174  15.658  -7.417
  199    HE2  PHE  25           HE2      PHE  25  -9.432  15.642  -7.660
  200    HZ   PHE  25           HZ       PHE  25  -7.249  16.376  -8.535
  201    H    GLU  26           H        GLU  26  -8.814  12.398  -1.763
  202    HA   GLU  26           HA       GLU  26 -10.859  14.444  -1.347
  203   1HB   GLU  26          2HB       GLU  26 -11.082  11.476  -0.857
  204   2HB   GLU  26          1HB       GLU  26 -12.396  12.640  -0.976
  205   1HG   GLU  26          2HG       GLU  26 -11.868  13.015  -3.319
  206   2HG   GLU  26          1HG       GLU  26 -10.531  11.872  -3.207
  207    H    GLY  27           H        GLY  27  -9.099  15.208   0.279
  208   1HA   GLY  27          1HA       GLY  27 -10.123  15.191   2.812
  209   2HA   GLY  27          2HA       GLY  27  -8.429  15.507   2.462
  210    H    GLY  28           H        GLY  28  -8.000  12.800   1.384
  211   1HA   GLY  28          2HA       GLY  28  -8.133  10.535   2.280
  212   2HA   GLY  28          1HA       GLY  28  -8.218  11.245   3.888
  213    H    HIS  29           H        HIS  29  -6.375   9.307   3.475
  214    HA   HIS  29           HA       HIS  29  -3.835  10.489   2.749
  215   1HB   HIS  29          2HB       HIS  29  -3.415   9.394   5.350
  216   2HB   HIS  29          1HB       HIS  29  -3.138  11.044   4.798
  217    HD1  HIS  29           HD1      HIS  29  -5.047  12.773   5.239
  218    HD2  HIS  29           HD2      HIS  29  -5.685   9.020   6.901
  219    HE1  HIS  29           HE1      HIS  29  -6.926  13.077   6.882
  220    HE2  HIS  29           HE2      HIS  29  -7.248  10.806   7.927
  221    H    LEU  30           H        LEU  30  -2.418   8.955   2.064
  222    HA   LEU  30           HA       LEU  30  -3.365   6.308   1.737
  223   1HB   LEU  30          2HB       LEU  30  -1.786   6.226   0.190
  224   2HB   LEU  30          1HB       LEU  30  -1.339   7.864   0.625
  225    HG   LEU  30           HG       LEU  30   0.052   6.447   2.478
  226   1HD1  LEU  30          1HD1      LEU  30  -0.801   4.518   0.626
  227   2HD1  LEU  30          3HD1      LEU  30   0.909   4.801   0.302
  228   3HD1  LEU  30          2HD1      LEU  30   0.383   4.329   1.918
  229   1HD2  LEU  30          2HD2      LEU  30   0.643   7.682  -0.127
  230   2HD2  LEU  30          1HD2      LEU  30   1.366   7.965   1.456
  231   3HD2  LEU  30          3HD2      LEU  30   1.876   6.580   0.489
  232    H    ALA  31           H        ALA  31  -3.262   4.641   3.039
  233    HA   ALA  31           HA       ALA  31  -2.528   4.748   5.677
  234   1HB   ALA  31          3HB       ALA  31  -3.104   2.573   3.775
  235   2HB   ALA  31          2HB       ALA  31  -2.243   2.112   5.245
  236   3HB   ALA  31          1HB       ALA  31  -3.808   2.923   5.355
  237    H    THR  32           H        THR  32  -0.837   3.480   6.822
  238    HA   THR  32           HA       THR  32   1.755   3.786   5.453
  239    HB   THR  32           HB       THR  32   2.778   4.301   7.496
  240    HG1  THR  32           HG1      THR  32   2.103   3.501   9.354
  241   1HG2  THR  32          1HG2      THR  32   0.654   5.820   6.634
  242   2HG2  THR  32          3HG2      THR  32   0.320   5.619   8.354
  243   3HG2  THR  32          2HG2      THR  32   1.853   6.314   7.830
  244    H    TYR  33           H        TYR  33   3.230   2.440   7.459
  245    HA   TYR  33           HA       TYR  33   2.866  -0.282   6.583
  246   1HB   TYR  33          2HB       TYR  33   5.125   0.390   6.739
  247   2HB   TYR  33          1HB       TYR  33   4.887   1.112   8.324
  248    HD1  TYR  33           HD1      TYR  33   4.662  -2.229   6.659
  249    HD2  TYR  33           HD2      TYR  33   5.656  -0.037  10.168
  250    HE1  TYR  33           HE1      TYR  33   5.454  -4.299   7.720
  251    HE2  TYR  33           HE2      TYR  33   6.452  -2.102  11.239
  252    HH   TYR  33           HH       TYR  33   5.816  -4.759  10.812
  253    H    LYS  34           H        LYS  34   3.491   0.921   9.847
  254    HA   LYS  34           HA       LYS  34   2.473  -1.175  11.272
  255   1HB   LYS  34          2HB       LYS  34   2.109   1.687  12.145
  256   2HB   LYS  34          1HB       LYS  34   2.330   0.272  13.162
  257   1HG   LYS  34          2HG       LYS  34   4.621   0.066  12.476
  258   2HG   LYS  34          1HG       LYS  34   4.423   1.361  11.293
  259   1HD   LYS  34          2HD       LYS  34   4.077   2.978  13.032
  260   2HD   LYS  34          1HD       LYS  34   4.050   1.714  14.263
  261   1HE   LYS  34          2HE       LYS  34   6.288   1.581  14.352
  262   2HE   LYS  34          1HE       LYS  34   6.461   1.726  12.603
  263   1HZ   LYS  34          2HZ       LYS  34   5.629   4.127  14.015
  264   2HZ   LYS  34          1HZ       LYS  34   7.216   3.617  14.295
  265   3HZ   LYS  34          3HZ       LYS  34   6.699   3.949  12.718
  266    H    GLN  35           H        GLN  35   0.705   1.505   9.820
  267    HA   GLN  35           HA       GLN  35  -1.786   0.961  11.040
  268   1HB   GLN  35          2HB       GLN  35  -1.088   2.360   8.453
  269   2HB   GLN  35          1HB       GLN  35  -2.703   2.317   9.140
  270   1HG   GLN  35          2HG       GLN  35  -1.891   3.469  11.133
  271   2HG   GLN  35          1HG       GLN  35  -0.270   3.515  10.442
  272   1HE2  GLN  35          1HE2      GLN  35  -1.378   5.835  11.198
  273   2HE2  GLN  35          2HE2      GLN  35  -1.833   6.778   9.825
  274    H    LEU  36           H        LEU  36  -0.536   0.176   7.795
  275    HA   LEU  36           HA       LEU  36  -2.708  -1.331   6.921
  276   1HB   LEU  36          2HB       LEU  36  -0.208  -0.670   5.925
  277   2HB   LEU  36          1HB       LEU  36  -0.144  -2.415   6.056
  278    HG   LEU  36           HG       LEU  36  -0.900  -1.439   3.827
  279   1HD1  LEU  36          1HD1      LEU  36  -1.517  -3.779   5.115
  280   2HD1  LEU  36          3HD1      LEU  36  -3.099  -3.183   4.613
  281   3HD1  LEU  36          2HD1      LEU  36  -1.828  -3.428   3.415
  282   1HD2  LEU  36          2HD2      LEU  36  -2.662  -0.037   5.428
  283   2HD2  LEU  36          1HD2      LEU  36  -2.734  -0.187   3.673
  284   3HD2  LEU  36          3HD2      LEU  36  -3.663  -1.287   4.691
  285    H    GLU  37           H        GLU  37  -0.241  -2.040   9.210
  286    HA   GLU  37           HA       GLU  37  -0.429  -4.874   9.179
  287   1HB   GLU  37          2HB       GLU  37   1.472  -3.591  10.159
  288   2HB   GLU  37          1HB       GLU  37   0.406  -3.073  11.457
  289   1HG   GLU  37          2HG       GLU  37   0.038  -5.659  11.735
  290   2HG   GLU  37          1HG       GLU  37   1.608  -5.737  10.936
  291    H    ALA  38           H        ALA  38  -1.582  -2.537  11.591
  292    HA   ALA  38           HA       ALA  38  -3.218  -4.309  12.982
  293   1HB   ALA  38          1HB       ALA  38  -2.476  -2.103  13.827
  294   2HB   ALA  38          2HB       ALA  38  -4.208  -2.373  14.021
  295   3HB   ALA  38          3HB       ALA  38  -3.616  -1.333  12.724
  296    H    ALA  39           H        ALA  39  -3.591  -3.059   9.888
  297    HA   ALA  39           HA       ALA  39  -6.512  -3.264   9.904
  298   1HB   ALA  39          2HB       ALA  39  -4.669  -2.483   7.646
  299   2HB   ALA  39          1HB       ALA  39  -6.427  -2.332   7.674
  300   3HB   ALA  39          3HB       ALA  39  -5.439  -1.348   8.755
  301    H    ARG  40           H        ARG  40  -3.642  -4.862   8.828
  302    HA   ARG  40           HA       ARG  40  -4.891  -6.700   7.041
  303   1HB   ARG  40          2HB       ARG  40  -2.575  -6.250   6.726
  304   2HB   ARG  40          1HB       ARG  40  -2.214  -6.585   8.414
  305   1HG   ARG  40          2HG       ARG  40  -3.282  -8.957   7.577
  306   2HG   ARG  40          1HG       ARG  40  -2.424  -8.404   6.138
  307   1HD   ARG  40          2HD       ARG  40  -0.482  -8.992   7.032
  308   2HD   ARG  40          1HD       ARG  40  -0.781  -7.952   8.423
  309    HE   ARG  40           HE       ARG  40  -2.154 -10.464   8.576
  310   1HH1  ARG  40          2HH1      ARG  40   0.859  -8.825   9.173
  311   2HH1  ARG  40          1HH1      ARG  40   1.373  -9.940  10.395
  312   1HH2  ARG  40          2HH2      ARG  40  -1.488 -11.939  10.184
  313   2HH2  ARG  40          1HH2      ARG  40   0.039 -11.710  10.969
  314    H    LYS  41           H        LYS  41  -4.082  -6.622  10.443
  315    HA   LYS  41           HA       LYS  41  -4.529  -9.372  10.950
  316   1HB   LYS  41          2HB       LYS  41  -4.794  -7.158  12.974
  317   2HB   LYS  41          1HB       LYS  41  -4.343  -8.834  13.258
  318   1HG   LYS  41          2HG       LYS  41  -2.330  -8.267  11.709
  319   2HG   LYS  41          1HG       LYS  41  -2.720  -6.601  12.140
  320   1HD   LYS  41          2HD       LYS  41  -2.738  -8.251  14.489
  321   2HD   LYS  41          1HD       LYS  41  -1.213  -8.451  13.623
  322   1HE   LYS  41          2HE       LYS  41  -1.159  -5.896  13.507
  323   2HE   LYS  41          1HE       LYS  41  -2.421  -5.939  14.736
  324   1HZ   LYS  41          1HZ       LYS  41  -0.872  -7.332  16.085
  325   2HZ   LYS  41          3HZ       LYS  41   0.341  -6.994  14.954
  326   3HZ   LYS  41          2HZ       LYS  41  -0.359  -5.739  15.847
  327    H    ILE  42           H        ILE  42  -6.650  -6.759  10.391
  328    HA   ILE  42           HA       ILE  42  -8.864  -7.933  11.862
  329    HB   ILE  42           HB       ILE  42 -10.120  -6.023  11.279
  330   1HG1  ILE  42          2HG1      ILE  42  -8.212  -4.717   9.488
  331   2HG1  ILE  42          1HG1      ILE  42  -8.849  -6.221   8.833
  332   1HG2  ILE  42          1HG2      ILE  42  -7.232  -5.336  11.756
  333   2HG2  ILE  42          3HG2      ILE  42  -8.510  -4.119  11.756
  334   3HG2  ILE  42          2HG2      ILE  42  -8.544  -5.433  12.931
  335   1HD1  ILE  42          3HD1      ILE  42 -10.535  -3.947   9.851
  336   2HD1  ILE  42          2HD1      ILE  42 -10.141  -4.240   8.157
  337   3HD1  ILE  42          1HD1      ILE  42 -11.104  -5.414   9.054
  338    H    GLY  43           H        GLY  43  -7.475  -8.114   8.753
  339   1HA   GLY  43          1HA       GLY  43  -9.967  -9.190   7.604
  340   2HA   GLY  43          2HA       GLY  43  -8.489 -10.141   7.561
  341    H    PHE  44           H        PHE  44  -7.214  -7.258   7.255
  342    HA   PHE  44           HA       PHE  44  -7.950  -6.624   4.533
  343   1HB   PHE  44          2HB       PHE  44  -7.221  -4.981   6.399
  344   2HB   PHE  44          1HB       PHE  44  -5.583  -5.474   5.984
  345    HD1  PHE  44           HD1      PHE  44  -7.390  -5.706   3.047
  346    HD2  PHE  44           HD2      PHE  44  -5.754  -2.805   5.697
  347    HE1  PHE  44           HE1      PHE  44  -7.361  -4.058   1.220
  348    HE2  PHE  44           HE2      PHE  44  -5.723  -1.153   3.875
  349    HZ   PHE  44           HZ       PHE  44  -6.527  -1.778   1.633
  350    H    HIS  45           H        HIS  45  -7.060  -7.459   2.770
  351    HA   HIS  45           HA       HIS  45  -4.280  -8.320   2.778
  352   1HB   HIS  45          2HB       HIS  45  -5.531 -10.327   3.469
  353   2HB   HIS  45          1HB       HIS  45  -6.537 -10.194   2.033
  354    HD1  HIS  45           HD1      HIS  45  -4.528 -12.583   2.881
  355    HD2  HIS  45           HD2      HIS  45  -3.946  -9.714  -0.067
  356    HE1  HIS  45           HE1      HIS  45  -2.880 -13.594   1.273
  357    HE2  HIS  45           HE2      HIS  45  -2.483 -11.810  -0.458
  358    H    VAL  46           H        VAL  46  -3.328  -7.698   0.947
  359    HA   VAL  46           HA       VAL  46  -4.842  -7.642  -1.544
  360    HB   VAL  46           HB       VAL  46  -3.265  -5.226  -1.383
  361   1HG1  VAL  46          2HG1      VAL  46  -5.882  -6.152  -2.306
  362   2HG1  VAL  46          1HG1      VAL  46  -5.862  -4.478  -1.749
  363   3HG1  VAL  46          3HG1      VAL  46  -4.766  -4.994  -3.030
  364   1HG2  VAL  46          3HG2      VAL  46  -3.822  -5.323   1.006
  365   2HG2  VAL  46          2HG2      VAL  46  -4.635  -3.982   0.196
  366   3HG2  VAL  46          1HG2      VAL  46  -5.533  -5.448   0.593
  367    H    CYS  47           H        CYS  47  -3.572  -9.105  -2.559
  368    HA   CYS  47           HA       CYS  47  -0.755  -9.241  -2.324
  369   1HB   CYS  47          2HB       CYS  47  -2.425 -11.050  -3.116
  370   2HB   CYS  47          1HB       CYS  47  -2.286 -10.284  -4.695
  371    H    ALA  48           H        ALA  48  -0.159  -7.016  -2.667
  372    HA   ALA  48           HA       ALA  48   0.934  -6.485  -5.161
  373   1HB   ALA  48          2HB       ALA  48  -1.447  -6.248  -5.850
  374   2HB   ALA  48          3HB       ALA  48  -0.477  -4.798  -6.116
  375   3HB   ALA  48          1HB       ALA  48  -1.584  -4.882  -4.744
  376    H    ALA  49           H        ALA  49   2.552  -5.129  -4.775
  377    HA   ALA  49           HA       ALA  49   3.186  -4.006  -2.378
  378   1HB   ALA  49          2HB       ALA  49   5.023  -3.473  -3.499
  379   2HB   ALA  49          1HB       ALA  49   4.209  -3.893  -5.005
  380   3HB   ALA  49          3HB       ALA  49   4.146  -2.237  -4.402
  381    H    GLY  50           H        GLY  50   2.071  -2.642  -1.146
  382   1HA   GLY  50          2HA       GLY  50   0.139  -1.170  -0.929
  383   2HA   GLY  50          1HA       GLY  50   0.590  -0.458  -2.471
  384    H    TRP  51           H        TRP  51   1.574   1.429  -2.376
  385    HA   TRP  51           HA       TRP  51   3.763   2.136  -0.891
  386   1HB   TRP  51          2HB       TRP  51   1.546   3.757  -2.097
  387   2HB   TRP  51          1HB       TRP  51   2.828   4.546  -1.184
  388    HD1  TRP  51           HD1      TRP  51   2.039   3.205  -4.565
  389    HE1  TRP  51           HE1      TRP  51   4.127   3.346  -6.077
  390    HE3  TRP  51           HE3      TRP  51   5.547   4.285  -1.009
  391    HZ2  TRP  51           HZ2      TRP  51   6.893   3.847  -5.789
  392    HZ3  TRP  51           HZ3      TRP  51   7.886   4.580  -1.704
  393    HH2  TRP  51           HH2      TRP  51   8.545   4.364  -4.046
  394    H    MET  52           H        MET  52   3.879   3.911   0.773
  395    HA   MET  52           HA       MET  52   1.728   4.175   2.641
  396   1HB   MET  52          2HB       MET  52   3.563   3.234   4.439
  397   2HB   MET  52          1HB       MET  52   2.186   2.325   3.835
  398   1HG   MET  52          2HG       MET  52   4.114   1.904   1.916
  399   2HG   MET  52          1HG       MET  52   5.025   1.901   3.425
  400   1HE   MET  52          2HE       MET  52   5.155  -0.022   5.017
  401   2HE   MET  52          1HE       MET  52   4.753  -1.623   4.398
  402   3HE   MET  52          3HE       MET  52   5.785  -0.548   3.456
  403    H    ALA  53           H        ALA  53   2.619   5.327   4.706
  404    HA   ALA  53           HA       ALA  53   3.667   7.769   3.975
  405   1HB   ALA  53          1HB       ALA  53   3.970   8.223   6.322
  406   2HB   ALA  53          2HB       ALA  53   3.934   6.499   6.696
  407   3HB   ALA  53          3HB       ALA  53   2.483   7.302   6.094
  408    H    LYS  54           H        LYS  54   5.716   8.769   4.812
  409    HA   LYS  54           HA       LYS  54   7.987   8.885   5.013
  410   1HB   LYS  54          2HB       LYS  54   7.856   5.870   5.067
  411   2HB   LYS  54          1HB       LYS  54   9.314   6.814   5.332
  412   1HG   LYS  54          2HG       LYS  54   6.938   7.366   7.031
  413   2HG   LYS  54          1HG       LYS  54   7.882   5.908   7.336
  414   1HD   LYS  54          2HD       LYS  54   9.297   8.516   7.030
  415   2HD   LYS  54          1HD       LYS  54   8.470   8.159   8.548
  416   1HE   LYS  54          2HE       LYS  54   9.865   5.835   7.968
  417   2HE   LYS  54          1HE       LYS  54  10.973   7.130   7.511
  418   1HZ   LYS  54          3HZ       LYS  54   9.648   7.518  10.048
  419   2HZ   LYS  54          2HZ       LYS  54  10.684   6.183  10.003
  420   3HZ   LYS  54          1HZ       LYS  54  11.275   7.723   9.632
  421    H    GLY  55           H        GLY  55   6.579   6.724   2.645
  422   1HA   GLY  55          1HA       GLY  55   8.607   7.661   0.718
  423   2HA   GLY  55          2HA       GLY  55   6.954   7.223   0.301
  424    H    ARG  56           H        ARG  56   7.282   4.896   2.256
  425    HA   ARG  56           HA       ARG  56   8.944   3.171   0.550
  426   1HB   ARG  56          2HB       ARG  56   9.274   1.742   2.415
  427   2HB   ARG  56          1HB       ARG  56   9.501   3.380   3.011
  428   1HG   ARG  56          2HG       ARG  56   6.779   2.797   3.357
  429   2HG   ARG  56          1HG       ARG  56   7.668   1.369   3.891
  430   1HD   ARG  56          2HD       ARG  56   8.604   4.062   4.758
  431   2HD   ARG  56          1HD       ARG  56   7.187   3.362   5.537
  432    HE   ARG  56           HE       ARG  56   9.721   1.876   5.420
  433   1HH1  ARG  56          2HH1      ARG  56   7.129   3.337   7.230
  434   2HH1  ARG  56          1HH1      ARG  56   7.622   2.649   8.740
  435   1HH2  ARG  56          2HH2      ARG  56  10.380   0.963   7.404
  436   2HH2  ARG  56          1HH2      ARG  56   9.471   1.298   8.840
  437    H    VAL  57           H        VAL  57   8.156   1.024   0.088
  438    HA   VAL  57           HA       VAL  57   5.257   0.680   0.342
  439    HB   VAL  57           HB       VAL  57   5.176   1.388  -1.821
  440   1HG1  VAL  57          2HG1      VAL  57   8.024   0.582  -1.903
  441   2HG1  VAL  57          1HG1      VAL  57   7.148   0.648  -3.433
  442   3HG1  VAL  57          3HG1      VAL  57   7.253   2.084  -2.413
  443   1HG2  VAL  57          3HG2      VAL  57   5.827  -1.534  -1.906
  444   2HG2  VAL  57          2HG2      VAL  57   4.263  -0.736  -2.075
  445   3HG2  VAL  57          1HG2      VAL  57   5.444  -0.648  -3.382
  446    H    GLY  58           H        GLY  58   4.649  -1.344   0.846
  447   1HA   GLY  58          2HA       GLY  58   5.898  -3.272   2.017
  448   2HA   GLY  58          1HA       GLY  58   6.569  -3.534   0.414
  449    H    TYR  59           H        TYR  59   5.321  -5.620   1.481
  450    HA   TYR  59           HA       TYR  59   2.596  -5.622   0.379
  451   1HB   TYR  59          2HB       TYR  59   3.937  -8.165  -0.033
  452   2HB   TYR  59          1HB       TYR  59   3.057  -7.163  -1.185
  453    HD1  TYR  59           HD1      TYR  59   4.332  -5.110  -2.134
  454    HD2  TYR  59           HD2      TYR  59   6.242  -8.408  -0.243
  455    HE1  TYR  59           HE1      TYR  59   6.445  -4.512  -3.239
  456    HE2  TYR  59           HE2      TYR  59   8.360  -7.819  -1.343
  457    HH   TYR  59           HH       TYR  59   8.902  -6.431  -3.671
  458    HA   PRO  60           HA       PRO  60   2.178  -7.221   4.604
  459   1HB   PRO  60          2HB       PRO  60  -0.584  -7.215   4.460
  460   2HB   PRO  60          1HB       PRO  60   0.403  -5.855   4.995
  461   1HG   PRO  60          2HG       PRO  60  -0.866  -6.351   2.346
  462   2HG   PRO  60          1HG       PRO  60  -0.662  -4.828   3.228
  463   1HD   PRO  60          2HD       PRO  60   0.898  -5.501   1.133
  464   2HD   PRO  60          1HD       PRO  60   1.508  -4.551   2.502
  465    H    ILE  61           H        ILE  61  -0.729  -8.294   3.002
  466    HA   ILE  61           HA       ILE  61  -1.491 -10.343   2.351
  467    HB   ILE  61           HB       ILE  61   1.359 -11.325   2.493
  468   1HG1  ILE  61          1HG1      ILE  61   1.258  -9.351   1.053
  469   2HG1  ILE  61          2HG1      ILE  61   1.493 -10.804   0.086
  470   1HG2  ILE  61          3HG2      ILE  61  -0.614 -12.940   2.328
  471   2HG2  ILE  61          2HG2      ILE  61  -0.833 -12.308   0.697
  472   3HG2  ILE  61          1HG2      ILE  61   0.676 -13.106   1.139
  473   1HD1  ILE  61          2HD1      ILE  61  -1.176 -10.649   0.009
  474   2HD1  ILE  61          1HD1      ILE  61  -0.780  -8.939   0.183
  475   3HD1  ILE  61          3HD1      ILE  61  -0.119  -9.864  -1.164
  476    H    VAL  62           H        VAL  62  -2.688 -11.163   3.946
  477    HA   VAL  62           HA       VAL  62  -1.815 -11.677   6.555
  478    HB   VAL  62           HB       VAL  62  -4.135 -13.068   5.224
  479   1HG1  VAL  62          1HG1      VAL  62  -3.534 -12.306   8.077
  480   2HG1  VAL  62          3HG1      VAL  62  -5.095 -12.908   7.521
  481   3HG1  VAL  62          2HG1      VAL  62  -3.663 -13.932   7.405
  482   1HG2  VAL  62          2HG2      VAL  62  -3.987 -10.281   6.361
  483   2HG2  VAL  62          1HG2      VAL  62  -4.376 -10.745   4.704
  484   3HG2  VAL  62          3HG2      VAL  62  -5.494 -11.130   6.013
  485    H    LYS  63           H        LYS  63  -2.915 -14.185   4.274
  486    HA   LYS  63           HA       LYS  63  -1.035 -16.050   5.537
  487   1HB   LYS  63          2HB       LYS  63  -3.671 -16.327   4.209
  488   2HB   LYS  63          1HB       LYS  63  -2.530 -17.639   3.958
  489   1HG   LYS  63          2HG       LYS  63  -2.280 -17.537   6.555
  490   2HG   LYS  63          1HG       LYS  63  -3.849 -16.730   6.468
  491   1HD   LYS  63          2HD       LYS  63  -4.757 -18.633   5.224
  492   2HD   LYS  63          1HD       LYS  63  -3.191 -19.440   5.313
  493   1HE   LYS  63          2HE       LYS  63  -3.817 -20.340   7.241
  494   2HE   LYS  63          1HE       LYS  63  -3.841 -18.725   7.944
  495   1HZ   LYS  63          1HZ       LYS  63  -6.184 -19.531   6.410
  496   2HZ   LYS  63          3HZ       LYS  63  -5.959 -20.284   7.907
  497   3HZ   LYS  63          2HZ       LYS  63  -6.080 -18.600   7.817
  498    HA   PRO  64           HA       PRO  64   1.769 -16.374   2.173
  499   1HB   PRO  64          2HB       PRO  64   1.205 -19.296   2.135
  500   2HB   PRO  64          1HB       PRO  64   2.749 -18.449   2.263
  501   1HG   PRO  64          2HG       PRO  64   1.629 -19.613   4.390
  502   2HG   PRO  64          1HG       PRO  64   2.512 -18.085   4.533
  503   1HD   PRO  64          2HD       PRO  64  -0.420 -18.593   4.591
  504   2HD   PRO  64          1HD       PRO  64   0.532 -17.359   5.442
  505    H    GLY  65           H        GLY  65   1.737 -16.352  -0.035
  506   1HA   GLY  65          2HA       GLY  65   0.414 -15.928  -1.959
  507   2HA   GLY  65          1HA       GLY  65  -0.845 -16.950  -1.286
  508    HA   PRO  66           HA       PRO  66   0.713 -20.583  -3.273
  509   1HB   PRO  66          2HB       PRO  66  -1.068 -20.737  -5.322
  510   2HB   PRO  66          1HB       PRO  66  -1.470 -21.172  -3.658
  511   1HG   PRO  66          2HG       PRO  66  -2.038 -18.638  -5.147
  512   2HG   PRO  66          1HG       PRO  66  -3.095 -19.556  -4.057
  513   1HD   PRO  66          2HD       PRO  66  -1.776 -17.327  -3.269
  514   2HD   PRO  66          1HD       PRO  66  -2.117 -18.675  -2.163
  515    H    ASN  67           H        ASN  67  -0.569 -18.757  -6.010
  516    HA   ASN  67           HA       ASN  67   2.064 -18.931  -7.284
  517   1HB   ASN  67          2HB       ASN  67   0.400 -18.038  -9.246
  518   2HB   ASN  67          1HB       ASN  67   0.727 -19.737  -8.920
  519   1HD2  ASN  67          1HD2      ASN  67  -1.322 -17.209  -7.497
  520   2HD2  ASN  67          2HD2      ASN  67  -2.767 -18.156  -7.479
  521    H    CYS  68           H        CYS  68   0.365 -16.771  -5.502
  522    HA   CYS  68           HA       CYS  68   0.599 -14.365  -6.952
  523   1HB   CYS  68          2HB       CYS  68  -0.371 -15.142  -4.439
  524   2HB   CYS  68          1HB       CYS  68   0.893 -13.966  -4.101
  525    H    GLY  69           H        GLY  69   2.930 -16.315  -5.373
  526   1HA   GLY  69          1HA       GLY  69   4.938 -14.190  -5.783
  527   2HA   GLY  69          2HA       GLY  69   5.263 -15.915  -5.911
  528    H    PHE  70           H        PHE  70   3.824 -16.667  -3.537
  529    HA   PHE  70           HA       PHE  70   4.158 -16.959  -1.307
  530   1HB   PHE  70          2HB       PHE  70   6.889 -16.138  -2.248
  531   2HB   PHE  70          1HB       PHE  70   6.585 -16.403  -0.534
  532    HD1  PHE  70           HD1      PHE  70   5.644 -18.663   0.167
  533    HD2  PHE  70           HD2      PHE  70   7.354 -17.925  -3.659
  534    HE1  PHE  70           HE1      PHE  70   5.986 -21.081  -0.141
  535    HE2  PHE  70           HE2      PHE  70   7.700 -20.341  -3.975
  536    HZ   PHE  70           HZ       PHE  70   7.015 -21.922  -2.215
  537    H    GLY  71           H        GLY  71   2.746 -15.487  -0.446
  538   1HA   GLY  71          1HA       GLY  71   1.996 -13.515   0.496
  539   2HA   GLY  71          2HA       GLY  71   3.345 -12.687  -0.275
  540    H    LYS  72           H        LYS  72   4.788 -15.140   1.252
  541    HA   LYS  72           HA       LYS  72   5.761 -15.493   3.297
  542   1HB   LYS  72          2HB       LYS  72   6.630 -13.119   2.070
  543   2HB   LYS  72          1HB       LYS  72   6.511 -12.765   3.790
  544   1HG   LYS  72          2HG       LYS  72   7.958 -14.642   4.302
  545   2HG   LYS  72          1HG       LYS  72   8.034 -15.070   2.591
  546   1HD   LYS  72          2HD       LYS  72   8.936 -12.413   3.690
  547   2HD   LYS  72          1HD       LYS  72  10.014 -13.791   3.458
  548   1HE   LYS  72          2HE       LYS  72   8.358 -13.062   1.133
  549   2HE   LYS  72          1HE       LYS  72   9.577 -11.876   1.601
  550   1HZ   LYS  72          1HZ       LYS  72  10.915 -14.237   1.702
  551   2HZ   LYS  72          3HZ       LYS  72   9.910 -14.438   0.356
  552   3HZ   LYS  72          2HZ       LYS  72  10.975 -13.126   0.428
  553    H    THR  73           H        THR  73   6.183 -13.870   5.479
  554    HA   THR  73           HA       THR  73   3.449 -13.556   6.530
  555    HB   THR  73           HB       THR  73   4.965 -13.754   8.771
  556    HG1  THR  73           HG1      THR  73   6.399 -15.567   8.323
  557   1HG2  THR  73          1HG2      THR  73   3.342 -15.623   7.165
  558   2HG2  THR  73          3HG2      THR  73   4.374 -16.359   8.392
  559   3HG2  THR  73          2HG2      THR  73   3.181 -15.145   8.855
  560    H    GLY  74           H        GLY  74   2.840 -11.618   7.261
  561   1HA   GLY  74          2HA       GLY  74   4.769  -9.731   8.316
  562   2HA   GLY  74          1HA       GLY  74   3.024  -9.513   8.238
  563    H    ILE  75           H        ILE  75   4.109  -7.306   7.613
  564    HA   ILE  75           HA       ILE  75   3.650  -6.996   4.799
  565    HB   ILE  75           HB       ILE  75   4.604  -4.946   6.800
  566   1HG1  ILE  75          1HG1      ILE  75   1.911  -5.979   6.035
  567   2HG1  ILE  75          2HG1      ILE  75   2.508  -5.464   7.609
  568   1HG2  ILE  75          3HG2      ILE  75   4.672  -4.783   4.069
  569   2HG2  ILE  75          2HG2      ILE  75   3.114  -4.051   4.453
  570   3HG2  ILE  75          1HG2      ILE  75   4.591  -3.410   5.174
  571   1HD1  ILE  75          1HD1      ILE  75   2.489  -3.103   6.625
  572   2HD1  ILE  75          3HD1      ILE  75   1.480  -3.794   5.355
  573   3HD1  ILE  75          2HD1      ILE  75   0.945  -3.851   7.036
  574    H    ILE  76           H        ILE  76   5.146  -7.599   3.401
  575    HA   ILE  76           HA       ILE  76   7.955  -7.550   4.014
  576    HB   ILE  76           HB       ILE  76   6.834  -7.985   1.266
  577   1HG1  ILE  76          1HG1      ILE  76   5.430  -9.355   2.654
  578   2HG1  ILE  76          2HG1      ILE  76   6.616 -10.407   1.889
  579   1HG2  ILE  76          2HG2      ILE  76   9.372  -7.959   2.142
  580   2HG2  ILE  76          1HG2      ILE  76   8.980  -9.660   2.394
  581   3HG2  ILE  76          3HG2      ILE  76   8.817  -8.946   0.789
  582   1HD1  ILE  76          3HD1      ILE  76   7.198  -9.324   4.593
  583   2HD1  ILE  76          2HD1      ILE  76   6.041 -10.644   4.423
  584   3HD1  ILE  76          1HD1      ILE  76   7.698 -10.844   3.852
  585    H    ASP  77           H        ASP  77   8.238  -5.286   4.405
  586    HA   ASP  77           HA       ASP  77   8.182  -3.623   1.978
  587   1HB   ASP  77          2HB       ASP  77   6.859  -2.499   3.529
  588   2HB   ASP  77          1HB       ASP  77   7.867  -2.981   4.890
  589    H    TYR  78           H        TYR  78  10.065  -3.190   1.063
  590    HA   TYR  78           HA       TYR  78  12.534  -3.823   2.428
  591   1HB   TYR  78          2HB       TYR  78  12.008  -2.778  -0.362
  592   2HB   TYR  78          1HB       TYR  78  13.587  -3.258   0.249
  593    HD1  TYR  78           HD1      TYR  78  10.151  -4.749   0.229
  594    HD2  TYR  78           HD2      TYR  78  14.301  -5.297  -0.535
  595    HE1  TYR  78           HE1      TYR  78   9.710  -7.066  -0.463
  596    HE2  TYR  78           HE2      TYR  78  13.872  -7.616  -1.231
  597    HH   TYR  78           HH       TYR  78  12.102  -9.373  -0.795
  598    H    GLY  79           H        GLY  79  10.663  -1.351   2.896
  599   1HA   GLY  79          2HA       GLY  79  12.750   0.398   3.730
  600   2HA   GLY  79          1HA       GLY  79  11.024   0.754   3.760
  601    H    ILE  80           H        ILE  80  12.030   2.914   3.144
  602    HA   ILE  80           HA       ILE  80  11.406   3.499   0.479
  603    HB   ILE  80           HB       ILE  80  13.183   5.174   2.248
  604   1HG1  ILE  80          1HG1      ILE  80  10.215   5.537   2.113
  605   2HG1  ILE  80          2HG1      ILE  80  10.875   4.301   3.178
  606   1HG2  ILE  80          1HG2      ILE  80  12.881   5.741  -0.205
  607   2HG2  ILE  80          3HG2      ILE  80  11.197   6.088   0.186
  608   3HG2  ILE  80          2HG2      ILE  80  12.489   7.013   0.952
  609   1HD1  ILE  80          2HD1      ILE  80  12.391   6.281   3.995
  610   2HD1  ILE  80          1HD1      ILE  80  11.068   7.255   3.351
  611   3HD1  ILE  80          3HD1      ILE  80  10.753   6.062   4.612
  612    H    ARG  81           H        ARG  81  12.496   2.992  -1.295
  613    HA   ARG  81           HA       ARG  81  15.402   2.611  -1.125
  614   1HB   ARG  81          2HB       ARG  81  13.308   1.620  -3.047
  615   2HB   ARG  81          1HB       ARG  81  15.019   1.569  -3.452
  616   1HG   ARG  81          2HG       ARG  81  14.532   0.457  -0.833
  617   2HG   ARG  81          1HG       ARG  81  13.568  -0.350  -2.071
  618   1HD   ARG  81          2HD       ARG  81  15.364  -1.302  -3.022
  619   2HD   ARG  81          1HD       ARG  81  16.341   0.155  -2.856
  620    HE   ARG  81           HE       ARG  81  16.360  -0.656  -0.360
  621   1HH1  ARG  81          1HH1      ARG  81  16.643  -2.566  -3.258
  622   2HH1  ARG  81          2HH1      ARG  81  17.615  -3.790  -2.512
  623   1HH2  ARG  81          1HH2      ARG  81  17.640  -2.263   0.633
  624   2HH2  ARG  81          2HH2      ARG  81  18.182  -3.618  -0.300
  625    H    LEU  82           H        LEU  82  13.801   5.191  -1.421
  626    HA   LEU  82           HA       LEU  82  13.936   7.165  -2.545
  627   1HB   LEU  82          2HB       LEU  82  16.475   6.292  -2.089
  628   2HB   LEU  82          1HB       LEU  82  16.506   6.524  -3.824
  629    HG   LEU  82           HG       LEU  82  17.321   8.516  -2.760
  630   1HD1  LEU  82          3HD1      LEU  82  14.589   8.728  -3.975
  631   2HD1  LEU  82          2HD1      LEU  82  15.493  10.160  -3.482
  632   3HD1  LEU  82          1HD1      LEU  82  16.156   9.074  -4.704
  633   1HD2  LEU  82          1HD2      LEU  82  15.757   7.906  -0.667
  634   2HD2  LEU  82          3HD2      LEU  82  16.441   9.510  -0.936
  635   3HD2  LEU  82          2HD2      LEU  82  14.779   9.167  -1.415
  636    H    ASN  83           H        ASN  83  12.638   5.014  -3.911
  637    HA   ASN  83           HA       ASN  83  13.088   5.879  -6.686
  638   1HB   ASN  83          2HB       ASN  83  13.465   3.264  -5.659
  639   2HB   ASN  83          1HB       ASN  83  12.007   3.225  -6.646
  640   1HD2  ASN  83          1HD2      ASN  83  12.278   4.468  -8.778
  641   2HD2  ASN  83          2HD2      ASN  83  13.733   4.138  -9.651
  642    H    ARG  84           H        ARG  84  11.297   7.246  -5.311
  643    HA   ARG  84           HA       ARG  84   8.709   6.210  -5.098
  644   1HB   ARG  84          2HB       ARG  84   9.452   9.072  -5.704
  645   2HB   ARG  84          1HB       ARG  84   7.980   8.498  -4.938
  646   1HG   ARG  84          2HG       ARG  84   8.945   8.283  -2.921
  647   2HG   ARG  84          1HG       ARG  84  10.482   7.741  -3.595
  648   1HD   ARG  84          2HD       ARG  84  11.082   9.998  -4.174
  649   2HD   ARG  84          1HD       ARG  84   9.495  10.586  -3.682
  650    HE   ARG  84           HE       ARG  84  10.843   9.263  -1.549
  651   1HH1  ARG  84          2HH1      ARG  84  10.675  12.260  -3.315
  652   2HH1  ARG  84          1HH1      ARG  84  11.266  13.219  -1.998
  653   1HH2  ARG  84          1HH2      ARG  84  11.621  10.516   0.190
  654   2HH2  ARG  84          2HH2      ARG  84  11.804  12.227  -0.007
  655    H    SER  85           H        SER  85  10.527   6.609  -7.836
  656    HA   SER  85           HA       SER  85   8.316   7.330  -9.587
  657   1HB   SER  85          2HB       SER  85  10.876   7.997  -9.797
  658   2HB   SER  85          1HB       SER  85  10.968   6.459 -10.653
  659    HG   SER  85           HG       SER  85  10.147   8.769 -11.598
  660    H    GLU  86           H        GLU  86   8.541   4.753  -8.005
  661    HA   GLU  86           HA       GLU  86   8.779   2.718 -10.046
  662   1HB   GLU  86          2HB       GLU  86   8.298   2.744  -7.098
  663   2HB   GLU  86          1HB       GLU  86   7.844   1.313  -8.015
  664   1HG   GLU  86          2HG       GLU  86  10.544   2.362  -8.533
  665   2HG   GLU  86          1HG       GLU  86  10.267   1.697  -6.923
  666    H    ARG  87           H        ARG  87   6.812   0.937  -9.542
  667    HA   ARG  87           HA       ARG  87   4.284   2.389  -9.840
  668   1HB   ARG  87          2HB       ARG  87   4.878   0.085 -11.659
  669   2HB   ARG  87          1HB       ARG  87   3.671   1.351 -11.826
  670   1HG   ARG  87          2HG       ARG  87   5.100   2.764 -12.838
  671   2HG   ARG  87          1HG       ARG  87   6.466   2.265 -11.841
  672   1HD   ARG  87          2HD       ARG  87   7.161   1.356 -13.793
  673   2HD   ARG  87          1HD       ARG  87   6.138   0.024 -13.257
  674    HE   ARG  87           HE       ARG  87   4.681   0.495 -14.963
  675   1HH1  ARG  87          1HH1      ARG  87   6.890   3.157 -14.566
  676   2HH1  ARG  87          2HH1      ARG  87   6.375   3.970 -16.005
  677   1HH2  ARG  87          2HH2      ARG  87   3.994   1.555 -16.861
  678   2HH2  ARG  87          1HH2      ARG  87   4.727   3.058 -17.311
  679    H    TRP  88           H        TRP  88   2.996   1.675  -8.337
  680    HA   TRP  88           HA       TRP  88   2.466  -1.154  -8.036
  681   1HB   TRP  88          2HB       TRP  88   3.072   0.315  -5.492
  682   2HB   TRP  88          1HB       TRP  88   3.053  -1.418  -5.798
  683    HD1  TRP  88           HD1      TRP  88   5.344   1.552  -5.703
  684    HE1  TRP  88           HE1      TRP  88   7.750   0.799  -6.229
  685    HE3  TRP  88           HE3      TRP  88   4.377  -3.211  -7.292
  686    HZ2  TRP  88           HZ2      TRP  88   9.063  -1.510  -7.188
  687    HZ3  TRP  88           HZ3      TRP  88   6.264  -4.626  -7.994
  688    HH2  TRP  88           HH2      TRP  88   8.557  -3.791  -7.943
  689    H    ASP  89           H        ASP  89   0.996  -1.019  -5.681
  690    HA   ASP  89           HA       ASP  89  -1.297   0.509  -6.589
  691   1HB   ASP  89          2HB       ASP  89  -1.311  -1.186  -4.123
  692   2HB   ASP  89          1HB       ASP  89  -2.589  -0.911  -5.298
  693    H    ALA  90           H        ALA  90  -2.651   1.157  -4.389
  694    HA   ALA  90           HA       ALA  90  -0.888   2.671  -2.617
  695   1HB   ALA  90          1HB       ALA  90  -1.414   4.169  -4.504
  696   2HB   ALA  90          2HB       ALA  90  -2.073   4.752  -2.975
  697   3HB   ALA  90          3HB       ALA  90  -3.132   3.977  -4.152
  698    H    TYR  91           H        TYR  91  -1.651   2.794  -0.559
  699    HA   TYR  91           HA       TYR  91  -4.244   1.544  -0.039
  700   1HB   TYR  91          2HB       TYR  91  -1.787   2.040   1.615
  701   2HB   TYR  91          1HB       TYR  91  -3.327   1.705   2.392
  702    HD1  TYR  91           HD1      TYR  91  -4.574  -0.455   1.481
  703    HD2  TYR  91           HD2      TYR  91  -0.395   0.270   1.122
  704    HE1  TYR  91           HE1      TYR  91  -4.184  -2.866   1.200
  705    HE2  TYR  91           HE2      TYR  91   0.003  -2.139   0.841
  706    HH   TYR  91           HH       TYR  91  -2.195  -4.283  -0.001
  707    H    CYS  92           H        CYS  92  -5.915   2.904   0.080
  708    HA   CYS  92           HA       CYS  92  -5.492   5.659   0.904
  709   1HB   CYS  92          2HB       CYS  92  -7.711   4.160  -0.423
  710   2HB   CYS  92          1HB       CYS  92  -8.071   5.679   0.386
  711    H    TYR  93           H        TYR  93  -6.218   6.564   2.752
  712    HA   TYR  93           HA       TYR  93  -7.851   4.945   4.572
  713   1HB   TYR  93          2HB       TYR  93  -5.540   4.613   5.254
  714   2HB   TYR  93          1HB       TYR  93  -5.271   6.346   5.287
  715    HD1  TYR  93           HD1      TYR  93  -7.304   7.540   6.798
  716    HD2  TYR  93           HD2      TYR  93  -5.609   3.675   7.349
  717    HE1  TYR  93           HE1      TYR  93  -7.967   7.593   9.165
  718    HE2  TYR  93           HE2      TYR  93  -6.269   3.719   9.717
  719    HH   TYR  93           HH       TYR  93  -8.391   6.099  10.994
  720    H    ASN  94           H        ASN  94  -9.507   6.064   5.363
  721    HA   ASN  94           HA       ASN  94  -9.268   8.982   5.614
  722   1HB   ASN  94          2HB       ASN  94 -11.468   7.433   4.259
  723   2HB   ASN  94          1HB       ASN  94 -11.728   9.059   4.880
  724   1HD2  ASN  94          2HD2      ASN  94 -12.063  10.012   2.926
  725   2HD2  ASN  94          1HD2      ASN  94 -10.828  10.196   1.733
  726    HA   PRO  95           HA       PRO  95 -10.801   8.680   9.725
  727   1HB   PRO  95          2HB       PRO  95 -12.865  10.667   8.882
  728   2HB   PRO  95          1HB       PRO  95 -11.779  10.695  10.276
  729   1HG   PRO  95          2HG       PRO  95 -11.295  12.210   8.135
  730   2HG   PRO  95          1HG       PRO  95  -9.974  11.429   9.022
  731   1HD   PRO  95          1HD       PRO  95 -11.158  10.730   6.384
  732   2HD   PRO  95          2HD       PRO  95  -9.493  10.535   6.964
  733    H    HIS  96           H        HIS  96 -13.129   8.668   7.082
  734    HA   HIS  96           HA       HIS  96 -14.764   6.746   8.602
  735   1HB   HIS  96          2HB       HIS  96 -15.869   8.976   8.291
  736   2HB   HIS  96          1HB       HIS  96 -15.790   8.719   6.550
  737    HD1  HIS  96           HD1      HIS  96 -18.426   8.844   6.557
  738    HD2  HIS  96           HD2      HIS  96 -16.799   5.614   8.602
  739    HE1  HIS  96           HE1      HIS  96 -20.331   7.236   6.898
  740    HE2  HIS  96           HE2      HIS  96 -19.340   5.328   8.213
  741    H    ALA  97           H        ALA  97 -13.375   7.708   5.546
  742    HA   ALA  97           HA       ALA  97 -13.432   6.690   3.460
  743   1HB   ALA  97          3HB       ALA  97 -11.453   5.747   4.042
  744   2HB   ALA  97          1HB       ALA  97 -12.398   4.266   3.882
  745   3HB   ALA  97          2HB       ALA  97 -12.120   4.967   5.477
  746    H    LYS  98           H        LYS  98 -15.891   6.694   3.562
  747    HA   LYS  98           HA       LYS  98 -17.056   4.041   3.887
  748   1HB   LYS  98          2HB       LYS  98 -18.051   6.429   4.560
  749   2HB   LYS  98          1HB       LYS  98 -18.680   6.337   2.919
  750   1HG   LYS  98          2HG       LYS  98 -19.309   3.871   3.898
  751   2HG   LYS  98          1HG       LYS  98 -19.485   4.892   5.326
  752   1HD   LYS  98          2HD       LYS  98 -20.792   6.452   3.673
  753   2HD   LYS  98          1HD       LYS  98 -20.977   4.966   2.741
  754   1HE   LYS  98          2HE       LYS  98 -22.111   3.883   4.517
  755   2HE   LYS  98          1HE       LYS  98 -21.679   5.155   5.659
  756   1HZ   LYS  98          2HZ       LYS  98 -23.079   6.689   4.410
  757   2HZ   LYS  98          1HZ       LYS  98 -23.509   5.452   3.339
  758   3HZ   LYS  98          3HZ       LYS  98 -23.972   5.364   4.965

  No H/Q in entry =         758
  Start of MODEL    4
    1    H1   GLY   1          2H        GLY   1  -9.439   3.963   9.326
    2    H2   GLY   1          1H        GLY   1 -10.865   3.451  10.077
    3    H3   GLY   1          3H        GLY   1  -9.799   2.313   9.421
    4   1HA   GLY   1          1HA       GLY   1 -11.479   4.264   7.958
    5   2HA   GLY   1          2HA       GLY   1 -11.610   2.514   7.921
    6    H    VAL   2           H        VAL   2  -9.012   1.750   7.613
    7    HA   VAL   2           HA       VAL   2  -8.058   3.111   5.200
    8    HB   VAL   2           HB       VAL   2  -6.314   2.893   6.772
    9   1HG1  VAL   2          3HG1      VAL   2  -7.710   0.589   7.601
   10   2HG1  VAL   2          2HG1      VAL   2  -6.076   0.083   7.173
   11   3HG1  VAL   2          1HG1      VAL   2  -6.320   1.359   8.366
   12   1HG2  VAL   2          1HG2      VAL   2  -5.972   2.042   4.322
   13   2HG2  VAL   2          3HG2      VAL   2  -4.692   1.851   5.520
   14   3HG2  VAL   2          2HG2      VAL   2  -5.731   0.485   5.114
   15    H    TYR   3           H        TYR   3  -7.678   2.013   3.282
   16    HA   TYR   3           HA       TYR   3  -8.320  -0.804   3.078
   17   1HB   TYR   3          2HB       TYR   3 -10.003  -0.431   1.283
   18   2HB   TYR   3          1HB       TYR   3 -10.532   0.151   2.857
   19    HD1  TYR   3           HD1      TYR   3 -10.238   2.668   3.336
   20    HD2  TYR   3           HD2      TYR   3 -10.060   0.985  -0.568
   21    HE1  TYR   3           HE1      TYR   3 -10.701   4.880   2.368
   22    HE2  TYR   3           HE2      TYR   3 -10.524   3.193  -1.546
   23    HH   TYR   3           HH       TYR   3 -10.105   5.942  -0.169
   24    H    HIS   4           H        HIS   4  -8.375  -1.269   0.490
   25    HA   HIS   4           HA       HIS   4  -5.768  -0.312  -0.418
   26   1HB   HIS   4          2HB       HIS   4  -5.973  -2.696  -0.419
   27   2HB   HIS   4          1HB       HIS   4  -7.508  -2.625  -1.278
   28    HD1  HIS   4           HD1      HIS   4  -7.244  -3.338  -3.617
   29    HD2  HIS   4           HD2      HIS   4  -3.874  -1.337  -2.237
   30    HE1  HIS   4           HE1      HIS   4  -5.646  -3.296  -5.558
   31    HE2  HIS   4           HE2      HIS   4  -3.583  -2.149  -4.676
   32    H    ARG   5           H        ARG   5  -5.426   0.384  -2.589
   33    HA   ARG   5           HA       ARG   5  -7.767   1.131  -4.151
   34   1HB   ARG   5          2HB       ARG   5  -7.222   3.013  -2.540
   35   2HB   ARG   5          1HB       ARG   5  -5.711   3.210  -3.414
   36   1HG   ARG   5          2HG       ARG   5  -7.076   4.796  -4.387
   37   2HG   ARG   5          1HG       ARG   5  -7.218   3.435  -5.501
   38   1HD   ARG   5          2HD       ARG   5  -9.426   3.798  -5.270
   39   2HD   ARG   5          1HD       ARG   5  -9.223   2.872  -3.784
   40    HE   ARG   5           HE       ARG   5  -8.897   5.156  -2.717
   41   1HH1  ARG   5          1HH1      ARG   5 -10.894   4.608  -5.517
   42   2HH1  ARG   5          2HH1      ARG   5 -11.949   5.942  -5.186
   43   1HH2  ARG   5          2HH2      ARG   5 -10.280   6.915  -2.273
   44   2HH2  ARG   5          1HH2      ARG   5 -11.600   7.253  -3.342
   45    H    GLU   6           H        GLU   6  -7.311   1.599  -6.337
   46    HA   GLU   6           HA       GLU   6  -4.589   0.859  -7.194
   47   1HB   GLU   6          2HB       GLU   6  -6.021  -0.942  -7.801
   48   2HB   GLU   6          1HB       GLU   6  -7.257   0.150  -8.407
   49   1HG   GLU   6          2HG       GLU   6  -5.840   0.772 -10.263
   50   2HG   GLU   6          1HG       GLU   6  -4.536  -0.232  -9.631
   51    H    ALA   7           H        ALA   7  -4.245   1.570  -9.570
   52    HA   ALA   7           HA       ALA   7  -4.595   4.430  -9.624
   53   1HB   ALA   7          1HB       ALA   7  -2.691   4.348 -10.757
   54   2HB   ALA   7          3HB       ALA   7  -2.749   2.586 -10.705
   55   3HB   ALA   7          2HB       ALA   7  -3.477   3.452 -12.058
   56    H    ARG   8           H        ARG   8  -5.388   5.578 -11.532
   57    HA   ARG   8           HA       ARG   8  -7.985   4.789 -12.242
   58   1HB   ARG   8          2HB       ARG   8  -6.105   6.879 -13.304
   59   2HB   ARG   8          1HB       ARG   8  -7.678   6.618 -14.046
   60   1HG   ARG   8          2HG       ARG   8  -7.520   7.042 -11.103
   61   2HG   ARG   8          1HG       ARG   8  -7.351   8.424 -12.186
   62   1HD   ARG   8          2HD       ARG   8  -9.595   6.592 -12.752
   63   2HD   ARG   8          1HD       ARG   8  -9.714   7.529 -11.264
   64    HE   ARG   8           HE       ARG   8  -9.839   8.532 -13.974
   65   1HH1  ARG   8          1HH1      ARG   8  -9.384   9.288 -10.604
   66   2HH1  ARG   8          2HH1      ARG   8  -9.811  10.957 -10.787
   67   1HH2  ARG   8          1HH2      ARG   8 -10.404  10.728 -14.226
   68   2HH2  ARG   8          2HH2      ARG   8 -10.390  11.775 -12.846
   69    H    SER   9           H        SER   9  -4.895   4.187 -13.713
   70    HA   SER   9           HA       SER   9  -6.107   3.165 -16.155
   71   1HB   SER   9          2HB       SER   9  -3.521   2.599 -16.516
   72   2HB   SER   9          1HB       SER   9  -4.171   4.214 -16.798
   73    HG   SER   9           HG       SER   9  -2.978   4.916 -15.229
   74    H    GLY  10           H        GLY  10  -4.043   1.974 -13.522
   75   1HA   GLY  10          2HA       GLY  10  -4.033  -0.710 -14.347
   76   2HA   GLY  10          1HA       GLY  10  -5.356  -0.466 -13.218
   77    H    LYS  11           H        LYS  11  -3.882  -2.172 -12.163
   78    HA   LYS  11           HA       LYS  11  -2.679  -1.015  -9.899
   79   1HB   LYS  11          2HB       LYS  11  -3.692  -3.319 -10.057
   80   2HB   LYS  11          1HB       LYS  11  -2.240  -3.827 -10.911
   81   1HG   LYS  11          2HG       LYS  11  -0.887  -3.219  -8.959
   82   2HG   LYS  11          1HG       LYS  11  -2.357  -2.745  -8.103
   83   1HD   LYS  11          2HD       LYS  11  -2.166  -4.875  -7.323
   84   2HD   LYS  11          1HD       LYS  11  -3.090  -5.203  -8.791
   85   1HE   LYS  11          2HE       LYS  11  -0.788  -5.467  -9.916
   86   2HE   LYS  11          1HE       LYS  11  -0.167  -5.610  -8.273
   87   1HZ   LYS  11          2HZ       LYS  11  -2.132  -7.347  -8.132
   88   2HZ   LYS  11          1HZ       LYS  11  -1.837  -7.456  -9.795
   89   3HZ   LYS  11          3HZ       LYS  11  -0.596  -7.778  -8.691
   90    H    TYR  12           H        TYR  12  -0.402  -1.580  -9.184
   91    HA   TYR  12           HA       TYR  12   1.803  -1.028  -9.422
   92   1HB   TYR  12          2HB       TYR  12   1.300  -2.985 -11.653
   93   2HB   TYR  12          1HB       TYR  12   2.908  -2.330 -11.358
   94    HD1  TYR  12           HD1      TYR  12   1.146  -2.566  -8.312
   95    HD2  TYR  12           HD2      TYR  12   3.291  -4.915 -11.138
   96    HE1  TYR  12           HE1      TYR  12   1.528  -4.281  -6.590
   97    HE2  TYR  12           HE2      TYR  12   3.677  -6.635  -9.425
   98    HH   TYR  12           HH       TYR  12   2.001  -6.791  -6.562
   99    H    LYS  13           H        LYS  13   0.308   1.035 -10.307
  100    HA   LYS  13           HA       LYS  13   1.953   2.100 -12.466
  101   1HB   LYS  13          2HB       LYS  13  -0.952   1.592 -12.555
  102   2HB   LYS  13          1HB       LYS  13  -0.451   3.181 -13.105
  103   1HG   LYS  13          2HG       LYS  13   1.321   1.635 -14.425
  104   2HG   LYS  13          1HG       LYS  13  -0.060   0.540 -14.331
  105   1HD   LYS  13          2HD       LYS  13  -1.077   3.072 -15.039
  106   2HD   LYS  13          1HD       LYS  13   0.341   2.789 -16.052
  107   1HE   LYS  13          2HE       LYS  13  -0.805   0.389 -16.261
  108   2HE   LYS  13          1HE       LYS  13  -2.248   1.354 -15.958
  109   1HZ   LYS  13          3HZ       LYS  13  -0.832   2.765 -17.834
  110   2HZ   LYS  13          2HZ       LYS  13  -0.682   1.154 -18.325
  111   3HZ   LYS  13          1HZ       LYS  13  -2.216   1.832 -18.110
  112    H    LEU  14           H        LEU  14   0.873   2.382  -9.420
  113    HA   LEU  14           HA       LEU  14   0.623   5.310  -9.469
  114   1HB   LEU  14          2HB       LEU  14  -0.283   3.171  -7.602
  115   2HB   LEU  14          1HB       LEU  14   0.046   4.761  -6.949
  116    HG   LEU  14           HG       LEU  14  -1.769   4.502  -9.310
  117   1HD1  LEU  14          1HD1      LEU  14  -2.221   3.124  -6.910
  118   2HD1  LEU  14          3HD1      LEU  14  -3.251   4.555  -6.858
  119   3HD1  LEU  14          2HD1      LEU  14  -3.370   3.432  -8.211
  120   1HD2  LEU  14          3HD2      LEU  14  -1.620   6.387  -6.962
  121   2HD2  LEU  14          2HD2      LEU  14  -1.096   6.721  -8.612
  122   3HD2  LEU  14          1HD2      LEU  14  -2.807   6.472  -8.263
  123    H    THR  15           H        THR  15   2.010   6.618  -8.424
  124    HA   THR  15           HA       THR  15   4.404   5.363  -7.256
  125    HB   THR  15           HB       THR  15   5.658   7.299  -7.845
  126    HG1  THR  15           HG1      THR  15   4.758   9.209  -8.170
  127   1HG2  THR  15          1HG2      THR  15   3.823   6.327 -10.005
  128   2HG2  THR  15          3HG2      THR  15   5.017   7.579 -10.344
  129   3HG2  THR  15          2HG2      THR  15   5.540   5.998  -9.767
  130    H    TYR  16           H        TYR  16   5.246   6.211  -5.292
  131    HA   TYR  16           HA       TYR  16   3.645   6.607  -3.203
  132   1HB   TYR  16          2HB       TYR  16   6.013   6.513  -2.854
  133   2HB   TYR  16          1HB       TYR  16   6.259   8.027  -3.718
  134    HD1  TYR  16           HD1      TYR  16   4.441   6.686  -0.739
  135    HD2  TYR  16           HD2      TYR  16   6.502   9.972  -2.496
  136    HE1  TYR  16           HE1      TYR  16   4.268   7.924   1.380
  137    HE2  TYR  16           HE2      TYR  16   6.333  11.216  -0.381
  138    HH   TYR  16           HH       TYR  16   6.031  10.773   1.997
  139    H    ALA  17           H        ALA  17   4.630   9.190  -5.413
  140    HA   ALA  17           HA       ALA  17   3.235  11.246  -4.016
  141   1HB   ALA  17          2HB       ALA  17   4.168  11.240  -6.884
  142   2HB   ALA  17          1HB       ALA  17   3.767  12.649  -5.902
  143   3HB   ALA  17          3HB       ALA  17   5.172  11.663  -5.496
  144    H    GLU  18           H        GLU  18   2.467   9.223  -6.839
  145    HA   GLU  18           HA       GLU  18   0.008  10.517  -7.426
  146   1HB   GLU  18          2HB       GLU  18   1.059   7.771  -8.125
  147   2HB   GLU  18          1HB       GLU  18  -0.431   8.444  -8.764
  148   1HG   GLU  18          2HG       GLU  18   0.841  10.281  -9.771
  149   2HG   GLU  18          1HG       GLU  18   2.331   9.568  -9.156
  150    H    ALA  19           H        ALA  19   0.905   7.622  -5.625
  151    HA   ALA  19           HA       ALA  19  -1.616   6.667  -4.964
  152   1HB   ALA  19          2HB       ALA  19  -0.182   5.120  -4.224
  153   2HB   ALA  19          3HB       ALA  19  -0.075   6.090  -2.755
  154   3HB   ALA  19          1HB       ALA  19   1.118   6.298  -4.038
  155    H    LYS  20           H        LYS  20   0.363   9.157  -3.447
  156    HA   LYS  20           HA       LYS  20  -1.407   9.552  -1.224
  157   1HB   LYS  20          2HB       LYS  20   1.139  10.070  -1.428
  158   2HB   LYS  20          1HB       LYS  20   0.604  11.568  -2.175
  159   1HG   LYS  20          2HG       LYS  20  -0.312  12.376  -0.227
  160   2HG   LYS  20          1HG       LYS  20  -0.538  10.765   0.458
  161   1HD   LYS  20          2HD       LYS  20   2.007  10.616   0.521
  162   2HD   LYS  20          1HD       LYS  20   2.000  12.355   0.221
  163   1HE   LYS  20          2HE       LYS  20   1.909  12.546   2.449
  164   2HE   LYS  20          1HE       LYS  20   0.206  12.132   2.262
  165   1HZ   LYS  20          3HZ       LYS  20   1.437   9.717   2.319
  166   2HZ   LYS  20          2HZ       LYS  20   2.335  10.612   3.439
  167   3HZ   LYS  20          1HZ       LYS  20   0.662  10.454   3.630
  168    H    ALA  21           H        ALA  21  -0.890  11.061  -4.360
  169    HA   ALA  21           HA       ALA  21  -2.464  13.343  -3.998
  170   1HB   ALA  21          2HB       ALA  21  -2.719  13.262  -6.512
  171   2HB   ALA  21          3HB       ALA  21  -1.792  11.762  -6.465
  172   3HB   ALA  21          1HB       ALA  21  -1.064  13.265  -5.900
  173    H    VAL  22           H        VAL  22  -3.333  10.063  -4.941
  174    HA   VAL  22           HA       VAL  22  -6.074  10.712  -5.483
  175    HB   VAL  22           HB       VAL  22  -4.530   8.153  -5.299
  176   1HG1  VAL  22          1HG1      VAL  22  -7.530   8.394  -5.473
  177   2HG1  VAL  22          3HG1      VAL  22  -6.617   6.919  -5.795
  178   3HG1  VAL  22          2HG1      VAL  22  -6.601   7.632  -4.182
  179   1HG2  VAL  22          1HG2      VAL  22  -4.745   9.741  -7.353
  180   2HG2  VAL  22          3HG2      VAL  22  -4.878   7.996  -7.574
  181   3HG2  VAL  22          2HG2      VAL  22  -6.332   8.992  -7.527
  182    H    CYS  23           H        CYS  23  -4.451   8.877  -2.903
  183    HA   CYS  23           HA       CYS  23  -6.760   8.475  -1.350
  184   1HB   CYS  23          2HB       CYS  23  -3.819   8.410  -0.710
  185   2HB   CYS  23          1HB       CYS  23  -5.042   8.104   0.516
  186    H    GLU  24           H        GLU  24  -4.560  11.154  -1.623
  187    HA   GLU  24           HA       GLU  24  -5.776  12.468   0.703
  188   1HB   GLU  24          2HB       GLU  24  -3.279  12.431   0.462
  189   2HB   GLU  24          1HB       GLU  24  -3.453  13.417  -0.983
  190   1HG   GLU  24          2HG       GLU  24  -4.249  15.258   0.241
  191   2HG   GLU  24          1HG       GLU  24  -4.531  14.280   1.679
  192    H    PHE  25           H        PHE  25  -6.129  12.226  -2.595
  193    HA   PHE  25           HA       PHE  25  -6.632  14.762  -3.539
  194   1HB   PHE  25          2HB       PHE  25  -6.848  12.290  -4.580
  195   2HB   PHE  25          1HB       PHE  25  -8.552  12.654  -4.350
  196    HD1  PHE  25           HD1      PHE  25  -5.442  13.948  -5.893
  197    HD2  PHE  25           HD2      PHE  25  -9.696  13.981  -5.894
  198    HE1  PHE  25           HE1      PHE  25  -5.423  15.241  -7.985
  199    HE2  PHE  25           HE2      PHE  25  -9.688  15.275  -7.987
  200    HZ   PHE  25           HZ       PHE  25  -7.550  15.908  -9.035
  201    H    GLU  26           H        GLU  26  -8.786  12.627  -1.728
  202    HA   GLU  26           HA       GLU  26 -10.738  14.816  -1.528
  203   1HB   GLU  26          2HB       GLU  26 -11.196  11.931  -0.783
  204   2HB   GLU  26          1HB       GLU  26 -12.403  13.182  -1.048
  205   1HG   GLU  26          2HG       GLU  26 -11.777  13.266  -3.414
  206   2HG   GLU  26          1HG       GLU  26 -10.605  11.979  -3.137
  207    H    GLY  27           H        GLY  27  -8.814  15.493   0.000
  208   1HA   GLY  27          1HA       GLY  27  -9.779  15.718   2.561
  209   2HA   GLY  27          2HA       GLY  27  -8.083  15.899   2.141
  210    H    GLY  28           H        GLY  28  -7.791  13.152   1.223
  211   1HA   GLY  28          2HA       GLY  28  -8.011  10.936   2.196
  212   2HA   GLY  28          1HA       GLY  28  -8.108  11.704   3.776
  213    H    HIS  29           H        HIS  29  -6.340   9.676   3.436
  214    HA   HIS  29           HA       HIS  29  -3.728  10.770   2.807
  215   1HB   HIS  29          2HB       HIS  29  -3.421   9.593   5.376
  216   2HB   HIS  29          1HB       HIS  29  -3.118  11.261   4.902
  217    HD1  HIS  29           HD1      HIS  29  -5.203  12.922   5.159
  218    HD2  HIS  29           HD2      HIS  29  -5.572   9.232   7.038
  219    HE1  HIS  29           HE1      HIS  29  -7.089  13.189   6.801
  220    HE2  HIS  29           HE2      HIS  29  -7.286  10.948   7.937
  221    H    LEU  30           H        LEU  30  -2.320   9.206   2.165
  222    HA   LEU  30           HA       LEU  30  -3.346   6.585   1.748
  223   1HB   LEU  30          2HB       LEU  30  -1.748   6.478   0.215
  224   2HB   LEU  30          1HB       LEU  30  -1.301   8.114   0.655
  225    HG   LEU  30           HG       LEU  30   0.059   6.642   2.520
  226   1HD1  LEU  30          2HD1      LEU  30  -0.766   4.667   0.952
  227   2HD1  LEU  30          1HD1      LEU  30   0.664   5.148   0.038
  228   3HD1  LEU  30          3HD1      LEU  30   0.819   4.659   1.726
  229   1HD2  LEU  30          2HD2      LEU  30   0.673   8.062   0.033
  230   2HD2  LEU  30          1HD2      LEU  30   1.416   8.188   1.627
  231   3HD2  LEU  30          3HD2      LEU  30   1.899   6.894   0.529
  232    H    ALA  31           H        ALA  31  -3.245   4.865   2.999
  233    HA   ALA  31           HA       ALA  31  -2.517   4.907   5.648
  234   1HB   ALA  31          3HB       ALA  31  -3.290   2.877   3.725
  235   2HB   ALA  31          2HB       ALA  31  -2.200   2.254   4.964
  236   3HB   ALA  31          1HB       ALA  31  -3.708   3.040   5.430
  237    H    THR  32           H        THR  32  -0.833   3.684   6.781
  238    HA   THR  32           HA       THR  32   1.752   3.887   5.380
  239    HB   THR  32           HB       THR  32   2.815   4.310   7.481
  240    HG1  THR  32           HG1      THR  32   1.517   2.913   8.776
  241   1HG2  THR  32          3HG2      THR  32   0.512   5.934   6.667
  242   2HG2  THR  32          2HG2      THR  32   1.043   6.202   8.328
  243   3HG2  THR  32          1HG2      THR  32   2.178   6.410   6.995
  244    H    TYR  33           H        TYR  33   3.306   2.544   7.219
  245    HA   TYR  33           HA       TYR  33   2.778  -0.185   6.513
  246   1HB   TYR  33          2HB       TYR  33   5.069   0.435   6.585
  247   2HB   TYR  33          1HB       TYR  33   4.902   1.158   8.177
  248    HD1  TYR  33           HD1      TYR  33   4.416  -2.177   6.545
  249    HD2  TYR  33           HD2      TYR  33   5.761  -0.020   9.958
  250    HE1  TYR  33           HE1      TYR  33   5.149  -4.280   7.576
  251    HE2  TYR  33           HE2      TYR  33   6.503  -2.122  10.998
  252    HH   TYR  33           HH       TYR  33   7.009  -4.329  10.535
  253    H    LYS  34           H        LYS  34   3.488   1.198   9.689
  254    HA   LYS  34           HA       LYS  34   2.533  -0.791  11.284
  255   1HB   LYS  34          2HB       LYS  34   2.424   2.193  11.713
  256   2HB   LYS  34          1HB       LYS  34   2.013   1.034  12.966
  257   1HG   LYS  34          2HG       LYS  34   4.360   0.057  12.508
  258   2HG   LYS  34          1HG       LYS  34   4.670   1.612  11.731
  259   1HD   LYS  34          2HD       LYS  34   3.622   2.524  13.989
  260   2HD   LYS  34          1HD       LYS  34   4.202   0.972  14.595
  261   1HE   LYS  34          2HE       LYS  34   5.925   2.912  13.065
  262   2HE   LYS  34          1HE       LYS  34   5.811   2.891  14.825
  263   1HZ   LYS  34          2HZ       LYS  34   6.477   0.413  13.390
  264   2HZ   LYS  34          1HZ       LYS  34   7.679   1.577  13.638
  265   3HZ   LYS  34          3HZ       LYS  34   6.886   0.884  14.962
  266    H    GLN  35           H        GLN  35   0.657   1.818   9.786
  267    HA   GLN  35           HA       GLN  35  -1.804   1.184  11.009
  268   1HB   GLN  35          2HB       GLN  35  -1.179   2.570   8.397
  269   2HB   GLN  35          1HB       GLN  35  -2.784   2.480   9.101
  270   1HG   GLN  35          2HG       GLN  35  -2.010   3.699  11.060
  271   2HG   GLN  35          1HG       GLN  35  -0.387   3.773  10.376
  272   1HE2  GLN  35          1HE2      GLN  35  -1.635   6.066  11.100
  273   2HE2  GLN  35          2HE2      GLN  35  -2.077   6.976   9.700
  274    H    LEU  36           H        LEU  36  -0.483   0.349   7.810
  275    HA   LEU  36           HA       LEU  36  -2.609  -1.208   6.916
  276   1HB   LEU  36          2HB       LEU  36  -0.103  -0.534   5.965
  277   2HB   LEU  36          1HB       LEU  36   0.003  -2.271   6.162
  278    HG   LEU  36           HG       LEU  36  -0.726  -1.368   3.878
  279   1HD1  LEU  36          1HD1      LEU  36  -1.432  -3.677   5.338
  280   2HD1  LEU  36          3HD1      LEU  36  -2.858  -3.181   4.427
  281   3HD1  LEU  36          2HD1      LEU  36  -1.336  -3.478   3.588
  282   1HD2  LEU  36          2HD2      LEU  36  -2.659  -0.103   5.464
  283   2HD2  LEU  36          1HD2      LEU  36  -2.566  -0.142   3.703
  284   3HD2  LEU  36          3HD2      LEU  36  -3.512  -1.357   4.562
  285    H    GLU  37           H        GLU  37  -0.126  -1.862   9.235
  286    HA   GLU  37           HA       GLU  37  -0.304  -4.685   9.286
  287   1HB   GLU  37          2HB       GLU  37   1.547  -3.359  10.300
  288   2HB   GLU  37          1HB       GLU  37   0.432  -2.815  11.544
  289   1HG   GLU  37          2HG       GLU  37   1.408  -4.537  12.646
  290   2HG   GLU  37          1HG       GLU  37   0.081  -5.402  11.875
  291    H    ALA  38           H        ALA  38  -1.575  -2.302  11.583
  292    HA   ALA  38           HA       ALA  38  -3.228  -4.051  12.984
  293   1HB   ALA  38          1HB       ALA  38  -2.890  -2.088  14.122
  294   2HB   ALA  38          3HB       ALA  38  -3.109  -1.091  12.683
  295   3HB   ALA  38          2HB       ALA  38  -4.509  -1.811  13.478
  296    H    ALA  39           H        ALA  39  -3.526  -2.880   9.839
  297    HA   ALA  39           HA       ALA  39  -6.439  -3.172   9.768
  298   1HB   ALA  39          1HB       ALA  39  -4.527  -2.355   7.577
  299   2HB   ALA  39          2HB       ALA  39  -5.433  -1.245   8.608
  300   3HB   ALA  39          3HB       ALA  39  -6.288  -2.312   7.492
  301    H    ARG  40           H        ARG  40  -3.489  -4.697   8.811
  302    HA   ARG  40           HA       ARG  40  -4.629  -6.617   7.035
  303   1HB   ARG  40          2HB       ARG  40  -2.317  -6.083   6.778
  304   2HB   ARG  40          1HB       ARG  40  -1.995  -6.394   8.480
  305   1HG   ARG  40          2HG       ARG  40  -2.529  -8.790   8.080
  306   2HG   ARG  40          1HG       ARG  40  -2.670  -8.425   6.361
  307   1HD   ARG  40          2HD       ARG  40  -0.381  -7.827   6.208
  308   2HD   ARG  40          1HD       ARG  40  -0.197  -7.818   7.960
  309    HE   ARG  40           HE       ARG  40  -0.352 -10.175   6.236
  310   1HH1  ARG  40          2HH1      ARG  40   0.016  -8.795   9.412
  311   2HH1  ARG  40          1HH1      ARG  40   0.616 -10.258  10.119
  312   1HH2  ARG  40          1HH2      ARG  40   0.436 -12.107   7.158
  313   2HH2  ARG  40          2HH2      ARG  40   0.855 -12.140   8.838
  314    H    LYS  41           H        LYS  41  -3.928  -6.416  10.451
  315    HA   LYS  41           HA       LYS  41  -4.278  -9.162  11.037
  316   1HB   LYS  41          2HB       LYS  41  -4.653  -6.843  12.929
  317   2HB   LYS  41          1HB       LYS  41  -4.270  -8.507  13.351
  318   1HG   LYS  41          2HG       LYS  41  -2.183  -8.015  11.789
  319   2HG   LYS  41          1HG       LYS  41  -2.524  -6.363  12.301
  320   1HD   LYS  41          2HD       LYS  41  -2.706  -7.797  14.647
  321   2HD   LYS  41          1HD       LYS  41  -1.372  -8.582  13.797
  322   1HE   LYS  41          2HE       LYS  41  -0.144  -6.577  13.663
  323   2HE   LYS  41          1HE       LYS  41  -1.544  -5.597  14.097
  324   1HZ   LYS  41          3HZ       LYS  41  -1.440  -6.935  16.283
  325   2HZ   LYS  41          2HZ       LYS  41   0.155  -7.265  15.828
  326   3HZ   LYS  41          1HZ       LYS  41  -0.346  -5.665  16.046
  327    H    ILE  42           H        ILE  42  -6.486  -6.650  10.343
  328    HA   ILE  42           HA       ILE  42  -8.700  -7.883  11.762
  329    HB   ILE  42           HB       ILE  42 -10.012  -6.040  11.090
  330   1HG1  ILE  42          2HG1      ILE  42  -8.098  -4.700   9.333
  331   2HG1  ILE  42          1HG1      ILE  42  -8.648  -6.242   8.694
  332   1HG2  ILE  42          1HG2      ILE  42  -7.172  -5.231  11.652
  333   2HG2  ILE  42          3HG2      ILE  42  -8.489  -4.060  11.566
  334   3HG2  ILE  42          2HG2      ILE  42  -8.526  -5.341  12.779
  335   1HD1  ILE  42          3HD1      ILE  42 -11.008  -5.241   9.385
  336   2HD1  ILE  42          2HD1      ILE  42 -10.138  -3.729   9.128
  337   3HD1  ILE  42          1HD1      ILE  42 -10.255  -4.911   7.825
  338    H    GLY  43           H        GLY  43  -7.172  -8.127   8.740
  339   1HA   GLY  43          1HA       GLY  43  -9.572  -9.347   7.533
  340   2HA   GLY  43          2HA       GLY  43  -8.031 -10.196   7.542
  341    H    PHE  44           H        PHE  44  -6.930  -7.250   7.204
  342    HA   PHE  44           HA       PHE  44  -7.665  -6.686   4.472
  343   1HB   PHE  44          2HB       PHE  44  -7.002  -4.980   6.289
  344   2HB   PHE  44          1HB       PHE  44  -5.343  -5.445   5.929
  345    HD1  PHE  44           HD1      PHE  44  -6.950  -5.829   2.930
  346    HD2  PHE  44           HD2      PHE  44  -5.690  -2.753   5.588
  347    HE1  PHE  44           HE1      PHE  44  -6.916  -4.233   1.060
  348    HE2  PHE  44           HE2      PHE  44  -5.655  -1.151   3.720
  349    HZ   PHE  44           HZ       PHE  44  -6.268  -1.890   1.454
  350    H    HIS  45           H        HIS  45  -6.817  -7.642   2.764
  351    HA   HIS  45           HA       HIS  45  -4.010  -8.498   2.838
  352   1HB   HIS  45          2HB       HIS  45  -5.373 -10.486   3.289
  353   2HB   HIS  45          1HB       HIS  45  -6.321 -10.180   1.839
  354    HD1  HIS  45           HD1      HIS  45  -4.631 -12.794   2.413
  355    HD2  HIS  45           HD2      HIS  45  -3.479  -9.616  -0.004
  356    HE1  HIS  45           HE1      HIS  45  -2.942 -13.745   0.810
  357    HE2  HIS  45           HE2      HIS  45  -2.322 -11.824  -0.695
  358    H    VAL  46           H        VAL  46  -2.896  -7.882   1.087
  359    HA   VAL  46           HA       VAL  46  -4.306  -7.447  -1.434
  360    HB   VAL  46           HB       VAL  46  -2.357  -5.330  -0.667
  361   1HG1  VAL  46          1HG1      VAL  46  -4.066  -5.843  -2.810
  362   2HG1  VAL  46          3HG1      VAL  46  -4.804  -4.497  -1.940
  363   3HG1  VAL  46          2HG1      VAL  46  -3.140  -4.372  -2.513
  364   1HG2  VAL  46          2HG2      VAL  46  -5.198  -5.434   0.334
  365   2HG2  VAL  46          1HG2      VAL  46  -3.726  -5.353   1.302
  366   3HG2  VAL  46          3HG2      VAL  46  -4.206  -3.975   0.309
  367    H    CYS  47           H        CYS  47  -3.250  -8.921  -2.632
  368    HA   CYS  47           HA       CYS  47  -0.448  -9.444  -2.357
  369   1HB   CYS  47          2HB       CYS  47  -2.638 -10.754  -3.513
  370   2HB   CYS  47          1HB       CYS  47  -1.573 -10.366  -4.862
  371    H    ALA  48           H        ALA  48  -0.055  -7.018  -2.635
  372    HA   ALA  48           HA       ALA  48   1.256  -6.580  -5.091
  373   1HB   ALA  48          3HB       ALA  48  -1.056  -6.291  -5.904
  374   2HB   ALA  48          1HB       ALA  48  -0.097  -4.818  -6.048
  375   3HB   ALA  48          2HB       ALA  48  -1.277  -4.977  -4.748
  376    H    ALA  49           H        ALA  49   2.727  -4.958  -4.887
  377    HA   ALA  49           HA       ALA  49   3.373  -3.949  -2.384
  378   1HB   ALA  49          3HB       ALA  49   5.222  -3.437  -3.495
  379   2HB   ALA  49          2HB       ALA  49   4.404  -3.759  -5.024
  380   3HB   ALA  49          1HB       ALA  49   4.366  -2.140  -4.327
  381    H    GLY  50           H        GLY  50   2.169  -2.639  -1.168
  382   1HA   GLY  50          2HA       GLY  50   0.235  -1.195  -0.961
  383   2HA   GLY  50          1HA       GLY  50   0.663  -0.486  -2.509
  384    H    TRP  51           H        TRP  51   1.629   1.426  -2.445
  385    HA   TRP  51           HA       TRP  51   3.779   2.204  -0.948
  386   1HB   TRP  51          2HB       TRP  51   1.524   3.767  -2.161
  387   2HB   TRP  51          1HB       TRP  51   2.772   4.590  -1.230
  388    HD1  TRP  51           HD1      TRP  51   2.053   3.278  -4.631
  389    HE1  TRP  51           HE1      TRP  51   4.153   3.486  -6.119
  390    HE3  TRP  51           HE3      TRP  51   5.502   4.374  -1.023
  391    HZ2  TRP  51           HZ2      TRP  51   6.906   4.044  -5.796
  392    HZ3  TRP  51           HZ3      TRP  51   7.843   4.732  -1.689
  393    HH2  TRP  51           HH2      TRP  51   8.529   4.570  -4.027
  394    H    MET  52           H        MET  52   4.076   3.495   0.906
  395    HA   MET  52           HA       MET  52   1.987   4.230   2.663
  396   1HB   MET  52          2HB       MET  52   3.088   2.481   4.441
  397   2HB   MET  52          1HB       MET  52   1.583   2.209   3.575
  398   1HG   MET  52          2HG       MET  52   2.799   0.972   1.855
  399   2HG   MET  52          1HG       MET  52   4.303   1.236   2.736
  400   1HE   MET  52          2HE       MET  52   5.291  -0.310   3.571
  401   2HE   MET  52          1HE       MET  52   4.809  -1.051   5.097
  402   3HE   MET  52          3HE       MET  52   4.685  -1.966   3.594
  403    H    ALA  53           H        ALA  53   2.967   4.694   4.942
  404    HA   ALA  53           HA       ALA  53   4.384   6.029   6.122
  405   1HB   ALA  53          2HB       ALA  53   6.405   5.089   6.519
  406   2HB   ALA  53          3HB       ALA  53   6.766   4.870   4.806
  407   3HB   ALA  53          1HB       ALA  53   5.671   3.756   5.626
  408    H    LYS  54           H        LYS  54   6.841   7.124   5.606
  409    HA   LYS  54           HA       LYS  54   6.164   9.368   4.037
  410   1HB   LYS  54          2HB       LYS  54   8.242   8.616   5.824
  411   2HB   LYS  54          1HB       LYS  54   8.995   9.200   4.348
  412   1HG   LYS  54          2HG       LYS  54   6.812  10.898   5.241
  413   2HG   LYS  54          1HG       LYS  54   8.099  10.745   6.436
  414   1HD   LYS  54          2HD       LYS  54   9.657  11.755   5.094
  415   2HD   LYS  54          1HD       LYS  54   8.854  11.256   3.604
  416   1HE   LYS  54          2HE       LYS  54   6.974  12.881   4.686
  417   2HE   LYS  54          1HE       LYS  54   8.454  13.650   5.261
  418   1HZ   LYS  54          2HZ       LYS  54   9.024  13.183   2.677
  419   2HZ   LYS  54          1HZ       LYS  54   7.368  13.514   2.593
  420   3HZ   LYS  54          3HZ       LYS  54   8.425  14.646   3.277
  421    H    GLY  55           H        GLY  55   6.886   6.366   2.958
  422   1HA   GLY  55          1HA       GLY  55   8.592   7.168   0.736
  423   2HA   GLY  55          2HA       GLY  55   6.937   6.731   0.323
  424    H    ARG  56           H        ARG  56   7.178   4.815   2.759
  425    HA   ARG  56           HA       ARG  56   8.936   2.783   1.629
  426   1HB   ARG  56          2HB       ARG  56   7.851   3.382   4.255
  427   2HB   ARG  56          1HB       ARG  56   7.622   1.691   3.835
  428   1HG   ARG  56          2HG       ARG  56  10.017   1.479   3.386
  429   2HG   ARG  56          1HG       ARG  56  10.243   3.175   3.823
  430   1HD   ARG  56          2HD       ARG  56   8.999   2.382   6.024
  431   2HD   ARG  56          1HD       ARG  56   9.667   0.823   5.545
  432    HE   ARG  56           HE       ARG  56  11.479   3.108   5.700
  433   1HH1  ARG  56          2HH1      ARG  56  10.318   0.114   7.047
  434   2HH1  ARG  56          1HH1      ARG  56  11.691  -0.104   8.079
  435   1HH2  ARG  56          2HH2      ARG  56  13.291   2.833   7.053
  436   2HH2  ARG  56          1HH2      ARG  56  13.382   1.442   8.083
  437    H    VAL  57           H        VAL  57   8.234   1.192   0.366
  438    HA   VAL  57           HA       VAL  57   5.338   0.634   0.316
  439    HB   VAL  57           HB       VAL  57   5.514   1.259  -1.837
  440   1HG1  VAL  57          2HG1      VAL  57   8.457   0.817  -1.496
  441   2HG1  VAL  57          1HG1      VAL  57   7.759   1.133  -3.084
  442   3HG1  VAL  57          3HG1      VAL  57   7.585   2.321  -1.792
  443   1HG2  VAL  57          3HG2      VAL  57   5.456  -1.345  -1.747
  444   2HG2  VAL  57          2HG2      VAL  57   5.695  -0.523  -3.289
  445   3HG2  VAL  57          1HG2      VAL  57   7.074  -1.216  -2.436
  446    H    GLY  58           H        GLY  58   4.719  -1.350   0.869
  447   1HA   GLY  58          2HA       GLY  58   5.719  -3.307   2.136
  448   2HA   GLY  58          1HA       GLY  58   6.697  -3.536   0.694
  449    H    TYR  59           H        TYR  59   5.216  -5.628   1.550
  450    HA   TYR  59           HA       TYR  59   2.761  -5.635  -0.048
  451   1HB   TYR  59          2HB       TYR  59   4.260  -8.122  -0.354
  452   2HB   TYR  59          1HB       TYR  59   3.459  -7.134  -1.572
  453    HD1  TYR  59           HD1      TYR  59   4.705  -4.976  -2.305
  454    HD2  TYR  59           HD2      TYR  59   6.581  -8.225  -0.300
  455    HE1  TYR  59           HE1      TYR  59   6.891  -4.219  -3.138
  456    HE2  TYR  59           HE2      TYR  59   8.773  -7.478  -1.128
  457    HH   TYR  59           HH       TYR  59   9.064  -4.705  -3.316
  458    HA   PRO  60           HA       PRO  60   1.970  -7.767   3.911
  459   1HB   PRO  60          2HB       PRO  60  -0.516  -6.792   4.261
  460   2HB   PRO  60          1HB       PRO  60   0.927  -5.859   4.667
  461   1HG   PRO  60          2HG       PRO  60  -0.860  -5.653   2.289
  462   2HG   PRO  60          1HG       PRO  60  -0.059  -4.368   3.206
  463   1HD   PRO  60          2HD       PRO  60   0.839  -5.377   0.798
  464   2HD   PRO  60          1HD       PRO  60   1.858  -4.538   1.983
  465    H    ILE  61           H        ILE  61   1.378  -9.840   3.836
  466    HA   ILE  61           HA       ILE  61  -1.001 -10.590   2.286
  467    HB   ILE  61           HB       ILE  61   1.564 -12.182   2.243
  468   1HG1  ILE  61          2HG1      ILE  61   1.703 -10.007   1.005
  469   2HG1  ILE  61          1HG1      ILE  61   1.896 -11.429  -0.016
  470   1HG2  ILE  61          2HG2      ILE  61  -0.687 -13.352   2.017
  471   2HG2  ILE  61          1HG2      ILE  61  -0.835 -12.517   0.470
  472   3HG2  ILE  61          3HG2      ILE  61   0.499 -13.639   0.743
  473   1HD1  ILE  61          3HD1      ILE  61  -0.782 -11.001  -0.182
  474   2HD1  ILE  61          2HD1      ILE  61  -0.160  -9.356  -0.045
  475   3HD1  ILE  61          1HD1      ILE  61   0.416 -10.411  -1.336
  476    H    VAL  62           H        VAL  62  -2.306 -11.090   3.972
  477    HA   VAL  62           HA       VAL  62  -1.387 -12.449   6.314
  478    HB   VAL  62           HB       VAL  62  -4.208 -12.734   6.068
  479   1HG1  VAL  62          1HG1      VAL  62  -2.235 -11.584   7.839
  480   2HG1  VAL  62          3HG1      VAL  62  -3.688 -10.589   7.758
  481   3HG1  VAL  62          2HG1      VAL  62  -3.809 -12.289   8.211
  482   1HG2  VAL  62          3HG2      VAL  62  -4.012 -11.036   4.274
  483   2HG2  VAL  62          2HG2      VAL  62  -4.940 -10.476   5.665
  484   3HG2  VAL  62          1HG2      VAL  62  -3.276  -9.936   5.439
  485    H    LYS  63           H        LYS  63  -2.386 -13.448   3.211
  486    HA   LYS  63           HA       LYS  63  -2.620 -16.227   4.158
  487   1HB   LYS  63          2HB       LYS  63  -4.288 -14.665   2.292
  488   2HB   LYS  63          1HB       LYS  63  -3.876 -16.285   1.752
  489   1HG   LYS  63          2HG       LYS  63  -4.647 -16.685   4.359
  490   2HG   LYS  63          1HG       LYS  63  -5.743 -15.419   3.801
  491   1HD   LYS  63          2HD       LYS  63  -5.488 -17.393   1.756
  492   2HD   LYS  63          1HD       LYS  63  -5.864 -18.196   3.281
  493   1HE   LYS  63          2HE       LYS  63  -7.924 -17.261   3.426
  494   2HE   LYS  63          1HE       LYS  63  -7.419 -15.764   2.646
  495   1HZ   LYS  63          3HZ       LYS  63  -7.217 -17.460   0.614
  496   2HZ   LYS  63          2HZ       LYS  63  -8.474 -18.201   1.470
  497   3HZ   LYS  63          1HZ       LYS  63  -8.630 -16.595   0.961
  498    HA   PRO  64           HA       PRO  64   1.284 -16.088   1.732
  499   1HB   PRO  64          2HB       PRO  64   1.313 -18.824   2.901
  500   2HB   PRO  64          1HB       PRO  64   2.599 -17.618   2.829
  501   1HG   PRO  64          2HG       PRO  64   1.286 -18.102   5.101
  502   2HG   PRO  64          1HG       PRO  64   1.804 -16.465   4.667
  503   1HD   PRO  64          2HD       PRO  64  -0.916 -17.677   4.594
  504   2HD   PRO  64          1HD       PRO  64  -0.431 -16.001   4.929
  505    H    GLY  65           H        GLY  65   1.355 -16.592  -0.363
  506   1HA   GLY  65          2HA       GLY  65  -0.020 -17.416  -2.232
  507   2HA   GLY  65          1HA       GLY  65  -0.261 -18.883  -1.297
  508    HA   PRO  66           HA       PRO  66   3.088 -20.662  -3.550
  509   1HB   PRO  66          2HB       PRO  66   2.564 -20.456  -6.213
  510   2HB   PRO  66          1HB       PRO  66   1.704 -21.565  -5.141
  511   1HG   PRO  66          2HG       PRO  66   0.871 -18.871  -6.148
  512   2HG   PRO  66          1HG       PRO  66  -0.089 -20.354  -5.992
  513   1HD   PRO  66          2HD       PRO  66  -0.227 -18.341  -4.191
  514   2HD   PRO  66          1HD       PRO  66  -0.433 -20.044  -3.731
  515    H    ASN  67           H        ASN  67   2.500 -18.314  -6.122
  516    HA   ASN  67           HA       ASN  67   5.257 -17.366  -5.800
  517   1HB   ASN  67          2HB       ASN  67   4.156 -16.284  -8.155
  518   2HB   ASN  67          1HB       ASN  67   5.323 -17.598  -8.023
  519   1HD2  ASN  67          2HD2      ASN  67   1.923 -16.809  -8.264
  520   2HD2  ASN  67          1HD2      ASN  67   1.413 -18.350  -8.854
  521    H    CYS  68           H        CYS  68   1.984 -16.386  -5.457
  522    HA   CYS  68           HA       CYS  68   2.196 -13.621  -5.829
  523   1HB   CYS  68          2HB       CYS  68   0.143 -15.254  -5.277
  524   2HB   CYS  68          1HB       CYS  68   0.421 -14.610  -3.662
  525    H    GLY  69           H        GLY  69   1.651 -14.922  -2.595
  526   1HA   GLY  69          1HA       GLY  69   2.343 -14.034  -0.564
  527   2HA   GLY  69          2HA       GLY  69   3.228 -12.795  -1.443
  528    H    PHE  70           H        PHE  70   3.922 -15.867  -2.622
  529    HA   PHE  70           HA       PHE  70   5.749 -17.217  -2.517
  530   1HB   PHE  70          2HB       PHE  70   6.709 -14.629  -2.470
  531   2HB   PHE  70          1HB       PHE  70   7.506 -15.368  -1.086
  532    HD1  PHE  70           HD1      PHE  70   6.701 -16.278  -4.618
  533    HD2  PHE  70           HD2      PHE  70   9.572 -16.256  -1.476
  534    HE1  PHE  70           HE1      PHE  70   8.351 -17.312  -6.123
  535    HE2  PHE  70           HE2      PHE  70  11.227 -17.288  -2.975
  536    HZ   PHE  70           HZ       PHE  70  10.617 -17.818  -5.302
  537    H    GLY  71           H        GLY  71   3.863 -17.202  -0.310
  538   1HA   GLY  71          1HA       GLY  71   5.259 -18.879   1.487
  539   2HA   GLY  71          2HA       GLY  71   3.634 -18.247   1.725
  540    H    LYS  72           H        LYS  72   4.745 -15.455   1.418
  541    HA   LYS  72           HA       LYS  72   6.385 -15.175   3.805
  542   1HB   LYS  72          2HB       LYS  72   5.466 -13.288   1.654
  543   2HB   LYS  72          1HB       LYS  72   6.159 -12.677   3.151
  544   1HG   LYS  72          2HG       LYS  72   8.251 -13.494   2.679
  545   2HG   LYS  72          1HG       LYS  72   7.635 -14.761   1.615
  546   1HD   LYS  72          2HD       LYS  72   7.224 -13.223  -0.135
  547   2HD   LYS  72          1HD       LYS  72   7.448 -11.836   0.933
  548   1HE   LYS  72          2HE       LYS  72   9.569 -13.786   0.044
  549   2HE   LYS  72          1HE       LYS  72   9.393 -12.112  -0.482
  550   1HZ   LYS  72          2HZ       LYS  72   9.491 -12.005   2.262
  551   2HZ   LYS  72          1HZ       LYS  72  10.672 -13.140   1.840
  552   3HZ   LYS  72          3HZ       LYS  72  10.728 -11.578   1.190
  553    H    THR  73           H        THR  73   5.796 -13.876   5.595
  554    HA   THR  73           HA       THR  73   2.896 -13.467   5.908
  555    HB   THR  73           HB       THR  73   3.747 -13.821   8.472
  556    HG1  THR  73           HG1      THR  73   4.922 -16.048   7.334
  557   1HG2  THR  73          2HG2      THR  73   1.755 -14.808   7.421
  558   2HG2  THR  73          1HG2      THR  73   2.781 -15.985   6.601
  559   3HG2  THR  73          3HG2      THR  73   2.655 -15.998   8.361
  560    H    GLY  74           H        GLY  74   2.274 -11.503   6.575
  561   1HA   GLY  74          2HA       GLY  74   4.177  -9.786   7.989
  562   2HA   GLY  74          1HA       GLY  74   2.446  -9.510   7.836
  563    H    ILE  75           H        ILE  75   3.866  -7.351   7.410
  564    HA   ILE  75           HA       ILE  75   3.437  -6.801   4.616
  565    HB   ILE  75           HB       ILE  75   4.712  -4.894   6.546
  566   1HG1  ILE  75          2HG1      ILE  75   2.226  -6.177   6.961
  567   2HG1  ILE  75          1HG1      ILE  75   2.903  -4.821   7.853
  568   1HG2  ILE  75          3HG2      ILE  75   4.292  -4.567   3.970
  569   2HG2  ILE  75          2HG2      ILE  75   2.665  -4.160   4.519
  570   3HG2  ILE  75          1HG2      ILE  75   4.051  -3.245   5.114
  571   1HD1  ILE  75          1HD1      ILE  75   1.882  -3.296   6.177
  572   2HD1  ILE  75          3HD1      ILE  75   1.086  -4.699   5.465
  573   3HD1  ILE  75          2HD1      ILE  75   0.721  -4.225   7.125
  574    H    ILE  76           H        ILE  76   5.014  -8.016   3.534
  575    HA   ILE  76           HA       ILE  76   7.758  -8.006   4.147
  576    HB   ILE  76           HB       ILE  76   6.634  -8.343   1.371
  577   1HG1  ILE  76          2HG1      ILE  76   5.294  -9.746   2.805
  578   2HG1  ILE  76          1HG1      ILE  76   6.445 -10.771   1.952
  579   1HG2  ILE  76          2HG2      ILE  76   9.207  -8.802   2.666
  580   2HG2  ILE  76          1HG2      ILE  76   8.619 -10.190   1.753
  581   3HG2  ILE  76          3HG2      ILE  76   8.811  -8.629   0.957
  582   1HD1  ILE  76          1HD1      ILE  76   6.776  -9.790   4.776
  583   2HD1  ILE  76          3HD1      ILE  76   6.177 -11.382   4.313
  584   3HD1  ILE  76          2HD1      ILE  76   7.831 -10.914   3.917
  585    H    ASP  77           H        ASP  77   8.274  -5.813   4.586
  586    HA   ASP  77           HA       ASP  77   8.516  -4.130   2.180
  587   1HB   ASP  77          2HB       ASP  77   7.084  -2.946   3.613
  588   2HB   ASP  77          1HB       ASP  77   7.980  -3.418   5.052
  589    H    TYR  78           H        TYR  78  10.470  -3.283   1.667
  590    HA   TYR  78           HA       TYR  78  12.732  -4.068   3.381
  591   1HB   TYR  78          2HB       TYR  78  12.792  -3.533   0.405
  592   2HB   TYR  78          1HB       TYR  78  14.098  -4.185   1.390
  593    HD1  TYR  78           HD1      TYR  78  10.521  -4.973   0.610
  594    HD2  TYR  78           HD2      TYR  78  14.454  -6.455   1.267
  595    HE1  TYR  78           HE1      TYR  78   9.733  -7.254   0.139
  596    HE2  TYR  78           HE2      TYR  78  13.678  -8.740   0.799
  597    HH   TYR  78           HH       TYR  78  11.906  -9.897  -0.289
  598    H    GLY  79           H        GLY  79  11.093  -1.615   3.546
  599   1HA   GLY  79          2HA       GLY  79  13.211   0.256   3.879
  600   2HA   GLY  79          1HA       GLY  79  11.489   0.600   4.032
  601    H    ILE  80           H        ILE  80  12.290   2.652   2.988
  602    HA   ILE  80           HA       ILE  80  11.412   2.805   0.353
  603    HB   ILE  80           HB       ILE  80  13.358   4.749   1.563
  604   1HG1  ILE  80          2HG1      ILE  80  10.404   4.435   2.105
  605   2HG1  ILE  80          1HG1      ILE  80  11.717   4.314   3.265
  606   1HG2  ILE  80          2HG2      ILE  80  11.932   4.682  -0.849
  607   2HG2  ILE  80          1HG2      ILE  80  11.118   5.874   0.164
  608   3HG2  ILE  80          3HG2      ILE  80  12.842   6.034  -0.176
  609   1HD1  ILE  80          1HD1      ILE  80  11.901   6.851   2.036
  610   2HD1  ILE  80          3HD1      ILE  80  10.224   6.596   2.514
  611   3HD1  ILE  80          2HD1      ILE  80  11.511   6.463   3.712
  612    H    ARG  81           H        ARG  81  12.464   3.067  -1.602
  613    HA   ARG  81           HA       ARG  81  15.246   2.092  -1.657
  614   1HB   ARG  81          2HB       ARG  81  13.304   1.838  -3.942
  615   2HB   ARG  81          1HB       ARG  81  14.811   0.968  -3.688
  616   1HG   ARG  81          2HG       ARG  81  12.819   0.581  -1.576
  617   2HG   ARG  81          1HG       ARG  81  12.339  -0.017  -3.165
  618   1HD   ARG  81          2HD       ARG  81  14.969  -0.674  -1.854
  619   2HD   ARG  81          1HD       ARG  81  13.530  -1.684  -1.720
  620    HE   ARG  81           HE       ARG  81  14.916  -1.101  -4.257
  621   1HH1  ARG  81          1HH1      ARG  81  13.038  -3.192  -2.199
  622   2HH1  ARG  81          2HH1      ARG  81  13.017  -4.503  -3.331
  623   1HH2  ARG  81          1HH2      ARG  81  14.893  -2.820  -5.755
  624   2HH2  ARG  81          2HH2      ARG  81  14.072  -4.291  -5.353
  625    H    LEU  82           H        LEU  82  14.118   4.883  -1.519
  626    HA   LEU  82           HA       LEU  82  14.368   6.930  -2.513
  627   1HB   LEU  82          2HB       LEU  82  16.877   5.551  -2.405
  628   2HB   LEU  82          1HB       LEU  82  16.839   6.606  -3.798
  629    HG   LEU  82           HG       LEU  82  17.705   7.438  -1.439
  630   1HD1  LEU  82          2HD1      LEU  82  16.030   9.038  -3.366
  631   2HD1  LEU  82          1HD1      LEU  82  17.069   9.737  -2.124
  632   3HD1  LEU  82          3HD1      LEU  82  17.774   8.781  -3.426
  633   1HD2  LEU  82          1HD2      LEU  82  14.726   7.876  -1.328
  634   2HD2  LEU  82          3HD2      LEU  82  15.730   7.005  -0.167
  635   3HD2  LEU  82          2HD2      LEU  82  15.891   8.753  -0.336
  636    H    ASN  83           H        ASN  83  12.688   5.641  -4.076
  637    HA   ASN  83           HA       ASN  83  13.190   6.748  -6.654
  638   1HB   ASN  83          2HB       ASN  83  13.127   4.681  -7.954
  639   2HB   ASN  83          1HB       ASN  83  14.505   4.670  -6.857
  640   1HD2  ASN  83          2HD2      ASN  83  12.993   2.482  -8.136
  641   2HD2  ASN  83          1HD2      ASN  83  12.492   1.457  -6.839
  642    H    ARG  84           H        ARG  84  11.215   7.571  -5.300
  643    HA   ARG  84           HA       ARG  84   8.859   6.093  -5.120
  644   1HB   ARG  84          2HB       ARG  84   8.859   9.037  -5.718
  645   2HB   ARG  84          1HB       ARG  84   7.768   8.122  -4.690
  646   1HG   ARG  84          2HG       ARG  84   8.967   8.760  -2.949
  647   2HG   ARG  84          1HG       ARG  84  10.300   7.781  -3.566
  648   1HD   ARG  84          2HD       ARG  84  11.389   9.580  -4.469
  649   2HD   ARG  84          1HD       ARG  84   9.902  10.496  -4.711
  650    HE   ARG  84           HE       ARG  84  11.529  10.405  -2.313
  651   1HH1  ARG  84          2HH1      ARG  84   8.489  11.298  -3.760
  652   2HH1  ARG  84          1HH1      ARG  84   8.091  12.445  -2.525
  653   1HH2  ARG  84          1HH2      ARG  84  11.014  11.911  -0.682
  654   2HH2  ARG  84          2HH2      ARG  84   9.526  12.794  -0.775
  655    H    SER  85           H        SER  85  10.516   6.827  -7.870
  656    HA   SER  85           HA       SER  85   8.271   7.373  -9.600
  657   1HB   SER  85          2HB       SER  85  10.911   7.933  -9.817
  658   2HB   SER  85          1HB       SER  85  10.825   6.465 -10.791
  659    HG   SER  85           HG       SER  85   8.761   8.038 -11.412
  660    H    GLU  86           H        GLU  86   8.629   4.803  -7.958
  661    HA   GLU  86           HA       GLU  86   8.846   2.724  -9.928
  662   1HB   GLU  86          2HB       GLU  86   8.266   2.848  -7.000
  663   2HB   GLU  86          1HB       GLU  86   7.842   1.388  -7.882
  664   1HG   GLU  86          2HG       GLU  86  10.533   2.314  -8.465
  665   2HG   GLU  86          1HG       GLU  86  10.280   1.959  -6.756
  666    H    ARG  87           H        ARG  87   6.869   0.962  -9.445
  667    HA   ARG  87           HA       ARG  87   4.341   2.383  -9.834
  668   1HB   ARG  87          2HB       ARG  87   3.836   0.691 -11.687
  669   2HB   ARG  87          1HB       ARG  87   4.886   2.045 -12.075
  670   1HG   ARG  87          2HG       ARG  87   6.373   0.597 -12.833
  671   2HG   ARG  87          1HG       ARG  87   6.584   0.016 -11.180
  672   1HD   ARG  87          2HD       ARG  87   5.888  -1.960 -11.950
  673   2HD   ARG  87          1HD       ARG  87   4.277  -1.241 -11.978
  674    HE   ARG  87           HE       ARG  87   5.223  -0.530 -14.374
  675   1HH1  ARG  87          1HH1      ARG  87   5.242  -3.587 -12.709
  676   2HH1  ARG  87          2HH1      ARG  87   5.186  -4.528 -14.162
  677   1HH2  ARG  87          1HH2      ARG  87   5.147  -1.757 -16.296
  678   2HH2  ARG  87          2HH2      ARG  87   5.133  -3.486 -16.202
  679    H    TRP  88           H        TRP  88   3.040   1.656  -8.339
  680    HA   TRP  88           HA       TRP  88   2.552  -1.185  -8.040
  681   1HB   TRP  88          2HB       TRP  88   3.146   0.365  -5.530
  682   2HB   TRP  88          1HB       TRP  88   3.046  -1.377  -5.748
  683    HD1  TRP  88           HD1      TRP  88   5.487   1.436  -5.665
  684    HE1  TRP  88           HE1      TRP  88   7.850   0.565  -6.200
  685    HE3  TRP  88           HE3      TRP  88   4.271  -3.239  -7.336
  686    HZ2  TRP  88           HZ2      TRP  88   9.040  -1.793  -7.198
  687    HZ3  TRP  88           HZ3      TRP  88   6.080  -4.741  -8.061
  688    HH2  TRP  88           HH2      TRP  88   8.416  -4.030  -7.993
  689    H    ASP  89           H        ASP  89   1.132  -0.860  -5.550
  690    HA   ASP  89           HA       ASP  89  -1.214   0.551  -6.578
  691   1HB   ASP  89          2HB       ASP  89  -1.752  -0.804  -4.116
  692   2HB   ASP  89          1HB       ASP  89  -2.370  -1.161  -5.726
  693    H    ALA  90           H        ALA  90  -2.594   1.155  -4.336
  694    HA   ALA  90           HA       ALA  90  -0.846   2.772  -2.638
  695   1HB   ALA  90          3HB       ALA  90  -1.517   4.202  -4.535
  696   2HB   ALA  90          1HB       ALA  90  -2.130   4.788  -2.989
  697   3HB   ALA  90          2HB       ALA  90  -3.207   3.945  -4.103
  698    H    TYR  91           H        TYR  91  -1.576   2.982  -0.563
  699    HA   TYR  91           HA       TYR  91  -4.093   1.622   0.073
  700   1HB   TYR  91          2HB       TYR  91  -1.581   2.185   1.621
  701   2HB   TYR  91          1HB       TYR  91  -3.080   1.815   2.461
  702    HD1  TYR  91           HD1      TYR  91  -4.325  -0.369   1.445
  703    HD2  TYR  91           HD2      TYR  91  -0.149   0.433   1.244
  704    HE1  TYR  91           HE1      TYR  91  -3.883  -2.767   1.157
  705    HE2  TYR  91           HE2      TYR  91   0.302  -1.966   0.956
  706    HH   TYR  91           HH       TYR  91  -1.512  -4.068  -0.059
  707    H    CYS  92           H        CYS  92  -5.812   2.841   0.520
  708    HA   CYS  92           HA       CYS  92  -5.411   5.663   1.148
  709   1HB   CYS  92          2HB       CYS  92  -7.660   4.050   0.035
  710   2HB   CYS  92          1HB       CYS  92  -8.038   5.555   0.865
  711    H    TYR  93           H        TYR  93  -6.344   6.687   2.910
  712    HA   TYR  93           HA       TYR  93  -7.537   4.992   4.978
  713   1HB   TYR  93          2HB       TYR  93  -5.104   5.227   5.456
  714   2HB   TYR  93          1HB       TYR  93  -5.316   6.974   5.517
  715    HD1  TYR  93           HD1      TYR  93  -6.890   7.930   7.268
  716    HD2  TYR  93           HD2      TYR  93  -5.511   3.904   7.361
  717    HE1  TYR  93           HE1      TYR  93  -7.490   7.790   9.647
  718    HE2  TYR  93           HE2      TYR  93  -6.107   3.752   9.743
  719    HH   TYR  93           HH       TYR  93  -7.996   5.200  11.266
  720    H    ASN  94           H        ASN  94  -9.196   5.913   6.021
  721    HA   ASN  94           HA       ASN  94  -9.487   8.783   6.162
  722   1HB   ASN  94          2HB       ASN  94 -11.020   7.117   4.261
  723   2HB   ASN  94          1HB       ASN  94 -11.968   8.258   5.209
  724   1HD2  ASN  94          2HD2      ASN  94 -11.903   8.559   2.548
  725   2HD2  ASN  94          1HD2      ASN  94 -10.960   9.939   2.109
  726    HA   PRO  95           HA       PRO  95 -11.172   7.740  10.109
  727   1HB   PRO  95          2HB       PRO  95 -12.986  10.042   9.545
  728   2HB   PRO  95          1HB       PRO  95 -11.990   9.717  10.970
  729   1HG   PRO  95          2HG       PRO  95 -11.246  11.537   9.168
  730   2HG   PRO  95          1HG       PRO  95 -10.054  10.488   9.958
  731   1HD   PRO  95          2HD       PRO  95 -11.136  10.379   7.187
  732   2HD   PRO  95          1HD       PRO  95  -9.525   9.944   7.790
  733    H    HIS  96           H        HIS  96 -13.257   8.434   7.363
  734    HA   HIS  96           HA       HIS  96 -15.233   6.528   8.433
  735   1HB   HIS  96          2HB       HIS  96 -15.558   9.126   7.004
  736   2HB   HIS  96          1HB       HIS  96 -16.733   7.856   6.679
  737    HD1  HIS  96           HD1      HIS  96 -18.752   8.357   8.006
  738    HD2  HIS  96           HD2      HIS  96 -15.273   9.093  10.156
  739    HE1  HIS  96           HE1      HIS  96 -19.513   9.044  10.303
  740    HE2  HIS  96           HE2      HIS  96 -17.394   9.566  11.560
  741    H    ALA  97           H        ALA  97 -13.423   7.633   5.644
  742    HA   ALA  97           HA       ALA  97 -13.371   6.827   3.464
  743   1HB   ALA  97          1HB       ALA  97 -11.536   5.657   4.055
  744   2HB   ALA  97          2HB       ALA  97 -12.589   4.270   3.774
  745   3HB   ALA  97          3HB       ALA  97 -12.343   4.872   5.413
  746    H    LYS  98           H        LYS  98 -15.808   7.022   3.324
  747    HA   LYS  98           HA       LYS  98 -17.073   4.377   3.081
  748   1HB   LYS  98          2HB       LYS  98 -18.115   6.144   4.582
  749   2HB   LYS  98          1HB       LYS  98 -18.484   7.044   3.116
  750   1HG   LYS  98          2HG       LYS  98 -19.538   4.683   2.441
  751   2HG   LYS  98          1HG       LYS  98 -19.709   4.584   4.195
  752   1HD   LYS  98          2HD       LYS  98 -20.497   7.189   3.317
  753   2HD   LYS  98          1HD       LYS  98 -21.346   5.972   2.363
  754   1HE   LYS  98          2HE       LYS  98 -22.723   6.359   4.225
  755   2HE   LYS  98          1HE       LYS  98 -21.894   4.842   4.573
  756   1HZ   LYS  98          2HZ       LYS  98 -20.311   6.086   5.938
  757   2HZ   LYS  98          1HZ       LYS  98 -21.165   7.516   5.640
  758   3HZ   LYS  98          3HZ       LYS  98 -21.895   6.258   6.506

  No H/Q in entry =         758
  Start of MODEL    5
    1    H1   GLY   1          2H        GLY   1 -12.537   2.795   6.378
    2    H2   GLY   1          1H        GLY   1 -13.073   2.640   7.974
    3    H3   GLY   1          3H        GLY   1 -12.750   4.173   7.335
    4   1HA   GLY   1          2HA       GLY   1 -10.927   2.172   8.391
    5   2HA   GLY   1          1HA       GLY   1 -10.810   3.925   8.428
    6    H    VAL   2           H        VAL   2  -8.901   1.724   7.638
    7    HA   VAL   2           HA       VAL   2  -7.917   3.054   5.249
    8    HB   VAL   2           HB       VAL   2  -6.193   2.728   6.783
    9   1HG1  VAL   2          1HG1      VAL   2  -7.739   0.771   7.859
   10   2HG1  VAL   2          3HG1      VAL   2  -6.413  -0.167   7.173
   11   3HG1  VAL   2          2HG1      VAL   2  -6.076   1.116   8.336
   12   1HG2  VAL   2          1HG2      VAL   2  -5.938   1.682   4.351
   13   2HG2  VAL   2          3HG2      VAL   2  -4.637   1.638   5.541
   14   3HG2  VAL   2          2HG2      VAL   2  -5.659   0.221   5.298
   15    H    TYR   3           H        TYR   3  -7.734   2.159   3.254
   16    HA   TYR   3           HA       TYR   3  -8.366  -0.666   2.886
   17   1HB   TYR   3          2HB       TYR   3  -9.948  -0.075   1.019
   18   2HB   TYR   3          1HB       TYR   3 -10.535   0.313   2.631
   19    HD1  TYR   3           HD1      TYR   3 -10.436   2.708   3.417
   20    HD2  TYR   3           HD2      TYR   3  -9.714   1.600  -0.627
   21    HE1  TYR   3           HE1      TYR   3 -10.837   5.031   2.715
   22    HE2  TYR   3           HE2      TYR   3 -10.112   3.919  -1.340
   23    HH   TYR   3           HH       TYR   3 -11.448   5.938  -0.379
   24    H    HIS   4           H        HIS   4  -8.333  -1.007   0.290
   25    HA   HIS   4           HA       HIS   4  -5.712   0.032  -0.521
   26   1HB   HIS   4          2HB       HIS   4  -5.700  -2.337  -0.508
   27   2HB   HIS   4          1HB       HIS   4  -7.270  -2.428  -1.299
   28    HD1  HIS   4           HD1      HIS   4  -7.253  -2.690  -3.776
   29    HD2  HIS   4           HD2      HIS   4  -3.588  -1.394  -2.306
   30    HE1  HIS   4           HE1      HIS   4  -5.690  -2.724  -5.744
   31    HE2  HIS   4           HE2      HIS   4  -3.452  -2.047  -4.806
   32    H    ARG   5           H        ARG   5  -5.379   0.476  -2.835
   33    HA   ARG   5           HA       ARG   5  -7.724   1.132  -4.405
   34   1HB   ARG   5          2HB       ARG   5  -6.052   3.169  -3.045
   35   2HB   ARG   5          1HB       ARG   5  -6.494   3.503  -4.713
   36   1HG   ARG   5          2HG       ARG   5  -8.744   2.605  -3.099
   37   2HG   ARG   5          1HG       ARG   5  -7.998   4.086  -2.496
   38   1HD   ARG   5          2HD       ARG   5  -9.148   5.197  -4.039
   39   2HD   ARG   5          1HD       ARG   5  -8.132   4.426  -5.256
   40    HE   ARG   5           HE       ARG   5 -10.717   3.328  -4.354
   41   1HH1  ARG   5          1HH1      ARG   5  -8.345   3.960  -6.825
   42   2HH1  ARG   5          2HH1      ARG   5  -9.272   3.217  -8.086
   43   1HH2  ARG   5          1HH2      ARG   5 -11.945   2.346  -6.008
   44   2HH2  ARG   5          2HH2      ARG   5 -11.317   2.301  -7.622
   45    H    GLU   6           H        GLU   6  -7.303   1.311  -6.596
   46    HA   GLU   6           HA       GLU   6  -4.526   0.734  -7.396
   47   1HB   GLU   6          2HB       GLU   6  -5.850  -1.184  -7.879
   48   2HB   GLU   6          1HB       GLU   6  -7.141  -0.210  -8.565
   49   1HG   GLU   6          2HG       GLU   6  -5.706   0.385 -10.441
   50   2HG   GLU   6          1HG       GLU   6  -4.397  -0.571  -9.746
   51    H    ALA   7           H        ALA   7  -4.207   1.295  -9.816
   52    HA   ALA   7           HA       ALA   7  -4.839   4.117 -10.087
   53   1HB   ALA   7          3HB       ALA   7  -3.166   4.187 -11.780
   54   2HB   ALA   7          1HB       ALA   7  -3.157   2.430 -11.928
   55   3HB   ALA   7          2HB       ALA   7  -2.539   3.194 -10.464
   56    H    ARG   8           H        ARG   8  -5.639   5.025 -12.089
   57    HA   ARG   8           HA       ARG   8  -7.962   3.715 -13.025
   58   1HB   ARG   8          2HB       ARG   8  -6.524   6.238 -13.685
   59   2HB   ARG   8          1HB       ARG   8  -7.694   5.637 -14.851
   60   1HG   ARG   8          2HG       ARG   8  -9.050   6.967 -13.612
   61   2HG   ARG   8          1HG       ARG   8  -9.219   5.463 -12.705
   62   1HD   ARG   8          2HD       ARG   8  -7.505   6.210 -11.135
   63   2HD   ARG   8          1HD       ARG   8  -7.315   7.707 -12.047
   64    HE   ARG   8           HE       ARG   8  -9.366   7.095 -10.151
   65   1HH1  ARG   8          2HH1      ARG   8  -8.621   8.937 -13.011
   66   2HH1  ARG   8          1HH1      ARG   8  -9.817  10.151 -12.699
   67   1HH2  ARG   8          1HH2      ARG   8 -10.944   8.688  -9.730
   68   2HH2  ARG   8          2HH2      ARG   8 -11.136  10.009 -10.833
   69    H    SER   9           H        SER   9  -4.681   3.634 -14.028
   70    HA   SER   9           HA       SER   9  -5.321   2.605 -16.678
   71   1HB   SER   9          2HB       SER   9  -2.746   3.322 -15.288
   72   2HB   SER   9          1HB       SER   9  -2.756   2.438 -16.813
   73    HG   SER   9           HG       SER   9  -4.395   4.579 -16.930
   74    H    GLY  10           H        GLY  10  -4.485   1.478 -13.526
   75   1HA   GLY  10          2HA       GLY  10  -3.902  -1.212 -14.563
   76   2HA   GLY  10          1HA       GLY  10  -5.226  -0.997 -13.427
   77    H    LYS  11           H        LYS  11  -3.870  -2.619 -12.249
   78    HA   LYS  11           HA       LYS  11  -2.627  -1.440 -10.044
   79   1HB   LYS  11          2HB       LYS  11  -3.635  -3.716 -10.085
   80   2HB   LYS  11          1HB       LYS  11  -2.263  -4.273 -11.034
   81   1HG   LYS  11          2HG       LYS  11  -0.756  -3.732  -9.201
   82   2HG   LYS  11          1HG       LYS  11  -2.118  -3.135  -8.250
   83   1HD   LYS  11          2HD       LYS  11  -2.195  -5.217  -7.421
   84   2HD   LYS  11          1HD       LYS  11  -2.973  -5.630  -8.951
   85   1HE   LYS  11          2HE       LYS  11  -0.442  -5.843  -9.731
   86   2HE   LYS  11          1HE       LYS  11  -0.208  -6.164  -8.013
   87   1HZ   LYS  11          3HZ       LYS  11  -2.363  -7.596  -9.369
   88   2HZ   LYS  11          2HZ       LYS  11  -0.778  -8.069  -9.721
   89   3HZ   LYS  11          1HZ       LYS  11  -1.338  -8.111  -8.125
   90    H    TYR  12           H        TYR  12  -0.408  -1.655  -9.312
   91    HA   TYR  12           HA       TYR  12   1.816  -1.240  -9.536
   92   1HB   TYR  12          2HB       TYR  12   1.352  -3.183 -11.789
   93   2HB   TYR  12          1HB       TYR  12   2.951  -2.526 -11.456
   94    HD1  TYR  12           HD1      TYR  12   1.295  -2.726  -8.397
   95    HD2  TYR  12           HD2      TYR  12   3.178  -5.191 -11.309
   96    HE1  TYR  12           HE1      TYR  12   1.651  -4.462  -6.690
   97    HE2  TYR  12           HE2      TYR  12   3.538  -6.932  -9.611
   98    HH   TYR  12           HH       TYR  12   3.076  -6.363  -6.267
   99    H    LYS  13           H        LYS  13   0.531   0.897 -10.275
  100    HA   LYS  13           HA       LYS  13   2.141   1.970 -12.429
  101   1HB   LYS  13          2HB       LYS  13  -0.835   1.661 -12.612
  102   2HB   LYS  13          1HB       LYS  13  -0.050   3.031 -13.386
  103   1HG   LYS  13          2HG       LYS  13   1.499   1.099 -14.350
  104   2HG   LYS  13          1HG       LYS  13   0.034   0.154 -14.073
  105   1HD   LYS  13          2HD       LYS  13  -0.951   2.412 -15.263
  106   2HD   LYS  13          1HD       LYS  13   0.598   2.205 -16.082
  107   1HE   LYS  13          2HE       LYS  13  -0.305  -0.332 -16.126
  108   2HE   LYS  13          1HE       LYS  13  -1.835   0.542 -16.173
  109   1HZ   LYS  13          3HZ       LYS  13   0.206   1.529 -17.974
  110   2HZ   LYS  13          2HZ       LYS  13  -0.371  -0.019 -18.332
  111   3HZ   LYS  13          1HZ       LYS  13  -1.446   1.283 -18.240
  112    H    LEU  14           H        LEU  14   0.904   2.214  -9.445
  113    HA   LEU  14           HA       LEU  14   0.612   5.136  -9.493
  114   1HB   LEU  14          2HB       LEU  14  -0.312   2.978  -7.655
  115   2HB   LEU  14          1HB       LEU  14  -0.052   4.581  -7.001
  116    HG   LEU  14           HG       LEU  14  -1.763   4.259  -9.430
  117   1HD1  LEU  14          1HD1      LEU  14  -2.306   2.725  -7.265
  118   2HD1  LEU  14          3HD1      LEU  14  -3.169   4.209  -6.854
  119   3HD1  LEU  14          2HD1      LEU  14  -3.527   3.370  -8.363
  120   1HD2  LEU  14          3HD2      LEU  14  -1.009   6.477  -8.425
  121   2HD2  LEU  14          2HD2      LEU  14  -2.735   6.272  -8.729
  122   3HD2  LEU  14          1HD2      LEU  14  -2.102   6.108  -7.091
  123    H    THR  15           H        THR  15   1.987   6.459  -8.464
  124    HA   THR  15           HA       THR  15   4.341   5.224  -7.198
  125    HB   THR  15           HB       THR  15   5.667   6.959  -7.953
  126    HG1  THR  15           HG1      THR  15   4.886   8.871  -7.462
  127   1HG2  THR  15          2HG2      THR  15   3.947   5.822  -9.834
  128   2HG2  THR  15          1HG2      THR  15   3.975   7.542 -10.222
  129   3HG2  THR  15          3HG2      THR  15   5.482   6.630 -10.153
  130    H    TYR  16           H        TYR  16   5.196   6.207  -5.272
  131    HA   TYR  16           HA       TYR  16   3.539   6.630  -3.211
  132   1HB   TYR  16          2HB       TYR  16   5.920   6.558  -2.848
  133   2HB   TYR  16          1HB       TYR  16   6.145   8.077  -3.708
  134    HD1  TYR  16           HD1      TYR  16   4.358   6.677  -0.741
  135    HD2  TYR  16           HD2      TYR  16   6.281  10.045  -2.496
  136    HE1  TYR  16           HE1      TYR  16   4.121   7.909   1.374
  137    HE2  TYR  16           HE2      TYR  16   6.047  11.285  -0.385
  138    HH   TYR  16           HH       TYR  16   4.822  11.298   1.617
  139    H    ALA  17           H        ALA  17   4.579   9.147  -5.473
  140    HA   ALA  17           HA       ALA  17   3.138  11.239  -4.180
  141   1HB   ALA  17          2HB       ALA  17   4.158  11.141  -7.016
  142   2HB   ALA  17          1HB       ALA  17   3.705  12.582  -6.106
  143   3HB   ALA  17          3HB       ALA  17   5.106  11.633  -5.613
  144    H    GLU  18           H        GLU  18   2.437   9.081  -6.909
  145    HA   GLU  18           HA       GLU  18  -0.005  10.356  -7.624
  146   1HB   GLU  18          2HB       GLU  18   1.062   7.582  -8.180
  147   2HB   GLU  18          1HB       GLU  18  -0.413   8.225  -8.881
  148   1HG   GLU  18          2HG       GLU  18   0.902  10.036  -9.914
  149   2HG   GLU  18          1HG       GLU  18   2.369   9.297  -9.273
  150    H    ALA  19           H        ALA  19   0.825   7.474  -5.753
  151    HA   ALA  19           HA       ALA  19  -1.722   6.610  -5.075
  152   1HB   ALA  19          3HB       ALA  19  -0.306   5.037  -4.337
  153   2HB   ALA  19          1HB       ALA  19  -0.228   5.999  -2.861
  154   3HB   ALA  19          2HB       ALA  19   1.003   6.197  -4.109
  155    H    LYS  20           H        LYS  20   0.424   8.890  -3.408
  156    HA   LYS  20           HA       LYS  20  -1.307   9.434  -1.241
  157   1HB   LYS  20          2HB       LYS  20   1.226   9.917  -1.515
  158   2HB   LYS  20          1HB       LYS  20   0.703  11.390  -2.318
  159   1HG   LYS  20          2HG       LYS  20  -0.698  11.069   0.167
  160   2HG   LYS  20          1HG       LYS  20   1.046  10.968   0.422
  161   1HD   LYS  20          2HD       LYS  20   0.132  13.122  -1.373
  162   2HD   LYS  20          1HD       LYS  20  -0.328  13.288   0.323
  163   1HE   LYS  20          2HE       LYS  20   2.051  12.952   0.946
  164   2HE   LYS  20          1HE       LYS  20   2.461  12.943  -0.767
  165   1HZ   LYS  20          1HZ       LYS  20   1.002  15.219  -0.456
  166   2HZ   LYS  20          3HZ       LYS  20   1.926  15.159   0.961
  167   3HZ   LYS  20          2HZ       LYS  20   2.688  15.129  -0.548
  168    H    ALA  21           H        ALA  21  -1.050  10.678  -4.478
  169    HA   ALA  21           HA       ALA  21  -2.514  13.067  -4.126
  170   1HB   ALA  21          3HB       ALA  21  -2.883  12.887  -6.615
  171   2HB   ALA  21          2HB       ALA  21  -1.201  12.866  -6.084
  172   3HB   ALA  21          1HB       ALA  21  -1.997  11.362  -6.550
  173    H    VAL  22           H        VAL  22  -3.479   9.769  -4.914
  174    HA   VAL  22           HA       VAL  22  -6.199  10.356  -5.451
  175    HB   VAL  22           HB       VAL  22  -4.698   7.842  -4.819
  176   1HG1  VAL  22          1HG1      VAL  22  -7.697   8.097  -5.008
  177   2HG1  VAL  22          3HG1      VAL  22  -6.811   6.574  -5.085
  178   3HG1  VAL  22          2HG1      VAL  22  -6.762   7.550  -3.616
  179   1HG2  VAL  22          2HG2      VAL  22  -5.283   9.206  -7.147
  180   2HG2  VAL  22          1HG2      VAL  22  -4.738   7.532  -7.027
  181   3HG2  VAL  22          3HG2      VAL  22  -6.462   7.894  -7.126
  182    H    CYS  23           H        CYS  23  -4.606   9.000  -2.576
  183    HA   CYS  23           HA       CYS  23  -6.927   8.927  -0.985
  184   1HB   CYS  23          2HB       CYS  23  -4.002   9.039  -0.234
  185   2HB   CYS  23          1HB       CYS  23  -5.302   8.772   0.919
  186    H    GLU  24           H        GLU  24  -4.286  11.299  -1.184
  187    HA   GLU  24           HA       GLU  24  -5.443  13.092   0.698
  188   1HB   GLU  24          2HB       GLU  24  -3.030  13.068   0.176
  189   2HB   GLU  24          1HB       GLU  24  -3.384  13.629  -1.451
  190   1HG   GLU  24          2HG       GLU  24  -4.214  15.718  -0.607
  191   2HG   GLU  24          1HG       GLU  24  -4.047  15.155   1.055
  192    H    PHE  25           H        PHE  25  -6.102  12.374  -2.550
  193    HA   PHE  25           HA       PHE  25  -6.908  14.787  -3.641
  194   1HB   PHE  25          2HB       PHE  25  -6.980  12.167  -4.438
  195   2HB   PHE  25          1HB       PHE  25  -8.692  12.534  -4.257
  196    HD1  PHE  25           HD1      PHE  25  -5.584  13.798  -5.848
  197    HD2  PHE  25           HD2      PHE  25  -9.833  13.618  -5.952
  198    HE1  PHE  25           HE1      PHE  25  -5.571  14.898  -8.048
  199    HE2  PHE  25           HE2      PHE  25  -9.830  14.718  -8.154
  200    HZ   PHE  25           HZ       PHE  25  -7.697  15.360  -9.204
  201    H    GLU  26           H        GLU  26  -8.812  12.486  -1.736
  202    HA   GLU  26           HA       GLU  26 -10.909  14.521  -1.440
  203   1HB   GLU  26          2HB       GLU  26 -11.065  11.593  -0.724
  204   2HB   GLU  26          1HB       GLU  26 -12.397  12.734  -0.833
  205   1HG   GLU  26          2HG       GLU  26 -11.934  12.972  -3.249
  206   2HG   GLU  26          1HG       GLU  26 -10.702  11.720  -3.100
  207    H    GLY  27           H        GLY  27  -8.795  15.189  -0.002
  208   1HA   GLY  27          1HA       GLY  27  -9.694  15.522   2.572
  209   2HA   GLY  27          2HA       GLY  27  -8.003  15.626   2.110
  210    H    GLY  28           H        GLY  28  -7.665  12.922   1.315
  211   1HA   GLY  28          2HA       GLY  28  -8.032  10.713   2.362
  212   2HA   GLY  28          1HA       GLY  28  -7.999  11.547   3.912
  213    H    HIS  29           H        HIS  29  -6.333   9.714   4.151
  214    HA   HIS  29           HA       HIS  29  -3.703  10.667   3.246
  215   1HB   HIS  29          2HB       HIS  29  -3.318   9.298   5.660
  216   2HB   HIS  29          1HB       HIS  29  -3.199  11.029   5.391
  217    HD1  HIS  29           HD1      HIS  29  -6.080  11.878   5.201
  218    HD2  HIS  29           HD2      HIS  29  -4.716   9.091   7.961
  219    HE1  HIS  29           HE1      HIS  29  -7.769  11.897   7.064
  220    HE2  HIS  29           HE2      HIS  29  -6.960  10.151   8.691
  221    H    LEU  30           H        LEU  30  -2.268   9.132   2.550
  222    HA   LEU  30           HA       LEU  30  -3.358   6.566   1.895
  223   1HB   LEU  30          2HB       LEU  30  -1.798   6.576   0.326
  224   2HB   LEU  30          1HB       LEU  30  -1.303   8.157   0.896
  225    HG   LEU  30           HG       LEU  30   0.065   6.518   2.598
  226   1HD1  LEU  30          2HD1      LEU  30  -0.860   4.672   0.942
  227   2HD1  LEU  30          1HD1      LEU  30   0.542   5.178   0.000
  228   3HD1  LEU  30          3HD1      LEU  30   0.755   4.577   1.645
  229   1HD2  LEU  30          3HD2      LEU  30   0.673   8.025   0.140
  230   2HD2  LEU  30          2HD2      LEU  30   1.389   8.136   1.748
  231   3HD2  LEU  30          1HD2      LEU  30   1.890   6.853   0.645
  232    H    ALA  31           H        ALA  31  -3.271   4.770   3.022
  233    HA   ALA  31           HA       ALA  31  -2.520   4.595   5.647
  234   1HB   ALA  31          1HB       ALA  31  -3.334   2.741   3.595
  235   2HB   ALA  31          3HB       ALA  31  -2.172   2.005   4.699
  236   3HB   ALA  31          2HB       ALA  31  -3.658   2.718   5.328
  237    H    THR  32           H        THR  32  -0.797   3.478   6.736
  238    HA   THR  32           HA       THR  32   1.765   3.697   5.297
  239    HB   THR  32           HB       THR  32   2.854   4.117   7.383
  240    HG1  THR  32           HG1      THR  32   1.327   2.643   8.555
  241   1HG2  THR  32          2HG2      THR  32   0.412   5.698   6.778
  242   2HG2  THR  32          1HG2      THR  32   1.260   6.035   8.286
  243   3HG2  THR  32          3HG2      THR  32   2.109   6.179   6.748
  244    H    TYR  33           H        TYR  33   3.348   2.359   7.131
  245    HA   TYR  33           HA       TYR  33   2.867  -0.368   6.384
  246   1HB   TYR  33          2HB       TYR  33   5.141   0.244   6.452
  247   2HB   TYR  33          1HB       TYR  33   4.975   1.025   8.016
  248    HD1  TYR  33           HD1      TYR  33   4.623  -2.371   6.480
  249    HD2  TYR  33           HD2      TYR  33   5.782  -0.075   9.871
  250    HE1  TYR  33           HE1      TYR  33   5.413  -4.417   7.589
  251    HE2  TYR  33           HE2      TYR  33   6.575  -2.116  10.989
  252    HH   TYR  33           HH       TYR  33   7.066  -5.017   9.388
  253    H    LYS  34           H        LYS  34   3.596   0.923   9.592
  254    HA   LYS  34           HA       LYS  34   2.608  -1.124  11.110
  255   1HB   LYS  34          2HB       LYS  34   2.884   1.812  11.599
  256   2HB   LYS  34          1HB       LYS  34   2.063   0.825  12.798
  257   1HG   LYS  34          2HG       LYS  34   4.516  -0.438  12.049
  258   2HG   LYS  34          1HG       LYS  34   4.820   1.243  12.492
  259   1HD   LYS  34          2HD       LYS  34   3.032   0.342  14.413
  260   2HD   LYS  34          1HD       LYS  34   4.127  -1.020  14.167
  261   1HE   LYS  34          2HE       LYS  34   6.021   0.660  14.400
  262   2HE   LYS  34          1HE       LYS  34   4.803   1.789  14.994
  263   1HZ   LYS  34          3HZ       LYS  34   4.958  -0.865  16.225
  264   2HZ   LYS  34          2HZ       LYS  34   6.143   0.272  16.627
  265   3HZ   LYS  34          1HZ       LYS  34   4.512   0.617  16.909
  266    H    GLN  35           H        GLN  35   0.810   1.628   9.784
  267    HA   GLN  35           HA       GLN  35  -1.640   1.071  11.049
  268   1HB   GLN  35          2HB       GLN  35  -1.036   2.483   8.445
  269   2HB   GLN  35          1HB       GLN  35  -2.614   2.464   9.215
  270   1HG   GLN  35          2HG       GLN  35  -1.733   3.626  11.140
  271   2HG   GLN  35          1HG       GLN  35  -0.109   3.570  10.457
  272   1HE2  GLN  35          1HE2      GLN  35  -1.240   5.946  11.214
  273   2HE2  GLN  35          2HE2      GLN  35  -1.572   6.902   9.814
  274    H    LEU  36           H        LEU  36  -0.388   0.164   7.846
  275    HA   LEU  36           HA       LEU  36  -2.611  -1.203   6.901
  276   1HB   LEU  36          2HB       LEU  36  -0.300  -0.624   5.822
  277   2HB   LEU  36          1HB       LEU  36   0.164  -2.201   6.412
  278    HG   LEU  36           HG       LEU  36  -0.517  -2.305   4.069
  279   1HD1  LEU  36          2HD1      LEU  36  -0.943  -4.241   5.521
  280   2HD1  LEU  36          1HD1      LEU  36  -2.555  -3.611   5.864
  281   3HD1  LEU  36          3HD1      LEU  36  -2.132  -4.103   4.224
  282   1HD2  LEU  36          1HD2      LEU  36  -2.343  -0.393   4.720
  283   2HD2  LEU  36          3HD2      LEU  36  -2.345  -1.328   3.226
  284   3HD2  LEU  36          2HD2      LEU  36  -3.358  -1.829   4.580
  285    H    GLU  37           H        GLU  37   0.029  -2.235   8.980
  286    HA   GLU  37           HA       GLU  37  -0.487  -4.956   9.152
  287   1HB   GLU  37          2HB       GLU  37   1.479  -3.809  10.142
  288   2HB   GLU  37          1HB       GLU  37   0.434  -3.138  11.384
  289   1HG   GLU  37          2HG       GLU  37   1.223  -4.922  12.524
  290   2HG   GLU  37          1HG       GLU  37  -0.159  -5.689  11.743
  291    H    ALA  38           H        ALA  38  -1.545  -2.458  11.435
  292    HA   ALA  38           HA       ALA  38  -3.277  -4.030  12.923
  293   1HB   ALA  38          3HB       ALA  38  -2.632  -1.896  13.759
  294   2HB   ALA  38          1HB       ALA  38  -4.382  -1.866  13.543
  295   3HB   ALA  38          2HB       ALA  38  -3.335  -1.072  12.367
  296    H    ALA  39           H        ALA  39  -3.608  -2.865   9.738
  297    HA   ALA  39           HA       ALA  39  -6.518  -3.125   9.716
  298   1HB   ALA  39          1HB       ALA  39  -4.651  -2.485   7.434
  299   2HB   ALA  39          2HB       ALA  39  -5.408  -1.280   8.476
  300   3HB   ALA  39          3HB       ALA  39  -6.406  -2.309   7.448
  301    H    ARG  40           H        ARG  40  -3.634  -4.775   8.782
  302    HA   ARG  40           HA       ARG  40  -4.806  -6.709   7.062
  303   1HB   ARG  40          2HB       ARG  40  -2.477  -6.312   6.840
  304   2HB   ARG  40          1HB       ARG  40  -2.208  -6.503   8.568
  305   1HG   ARG  40          2HG       ARG  40  -3.327  -8.869   7.252
  306   2HG   ARG  40          1HG       ARG  40  -1.722  -8.406   6.686
  307   1HD   ARG  40          2HD       ARG  40  -2.244  -8.488   9.618
  308   2HD   ARG  40          1HD       ARG  40  -2.034 -10.009   8.752
  309    HE   ARG  40           HE       ARG  40   0.061  -8.294   8.046
  310   1HH1  ARG  40          1HH1      ARG  40  -1.121 -10.043  10.817
  311   2HH1  ARG  40          2HH1      ARG  40   0.448 -10.234  11.527
  312   1HH2  ARG  40          2HH2      ARG  40   2.130  -8.541   8.973
  313   2HH2  ARG  40          1HH2      ARG  40   2.295  -9.380  10.479
  314    H    LYS  41           H        LYS  41  -4.190  -6.435  10.493
  315    HA   LYS  41           HA       LYS  41  -4.676  -9.145  11.140
  316   1HB   LYS  41          2HB       LYS  41  -5.070  -6.818  13.009
  317   2HB   LYS  41          1HB       LYS  41  -4.620  -8.469  13.415
  318   1HG   LYS  41          2HG       LYS  41  -2.523  -7.975  11.965
  319   2HG   LYS  41          1HG       LYS  41  -2.956  -6.288  12.248
  320   1HD   LYS  41          2HD       LYS  41  -1.581  -6.643  14.040
  321   2HD   LYS  41          1HD       LYS  41  -3.127  -7.114  14.749
  322   1HE   LYS  41          2HE       LYS  41  -2.479  -9.235  15.003
  323   2HE   LYS  41          1HE       LYS  41  -1.816  -9.311  13.371
  324   1HZ   LYS  41          1HZ       LYS  41   0.133  -8.038  14.281
  325   2HZ   LYS  41          3HZ       LYS  41  -0.480  -8.340  15.830
  326   3HZ   LYS  41          2HZ       LYS  41  -0.021  -9.630  14.836
  327    H    ILE  42           H        ILE  42  -6.758  -6.587  10.286
  328    HA   ILE  42           HA       ILE  42  -9.061  -7.699  11.676
  329    HB   ILE  42           HB       ILE  42 -10.276  -5.814  10.948
  330   1HG1  ILE  42          2HG1      ILE  42  -8.267  -4.584   9.213
  331   2HG1  ILE  42          1HG1      ILE  42  -8.875  -6.112   8.588
  332   1HG2  ILE  42          3HG2      ILE  42  -7.422  -5.128  11.584
  333   2HG2  ILE  42          2HG2      ILE  42  -8.665  -3.887  11.409
  334   3HG2  ILE  42          1HG2      ILE  42  -8.823  -5.124  12.656
  335   1HD1  ILE  42          1HD1      ILE  42 -11.206  -5.079   9.110
  336   2HD1  ILE  42          3HD1      ILE  42 -10.321  -3.555   9.068
  337   3HD1  ILE  42          2HD1      ILE  42 -10.331  -4.609   7.654
  338    H    GLY  43           H        GLY  43  -7.423  -8.143   8.767
  339   1HA   GLY  43          1HA       GLY  43  -9.830  -9.304   7.506
  340   2HA   GLY  43          2HA       GLY  43  -8.279 -10.135   7.518
  341    H    PHE  44           H        PHE  44  -7.139  -7.235   7.177
  342    HA   PHE  44           HA       PHE  44  -7.899  -6.645   4.449
  343   1HB   PHE  44          2HB       PHE  44  -7.251  -4.948   6.283
  344   2HB   PHE  44          1HB       PHE  44  -5.588  -5.390   5.912
  345    HD1  PHE  44           HD1      PHE  44  -7.413  -5.718   2.968
  346    HD2  PHE  44           HD2      PHE  44  -5.762  -2.755   5.539
  347    HE1  PHE  44           HE1      PHE  44  -7.410  -4.110   1.106
  348    HE2  PHE  44           HE2      PHE  44  -5.759  -1.140   3.680
  349    HZ   PHE  44           HZ       PHE  44  -6.584  -1.819   1.462
  350    H    HIS  45           H        HIS  45  -6.976  -7.450   2.692
  351    HA   HIS  45           HA       HIS  45  -4.170  -8.233   2.726
  352   1HB   HIS  45          2HB       HIS  45  -5.339 -10.285   3.367
  353   2HB   HIS  45          1HB       HIS  45  -6.392 -10.143   1.965
  354    HD1  HIS  45           HD1      HIS  45  -4.196 -12.445   2.769
  355    HD2  HIS  45           HD2      HIS  45  -3.989  -9.625  -0.273
  356    HE1  HIS  45           HE1      HIS  45  -2.600 -13.398   1.075
  357    HE2  HIS  45           HE2      HIS  45  -2.418 -11.631  -0.709
  358    H    VAL  46           H        VAL  46  -3.201  -7.593   0.914
  359    HA   VAL  46           HA       VAL  46  -4.711  -7.482  -1.584
  360    HB   VAL  46           HB       VAL  46  -2.998  -5.124  -1.193
  361   1HG1  VAL  46          2HG1      VAL  46  -5.227  -5.978  -2.774
  362   2HG1  VAL  46          1HG1      VAL  46  -5.607  -4.449  -1.985
  363   3HG1  VAL  46          3HG1      VAL  46  -4.170  -4.585  -2.998
  364   1HG2  VAL  46          2HG2      VAL  46  -4.062  -5.340   1.044
  365   2HG2  VAL  46          1HG2      VAL  46  -4.537  -3.881   0.171
  366   3HG2  VAL  46          3HG2      VAL  46  -5.638  -5.257   0.256
  367    H    CYS  47           H        CYS  47  -3.462  -9.102  -2.457
  368    HA   CYS  47           HA       CYS  47  -0.669  -9.303  -2.277
  369   1HB   CYS  47          2HB       CYS  47  -2.799 -10.528  -3.918
  370   2HB   CYS  47          1HB       CYS  47  -1.189 -10.550  -4.630
  371    H    ALA  48           H        ALA  48   0.078  -7.148  -2.636
  372    HA   ALA  48           HA       ALA  48   1.216  -6.640  -5.085
  373   1HB   ALA  48          1HB       ALA  48  -1.369  -5.108  -4.805
  374   2HB   ALA  48          2HB       ALA  48  -1.057  -6.398  -5.966
  375   3HB   ALA  48          3HB       ALA  48  -0.160  -4.884  -6.068
  376    H    ALA  49           H        ALA  49   2.830  -5.291  -4.642
  377    HA   ALA  49           HA       ALA  49   3.316  -4.091  -2.239
  378   1HB   ALA  49          2HB       ALA  49   5.241  -3.711  -3.274
  379   2HB   ALA  49          1HB       ALA  49   4.489  -4.032  -4.837
  380   3HB   ALA  49          3HB       ALA  49   4.485  -2.397  -4.176
  381    H    GLY  50           H        GLY  50   2.135  -2.662  -1.149
  382   1HA   GLY  50          2HA       GLY  50   0.219  -1.165  -1.120
  383   2HA   GLY  50          1HA       GLY  50   0.760  -0.539  -2.669
  384    H    TRP  51           H        TRP  51   1.562   1.437  -2.532
  385    HA   TRP  51           HA       TRP  51   3.739   2.219  -1.055
  386   1HB   TRP  51          2HB       TRP  51   1.469   3.762  -2.265
  387   2HB   TRP  51          1HB       TRP  51   2.709   4.597  -1.333
  388    HD1  TRP  51           HD1      TRP  51   2.008   3.274  -4.735
  389    HE1  TRP  51           HE1      TRP  51   4.111   3.489  -6.215
  390    HE3  TRP  51           HE3      TRP  51   5.438   4.406  -1.121
  391    HZ2  TRP  51           HZ2      TRP  51   6.857   4.068  -5.889
  392    HZ3  TRP  51           HZ3      TRP  51   7.778   4.777  -1.781
  393    HH2  TRP  51           HH2      TRP  51   8.471   4.610  -4.118
  394    H    MET  52           H        MET  52   4.026   3.522   0.796
  395    HA   MET  52           HA       MET  52   1.924   4.200   2.568
  396   1HB   MET  52          2HB       MET  52   3.114   2.497   4.335
  397   2HB   MET  52          1HB       MET  52   1.605   2.171   3.495
  398   1HG   MET  52          2HG       MET  52   2.897   1.018   1.724
  399   2HG   MET  52          1HG       MET  52   4.353   1.255   2.688
  400   1HE   MET  52          2HE       MET  52   5.243  -0.403   4.181
  401   2HE   MET  52          1HE       MET  52   4.522  -2.003   4.363
  402   3HE   MET  52          3HE       MET  52   4.899  -1.383   2.755
  403    H    ALA  53           H        ALA  53   2.960   4.609   4.875
  404    HA   ALA  53           HA       ALA  53   4.339   5.998   6.044
  405   1HB   ALA  53          2HB       ALA  53   6.730   4.974   4.635
  406   2HB   ALA  53          1HB       ALA  53   6.412   5.142   6.362
  407   3HB   ALA  53          3HB       ALA  53   5.710   3.797   5.463
  408    H    LYS  54           H        LYS  54   6.740   7.198   5.477
  409    HA   LYS  54           HA       LYS  54   5.913   9.434   3.944
  410   1HB   LYS  54          2HB       LYS  54   8.017   8.798   5.743
  411   2HB   LYS  54          1HB       LYS  54   8.750   9.424   4.274
  412   1HG   LYS  54          2HG       LYS  54   6.605  11.131   4.832
  413   2HG   LYS  54          1HG       LYS  54   7.396  10.827   6.378
  414   1HD   LYS  54          2HD       LYS  54   9.477  11.231   4.565
  415   2HD   LYS  54          1HD       LYS  54   8.267  12.450   4.157
  416   1HE   LYS  54          2HE       LYS  54   8.938  13.667   5.884
  417   2HE   LYS  54          1HE       LYS  54   8.439  12.369   6.971
  418   1HZ   LYS  54          1HZ       LYS  54  11.064  12.278   5.628
  419   2HZ   LYS  54          3HZ       LYS  54  10.855  13.173   7.049
  420   3HZ   LYS  54          2HZ       LYS  54  10.569  11.506   7.049
  421    H    GLY  55           H        GLY  55   6.739   6.503   2.822
  422   1HA   GLY  55          1HA       GLY  55   8.456   7.389   0.638
  423   2HA   GLY  55          2HA       GLY  55   6.820   6.909   0.198
  424    H    ARG  56           H        ARG  56   7.126   4.973   2.630
  425    HA   ARG  56           HA       ARG  56   8.911   3.001   1.420
  426   1HB   ARG  56          2HB       ARG  56   7.809   3.480   4.108
  427   2HB   ARG  56          1HB       ARG  56   7.900   1.786   3.643
  428   1HG   ARG  56          2HG       ARG  56  10.285   2.054   3.154
  429   2HG   ARG  56          1HG       ARG  56  10.187   3.745   3.650
  430   1HD   ARG  56          2HD       ARG  56   9.248   2.802   5.864
  431   2HD   ARG  56          1HD       ARG  56   9.935   1.271   5.320
  432    HE   ARG  56           HE       ARG  56  11.891   3.278   5.127
  433   1HH1  ARG  56          1HH1      ARG  56  10.127   1.463   7.519
  434   2HH1  ARG  56          2HH1      ARG  56  11.381   1.562   8.709
  435   1HH2  ARG  56          2HH2      ARG  56  13.550   3.416   6.688
  436   2HH2  ARG  56          1HH2      ARG  56  13.328   2.673   8.237
  437    H    VAL  57           H        VAL  57   8.206   1.342   0.247
  438    HA   VAL  57           HA       VAL  57   5.319   0.738   0.289
  439    HB   VAL  57           HB       VAL  57   5.440   1.305  -1.888
  440   1HG1  VAL  57          2HG1      VAL  57   8.399   0.818  -1.675
  441   2HG1  VAL  57          1HG1      VAL  57   7.608   1.220  -3.199
  442   3HG1  VAL  57          3HG1      VAL  57   7.549   2.354  -1.850
  443   1HG2  VAL  57          2HG2      VAL  57   5.379  -1.289  -1.718
  444   2HG2  VAL  57          1HG2      VAL  57   5.607  -0.525  -3.291
  445   3HG2  VAL  57          3HG2      VAL  57   6.991  -1.194  -2.425
  446    H    GLY  58           H        GLY  58   4.704  -1.287   0.761
  447   1HA   GLY  58          2HA       GLY  58   5.897  -3.167   2.104
  448   2HA   GLY  58          1HA       GLY  58   6.675  -3.456   0.554
  449    H    TYR  59           H        TYR  59   5.469  -5.575   1.410
  450    HA   TYR  59           HA       TYR  59   2.814  -5.616   0.133
  451   1HB   TYR  59          2HB       TYR  59   4.200  -8.173   0.024
  452   2HB   TYR  59          1HB       TYR  59   3.422  -7.263  -1.268
  453    HD1  TYR  59           HD1      TYR  59   4.812  -5.081  -1.997
  454    HD2  TYR  59           HD2      TYR  59   6.461  -8.563  -0.190
  455    HE1  TYR  59           HE1      TYR  59   7.013  -4.522  -2.940
  456    HE2  TYR  59           HE2      TYR  59   8.667  -8.012  -1.127
  457    HH   TYR  59           HH       TYR  59   9.860  -5.913  -1.914
  458    HA   PRO  60           HA       PRO  60   1.980  -6.859   4.436
  459   1HB   PRO  60          2HB       PRO  60  -0.760  -6.796   3.301
  460   2HB   PRO  60          1HB       PRO  60  -0.135  -6.051   4.773
  461   1HG   PRO  60          2HG       PRO  60  -0.676  -4.596   2.595
  462   2HG   PRO  60          1HG       PRO  60   0.696  -4.215   3.649
  463   1HD   PRO  60          2HD       PRO  60   0.665  -5.517   0.970
  464   2HD   PRO  60          1HD       PRO  60   1.867  -4.422   1.681
  465    H    ILE  61           H        ILE  61  -0.671  -8.095   2.512
  466    HA   ILE  61           HA       ILE  61  -1.317 -10.201   1.915
  467    HB   ILE  61           HB       ILE  61   1.405 -11.205   2.737
  468   1HG1  ILE  61          1HG1      ILE  61   1.599  -9.306   1.139
  469   2HG1  ILE  61          2HG1      ILE  61   2.152 -10.834   0.459
  470   1HG2  ILE  61          3HG2      ILE  61  -0.355 -12.884   2.355
  471   2HG2  ILE  61          2HG2      ILE  61  -0.581 -12.251   0.723
  472   3HG2  ILE  61          1HG2      ILE  61   0.952 -12.997   1.176
  473   1HD1  ILE  61          1HD1      ILE  61  -0.473 -10.791  -0.285
  474   2HD1  ILE  61          3HD1      ILE  61  -0.021  -9.088  -0.377
  475   3HD1  ILE  61          2HD1      ILE  61   0.890 -10.293  -1.289
  476    H    VAL  62           H        VAL  62  -2.842 -10.630   3.407
  477    HA   VAL  62           HA       VAL  62  -2.224 -11.173   6.151
  478    HB   VAL  62           HB       VAL  62  -4.439 -10.241   4.979
  479   1HG1  VAL  62          3HG1      VAL  62  -4.875 -13.204   5.232
  480   2HG1  VAL  62          2HG1      VAL  62  -6.199 -12.039   5.214
  481   3HG1  VAL  62          1HG1      VAL  62  -5.127 -12.178   3.819
  482   1HG2  VAL  62          2HG2      VAL  62  -3.751 -11.317   7.568
  483   2HG2  VAL  62          1HG2      VAL  62  -4.727  -9.907   7.158
  484   3HG2  VAL  62          3HG2      VAL  62  -5.472 -11.503   7.230
  485    H    LYS  63           H        LYS  63  -3.178 -13.110   3.354
  486    HA   LYS  63           HA       LYS  63  -2.448 -15.523   4.879
  487   1HB   LYS  63          2HB       LYS  63  -4.114 -16.713   3.353
  488   2HB   LYS  63          1HB       LYS  63  -4.780 -15.699   4.624
  489   1HG   LYS  63          2HG       LYS  63  -5.194 -13.921   3.025
  490   2HG   LYS  63          1HG       LYS  63  -4.471 -14.891   1.740
  491   1HD   LYS  63          2HD       LYS  63  -6.741 -15.264   1.442
  492   2HD   LYS  63          1HD       LYS  63  -6.244 -16.656   2.404
  493   1HE   LYS  63          2HE       LYS  63  -7.441 -16.010   4.198
  494   2HE   LYS  63          1HE       LYS  63  -7.081 -14.303   3.952
  495   1HZ   LYS  63          2HZ       LYS  63  -8.702 -14.392   2.058
  496   2HZ   LYS  63          1HZ       LYS  63  -9.164 -15.924   2.608
  497   3HZ   LYS  63          3HZ       LYS  63  -9.379 -14.569   3.599
  498    HA   PRO  64           HA       PRO  64   0.440 -15.409   1.352
  499   1HB   PRO  64          2HB       PRO  64   2.344 -16.907   2.578
  500   2HB   PRO  64          1HB       PRO  64   2.176 -15.168   2.830
  501   1HG   PRO  64          2HG       PRO  64   1.251 -17.431   4.547
  502   2HG   PRO  64          1HG       PRO  64   1.993 -15.895   5.022
  503   1HD   PRO  64          2HD       PRO  64  -0.682 -16.364   5.177
  504   2HD   PRO  64          1HD       PRO  64   0.004 -14.751   4.894
  505    H    GLY  65           H        GLY  65   0.716 -16.881  -0.252
  506   1HA   GLY  65          2HA       GLY  65  -0.659 -18.844  -1.074
  507   2HA   GLY  65          1HA       GLY  65  -0.017 -19.682   0.330
  508    HA   PRO  66           HA       PRO  66   2.966 -20.644  -2.968
  509   1HB   PRO  66          2HB       PRO  66   2.212 -20.280  -5.521
  510   2HB   PRO  66          1HB       PRO  66   1.483 -21.517  -4.495
  511   1HG   PRO  66          2HG       PRO  66   0.394 -18.889  -5.348
  512   2HG   PRO  66          1HG       PRO  66  -0.455 -20.404  -5.029
  513   1HD   PRO  66          2HD       PRO  66  -0.243 -18.204  -3.304
  514   2HD   PRO  66          1HD       PRO  66  -0.798 -19.828  -2.883
  515    H    ASN  67           H        ASN  67   1.895 -18.138  -5.207
  516    HA   ASN  67           HA       ASN  67   4.512 -16.839  -4.905
  517   1HB   ASN  67          2HB       ASN  67   3.526 -15.713  -7.143
  518   2HB   ASN  67          1HB       ASN  67   4.435 -17.222  -7.148
  519   1HD2  ASN  67          1HD2      ASN  67   3.093 -19.215  -6.887
  520   2HD2  ASN  67          2HD2      ASN  67   1.583 -19.264  -7.725
  521    H    CYS  68           H        CYS  68   1.158 -16.416  -4.384
  522    HA   CYS  68           HA       CYS  68   0.898 -13.638  -4.575
  523   1HB   CYS  68          2HB       CYS  68  -0.790 -15.685  -3.961
  524   2HB   CYS  68          1HB       CYS  68  -0.598 -14.926  -2.384
  525    H    GLY  69           H        GLY  69   2.179 -15.676  -2.025
  526   1HA   GLY  69          1HA       GLY  69   2.389 -14.660   0.272
  527   2HA   GLY  69          2HA       GLY  69   2.959 -13.225  -0.571
  528    H    PHE  70           H        PHE  70   3.926 -16.135  -2.023
  529    HA   PHE  70           HA       PHE  70   5.925 -17.198  -2.228
  530   1HB   PHE  70          2HB       PHE  70   6.599 -14.391  -1.688
  531   2HB   PHE  70          1HB       PHE  70   7.886 -15.522  -1.290
  532    HD1  PHE  70           HD1      PHE  70   8.158 -17.425  -3.208
  533    HD2  PHE  70           HD2      PHE  70   6.706 -13.465  -3.772
  534    HE1  PHE  70           HE1      PHE  70   8.804 -17.531  -5.580
  535    HE2  PHE  70           HE2      PHE  70   7.347 -13.563  -6.145
  536    HZ   PHE  70           HZ       PHE  70   8.399 -15.597  -7.052
  537    H    GLY  71           H        GLY  71   4.407 -17.410   0.273
  538   1HA   GLY  71          1HA       GLY  71   6.319 -18.880   1.781
  539   2HA   GLY  71          2HA       GLY  71   4.656 -18.550   2.258
  540    H    LYS  72           H        LYS  72   5.393 -15.584   1.789
  541    HA   LYS  72           HA       LYS  72   7.150 -15.093   4.055
  542   1HB   LYS  72          2HB       LYS  72   5.802 -13.213   2.110
  543   2HB   LYS  72          1HB       LYS  72   6.872 -12.697   3.408
  544   1HG   LYS  72          2HG       LYS  72   8.749 -13.642   2.401
  545   2HG   LYS  72          1HG       LYS  72   7.778 -14.671   1.346
  546   1HD   LYS  72          2HD       LYS  72   7.484 -13.042  -0.185
  547   2HD   LYS  72          1HD       LYS  72   7.325 -11.781   1.039
  548   1HE   LYS  72          2HE       LYS  72   9.541 -11.314   1.045
  549   2HE   LYS  72          1HE       LYS  72  10.004 -12.987   0.733
  550   1HZ   LYS  72          2HZ       LYS  72   9.283 -12.679  -1.580
  551   2HZ   LYS  72          1HZ       LYS  72   8.957 -11.050  -1.259
  552   3HZ   LYS  72          3HZ       LYS  72  10.543 -11.633  -1.157
  553    H    THR  73           H        THR  73   6.549 -13.843   5.872
  554    HA   THR  73           HA       THR  73   3.647 -13.757   6.378
  555    HB   THR  73           HB       THR  73   4.712 -13.879   8.880
  556    HG1  THR  73           HG1      THR  73   6.178 -15.810   7.412
  557   1HG2  THR  73          3HG2      THR  73   2.904 -15.275   7.524
  558   2HG2  THR  73          2HG2      THR  73   4.198 -16.475   7.529
  559   3HG2  THR  73          1HG2      THR  73   3.568 -15.850   9.054
  560    H    GLY  74           H        GLY  74   2.826 -11.845   6.950
  561   1HA   GLY  74          2HA       GLY  74   4.463  -9.869   8.316
  562   2HA   GLY  74          1HA       GLY  74   2.741  -9.744   7.972
  563    H    ILE  75           H        ILE  75   3.734  -7.482   7.489
  564    HA   ILE  75           HA       ILE  75   3.620  -7.127   4.678
  565    HB   ILE  75           HB       ILE  75   4.574  -5.094   6.691
  566   1HG1  ILE  75          1HG1      ILE  75   1.884  -6.208   6.142
  567   2HG1  ILE  75          2HG1      ILE  75   2.525  -5.485   7.613
  568   1HG2  ILE  75          2HG2      ILE  75   4.595  -4.940   3.990
  569   2HG2  ILE  75          1HG2      ILE  75   2.993  -4.294   4.347
  570   3HG2  ILE  75          3HG2      ILE  75   4.423  -3.551   5.065
  571   1HD1  ILE  75          3HD1      ILE  75   2.287  -3.258   6.550
  572   2HD1  ILE  75          2HD1      ILE  75   1.498  -4.047   5.184
  573   3HD1  ILE  75          1HD1      ILE  75   0.763  -4.112   6.787
  574    H    ILE  76           H        ILE  76   5.205  -7.810   3.406
  575    HA   ILE  76           HA       ILE  76   7.963  -7.795   4.248
  576    HB   ILE  76           HB       ILE  76   6.894  -8.412   1.496
  577   1HG1  ILE  76          2HG1      ILE  76   5.715  -9.912   2.878
  578   2HG1  ILE  76          1HG1      ILE  76   7.116 -10.831   2.339
  579   1HG2  ILE  76          2HG2      ILE  76   9.450  -8.055   2.221
  580   2HG2  ILE  76          1HG2      ILE  76   9.269  -9.767   2.604
  581   3HG2  ILE  76          3HG2      ILE  76   8.946  -9.190   0.969
  582   1HD1  ILE  76          2HD1      ILE  76   8.196 -10.057   4.538
  583   2HD1  ILE  76          1HD1      ILE  76   6.547  -9.672   5.031
  584   3HD1  ILE  76          3HD1      ILE  76   6.973 -11.327   4.591
  585    H    ASP  77           H        ASP  77   8.272  -5.527   4.558
  586    HA   ASP  77           HA       ASP  77   8.412  -3.960   2.071
  587   1HB   ASP  77          2HB       ASP  77   7.026  -2.762   3.521
  588   2HB   ASP  77          1HB       ASP  77   7.976  -3.190   4.939
  589    H    TYR  78           H        TYR  78  10.327  -3.255   1.341
  590    HA   TYR  78           HA       TYR  78  12.701  -3.856   2.966
  591   1HB   TYR  78          2HB       TYR  78  12.487  -3.401  -0.018
  592   2HB   TYR  78          1HB       TYR  78  13.949  -3.850   0.854
  593    HD1  TYR  78           HD1      TYR  78  10.458  -5.057   0.294
  594    HD2  TYR  78           HD2      TYR  78  14.532  -6.084   0.964
  595    HE1  TYR  78           HE1      TYR  78   9.902  -7.433  -0.008
  596    HE2  TYR  78           HE2      TYR  78  13.988  -8.463   0.662
  597    HH   TYR  78           HH       TYR  78  10.778  -9.501  -0.343
  598    H    GLY  79           H        GLY  79  10.938  -1.414   3.069
  599   1HA   GLY  79          2HA       GLY  79  13.029   0.503   3.355
  600   2HA   GLY  79          1HA       GLY  79  11.302   0.818   3.515
  601    H    ILE  80           H        ILE  80  12.150   2.859   2.403
  602    HA   ILE  80           HA       ILE  80  11.152   3.046  -0.153
  603    HB   ILE  80           HB       ILE  80  13.394   4.774   0.863
  604   1HG1  ILE  80          2HG1      ILE  80  10.457   4.837   1.562
  605   2HG1  ILE  80          1HG1      ILE  80  11.805   4.586   2.660
  606   1HG2  ILE  80          1HG2      ILE  80  11.739   4.831  -1.443
  607   2HG2  ILE  80          3HG2      ILE  80  11.307   6.204  -0.424
  608   3HG2  ILE  80          2HG2      ILE  80  12.976   5.987  -0.949
  609   1HD1  ILE  80          2HD1      ILE  80  12.571   6.917   1.987
  610   2HD1  ILE  80          1HD1      ILE  80  10.960   7.109   1.294
  611   3HD1  ILE  80          3HD1      ILE  80  11.146   6.789   3.019
  612    H    ARG  81           H        ARG  81  12.116   3.285  -2.204
  613    HA   ARG  81           HA       ARG  81  14.679   1.857  -2.481
  614   1HB   ARG  81          2HB       ARG  81  12.574   2.104  -4.624
  615   2HB   ARG  81          1HB       ARG  81  13.939   0.997  -4.569
  616   1HG   ARG  81          2HG       ARG  81  12.043   0.765  -2.336
  617   2HG   ARG  81          1HG       ARG  81  11.410   0.326  -3.923
  618   1HD   ARG  81          2HD       ARG  81  14.068  -0.750  -3.438
  619   2HD   ARG  81          1HD       ARG  81  12.888  -1.296  -2.248
  620    HE   ARG  81           HE       ARG  81  11.629  -2.282  -4.006
  621   1HH1  ARG  81          2HH1      ARG  81  14.689  -0.966  -5.021
  622   2HH1  ARG  81          1HH1      ARG  81  14.743  -1.882  -6.491
  623   1HH2  ARG  81          1HH2      ARG  81  11.688  -3.492  -5.938
  624   2HH2  ARG  81          2HH2      ARG  81  13.036  -3.317  -7.013
  625    H    LEU  82           H        LEU  82  13.963   4.817  -2.181
  626    HA   LEU  82           HA       LEU  82  14.655   6.824  -2.999
  627   1HB   LEU  82          2HB       LEU  82  16.795   5.129  -3.050
  628   2HB   LEU  82          1HB       LEU  82  16.762   5.700  -4.705
  629    HG   LEU  82           HG       LEU  82  18.263   7.089  -3.460
  630   1HD1  LEU  82          3HD1      LEU  82  15.819   8.132  -4.604
  631   2HD1  LEU  82          2HD1      LEU  82  16.494   9.220  -3.391
  632   3HD1  LEU  82          1HD1      LEU  82  17.477   8.711  -4.762
  633   1HD2  LEU  82          3HD2      LEU  82  16.012   7.227  -1.491
  634   2HD2  LEU  82          2HD2      LEU  82  17.706   6.816  -1.222
  635   3HD2  LEU  82          1HD2      LEU  82  17.245   8.486  -1.550
  636    H    ASN  83           H        ASN  83  12.661   5.356  -4.513
  637    HA   ASN  83           HA       ASN  83  12.880   6.847  -6.998
  638   1HB   ASN  83          2HB       ASN  83  13.324   4.010  -6.858
  639   2HB   ASN  83          1HB       ASN  83  11.857   4.330  -7.778
  640   1HD2  ASN  83          1HD2      ASN  83  12.163   6.283  -9.326
  641   2HD2  ASN  83          2HD2      ASN  83  13.592   6.220 -10.296
  642    H    ARG  84           H        ARG  84  11.206   8.018  -5.801
  643    HA   ARG  84           HA       ARG  84   8.744   6.835  -5.097
  644   1HB   ARG  84          2HB       ARG  84   9.563   9.678  -5.667
  645   2HB   ARG  84          1HB       ARG  84   7.926   9.248  -5.200
  646   1HG   ARG  84          2HG       ARG  84   8.908   8.180  -3.146
  647   2HG   ARG  84          1HG       ARG  84  10.442   8.928  -3.593
  648   1HD   ARG  84          2HD       ARG  84   9.326  11.136  -3.563
  649   2HD   ARG  84          1HD       ARG  84   7.850  10.350  -3.004
  650    HE   ARG  84           HE       ARG  84   9.412   9.580  -1.085
  651   1HH1  ARG  84          2HH1      ARG  84   9.494  12.663  -2.705
  652   2HH1  ARG  84          1HH1      ARG  84  10.117  13.513  -1.330
  653   1HH2  ARG  84          1HH2      ARG  84  10.235  10.691   0.728
  654   2HH2  ARG  84          2HH2      ARG  84  10.538  12.393   0.620
  655    H    SER  85           H        SER  85  10.041   6.977  -8.053
  656    HA   SER  85           HA       SER  85   7.536   7.604  -9.445
  657   1HB   SER  85          2HB       SER  85  10.389   7.779 -10.146
  658   2HB   SER  85          1HB       SER  85   9.365   7.132 -11.427
  659    HG   SER  85           HG       SER  85   9.376   9.340 -11.635
  660    H    GLU  86           H        GLU  86   8.550   5.042  -7.961
  661    HA   GLU  86           HA       GLU  86   8.722   2.998  -9.899
  662   1HB   GLU  86          2HB       GLU  86   8.181   3.094  -6.962
  663   2HB   GLU  86          1HB       GLU  86   7.867   1.598  -7.829
  664   1HG   GLU  86          2HG       GLU  86  10.475   2.810  -8.387
  665   2HG   GLU  86          1HG       GLU  86  10.241   2.281  -6.721
  666    H    ARG  87           H        ARG  87   6.956   1.086  -9.557
  667    HA   ARG  87           HA       ARG  87   4.298   2.291  -9.876
  668   1HB   ARG  87          2HB       ARG  87   3.888   0.606 -11.713
  669   2HB   ARG  87          1HB       ARG  87   4.963   1.936 -12.112
  670   1HG   ARG  87          2HG       ARG  87   6.620  -0.077 -11.126
  671   2HG   ARG  87          1HG       ARG  87   5.455  -0.892 -12.170
  672   1HD   ARG  87          2HD       ARG  87   7.293   1.384 -12.885
  673   2HD   ARG  87          1HD       ARG  87   7.319  -0.262 -13.519
  674    HE   ARG  87           HE       ARG  87   5.171   0.260 -14.599
  675   1HH1  ARG  87          2HH1      ARG  87   7.208   2.887 -13.561
  676   2HH1  ARG  87          1HH1      ARG  87   6.545   4.019 -14.691
  677   1HH2  ARG  87          1HH2      ARG  87   4.289   1.742 -16.091
  678   2HH2  ARG  87          2HH2      ARG  87   4.885   3.368 -16.130
  679    H    TRP  88           H        TRP  88   3.035   1.490  -8.380
  680    HA   TRP  88           HA       TRP  88   2.831  -1.379  -7.993
  681   1HB   TRP  88          2HB       TRP  88   3.218   0.346  -5.550
  682   2HB   TRP  88          1HB       TRP  88   3.247  -1.410  -5.663
  683    HD1  TRP  88           HD1      TRP  88   5.485   1.557  -5.660
  684    HE1  TRP  88           HE1      TRP  88   7.913   0.835  -6.121
  685    HE3  TRP  88           HE3      TRP  88   4.629  -3.249  -7.180
  686    HZ2  TRP  88           HZ2      TRP  88   9.283  -1.469  -7.009
  687    HZ3  TRP  88           HZ3      TRP  88   6.552  -4.645  -7.818
  688    HH2  TRP  88           HH2      TRP  88   8.830  -3.772  -7.734
  689    H    ASP  89           H        ASP  89   1.504  -0.495  -5.313
  690    HA   ASP  89           HA       ASP  89  -1.033   0.377  -6.531
  691   1HB   ASP  89          2HB       ASP  89  -0.802  -1.198  -3.968
  692   2HB   ASP  89          1HB       ASP  89  -2.233  -0.941  -4.964
  693    H    ALA  90           H        ALA  90  -2.445   0.944  -4.240
  694    HA   ALA  90           HA       ALA  90  -0.864   2.842  -2.692
  695   1HB   ALA  90          3HB       ALA  90  -1.554   4.147  -4.617
  696   2HB   ALA  90          1HB       ALA  90  -2.396   4.701  -3.169
  697   3HB   ALA  90          2HB       ALA  90  -3.237   3.694  -4.347
  698    H    TYR  91           H        TYR  91  -1.549   2.974  -0.624
  699    HA   TYR  91           HA       TYR  91  -4.086   1.652   0.042
  700   1HB   TYR  91          2HB       TYR  91  -1.505   2.043   1.524
  701   2HB   TYR  91          1HB       TYR  91  -2.992   1.740   2.408
  702    HD1  TYR  91           HD1      TYR  91  -4.389  -0.354   1.438
  703    HD2  TYR  91           HD2      TYR  91  -0.193   0.229   1.018
  704    HE1  TYR  91           HE1      TYR  91  -4.092  -2.768   1.093
  705    HE2  TYR  91           HE2      TYR  91   0.112  -2.185   0.671
  706    HH   TYR  91           HH       TYR  91  -1.958  -4.188  -0.256
  707    H    CYS  92           H        CYS  92  -5.728   2.845   0.802
  708    HA   CYS  92           HA       CYS  92  -5.199   5.660   1.422
  709   1HB   CYS  92          2HB       CYS  92  -7.463   4.183   0.244
  710   2HB   CYS  92          1HB       CYS  92  -7.910   5.478   1.351
  711    H    TYR  93           H        TYR  93  -6.396   6.674   3.169
  712    HA   TYR  93           HA       TYR  93  -7.380   4.949   5.284
  713   1HB   TYR  93          2HB       TYR  93  -4.900   5.094   5.610
  714   2HB   TYR  93          1HB       TYR  93  -5.073   6.835   5.797
  715    HD1  TYR  93           HD1      TYR  93  -6.558   7.688   7.684
  716    HD2  TYR  93           HD2      TYR  93  -5.192   3.664   7.452
  717    HE1  TYR  93           HE1      TYR  93  -7.013   7.406  10.082
  718    HE2  TYR  93           HE2      TYR  93  -5.644   3.369   9.853
  719    HH   TYR  93           HH       TYR  93  -6.321   4.336  11.734
  720    H    ASN  94           H        ASN  94  -9.180   5.862   5.978
  721    HA   ASN  94           HA       ASN  94  -9.267   8.763   6.360
  722   1HB   ASN  94          2HB       ASN  94 -11.259   7.131   4.785
  723   2HB   ASN  94          1HB       ASN  94 -11.643   8.718   5.444
  724   1HD2  ASN  94          2HD2      ASN  94 -11.829   9.897   3.645
  725   2HD2  ASN  94          1HD2      ASN  94 -10.574  10.122   2.479
  726    HA   PRO  95           HA       PRO  95 -10.754   7.661  10.378
  727   1HB   PRO  95          2HB       PRO  95 -12.397  10.126  10.011
  728   2HB   PRO  95          1HB       PRO  95 -11.357   9.658  11.361
  729   1HG   PRO  95          2HG       PRO  95 -10.557  11.484   9.591
  730   2HG   PRO  95          1HG       PRO  95  -9.419  10.303  10.268
  731   1HD   PRO  95          2HD       PRO  95 -10.657  10.410   7.562
  732   2HD   PRO  95          1HD       PRO  95  -9.061   9.811   8.053
  733    H    HIS  96           H        HIS  96 -12.957   8.645   7.808
  734    HA   HIS  96           HA       HIS  96 -15.018   6.887   8.964
  735   1HB   HIS  96          2HB       HIS  96 -16.688   8.314   8.249
  736   2HB   HIS  96          1HB       HIS  96 -15.410   9.469   8.617
  737    HD1  HIS  96           HD1      HIS  96 -17.594   8.337   5.920
  738    HD2  HIS  96           HD2      HIS  96 -14.005  10.406   6.243
  739    HE1  HIS  96           HE1      HIS  96 -17.261   9.457   3.694
  740    HE2  HIS  96           HE2      HIS  96 -15.121  10.764   3.938
  741    H    ALA  97           H        ALA  97 -13.210   7.775   6.113
  742    HA   ALA  97           HA       ALA  97 -13.403   6.990   3.914
  743   1HB   ALA  97          3HB       ALA  97 -11.587   5.743   4.453
  744   2HB   ALA  97          1HB       ALA  97 -12.719   4.423   4.146
  745   3HB   ALA  97          2HB       ALA  97 -12.398   4.943   5.800
  746    H    LYS  98           H        LYS  98 -15.771   7.308   3.768
  747    HA   LYS  98           HA       LYS  98 -17.240   4.758   3.752
  748   1HB   LYS  98          2HB       LYS  98 -18.170   6.567   5.186
  749   2HB   LYS  98          1HB       LYS  98 -18.360   7.566   3.752
  750   1HG   LYS  98          2HG       LYS  98 -19.726   5.475   2.902
  751   2HG   LYS  98          1HG       LYS  98 -19.908   5.192   4.634
  752   1HD   LYS  98          2HD       LYS  98 -21.412   6.825   4.819
  753   2HD   LYS  98          1HD       LYS  98 -20.364   7.968   3.979
  754   1HE   LYS  98          2HE       LYS  98 -21.595   7.824   2.136
  755   2HE   LYS  98          1HE       LYS  98 -21.426   6.069   2.113
  756   1HZ   LYS  98          1HZ       LYS  98 -23.245   6.703   4.121
  757   2HZ   LYS  98          3HZ       LYS  98 -23.692   7.601   2.758
  758   3HZ   LYS  98          2HZ       LYS  98 -23.552   5.919   2.655

  No H/Q in entry =         758
  Start of MODEL    6
    1    H1   GLY   1          2H        GLY   1 -12.622   3.281   6.533
    2    H2   GLY   1          1H        GLY   1 -12.674   1.830   7.401
    3    H3   GLY   1          3H        GLY   1 -13.107   3.283   8.154
    4   1HA   GLY   1          2HA       GLY   1 -10.784   2.282   8.601
    5   2HA   GLY   1          1HA       GLY   1 -10.961   4.014   8.363
    6    H    VAL   2           H        VAL   2  -8.869   1.769   7.744
    7    HA   VAL   2           HA       VAL   2  -7.949   3.028   5.298
    8    HB   VAL   2           HB       VAL   2  -6.192   2.763   6.800
    9   1HG1  VAL   2          1HG1      VAL   2  -7.703   0.843   7.981
   10   2HG1  VAL   2          3HG1      VAL   2  -6.389  -0.118   7.302
   11   3HG1  VAL   2          2HG1      VAL   2  -6.032   1.209   8.409
   12   1HG2  VAL   2          2HG2      VAL   2  -5.890   1.735   4.425
   13   2HG2  VAL   2          1HG2      VAL   2  -4.633   1.524   5.645
   14   3HG2  VAL   2          3HG2      VAL   2  -5.766   0.213   5.309
   15    H    TYR   3           H        TYR   3  -7.652   2.029   3.340
   16    HA   TYR   3           HA       TYR   3  -8.319  -0.789   3.054
   17   1HB   TYR   3          2HB       TYR   3  -9.910  -0.268   1.178
   18   2HB   TYR   3          1HB       TYR   3 -10.492   0.186   2.776
   19    HD1  TYR   3           HD1      TYR   3 -10.354   2.617   3.469
   20    HD2  TYR   3           HD2      TYR   3  -9.711   1.334  -0.537
   21    HE1  TYR   3           HE1      TYR   3 -10.752   4.912   2.676
   22    HE2  TYR   3           HE2      TYR   3 -10.107   3.624  -1.339
   23    HH   TYR   3           HH       TYR   3 -11.225   6.157   0.806
   24    H    HIS   4           H        HIS   4  -8.312  -1.180   0.450
   25    HA   HIS   4           HA       HIS   4  -5.664  -0.235  -0.366
   26   1HB   HIS   4          2HB       HIS   4  -6.090  -2.685  -0.264
   27   2HB   HIS   4          1HB       HIS   4  -7.315  -2.494  -1.514
   28    HD1  HIS   4           HD1      HIS   4  -6.512  -2.833  -3.828
   29    HD2  HIS   4           HD2      HIS   4  -3.422  -1.793  -1.253
   30    HE1  HIS   4           HE1      HIS   4  -4.415  -2.960  -5.209
   31    HE2  HIS   4           HE2      HIS   4  -2.549  -2.432  -3.602
   32    H    ARG   5           H        ARG   5  -5.320   0.150  -2.710
   33    HA   ARG   5           HA       ARG   5  -7.623   0.988  -4.251
   34   1HB   ARG   5          2HB       ARG   5  -5.916   2.882  -2.802
   35   2HB   ARG   5          1HB       ARG   5  -6.078   3.245  -4.514
   36   1HG   ARG   5          2HG       ARG   5  -8.556   2.632  -3.010
   37   2HG   ARG   5          1HG       ARG   5  -7.764   4.178  -2.698
   38   1HD   ARG   5          2HD       ARG   5  -8.739   4.984  -4.522
   39   2HD   ARG   5          1HD       ARG   5  -7.766   3.871  -5.481
   40    HE   ARG   5           HE       ARG   5 -10.383   3.071  -4.397
   41   1HH1  ARG   5          1HH1      ARG   5  -8.176   3.474  -7.061
   42   2HH1  ARG   5          2HH1      ARG   5  -9.195   2.656  -8.197
   43   1HH2  ARG   5          1HH2      ARG   5 -11.733   1.993  -5.886
   44   2HH2  ARG   5          2HH2      ARG   5 -11.217   1.815  -7.530
   45    H    GLU   6           H        GLU   6  -7.107   1.469  -6.461
   46    HA   GLU   6           HA       GLU   6  -4.436   0.525  -7.274
   47   1HB   GLU   6          2HB       GLU   6  -5.980  -1.200  -7.843
   48   2HB   GLU   6          1HB       GLU   6  -7.125  -0.049  -8.514
   49   1HG   GLU   6          2HG       GLU   6  -5.712   0.376 -10.384
   50   2HG   GLU   6          1HG       GLU   6  -4.395  -0.552  -9.666
   51    H    ALA   7           H        ALA   7  -4.021   1.156  -9.656
   52    HA   ALA   7           HA       ALA   7  -4.169   4.026  -9.783
   53   1HB   ALA   7          1HB       ALA   7  -2.461   3.902 -11.255
   54   2HB   ALA   7          3HB       ALA   7  -2.314   2.267 -10.610
   55   3HB   ALA   7          2HB       ALA   7  -3.169   2.542 -12.128
   56    H    ARG   8           H        ARG   8  -4.866   5.181 -11.736
   57    HA   ARG   8           HA       ARG   8  -7.535   4.575 -12.403
   58   1HB   ARG   8          2HB       ARG   8  -5.651   6.696 -12.905
   59   2HB   ARG   8          1HB       ARG   8  -6.522   6.307 -14.381
   60   1HG   ARG   8          2HG       ARG   8  -8.010   6.717 -11.825
   61   2HG   ARG   8          1HG       ARG   8  -7.462   8.100 -12.771
   62   1HD   ARG   8          2HD       ARG   8  -9.572   7.776 -13.628
   63   2HD   ARG   8          1HD       ARG   8  -8.592   6.834 -14.751
   64    HE   ARG   8           HE       ARG   8  -9.403   4.854 -13.759
   65   1HH1  ARG   8          1HH1      ARG   8 -10.804   7.734 -12.393
   66   2HH1  ARG   8          2HH1      ARG   8 -12.136   6.898 -11.666
   67   1HH2  ARG   8          2HH2      ARG   8 -11.153   3.743 -12.807
   68   2HH2  ARG   8          1HH2      ARG   8 -12.334   4.629 -11.902
   69    H    SER   9           H        SER   9  -4.553   3.529 -13.721
   70    HA   SER   9           HA       SER   9  -5.849   2.616 -16.189
   71   1HB   SER   9          2HB       SER   9  -3.049   3.262 -15.431
   72   2HB   SER   9          1HB       SER   9  -3.280   1.955 -16.594
   73    HG   SER   9           HG       SER   9  -3.146   3.831 -17.755
   74    H    GLY  10           H        GLY  10  -3.801   1.440 -13.542
   75   1HA   GLY  10          2HA       GLY  10  -3.876  -1.266 -14.323
   76   2HA   GLY  10          1HA       GLY  10  -5.154  -0.954 -13.161
   77    H    LYS  11           H        LYS  11  -3.745  -2.666 -12.071
   78    HA   LYS  11           HA       LYS  11  -2.452  -1.529  -9.874
   79   1HB   LYS  11          2HB       LYS  11  -3.335  -3.698  -9.595
   80   2HB   LYS  11          1HB       LYS  11  -2.491  -4.316 -11.008
   81   1HG   LYS  11          2HG       LYS  11  -0.401  -4.286  -9.879
   82   2HG   LYS  11          1HG       LYS  11  -1.080  -3.387  -8.519
   83   1HD   LYS  11          2HD       LYS  11  -1.855  -5.245  -7.544
   84   2HD   LYS  11          1HD       LYS  11  -2.506  -5.868  -9.062
   85   1HE   LYS  11          2HE       LYS  11  -0.137  -6.484  -9.680
   86   2HE   LYS  11          1HE       LYS  11   0.305  -6.111  -8.014
   87   1HZ   LYS  11          2HZ       LYS  11  -1.902  -7.787  -7.904
   88   2HZ   LYS  11          1HZ       LYS  11  -0.856  -8.464  -9.048
   89   3HZ   LYS  11          3HZ       LYS  11  -0.308  -8.154  -7.478
   90    H    TYR  12           H        TYR  12  -0.263  -1.487  -9.247
   91    HA   TYR  12           HA       TYR  12   1.956  -1.089  -9.517
   92   1HB   TYR  12          2HB       TYR  12   1.503  -3.126 -11.689
   93   2HB   TYR  12          1HB       TYR  12   3.090  -2.415 -11.410
   94    HD1  TYR  12           HD1      TYR  12   1.327  -2.621  -8.364
   95    HD2  TYR  12           HD2      TYR  12   3.552  -4.981 -11.118
   96    HE1  TYR  12           HE1      TYR  12   1.753  -4.273  -6.594
   97    HE2  TYR  12           HE2      TYR  12   3.985  -6.640  -9.354
   98    HH   TYR  12           HH       TYR  12   3.145  -7.364  -7.259
   99    H    LYS  13           H        LYS  13   0.647   0.994 -10.275
  100    HA   LYS  13           HA       LYS  13   2.161   2.031 -12.513
  101   1HB   LYS  13          2HB       LYS  13  -0.823   1.707 -12.577
  102   2HB   LYS  13          1HB       LYS  13  -0.058   3.038 -13.435
  103   1HG   LYS  13          2HG       LYS  13   1.419   1.197 -14.489
  104   2HG   LYS  13          1HG       LYS  13   0.152   0.100 -13.937
  105   1HD   LYS  13          2HD       LYS  13  -1.206   2.210 -15.146
  106   2HD   LYS  13          1HD       LYS  13   0.174   1.896 -16.199
  107   1HE   LYS  13          2HE       LYS  13  -1.203  -0.511 -15.254
  108   2HE   LYS  13          1HE       LYS  13  -2.190   0.541 -16.269
  109   1HZ   LYS  13          3HZ       LYS  13   0.424   0.205 -17.346
  110   2HZ   LYS  13          2HZ       LYS  13  -0.336  -1.290 -17.124
  111   3HZ   LYS  13          1HZ       LYS  13  -1.079  -0.096 -18.063
  112    H    LEU  14           H        LEU  14   1.018   2.310  -9.500
  113    HA   LEU  14           HA       LEU  14   0.714   5.232  -9.575
  114   1HB   LEU  14          2HB       LEU  14  -0.176   3.093  -7.690
  115   2HB   LEU  14          1HB       LEU  14   0.068   4.716  -7.081
  116    HG   LEU  14           HG       LEU  14  -1.696   4.218  -9.457
  117   1HD1  LEU  14          2HD1      LEU  14  -2.253   2.831  -7.312
  118   2HD1  LEU  14          1HD1      LEU  14  -2.830   4.384  -6.705
  119   3HD1  LEU  14          3HD1      LEU  14  -3.526   3.697  -8.173
  120   1HD2  LEU  14          3HD2      LEU  14  -0.798   6.516  -8.356
  121   2HD2  LEU  14          2HD2      LEU  14  -2.330   6.361  -9.214
  122   3HD2  LEU  14          1HD2      LEU  14  -2.295   6.283  -7.453
  123    H    THR  15           H        THR  15   2.067   6.561  -8.489
  124    HA   THR  15           HA       THR  15   4.452   5.319  -7.288
  125    HB   THR  15           HB       THR  15   5.755   7.088  -8.012
  126    HG1  THR  15           HG1      THR  15   4.914   8.962  -7.443
  127   1HG2  THR  15          1HG2      THR  15   3.974   5.999  -9.905
  128   2HG2  THR  15          3HG2      THR  15   4.123   7.715 -10.284
  129   3HG2  THR  15          2HG2      THR  15   5.564   6.702 -10.198
  130    H    TYR  16           H        TYR  16   5.300   6.237  -5.338
  131    HA   TYR  16           HA       TYR  16   3.649   6.622  -3.266
  132   1HB   TYR  16          2HB       TYR  16   6.015   6.527  -2.881
  133   2HB   TYR  16          1HB       TYR  16   6.272   8.041  -3.742
  134    HD1  TYR  16           HD1      TYR  16   4.454   6.673  -0.779
  135    HD2  TYR  16           HD2      TYR  16   6.438  10.007  -2.533
  136    HE1  TYR  16           HE1      TYR  16   4.229   7.914   1.332
  137    HE2  TYR  16           HE2      TYR  16   6.218  11.255  -0.424
  138    HH   TYR  16           HH       TYR  16   5.924  10.349   2.229
  139    H    ALA  17           H        ALA  17   4.659   9.167  -5.503
  140    HA   ALA  17           HA       ALA  17   3.235  11.241  -4.147
  141   1HB   ALA  17          1HB       ALA  17   4.253  11.206  -6.987
  142   2HB   ALA  17          3HB       ALA  17   3.803  12.627  -6.043
  143   3HB   ALA  17          2HB       ALA  17   5.206  11.664  -5.574
  144    H    GLU  18           H        GLU  18   2.529   9.128  -6.907
  145    HA   GLU  18           HA       GLU  18   0.095  10.426  -7.611
  146   1HB   GLU  18          2HB       GLU  18   1.145   7.654  -8.209
  147   2HB   GLU  18          1HB       GLU  18  -0.314   8.331  -8.913
  148   1HG   GLU  18          2HG       GLU  18   1.027  10.134  -9.910
  149   2HG   GLU  18          1HG       GLU  18   2.481   9.387  -9.250
  150    H    ALA  19           H        ALA  19   0.929   7.560  -5.730
  151    HA   ALA  19           HA       ALA  19  -1.640   6.684  -5.100
  152   1HB   ALA  19          3HB       ALA  19  -0.227   5.086  -4.405
  153   2HB   ALA  19          1HB       ALA  19  -0.175   6.000  -2.898
  154   3HB   ALA  19          2HB       ALA  19   1.079   6.236  -4.117
  155    H    LYS  20           H        LYS  20   0.513   8.940  -3.416
  156    HA   LYS  20           HA       LYS  20  -1.233   9.452  -1.242
  157   1HB   LYS  20          2HB       LYS  20   1.320   9.897  -1.493
  158   2HB   LYS  20          1HB       LYS  20   0.817  11.406  -2.236
  159   1HG   LYS  20          2HG       LYS  20  -0.412  11.999  -0.206
  160   2HG   LYS  20          1HG       LYS  20   0.107  10.486   0.542
  161   1HD   LYS  20          2HD       LYS  20   2.495  11.305   0.014
  162   2HD   LYS  20          1HD       LYS  20   1.745  12.889  -0.188
  163   1HE   LYS  20          2HE       LYS  20   0.666  12.290   2.142
  164   2HE   LYS  20          1HE       LYS  20   2.071  11.234   2.265
  165   1HZ   LYS  20          3HZ       LYS  20   2.622  13.946   1.398
  166   2HZ   LYS  20          2HZ       LYS  20   2.072  13.798   2.991
  167   3HZ   LYS  20          1HZ       LYS  20   3.460  12.967   2.495
  168    H    ALA  21           H        ALA  21  -0.963  10.687  -4.466
  169    HA   ALA  21           HA       ALA  21  -2.358  13.123  -4.098
  170   1HB   ALA  21          3HB       ALA  21  -2.703  12.986  -6.589
  171   2HB   ALA  21          2HB       ALA  21  -1.026  12.899  -6.048
  172   3HB   ALA  21          1HB       ALA  21  -1.872  11.431  -6.537
  173    H    VAL  22           H        VAL  22  -3.389   9.867  -4.992
  174    HA   VAL  22           HA       VAL  22  -6.096  10.530  -5.503
  175    HB   VAL  22           HB       VAL  22  -4.642   7.967  -4.985
  176   1HG1  VAL  22          2HG1      VAL  22  -7.638   8.265  -5.157
  177   2HG1  VAL  22          1HG1      VAL  22  -6.764   6.737  -5.264
  178   3HG1  VAL  22          3HG1      VAL  22  -6.713   7.680  -3.774
  179   1HG2  VAL  22          3HG2      VAL  22  -6.009   9.299  -7.273
  180   2HG2  VAL  22          2HG2      VAL  22  -4.435   8.504  -7.205
  181   3HG2  VAL  22          1HG2      VAL  22  -5.910   7.538  -7.244
  182    H    CYS  23           H        CYS  23  -4.529   9.041  -2.681
  183    HA   CYS  23           HA       CYS  23  -6.851   8.929  -1.096
  184   1HB   CYS  23          2HB       CYS  23  -3.916   8.939  -0.404
  185   2HB   CYS  23          1HB       CYS  23  -5.175   8.773   0.812
  186    H    GLU  24           H        GLU  24  -4.214  11.308  -1.241
  187    HA   GLU  24           HA       GLU  24  -5.400  13.034   0.706
  188   1HB   GLU  24          2HB       GLU  24  -2.903  12.819  -0.149
  189   2HB   GLU  24          1HB       GLU  24  -3.425  14.053  -1.286
  190   1HG   GLU  24          2HG       GLU  24  -3.579  15.652   0.299
  191   2HG   GLU  24          1HG       GLU  24  -4.077  14.518   1.553
  192    H    PHE  25           H        PHE  25  -6.019  12.419  -2.551
  193    HA   PHE  25           HA       PHE  25  -6.697  14.886  -3.617
  194   1HB   PHE  25          2HB       PHE  25  -6.860  12.294  -4.473
  195   2HB   PHE  25          1HB       PHE  25  -8.560  12.711  -4.291
  196    HD1  PHE  25           HD1      PHE  25  -5.406  13.910  -5.846
  197    HD2  PHE  25           HD2      PHE  25  -9.660  13.866  -5.966
  198    HE1  PHE  25           HE1      PHE  25  -5.350  15.056  -8.021
  199    HE2  PHE  25           HE2      PHE  25  -9.613  15.012  -8.145
  200    HZ   PHE  25           HZ       PHE  25  -7.456  15.610  -9.174
  201    H    GLU  26           H        GLU  26  -8.726  12.641  -1.775
  202    HA   GLU  26           HA       GLU  26 -10.743  14.754  -1.490
  203   1HB   GLU  26          2HB       GLU  26 -11.015  11.832  -0.785
  204   2HB   GLU  26          1HB       GLU  26 -12.304  13.022  -0.900
  205   1HG   GLU  26          2HG       GLU  26 -11.816  13.252  -3.311
  206   2HG   GLU  26          1HG       GLU  26 -10.628  11.959  -3.159
  207    H    GLY  27           H        GLY  27  -8.610  15.327  -0.031
  208   1HA   GLY  27          1HA       GLY  27  -9.533  15.669   2.542
  209   2HA   GLY  27          2HA       GLY  27  -7.839  15.752   2.089
  210    H    GLY  28           H        GLY  28  -7.517  13.061   1.277
  211   1HA   GLY  28          2HA       GLY  28  -7.925  10.843   2.293
  212   2HA   GLY  28          1HA       GLY  28  -7.900  11.659   3.852
  213    H    HIS  29           H        HIS  29  -6.261   9.716   3.954
  214    HA   HIS  29           HA       HIS  29  -3.613  10.669   3.122
  215   1HB   HIS  29          2HB       HIS  29  -3.212   9.320   5.523
  216   2HB   HIS  29          1HB       HIS  29  -3.150  11.057   5.273
  217    HD1  HIS  29           HD1      HIS  29  -6.068  11.801   5.095
  218    HD2  HIS  29           HD2      HIS  29  -4.583   9.060   7.839
  219    HE1  HIS  29           HE1      HIS  29  -7.746  11.749   6.967
  220    HE2  HIS  29           HE2      HIS  29  -6.784  10.144   8.655
  221    H    LEU  30           H        LEU  30  -2.166   9.096   2.498
  222    HA   LEU  30           HA       LEU  30  -3.311   6.555   1.811
  223   1HB   LEU  30          2HB       LEU  30  -1.745   6.543   0.250
  224   2HB   LEU  30          1HB       LEU  30  -1.216   8.109   0.831
  225    HG   LEU  30           HG       LEU  30   0.102   6.424   2.531
  226   1HD1  LEU  30          3HD1      LEU  30  -0.845   4.598   0.899
  227   2HD1  LEU  30          2HD1      LEU  30   0.515   5.107  -0.101
  228   3HD1  LEU  30          1HD1      LEU  30   0.799   4.494   1.529
  229   1HD2  LEU  30          3HD2      LEU  30   0.751   7.970   0.116
  230   2HD2  LEU  30          2HD2      LEU  30   1.492   7.996   1.716
  231   3HD2  LEU  30          1HD2      LEU  30   1.933   6.738   0.560
  232    H    ALA  31           H        ALA  31  -3.280   4.769   2.947
  233    HA   ALA  31           HA       ALA  31  -2.561   4.572   5.575
  234   1HB   ALA  31          1HB       ALA  31  -3.400   2.749   3.518
  235   2HB   ALA  31          3HB       ALA  31  -2.231   1.980   4.591
  236   3HB   ALA  31          2HB       ALA  31  -3.699   2.698   5.256
  237    H    THR  32           H        THR  32  -0.868   3.476   6.699
  238    HA   THR  32           HA       THR  32   1.717   3.632   5.294
  239    HB   THR  32           HB       THR  32   2.781   4.093   7.375
  240    HG1  THR  32           HG1      THR  32   1.204   2.610   8.528
  241   1HG2  THR  32          2HG2      THR  32   0.375   5.658   6.675
  242   2HG2  THR  32          1HG2      THR  32   1.072   5.974   8.264
  243   3HG2  THR  32          3HG2      THR  32   2.059   6.165   6.816
  244    H    TYR  33           H        TYR  33   3.225   2.307   7.236
  245    HA   TYR  33           HA       TYR  33   2.719  -0.430   6.513
  246   1HB   TYR  33          2HB       TYR  33   5.006   0.172   6.593
  247   2HB   TYR  33          1HB       TYR  33   4.831   0.945   8.162
  248    HD1  TYR  33           HD1      TYR  33   4.417  -2.437   6.609
  249    HD2  TYR  33           HD2      TYR  33   5.626  -0.178  10.006
  250    HE1  TYR  33           HE1      TYR  33   5.157  -4.504   7.713
  251    HE2  TYR  33           HE2      TYR  33   6.370  -2.240  11.119
  252    HH   TYR  33           HH       TYR  33   6.788  -4.432  10.848
  253    H    LYS  34           H        LYS  34   3.427   0.940   9.693
  254    HA   LYS  34           HA       LYS  34   2.414  -1.052  11.263
  255   1HB   LYS  34          2HB       LYS  34   2.295   1.918  11.811
  256   2HB   LYS  34          1HB       LYS  34   2.092   0.662  13.021
  257   1HG   LYS  34          2HG       LYS  34   4.492   0.000  11.880
  258   2HG   LYS  34          1HG       LYS  34   4.519   1.765  11.855
  259   1HD   LYS  34          2HD       LYS  34   4.075   1.842  14.232
  260   2HD   LYS  34          1HD       LYS  34   3.915   0.086  14.287
  261   1HE   LYS  34          2HE       LYS  34   6.435   1.297  13.246
  262   2HE   LYS  34          1HE       LYS  34   6.158   1.239  14.986
  263   1HZ   LYS  34          3HZ       LYS  34   5.782  -1.201  13.394
  264   2HZ   LYS  34          2HZ       LYS  34   7.353  -0.712  13.788
  265   3HZ   LYS  34          1HZ       LYS  34   6.236  -1.036  15.016
  266    H    GLN  35           H        GLN  35   0.636   1.587   9.724
  267    HA   GLN  35           HA       GLN  35  -1.841   1.084  10.991
  268   1HB   GLN  35          2HB       GLN  35  -1.182   2.402   8.351
  269   2HB   GLN  35          1HB       GLN  35  -2.781   2.392   9.075
  270   1HG   GLN  35          2HG       GLN  35  -1.925   3.605  11.008
  271   2HG   GLN  35          1HG       GLN  35  -0.315   3.608  10.292
  272   1HE2  GLN  35          1HE2      GLN  35  -1.435   5.959  11.001
  273   2HE2  GLN  35          2HE2      GLN  35  -1.880   6.864   9.598
  274    H    LEU  36           H        LEU  36  -0.626   0.199   7.759
  275    HA   LEU  36           HA       LEU  36  -2.820  -1.330   6.963
  276   1HB   LEU  36          2HB       LEU  36  -0.279  -0.726   5.944
  277   2HB   LEU  36          1HB       LEU  36  -0.333  -2.475   6.031
  278    HG   LEU  36           HG       LEU  36  -1.042  -1.478   3.833
  279   1HD1  LEU  36          1HD1      LEU  36  -2.288  -3.553   5.389
  280   2HD1  LEU  36          3HD1      LEU  36  -3.444  -2.833   4.269
  281   3HD1  LEU  36          2HD1      LEU  36  -1.930  -3.504   3.663
  282   1HD2  LEU  36          1HD2      LEU  36  -2.703   0.063   5.536
  283   2HD2  LEU  36          3HD2      LEU  36  -2.551   0.143   3.781
  284   3HD2  LEU  36          2HD2      LEU  36  -3.742  -0.930   4.515
  285    H    GLU  37           H        GLU  37  -0.312  -1.966   9.226
  286    HA   GLU  37           HA       GLU  37  -0.466  -4.800   9.268
  287   1HB   GLU  37          2HB       GLU  37   1.420  -3.465  10.209
  288   2HB   GLU  37          1HB       GLU  37   0.353  -2.938  11.501
  289   1HG   GLU  37          2HG       GLU  37   1.414  -4.666  12.531
  290   2HG   GLU  37          1HG       GLU  37   0.021  -5.508  11.853
  291    H    ALA  38           H        ALA  38  -1.652  -2.407  11.606
  292    HA   ALA  38           HA       ALA  38  -3.241  -4.143  13.086
  293   1HB   ALA  38          2HB       ALA  38  -3.118  -2.242  14.272
  294   2HB   ALA  38          1HB       ALA  38  -2.950  -1.242  12.830
  295   3HB   ALA  38          3HB       ALA  38  -4.550  -1.766  13.358
  296    H    ALA  39           H        ALA  39  -3.679  -2.951   9.947
  297    HA   ALA  39           HA       ALA  39  -6.578  -3.344   9.965
  298   1HB   ALA  39          2HB       ALA  39  -4.784  -2.511   7.684
  299   2HB   ALA  39          3HB       ALA  39  -5.598  -1.392   8.776
  300   3HB   ALA  39          1HB       ALA  39  -6.546  -2.442   7.723
  301    H    ARG  40           H        ARG  40  -3.616  -4.789   8.943
  302    HA   ARG  40           HA       ARG  40  -4.719  -6.732   7.175
  303   1HB   ARG  40          2HB       ARG  40  -2.424  -6.157   6.908
  304   2HB   ARG  40          1HB       ARG  40  -2.088  -6.442   8.611
  305   1HG   ARG  40          2HG       ARG  40  -3.010  -8.883   7.780
  306   2HG   ARG  40          1HG       ARG  40  -2.125  -8.305   6.367
  307   1HD   ARG  40          2HD       ARG  40  -0.274  -9.019   7.374
  308   2HD   ARG  40          1HD       ARG  40  -0.471  -7.670   8.491
  309    HE   ARG  40           HE       ARG  40  -2.027  -9.651   9.538
  310   1HH1  ARG  40          1HH1      ARG  40   1.320  -9.380   8.612
  311   2HH1  ARG  40          2HH1      ARG  40   1.873 -10.517   9.796
  312   1HH2  ARG  40          2HH2      ARG  40  -1.307 -11.149  11.101
  313   2HH2  ARG  40          1HH2      ARG  40   0.380 -11.523  11.210
  314    H    LYS  41           H        LYS  41  -4.015  -6.530  10.591
  315    HA   LYS  41           HA       LYS  41  -4.297  -9.286  11.164
  316   1HB   LYS  41          2HB       LYS  41  -4.743  -6.997  13.074
  317   2HB   LYS  41          1HB       LYS  41  -4.293  -8.649  13.477
  318   1HG   LYS  41          2HG       LYS  41  -2.227  -8.080  11.932
  319   2HG   LYS  41          1HG       LYS  41  -2.637  -6.433  12.414
  320   1HD   LYS  41          2HD       LYS  41  -2.073  -6.780  14.594
  321   2HD   LYS  41          1HD       LYS  41  -2.522  -8.487  14.549
  322   1HE   LYS  41          2HE       LYS  41  -0.503  -8.928  13.176
  323   2HE   LYS  41          1HE       LYS  41  -0.039  -7.240  13.382
  324   1HZ   LYS  41          1HZ       LYS  41  -0.608  -8.423  15.891
  325   2HZ   LYS  41          3HZ       LYS  41   0.546  -9.346  15.065
  326   3HZ   LYS  41          2HZ       LYS  41   0.825  -7.702  15.352
  327    H    ILE  42           H        ILE  42  -6.571  -6.831  10.479
  328    HA   ILE  42           HA       ILE  42  -8.751  -8.137  11.889
  329    HB   ILE  42           HB       ILE  42 -10.108  -6.319  11.249
  330   1HG1  ILE  42          2HG1      ILE  42  -8.243  -4.907   9.496
  331   2HG1  ILE  42          1HG1      ILE  42  -8.750  -6.459   8.843
  332   1HG2  ILE  42          1HG2      ILE  42  -7.286  -5.446  11.807
  333   2HG2  ILE  42          3HG2      ILE  42  -8.631  -4.306  11.736
  334   3HG2  ILE  42          2HG2      ILE  42  -8.634  -5.598  12.936
  335   1HD1  ILE  42          3HD1      ILE  42 -11.071  -5.209   9.811
  336   2HD1  ILE  42          2HD1      ILE  42 -10.167  -3.988   8.915
  337   3HD1  ILE  42          1HD1      ILE  42 -10.611  -5.506   8.135
  338    H    GLY  43           H        GLY  43  -7.206  -8.340   8.883
  339   1HA   GLY  43          1HA       GLY  43  -9.583  -9.583   7.649
  340   2HA   GLY  43          2HA       GLY  43  -8.026 -10.401   7.655
  341    H    PHE  44           H        PHE  44  -7.002  -7.415   7.355
  342    HA   PHE  44           HA       PHE  44  -7.720  -6.864   4.613
  343   1HB   PHE  44          2HB       PHE  44  -7.163  -5.148   6.461
  344   2HB   PHE  44          1HB       PHE  44  -5.481  -5.529   6.112
  345    HD1  PHE  44           HD1      PHE  44  -7.289  -5.898   3.151
  346    HD2  PHE  44           HD2      PHE  44  -5.701  -2.915   5.737
  347    HE1  PHE  44           HE1      PHE  44  -7.313  -4.283   1.296
  348    HE2  PHE  44           HE2      PHE  44  -5.724  -1.293   3.887
  349    HZ   PHE  44           HZ       PHE  44  -6.528  -1.978   1.663
  350    H    HIS  45           H        HIS  45  -6.810  -7.819   2.932
  351    HA   HIS  45           HA       HIS  45  -3.952  -8.441   2.994
  352   1HB   HIS  45          2HB       HIS  45  -5.079 -10.516   3.643
  353   2HB   HIS  45          1HB       HIS  45  -6.104 -10.422   2.218
  354    HD1  HIS  45           HD1      HIS  45  -4.202 -12.830   2.852
  355    HD2  HIS  45           HD2      HIS  45  -3.332  -9.690   0.273
  356    HE1  HIS  45           HE1      HIS  45  -2.467 -13.722   1.267
  357    HE2  HIS  45           HE2      HIS  45  -2.023 -11.834  -0.340
  358    H    VAL  46           H        VAL  46  -2.972  -7.786   1.188
  359    HA   VAL  46           HA       VAL  46  -4.431  -7.783  -1.335
  360    HB   VAL  46           HB       VAL  46  -2.889  -5.320  -1.034
  361   1HG1  VAL  46          1HG1      VAL  46  -5.232  -6.338  -2.395
  362   2HG1  VAL  46          3HG1      VAL  46  -5.509  -4.733  -1.720
  363   3HG1  VAL  46          2HG1      VAL  46  -4.165  -5.002  -2.829
  364   1HG2  VAL  46          3HG2      VAL  46  -3.840  -5.564   1.269
  365   2HG2  VAL  46          2HG2      VAL  46  -4.382  -4.126   0.399
  366   3HG2  VAL  46          1HG2      VAL  46  -5.447  -5.526   0.544
  367    H    CYS  47           H        CYS  47  -3.124  -9.176  -2.379
  368    HA   CYS  47           HA       CYS  47  -0.285  -9.196  -2.083
  369   1HB   CYS  47          2HB       CYS  47  -2.173 -10.964  -3.067
  370   2HB   CYS  47          1HB       CYS  47  -1.305 -10.458  -4.514
  371    H    ALA  48           H        ALA  48   0.175  -6.962  -2.548
  372    HA   ALA  48           HA       ALA  48   1.194  -6.511  -5.105
  373   1HB   ALA  48          1HB       ALA  48  -1.245  -6.384  -5.670
  374   2HB   ALA  48          2HB       ALA  48  -0.311  -4.948  -6.090
  375   3HB   ALA  48          3HB       ALA  48  -1.339  -4.944  -4.656
  376    H    ALA  49           H        ALA  49   2.813  -5.148  -4.764
  377    HA   ALA  49           HA       ALA  49   3.484  -3.902  -2.461
  378   1HB   ALA  49          2HB       ALA  49   5.251  -3.520  -3.755
  379   2HB   ALA  49          1HB       ALA  49   4.284  -3.671  -5.222
  380   3HB   ALA  49          3HB       ALA  49   4.395  -2.117  -4.396
  381    H    GLY  50           H        GLY  50   2.332  -2.575  -1.222
  382   1HA   GLY  50          2HA       GLY  50   0.350  -1.183  -0.975
  383   2HA   GLY  50          1HA       GLY  50   0.725  -0.480  -2.540
  384    H    TRP  51           H        TRP  51   1.628   1.453  -2.504
  385    HA   TRP  51           HA       TRP  51   3.816   2.273  -1.073
  386   1HB   TRP  51          2HB       TRP  51   1.525   3.774  -2.291
  387   2HB   TRP  51          1HB       TRP  51   2.766   4.640  -1.387
  388    HD1  TRP  51           HD1      TRP  51   2.039   3.304  -4.763
  389    HE1  TRP  51           HE1      TRP  51   4.138   3.468  -6.258
  390    HE3  TRP  51           HE3      TRP  51   5.509   4.366  -1.170
  391    HZ2  TRP  51           HZ2      TRP  51   6.902   3.980  -5.942
  392    HZ3  TRP  51           HZ3      TRP  51   7.854   4.679  -1.838
  393    HH2  TRP  51           HH2      TRP  51   8.536   4.487  -4.175
  394    H    MET  52           H        MET  52   4.074   3.750   0.699
  395    HA   MET  52           HA       MET  52   2.044   4.462   2.492
  396   1HB   MET  52          2HB       MET  52   3.084   2.780   4.320
  397   2HB   MET  52          1HB       MET  52   1.638   2.421   3.389
  398   1HG   MET  52          2HG       MET  52   2.852   1.051   1.876
  399   2HG   MET  52          1HG       MET  52   4.395   1.580   2.544
  400   1HE   MET  52          2HE       MET  52   2.772  -1.249   1.982
  401   2HE   MET  52          1HE       MET  52   2.572  -2.222   3.439
  402   3HE   MET  52          3HE       MET  52   1.368  -1.002   3.022
  403    H    ALA  53           H        ALA  53   3.096   4.847   4.796
  404    HA   ALA  53           HA       ALA  53   4.518   6.206   5.946
  405   1HB   ALA  53          2HB       ALA  53   6.878   5.037   4.601
  406   2HB   ALA  53          1HB       ALA  53   6.539   5.256   6.319
  407   3HB   ALA  53          3HB       ALA  53   5.788   3.928   5.434
  408    H    LYS  54           H        LYS  54   6.985   7.268   5.401
  409    HA   LYS  54           HA       LYS  54   6.330   9.552   3.899
  410   1HB   LYS  54          2HB       LYS  54   8.463   8.684   5.565
  411   2HB   LYS  54          1HB       LYS  54   9.165   9.279   4.069
  412   1HG   LYS  54          2HG       LYS  54   7.076  10.988   5.223
  413   2HG   LYS  54          1HG       LYS  54   8.539  10.827   6.192
  414   1HD   LYS  54          2HD       LYS  54   9.861  11.843   4.616
  415   2HD   LYS  54          1HD       LYS  54   8.814  11.369   3.277
  416   1HE   LYS  54          2HE       LYS  54   7.559  13.220   3.448
  417   2HE   LYS  54          1HE       LYS  54   7.543  13.158   5.210
  418   1HZ   LYS  54          2HZ       LYS  54   9.904  14.059   3.669
  419   2HZ   LYS  54          1HZ       LYS  54   8.693  15.122   4.184
  420   3HZ   LYS  54          3HZ       LYS  54   9.603  14.258   5.321
  421    H    GLY  55           H        GLY  55   7.149   6.502   2.801
  422   1HA   GLY  55          1HA       GLY  55   8.674   7.342   0.490
  423   2HA   GLY  55          2HA       GLY  55   6.998   6.936   0.143
  424    H    ARG  56           H        ARG  56   7.233   4.937   2.478
  425    HA   ARG  56           HA       ARG  56   8.912   2.918   1.184
  426   1HB   ARG  56          2HB       ARG  56   9.154   1.925   3.213
  427   2HB   ARG  56          1HB       ARG  56   8.739   3.534   3.787
  428   1HG   ARG  56          2HG       ARG  56   6.514   2.903   4.253
  429   2HG   ARG  56          1HG       ARG  56   6.680   1.390   3.359
  430   1HD   ARG  56          2HD       ARG  56   6.846   0.721   5.581
  431   2HD   ARG  56          1HD       ARG  56   8.526   0.834   5.058
  432    HE   ARG  56           HE       ARG  56   7.215   3.006   6.555
  433   1HH1  ARG  56          1HH1      ARG  56   9.845   0.772   6.076
  434   2HH1  ARG  56          2HH1      ARG  56  10.817   1.444   7.341
  435   1HH2  ARG  56          1HH2      ARG  56   8.487   3.899   8.224
  436   2HH2  ARG  56          2HH2      ARG  56  10.045   3.222   8.564
  437    H    VAL  57           H        VAL  57   8.115   1.130   0.219
  438    HA   VAL  57           HA       VAL  57   5.201   0.713   0.323
  439    HB   VAL  57           HB       VAL  57   5.283   1.474  -1.818
  440   1HG1  VAL  57          3HG1      VAL  57   8.150   0.671  -1.733
  441   2HG1  VAL  57          2HG1      VAL  57   7.371   0.938  -3.293
  442   3HG1  VAL  57          1HG1      VAL  57   7.428   2.237  -2.101
  443   1HG2  VAL  57          3HG2      VAL  57   5.543  -1.393  -1.684
  444   2HG2  VAL  57          2HG2      VAL  57   4.522  -0.407  -2.728
  445   3HG2  VAL  57          1HG2      VAL  57   6.179  -0.774  -3.206
  446    H    GLY  58           H        GLY  58   4.667  -1.237   1.032
  447   1HA   GLY  58          2HA       GLY  58   5.690  -3.236   2.128
  448   2HA   GLY  58          1HA       GLY  58   6.593  -3.443   0.635
  449    H    TYR  59           H        TYR  59   5.187  -5.556   1.496
  450    HA   TYR  59           HA       TYR  59   2.756  -5.558  -0.169
  451   1HB   TYR  59          2HB       TYR  59   4.280  -8.093   0.087
  452   2HB   TYR  59          1HB       TYR  59   3.368  -7.457  -1.281
  453    HD1  TYR  59           HD1      TYR  59   4.529  -5.036  -2.065
  454    HD2  TYR  59           HD2      TYR  59   6.499  -8.426  -0.412
  455    HE1  TYR  59           HE1      TYR  59   6.625  -4.337  -3.144
  456    HE2  TYR  59           HE2      TYR  59   8.600  -7.735  -1.485
  457    HH   TYR  59           HH       TYR  59   9.536  -6.336  -2.973
  458    HA   PRO  60           HA       PRO  60   1.576  -6.768   4.139
  459   1HB   PRO  60          2HB       PRO  60  -1.011  -5.746   3.147
  460   2HB   PRO  60          1HB       PRO  60  -0.138  -5.345   4.627
  461   1HG   PRO  60          2HG       PRO  60  -0.299  -3.628   2.570
  462   2HG   PRO  60          1HG       PRO  60   1.143  -3.733   3.593
  463   1HD   PRO  60          2HD       PRO  60   0.686  -4.798   0.843
  464   2HD   PRO  60          1HD       PRO  60   2.155  -4.102   1.557
  465    H    ILE  61           H        ILE  61   1.534  -8.963   3.983
  466    HA   ILE  61           HA       ILE  61  -0.842 -10.144   2.706
  467    HB   ILE  61           HB       ILE  61   1.902 -11.407   2.699
  468   1HG1  ILE  61          1HG1      ILE  61   1.784  -9.410   1.232
  469   2HG1  ILE  61          2HG1      ILE  61   1.992 -10.904   0.322
  470   1HG2  ILE  61          2HG2      ILE  61  -0.241 -12.829   2.697
  471   2HG2  ILE  61          1HG2      ILE  61  -0.455 -12.239   1.048
  472   3HG2  ILE  61          3HG2      ILE  61   0.986 -13.161   1.475
  473   1HD1  ILE  61          3HD1      ILE  61  -0.673 -10.734   0.271
  474   2HD1  ILE  61          2HD1      ILE  61  -0.269  -9.021   0.385
  475   3HD1  ILE  61          1HD1      ILE  61   0.371  -9.991  -0.940
  476    H    VAL  62           H        VAL  62  -2.055 -10.943   4.298
  477    HA   VAL  62           HA       VAL  62  -1.035 -11.630   6.863
  478    HB   VAL  62           HB       VAL  62  -3.639 -12.792   6.158
  479   1HG1  VAL  62          1HG1      VAL  62  -2.563 -12.380   8.457
  480   2HG1  VAL  62          3HG1      VAL  62  -3.061 -10.703   8.230
  481   3HG1  VAL  62          2HG1      VAL  62  -4.270 -11.987   8.253
  482   1HG2  VAL  62          2HG2      VAL  62  -3.113  -9.856   5.789
  483   2HG2  VAL  62          1HG2      VAL  62  -3.901 -10.978   4.680
  484   3HG2  VAL  62          3HG2      VAL  62  -4.715 -10.491   6.166
  485    H    LYS  63           H        LYS  63  -1.238 -13.310   3.914
  486    HA   LYS  63           HA       LYS  63  -1.022 -15.918   5.249
  487   1HB   LYS  63          2HB       LYS  63  -1.969 -15.023   2.577
  488   2HB   LYS  63          1HB       LYS  63  -1.174 -16.588   2.659
  489   1HG   LYS  63          2HG       LYS  63  -3.126 -16.301   4.765
  490   2HG   LYS  63          1HG       LYS  63  -3.845 -16.032   3.175
  491   1HD   LYS  63          2HD       LYS  63  -2.965 -18.159   2.393
  492   2HD   LYS  63          1HD       LYS  63  -2.176 -18.422   3.948
  493   1HE   LYS  63          2HE       LYS  63  -4.973 -17.856   4.316
  494   2HE   LYS  63          1HE       LYS  63  -4.756 -19.195   3.191
  495   1HZ   LYS  63          1HZ       LYS  63  -3.011 -19.517   5.377
  496   2HZ   LYS  63          3HZ       LYS  63  -4.579 -19.260   5.960
  497   3HZ   LYS  63          2HZ       LYS  63  -4.276 -20.522   4.876
  498    HA   PRO  64           HA       PRO  64   3.231 -16.615   4.388
  499   1HB   PRO  64          2HB       PRO  64   2.522 -18.913   2.646
  500   2HB   PRO  64          1HB       PRO  64   3.575 -18.856   4.061
  501   1HG   PRO  64          2HG       PRO  64   1.139 -19.951   4.183
  502   2HG   PRO  64          1HG       PRO  64   1.816 -19.042   5.544
  503   1HD   PRO  64          2HD       PRO  64  -0.274 -18.238   3.579
  504   2HD   PRO  64          1HD       PRO  64  -0.113 -17.819   5.297
  505    H    GLY  65           H        GLY  65   1.017 -16.012   1.891
  506   1HA   GLY  65          2HA       GLY  65   3.084 -14.867   0.238
  507   2HA   GLY  65          1HA       GLY  65   1.353 -14.814  -0.065
  508    HA   PRO  66           HA       PRO  66   1.849 -18.344  -2.733
  509   1HB   PRO  66          2HB       PRO  66   0.501 -17.392  -4.824
  510   2HB   PRO  66          1HB       PRO  66  -0.320 -17.756  -3.307
  511   1HG   PRO  66          2HG       PRO  66   0.421 -15.129  -4.474
  512   2HG   PRO  66          1HG       PRO  66  -0.955 -15.553  -3.442
  513   1HD   PRO  66          1HD       PRO  66   1.491 -14.358  -2.634
  514   2HD   PRO  66          2HD       PRO  66   0.192 -14.953  -1.587
  515    H    ASN  67           H        ASN  67   1.964 -15.372  -4.652
  516    HA   ASN  67           HA       ASN  67   4.585 -16.211  -5.707
  517   1HB   ASN  67          2HB       ASN  67   3.552 -14.676  -7.712
  518   2HB   ASN  67          1HB       ASN  67   3.468 -16.434  -7.657
  519   1HD2  ASN  67          2HD2      ASN  67   1.723 -13.721  -6.174
  520   2HD2  ASN  67          1HD2      ASN  67   0.143 -14.317  -6.543
  521    H    CYS  68           H        CYS  68   2.638 -13.692  -4.392
  522    HA   CYS  68           HA       CYS  68   4.672 -11.668  -4.981
  523   1HB   CYS  68          2HB       CYS  68   2.586 -10.498  -3.503
  524   2HB   CYS  68          1HB       CYS  68   2.891 -10.340  -5.230
  525    H    GLY  69           H        GLY  69   4.485 -13.961  -2.823
  526   1HA   GLY  69          1HA       GLY  69   4.438 -13.692  -0.332
  527   2HA   GLY  69          2HA       GLY  69   5.384 -12.234  -0.599
  528    H    PHE  70           H        PHE  70   5.746 -15.331  -2.251
  529    HA   PHE  70           HA       PHE  70   7.510 -16.750  -2.456
  530   1HB   PHE  70          2HB       PHE  70   8.646 -14.164  -2.289
  531   2HB   PHE  70          1HB       PHE  70   9.637 -15.219  -1.287
  532    HD1  PHE  70           HD1      PHE  70   8.032 -15.172  -4.652
  533    HD2  PHE  70           HD2      PHE  70  11.362 -16.355  -2.281
  534    HE1  PHE  70           HE1      PHE  70   9.161 -16.020  -6.668
  535    HE2  PHE  70           HE2      PHE  70  12.497 -17.205  -4.291
  536    HZ   PHE  70           HZ       PHE  70  11.397 -17.038  -6.489
  537    H    GLY  71           H        GLY  71   5.937 -17.003  -0.179
  538   1HA   GLY  71          1HA       GLY  71   7.743 -18.462   1.521
  539   2HA   GLY  71          2HA       GLY  71   5.997 -18.342   1.708
  540    H    LYS  72           H        LYS  72   6.456 -15.287   1.516
  541    HA   LYS  72           HA       LYS  72   7.688 -14.797   4.113
  542   1HB   LYS  72          2HB       LYS  72   6.780 -13.021   1.865
  543   2HB   LYS  72          1HB       LYS  72   7.138 -12.357   3.454
  544   1HG   LYS  72          2HG       LYS  72   9.323 -13.968   2.864
  545   2HG   LYS  72          1HG       LYS  72   8.933 -13.162   1.344
  546   1HD   LYS  72          2HD       LYS  72   8.767 -11.036   2.864
  547   2HD   LYS  72          1HD       LYS  72   9.776 -11.987   3.955
  548   1HE   LYS  72          2HE       LYS  72  10.407 -11.310   1.084
  549   2HE   LYS  72          1HE       LYS  72  11.138 -10.574   2.508
  550   1HZ   LYS  72          3HZ       LYS  72  11.301 -13.453   2.445
  551   2HZ   LYS  72          2HZ       LYS  72  12.143 -12.691   1.191
  552   3HZ   LYS  72          1HZ       LYS  72  12.496 -12.308   2.800
  553    H    THR  73           H        THR  73   6.611 -13.574   5.759
  554    HA   THR  73           HA       THR  73   3.674 -13.734   5.641
  555    HB   THR  73           HB       THR  73   4.178 -13.989   8.303
  556    HG1  THR  73           HG1      THR  73   6.059 -15.705   7.045
  557   1HG2  THR  73          1HG2      THR  73   3.893 -16.210   6.278
  558   2HG2  THR  73          3HG2      THR  73   3.592 -16.364   8.009
  559   3HG2  THR  73          2HG2      THR  73   2.576 -15.307   7.026
  560    H    GLY  74           H        GLY  74   2.610 -11.936   6.218
  561   1HA   GLY  74          2HA       GLY  74   3.892  -9.956   7.934
  562   2HA   GLY  74          1HA       GLY  74   2.214  -9.948   7.403
  563    H    ILE  75           H        ILE  75   3.330  -7.584   7.267
  564    HA   ILE  75           HA       ILE  75   3.313  -6.974   4.489
  565    HB   ILE  75           HB       ILE  75   4.155  -5.146   6.738
  566   1HG1  ILE  75          1HG1      ILE  75   1.478  -6.088   5.818
  567   2HG1  ILE  75          2HG1      ILE  75   2.032  -5.701   7.443
  568   1HG2  ILE  75          3HG2      ILE  75   4.238  -4.785   3.998
  569   2HG2  ILE  75          2HG2      ILE  75   2.741  -3.990   4.484
  570   3HG2  ILE  75          1HG2      ILE  75   4.271  -3.516   5.224
  571   1HD1  ILE  75          3HD1      ILE  75   1.943  -3.315   6.877
  572   2HD1  ILE  75          2HD1      ILE  75   1.317  -3.738   5.283
  573   3HD1  ILE  75          1HD1      ILE  75   0.377  -4.111   6.728
  574    H    ILE  76           H        ILE  76   4.949  -7.428   3.193
  575    HA   ILE  76           HA       ILE  76   7.679  -7.442   4.198
  576    HB   ILE  76           HB       ILE  76   6.708  -8.079   1.410
  577   1HG1  ILE  76          2HG1      ILE  76   5.664  -9.740   2.651
  578   2HG1  ILE  76          1HG1      ILE  76   7.221 -10.488   2.309
  579   1HG2  ILE  76          3HG2      ILE  76   9.276  -7.647   2.381
  580   2HG2  ILE  76          2HG2      ILE  76   9.115  -9.402   2.298
  581   3HG2  ILE  76          1HG2      ILE  76   8.834  -8.422   0.860
  582   1HD1  ILE  76          2HD1      ILE  76   8.002  -9.737   4.540
  583   2HD1  ILE  76          1HD1      ILE  76   6.364  -9.170   4.869
  584   3HD1  ILE  76          3HD1      ILE  76   6.666 -10.886   4.589
  585    H    ASP  77           H        ASP  77   7.777  -5.137   4.567
  586    HA   ASP  77           HA       ASP  77   7.925  -3.498   2.138
  587   1HB   ASP  77          2HB       ASP  77   6.614  -2.901   4.365
  588   2HB   ASP  77          1HB       ASP  77   8.198  -2.321   4.868
  589    H    TYR  78           H        TYR  78   9.838  -3.029   1.294
  590    HA   TYR  78           HA       TYR  78  12.258  -3.715   2.708
  591   1HB   TYR  78          2HB       TYR  78  11.752  -2.637  -0.070
  592   2HB   TYR  78          1HB       TYR  78  13.345  -3.043   0.553
  593    HD1  TYR  78           HD1      TYR  78  10.001  -4.718   0.561
  594    HD2  TYR  78           HD2      TYR  78  14.154  -5.020  -0.307
  595    HE1  TYR  78           HE1      TYR  78   9.675  -7.049  -0.147
  596    HE2  TYR  78           HE2      TYR  78  13.841  -7.353  -1.020
  597    HH   TYR  78           HH       TYR  78  10.636  -8.886  -0.935
  598    H    GLY  79           H        GLY  79  10.327  -1.134   2.912
  599   1HA   GLY  79          2HA       GLY  79  12.446   0.560   3.904
  600   2HA   GLY  79          1HA       GLY  79  10.717   0.906   3.951
  601    H    ILE  80           H        ILE  80  11.764   3.077   3.363
  602    HA   ILE  80           HA       ILE  80  11.133   3.656   0.672
  603    HB   ILE  80           HB       ILE  80  12.785   5.417   2.474
  604   1HG1  ILE  80          1HG1      ILE  80   9.807   5.626   2.365
  605   2HG1  ILE  80          2HG1      ILE  80  10.520   4.385   3.388
  606   1HG2  ILE  80          1HG2      ILE  80  12.550   6.090   0.116
  607   2HG2  ILE  80          3HG2      ILE  80  10.796   6.085   0.309
  608   3HG2  ILE  80          2HG2      ILE  80  11.782   7.227   1.224
  609   1HD1  ILE  80          2HD1      ILE  80  11.557   7.148   3.640
  610   2HD1  ILE  80          1HD1      ILE  80   9.960   6.790   4.297
  611   3HD1  ILE  80          3HD1      ILE  80  11.366   5.889   4.862
  612    H    ARG  81           H        ARG  81  12.310   3.314  -1.088
  613    HA   ARG  81           HA       ARG  81  15.238   3.158  -0.810
  614   1HB   ARG  81          2HB       ARG  81  13.335   1.772  -2.688
  615   2HB   ARG  81          1HB       ARG  81  15.060   1.860  -3.014
  616   1HG   ARG  81          2HG       ARG  81  13.881   0.694  -0.503
  617   2HG   ARG  81          1HG       ARG  81  14.317  -0.251  -1.929
  618   1HD   ARG  81          2HD       ARG  81  16.573   0.064  -1.617
  619   2HD   ARG  81          1HD       ARG  81  16.348   1.567  -0.726
  620    HE   ARG  81           HE       ARG  81  15.714   0.254   1.194
  621   1HH1  ARG  81          2HH1      ARG  81  17.134  -1.502  -1.457
  622   2HH1  ARG  81          1HH1      ARG  81  17.611  -2.850  -0.478
  623   1HH2  ARG  81          1HH2      ARG  81  16.338  -1.515   2.492
  624   2HH2  ARG  81          2HH2      ARG  81  17.158  -2.856   1.767
  625    H    LEU  82           H        LEU  82  13.614   5.581  -1.209
  626    HA   LEU  82           HA       LEU  82  13.572   7.475  -2.472
  627   1HB   LEU  82          2HB       LEU  82  16.174   6.672  -2.219
  628   2HB   LEU  82          1HB       LEU  82  16.023   6.853  -3.954
  629    HG   LEU  82           HG       LEU  82  16.888   8.893  -2.975
  630   1HD1  LEU  82          3HD1      LEU  82  14.072   9.047  -4.013
  631   2HD1  LEU  82          2HD1      LEU  82  15.055  10.478  -3.703
  632   3HD1  LEU  82          1HD1      LEU  82  15.580   9.288  -4.894
  633   1HD2  LEU  82          1HD2      LEU  82  14.375   8.866  -1.310
  634   2HD2  LEU  82          3HD2      LEU  82  16.033   8.697  -0.731
  635   3HD2  LEU  82          2HD2      LEU  82  15.494  10.225  -1.428
  636    H    ASN  83           H        ASN  83  12.398   5.015  -3.598
  637    HA   ASN  83           HA       ASN  83  12.616   5.657  -6.465
  638   1HB   ASN  83          2HB       ASN  83  11.758   3.055  -5.180
  639   2HB   ASN  83          1HB       ASN  83  11.853   3.363  -6.913
  640   1HD2  ASN  83          2HD2      ASN  83  14.213   4.751  -7.076
  641   2HD2  ASN  83          1HD2      ASN  83  15.523   3.716  -6.632
  642    H    ARG  84           H        ARG  84  11.032   7.339  -5.139
  643    HA   ARG  84           HA       ARG  84   8.340   6.473  -4.853
  644   1HB   ARG  84          2HB       ARG  84   9.645   9.180  -5.025
  645   2HB   ARG  84          1HB       ARG  84   7.903   9.000  -4.914
  646   1HG   ARG  84          2HG       ARG  84   8.395   9.247  -2.714
  647   2HG   ARG  84          1HG       ARG  84   8.536   7.494  -2.844
  648   1HD   ARG  84          2HD       ARG  84  10.700   7.549  -2.329
  649   2HD   ARG  84          1HD       ARG  84  11.019   8.799  -3.531
  650    HE   ARG  84           HE       ARG  84  10.133   9.324  -0.768
  651   1HH1  ARG  84          1HH1      ARG  84  11.823  10.242  -3.673
  652   2HH1  ARG  84          2HH1      ARG  84  12.452  11.708  -2.998
  653   1HH2  ARG  84          2HH2      ARG  84  10.959  11.253   0.130
  654   2HH2  ARG  84          1HH2      ARG  84  11.962  12.282  -0.838
  655    H    SER  85           H        SER  85  10.099   6.552  -7.543
  656    HA   SER  85           HA       SER  85   7.943   7.589  -9.252
  657   1HB   SER  85          2HB       SER  85  10.895   7.439  -9.533
  658   2HB   SER  85          1HB       SER  85   9.950   7.182 -10.999
  659    HG   SER  85           HG       SER  85   8.813   9.216 -10.080
  660    H    GLU  86           H        GLU  86   8.681   4.806  -7.888
  661    HA   GLU  86           HA       GLU  86   8.789   2.993 -10.088
  662   1HB   GLU  86          2HB       GLU  86   8.475   2.779  -7.139
  663   2HB   GLU  86          1HB       GLU  86   7.926   1.417  -8.106
  664   1HG   GLU  86          2HG       GLU  86  10.617   2.503  -8.692
  665   2HG   GLU  86          1HG       GLU  86  10.405   1.616  -7.182
  666    H    ARG  87           H        ARG  87   6.926   1.077  -9.666
  667    HA   ARG  87           HA       ARG  87   4.337   2.446  -9.882
  668   1HB   ARG  87          2HB       ARG  87   4.958   0.135 -11.678
  669   2HB   ARG  87          1HB       ARG  87   3.744   1.392 -11.856
  670   1HG   ARG  87          2HG       ARG  87   5.588   3.017 -12.271
  671   2HG   ARG  87          1HG       ARG  87   6.713   1.658 -12.265
  672   1HD   ARG  87          2HD       ARG  87   6.170   2.142 -14.537
  673   2HD   ARG  87          1HD       ARG  87   5.369   0.633 -14.101
  674    HE   ARG  87           HE       ARG  87   3.352   1.650 -14.446
  675   1HH1  ARG  87          2HH1      ARG  87   5.812   4.094 -14.131
  676   2HH1  ARG  87          1HH1      ARG  87   4.755   5.398 -14.562
  677   1HH2  ARG  87          1HH2      ARG  87   1.951   3.357 -15.016
  678   2HH2  ARG  87          2HH2      ARG  87   2.559   4.979 -15.066
  679    H    TRP  88           H        TRP  88   3.098   1.716  -8.347
  680    HA   TRP  88           HA       TRP  88   2.634  -1.122  -8.015
  681   1HB   TRP  88          2HB       TRP  88   3.255   0.377  -5.492
  682   2HB   TRP  88          1HB       TRP  88   3.264  -1.358  -5.784
  683    HD1  TRP  88           HD1      TRP  88   5.507   1.634  -5.699
  684    HE1  TRP  88           HE1      TRP  88   7.915   0.931  -6.282
  685    HE3  TRP  88           HE3      TRP  88   4.588  -3.111  -7.364
  686    HZ2  TRP  88           HZ2      TRP  88   9.247  -1.336  -7.312
  687    HZ3  TRP  88           HZ3      TRP  88   6.482  -4.482  -8.128
  688    HH2  TRP  88           HH2      TRP  88   8.763  -3.611  -8.102
  689    H    ASP  89           H        ASP  89   1.109  -1.144  -5.785
  690    HA   ASP  89           HA       ASP  89  -1.204   0.358  -6.623
  691   1HB   ASP  89          2HB       ASP  89  -1.090  -1.309  -4.130
  692   2HB   ASP  89          1HB       ASP  89  -2.436  -1.046  -5.231
  693    H    ALA  90           H        ALA  90  -2.532   0.961  -4.345
  694    HA   ALA  90           HA       ALA  90  -0.778   2.600  -2.683
  695   1HB   ALA  90          2HB       ALA  90  -1.353   4.093  -4.495
  696   2HB   ALA  90          3HB       ALA  90  -2.186   4.600  -3.025
  697   3HB   ALA  90          1HB       ALA  90  -3.068   3.737  -4.284
  698    H    TYR  91           H        TYR  91  -1.500   2.799  -0.604
  699    HA   TYR  91           HA       TYR  91  -4.071   1.528   0.019
  700   1HB   TYR  91          2HB       TYR  91  -1.524   1.918   1.566
  701   2HB   TYR  91          1HB       TYR  91  -3.036   1.603   2.402
  702    HD1  TYR  91           HD1      TYR  91  -4.356  -0.535   1.613
  703    HD2  TYR  91           HD2      TYR  91  -0.218   0.146   0.871
  704    HE1  TYR  91           HE1      TYR  91  -4.024  -2.943   1.271
  705    HE2  TYR  91           HE2      TYR  91   0.120  -2.264   0.530
  706    HH   TYR  91           HH       TYR  91  -1.796  -4.300  -0.247
  707    H    CYS  92           H        CYS  92  -5.715   2.740   0.760
  708    HA   CYS  92           HA       CYS  92  -5.176   5.563   1.331
  709   1HB   CYS  92          2HB       CYS  92  -7.355   4.106   0.073
  710   2HB   CYS  92          1HB       CYS  92  -7.935   5.216   1.309
  711    H    TYR  93           H        TYR  93  -6.412   6.613   3.049
  712    HA   TYR  93           HA       TYR  93  -7.353   4.936   5.217
  713   1HB   TYR  93          2HB       TYR  93  -4.870   5.118   5.524
  714   2HB   TYR  93          1HB       TYR  93  -5.065   6.860   5.674
  715    HD1  TYR  93           HD1      TYR  93  -6.532   7.742   7.551
  716    HD2  TYR  93           HD2      TYR  93  -5.159   3.717   7.394
  717    HE1  TYR  93           HE1      TYR  93  -6.977   7.507   9.955
  718    HE2  TYR  93           HE2      TYR  93  -5.601   3.469   9.803
  719    HH   TYR  93           HH       TYR  93  -5.832   4.877  11.789
  720    H    ASN  94           H        ASN  94  -9.149   5.852   5.918
  721    HA   ASN  94           HA       ASN  94  -9.259   8.748   6.276
  722   1HB   ASN  94          2HB       ASN  94 -11.002   7.150   4.443
  723   2HB   ASN  94          1HB       ASN  94 -11.707   8.511   5.311
  724   1HD2  ASN  94          2HD2      ASN  94 -11.944   9.005   2.893
  725   2HD2  ASN  94          1HD2      ASN  94 -10.703   9.996   2.211
  726    HA   PRO  95           HA       PRO  95 -11.176   7.744  10.110
  727   1HB   PRO  95          2HB       PRO  95 -13.041   9.802  10.208
  728   2HB   PRO  95          1HB       PRO  95 -11.359   9.925  10.736
  729   1HG   PRO  95          2HG       PRO  95 -12.614  10.780   8.165
  730   2HG   PRO  95          1HG       PRO  95 -11.333  11.566   9.107
  731   1HD   PRO  95          1HD       PRO  95 -10.791  10.180   6.875
  732   2HD   PRO  95          2HD       PRO  95  -9.687  10.173   8.266
  733    H    HIS  96           H        HIS  96 -13.495   8.893   7.664
  734    HA   HIS  96           HA       HIS  96 -15.394   6.843   8.558
  735   1HB   HIS  96          2HB       HIS  96 -17.121   8.132   7.564
  736   2HB   HIS  96          1HB       HIS  96 -16.077   9.291   8.381
  737    HD1  HIS  96           HD1      HIS  96 -14.131  10.300   6.613
  738    HD2  HIS  96           HD2      HIS  96 -17.735   8.931   5.063
  739    HE1  HIS  96           HE1      HIS  96 -14.335  11.365   4.345
  740    HE2  HIS  96           HE2      HIS  96 -16.478  10.447   3.388
  741    H    ALA  97           H        ALA  97 -13.431   7.858   5.880
  742    HA   ALA  97           HA       ALA  97 -13.399   7.133   3.660
  743   1HB   ALA  97          2HB       ALA  97 -11.654   5.831   4.216
  744   2HB   ALA  97          3HB       ALA  97 -12.791   4.507   3.964
  745   3HB   ALA  97          1HB       ALA  97 -12.496   5.117   5.593
  746    H    LYS  98           H        LYS  98 -15.855   7.464   3.552
  747    HA   LYS  98           HA       LYS  98 -17.419   5.029   3.474
  748   1HB   LYS  98          2HB       LYS  98 -18.427   7.122   4.274
  749   2HB   LYS  98          1HB       LYS  98 -18.151   7.860   2.702
  750   1HG   LYS  98          2HG       LYS  98 -19.985   6.945   1.830
  751   2HG   LYS  98          1HG       LYS  98 -19.634   5.364   2.531
  752   1HD   LYS  98          2HD       LYS  98 -20.325   6.803   4.740
  753   2HD   LYS  98          1HD       LYS  98 -21.366   7.520   3.509
  754   1HE   LYS  98          2HE       LYS  98 -21.337   4.652   3.267
  755   2HE   LYS  98          1HE       LYS  98 -21.777   5.131   4.906
  756   1HZ   LYS  98          3HZ       LYS  98 -23.131   6.760   3.046
  757   2HZ   LYS  98          2HZ       LYS  98 -23.393   5.136   2.653
  758   3HZ   LYS  98          1HZ       LYS  98 -23.778   5.705   4.199

  No H/Q in entry =         758
  Start of MODEL    7
    1    H1   GLY   1          1H        GLY   1 -12.644   3.530   6.243
    2    H2   GLY   1          3H        GLY   1 -13.331   2.808   7.610
    3    H3   GLY   1          2H        GLY   1 -12.838   4.425   7.665
    4   1HA   GLY   1          2HA       GLY   1 -11.334   2.072   8.171
    5   2HA   GLY   1          1HA       GLY   1 -10.911   3.747   8.490
    6    H    VAL   2           H        VAL   2  -9.139   1.687   7.591
    7    HA   VAL   2           HA       VAL   2  -8.137   3.011   5.195
    8    HB   VAL   2           HB       VAL   2  -6.451   2.785   6.812
    9   1HG1  VAL   2          1HG1      VAL   2  -7.919   0.663   7.762
   10   2HG1  VAL   2          3HG1      VAL   2  -6.434  -0.099   7.189
   11   3HG1  VAL   2          2HG1      VAL   2  -6.356   1.202   8.379
   12   1HG2  VAL   2          2HG2      VAL   2  -6.271   0.789   4.608
   13   2HG2  VAL   2          1HG2      VAL   2  -5.368   2.284   4.852
   14   3HG2  VAL   2          3HG2      VAL   2  -4.987   0.857   5.815
   15    H    TYR   3           H        TYR   3  -7.777   2.011   3.252
   16    HA   TYR   3           HA       TYR   3  -8.379  -0.826   2.975
   17   1HB   TYR   3          2HB       TYR   3  -9.923  -0.400   1.077
   18   2HB   TYR   3          1HB       TYR   3 -10.546   0.198   2.611
   19    HD1  TYR   3           HD1      TYR   3 -10.350   2.681   3.105
   20    HD2  TYR   3           HD2      TYR   3  -9.668   1.042  -0.761
   21    HE1  TYR   3           HE1      TYR   3 -10.677   4.908   2.111
   22    HE2  TYR   3           HE2      TYR   3  -9.992   3.263  -1.767
   23    HH   TYR   3           HH       TYR   3  -9.682   5.857  -0.638
   24    H    HIS   4           H        HIS   4  -8.254  -1.251   0.382
   25    HA   HIS   4           HA       HIS   4  -5.688  -0.059  -0.436
   26   1HB   HIS   4          2HB       HIS   4  -5.318  -2.364  -0.031
   27   2HB   HIS   4          1HB       HIS   4  -6.808  -2.826  -0.847
   28    HD1  HIS   4           HD1      HIS   4  -6.784  -2.817  -3.454
   29    HD2  HIS   4           HD2      HIS   4  -3.111  -2.021  -1.685
   30    HE1  HIS   4           HE1      HIS   4  -5.087  -3.060  -5.293
   31    HE2  HIS   4           HE2      HIS   4  -2.862  -2.683  -4.173
   32    H    ARG   5           H        ARG   5  -5.326   0.263  -2.697
   33    HA   ARG   5           HA       ARG   5  -7.571   0.121  -4.512
   34   1HB   ARG   5          2HB       ARG   5  -7.761   2.284  -3.149
   35   2HB   ARG   5          1HB       ARG   5  -6.333   2.819  -4.021
   36   1HG   ARG   5          2HG       ARG   5  -8.173   3.725  -5.171
   37   2HG   ARG   5          1HG       ARG   5  -7.618   2.365  -6.149
   38   1HD   ARG   5          2HD       ARG   5  -9.785   1.773  -6.144
   39   2HD   ARG   5          1HD       ARG   5  -9.421   1.138  -4.541
   40    HE   ARG   5           HE       ARG   5 -10.206   3.393  -3.721
   41   1HH1  ARG   5          1HH1      ARG   5 -11.359   1.978  -6.688
   42   2HH1  ARG   5          2HH1      ARG   5 -12.877   2.809  -6.647
   43   1HH2  ARG   5          1HH2      ARG   5 -12.204   4.493  -3.657
   44   2HH2  ARG   5          2HH2      ARG   5 -13.358   4.239  -4.924
   45    H    GLU   6           H        GLU   6  -6.952   0.881  -6.719
   46    HA   GLU   6           HA       GLU   6  -4.053   0.595  -7.167
   47   1HB   GLU   6          2HB       GLU   6  -4.481  -0.675  -9.165
   48   2HB   GLU   6          1HB       GLU   6  -5.341  -1.432  -7.831
   49   1HG   GLU   6          2HG       GLU   6  -6.596   0.427  -9.836
   50   2HG   GLU   6          1HG       GLU   6  -6.638  -1.333  -9.932
   51    H    ALA   7           H        ALA   7  -3.916   1.084  -9.830
   52    HA   ALA   7           HA       ALA   7  -4.519   3.931  -9.924
   53   1HB   ALA   7          3HB       ALA   7  -2.577   4.067 -10.987
   54   2HB   ALA   7          2HB       ALA   7  -2.402   2.317 -10.861
   55   3HB   ALA   7          1HB       ALA   7  -3.181   3.026 -12.275
   56    H    ARG   8           H        ARG   8  -5.619   4.936 -11.638
   57    HA   ARG   8           HA       ARG   8  -7.924   3.632 -12.547
   58   1HB   ARG   8          2HB       ARG   8  -6.565   6.205 -13.260
   59   2HB   ARG   8          1HB       ARG   8  -7.929   5.649 -14.221
   60   1HG   ARG   8          2HG       ARG   8  -8.193   5.778 -11.256
   61   2HG   ARG   8          1HG       ARG   8  -8.290   7.263 -12.205
   62   1HD   ARG   8          2HD       ARG   8 -10.121   6.374 -13.494
   63   2HD   ARG   8          1HD       ARG   8  -9.971   4.809 -12.697
   64    HE   ARG   8           HE       ARG   8 -10.453   6.984 -10.882
   65   1HH1  ARG   8          1HH1      ARG   8 -11.924   4.635 -12.989
   66   2HH1  ARG   8          2HH1      ARG   8 -13.442   4.646 -12.156
   67   1HH2  ARG   8          1HH2      ARG   8 -12.449   7.007  -9.776
   68   2HH2  ARG   8          2HH2      ARG   8 -13.741   5.995 -10.330
   69    H    SER   9           H        SER   9  -4.735   3.531 -13.710
   70    HA   SER   9           HA       SER   9  -5.566   2.672 -16.382
   71   1HB   SER   9          2HB       SER   9  -3.108   3.820 -15.229
   72   2HB   SER   9          1HB       SER   9  -2.839   2.539 -16.411
   73    HG   SER   9           HG       SER   9  -4.370   4.899 -16.790
   74    H    GLY  10           H        GLY  10  -4.331   1.468 -13.379
   75   1HA   GLY  10          2HA       GLY  10  -3.598  -1.105 -14.553
   76   2HA   GLY  10          1HA       GLY  10  -4.990  -1.092 -13.478
   77    H    LYS  11           H        LYS  11  -3.558  -2.667 -12.343
   78    HA   LYS  11           HA       LYS  11  -2.489  -1.513 -10.017
   79   1HB   LYS  11          2HB       LYS  11  -3.333  -3.717  -9.851
   80   2HB   LYS  11          1HB       LYS  11  -2.339  -4.284 -11.186
   81   1HG   LYS  11          2HG       LYS  11  -0.403  -4.324  -9.890
   82   2HG   LYS  11          1HG       LYS  11  -1.099  -3.277  -8.651
   83   1HD   LYS  11          2HD       LYS  11  -1.950  -5.014  -7.542
   84   2HD   LYS  11          1HD       LYS  11  -2.653  -5.695  -9.011
   85   1HE   LYS  11          2HE       LYS  11   0.230  -5.981  -8.174
   86   2HE   LYS  11          1HE       LYS  11  -1.019  -7.202  -7.934
   87   1HZ   LYS  11          2HZ       LYS  11  -1.340  -7.083 -10.427
   88   2HZ   LYS  11          1HZ       LYS  11   0.124  -6.235 -10.485
   89   3HZ   LYS  11          3HZ       LYS  11   0.085  -7.817  -9.884
   90    H    TYR  12           H        TYR  12  -0.322  -1.532  -9.223
   91    HA   TYR  12           HA       TYR  12   1.885  -1.006  -9.354
   92   1HB   TYR  12          2HB       TYR  12   1.650  -3.047 -11.558
   93   2HB   TYR  12          1HB       TYR  12   3.192  -2.310 -11.134
   94    HD1  TYR  12           HD1      TYR  12   1.216  -2.556  -8.237
   95    HD2  TYR  12           HD2      TYR  12   3.634  -4.895 -10.843
   96    HE1  TYR  12           HE1      TYR  12   1.518  -4.221  -6.454
   97    HE2  TYR  12           HE2      TYR  12   3.943  -6.566  -9.066
   98    HH   TYR  12           HH       TYR  12   3.806  -6.794  -6.708
   99    H    LYS  13           H        LYS  13   0.422   0.979 -10.321
  100    HA   LYS  13           HA       LYS  13   2.056   2.002 -12.510
  101   1HB   LYS  13          2HB       LYS  13  -0.839   1.458 -12.589
  102   2HB   LYS  13          1HB       LYS  13  -0.365   3.048 -13.164
  103   1HG   LYS  13          2HG       LYS  13   1.431   1.525 -14.466
  104   2HG   LYS  13          1HG       LYS  13   0.085   0.390 -14.342
  105   1HD   LYS  13          2HD       LYS  13  -1.143   2.735 -15.100
  106   2HD   LYS  13          1HD       LYS  13   0.376   2.767 -16.000
  107   1HE   LYS  13          2HE       LYS  13  -1.242   0.261 -15.946
  108   2HE   LYS  13          1HE       LYS  13  -1.741   1.587 -16.995
  109   1HZ   LYS  13          1HZ       LYS  13   1.067   0.823 -17.105
  110   2HZ   LYS  13          3HZ       LYS  13  -0.040  -0.279 -17.759
  111   3HZ   LYS  13          2HZ       LYS  13   0.025   1.305 -18.349
  112    H    LEU  14           H        LEU  14   0.940   2.348  -9.478
  113    HA   LEU  14           HA       LEU  14   0.710   5.275  -9.588
  114   1HB   LEU  14          2HB       LEU  14  -0.203   3.180  -7.663
  115   2HB   LEU  14          1HB       LEU  14   0.067   4.812  -7.087
  116    HG   LEU  14           HG       LEU  14  -1.679   4.400  -9.475
  117   1HD1  LEU  14          3HD1      LEU  14  -2.217   2.854  -7.383
  118   2HD1  LEU  14          2HD1      LEU  14  -2.953   4.348  -6.800
  119   3HD1  LEU  14          1HD1      LEU  14  -3.484   3.641  -8.326
  120   1HD2  LEU  14          1HD2      LEU  14  -1.127   6.479  -7.474
  121   2HD2  LEU  14          3HD2      LEU  14  -1.642   6.623  -9.155
  122   3HD2  LEU  14          2HD2      LEU  14  -2.828   6.273  -7.897
  123    H    THR  15           H        THR  15   1.974   6.591  -8.311
  124    HA   THR  15           HA       THR  15   4.392   5.326  -7.192
  125    HB   THR  15           HB       THR  15   5.654   7.275  -7.739
  126    HG1  THR  15           HG1      THR  15   3.152   8.435  -7.903
  127   1HG2  THR  15          1HG2      THR  15   3.978   6.081  -9.863
  128   2HG2  THR  15          3HG2      THR  15   4.838   7.562 -10.285
  129   3HG2  THR  15          2HG2      THR  15   5.733   6.154  -9.711
  130    H    TYR  16           H        TYR  16   5.262   6.266  -5.247
  131    HA   TYR  16           HA       TYR  16   3.602   6.625  -3.169
  132   1HB   TYR  16          2HB       TYR  16   5.968   6.519  -2.783
  133   2HB   TYR  16          1HB       TYR  16   6.231   8.038  -3.635
  134    HD1  TYR  16           HD1      TYR  16   4.467   6.637  -0.660
  135    HD2  TYR  16           HD2      TYR  16   6.344  10.020  -2.437
  136    HE1  TYR  16           HE1      TYR  16   4.251   7.865   1.460
  137    HE2  TYR  16           HE2      TYR  16   6.132  11.256  -0.321
  138    HH   TYR  16           HH       TYR  16   4.667  11.185   1.715
  139    H    ALA  17           H        ALA  17   4.585   9.162  -5.418
  140    HA   ALA  17           HA       ALA  17   3.189  11.246  -4.044
  141   1HB   ALA  17          1HB       ALA  17   5.117  11.738  -5.448
  142   2HB   ALA  17          2HB       ALA  17   3.689  12.600  -6.023
  143   3HB   ALA  17          3HB       ALA  17   4.248  11.156  -6.868
  144    H    GLU  18           H        GLU  18   2.445   9.134  -6.795
  145    HA   GLU  18           HA       GLU  18   0.015  10.438  -7.485
  146   1HB   GLU  18          2HB       GLU  18   1.047   7.656  -8.054
  147   2HB   GLU  18          1HB       GLU  18  -0.424   8.316  -8.747
  148   1HG   GLU  18          2HG       GLU  18   0.899  10.111  -9.788
  149   2HG   GLU  18          1HG       GLU  18   2.363   9.373  -9.143
  150    H    ALA  19           H        ALA  19   0.849   7.602  -5.564
  151    HA   ALA  19           HA       ALA  19  -1.714   6.732  -4.903
  152   1HB   ALA  19          1HB       ALA  19  -0.276   5.161  -4.186
  153   2HB   ALA  19          2HB       ALA  19  -0.254   6.097  -2.692
  154   3HB   ALA  19          3HB       ALA  19   1.010   6.333  -3.901
  155    H    LYS  20           H        LYS  20   0.443   9.012  -3.257
  156    HA   LYS  20           HA       LYS  20  -1.304   9.577  -1.098
  157   1HB   LYS  20          2HB       LYS  20   1.250  10.012  -1.363
  158   2HB   LYS  20          1HB       LYS  20   0.747  11.508  -2.132
  159   1HG   LYS  20          2HG       LYS  20  -0.745  11.533   0.149
  160   2HG   LYS  20          1HG       LYS  20   0.742  10.749   0.689
  161   1HD   LYS  20          2HD       LYS  20   2.008  12.641  -0.368
  162   2HD   LYS  20          1HD       LYS  20   0.459  13.446  -0.624
  163   1HE   LYS  20          2HE       LYS  20   0.079  13.705   1.666
  164   2HE   LYS  20          1HE       LYS  20   1.272  12.480   2.095
  165   1HZ   LYS  20          3HZ       LYS  20   2.488  14.593   0.650
  166   2HZ   LYS  20          2HZ       LYS  20   1.654  15.209   1.987
  167   3HZ   LYS  20          1HZ       LYS  20   2.839  14.022   2.204
  168    H    ALA  21           H        ALA  21  -1.044  10.732  -4.348
  169    HA   ALA  21           HA       ALA  21  -2.464  13.169  -4.011
  170   1HB   ALA  21          2HB       ALA  21  -2.796  12.974  -6.516
  171   2HB   ALA  21          1HB       ALA  21  -1.127  12.990  -5.946
  172   3HB   ALA  21          3HB       ALA  21  -1.882  11.469  -6.420
  173    H    VAL  22           H        VAL  22  -3.421   9.882  -4.873
  174    HA   VAL  22           HA       VAL  22  -6.120  10.456  -5.462
  175    HB   VAL  22           HB       VAL  22  -4.624   7.963  -4.773
  176   1HG1  VAL  22          3HG1      VAL  22  -7.627   8.162  -4.962
  177   2HG1  VAL  22          2HG1      VAL  22  -6.705   6.658  -4.955
  178   3HG1  VAL  22          1HG1      VAL  22  -6.692   7.709  -3.538
  179   1HG2  VAL  22          3HG2      VAL  22  -6.268   8.882  -7.125
  180   2HG2  VAL  22          2HG2      VAL  22  -4.518   8.682  -7.051
  181   3HG2  VAL  22          1HG2      VAL  22  -5.571   7.270  -6.978
  182    H    CYS  23           H        CYS  23  -4.585   9.223  -2.504
  183    HA   CYS  23           HA       CYS  23  -6.982   9.199  -0.990
  184   1HB   CYS  23          2HB       CYS  23  -4.371   8.353  -0.570
  185   2HB   CYS  23          1HB       CYS  23  -4.582   9.647   0.604
  186    H    GLU  24           H        GLU  24  -4.261  11.495  -1.079
  187    HA   GLU  24           HA       GLU  24  -5.551  13.391   0.619
  188   1HB   GLU  24          2HB       GLU  24  -3.018  13.089   0.073
  189   2HB   GLU  24          1HB       GLU  24  -3.370  14.124  -1.304
  190   1HG   GLU  24          2HG       GLU  24  -3.704  15.966  -0.018
  191   2HG   GLU  24          1HG       GLU  24  -4.278  15.034   1.364
  192    H    PHE  25           H        PHE  25  -6.246  12.454  -2.450
  193    HA   PHE  25           HA       PHE  25  -6.698  14.892  -3.799
  194   1HB   PHE  25          2HB       PHE  25  -6.775  12.291  -4.534
  195   2HB   PHE  25          1HB       PHE  25  -8.499  12.614  -4.385
  196    HD1  PHE  25           HD1      PHE  25  -5.405  13.865  -6.004
  197    HD2  PHE  25           HD2      PHE  25  -9.653  13.662  -6.095
  198    HE1  PHE  25           HE1      PHE  25  -5.399  14.898  -8.235
  199    HE2  PHE  25           HE2      PHE  25  -9.658  14.698  -8.330
  200    HZ   PHE  25           HZ       PHE  25  -7.528  15.317  -9.403
  201    H    GLU  26           H        GLU  26  -8.772  12.804  -1.854
  202    HA   GLU  26           HA       GLU  26 -10.722  15.007  -1.688
  203   1HB   GLU  26          2HB       GLU  26 -11.605  12.232  -1.144
  204   2HB   GLU  26          1HB       GLU  26 -12.465  13.555  -1.920
  205   1HG   GLU  26          2HG       GLU  26 -11.017  13.234  -3.917
  206   2HG   GLU  26          1HG       GLU  26 -10.347  11.806  -3.137
  207    H    GLY  27           H        GLY  27  -8.919  15.379   0.087
  208   1HA   GLY  27          1HA       GLY  27 -10.129  15.252   2.563
  209   2HA   GLY  27          2HA       GLY  27  -8.406  15.493   2.318
  210    H    GLY  28           H        GLY  28  -7.417  13.210   1.453
  211   1HA   GLY  28          2HA       GLY  28  -7.975  10.742   1.996
  212   2HA   GLY  28          1HA       GLY  28  -8.036  11.349   3.646
  213    H    HIS  29           H        HIS  29  -6.332   9.654   3.873
  214    HA   HIS  29           HA       HIS  29  -3.694  10.630   3.041
  215   1HB   HIS  29          2HB       HIS  29  -3.341   9.365   5.510
  216   2HB   HIS  29          1HB       HIS  29  -3.247  11.085   5.178
  217    HD1  HIS  29           HD1      HIS  29  -6.135  11.879   4.903
  218    HD2  HIS  29           HD2      HIS  29  -4.783   9.220   7.790
  219    HE1  HIS  29           HE1      HIS  29  -7.864  11.935   6.727
  220    HE2  HIS  29           HE2      HIS  29  -7.071  10.248   8.422
  221    H    LEU  30           H        LEU  30  -2.245   9.078   2.420
  222    HA   LEU  30           HA       LEU  30  -3.311   6.485   1.850
  223   1HB   LEU  30          2HB       LEU  30  -1.720   6.428   0.313
  224   2HB   LEU  30          1HB       LEU  30  -1.258   8.042   0.813
  225    HG   LEU  30           HG       LEU  30   0.091   6.464   2.614
  226   1HD1  LEU  30          1HD1      LEU  30  -0.726   4.573   0.980
  227   2HD1  LEU  30          3HD1      LEU  30   0.648   5.126   0.023
  228   3HD1  LEU  30          2HD1      LEU  30   0.896   4.552   1.672
  229   1HD2  LEU  30          1HD2      LEU  30   0.715   8.026   0.212
  230   2HD2  LEU  30          3HD2      LEU  30   1.447   8.066   1.817
  231   3HD2  LEU  30          2HD2      LEU  30   1.941   6.834   0.653
  232    H    ALA  31           H        ALA  31  -3.275   4.757   3.064
  233    HA   ALA  31           HA       ALA  31  -2.534   4.679   5.700
  234   1HB   ALA  31          1HB       ALA  31  -3.346   2.736   3.706
  235   2HB   ALA  31          3HB       ALA  31  -2.260   2.046   4.913
  236   3HB   ALA  31          2HB       ALA  31  -3.752   2.838   5.420
  237    H    THR  32           H        THR  32  -0.829   3.657   6.853
  238    HA   THR  32           HA       THR  32   1.738   3.749   5.414
  239    HB   THR  32           HB       THR  32   2.820   4.178   7.506
  240    HG1  THR  32           HG1      THR  32   1.514   2.804   8.819
  241   1HG2  THR  32          2HG2      THR  32   0.411   5.799   6.863
  242   2HG2  THR  32          1HG2      THR  32   1.274   6.149   8.361
  243   3HG2  THR  32          3HG2      THR  32   2.117   6.241   6.815
  244    H    TYR  33           H        TYR  33   3.282   2.403   7.281
  245    HA   TYR  33           HA       TYR  33   2.719  -0.323   6.581
  246   1HB   TYR  33          2HB       TYR  33   5.025   0.381   6.659
  247   2HB   TYR  33          1HB       TYR  33   4.853   0.920   8.323
  248    HD1  TYR  33           HD1      TYR  33   4.366  -2.203   6.322
  249    HD2  TYR  33           HD2      TYR  33   5.703  -0.455   9.963
  250    HE1  TYR  33           HE1      TYR  33   5.084  -4.415   7.111
  251    HE2  TYR  33           HE2      TYR  33   6.429  -2.665  10.763
  252    HH   TYR  33           HH       TYR  33   5.950  -5.582   8.791
  253    H    LYS  34           H        LYS  34   3.435   1.084   9.750
  254    HA   LYS  34           HA       LYS  34   2.460  -0.900  11.348
  255   1HB   LYS  34          2HB       LYS  34   2.352   2.084  11.805
  256   2HB   LYS  34          1HB       LYS  34   2.029   0.892  13.053
  257   1HG   LYS  34          2HG       LYS  34   4.459   0.080  12.106
  258   2HG   LYS  34          1HG       LYS  34   4.565   1.837  11.971
  259   1HD   LYS  34          2HD       LYS  34   3.714   1.919  14.366
  260   2HD   LYS  34          1HD       LYS  34   4.031   0.185  14.427
  261   1HE   LYS  34          2HE       LYS  34   6.046   0.885  15.178
  262   2HE   LYS  34          1HE       LYS  34   6.379   1.018  13.452
  263   1HZ   LYS  34          1HZ       LYS  34   5.705   3.373  13.596
  264   2HZ   LYS  34          3HZ       LYS  34   5.553   3.213  15.273
  265   3HZ   LYS  34          2HZ       LYS  34   7.064   3.019  14.537
  266    H    GLN  35           H        GLN  35   0.632   1.762   9.881
  267    HA   GLN  35           HA       GLN  35  -1.837   1.176  11.102
  268   1HB   GLN  35          2HB       GLN  35  -1.182   2.562   8.499
  269   2HB   GLN  35          1HB       GLN  35  -2.790   2.504   9.201
  270   1HG   GLN  35          2HG       GLN  35  -1.997   3.696  11.164
  271   2HG   GLN  35          1HG       GLN  35  -0.366   3.726  10.496
  272   1HE2  GLN  35          1HE2      GLN  35  -1.578   6.046  11.227
  273   2HE2  GLN  35          2HE2      GLN  35  -1.968   6.978   9.825
  274    H    LEU  36           H        LEU  36  -0.452   0.206   7.977
  275    HA   LEU  36           HA       LEU  36  -2.630  -1.221   6.993
  276   1HB   LEU  36          2HB       LEU  36  -0.297  -0.599   5.973
  277   2HB   LEU  36          1HB       LEU  36   0.173  -2.165   6.583
  278    HG   LEU  36           HG       LEU  36  -0.484  -2.181   4.184
  279   1HD1  LEU  36          3HD1      LEU  36  -2.207  -3.786   6.064
  280   2HD1  LEU  36          2HD1      LEU  36  -2.007  -4.123   4.344
  281   3HD1  LEU  36          1HD1      LEU  36  -0.622  -4.234   5.431
  282   1HD2  LEU  36          2HD2      LEU  36  -2.670  -0.671   5.165
  283   2HD2  LEU  36          1HD2      LEU  36  -2.303  -1.117   3.499
  284   3HD2  LEU  36          3HD2      LEU  36  -3.308  -2.173   4.493
  285    H    GLU  37           H        GLU  37  -0.064  -2.098   9.208
  286    HA   GLU  37           HA       GLU  37  -0.488  -4.847   9.402
  287   1HB   GLU  37          2HB       GLU  37   1.423  -3.613  10.405
  288   2HB   GLU  37          1HB       GLU  37   0.332  -2.972  11.623
  289   1HG   GLU  37          2HG       GLU  37  -0.182  -5.517  12.020
  290   2HG   GLU  37          1HG       GLU  37   1.417  -5.715  11.306
  291    H    ALA  38           H        ALA  38  -1.668  -2.337  11.614
  292    HA   ALA  38           HA       ALA  38  -3.364  -3.923  13.117
  293   1HB   ALA  38          2HB       ALA  38  -2.638  -1.404  13.348
  294   2HB   ALA  38          3HB       ALA  38  -4.135  -1.991  14.076
  295   3HB   ALA  38          1HB       ALA  38  -4.181  -1.120  12.543
  296    H    ALA  39           H        ALA  39  -3.725  -2.793   9.900
  297    HA   ALA  39           HA       ALA  39  -6.609  -3.272   9.849
  298   1HB   ALA  39          3HB       ALA  39  -4.758  -2.482   7.599
  299   2HB   ALA  39          1HB       ALA  39  -5.647  -1.348   8.616
  300   3HB   ALA  39          2HB       ALA  39  -6.521  -2.465   7.568
  301    H    ARG  40           H        ARG  40  -3.601  -4.708   8.975
  302    HA   ARG  40           HA       ARG  40  -4.602  -6.719   7.234
  303   1HB   ARG  40          2HB       ARG  40  -2.305  -6.153   7.051
  304   2HB   ARG  40          1HB       ARG  40  -2.050  -6.335   8.781
  305   1HG   ARG  40          2HG       ARG  40  -2.550  -8.789   8.474
  306   2HG   ARG  40          1HG       ARG  40  -2.472  -8.498   6.736
  307   1HD   ARG  40          2HD       ARG  40  -0.334  -9.284   7.416
  308   2HD   ARG  40          1HD       ARG  40  -0.179  -7.560   7.082
  309    HE   ARG  40           HE       ARG  40  -0.111  -7.170   9.454
  310   1HH1  ARG  40          1HH1      ARG  40   0.150 -10.500   8.466
  311   2HH1  ARG  40          2HH1      ARG  40   0.887 -11.016   9.946
  312   1HH2  ARG  40          2HH2      ARG  40   0.861  -7.839  11.406
  313   2HH2  ARG  40          1HH2      ARG  40   1.291  -9.505  11.617
  314    H    LYS  41           H        LYS  41  -4.048  -6.411  10.677
  315    HA   LYS  41           HA       LYS  41  -4.431  -9.165  11.271
  316   1HB   LYS  41          2HB       LYS  41  -4.770  -6.860  13.180
  317   2HB   LYS  41          1HB       LYS  41  -4.363  -8.525  13.571
  318   1HG   LYS  41          2HG       LYS  41  -2.295  -8.010  12.011
  319   2HG   LYS  41          1HG       LYS  41  -2.656  -6.354  12.498
  320   1HD   LYS  41          2HD       LYS  41  -2.742  -8.132  14.766
  321   2HD   LYS  41          1HD       LYS  41  -1.193  -8.255  13.928
  322   1HE   LYS  41          2HE       LYS  41  -0.829  -6.538  15.446
  323   2HE   LYS  41          1HE       LYS  41  -1.227  -5.677  13.960
  324   1HZ   LYS  41          2HZ       LYS  41  -3.493  -6.313  15.639
  325   2HZ   LYS  41          1HZ       LYS  41  -2.394  -5.227  16.327
  326   3HZ   LYS  41          3HZ       LYS  41  -3.111  -4.875  14.835
  327    H    ILE  42           H        ILE  42  -6.544  -6.591  10.567
  328    HA   ILE  42           HA       ILE  42  -8.808  -7.741  11.976
  329    HB   ILE  42           HB       ILE  42 -10.067  -5.860  11.269
  330   1HG1  ILE  42          1HG1      ILE  42  -8.040  -4.543   9.619
  331   2HG1  ILE  42          2HG1      ILE  42  -8.629  -6.041   8.918
  332   1HG2  ILE  42          1HG2      ILE  42  -7.233  -5.177  11.987
  333   2HG2  ILE  42          3HG2      ILE  42  -8.482  -3.940  11.836
  334   3HG2  ILE  42          2HG2      ILE  42  -8.656  -5.226  13.030
  335   1HD1  ILE  42          3HD1      ILE  42 -10.896  -4.662   9.817
  336   2HD1  ILE  42          2HD1      ILE  42  -9.873  -3.475   9.005
  337   3HD1  ILE  42          1HD1      ILE  42 -10.379  -4.935   8.153
  338    H    GLY  43           H        GLY  43  -7.236  -8.287   9.089
  339   1HA   GLY  43          1HA       GLY  43  -9.704  -9.342   7.851
  340   2HA   GLY  43          2HA       GLY  43  -8.191 -10.238   7.865
  341    H    PHE  44           H        PHE  44  -7.129  -7.222   7.475
  342    HA   PHE  44           HA       PHE  44  -7.819  -6.777   4.716
  343   1HB   PHE  44          2HB       PHE  44  -7.182  -5.013   6.495
  344   2HB   PHE  44          1HB       PHE  44  -5.518  -5.462   6.137
  345    HD1  PHE  44           HD1      PHE  44  -7.285  -5.917   3.195
  346    HD2  PHE  44           HD2      PHE  44  -5.762  -2.824   5.690
  347    HE1  PHE  44           HE1      PHE  44  -7.291  -4.374   1.279
  348    HE2  PHE  44           HE2      PHE  44  -5.768  -1.274   3.777
  349    HZ   PHE  44           HZ       PHE  44  -6.531  -2.051   1.569
  350    H    HIS  45           H        HIS  45  -6.788  -7.458   2.947
  351    HA   HIS  45           HA       HIS  45  -4.015  -8.297   3.049
  352   1HB   HIS  45          2HB       HIS  45  -5.226 -10.325   3.746
  353   2HB   HIS  45          1HB       HIS  45  -6.202 -10.244   2.286
  354    HD1  HIS  45           HD1      HIS  45  -4.241 -12.610   3.157
  355    HD2  HIS  45           HD2      HIS  45  -3.491  -9.690   0.298
  356    HE1  HIS  45           HE1      HIS  45  -2.515 -13.600   1.620
  357    HE2  HIS  45           HE2      HIS  45  -2.012 -11.781  -0.048
  358    H    VAL  46           H        VAL  46  -3.012  -7.817   1.188
  359    HA   VAL  46           HA       VAL  46  -4.457  -7.830  -1.326
  360    HB   VAL  46           HB       VAL  46  -3.024  -5.331  -1.217
  361   1HG1  VAL  46          2HG1      VAL  46  -5.584  -6.422  -2.125
  362   2HG1  VAL  46          1HG1      VAL  46  -5.644  -4.725  -1.646
  363   3HG1  VAL  46          3HG1      VAL  46  -4.511  -5.251  -2.892
  364   1HG2  VAL  46          1HG2      VAL  46  -3.609  -5.372   1.169
  365   2HG2  VAL  46          3HG2      VAL  46  -4.467  -4.097   0.299
  366   3HG2  VAL  46          2HG2      VAL  46  -5.306  -5.586   0.740
  367    H    CYS  47           H        CYS  47  -3.077  -9.260  -2.241
  368    HA   CYS  47           HA       CYS  47  -0.255  -9.182  -1.924
  369   1HB   CYS  47          2HB       CYS  47  -1.275 -10.491  -4.354
  370   2HB   CYS  47          1HB       CYS  47  -0.264 -11.135  -3.066
  371    H    ALA  48           H        ALA  48   0.194  -6.959  -2.409
  372    HA   ALA  48           HA       ALA  48   1.222  -6.520  -4.970
  373   1HB   ALA  48          1HB       ALA  48  -1.302  -6.380  -5.408
  374   2HB   ALA  48          2HB       ALA  48  -0.284  -5.082  -6.031
  375   3HB   ALA  48          3HB       ALA  48  -1.227  -4.835  -4.561
  376    H    ALA  49           H        ALA  49   2.857  -5.187  -4.604
  377    HA   ALA  49           HA       ALA  49   3.513  -3.925  -2.306
  378   1HB   ALA  49          3HB       ALA  49   5.300  -3.418  -3.515
  379   2HB   ALA  49          2HB       ALA  49   4.429  -3.851  -4.987
  380   3HB   ALA  49          1HB       ALA  49   4.377  -2.193  -4.386
  381    H    GLY  50           H        GLY  50   2.324  -2.600  -1.092
  382   1HA   GLY  50          2HA       GLY  50   0.366  -1.179  -0.878
  383   2HA   GLY  50          1HA       GLY  50   0.760  -0.498  -2.447
  384    H    TRP  51           H        TRP  51   1.645   1.443  -2.412
  385    HA   TRP  51           HA       TRP  51   3.838   2.277  -1.005
  386   1HB   TRP  51          2HB       TRP  51   1.519   3.761  -2.189
  387   2HB   TRP  51          1HB       TRP  51   2.752   4.638  -1.286
  388    HD1  TRP  51           HD1      TRP  51   2.011   3.379  -4.675
  389    HE1  TRP  51           HE1      TRP  51   4.100   3.564  -6.181
  390    HE3  TRP  51           HE3      TRP  51   5.516   4.326  -1.083
  391    HZ2  TRP  51           HZ2      TRP  51   6.871   4.053  -5.875
  392    HZ3  TRP  51           HZ3      TRP  51   7.858   4.641  -1.763
  393    HH2  TRP  51           HH2      TRP  51   8.520   4.504  -4.109
  394    H    MET  52           H        MET  52   4.121   3.722   0.786
  395    HA   MET  52           HA       MET  52   2.116   4.433   2.604
  396   1HB   MET  52          2HB       MET  52   3.100   2.728   4.417
  397   2HB   MET  52          1HB       MET  52   1.685   2.363   3.440
  398   1HG   MET  52          2HG       MET  52   3.000   1.053   1.923
  399   2HG   MET  52          1HG       MET  52   4.489   1.532   2.737
  400   1HE   MET  52          2HE       MET  52   2.165  -1.183   2.185
  401   2HE   MET  52          1HE       MET  52   1.772  -1.919   3.739
  402   3HE   MET  52          3HE       MET  52   1.034  -0.386   3.278
  403    H    ALA  53           H        ALA  53   3.170   4.800   4.897
  404    HA   ALA  53           HA       ALA  53   4.617   6.122   6.058
  405   1HB   ALA  53          3HB       ALA  53   6.951   4.907   4.705
  406   2HB   ALA  53          2HB       ALA  53   6.625   5.139   6.422
  407   3HB   ALA  53          1HB       ALA  53   5.841   3.825   5.545
  408    H    LYS  54           H        LYS  54   7.100   7.146   5.525
  409    HA   LYS  54           HA       LYS  54   6.515   9.470   4.091
  410   1HB   LYS  54          2HB       LYS  54   8.688   8.445   5.612
  411   2HB   LYS  54          1HB       LYS  54   9.337   9.059   4.099
  412   1HG   LYS  54          2HG       LYS  54   8.293  11.217   4.505
  413   2HG   LYS  54          1HG       LYS  54   7.596  10.607   6.005
  414   1HD   LYS  54          2HD       LYS  54  10.181  10.020   6.437
  415   2HD   LYS  54          1HD       LYS  54  10.366  11.433   5.395
  416   1HE   LYS  54          2HE       LYS  54   8.333  11.988   7.302
  417   2HE   LYS  54          1HE       LYS  54   9.734  11.343   8.159
  418   1HZ   LYS  54          3HZ       LYS  54   9.769  13.631   6.266
  419   2HZ   LYS  54          2HZ       LYS  54   9.854  13.743   7.951
  420   3HZ   LYS  54          1HZ       LYS  54  11.113  13.012   7.088
  421    H    GLY  55           H        GLY  55   7.338   6.391   2.921
  422   1HA   GLY  55          1HA       GLY  55   8.659   7.287   0.517
  423   2HA   GLY  55          2HA       GLY  55   6.971   6.853   0.277
  424    H    ARG  56           H        ARG  56   7.256   4.801   2.487
  425    HA   ARG  56           HA       ARG  56   8.953   2.842   1.119
  426   1HB   ARG  56          2HB       ARG  56   9.183   1.732   3.113
  427   2HB   ARG  56          1HB       ARG  56   8.929   3.365   3.710
  428   1HG   ARG  56          2HG       ARG  56   6.592   2.878   4.128
  429   2HG   ARG  56          1HG       ARG  56   6.794   1.256   3.462
  430   1HD   ARG  56          2HD       ARG  56   6.849   1.163   5.878
  431   2HD   ARG  56          1HD       ARG  56   8.434   0.759   5.222
  432    HE   ARG  56           HE       ARG  56   8.292   3.518   5.822
  433   1HH1  ARG  56          1HH1      ARG  56   8.555   0.393   7.338
  434   2HH1  ARG  56          2HH1      ARG  56   9.391   0.994   8.731
  435   1HH2  ARG  56          1HH2      ARG  56   9.392   4.321   7.652
  436   2HH2  ARG  56          2HH2      ARG  56   9.866   3.229   8.910
  437    H    VAL  57           H        VAL  57   8.147   1.055   0.146
  438    HA   VAL  57           HA       VAL  57   5.241   0.608   0.317
  439    HB   VAL  57           HB       VAL  57   5.260   1.449  -1.800
  440   1HG1  VAL  57          3HG1      VAL  57   8.125   0.621  -1.849
  441   2HG1  VAL  57          2HG1      VAL  57   7.288   0.972  -3.362
  442   3HG1  VAL  57          1HG1      VAL  57   7.405   2.211  -2.112
  443   1HG2  VAL  57          3HG2      VAL  57   5.325  -1.370  -1.713
  444   2HG2  VAL  57          2HG2      VAL  57   4.548  -0.335  -2.910
  445   3HG2  VAL  57          1HG2      VAL  57   6.207  -0.876  -3.159
  446    H    GLY  58           H        GLY  58   4.794  -1.346   1.061
  447   1HA   GLY  58          2HA       GLY  58   5.816  -3.380   2.032
  448   2HA   GLY  58          1HA       GLY  58   6.726  -3.521   0.536
  449    H    TYR  59           H        TYR  59   5.412  -5.706   1.235
  450    HA   TYR  59           HA       TYR  59   2.979  -5.687  -0.431
  451   1HB   TYR  59          2HB       TYR  59   4.509  -8.216  -0.192
  452   2HB   TYR  59          1HB       TYR  59   3.639  -7.548  -1.572
  453    HD1  TYR  59           HD1      TYR  59   4.821  -5.105  -2.257
  454    HD2  TYR  59           HD2      TYR  59   6.741  -8.537  -0.633
  455    HE1  TYR  59           HE1      TYR  59   6.948  -4.379  -3.252
  456    HE2  TYR  59           HE2      TYR  59   8.874  -7.818  -1.622
  457    HH   TYR  59           HH       TYR  59   9.804  -6.413  -3.176
  458    HA   PRO  60           HA       PRO  60   1.731  -6.989   3.835
  459   1HB   PRO  60          2HB       PRO  60  -0.844  -5.965   2.809
  460   2HB   PRO  60          1HB       PRO  60  -0.008  -5.593   4.317
  461   1HG   PRO  60          2HG       PRO  60  -0.135  -3.829   2.300
  462   2HG   PRO  60          1HG       PRO  60   1.284  -3.949   3.352
  463   1HD   PRO  60          2HD       PRO  60   0.898  -4.947   0.567
  464   2HD   PRO  60          1HD       PRO  60   2.346  -4.264   1.333
  465    H    ILE  61           H        ILE  61   1.336  -9.094   4.033
  466    HA   ILE  61           HA       ILE  61  -0.813 -10.294   2.436
  467    HB   ILE  61           HB       ILE  61   1.860 -11.638   2.852
  468   1HG1  ILE  61          2HG1      ILE  61   1.840  -9.651   1.254
  469   2HG1  ILE  61          1HG1      ILE  61   2.399 -11.184   0.590
  470   1HG2  ILE  61          3HG2      ILE  61  -0.128 -13.116   2.708
  471   2HG2  ILE  61          2HG2      ILE  61  -0.460 -12.449   1.109
  472   3HG2  ILE  61          1HG2      ILE  61   1.026 -13.354   1.396
  473   1HD1  ILE  61          1HD1      ILE  61  -0.389 -11.043   0.166
  474   2HD1  ILE  61          3HD1      ILE  61   0.313  -9.504  -0.331
  475   3HD1  ILE  61          2HD1      ILE  61   0.910 -11.012  -1.026
  476    H    VAL  62           H        VAL  62  -2.216 -10.617   4.095
  477    HA   VAL  62           HA       VAL  62  -1.418 -11.481   6.691
  478    HB   VAL  62           HB       VAL  62  -3.624 -10.259   5.834
  479   1HG1  VAL  62          2HG1      VAL  62  -4.380 -13.173   5.907
  480   2HG1  VAL  62          1HG1      VAL  62  -5.538 -11.844   5.971
  481   3HG1  VAL  62          3HG1      VAL  62  -4.524 -12.061   4.545
  482   1HG2  VAL  62          2HG2      VAL  62  -2.826 -10.660   8.182
  483   2HG2  VAL  62          1HG2      VAL  62  -4.577 -10.626   7.979
  484   3HG2  VAL  62          3HG2      VAL  62  -3.740 -12.168   8.157
  485    H    LYS  63           H        LYS  63  -2.813 -13.084   3.872
  486    HA   LYS  63           HA       LYS  63  -2.348 -15.681   5.186
  487   1HB   LYS  63          2HB       LYS  63  -4.718 -14.874   4.324
  488   2HB   LYS  63          1HB       LYS  63  -4.095 -15.430   2.778
  489   1HG   LYS  63          2HG       LYS  63  -3.870 -17.254   5.109
  490   2HG   LYS  63          1HG       LYS  63  -5.458 -17.016   4.378
  491   1HD   LYS  63          2HD       LYS  63  -4.575 -17.670   2.206
  492   2HD   LYS  63          1HD       LYS  63  -2.966 -17.859   2.903
  493   1HE   LYS  63          2HE       LYS  63  -3.614 -20.023   3.024
  494   2HE   LYS  63          1HE       LYS  63  -4.318 -19.471   4.542
  495   1HZ   LYS  63          3HZ       LYS  63  -6.345 -18.962   2.987
  496   2HZ   LYS  63          2HZ       LYS  63  -5.641 -20.162   2.024
  497   3HZ   LYS  63          1HZ       LYS  63  -6.097 -20.514   3.615
  498    HA   PRO  64           HA       PRO  64   1.062 -15.579   2.150
  499   1HB   PRO  64          2HB       PRO  64   1.982 -18.047   3.103
  500   2HB   PRO  64          1HB       PRO  64   2.558 -16.458   3.606
  501   1HG   PRO  64          2HG       PRO  64   0.604 -18.271   4.926
  502   2HG   PRO  64          1HG       PRO  64   1.786 -17.169   5.650
  503   1HD   PRO  64          1HD       PRO  64  -0.834 -16.584   5.584
  504   2HD   PRO  64          2HD       PRO  64   0.407 -15.325   5.402
  505    H    GLY  65           H        GLY  65   1.298 -16.596   0.211
  506   1HA   GLY  65          2HA       GLY  65  -0.673 -17.767  -1.154
  507   2HA   GLY  65          1HA       GLY  65  -0.021 -19.146  -0.283
  508    HA   PRO  66           HA       PRO  66   2.734 -19.680  -3.691
  509   1HB   PRO  66          2HB       PRO  66   1.326 -19.649  -6.024
  510   2HB   PRO  66          1HB       PRO  66   1.286 -20.995  -4.883
  511   1HG   PRO  66          2HG       PRO  66  -0.677 -18.772  -5.265
  512   2HG   PRO  66          1HG       PRO  66  -0.978 -20.494  -4.972
  513   1HD   PRO  66          2HD       PRO  66  -1.164 -18.621  -3.022
  514   2HD   PRO  66          1HD       PRO  66  -0.653 -20.289  -2.696
  515    H    ASN  67           H        ASN  67   0.593 -17.639  -5.627
  516    HA   ASN  67           HA       ASN  67   2.854 -15.855  -6.146
  517   1HB   ASN  67          2HB       ASN  67   2.099 -15.945  -8.249
  518   2HB   ASN  67          1HB       ASN  67   0.701 -16.886  -7.734
  519   1HD2  ASN  67          1HD2      ASN  67  -1.202 -15.758  -7.096
  520   2HD2  ASN  67          2HD2      ASN  67  -1.528 -14.178  -7.714
  521    H    CYS  68           H        CYS  68   0.064 -16.017  -4.267
  522    HA   CYS  68           HA       CYS  68  -0.203 -13.097  -4.129
  523   1HB   CYS  68          2HB       CYS  68  -2.102 -15.169  -4.127
  524   2HB   CYS  68          1HB       CYS  68  -2.093 -14.535  -2.485
  525    H    GLY  69           H        GLY  69   2.112 -13.954  -3.019
  526   1HA   GLY  69          1HA       GLY  69   1.724 -14.402  -0.172
  527   2HA   GLY  69          2HA       GLY  69   2.353 -12.817  -0.608
  528    H    PHE  70           H        PHE  70   3.110 -15.732  -2.393
  529    HA   PHE  70           HA       PHE  70   5.067 -16.811  -2.800
  530   1HB   PHE  70          2HB       PHE  70   6.143 -14.166  -1.830
  531   2HB   PHE  70          1HB       PHE  70   7.198 -15.470  -2.364
  532    HD1  PHE  70           HD1      PHE  70   6.640 -16.453  -4.729
  533    HD2  PHE  70           HD2      PHE  70   5.443 -12.605  -3.364
  534    HE1  PHE  70           HE1      PHE  70   6.385 -15.711  -7.060
  535    HE2  PHE  70           HE2      PHE  70   5.185 -11.854  -5.693
  536    HZ   PHE  70           HZ       PHE  70   5.658 -13.409  -7.545
  537    H    GLY  71           H        GLY  71   3.719 -17.163  -0.261
  538   1HA   GLY  71          1HA       GLY  71   5.717 -18.675   1.083
  539   2HA   GLY  71          2HA       GLY  71   4.075 -18.394   1.651
  540    H    LYS  72           H        LYS  72   4.784 -15.395   1.279
  541    HA   LYS  72           HA       LYS  72   6.556 -15.039   3.575
  542   1HB   LYS  72          2HB       LYS  72   5.368 -13.003   1.681
  543   2HB   LYS  72          1HB       LYS  72   6.523 -12.652   2.961
  544   1HG   LYS  72          2HG       LYS  72   8.210 -13.979   1.864
  545   2HG   LYS  72          1HG       LYS  72   7.054 -14.481   0.628
  546   1HD   LYS  72          2HD       LYS  72   7.260 -12.558  -0.516
  547   2HD   LYS  72          1HD       LYS  72   7.289 -11.578   0.952
  548   1HE   LYS  72          2HE       LYS  72   9.431 -11.233   0.293
  549   2HE   LYS  72          1HE       LYS  72   9.680 -12.735   1.185
  550   1HZ   LYS  72          1HZ       LYS  72   8.937 -13.089  -1.585
  551   2HZ   LYS  72          3HZ       LYS  72  10.436 -12.335  -1.357
  552   3HZ   LYS  72          2HZ       LYS  72  10.141 -13.857  -0.679
  553    H    THR  73           H        THR  73   5.965 -13.816   5.401
  554    HA   THR  73           HA       THR  73   3.057 -13.557   5.805
  555    HB   THR  73           HB       THR  73   4.030 -13.773   8.340
  556    HG1  THR  73           HG1      THR  73   6.070 -14.431   7.883
  557   1HG2  THR  73          3HG2      THR  73   3.103 -15.995   6.520
  558   2HG2  THR  73          2HG2      THR  73   3.164 -16.089   8.281
  559   3HG2  THR  73          1HG2      THR  73   2.081 -14.939   7.496
  560    H    GLY  74           H        GLY  74   2.329 -11.605   6.359
  561   1HA   GLY  74          2HA       GLY  74   4.021  -9.749   7.825
  562   2HA   GLY  74          1HA       GLY  74   2.323  -9.523   7.424
  563    H    ILE  75           H        ILE  75   3.225  -7.313   6.956
  564    HA   ILE  75           HA       ILE  75   3.320  -6.895   4.179
  565    HB   ILE  75           HB       ILE  75   4.290  -4.920   6.228
  566   1HG1  ILE  75          2HG1      ILE  75   1.727  -4.237   6.002
  567   2HG1  ILE  75          1HG1      ILE  75   1.548  -5.963   5.719
  568   1HG2  ILE  75          3HG2      ILE  75   4.050  -4.783   3.479
  569   2HG2  ILE  75          2HG2      ILE  75   2.607  -3.962   4.074
  570   3HG2  ILE  75          1HG2      ILE  75   4.204  -3.420   4.589
  571   1HD1  ILE  75          3HD1      ILE  75   3.179  -5.806   7.947
  572   2HD1  ILE  75          2HD1      ILE  75   1.986  -4.527   8.181
  573   3HD1  ILE  75          1HD1      ILE  75   1.458  -6.189   7.918
  574    H    ILE  76           H        ILE  76   4.997  -7.891   3.138
  575    HA   ILE  76           HA       ILE  76   7.689  -7.829   4.066
  576    HB   ILE  76           HB       ILE  76   6.835  -8.329   1.220
  577   1HG1  ILE  76          2HG1      ILE  76   5.421  -9.736   2.556
  578   2HG1  ILE  76          1HG1      ILE  76   6.709 -10.745   1.907
  579   1HG2  ILE  76          3HG2      ILE  76   9.320  -8.319   2.511
  580   2HG2  ILE  76          2HG2      ILE  76   8.915 -10.016   2.249
  581   3HG2  ILE  76          1HG2      ILE  76   8.954  -8.897   0.886
  582   1HD1  ILE  76          2HD1      ILE  76   6.649  -9.596   4.685
  583   2HD1  ILE  76          1HD1      ILE  76   6.200 -11.246   4.248
  584   3HD1  ILE  76          3HD1      ILE  76   7.861 -10.695   4.026
  585    H    ASP  77           H        ASP  77   7.931  -5.542   4.458
  586    HA   ASP  77           HA       ASP  77   8.249  -3.914   2.034
  587   1HB   ASP  77          2HB       ASP  77   6.839  -2.741   3.483
  588   2HB   ASP  77          1HB       ASP  77   7.739  -3.233   4.913
  589    H    TYR  78           H        TYR  78  10.224  -3.523   1.304
  590    HA   TYR  78           HA       TYR  78  12.526  -4.284   2.880
  591   1HB   TYR  78          2HB       TYR  78  12.252  -3.280   0.041
  592   2HB   TYR  78          1HB       TYR  78  13.769  -3.772   0.779
  593    HD1  TYR  78           HD1      TYR  78  10.319  -5.196   0.535
  594    HD2  TYR  78           HD2      TYR  78  14.501  -5.847   0.102
  595    HE1  TYR  78           HE1      TYR  78   9.880  -7.520  -0.134
  596    HE2  TYR  78           HE2      TYR  78  14.075  -8.174  -0.570
  597    HH   TYR  78           HH       TYR  78  12.316  -9.875  -0.308
  598    H    GLY  79           H        GLY  79  10.697  -1.555   2.646
  599   1HA   GLY  79          2HA       GLY  79  12.884   0.089   3.680
  600   2HA   GLY  79          1HA       GLY  79  11.163   0.455   3.787
  601    H    ILE  80           H        ILE  80  12.113   2.605   3.089
  602    HA   ILE  80           HA       ILE  80  11.390   3.128   0.432
  603    HB   ILE  80           HB       ILE  80  13.196   4.866   2.110
  604   1HG1  ILE  80          1HG1      ILE  80  10.192   5.058   2.054
  605   2HG1  ILE  80          2HG1      ILE  80  11.013   4.022   3.217
  606   1HG2  ILE  80          3HG2      ILE  80  11.800   5.169  -0.429
  607   2HG2  ILE  80          2HG2      ILE  80  11.455   6.466   0.714
  608   3HG2  ILE  80          1HG2      ILE  80  13.122   6.113   0.258
  609   1HD1  ILE  80          1HD1      ILE  80  12.253   6.566   3.293
  610   2HD1  ILE  80          3HD1      ILE  80  10.507   6.797   3.372
  611   3HD1  ILE  80          2HD1      ILE  80  11.311   5.755   4.545
  612    H    ARG  81           H        ARG  81  12.456   2.970  -1.433
  613    HA   ARG  81           HA       ARG  81  15.303   2.283  -1.347
  614   1HB   ARG  81          2HB       ARG  81  13.391   2.065  -3.676
  615   2HB   ARG  81          1HB       ARG  81  15.009   1.383  -3.571
  616   1HG   ARG  81          2HG       ARG  81  13.292   0.509  -1.398
  617   2HG   ARG  81          1HG       ARG  81  12.650   0.090  -2.988
  618   1HD   ARG  81          2HD       ARG  81  15.221  -0.599  -3.340
  619   2HD   ARG  81          1HD       ARG  81  15.079  -0.866  -1.603
  620    HE   ARG  81           HE       ARG  81  12.889  -2.073  -2.842
  621   1HH1  ARG  81          2HH1      ARG  81  16.351  -2.421  -2.690
  622   2HH1  ARG  81          1HH1      ARG  81  16.321  -4.129  -2.973
  623   1HH2  ARG  81          2HH2      ARG  81  12.839  -4.322  -3.216
  624   2HH2  ARG  81          1HH2      ARG  81  14.324  -5.210  -3.273
  625    H    LEU  82           H        LEU  82  13.938   5.041  -1.248
  626    HA   LEU  82           HA       LEU  82  14.306   7.144  -2.038
  627   1HB   LEU  82          2HB       LEU  82  16.731   5.961  -1.659
  628   2HB   LEU  82          1HB       LEU  82  16.858   6.465  -3.330
  629    HG   LEU  82           HG       LEU  82  17.806   8.182  -1.963
  630   1HD1  LEU  82          1HD1      LEU  82  15.147   8.794  -3.181
  631   2HD1  LEU  82          3HD1      LEU  82  16.060  10.060  -2.360
  632   3HD1  LEU  82          2HD1      LEU  82  16.764   9.222  -3.742
  633   1HD2  LEU  82          1HD2      LEU  82  15.354   7.769  -0.330
  634   2HD2  LEU  82          3HD2      LEU  82  17.031   7.972   0.179
  635   3HD2  LEU  82          2HD2      LEU  82  16.096   9.369  -0.357
  636    H    ASN  83           H        ASN  83  12.707   5.689  -3.710
  637    HA   ASN  83           HA       ASN  83  13.088   7.055  -6.194
  638   1HB   ASN  83          2HB       ASN  83  14.599   5.068  -6.448
  639   2HB   ASN  83          1HB       ASN  83  13.183   4.034  -6.286
  640   1HD2  ASN  83          1HD2      ASN  83  11.958   3.643  -8.021
  641   2HD2  ASN  83          2HD2      ASN  83  12.184   4.366  -9.573
  642    H    ARG  84           H        ARG  84  11.032   7.804  -5.309
  643    HA   ARG  84           HA       ARG  84   8.809   6.053  -5.044
  644   1HB   ARG  84          2HB       ARG  84   8.342   8.910  -5.696
  645   2HB   ARG  84          1HB       ARG  84   7.617   7.908  -4.448
  646   1HG   ARG  84          2HG       ARG  84   8.931   8.865  -2.956
  647   2HG   ARG  84          1HG       ARG  84  10.333   8.176  -3.775
  648   1HD   ARG  84          2HD       ARG  84  10.310  10.147  -5.307
  649   2HD   ARG  84          1HD       ARG  84   9.044  10.848  -4.300
  650    HE   ARG  84           HE       ARG  84  11.845  10.445  -3.543
  651   1HH1  ARG  84          1HH1      ARG  84   8.669  11.672  -2.807
  652   2HH1  ARG  84          2HH1      ARG  84   9.212  12.654  -1.488
  653   1HH2  ARG  84          1HH2      ARG  84  12.570  11.736  -1.805
  654   2HH2  ARG  84          2HH2      ARG  84  11.429  12.690  -0.919
  655    H    SER  85           H        SER  85  10.489   6.994  -7.727
  656    HA   SER  85           HA       SER  85   8.322   7.398  -9.557
  657   1HB   SER  85          2HB       SER  85  11.121   7.722  -9.617
  658   2HB   SER  85          1HB       SER  85  10.743   6.532 -10.863
  659    HG   SER  85           HG       SER  85   8.932   8.372 -11.133
  660    H    GLU  86           H        GLU  86   8.648   4.840  -7.872
  661    HA   GLU  86           HA       GLU  86   8.936   2.766  -9.849
  662   1HB   GLU  86          2HB       GLU  86   8.301   2.849  -6.922
  663   2HB   GLU  86          1HB       GLU  86   8.009   1.376  -7.835
  664   1HG   GLU  86          2HG       GLU  86  10.651   2.536  -8.278
  665   2HG   GLU  86          1HG       GLU  86  10.349   2.044  -6.611
  666    H    ARG  87           H        ARG  87   6.985   0.966  -9.349
  667    HA   ARG  87           HA       ARG  87   4.444   2.356  -9.770
  668   1HB   ARG  87          2HB       ARG  87   3.938   0.643 -11.577
  669   2HB   ARG  87          1HB       ARG  87   5.039   1.946 -11.998
  670   1HG   ARG  87          2HG       ARG  87   6.522   0.445 -12.652
  671   2HG   ARG  87          1HG       ARG  87   6.621  -0.148 -10.994
  672   1HD   ARG  87          2HD       ARG  87   5.077  -1.844 -11.374
  673   2HD   ARG  87          1HD       ARG  87   4.413  -1.050 -12.803
  674    HE   ARG  87           HE       ARG  87   7.007  -1.612 -13.461
  675   1HH1  ARG  87          1HH1      ARG  87   4.275  -3.472 -12.362
  676   2HH1  ARG  87          2HH1      ARG  87   4.763  -4.916 -13.185
  677   1HH2  ARG  87          1HH2      ARG  87   7.658  -3.507 -14.548
  678   2HH2  ARG  87          2HH2      ARG  87   6.688  -4.937 -14.428
  679    H    TRP  88           H        TRP  88   3.181   1.679  -8.223
  680    HA   TRP  88           HA       TRP  88   2.661  -1.146  -7.862
  681   1HB   TRP  88          2HB       TRP  88   3.288   0.401  -5.365
  682   2HB   TRP  88          1HB       TRP  88   3.236  -1.341  -5.606
  683    HD1  TRP  88           HD1      TRP  88   5.595   1.540  -5.512
  684    HE1  TRP  88           HE1      TRP  88   7.976   0.746  -6.085
  685    HE3  TRP  88           HE3      TRP  88   4.498  -3.150  -7.230
  686    HZ2  TRP  88           HZ2      TRP  88   9.223  -1.563  -7.125
  687    HZ3  TRP  88           HZ3      TRP  88   6.342  -4.588  -7.994
  688    HH2  TRP  88           HH2      TRP  88   8.656  -3.809  -7.942
  689    H    ASP  89           H        ASP  89   1.091  -1.131  -5.677
  690    HA   ASP  89           HA       ASP  89  -1.177   0.418  -6.563
  691   1HB   ASP  89          2HB       ASP  89  -1.243  -1.202  -4.057
  692   2HB   ASP  89          1HB       ASP  89  -2.464  -1.023  -5.312
  693    H    ALA  90           H        ALA  90  -2.543   1.010  -4.301
  694    HA   ALA  90           HA       ALA  90  -0.798   2.637  -2.611
  695   1HB   ALA  90          1HB       ALA  90  -1.421   4.100  -4.463
  696   2HB   ALA  90          2HB       ALA  90  -2.152   4.640  -2.951
  697   3HB   ALA  90          3HB       ALA  90  -3.128   3.785  -4.146
  698    H    TYR  91           H        TYR  91  -1.533   2.846  -0.534
  699    HA   TYR  91           HA       TYR  91  -4.084   1.529   0.079
  700   1HB   TYR  91          2HB       TYR  91  -1.551   1.963   1.635
  701   2HB   TYR  91          1HB       TYR  91  -3.060   1.629   2.467
  702    HD1  TYR  91           HD1      TYR  91  -4.370  -0.509   1.534
  703    HD2  TYR  91           HD2      TYR  91  -0.193   0.191   1.093
  704    HE1  TYR  91           HE1      TYR  91  -4.005  -2.915   1.197
  705    HE2  TYR  91           HE2      TYR  91   0.179  -2.214   0.755
  706    HH   TYR  91           HH       TYR  91  -1.811  -4.274  -0.160
  707    H    CYS  92           H        CYS  92  -5.758   2.795   0.587
  708    HA   CYS  92           HA       CYS  92  -5.234   5.585   1.277
  709   1HB   CYS  92          2HB       CYS  92  -7.111   4.382  -0.381
  710   2HB   CYS  92          1HB       CYS  92  -8.039   4.858   1.037
  711    H    TYR  93           H        TYR  93  -6.323   6.623   3.012
  712    HA   TYR  93           HA       TYR  93  -7.461   4.914   5.084
  713   1HB   TYR  93          2HB       TYR  93  -5.018   5.074   5.541
  714   2HB   TYR  93          1HB       TYR  93  -5.179   6.824   5.632
  715    HD1  TYR  93           HD1      TYR  93  -6.676   7.806   7.423
  716    HD2  TYR  93           HD2      TYR  93  -5.466   3.725   7.423
  717    HE1  TYR  93           HE1      TYR  93  -7.244   7.647   9.809
  718    HE2  TYR  93           HE2      TYR  93  -6.030   3.555   9.812
  719    HH   TYR  93           HH       TYR  93  -7.726   4.894  11.404
  720    H    ASN  94           H        ASN  94  -9.210   5.828   5.920
  721    HA   ASN  94           HA       ASN  94  -9.369   8.709   6.236
  722   1HB   ASN  94          2HB       ASN  94 -10.968   7.165   4.259
  723   2HB   ASN  94          1HB       ASN  94 -11.812   8.405   5.182
  724   1HD2  ASN  94          2HD2      ASN  94 -11.710   8.730   2.554
  725   2HD2  ASN  94          1HD2      ASN  94 -10.602   9.983   2.114
  726    HA   PRO  95           HA       PRO  95 -11.180   7.496  10.081
  727   1HB   PRO  95          2HB       PRO  95 -12.762   9.993   9.683
  728   2HB   PRO  95          1HB       PRO  95 -11.815   9.469  11.083
  729   1HG   PRO  95          2HG       PRO  95 -10.888  11.346   9.431
  730   2HG   PRO  95          1HG       PRO  95  -9.807  10.135  10.143
  731   1HD   PRO  95          1HD       PRO  95 -10.867  10.333   7.369
  732   2HD   PRO  95          2HD       PRO  95  -9.304   9.718   7.941
  733    H    HIS  96           H        HIS  96 -13.132   8.585   7.366
  734    HA   HIS  96           HA       HIS  96 -15.317   6.834   8.284
  735   1HB   HIS  96          2HB       HIS  96 -15.914   9.246   8.194
  736   2HB   HIS  96          1HB       HIS  96 -15.529   9.251   6.475
  737    HD1  HIS  96           HD1      HIS  96 -18.150   8.242   8.904
  738    HD2  HIS  96           HD2      HIS  96 -17.396   7.899   4.833
  739    HE1  HIS  96           HE1      HIS  96 -20.324   7.507   7.878
  740    HE2  HIS  96           HE2      HIS  96 -19.818   7.214   5.426
  741    H    ALA  97           H        ALA  97 -13.323   7.859   5.591
  742    HA   ALA  97           HA       ALA  97 -13.291   7.137   3.378
  743   1HB   ALA  97          2HB       ALA  97 -11.584   5.786   3.978
  744   2HB   ALA  97          3HB       ALA  97 -12.747   4.515   3.594
  745   3HB   ALA  97          1HB       ALA  97 -12.508   5.012   5.268
  746    H    LYS  98           H        LYS  98 -15.667   7.560   3.127
  747    HA   LYS  98           HA       LYS  98 -17.579   5.509   3.324
  748   1HB   LYS  98          2HB       LYS  98 -18.078   7.946   3.081
  749   2HB   LYS  98          1HB       LYS  98 -17.597   7.833   1.392
  750   1HG   LYS  98          2HG       LYS  98 -19.569   7.007   0.788
  751   2HG   LYS  98          1HG       LYS  98 -19.569   5.830   2.102
  752   1HD   LYS  98          2HD       LYS  98 -20.197   7.757   3.633
  753   2HD   LYS  98          1HD       LYS  98 -20.500   8.690   2.165
  754   1HE   LYS  98          2HE       LYS  98 -22.026   6.781   1.457
  755   2HE   LYS  98          1HE       LYS  98 -21.900   6.207   3.119
  756   1HZ   LYS  98          2HZ       LYS  98 -22.506   8.863   3.352
  757   2HZ   LYS  98          1HZ       LYS  98 -23.463   8.346   2.057
  758   3HZ   LYS  98          3HZ       LYS  98 -23.579   7.571   3.557

  No H/Q in entry =         758
  Start of MODEL    8
    1    H1   GLY   1          3H        GLY   1 -11.898   2.419   7.165
    2    H2   GLY   1          2H        GLY   1 -11.742   1.502   8.577
    3    H3   GLY   1          1H        GLY   1 -12.492   3.016   8.634
    4   1HA   GLY   1          2HA       GLY   1  -9.929   2.585   9.273
    5   2HA   GLY   1          1HA       GLY   1 -10.578   4.134   8.756
    6    H    VAL   2           H        VAL   2  -8.231   1.853   8.184
    7    HA   VAL   2           HA       VAL   2  -7.387   3.211   5.776
    8    HB   VAL   2           HB       VAL   2  -5.574   2.781   7.155
    9   1HG1  VAL   2          1HG1      VAL   2  -7.153   0.627   8.092
   10   2HG1  VAL   2          3HG1      VAL   2  -5.573  -0.015   7.640
   11   3HG1  VAL   2          2HG1      VAL   2  -5.689   1.309   8.801
   12   1HG2  VAL   2          1HG2      VAL   2  -5.730   0.643   5.058
   13   2HG2  VAL   2          3HG2      VAL   2  -4.859   2.176   5.013
   14   3HG2  VAL   2          2HG2      VAL   2  -4.294   0.871   6.057
   15    H    TYR   3           H        TYR   3  -7.076   2.289   3.758
   16    HA   TYR   3           HA       TYR   3  -7.891  -0.457   3.297
   17   1HB   TYR   3          2HB       TYR   3  -9.535   0.211   1.527
   18   2HB   TYR   3          1HB       TYR   3 -10.045   0.586   3.168
   19    HD1  TYR   3           HD1      TYR   3  -9.323   3.046   3.961
   20    HD2  TYR   3           HD2      TYR   3  -9.872   1.825  -0.077
   21    HE1  TYR   3           HE1      TYR   3  -9.706   5.387   3.311
   22    HE2  TYR   3           HE2      TYR   3 -10.257   4.162  -0.738
   23    HH   TYR   3           HH       TYR   3 -10.519   6.726   1.642
   24    H    HIS   4           H        HIS   4  -7.895  -0.821   0.767
   25    HA   HIS   4           HA       HIS   4  -5.425   0.432  -0.235
   26   1HB   HIS   4          2HB       HIS   4  -4.901  -1.825   0.025
   27   2HB   HIS   4          1HB       HIS   4  -6.507  -2.356  -0.466
   28    HD1  HIS   4           HD1      HIS   4  -6.866  -2.870  -2.908
   29    HD2  HIS   4           HD2      HIS   4  -3.204  -1.054  -2.161
   30    HE1  HIS   4           HE1      HIS   4  -5.588  -3.018  -5.069
   31    HE2  HIS   4           HE2      HIS   4  -3.354  -1.963  -4.577
   32    H    ARG   5           H        ARG   5  -5.232   0.615  -2.585
   33    HA   ARG   5           HA       ARG   5  -7.622   0.538  -4.187
   34   1HB   ARG   5          2HB       ARG   5  -7.633   2.714  -2.797
   35   2HB   ARG   5          1HB       ARG   5  -6.330   3.227  -3.856
   36   1HG   ARG   5          2HG       ARG   5  -8.298   4.125  -4.775
   37   2HG   ARG   5          1HG       ARG   5  -7.886   2.742  -5.792
   38   1HD   ARG   5          2HD       ARG   5 -10.112   2.342  -5.484
   39   2HD   ARG   5          1HD       ARG   5  -9.459   1.472  -4.098
   40    HE   ARG   5           HE       ARG   5  -9.910   3.859  -3.023
   41   1HH1  ARG   5          1HH1      ARG   5 -11.901   1.906  -5.107
   42   2HH1  ARG   5          2HH1      ARG   5 -13.392   2.503  -4.460
   43   1HH2  ARG   5          2HH2      ARG   5 -11.869   4.652  -2.161
   44   2HH2  ARG   5          1HH2      ARG   5 -13.373   4.065  -2.785
   45    H    GLU   6           H        GLU   6  -7.197   1.128  -6.442
   46    HA   GLU   6           HA       GLU   6  -4.345   0.830  -7.127
   47   1HB   GLU   6          2HB       GLU   6  -4.956  -0.418  -9.064
   48   2HB   GLU   6          1HB       GLU   6  -5.832  -1.114  -7.710
   49   1HG   GLU   6          2HG       GLU   6  -6.999   0.855  -9.660
   50   2HG   GLU   6          1HG       GLU   6  -7.177  -0.895  -9.774
   51    H    ALA   7           H        ALA   7  -4.426   1.353  -9.793
   52    HA   ALA   7           HA       ALA   7  -4.979   4.225  -9.798
   53   1HB   ALA   7          1HB       ALA   7  -2.954   4.266 -10.718
   54   2HB   ALA   7          3HB       ALA   7  -2.964   2.524 -10.987
   55   3HB   ALA   7          2HB       ALA   7  -3.692   3.604 -12.175
   56    H    ARG   8           H        ARG   8  -6.109   5.250 -11.483
   57    HA   ARG   8           HA       ARG   8  -8.429   3.962 -12.366
   58   1HB   ARG   8          2HB       ARG   8  -7.065   6.497 -13.254
   59   2HB   ARG   8          1HB       ARG   8  -8.585   5.961 -13.955
   60   1HG   ARG   8          2HG       ARG   8  -8.554   6.028 -11.028
   61   2HG   ARG   8          1HG       ARG   8  -8.357   7.597 -11.808
   62   1HD   ARG   8          2HD       ARG   8 -10.395   6.330 -13.228
   63   2HD   ARG   8          1HD       ARG   8 -10.719   5.961 -11.534
   64    HE   ARG   8           HE       ARG   8 -10.828   8.320 -11.102
   65   1HH1  ARG   8          1HH1      ARG   8 -10.730   7.418 -14.465
   66   2HH1  ARG   8          2HH1      ARG   8 -11.399   8.916 -15.019
   67   1HH2  ARG   8          2HH2      ARG   8 -11.709  10.297 -11.822
   68   2HH2  ARG   8          1HH2      ARG   8 -11.954  10.553 -13.518
   69    H    SER   9           H        SER   9  -5.251   3.971 -13.641
   70    HA   SER   9           HA       SER   9  -6.134   3.063 -16.275
   71   1HB   SER   9          2HB       SER   9  -4.107   4.714 -15.638
   72   2HB   SER   9          1HB       SER   9  -3.241   3.178 -15.612
   73    HG   SER   9           HG       SER   9  -4.877   3.409 -17.775
   74    H    GLY  10           H        GLY  10  -4.914   1.860 -13.286
   75   1HA   GLY  10          2HA       GLY  10  -4.182  -0.715 -14.483
   76   2HA   GLY  10          1HA       GLY  10  -5.511  -0.687 -13.334
   77    H    LYS  11           H        LYS  11  -4.038  -2.247 -12.247
   78    HA   LYS  11           HA       LYS  11  -2.799  -1.031 -10.024
   79   1HB   LYS  11          2HB       LYS  11  -3.834  -3.300 -10.025
   80   2HB   LYS  11          1HB       LYS  11  -2.481  -3.879 -10.988
   81   1HG   LYS  11          2HG       LYS  11  -0.942  -3.356  -9.188
   82   2HG   LYS  11          1HG       LYS  11  -2.267  -2.695  -8.228
   83   1HD   LYS  11          2HD       LYS  11  -2.337  -4.762  -7.341
   84   2HD   LYS  11          1HD       LYS  11  -3.239  -5.154  -8.806
   85   1HE   LYS  11          2HE       LYS  11  -0.306  -5.576  -8.280
   86   2HE   LYS  11          1HE       LYS  11  -1.542  -6.806  -8.541
   87   1HZ   LYS  11          1HZ       LYS  11  -1.828  -5.820 -10.810
   88   2HZ   LYS  11          3HZ       LYS  11  -0.431  -4.908 -10.526
   89   3HZ   LYS  11          2HZ       LYS  11  -0.349  -6.597 -10.547
   90    H    TYR  12           H        TYR  12  -0.538  -1.417  -9.333
   91    HA   TYR  12           HA       TYR  12   1.681  -0.997  -9.621
   92   1HB   TYR  12          2HB       TYR  12   1.090  -2.946 -11.834
   93   2HB   TYR  12          1HB       TYR  12   2.710  -2.293 -11.617
   94    HD1  TYR  12           HD1      TYR  12   1.065  -2.528  -8.500
   95    HD2  TYR  12           HD2      TYR  12   3.124  -4.866 -11.398
   96    HE1  TYR  12           HE1      TYR  12   1.522  -4.234  -6.790
   97    HE2  TYR  12           HE2      TYR  12   3.586  -6.579  -9.696
   98    HH   TYR  12           HH       TYR  12   2.043  -6.628  -6.671
   99    H    LYS  13           H        LYS  13  -0.048   0.973 -10.641
  100    HA   LYS  13           HA       LYS  13   1.637   2.079 -12.772
  101   1HB   LYS  13          2HB       LYS  13  -1.262   1.557 -12.810
  102   2HB   LYS  13          1HB       LYS  13  -0.793   3.161 -13.349
  103   1HG   LYS  13          2HG       LYS  13   0.974   1.635 -14.716
  104   2HG   LYS  13          1HG       LYS  13  -0.414   0.548 -14.628
  105   1HD   LYS  13          2HD       LYS  13  -1.410   3.110 -15.271
  106   2HD   LYS  13          1HD       LYS  13  -0.016   2.821 -16.314
  107   1HE   LYS  13          2HE       LYS  13  -1.791   0.515 -16.052
  108   2HE   LYS  13          1HE       LYS  13  -2.563   1.925 -16.775
  109   1HZ   LYS  13          1HZ       LYS  13   0.080   1.116 -17.751
  110   2HZ   LYS  13          3HZ       LYS  13  -1.269   0.219 -18.237
  111   3HZ   LYS  13          2HZ       LYS  13  -1.186   1.874 -18.577
  112    H    LEU  14           H        LEU  14   0.723   2.384  -9.700
  113    HA   LEU  14           HA       LEU  14   0.458   5.314  -9.776
  114   1HB   LEU  14          2HB       LEU  14  -0.432   3.206  -7.867
  115   2HB   LEU  14          1HB       LEU  14  -0.079   4.802  -7.243
  116    HG   LEU  14           HG       LEU  14  -1.949   4.499  -9.561
  117   1HD1  LEU  14          1HD1      LEU  14  -2.483   2.974  -7.490
  118   2HD1  LEU  14          3HD1      LEU  14  -3.020   4.498  -6.782
  119   3HD1  LEU  14          2HD1      LEU  14  -3.753   3.914  -8.276
  120   1HD2  LEU  14          2HD2      LEU  14  -1.033   6.714  -8.684
  121   2HD2  LEU  14          1HD2      LEU  14  -2.782   6.576  -8.873
  122   3HD2  LEU  14          3HD2      LEU  14  -2.054   6.438  -7.273
  123    H    THR  15           H        THR  15   1.886   6.617  -8.770
  124    HA   THR  15           HA       THR  15   4.267   5.333  -7.605
  125    HB   THR  15           HB       THR  15   5.607   7.069  -8.389
  126    HG1  THR  15           HG1      THR  15   4.682   8.940  -7.840
  127   1HG2  THR  15          2HG2      THR  15   3.946   5.799 -10.213
  128   2HG2  THR  15          1HG2      THR  15   3.877   7.498 -10.681
  129   3HG2  THR  15          3HG2      THR  15   5.432   6.674 -10.583
  130    H    TYR  16           H        TYR  16   5.150   6.212  -5.683
  131    HA   TYR  16           HA       TYR  16   3.585   6.756  -3.597
  132   1HB   TYR  16          2HB       TYR  16   5.959   6.561  -3.283
  133   2HB   TYR  16          1HB       TYR  16   6.252   8.047  -4.180
  134    HD1  TYR  16           HD1      TYR  16   4.617   6.758  -1.092
  135    HD2  TYR  16           HD2      TYR  16   6.398  10.086  -3.059
  136    HE1  TYR  16           HE1      TYR  16   4.526   8.039   1.005
  137    HE2  TYR  16           HE2      TYR  16   6.310  11.375  -0.967
  138    HH   TYR  16           HH       TYR  16   4.940  11.351   1.156
  139    H    ALA  17           H        ALA  17   4.630   9.181  -5.944
  140    HA   ALA  17           HA       ALA  17   3.408  11.387  -4.630
  141   1HB   ALA  17          3HB       ALA  17   4.190  11.114  -7.529
  142   2HB   ALA  17          2HB       ALA  17   3.861  12.617  -6.669
  143   3HB   ALA  17          1HB       ALA  17   5.258  11.636  -6.225
  144    H    GLU  18           H        GLU  18   2.391   9.275  -7.308
  145    HA   GLU  18           HA       GLU  18  -0.060  10.639  -7.775
  146   1HB   GLU  18          2HB       GLU  18   0.832   7.837  -8.481
  147   2HB   GLU  18          1HB       GLU  18  -0.636   8.595  -9.075
  148   1HG   GLU  18          2HG       GLU  18   0.682  10.314 -10.185
  149   2HG   GLU  18          1HG       GLU  18   2.163   9.581  -9.568
  150    H    ALA  19           H        ALA  19   0.829   7.695  -6.028
  151    HA   ALA  19           HA       ALA  19  -1.627   6.784  -5.211
  152   1HB   ALA  19          2HB       ALA  19  -0.173   5.305  -4.388
  153   2HB   ALA  19          3HB       ALA  19  -0.014   6.380  -2.999
  154   3HB   ALA  19          1HB       ALA  19   1.126   6.498  -4.341
  155    H    LYS  20           H        LYS  20   0.378   9.293  -3.711
  156    HA   LYS  20           HA       LYS  20  -1.309   9.766  -1.492
  157   1HB   LYS  20          2HB       LYS  20   1.132  10.484  -1.850
  158   2HB   LYS  20          1HB       LYS  20   0.474  11.837  -2.757
  159   1HG   LYS  20          2HG       LYS  20  -0.815  12.505  -0.760
  160   2HG   LYS  20          1HG       LYS  20  -0.048  11.194   0.138
  161   1HD   LYS  20          2HD       LYS  20   2.151  12.358  -0.789
  162   2HD   LYS  20          1HD       LYS  20   1.087  13.766  -0.817
  163   1HE   LYS  20          2HE       LYS  20   1.120  13.965   1.407
  164   2HE   LYS  20          1HE       LYS  20   0.864  12.238   1.647
  165   1HZ   LYS  20          3HZ       LYS  20   3.243  11.900   1.205
  166   2HZ   LYS  20          2HZ       LYS  20   3.457  13.575   1.098
  167   3HZ   LYS  20          1HZ       LYS  20   2.973  12.876   2.560
  168    H    ALA  21           H        ALA  21  -0.911  11.593  -4.525
  169    HA   ALA  21           HA       ALA  21  -2.833  13.520  -4.132
  170   1HB   ALA  21          1HB       ALA  21  -3.095  13.501  -6.648
  171   2HB   ALA  21          2HB       ALA  21  -1.975  12.138  -6.660
  172   3HB   ALA  21          3HB       ALA  21  -1.451  13.703  -6.040
  173    H    VAL  22           H        VAL  22  -3.264  10.182  -5.147
  174    HA   VAL  22           HA       VAL  22  -6.050  10.453  -5.733
  175    HB   VAL  22           HB       VAL  22  -4.204   8.109  -5.437
  176   1HG1  VAL  22          1HG1      VAL  22  -7.198   7.983  -5.784
  177   2HG1  VAL  22          3HG1      VAL  22  -6.095   6.625  -6.001
  178   3HG1  VAL  22          2HG1      VAL  22  -6.268   7.375  -4.415
  179   1HG2  VAL  22          3HG2      VAL  22  -4.892   9.745  -7.552
  180   2HG2  VAL  22          2HG2      VAL  22  -4.120   8.164  -7.665
  181   3HG2  VAL  22          1HG2      VAL  22  -5.872   8.302  -7.806
  182    H    CYS  23           H        CYS  23  -4.290   8.839  -3.094
  183    HA   CYS  23           HA       CYS  23  -6.579   8.207  -1.586
  184   1HB   CYS  23          2HB       CYS  23  -3.662   8.451  -0.881
  185   2HB   CYS  23          1HB       CYS  23  -4.874   8.021   0.317
  186    H    GLU  24           H        GLU  24  -4.611  11.072  -1.787
  187    HA   GLU  24           HA       GLU  24  -5.930  12.279   0.522
  188   1HB   GLU  24          2HB       GLU  24  -3.448  12.544   0.069
  189   2HB   GLU  24          1HB       GLU  24  -3.887  13.548  -1.307
  190   1HG   GLU  24          2HG       GLU  24  -4.751  15.236   0.043
  191   2HG   GLU  24          1HG       GLU  24  -4.885  14.174   1.443
  192    H    PHE  25           H        PHE  25  -6.338  11.962  -2.777
  193    HA   PHE  25           HA       PHE  25  -7.294  14.401  -3.662
  194   1HB   PHE  25          2HB       PHE  25  -7.024  11.943  -4.749
  195   2HB   PHE  25          1HB       PHE  25  -8.770  12.001  -4.556
  196    HD1  PHE  25           HD1      PHE  25  -5.899  13.851  -5.985
  197    HD2  PHE  25           HD2      PHE  25 -10.090  13.137  -6.109
  198    HE1  PHE  25           HE1      PHE  25  -6.053  15.171  -8.052
  199    HE2  PHE  25           HE2      PHE  25 -10.257  14.459  -8.178
  200    HZ   PHE  25           HZ       PHE  25  -8.238  15.479  -9.153
  201    H    GLU  26           H        GLU  26  -8.975  11.840  -1.911
  202    HA   GLU  26           HA       GLU  26 -11.327  13.588  -1.675
  203   1HB   GLU  26          2HB       GLU  26 -11.216  10.639  -1.063
  204   2HB   GLU  26          1HB       GLU  26 -12.644  11.639  -1.296
  205   1HG   GLU  26          2HG       GLU  26 -12.030  11.954  -3.641
  206   2HG   GLU  26          1HG       GLU  26 -10.621  10.923  -3.403
  207    H    GLY  27           H        GLY  27  -9.597  14.561  -0.080
  208   1HA   GLY  27          1HA       GLY  27 -10.631  14.458   2.468
  209   2HA   GLY  27          2HA       GLY  27  -9.013  15.030   2.090
  210    H    GLY  28           H        GLY  28  -8.473  12.216   0.986
  211   1HA   GLY  28          2HA       GLY  28  -8.037  10.069   1.882
  212   2HA   GLY  28          1HA       GLY  28  -8.401  10.692   3.487
  213    H    HIS  29           H        HIS  29  -6.216   9.195   3.378
  214    HA   HIS  29           HA       HIS  29  -3.875  10.787   2.797
  215   1HB   HIS  29          2HB       HIS  29  -3.538   9.962   5.512
  216   2HB   HIS  29          1HB       HIS  29  -3.481  11.590   4.844
  217    HD1  HIS  29           HD1      HIS  29  -5.799  12.906   4.805
  218    HD2  HIS  29           HD2      HIS  29  -5.745   9.402   7.039
  219    HE1  HIS  29           HE1      HIS  29  -7.830  13.019   6.281
  220    HE2  HIS  29           HE2      HIS  29  -7.826  10.848   7.558
  221    H    LEU  30           H        LEU  30  -2.127   9.542   2.398
  222    HA   LEU  30           HA       LEU  30  -2.307   6.879   1.845
  223   1HB   LEU  30          2HB       LEU  30  -0.303   8.837   1.858
  224   2HB   LEU  30          1HB       LEU  30   0.343   7.502   2.791
  225    HG   LEU  30           HG       LEU  30  -0.829   7.156   0.044
  226   1HD1  LEU  30          2HD1      LEU  30   1.479   8.574   0.646
  227   2HD1  LEU  30          1HD1      LEU  30   2.052   6.965   0.198
  228   3HD1  LEU  30          3HD1      LEU  30   1.039   7.885  -0.916
  229   1HD2  LEU  30          3HD2      LEU  30   0.117   5.379   2.078
  230   2HD2  LEU  30          2HD2      LEU  30  -0.570   4.998   0.498
  231   3HD2  LEU  30          1HD2      LEU  30   1.165   5.266   0.662
  232    H    ALA  31           H        ALA  31  -2.072   4.988   2.905
  233    HA   ALA  31           HA       ALA  31  -2.251   5.016   5.772
  234   1HB   ALA  31          1HB       ALA  31  -2.891   3.192   3.679
  235   2HB   ALA  31          3HB       ALA  31  -1.827   2.377   4.826
  236   3HB   ALA  31          2HB       ALA  31  -3.331   3.111   5.385
  237    H    THR  32           H        THR  32  -0.814   3.489   7.065
  238    HA   THR  32           HA       THR  32   1.969   3.740   6.119
  239    HB   THR  32           HB       THR  32   2.700   3.978   8.413
  240    HG1  THR  32           HG1      THR  32   1.148   2.771   9.506
  241   1HG2  THR  32          3HG2      THR  32   0.524   5.826   7.496
  242   2HG2  THR  32          2HG2      THR  32   1.379   6.108   9.013
  243   3HG2  THR  32          1HG2      THR  32   2.270   6.074   7.491
  244    H    TYR  33           H        TYR  33   3.347   2.262   7.800
  245    HA   TYR  33           HA       TYR  33   2.745  -0.410   7.025
  246   1HB   TYR  33          2HB       TYR  33   5.051   0.211   7.295
  247   2HB   TYR  33          1HB       TYR  33   4.775   0.728   8.952
  248    HD1  TYR  33           HD1      TYR  33   4.341  -2.352   6.871
  249    HD2  TYR  33           HD2      TYR  33   5.483  -0.692  10.619
  250    HE1  TYR  33           HE1      TYR  33   4.945  -4.592   7.670
  251    HE2  TYR  33           HE2      TYR  33   6.096  -2.932  11.429
  252    HH   TYR  33           HH       TYR  33   5.176  -5.514  10.567
  253    H    LYS  34           H        LYS  34   3.238   0.870  10.287
  254    HA   LYS  34           HA       LYS  34   2.133  -1.147  11.747
  255   1HB   LYS  34          2HB       LYS  34   1.855   1.805  12.336
  256   2HB   LYS  34          1HB       LYS  34   1.676   0.506  13.504
  257   1HG   LYS  34          2HG       LYS  34   4.088  -0.121  12.857
  258   2HG   LYS  34          1HG       LYS  34   4.157   1.502  12.165
  259   1HD   LYS  34          2HD       LYS  34   3.138   2.125  14.546
  260   2HD   LYS  34          1HD       LYS  34   3.988   0.646  15.000
  261   1HE   LYS  34          2HE       LYS  34   5.878   1.804  15.103
  262   2HE   LYS  34          1HE       LYS  34   5.750   2.113  13.371
  263   1HZ   LYS  34          3HZ       LYS  34   4.154   3.989  14.164
  264   2HZ   LYS  34          2HZ       LYS  34   4.995   3.836  15.624
  265   3HZ   LYS  34          1HZ       LYS  34   5.829   4.226  14.205
  266    H    GLN  35           H        GLN  35   0.425   1.545  10.192
  267    HA   GLN  35           HA       GLN  35  -2.133   0.924  11.200
  268   1HB   GLN  35          2HB       GLN  35  -1.287   2.390   8.699
  269   2HB   GLN  35          1HB       GLN  35  -2.939   2.316   9.286
  270   1HG   GLN  35          2HG       GLN  35  -2.301   3.461  11.321
  271   2HG   GLN  35          1HG       GLN  35  -0.616   3.473  10.805
  272   1HE2  GLN  35          1HE2      GLN  35  -1.883   5.794  11.483
  273   2HE2  GLN  35          2HE2      GLN  35  -2.111   6.769  10.075
  274    H    LEU  36           H        LEU  36  -0.587   0.168   8.085
  275    HA   LEU  36           HA       LEU  36  -2.705  -1.345   7.035
  276   1HB   LEU  36          2HB       LEU  36  -0.179  -0.575   6.182
  277   2HB   LEU  36          1HB       LEU  36  -0.070  -2.321   6.263
  278    HG   LEU  36           HG       LEU  36  -0.756  -1.277   4.031
  279   1HD1  LEU  36          2HD1      LEU  36  -1.670  -3.638   5.398
  280   2HD1  LEU  36          1HD1      LEU  36  -2.874  -3.080   4.236
  281   3HD1  LEU  36          3HD1      LEU  36  -1.227  -3.420   3.705
  282   1HD2  LEU  36          2HD2      LEU  36  -3.321  -0.929   5.573
  283   2HD2  LEU  36          1HD2      LEU  36  -2.352   0.339   4.823
  284   3HD2  LEU  36          3HD2      LEU  36  -3.186  -0.846   3.818
  285    H    GLU  37           H        GLU  37  -0.386  -2.009   9.462
  286    HA   GLU  37           HA       GLU  37  -0.491  -4.864   9.339
  287   1HB   GLU  37          2HB       GLU  37   1.390  -3.600  10.361
  288   2HB   GLU  37          1HB       GLU  37   0.308  -3.079  11.642
  289   1HG   GLU  37          2HG       GLU  37  -0.067  -5.679  11.889
  290   2HG   GLU  37          1HG       GLU  37   1.534  -5.732  11.154
  291    H    ALA  38           H        ALA  38  -1.703  -2.563  11.751
  292    HA   ALA  38           HA       ALA  38  -3.330  -4.367  13.119
  293   1HB   ALA  38          2HB       ALA  38  -3.115  -2.527  14.404
  294   2HB   ALA  38          1HB       ALA  38  -3.037  -1.440  13.018
  295   3HB   ALA  38          3HB       ALA  38  -4.598  -2.032  13.590
  296    H    ALA  39           H        ALA  39  -3.690  -3.057  10.042
  297    HA   ALA  39           HA       ALA  39  -6.603  -3.346  10.013
  298   1HB   ALA  39          1HB       ALA  39  -4.754  -2.453   7.801
  299   2HB   ALA  39          3HB       ALA  39  -6.514  -2.347   7.812
  300   3HB   ALA  39          2HB       ALA  39  -5.565  -1.368   8.931
  301    H    ARG  40           H        ARG  40  -3.669  -4.831   8.963
  302    HA   ARG  40           HA       ARG  40  -4.814  -6.648   7.090
  303   1HB   ARG  40          2HB       ARG  40  -2.498  -6.143   6.870
  304   2HB   ARG  40          1HB       ARG  40  -2.189  -6.514   8.560
  305   1HG   ARG  40          2HG       ARG  40  -3.106  -8.897   7.744
  306   2HG   ARG  40          1HG       ARG  40  -2.414  -8.311   6.231
  307   1HD   ARG  40          2HD       ARG  40  -0.268  -8.102   7.168
  308   2HD   ARG  40          1HD       ARG  40  -0.885  -8.231   8.814
  309    HE   ARG  40           HE       ARG  40  -0.587 -10.441   6.904
  310   1HH1  ARG  40          1HH1      ARG  40  -1.196  -9.281  10.132
  311   2HH1  ARG  40          2HH1      ARG  40  -1.039 -10.844  10.862
  312   1HH2  ARG  40          1HH2      ARG  40  -0.379 -12.503   7.856
  313   2HH2  ARG  40          2HH2      ARG  40  -0.574 -12.675   9.569
  314    H    LYS  41           H        LYS  41  -4.116  -6.651  10.520
  315    HA   LYS  41           HA       LYS  41  -4.534  -9.420  10.933
  316   1HB   LYS  41          2HB       LYS  41  -4.926  -7.291  13.022
  317   2HB   LYS  41          1HB       LYS  41  -4.410  -8.956  13.252
  318   1HG   LYS  41          2HG       LYS  41  -2.371  -8.271  11.818
  319   2HG   LYS  41          1HG       LYS  41  -2.853  -6.623  12.225
  320   1HD   LYS  41          2HD       LYS  41  -1.528  -6.960  14.019
  321   2HD   LYS  41          1HD       LYS  41  -2.958  -7.767  14.664
  322   1HE   LYS  41          2HE       LYS  41  -2.041  -9.893  13.618
  323   2HE   LYS  41          1HE       LYS  41  -0.534  -9.006  13.390
  324   1HZ   LYS  41          2HZ       LYS  41  -1.461  -8.697  16.044
  325   2HZ   LYS  41          1HZ       LYS  41  -1.364 -10.342  15.663
  326   3HZ   LYS  41          3HZ       LYS  41  -0.001  -9.353  15.497
  327    H    ILE  42           H        ILE  42  -6.679  -6.852  10.331
  328    HA   ILE  42           HA       ILE  42  -8.927  -8.109  11.690
  329    HB   ILE  42           HB       ILE  42 -10.196  -6.200  11.135
  330   1HG1  ILE  42          2HG1      ILE  42  -8.248  -4.797   9.464
  331   2HG1  ILE  42          1HG1      ILE  42  -8.842  -6.281   8.731
  332   1HG2  ILE  42          2HG2      ILE  42  -7.343  -5.493  11.758
  333   2HG2  ILE  42          1HG2      ILE  42  -8.627  -4.283  11.727
  334   3HG2  ILE  42          3HG2      ILE  42  -8.710  -5.629  12.865
  335   1HD1  ILE  42          1HD1      ILE  42 -11.173  -5.417   9.237
  336   2HD1  ILE  42          3HD1      ILE  42 -10.403  -3.865   9.569
  337   3HD1  ILE  42          2HD1      ILE  42 -10.268  -4.592   7.968
  338    H    GLY  43           H        GLY  43  -7.421  -8.089   8.619
  339   1HA   GLY  43          1HA       GLY  43  -9.834  -9.165   7.319
  340   2HA   GLY  43          2HA       GLY  43  -8.350 -10.108   7.318
  341    H    PHE  44           H        PHE  44  -7.069  -7.214   7.178
  342    HA   PHE  44           HA       PHE  44  -7.686  -6.457   4.463
  343   1HB   PHE  44          2HB       PHE  44  -6.989  -4.899   6.396
  344   2HB   PHE  44          1HB       PHE  44  -5.348  -5.434   6.055
  345    HD1  PHE  44           HD1      PHE  44  -6.915  -5.544   3.004
  346    HD2  PHE  44           HD2      PHE  44  -5.498  -2.721   5.857
  347    HE1  PHE  44           HE1      PHE  44  -6.734  -3.849   1.230
  348    HE2  PHE  44           HE2      PHE  44  -5.317  -1.021   4.088
  349    HZ   PHE  44           HZ       PHE  44  -5.936  -1.584   1.773
  350    H    HIS  45           H        HIS  45  -6.901  -7.489   2.766
  351    HA   HIS  45           HA       HIS  45  -4.115  -8.413   2.821
  352   1HB   HIS  45          2HB       HIS  45  -5.534 -10.366   3.248
  353   2HB   HIS  45          1HB       HIS  45  -6.475 -10.013   1.806
  354    HD1  HIS  45           HD1      HIS  45  -4.853 -12.681   2.354
  355    HD2  HIS  45           HD2      HIS  45  -3.636  -9.520  -0.054
  356    HE1  HIS  45           HE1      HIS  45  -3.207 -13.668   0.730
  357    HE2  HIS  45           HE2      HIS  45  -2.433 -11.725  -0.673
  358    H    VAL  46           H        VAL  46  -2.987  -7.763   1.097
  359    HA   VAL  46           HA       VAL  46  -4.354  -7.306  -1.443
  360    HB   VAL  46           HB       VAL  46  -2.450  -5.170  -0.625
  361   1HG1  VAL  46          1HG1      VAL  46  -4.038  -5.676  -2.822
  362   2HG1  VAL  46          3HG1      VAL  46  -4.932  -4.436  -1.943
  363   3HG1  VAL  46          2HG1      VAL  46  -3.263  -4.142  -2.431
  364   1HG2  VAL  46          1HG2      VAL  46  -5.299  -5.331   0.342
  365   2HG2  VAL  46          3HG2      VAL  46  -3.838  -5.208   1.323
  366   3HG2  VAL  46          2HG2      VAL  46  -4.345  -3.845   0.320
  367    H    CYS  47           H        CYS  47  -3.249  -8.794  -2.593
  368    HA   CYS  47           HA       CYS  47  -0.424  -9.200  -2.269
  369   1HB   CYS  47          2HB       CYS  47  -1.906 -11.063  -2.872
  370   2HB   CYS  47          1HB       CYS  47  -2.324 -10.252  -4.378
  371    H    ALA  48           H        ALA  48  -0.213  -6.740  -2.689
  372    HA   ALA  48           HA       ALA  48   1.079  -6.412  -5.193
  373   1HB   ALA  48          3HB       ALA  48  -1.371  -6.210  -5.815
  374   2HB   ALA  48          1HB       ALA  48  -0.325  -4.873  -6.297
  375   3HB   ALA  48          2HB       ALA  48  -1.378  -4.706  -4.892
  376    H    ALA  49           H        ALA  49   2.700  -5.048  -4.834
  377    HA   ALA  49           HA       ALA  49   3.321  -3.820  -2.500
  378   1HB   ALA  49          2HB       ALA  49   5.140  -3.314  -3.666
  379   2HB   ALA  49          1HB       ALA  49   4.300  -3.732  -5.159
  380   3HB   ALA  49          3HB       ALA  49   4.243  -2.079  -4.548
  381    H    GLY  50           H        GLY  50   2.259  -2.397  -1.296
  382   1HA   GLY  50          2HA       GLY  50   0.249  -0.994  -1.126
  383   2HA   GLY  50          1HA       GLY  50   0.701  -0.299  -2.674
  384    H    TRP  51           H        TRP  51   1.519   1.668  -2.533
  385    HA   TRP  51           HA       TRP  51   3.712   2.412  -1.026
  386   1HB   TRP  51          2HB       TRP  51   1.506   3.990  -2.312
  387   2HB   TRP  51          1HB       TRP  51   2.763   4.802  -1.380
  388    HD1  TRP  51           HD1      TRP  51   2.057   3.431  -4.763
  389    HE1  TRP  51           HE1      TRP  51   4.180   3.550  -6.224
  390    HE3  TRP  51           HE3      TRP  51   5.483   4.532  -1.135
  391    HZ2  TRP  51           HZ2      TRP  51   6.938   4.052  -5.880
  392    HZ3  TRP  51           HZ3      TRP  51   7.841   4.816  -1.779
  393    HH2  TRP  51           HH2      TRP  51   8.552   4.580  -4.104
  394    H    MET  52           H        MET  52   4.010   3.613   0.839
  395    HA   MET  52           HA       MET  52   1.885   4.436   2.537
  396   1HB   MET  52          2HB       MET  52   2.997   2.688   4.340
  397   2HB   MET  52          1HB       MET  52   1.459   2.460   3.522
  398   1HG   MET  52          2HG       MET  52   2.251   0.826   2.189
  399   2HG   MET  52          1HG       MET  52   3.853   1.550   2.066
  400   1HE   MET  52          3HE       MET  52   1.404  -0.555   3.736
  401   2HE   MET  52          2HE       MET  52   2.513  -1.871   3.357
  402   3HE   MET  52          1HE       MET  52   2.217  -1.424   5.037
  403    H    ALA  53           H        ALA  53   2.865   4.915   4.833
  404    HA   ALA  53           HA       ALA  53   4.284   6.284   5.980
  405   1HB   ALA  53          1HB       ALA  53   6.660   5.048   4.728
  406   2HB   ALA  53          3HB       ALA  53   6.282   5.319   6.429
  407   3HB   ALA  53          2HB       ALA  53   5.539   3.974   5.564
  408    H    LYS  54           H        LYS  54   6.769   7.318   5.445
  409    HA   LYS  54           HA       LYS  54   6.138   9.513   3.782
  410   1HB   LYS  54          2HB       LYS  54   8.169   8.821   5.640
  411   2HB   LYS  54          1HB       LYS  54   8.965   9.313   4.152
  412   1HG   LYS  54          2HG       LYS  54   6.800  11.100   4.898
  413   2HG   LYS  54          1HG       LYS  54   8.048  10.978   6.138
  414   1HD   LYS  54          2HD       LYS  54   9.304  12.378   4.956
  415   2HD   LYS  54          1HD       LYS  54   9.392  11.170   3.673
  416   1HE   LYS  54          2HE       LYS  54   6.889  12.326   3.361
  417   2HE   LYS  54          1HE       LYS  54   7.946  13.680   3.761
  418   1HZ   LYS  54          2HZ       LYS  54   9.438  12.945   1.969
  419   2HZ   LYS  54          1HZ       LYS  54   8.332  11.734   1.551
  420   3HZ   LYS  54          3HZ       LYS  54   7.902  13.364   1.399
  421    H    GLY  55           H        GLY  55   6.911   6.446   2.874
  422   1HA   GLY  55          1HA       GLY  55   8.662   7.105   0.658
  423   2HA   GLY  55          2HA       GLY  55   7.000   6.748   0.203
  424    H    ARG  56           H        ARG  56   7.103   4.898   2.721
  425    HA   ARG  56           HA       ARG  56   8.785   2.749   1.723
  426   1HB   ARG  56          2HB       ARG  56   7.468   3.414   4.252
  427   2HB   ARG  56          1HB       ARG  56   7.351   1.710   3.835
  428   1HG   ARG  56          2HG       ARG  56   9.717   1.486   3.743
  429   2HG   ARG  56          1HG       ARG  56   9.944   3.232   3.873
  430   1HD   ARG  56          2HD       ARG  56   9.631   3.240   6.107
  431   2HD   ARG  56          1HD       ARG  56   8.389   1.991   6.042
  432    HE   ARG  56           HE       ARG  56  10.715   0.680   5.466
  433   1HH1  ARG  56          2HH1      ARG  56   9.592   2.678   8.088
  434   2HH1  ARG  56          1HH1      ARG  56  10.564   1.884   9.281
  435   1HH2  ARG  56          1HH2      ARG  56  12.001  -0.372   7.027
  436   2HH2  ARG  56          2HH2      ARG  56  11.935   0.150   8.678
  437    H    VAL  57           H        VAL  57   8.092   1.155   0.455
  438    HA   VAL  57           HA       VAL  57   5.188   0.680   0.267
  439    HB   VAL  57           HB       VAL  57   5.491   1.473  -1.841
  440   1HG1  VAL  57          1HG1      VAL  57   8.349   0.751  -1.423
  441   2HG1  VAL  57          3HG1      VAL  57   7.761   0.996  -3.067
  442   3HG1  VAL  57          2HG1      VAL  57   7.631   2.294  -1.882
  443   1HG2  VAL  57          3HG2      VAL  57   5.138  -1.124  -1.833
  444   2HG2  VAL  57          2HG2      VAL  57   5.423  -0.261  -3.345
  445   3HG2  VAL  57          1HG2      VAL  57   6.743  -1.133  -2.565
  446    H    GLY  58           H        GLY  58   4.643  -1.254   1.008
  447   1HA   GLY  58          2HA       GLY  58   5.627  -3.270   2.125
  448   2HA   GLY  58          1HA       GLY  58   6.553  -3.481   0.646
  449    H    TYR  59           H        TYR  59   5.081  -5.577   1.493
  450    HA   TYR  59           HA       TYR  59   2.554  -5.507   0.019
  451   1HB   TYR  59          2HB       TYR  59   3.926  -7.990  -0.543
  452   2HB   TYR  59          1HB       TYR  59   3.208  -6.833  -1.661
  453    HD1  TYR  59           HD1      TYR  59   4.598  -4.798  -2.326
  454    HD2  TYR  59           HD2      TYR  59   6.252  -8.202  -0.383
  455    HE1  TYR  59           HE1      TYR  59   6.839  -4.143  -3.099
  456    HE2  TYR  59           HE2      TYR  59   8.496  -7.558  -1.152
  457    HH   TYR  59           HH       TYR  59   9.167  -4.499  -2.512
  458    HA   PRO  60           HA       PRO  60   1.934  -7.895   3.841
  459   1HB   PRO  60          2HB       PRO  60  -0.511  -6.939   4.392
  460   2HB   PRO  60          1HB       PRO  60   0.949  -6.012   4.740
  461   1HG   PRO  60          2HG       PRO  60  -1.001  -5.715   2.507
  462   2HG   PRO  60          1HG       PRO  60  -0.130  -4.466   3.410
  463   1HD   PRO  60          1HD       PRO  60   0.580  -5.422   0.900
  464   2HD   PRO  60          2HD       PRO  60   1.662  -4.562   2.012
  465    H    ILE  61           H        ILE  61   1.191  -9.929   3.829
  466    HA   ILE  61           HA       ILE  61  -1.153 -10.579   2.179
  467    HB   ILE  61           HB       ILE  61   1.329 -12.295   2.305
  468   1HG1  ILE  61          1HG1      ILE  61   1.587 -10.131   1.024
  469   2HG1  ILE  61          2HG1      ILE  61   1.843 -11.595   0.080
  470   1HG2  ILE  61          1HG2      ILE  61  -0.907 -13.415   2.002
  471   2HG2  ILE  61          3HG2      ILE  61  -1.041 -12.552   0.470
  472   3HG2  ILE  61          2HG2      ILE  61   0.271 -13.703   0.721
  473   1HD1  ILE  61          3HD1      ILE  61  -0.840 -11.094  -0.252
  474   2HD1  ILE  61          2HD1      ILE  61  -0.113  -9.486  -0.251
  475   3HD1  ILE  61          1HD1      ILE  61   0.447 -10.706  -1.394
  476    H    VAL  62           H        VAL  62  -2.626 -11.138   3.662
  477    HA   VAL  62           HA       VAL  62  -2.042 -12.232   6.198
  478    HB   VAL  62           HB       VAL  62  -4.682 -12.518   4.775
  479   1HG1  VAL  62          1HG1      VAL  62  -3.869 -12.347   7.670
  480   2HG1  VAL  62          3HG1      VAL  62  -5.540 -12.235   7.115
  481   3HG1  VAL  62          2HG1      VAL  62  -4.614 -13.710   6.837
  482   1HG2  VAL  62          1HG2      VAL  62  -3.773 -10.186   4.615
  483   2HG2  VAL  62          3HG2      VAL  62  -5.305 -10.329   5.478
  484   3HG2  VAL  62          2HG2      VAL  62  -3.801 -10.125   6.378
  485    H    LYS  63           H        LYS  63  -3.198 -13.716   3.187
  486    HA   LYS  63           HA       LYS  63  -2.518 -16.348   4.328
  487   1HB   LYS  63          2HB       LYS  63  -4.181 -17.061   2.369
  488   2HB   LYS  63          1HB       LYS  63  -4.748 -16.661   3.984
  489   1HG   LYS  63          2HG       LYS  63  -4.734 -14.217   2.763
  490   2HG   LYS  63          1HG       LYS  63  -5.199 -15.298   1.446
  491   1HD   LYS  63          2HD       LYS  63  -6.919 -16.277   3.002
  492   2HD   LYS  63          1HD       LYS  63  -6.546 -14.965   4.119
  493   1HE   LYS  63          2HE       LYS  63  -6.953 -13.709   1.673
  494   2HE   LYS  63          1HE       LYS  63  -8.194 -14.958   1.743
  495   1HZ   LYS  63          1HZ       LYS  63  -7.700 -12.967   3.888
  496   2HZ   LYS  63          3HZ       LYS  63  -8.901 -12.823   2.705
  497   3HZ   LYS  63          2HZ       LYS  63  -8.962 -14.090   3.823
  498    HA   PRO  64           HA       PRO  64   0.623 -15.740   1.051
  499   1HB   PRO  64          2HB       PRO  64   1.621 -18.202   2.369
  500   2HB   PRO  64          1HB       PRO  64   2.481 -16.716   1.963
  501   1HG   PRO  64          2HG       PRO  64   1.813 -17.288   4.487
  502   2HG   PRO  64          1HG       PRO  64   1.776 -15.627   3.874
  503   1HD   PRO  64          2HD       PRO  64  -0.481 -17.507   4.398
  504   2HD   PRO  64          1HD       PRO  64  -0.402 -15.747   4.613
  505    H    GLY  65           H        GLY  65   0.749 -16.691  -0.920
  506   1HA   GLY  65          2HA       GLY  65  -0.739 -17.968  -2.433
  507   2HA   GLY  65          1HA       GLY  65  -0.662 -19.267  -1.253
  508    HA   PRO  66           HA       PRO  66   2.637 -20.488  -4.056
  509   1HB   PRO  66          2HB       PRO  66   2.123 -20.046  -6.656
  510   2HB   PRO  66          1HB       PRO  66   1.169 -21.176  -5.691
  511   1HG   PRO  66          2HG       PRO  66   0.478 -18.452  -6.634
  512   2HG   PRO  66          1HG       PRO  66  -0.574 -19.837  -6.342
  513   1HD   PRO  66          2HD       PRO  66  -0.150 -17.632  -4.640
  514   2HD   PRO  66          1HD       PRO  66  -0.994 -19.135  -4.251
  515    H    ASN  67           H        ASN  67   2.065 -17.899  -6.377
  516    HA   ASN  67           HA       ASN  67   4.783 -16.915  -5.853
  517   1HB   ASN  67          2HB       ASN  67   4.145 -15.728  -8.182
  518   2HB   ASN  67          1HB       ASN  67   4.858 -17.335  -8.090
  519   1HD2  ASN  67          2HD2      ASN  67   3.340 -19.159  -8.050
  520   2HD2  ASN  67          1HD2      ASN  67   1.888 -19.037  -8.976
  521    H    CYS  68           H        CYS  68   1.497 -16.119  -5.527
  522    HA   CYS  68           HA       CYS  68   1.669 -13.293  -5.751
  523   1HB   CYS  68          2HB       CYS  68  -0.392 -15.046  -5.571
  524   2HB   CYS  68          1HB       CYS  68  -0.365 -14.419  -3.926
  525    H    GLY  69           H        GLY  69   1.879 -15.540  -3.031
  526   1HA   GLY  69          1HA       GLY  69   2.044 -14.864  -0.729
  527   2HA   GLY  69          2HA       GLY  69   2.606 -13.290  -1.276
  528    H    PHE  70           H        PHE  70   3.868 -16.107  -2.818
  529    HA   PHE  70           HA       PHE  70   5.940 -17.036  -2.888
  530   1HB   PHE  70          2HB       PHE  70   6.406 -14.419  -3.003
  531   2HB   PHE  70          1HB       PHE  70   7.170 -14.734  -1.449
  532    HD1  PHE  70           HD1      PHE  70   7.088 -16.192  -4.883
  533    HD2  PHE  70           HD2      PHE  70   9.409 -15.203  -1.457
  534    HE1  PHE  70           HE1      PHE  70   9.117 -16.964  -6.041
  535    HE2  PHE  70           HE2      PHE  70  11.443 -15.972  -2.608
  536    HZ   PHE  70           HZ       PHE  70  11.299 -16.855  -4.903
  537    H    GLY  71           H        GLY  71   4.193 -17.208  -0.433
  538   1HA   GLY  71          1HA       GLY  71   5.999 -18.759   1.143
  539   2HA   GLY  71          2HA       GLY  71   4.316 -18.414   1.528
  540    H    LYS  72           H        LYS  72   5.218 -15.451   1.101
  541    HA   LYS  72           HA       LYS  72   6.841 -14.996   3.451
  542   1HB   LYS  72          2HB       LYS  72   5.460 -13.016   1.630
  543   2HB   LYS  72          1HB       LYS  72   6.657 -12.625   2.858
  544   1HG   LYS  72          2HG       LYS  72   8.329 -13.931   1.638
  545   2HG   LYS  72          1HG       LYS  72   7.126 -14.307   0.403
  546   1HD   LYS  72          2HD       LYS  72   7.172 -12.205  -0.480
  547   2HD   LYS  72          1HD       LYS  72   7.566 -11.448   1.065
  548   1HE   LYS  72          2HE       LYS  72   9.466 -13.075  -0.621
  549   2HE   LYS  72          1HE       LYS  72   9.424 -11.314  -0.542
  550   1HZ   LYS  72          2HZ       LYS  72   9.871 -11.514   1.871
  551   2HZ   LYS  72          1HZ       LYS  72  10.081 -13.179   1.669
  552   3HZ   LYS  72          3HZ       LYS  72  11.130 -12.096   0.903
  553    H    THR  73           H        THR  73   6.185 -13.810   5.289
  554    HA   THR  73           HA       THR  73   3.275 -13.703   5.719
  555    HB   THR  73           HB       THR  73   4.244 -14.072   8.236
  556    HG1  THR  73           HG1      THR  73   5.570 -16.157   7.043
  557   1HG2  THR  73          1HG2      THR  73   3.253 -16.067   6.213
  558   2HG2  THR  73          3HG2      THR  73   3.508 -16.478   7.909
  559   3HG2  THR  73          2HG2      THR  73   2.332 -15.239   7.468
  560    H    GLY  74           H        GLY  74   2.514 -11.807   6.414
  561   1HA   GLY  74          2HA       GLY  74   4.260  -9.997   7.908
  562   2HA   GLY  74          1HA       GLY  74   2.517  -9.839   7.717
  563    H    ILE  75           H        ILE  75   3.833  -7.579   7.391
  564    HA   ILE  75           HA       ILE  75   3.399  -6.964   4.612
  565    HB   ILE  75           HB       ILE  75   4.555  -5.064   6.624
  566   1HG1  ILE  75          2HG1      ILE  75   2.040  -6.432   6.817
  567   2HG1  ILE  75          1HG1      ILE  75   2.732  -5.238   7.907
  568   1HG2  ILE  75          3HG2      ILE  75   4.107  -4.730   4.009
  569   2HG2  ILE  75          2HG2      ILE  75   2.524  -4.267   4.636
  570   3HG2  ILE  75          1HG2      ILE  75   3.971  -3.424   5.190
  571   1HD1  ILE  75          3HD1      ILE  75   1.838  -3.488   6.300
  572   2HD1  ILE  75          2HD1      ILE  75   0.898  -4.798   5.584
  573   3HD1  ILE  75          1HD1      ILE  75   0.663  -4.366   7.279
  574    H    ILE  76           H        ILE  76   4.994  -7.886   3.383
  575    HA   ILE  76           HA       ILE  76   7.753  -7.815   4.039
  576    HB   ILE  76           HB       ILE  76   6.623  -8.111   1.260
  577   1HG1  ILE  76          2HG1      ILE  76   5.391  -9.686   2.545
  578   2HG1  ILE  76          1HG1      ILE  76   6.700 -10.597   1.800
  579   1HG2  ILE  76          2HG2      ILE  76   9.243  -8.269   2.405
  580   2HG2  ILE  76          1HG2      ILE  76   8.786  -9.836   1.738
  581   3HG2  ILE  76          3HG2      ILE  76   8.753  -8.400   0.715
  582   1HD1  ILE  76          3HD1      ILE  76   7.564  -9.630   4.336
  583   2HD1  ILE  76          2HD1      ILE  76   6.011 -10.447   4.516
  584   3HD1  ILE  76          1HD1      ILE  76   7.373 -11.293   3.781
  585    H    ASP  77           H        ASP  77   8.096  -5.598   4.579
  586    HA   ASP  77           HA       ASP  77   8.172  -3.774   2.269
  587   1HB   ASP  77          2HB       ASP  77   6.912  -3.323   4.603
  588   2HB   ASP  77          1HB       ASP  77   8.507  -2.705   5.019
  589    H    TYR  78           H        TYR  78  10.101  -3.329   1.451
  590    HA   TYR  78           HA       TYR  78  12.497  -4.101   2.880
  591   1HB   TYR  78          2HB       TYR  78  12.098  -2.994   0.094
  592   2HB   TYR  78          1HB       TYR  78  13.624  -3.570   0.746
  593    HD1  TYR  78           HD1      TYR  78  10.126  -4.886   0.643
  594    HD2  TYR  78           HD2      TYR  78  14.250  -5.614  -0.107
  595    HE1  TYR  78           HE1      TYR  78   9.580  -7.163  -0.105
  596    HE2  TYR  78           HE2      TYR  78  13.717  -7.893  -0.859
  597    HH   TYR  78           HH       TYR  78  11.105  -9.488  -0.187
  598    H    GLY  79           H        GLY  79  10.614  -1.370   2.719
  599   1HA   GLY  79          2HA       GLY  79  12.792   0.265   3.775
  600   2HA   GLY  79          1HA       GLY  79  11.071   0.637   3.859
  601    H    ILE  80           H        ILE  80  12.018   2.787   3.185
  602    HA   ILE  80           HA       ILE  80  11.337   3.338   0.530
  603    HB   ILE  80           HB       ILE  80  13.157   5.036   2.236
  604   1HG1  ILE  80          1HG1      ILE  80  10.213   5.487   2.168
  605   2HG1  ILE  80          2HG1      ILE  80  10.807   4.160   3.159
  606   1HG2  ILE  80          3HG2      ILE  80  11.953   5.356  -0.348
  607   2HG2  ILE  80          2HG2      ILE  80  11.343   6.583   0.762
  608   3HG2  ILE  80          1HG2      ILE  80  13.079   6.417   0.500
  609   1HD1  ILE  80          2HD1      ILE  80  12.366   6.513   3.639
  610   2HD1  ILE  80          1HD1      ILE  80  10.649   6.861   3.836
  611   3HD1  ILE  80          3HD1      ILE  80  11.396   5.559   4.761
  612    H    ARG  81           H        ARG  81  12.390   2.993  -1.306
  613    HA   ARG  81           HA       ARG  81  15.275   2.461  -1.199
  614   1HB   ARG  81          2HB       ARG  81  13.078   1.628  -3.053
  615   2HB   ARG  81          1HB       ARG  81  14.736   1.661  -3.640
  616   1HG   ARG  81          2HG       ARG  81  13.989   0.200  -1.132
  617   2HG   ARG  81          1HG       ARG  81  13.833  -0.543  -2.725
  618   1HD   ARG  81          2HD       ARG  81  16.377   0.644  -1.627
  619   2HD   ARG  81          1HD       ARG  81  15.975  -1.071  -1.588
  620    HE   ARG  81           HE       ARG  81  16.115   0.356  -4.153
  621   1HH1  ARG  81          2HH1      ARG  81  17.247  -2.133  -1.997
  622   2HH1  ARG  81          1HH1      ARG  81  18.204  -2.924  -3.204
  623   1HH2  ARG  81          2HH2      ARG  81  17.373  -0.677  -5.751
  624   2HH2  ARG  81          1HH2      ARG  81  18.278  -2.096  -5.338
  625    H    LEU  82           H        LEU  82  13.645   5.107  -1.423
  626    HA   LEU  82           HA       LEU  82  13.857   7.129  -2.446
  627   1HB   LEU  82          2HB       LEU  82  16.348   6.266  -1.848
  628   2HB   LEU  82          1HB       LEU  82  16.505   6.475  -3.580
  629    HG   LEU  82           HG       LEU  82  17.242   8.448  -2.275
  630   1HD1  LEU  82          1HD1      LEU  82  16.203   8.498  -4.632
  631   2HD1  LEU  82          3HD1      LEU  82  14.804   9.217  -3.833
  632   3HD1  LEU  82          2HD1      LEU  82  16.373  10.017  -3.752
  633   1HD2  LEU  82          3HD2      LEU  82  15.539   8.181  -0.471
  634   2HD2  LEU  82          2HD2      LEU  82  15.680   9.822  -1.103
  635   3HD2  LEU  82          1HD2      LEU  82  14.330   8.800  -1.596
  636    H    ASN  83           H        ASN  83  12.388   5.453  -3.951
  637    HA   ASN  83           HA       ASN  83  13.001   6.366  -6.642
  638   1HB   ASN  83          2HB       ASN  83  13.880   3.899  -6.053
  639   2HB   ASN  83          1HB       ASN  83  12.218   3.505  -6.483
  640   1HD2  ASN  83          1HD2      ASN  83  11.572   5.002  -8.516
  641   2HD2  ASN  83          2HD2      ASN  83  12.644   4.797  -9.854
  642    H    ARG  84           H        ARG  84  11.079   7.527  -5.375
  643    HA   ARG  84           HA       ARG  84   8.574   6.295  -5.216
  644   1HB   ARG  84          2HB       ARG  84   9.066   9.203  -5.849
  645   2HB   ARG  84          1HB       ARG  84   7.667   8.503  -5.052
  646   1HG   ARG  84          2HG       ARG  84   8.649   8.508  -3.049
  647   2HG   ARG  84          1HG       ARG  84  10.190   7.945  -3.698
  648   1HD   ARG  84          2HD       ARG  84   9.355  10.729  -4.308
  649   2HD   ARG  84          1HD       ARG  84   9.900  10.371  -2.670
  650    HE   ARG  84           HE       ARG  84  12.041  10.004  -3.477
  651   1HH1  ARG  84          1HH1      ARG  84   9.805  10.511  -6.099
  652   2HH1  ARG  84          2HH1      ARG  84  11.046  10.725  -7.288
  653   1HH2  ARG  84          2HH2      ARG  84  13.682  10.284  -5.036
  654   2HH2  ARG  84          1HH2      ARG  84  13.249  10.596  -6.684
  655    H    SER  85           H        SER  85  10.425   6.965  -7.924
  656    HA   SER  85           HA       SER  85   8.277   7.548  -9.750
  657   1HB   SER  85          2HB       SER  85  11.193   6.871 -10.156
  658   2HB   SER  85          1HB       SER  85  10.082   7.169 -11.492
  659    HG   SER  85           HG       SER  85   9.814   9.138  -9.726
  660    H    GLU  86           H        GLU  86   8.632   4.932  -8.071
  661    HA   GLU  86           HA       GLU  86   8.724   2.885 -10.091
  662   1HB   GLU  86          2HB       GLU  86   8.285   2.941  -7.129
  663   2HB   GLU  86          1HB       GLU  86   7.868   1.495  -8.038
  664   1HG   GLU  86          2HG       GLU  86  10.519   2.543  -8.659
  665   2HG   GLU  86          1HG       GLU  86  10.319   2.058  -6.976
  666    H    ARG  87           H        ARG  87   6.809   1.140  -9.729
  667    HA   ARG  87           HA       ARG  87   4.251   2.574  -9.836
  668   1HB   ARG  87          2HB       ARG  87   4.790   0.367 -11.785
  669   2HB   ARG  87          1HB       ARG  87   3.603   1.660 -11.867
  670   1HG   ARG  87          2HG       ARG  87   5.641   3.222 -12.078
  671   2HG   ARG  87          1HG       ARG  87   6.529   1.751 -12.476
  672   1HD   ARG  87          2HD       ARG  87   5.877   2.123 -14.579
  673   2HD   ARG  87          1HD       ARG  87   4.297   1.543 -14.053
  674    HE   ARG  87           HE       ARG  87   4.800   4.379 -13.697
  675   1HH1  ARG  87          1HH1      ARG  87   3.432   1.864 -15.678
  676   2HH1  ARG  87          2HH1      ARG  87   2.368   2.934 -16.529
  677   1HH2  ARG  87          1HH2      ARG  87   3.404   5.797 -14.810
  678   2HH2  ARG  87          2HH2      ARG  87   2.352   5.171 -16.036
  679    H    TRP  88           H        TRP  88   2.961   1.748  -8.378
  680    HA   TRP  88           HA       TRP  88   2.613  -1.129  -8.159
  681   1HB   TRP  88          2HB       TRP  88   3.105   0.430  -5.627
  682   2HB   TRP  88          1HB       TRP  88   3.067  -1.315  -5.849
  683    HD1  TRP  88           HD1      TRP  88   5.414   1.567  -5.712
  684    HE1  TRP  88           HE1      TRP  88   7.808   0.784  -6.251
  685    HE3  TRP  88           HE3      TRP  88   4.360  -3.113  -7.478
  686    HZ2  TRP  88           HZ2      TRP  88   9.079  -1.516  -7.285
  687    HZ3  TRP  88           HZ3      TRP  88   6.219  -4.542  -8.220
  688    HH2  TRP  88           HH2      TRP  88   8.530  -3.759  -8.125
  689    H    ASP  89           H        ASP  89   1.396  -0.253  -5.397
  690    HA   ASP  89           HA       ASP  89  -1.138   0.734  -6.533
  691   1HB   ASP  89          2HB       ASP  89  -0.890  -0.909  -4.012
  692   2HB   ASP  89          1HB       ASP  89  -2.343  -0.567  -4.948
  693    H    ALA  90           H        ALA  90  -2.460   1.289  -4.177
  694    HA   ALA  90           HA       ALA  90  -0.773   3.100  -2.642
  695   1HB   ALA  90          3HB       ALA  90  -1.447   4.501  -4.480
  696   2HB   ALA  90          1HB       ALA  90  -2.300   5.008  -3.022
  697   3HB   ALA  90          2HB       ALA  90  -3.139   4.056  -4.247
  698    H    TYR  91           H        TYR  91  -1.256   2.778  -0.571
  699    HA   TYR  91           HA       TYR  91  -3.805   1.600   0.169
  700   1HB   TYR  91          2HB       TYR  91  -1.203   2.090   1.577
  701   2HB   TYR  91          1HB       TYR  91  -2.655   1.778   2.518
  702    HD1  TYR  91           HD1      TYR  91  -4.022  -0.367   1.749
  703    HD2  TYR  91           HD2      TYR  91   0.106   0.300   0.962
  704    HE1  TYR  91           HE1      TYR  91  -3.695  -2.783   1.443
  705    HE2  TYR  91           HE2      TYR  91   0.443  -2.116   0.654
  706    HH   TYR  91           HH       TYR  91  -1.141  -4.122  -0.043
  707    H    CYS  92           H        CYS  92  -5.435   3.053   0.224
  708    HA   CYS  92           HA       CYS  92  -5.011   5.750   1.143
  709   1HB   CYS  92          2HB       CYS  92  -7.469   4.251   0.233
  710   2HB   CYS  92          1HB       CYS  92  -7.491   5.934   0.736
  711    H    TYR  93           H        TYR  93  -6.067   6.714   2.940
  712    HA   TYR  93           HA       TYR  93  -7.308   4.966   4.903
  713   1HB   TYR  93          2HB       TYR  93  -4.956   4.759   5.449
  714   2HB   TYR  93          1HB       TYR  93  -4.765   6.503   5.437
  715    HD1  TYR  93           HD1      TYR  93  -6.586   7.707   7.097
  716    HD2  TYR  93           HD2      TYR  93  -4.991   3.784   7.524
  717    HE1  TYR  93           HE1      TYR  93  -7.079   7.775   9.506
  718    HE2  TYR  93           HE2      TYR  93  -5.484   3.840   9.932
  719    HH   TYR  93           HH       TYR  93  -5.826   5.527  11.704
  720    H    ASN  94           H        ASN  94  -8.981   5.981   5.790
  721    HA   ASN  94           HA       ASN  94  -8.894   8.897   6.105
  722   1HB   ASN  94          2HB       ASN  94 -11.142   7.328   4.824
  723   2HB   ASN  94          1HB       ASN  94 -11.275   9.009   5.330
  724   1HD2  ASN  94          2HD2      ASN  94 -11.367  10.157   3.536
  725   2HD2  ASN  94          1HD2      ASN  94 -10.265  10.048   2.211
  726    HA   PRO  95           HA       PRO  95 -10.629   8.360  10.113
  727   1HB   PRO  95          2HB       PRO  95 -12.800  10.086  10.062
  728   2HB   PRO  95          1HB       PRO  95 -11.133  10.566  10.396
  729   1HG   PRO  95          2HG       PRO  95 -12.688  10.744   7.852
  730   2HG   PRO  95          1HG       PRO  95 -11.519  11.887   8.536
  731   1HD   PRO  95          1HD       PRO  95 -10.868  10.249   6.514
  732   2HD   PRO  95          2HD       PRO  95  -9.699  10.670   7.782
  733    H    HIS  96           H        HIS  96 -13.278   8.745   7.757
  734    HA   HIS  96           HA       HIS  96 -14.711   6.555   9.084
  735   1HB   HIS  96          2HB       HIS  96 -16.714   7.404   8.136
  736   2HB   HIS  96          1HB       HIS  96 -15.822   8.815   8.697
  737    HD1  HIS  96           HD1      HIS  96 -17.023   7.127   5.596
  738    HD2  HIS  96           HD2      HIS  96 -14.875  10.517   6.672
  739    HE1  HIS  96           HE1      HIS  96 -16.894   8.529   3.513
  740    HE2  HIS  96           HE2      HIS  96 -15.666  10.615   4.212
  741    H    ALA  97           H        ALA  97 -13.214   7.530   6.102
  742    HA   ALA  97           HA       ALA  97 -13.306   6.524   3.981
  743   1HB   ALA  97          1HB       ALA  97 -11.241   5.759   4.461
  744   2HB   ALA  97          2HB       ALA  97 -12.046   4.190   4.467
  745   3HB   ALA  97          3HB       ALA  97 -11.750   5.034   5.987
  746    H    LYS  98           H        LYS  98 -15.772   6.284   4.217
  747    HA   LYS  98           HA       LYS  98 -16.985   3.875   4.900
  748   1HB   LYS  98          2HB       LYS  98 -18.906   4.700   3.890
  749   2HB   LYS  98          1HB       LYS  98 -18.019   6.170   4.271
  750   1HG   LYS  98          2HG       LYS  98 -18.116   6.774   2.148
  751   2HG   LYS  98          1HG       LYS  98 -17.211   5.329   1.693
  752   1HD   LYS  98          2HD       LYS  98 -19.485   4.124   1.854
  753   2HD   LYS  98          1HD       LYS  98 -20.179   5.744   1.785
  754   1HE   LYS  98          2HE       LYS  98 -19.811   5.906  -0.407
  755   2HE   LYS  98          1HE       LYS  98 -18.144   5.351  -0.240
  756   1HZ   LYS  98          2HZ       LYS  98 -19.507   3.078   0.132
  757   2HZ   LYS  98          1HZ       LYS  98 -20.521   3.870  -0.965
  758   3HZ   LYS  98          3HZ       LYS  98 -18.902   3.584  -1.364

  No H/Q in entry =         758
  Start of MODEL    9
    1    H1   GLY   1          3H        GLY   1 -11.486   4.096   7.342
    2    H2   GLY   1          2H        GLY   1 -12.171   2.936   8.365
    3    H3   GLY   1          1H        GLY   1 -11.543   4.368   9.010
    4   1HA   GLY   1          2HA       GLY   1 -10.230   1.965   8.727
    5   2HA   GLY   1          1HA       GLY   1  -9.529   3.504   9.198
    6    H    VAL   2           H        VAL   2  -8.045   1.626   7.873
    7    HA   VAL   2           HA       VAL   2  -7.404   3.077   5.427
    8    HB   VAL   2           HB       VAL   2  -5.502   2.747   6.765
    9   1HG1  VAL   2          2HG1      VAL   2  -6.854   0.503   7.711
   10   2HG1  VAL   2          1HG1      VAL   2  -5.376  -0.123   6.983
   11   3HG1  VAL   2          3HG1      VAL   2  -5.285   1.104   8.245
   12   1HG2  VAL   2          1HG2      VAL   2  -5.593   1.753   4.226
   13   2HG2  VAL   2          3HG2      VAL   2  -4.126   1.993   5.176
   14   3HG2  VAL   2          2HG2      VAL   2  -4.895   0.406   5.127
   15    H    TYR   3           H        TYR   3  -7.324   2.175   3.399
   16    HA   TYR   3           HA       TYR   3  -8.056  -0.630   3.077
   17   1HB   TYR   3          2HB       TYR   3  -9.760  -0.041   1.356
   18   2HB   TYR   3          1HB       TYR   3 -10.204   0.465   2.981
   19    HD1  TYR   3           HD1      TYR   3  -9.826   2.913   3.612
   20    HD2  TYR   3           HD2      TYR   3  -9.695   1.504  -0.400
   21    HE1  TYR   3           HE1      TYR   3 -10.181   5.208   2.801
   22    HE2  TYR   3           HE2      TYR   3 -10.049   3.793  -1.222
   23    HH   TYR   3           HH       TYR   3  -9.893   6.032  -0.562
   24    H    HIS   4           H        HIS   4  -8.145  -1.055   0.545
   25    HA   HIS   4           HA       HIS   4  -5.566  -0.106  -0.448
   26   1HB   HIS   4          2HB       HIS   4  -6.057  -2.557  -0.320
   27   2HB   HIS   4          1HB       HIS   4  -7.299  -2.324  -1.546
   28    HD1  HIS   4           HD1      HIS   4  -6.558  -2.389  -3.932
   29    HD2  HIS   4           HD2      HIS   4  -3.376  -1.980  -1.293
   30    HE1  HIS   4           HE1      HIS   4  -4.487  -2.609  -5.338
   31    HE2  HIS   4           HE2      HIS   4  -2.575  -2.461  -3.704
   32    H    ARG   5           H        ARG   5  -5.319   0.425  -2.723
   33    HA   ARG   5           HA       ARG   5  -7.700   1.224  -4.176
   34   1HB   ARG   5          2HB       ARG   5  -7.153   3.141  -2.671
   35   2HB   ARG   5          1HB       ARG   5  -5.588   3.261  -3.461
   36   1HG   ARG   5          2HG       ARG   5  -6.652   4.790  -4.718
   37   2HG   ARG   5          1HG       ARG   5  -7.193   3.368  -5.612
   38   1HD   ARG   5          2HD       ARG   5  -8.689   5.130  -3.750
   39   2HD   ARG   5          1HD       ARG   5  -9.203   4.390  -5.265
   40    HE   ARG   5           HE       ARG   5  -8.972   2.923  -2.717
   41   1HH1  ARG   5          1HH1      ARG   5 -10.513   3.529  -5.781
   42   2HH1  ARG   5          2HH1      ARG   5 -11.729   2.314  -5.556
   43   1HH2  ARG   5          1HH2      ARG   5 -10.568   1.322  -2.411
   44   2HH2  ARG   5          2HH2      ARG   5 -11.760   1.061  -3.640
   45    H    GLU   6           H        GLU   6  -7.317   1.654  -6.389
   46    HA   GLU   6           HA       GLU   6  -4.629   0.902  -7.332
   47   1HB   GLU   6          2HB       GLU   6  -6.058  -0.954  -7.792
   48   2HB   GLU   6          1HB       GLU   6  -7.324   0.090  -8.419
   49   1HG   GLU   6          2HG       GLU   6  -6.022   0.601 -10.360
   50   2HG   GLU   6          1HG       GLU   6  -4.623  -0.247  -9.699
   51    H    ALA   7           H        ALA   7  -4.397   1.518  -9.744
   52    HA   ALA   7           HA       ALA   7  -4.966   4.364  -9.919
   53   1HB   ALA   7          2HB       ALA   7  -3.196   4.524 -11.354
   54   2HB   ALA   7          3HB       ALA   7  -3.475   2.931 -12.055
   55   3HB   ALA   7          1HB       ALA   7  -2.725   3.075 -10.465
   56    H    ARG   8           H        ARG   8  -5.783   5.335 -11.888
   57    HA   ARG   8           HA       ARG   8  -8.160   4.097 -12.797
   58   1HB   ARG   8          2HB       ARG   8  -6.748   6.637 -13.254
   59   2HB   ARG   8          1HB       ARG   8  -7.712   6.088 -14.618
   60   1HG   ARG   8          2HG       ARG   8  -9.165   5.851 -12.132
   61   2HG   ARG   8          1HG       ARG   8  -8.600   7.500 -12.405
   62   1HD   ARG   8          2HD       ARG   8  -9.528   7.067 -14.826
   63   2HD   ARG   8          1HD       ARG   8 -10.501   5.851 -14.000
   64    HE   ARG   8           HE       ARG   8 -10.696   8.263 -12.589
   65   1HH1  ARG   8          1HH1      ARG   8 -11.645   6.876 -15.640
   66   2HH1  ARG   8          2HH1      ARG   8 -13.052   7.872 -15.803
   67   1HH2  ARG   8          1HH2      ARG   8 -12.546   9.581 -12.796
   68   2HH2  ARG   8          2HH2      ARG   8 -13.564   9.411 -14.186
   69    H    SER   9           H        SER   9  -4.908   3.924 -13.842
   70    HA   SER   9           HA       SER   9  -5.626   2.987 -16.512
   71   1HB   SER   9          2HB       SER   9  -2.941   3.479 -15.204
   72   2HB   SER   9          1HB       SER   9  -3.146   2.885 -16.852
   73    HG   SER   9           HG       SER   9  -4.464   5.232 -16.066
   74    H    GLY  10           H        GLY  10  -4.688   1.789 -13.406
   75   1HA   GLY  10          2HA       GLY  10  -4.189  -0.889 -14.516
   76   2HA   GLY  10          1HA       GLY  10  -5.469  -0.677 -13.331
   77    H    LYS  11           H        LYS  11  -4.127  -2.332 -12.213
   78    HA   LYS  11           HA       LYS  11  -2.776  -1.220 -10.041
   79   1HB   LYS  11          2HB       LYS  11  -3.835  -3.450 -10.022
   80   2HB   LYS  11          1HB       LYS  11  -2.579  -4.046 -11.099
   81   1HG   LYS  11          2HG       LYS  11  -0.899  -3.494  -9.355
   82   2HG   LYS  11          1HG       LYS  11  -2.229  -3.069  -8.274
   83   1HD   LYS  11          2HD       LYS  11  -2.079  -5.224  -7.640
   84   2HD   LYS  11          1HD       LYS  11  -3.018  -5.522  -9.104
   85   1HE   LYS  11          2HE       LYS  11  -0.758  -5.696 -10.293
   86   2HE   LYS  11          1HE       LYS  11  -0.061  -5.821  -8.679
   87   1HZ   LYS  11          2HZ       LYS  11  -2.259  -7.599  -9.529
   88   2HZ   LYS  11          1HZ       LYS  11  -0.650  -7.965  -9.900
   89   3HZ   LYS  11          3HZ       LYS  11  -1.136  -7.825  -8.284
   90    H    TYR  12           H        TYR  12  -0.554  -1.419  -9.396
   91    HA   TYR  12           HA       TYR  12   1.672  -1.068  -9.687
   92   1HB   TYR  12          2HB       TYR  12   1.104  -3.015 -11.913
   93   2HB   TYR  12          1HB       TYR  12   2.725  -2.388 -11.630
   94    HD1  TYR  12           HD1      TYR  12   1.098  -2.557  -8.538
   95    HD2  TYR  12           HD2      TYR  12   2.959  -5.032 -11.456
   96    HE1  TYR  12           HE1      TYR  12   1.468  -4.285  -6.827
   97    HE2  TYR  12           HE2      TYR  12   3.335  -6.767  -9.753
   98    HH   TYR  12           HH       TYR  12   2.562  -6.208  -6.359
   99    H    LYS  13           H        LYS  13   0.356   1.072 -10.428
  100    HA   LYS  13           HA       LYS  13   1.945   2.119 -12.612
  101   1HB   LYS  13          2HB       LYS  13  -1.052   1.905 -12.724
  102   2HB   LYS  13          1HB       LYS  13  -0.201   3.174 -13.594
  103   1HG   LYS  13          2HG       LYS  13   1.188   0.945 -14.341
  104   2HG   LYS  13          1HG       LYS  13  -0.459   0.330 -14.196
  105   1HD   LYS  13          2HD       LYS  13  -0.651   2.811 -15.506
  106   2HD   LYS  13          1HD       LYS  13   0.693   1.951 -16.261
  107   1HE   LYS  13          2HE       LYS  13  -1.977   0.660 -15.783
  108   2HE   LYS  13          1HE       LYS  13  -1.624   1.575 -17.247
  109   1HZ   LYS  13          3HZ       LYS  13   0.413   0.024 -17.381
  110   2HZ   LYS  13          2HZ       LYS  13  -0.466  -0.972 -16.334
  111   3HZ   LYS  13          1HZ       LYS  13  -1.101  -0.569 -17.850
  112    H    LEU  14           H        LEU  14   0.820   2.392  -9.602
  113    HA   LEU  14           HA       LEU  14   0.529   5.316  -9.669
  114   1HB   LEU  14          2HB       LEU  14  -0.390   3.179  -7.813
  115   2HB   LEU  14          1HB       LEU  14  -0.057   4.761  -7.142
  116    HG   LEU  14           HG       LEU  14  -1.864   4.511  -9.516
  117   1HD1  LEU  14          3HD1      LEU  14  -2.443   2.943  -7.478
  118   2HD1  LEU  14          2HD1      LEU  14  -3.031   4.453  -6.783
  119   3HD1  LEU  14          1HD1      LEU  14  -3.692   3.869  -8.310
  120   1HD2  LEU  14          1HD2      LEU  14  -0.953   6.597  -7.840
  121   2HD2  LEU  14          3HD2      LEU  14  -2.106   6.686  -9.172
  122   3HD2  LEU  14          2HD2      LEU  14  -2.675   6.380  -7.530
  123    H    THR  15           H        THR  15   1.971   6.632  -8.743
  124    HA   THR  15           HA       THR  15   4.337   5.393  -7.508
  125    HB   THR  15           HB       THR  15   5.594   7.333  -8.135
  126    HG1  THR  15           HG1      THR  15   3.744   8.722  -9.538
  127   1HG2  THR  15          1HG2      THR  15   3.852   6.139 -10.243
  128   2HG2  THR  15          3HG2      THR  15   4.913   7.480 -10.674
  129   3HG2  THR  15          2HG2      THR  15   5.594   5.996 -10.008
  130    H    TYR  16           H        TYR  16   5.221   6.322  -5.595
  131    HA   TYR  16           HA       TYR  16   3.648   6.783  -3.493
  132   1HB   TYR  16          2HB       TYR  16   6.042   6.689  -3.219
  133   2HB   TYR  16          1HB       TYR  16   6.246   8.213  -4.076
  134    HD1  TYR  16           HD1      TYR  16   4.626   6.779  -1.036
  135    HD2  TYR  16           HD2      TYR  16   6.376  10.196  -2.875
  136    HE1  TYR  16           HE1      TYR  16   4.480   7.995   1.097
  137    HE2  TYR  16           HE2      TYR  16   6.237  11.420  -0.745
  138    HH   TYR  16           HH       TYR  16   4.374  10.782   1.624
  139    H    ALA  17           H        ALA  17   4.603   9.282  -5.808
  140    HA   ALA  17           HA       ALA  17   3.245  11.396  -4.461
  141   1HB   ALA  17          3HB       ALA  17   4.146  11.264  -7.336
  142   2HB   ALA  17          2HB       ALA  17   3.730  12.718  -6.429
  143   3HB   ALA  17          1HB       ALA  17   5.148  11.772  -5.976
  144    H    GLU  18           H        GLU  18   2.426   9.291  -7.206
  145    HA   GLU  18           HA       GLU  18  -0.046  10.568  -7.780
  146   1HB   GLU  18          2HB       GLU  18   0.987   7.804  -8.436
  147   2HB   GLU  18          1HB       GLU  18  -0.506   8.474  -9.070
  148   1HG   GLU  18          2HG       GLU  18   0.767  10.282 -10.131
  149   2HG   GLU  18          1HG       GLU  18   2.258   9.568  -9.522
  150    H    ALA  19           H        ALA  19   0.864   7.670  -5.975
  151    HA   ALA  19           HA       ALA  19  -1.625   6.729  -5.243
  152   1HB   ALA  19          2HB       ALA  19  -0.204   5.225  -4.411
  153   2HB   ALA  19          3HB       ALA  19  -0.027   6.291  -3.017
  154   3HB   ALA  19          1HB       ALA  19   1.113   6.399  -4.360
  155    H    LYS  20           H        LYS  20   0.363   9.232  -3.728
  156    HA   LYS  20           HA       LYS  20  -1.344   9.688  -1.510
  157   1HB   LYS  20          2HB       LYS  20   1.125  10.371  -1.843
  158   2HB   LYS  20          1HB       LYS  20   0.480  11.757  -2.709
  159   1HG   LYS  20          2HG       LYS  20  -0.984  11.856  -0.434
  160   2HG   LYS  20          1HG       LYS  20   0.532  11.183   0.166
  161   1HD   LYS  20          2HD       LYS  20   1.286  13.241  -1.558
  162   2HD   LYS  20          1HD       LYS  20  -0.085  13.882  -0.650
  163   1HE   LYS  20          2HE       LYS  20   1.054  13.134   1.444
  164   2HE   LYS  20          1HE       LYS  20   2.461  12.721   0.466
  165   1HZ   LYS  20          1HZ       LYS  20   2.584  15.039  -0.244
  166   2HZ   LYS  20          3HZ       LYS  20   1.264  15.424   0.742
  167   3HZ   LYS  20          2HZ       LYS  20   2.714  14.900   1.437
  168    H    ALA  21           H        ALA  21  -1.173  10.990  -4.764
  169    HA   ALA  21           HA       ALA  21  -2.900  13.181  -4.413
  170   1HB   ALA  21          1HB       ALA  21  -3.245  12.973  -6.901
  171   2HB   ALA  21          2HB       ALA  21  -2.219  11.540  -6.842
  172   3HB   ALA  21          3HB       ALA  21  -1.568  13.110  -6.373
  173    H    VAL  22           H        VAL  22  -3.498   9.786  -5.095
  174    HA   VAL  22           HA       VAL  22  -6.260  10.057  -5.688
  175    HB   VAL  22           HB       VAL  22  -4.486   7.752  -4.998
  176   1HG1  VAL  22          2HG1      VAL  22  -7.494   7.618  -5.172
  177   2HG1  VAL  22          1HG1      VAL  22  -6.412   6.226  -5.153
  178   3HG1  VAL  22          3HG1      VAL  22  -6.507   7.287  -3.747
  179   1HG2  VAL  22          1HG2      VAL  22  -6.037   8.710  -7.357
  180   2HG2  VAL  22          3HG2      VAL  22  -4.361   8.171  -7.253
  181   3HG2  VAL  22          2HG2      VAL  22  -5.672   6.991  -7.206
  182    H    CYS  23           H        CYS  23  -4.551   9.016  -2.746
  183    HA   CYS  23           HA       CYS  23  -6.880   8.715  -1.177
  184   1HB   CYS  23          2HB       CYS  23  -4.424   7.913  -0.740
  185   2HB   CYS  23          1HB       CYS  23  -4.246   9.482   0.039
  186    H    GLU  24           H        GLU  24  -4.466  11.326  -1.294
  187    HA   GLU  24           HA       GLU  24  -5.834  13.078   0.433
  188   1HB   GLU  24          2HB       GLU  24  -3.455  13.334  -0.138
  189   2HB   GLU  24          1HB       GLU  24  -3.893  13.734  -1.794
  190   1HG   GLU  24          2HG       GLU  24  -5.054  15.732  -1.005
  191   2HG   GLU  24          1HG       GLU  24  -4.609  15.331   0.653
  192    H    PHE  25           H        PHE  25  -6.401  12.178  -2.810
  193    HA   PHE  25           HA       PHE  25  -7.569  14.427  -3.929
  194   1HB   PHE  25          2HB       PHE  25  -7.253  11.798  -4.680
  195   2HB   PHE  25          1HB       PHE  25  -9.001  11.940  -4.531
  196    HD1  PHE  25           HD1      PHE  25  -6.061  13.591  -6.091
  197    HD2  PHE  25           HD2      PHE  25 -10.243  12.827  -6.269
  198    HE1  PHE  25           HE1      PHE  25  -6.155  14.648  -8.309
  199    HE2  PHE  25           HE2      PHE  25 -10.345  13.883  -8.489
  200    HZ   PHE  25           HZ       PHE  25  -8.300  14.796  -9.512
  201    H    GLU  26           H        GLU  26  -9.083  11.892  -1.973
  202    HA   GLU  26           HA       GLU  26 -11.435  13.630  -1.638
  203   1HB   GLU  26          2HB       GLU  26 -11.301  10.683  -1.022
  204   2HB   GLU  26          1HB       GLU  26 -12.735  11.685  -1.202
  205   1HG   GLU  26          2HG       GLU  26 -12.181  11.992  -3.582
  206   2HG   GLU  26          1HG       GLU  26 -10.814  10.898  -3.377
  207    H    GLY  27           H        GLY  27  -9.490  14.512  -0.147
  208   1HA   GLY  27          1HA       GLY  27 -10.408  14.485   2.453
  209   2HA   GLY  27          2HA       GLY  27  -8.779  14.952   1.990
  210    H    GLY  28           H        GLY  28  -8.145  12.299   0.909
  211   1HA   GLY  28          2HA       GLY  28  -7.843  10.068   1.716
  212   2HA   GLY  28          1HA       GLY  28  -8.208  10.643   3.339
  213    H    HIS  29           H        HIS  29  -6.200   9.351   3.759
  214    HA   HIS  29           HA       HIS  29  -3.765  10.851   3.137
  215   1HB   HIS  29          2HB       HIS  29  -3.357   9.900   5.709
  216   2HB   HIS  29          1HB       HIS  29  -3.698  11.558   5.248
  217    HD1  HIS  29           HD1      HIS  29  -6.647  11.557   4.737
  218    HD2  HIS  29           HD2      HIS  29  -4.905   9.466   7.872
  219    HE1  HIS  29           HE1      HIS  29  -8.478  11.241   6.431
  220    HE2  HIS  29           HE2      HIS  29  -7.376  10.052   8.360
  221    H    LEU  30           H        LEU  30  -1.985   9.657   2.767
  222    HA   LEU  30           HA       LEU  30  -2.137   7.031   1.974
  223   1HB   LEU  30          2HB       LEU  30  -0.159   9.014   2.177
  224   2HB   LEU  30          1HB       LEU  30   0.486   7.609   3.003
  225    HG   LEU  30           HG       LEU  30  -0.654   7.467   0.227
  226   1HD1  LEU  30          2HD1      LEU  30   1.589   8.922   0.923
  227   2HD1  LEU  30          1HD1      LEU  30   2.239   7.364   0.408
  228   3HD1  LEU  30          3HD1      LEU  30   1.205   8.292  -0.679
  229   1HD2  LEU  30          1HD2      LEU  30   0.350   5.568   2.121
  230   2HD2  LEU  30          3HD2      LEU  30  -0.330   5.287   0.517
  231   3HD2  LEU  30          2HD2      LEU  30   1.397   5.597   0.700
  232    H    ALA  31           H        ALA  31  -1.821   5.067   2.895
  233    HA   ALA  31           HA       ALA  31  -2.032   4.910   5.770
  234   1HB   ALA  31          1HB       ALA  31  -2.740   3.250   3.585
  235   2HB   ALA  31          3HB       ALA  31  -1.615   2.343   4.598
  236   3HB   ALA  31          2HB       ALA  31  -3.090   3.013   5.299
  237    H    THR  32           H        THR  32  -0.587   3.319   6.957
  238    HA   THR  32           HA       THR  32   2.183   3.572   5.974
  239    HB   THR  32           HB       THR  32   2.974   3.797   8.237
  240    HG1  THR  32           HG1      THR  32   1.574   3.731   9.988
  241   1HG2  THR  32          2HG2      THR  32   0.747   5.639   7.436
  242   2HG2  THR  32          1HG2      THR  32   1.657   5.902   8.924
  243   3HG2  THR  32          3HG2      THR  32   2.489   5.906   7.369
  244    H    TYR  33           H        TYR  33   3.575   2.077   7.612
  245    HA   TYR  33           HA       TYR  33   2.982  -0.587   6.822
  246   1HB   TYR  33          2HB       TYR  33   5.273  -0.031   7.075
  247   2HB   TYR  33          1HB       TYR  33   5.019   0.620   8.685
  248    HD1  TYR  33           HD1      TYR  33   4.649  -2.626   6.850
  249    HD2  TYR  33           HD2      TYR  33   5.683  -0.655  10.479
  250    HE1  TYR  33           HE1      TYR  33   5.302  -4.781   7.829
  251    HE2  TYR  33           HE2      TYR  33   6.339  -2.809  11.465
  252    HH   TYR  33           HH       TYR  33   6.867  -4.986  10.955
  253    H    LYS  34           H        LYS  34   3.497   0.619  10.106
  254    HA   LYS  34           HA       LYS  34   2.370  -1.426  11.516
  255   1HB   LYS  34          2HB       LYS  34   2.306   1.527  12.144
  256   2HB   LYS  34          1HB       LYS  34   1.867   0.275  13.294
  257   1HG   LYS  34          2HG       LYS  34   4.400  -0.415  12.276
  258   2HG   LYS  34          1HG       LYS  34   4.444   1.307  12.656
  259   1HD   LYS  34          2HD       LYS  34   4.579   0.857  14.827
  260   2HD   LYS  34          1HD       LYS  34   3.084  -0.077  14.752
  261   1HE   LYS  34          2HE       LYS  34   4.755  -1.537  15.581
  262   2HE   LYS  34          1HE       LYS  34   4.456  -2.007  13.908
  263   1HZ   LYS  34          2HZ       LYS  34   6.420  -0.577  13.328
  264   2HZ   LYS  34          1HZ       LYS  34   6.760  -0.486  14.982
  265   3HZ   LYS  34          3HZ       LYS  34   6.778  -1.985  14.194
  266    H    GLN  35           H        GLN  35   0.697   1.329  10.046
  267    HA   GLN  35           HA       GLN  35  -1.851   0.783  11.102
  268   1HB   GLN  35          2HB       GLN  35  -0.999   2.201   8.577
  269   2HB   GLN  35          1HB       GLN  35  -2.654   2.156   9.157
  270   1HG   GLN  35          2HG       GLN  35  -1.984   3.288  11.205
  271   2HG   GLN  35          1HG       GLN  35  -0.312   3.313  10.647
  272   1HE2  GLN  35          1HE2      GLN  35  -1.499   5.635  11.344
  273   2HE2  GLN  35          2HE2      GLN  35  -1.802   6.602   9.945
  274    H    LEU  36           H        LEU  36  -0.333  -0.147   8.027
  275    HA   LEU  36           HA       LEU  36  -2.492  -1.493   6.905
  276   1HB   LEU  36          2HB       LEU  36   0.292  -1.213   6.378
  277   2HB   LEU  36          1HB       LEU  36  -0.107  -2.915   6.269
  278    HG   LEU  36           HG       LEU  36  -0.235  -1.726   4.095
  279   1HD1  LEU  36          3HD1      LEU  36  -1.880  -3.652   5.074
  280   2HD1  LEU  36          2HD1      LEU  36  -3.043  -2.439   4.536
  281   3HD1  LEU  36          1HD1      LEU  36  -1.866  -3.097   3.399
  282   1HD2  LEU  36          3HD2      LEU  36  -2.368  -0.182   5.540
  283   2HD2  LEU  36          2HD2      LEU  36  -0.965   0.436   4.667
  284   3HD2  LEU  36          1HD2      LEU  36  -2.305  -0.292   3.781
  285    H    GLU  37           H        GLU  37  -0.262  -2.459   9.406
  286    HA   GLU  37           HA       GLU  37  -0.811  -5.230   9.383
  287   1HB   GLU  37          2HB       GLU  37  -0.188  -3.929  11.967
  288   2HB   GLU  37          1HB       GLU  37   0.527  -5.350  11.220
  289   1HG   GLU  37          2HG       GLU  37   1.155  -3.158   9.604
  290   2HG   GLU  37          1HG       GLU  37   1.477  -2.675  11.267
  291    H    ALA  38           H        ALA  38  -1.850  -2.715  11.618
  292    HA   ALA  38           HA       ALA  38  -3.748  -4.153  13.021
  293   1HB   ALA  38          1HB       ALA  38  -2.838  -1.556  13.050
  294   2HB   ALA  38          2HB       ALA  38  -4.087  -2.226  14.100
  295   3HB   ALA  38          3HB       ALA  38  -4.539  -1.380  12.619
  296    H    ALA  39           H        ALA  39  -3.849  -3.055   9.799
  297    HA   ALA  39           HA       ALA  39  -6.766  -3.219   9.636
  298   1HB   ALA  39          3HB       ALA  39  -4.846  -2.682   7.377
  299   2HB   ALA  39          2HB       ALA  39  -6.572  -2.326   7.443
  300   3HB   ALA  39          1HB       ALA  39  -5.446  -1.416   8.450
  301    H    ARG  40           H        ARG  40  -3.869  -4.921   8.818
  302    HA   ARG  40           HA       ARG  40  -5.041  -6.846   7.074
  303   1HB   ARG  40          2HB       ARG  40  -2.698  -6.453   6.891
  304   2HB   ARG  40          1HB       ARG  40  -2.459  -6.693   8.617
  305   1HG   ARG  40          2HG       ARG  40  -3.611  -9.056   7.522
  306   2HG   ARG  40          1HG       ARG  40  -2.232  -8.583   6.529
  307   1HD   ARG  40          2HD       ARG  40  -1.091  -8.249   8.882
  308   2HD   ARG  40          1HD       ARG  40  -2.328  -9.398   9.389
  309    HE   ARG  40           HE       ARG  40  -0.913 -10.276   7.067
  310   1HH1  ARG  40          1HH1      ARG  40  -0.778 -10.070  10.540
  311   2HH1  ARG  40          2HH1      ARG  40   0.289 -11.425  10.709
  312   1HH2  ARG  40          2HH2      ARG  40   0.493 -12.060   7.277
  313   2HH2  ARG  40          1HH2      ARG  40   1.012 -12.555   8.854
  314    H    LYS  41           H        LYS  41  -4.480  -6.555  10.509
  315    HA   LYS  41           HA       LYS  41  -4.991  -9.260  11.165
  316   1HB   LYS  41          2HB       LYS  41  -5.374  -6.897  12.993
  317   2HB   LYS  41          1HB       LYS  41  -5.004  -8.555  13.444
  318   1HG   LYS  41          2HG       LYS  41  -2.856  -8.137  12.002
  319   2HG   LYS  41          1HG       LYS  41  -3.224  -6.446  12.340
  320   1HD   LYS  41          2HD       LYS  41  -3.472  -7.990  14.743
  321   2HD   LYS  41          1HD       LYS  41  -1.898  -8.286  14.001
  322   1HE   LYS  41          2HE       LYS  41  -1.339  -6.433  15.172
  323   2HE   LYS  41          1HE       LYS  41  -1.995  -5.627  13.748
  324   1HZ   LYS  41          1HZ       LYS  41  -4.188  -5.665  15.002
  325   2HZ   LYS  41          3HZ       LYS  41  -3.277  -6.028  16.380
  326   3HZ   LYS  41          2HZ       LYS  41  -3.011  -4.580  15.546
  327    H    ILE  42           H        ILE  42  -7.035  -6.668  10.295
  328    HA   ILE  42           HA       ILE  42  -9.372  -7.762  11.633
  329    HB   ILE  42           HB       ILE  42 -10.556  -5.867  10.878
  330   1HG1  ILE  42          2HG1      ILE  42  -8.504  -4.651   9.188
  331   2HG1  ILE  42          1HG1      ILE  42  -9.098  -6.178   8.548
  332   1HG2  ILE  42          2HG2      ILE  42  -7.707  -5.188  11.553
  333   2HG2  ILE  42          1HG2      ILE  42  -8.958  -3.956  11.391
  334   3HG2  ILE  42          3HG2      ILE  42  -9.112  -5.212  12.619
  335   1HD1  ILE  42          2HD1      ILE  42 -11.403  -4.873   9.276
  336   2HD1  ILE  42          1HD1      ILE  42 -10.379  -3.580   8.654
  337   3HD1  ILE  42          3HD1      ILE  42 -10.736  -4.982   7.646
  338    H    GLY  43           H        GLY  43  -7.682  -8.266   8.774
  339   1HA   GLY  43          1HA       GLY  43 -10.082  -9.400   7.474
  340   2HA   GLY  43          2HA       GLY  43  -8.532 -10.234   7.505
  341    H    PHE  44           H        PHE  44  -7.402  -7.326   7.177
  342    HA   PHE  44           HA       PHE  44  -8.120  -6.742   4.437
  343   1HB   PHE  44          2HB       PHE  44  -7.516  -5.017   6.229
  344   2HB   PHE  44          1HB       PHE  44  -5.843  -5.501   5.975
  345    HD1  PHE  44           HD1      PHE  44  -7.785  -5.726   3.005
  346    HD2  PHE  44           HD2      PHE  44  -5.629  -3.003   5.466
  347    HE1  PHE  44           HE1      PHE  44  -7.620  -4.157   1.117
  348    HE2  PHE  44           HE2      PHE  44  -5.462  -1.428   3.583
  349    HZ   PHE  44           HZ       PHE  44  -6.457  -2.005   1.406
  350    H    HIS  45           H        HIS  45  -7.162  -7.522   2.684
  351    HA   HIS  45           HA       HIS  45  -4.367  -8.336   2.768
  352   1HB   HIS  45          2HB       HIS  45  -5.629 -10.367   3.383
  353   2HB   HIS  45          1HB       HIS  45  -6.565 -10.226   1.901
  354    HD1  HIS  45           HD1      HIS  45  -4.520 -12.575   2.847
  355    HD2  HIS  45           HD2      HIS  45  -3.930  -9.704  -0.099
  356    HE1  HIS  45           HE1      HIS  45  -2.793 -13.545   1.299
  357    HE2  HIS  45           HE2      HIS  45  -2.515 -11.828  -0.523
  358    H    VAL  46           H        VAL  46  -3.362  -7.658   0.990
  359    HA   VAL  46           HA       VAL  46  -4.790  -7.587  -1.550
  360    HB   VAL  46           HB       VAL  46  -3.284  -5.181  -1.469
  361   1HG1  VAL  46          3HG1      VAL  46  -5.883  -6.146  -2.206
  362   2HG1  VAL  46          2HG1      VAL  46  -6.019  -4.577  -1.410
  363   3HG1  VAL  46          1HG1      VAL  46  -4.986  -4.760  -2.828
  364   1HG2  VAL  46          2HG2      VAL  46  -3.543  -5.286   0.983
  365   2HG2  VAL  46          1HG2      VAL  46  -4.391  -3.913   0.268
  366   3HG2  VAL  46          3HG2      VAL  46  -5.294  -5.344   0.774
  367    H    CYS  47           H        CYS  47  -3.491  -9.011  -2.568
  368    HA   CYS  47           HA       CYS  47  -0.659  -9.071  -2.241
  369   1HB   CYS  47          2HB       CYS  47  -2.284 -10.970  -2.981
  370   2HB   CYS  47          1HB       CYS  47  -2.065 -10.294  -4.592
  371    H    ALA  48           H        ALA  48  -0.196  -6.824  -2.682
  372    HA   ALA  48           HA       ALA  48   0.888  -6.395  -5.221
  373   1HB   ALA  48          3HB       ALA  48  -1.556  -6.203  -5.799
  374   2HB   ALA  48          1HB       ALA  48  -0.560  -4.816  -6.238
  375   3HB   ALA  48          2HB       ALA  48  -1.594  -4.742  -4.811
  376    H    ALA  49           H        ALA  49   2.597  -5.220  -4.681
  377    HA   ALA  49           HA       ALA  49   3.179  -3.938  -2.393
  378   1HB   ALA  49          1HB       ALA  49   5.047  -3.462  -3.490
  379   2HB   ALA  49          3HB       ALA  49   4.268  -3.977  -4.987
  380   3HB   ALA  49          2HB       ALA  49   4.199  -2.284  -4.492
  381    H    GLY  50           H        GLY  50   2.197  -2.416  -1.245
  382   1HA   GLY  50          2HA       GLY  50   0.228  -0.943  -1.142
  383   2HA   GLY  50          1HA       GLY  50   0.724  -0.310  -2.704
  384    H    TRP  51           H        TRP  51   1.513   1.662  -2.559
  385    HA   TRP  51           HA       TRP  51   3.755   2.394  -1.114
  386   1HB   TRP  51          2HB       TRP  51   1.535   3.985  -2.359
  387   2HB   TRP  51          1HB       TRP  51   2.816   4.792  -1.456
  388    HD1  TRP  51           HD1      TRP  51   2.041   3.356  -4.807
  389    HE1  TRP  51           HE1      TRP  51   4.129   3.476  -6.316
  390    HE3  TRP  51           HE3      TRP  51   5.523   4.583  -1.277
  391    HZ2  TRP  51           HZ2      TRP  51   6.889   4.030  -6.041
  392    HZ3  TRP  51           HZ3      TRP  51   7.861   4.893  -1.974
  393    HH2  TRP  51           HH2      TRP  51   8.528   4.620  -4.308
  394    H    MET  52           H        MET  52   4.124   3.540   0.759
  395    HA   MET  52           HA       MET  52   2.028   4.400   2.494
  396   1HB   MET  52          2HB       MET  52   3.178   2.681   4.284
  397   2HB   MET  52          1HB       MET  52   1.643   2.409   3.474
  398   1HG   MET  52          2HG       MET  52   2.450   0.739   2.227
  399   2HG   MET  52          1HG       MET  52   3.988   1.552   1.948
  400   1HE   MET  52          1HE       MET  52   1.921  -0.807   4.246
  401   2HE   MET  52          3HE       MET  52   2.819  -1.610   2.957
  402   3HE   MET  52          2HE       MET  52   3.235  -1.915   4.643
  403    H    ALA  53           H        ALA  53   3.099   4.804   4.801
  404    HA   ALA  53           HA       ALA  53   4.530   6.178   5.925
  405   1HB   ALA  53          3HB       ALA  53   6.878   5.039   4.534
  406   2HB   ALA  53          1HB       ALA  53   5.820   3.914   5.386
  407   3HB   ALA  53          2HB       ALA  53   6.569   5.251   6.258
  408    H    LYS  54           H        LYS  54   6.963   7.289   5.325
  409    HA   LYS  54           HA       LYS  54   6.204   9.505   3.728
  410   1HB   LYS  54          2HB       LYS  54   8.290   8.856   5.545
  411   2HB   LYS  54          1HB       LYS  54   9.038   9.424   4.062
  412   1HG   LYS  54          2HG       LYS  54   6.783  11.004   5.167
  413   2HG   LYS  54          1HG       LYS  54   8.333  11.070   6.004
  414   1HD   LYS  54          2HD       LYS  54   8.502  11.355   3.087
  415   2HD   LYS  54          1HD       LYS  54   7.638  12.657   3.908
  416   1HE   LYS  54          2HE       LYS  54  10.373  11.676   4.705
  417   2HE   LYS  54          1HE       LYS  54  10.090  13.049   3.634
  418   1HZ   LYS  54          1HZ       LYS  54   8.622  13.197   6.102
  419   2HZ   LYS  54          3HZ       LYS  54  10.300  13.183   6.325
  420   3HZ   LYS  54          2HZ       LYS  54   9.587  14.363   5.346
  421    H    GLY  55           H        GLY  55   6.912   6.528   2.677
  422   1HA   GLY  55          1HA       GLY  55   8.678   7.286   0.483
  423   2HA   GLY  55          2HA       GLY  55   7.024   6.871   0.044
  424    H    ARG  56           H        ARG  56   7.267   4.987   2.539
  425    HA   ARG  56           HA       ARG  56   8.971   2.910   1.410
  426   1HB   ARG  56          2HB       ARG  56   7.816   3.502   4.044
  427   2HB   ARG  56          1HB       ARG  56   7.789   1.797   3.618
  428   1HG   ARG  56          2HG       ARG  56  10.165   1.773   3.307
  429   2HG   ARG  56          1HG       ARG  56  10.252   3.522   3.526
  430   1HD   ARG  56          2HD       ARG  56   9.065   2.910   5.819
  431   2HD   ARG  56          1HD       ARG  56   9.870   1.367   5.534
  432    HE   ARG  56           HE       ARG  56  11.963   2.775   5.326
  433   1HH1  ARG  56          1HH1      ARG  56   9.242   3.712   7.288
  434   2HH1  ARG  56          2HH1      ARG  56  10.196   4.642   8.395
  435   1HH2  ARG  56          2HH2      ARG  56  13.228   3.998   6.779
  436   2HH2  ARG  56          1HH2      ARG  56  12.461   4.805   8.105
  437    H    VAL  57           H        VAL  57   8.236   1.271   0.221
  438    HA   VAL  57           HA       VAL  57   5.329   0.769   0.199
  439    HB   VAL  57           HB       VAL  57   5.513   1.373  -1.967
  440   1HG1  VAL  57          1HG1      VAL  57   8.426   0.880  -1.577
  441   2HG1  VAL  57          3HG1      VAL  57   7.785   0.999  -3.216
  442   3HG1  VAL  57          2HG1      VAL  57   7.588   2.344  -2.091
  443   1HG2  VAL  57          3HG2      VAL  57   5.354  -1.238  -1.801
  444   2HG2  VAL  57          2HG2      VAL  57   5.548  -0.448  -3.366
  445   3HG2  VAL  57          1HG2      VAL  57   6.942  -1.174  -2.567
  446    H    GLY  58           H        GLY  58   4.693  -1.187   0.835
  447   1HA   GLY  58          2HA       GLY  58   5.850  -3.121   2.106
  448   2HA   GLY  58          1HA       GLY  58   6.544  -3.454   0.527
  449    H    TYR  59           H        TYR  59   5.246  -5.495   1.530
  450    HA   TYR  59           HA       TYR  59   2.503  -5.414   0.479
  451   1HB   TYR  59          2HB       TYR  59   3.704  -7.975  -0.069
  452   2HB   TYR  59          1HB       TYR  59   2.935  -6.848  -1.185
  453    HD1  TYR  59           HD1      TYR  59   4.371  -4.899  -2.057
  454    HD2  TYR  59           HD2      TYR  59   6.006  -8.351  -0.182
  455    HE1  TYR  59           HE1      TYR  59   6.552  -4.416  -3.084
  456    HE2  TYR  59           HE2      TYR  59   8.190  -7.877  -1.204
  457    HH   TYR  59           HH       TYR  59   9.267  -6.644  -2.764
  458    HA   PRO  60           HA       PRO  60   2.115  -7.144   4.656
  459   1HB   PRO  60          2HB       PRO  60  -0.740  -7.045   3.885
  460   2HB   PRO  60          1HB       PRO  60   0.064  -6.377   5.306
  461   1HG   PRO  60          2HG       PRO  60  -0.798  -4.808   3.312
  462   2HG   PRO  60          1HG       PRO  60   0.683  -4.443   4.215
  463   1HD   PRO  60          1HD       PRO  60   0.361  -5.598   1.482
  464   2HD   PRO  60          2HD       PRO  60   1.591  -4.476   2.098
  465    H    ILE  61           H        ILE  61  -0.783  -8.254   3.094
  466    HA   ILE  61           HA       ILE  61  -1.478 -10.293   2.335
  467    HB   ILE  61           HB       ILE  61   1.383 -11.233   2.531
  468   1HG1  ILE  61          2HG1      ILE  61   1.250  -9.231   1.115
  469   2HG1  ILE  61          1HG1      ILE  61   1.578 -10.667   0.149
  470   1HG2  ILE  61          2HG2      ILE  61  -0.543 -12.889   2.307
  471   2HG2  ILE  61          1HG2      ILE  61  -0.764 -12.231   0.686
  472   3HG2  ILE  61          3HG2      ILE  61   0.760 -13.002   1.123
  473   1HD1  ILE  61          1HD1      ILE  61  -1.120 -10.578   0.032
  474   2HD1  ILE  61          3HD1      ILE  61  -0.725  -8.863   0.125
  475   3HD1  ILE  61          2HD1      ILE  61  -0.039  -9.857  -1.160
  476    H    VAL  62           H        VAL  62  -2.708 -11.146   3.881
  477    HA   VAL  62           HA       VAL  62  -1.615 -11.934   6.430
  478    HB   VAL  62           HB       VAL  62  -4.345 -12.822   5.817
  479   1HG1  VAL  62          3HG1      VAL  62  -2.810 -11.628   8.022
  480   2HG1  VAL  62          2HG1      VAL  62  -4.506 -11.151   7.939
  481   3HG1  VAL  62          1HG1      VAL  62  -4.075 -12.857   8.051
  482   1HG2  VAL  62          2HG2      VAL  62  -3.640  -9.895   5.685
  483   2HG2  VAL  62          1HG2      VAL  62  -4.399 -10.870   4.427
  484   3HG2  VAL  62          3HG2      VAL  62  -5.274 -10.516   5.916
  485    H    LYS  63           H        LYS  63  -2.861 -13.525   3.543
  486    HA   LYS  63           HA       LYS  63  -2.046 -16.120   4.675
  487   1HB   LYS  63          2HB       LYS  63  -4.347 -15.285   3.031
  488   2HB   LYS  63          1HB       LYS  63  -3.581 -16.786   2.532
  489   1HG   LYS  63          2HG       LYS  63  -3.846 -16.960   5.312
  490   2HG   LYS  63          1HG       LYS  63  -5.369 -16.294   4.716
  491   1HD   LYS  63          2HD       LYS  63  -5.276 -18.170   2.968
  492   2HD   LYS  63          1HD       LYS  63  -4.049 -18.896   4.006
  493   1HE   LYS  63          2HE       LYS  63  -6.570 -18.019   5.291
  494   2HE   LYS  63          1HE       LYS  63  -6.651 -19.435   4.245
  495   1HZ   LYS  63          3HZ       LYS  63  -4.736 -20.327   5.579
  496   2HZ   LYS  63          2HZ       LYS  63  -5.002 -19.070   6.678
  497   3HZ   LYS  63          1HZ       LYS  63  -6.210 -20.221   6.402
  498    HA   PRO  64           HA       PRO  64   1.219 -15.389   1.561
  499   1HB   PRO  64          2HB       PRO  64   2.238 -17.852   2.852
  500   2HB   PRO  64          1HB       PRO  64   3.058 -16.319   2.549
  501   1HG   PRO  64          2HG       PRO  64   2.278 -17.025   5.011
  502   2HG   PRO  64          1HG       PRO  64   2.226 -15.341   4.465
  503   1HD   PRO  64          2HD       PRO  64  -0.001 -17.301   4.787
  504   2HD   PRO  64          1HD       PRO  64   0.017 -15.549   5.081
  505    H    GLY  65           H        GLY  65   1.432 -16.272  -0.427
  506   1HA   GLY  65          2HA       GLY  65   0.134 -17.533  -2.075
  507   2HA   GLY  65          1HA       GLY  65   0.049 -18.840  -0.902
  508    HA   PRO  66           HA       PRO  66   3.603 -20.293  -3.195
  509   1HB   PRO  66          2HB       PRO  66   3.031 -20.584  -5.776
  510   2HB   PRO  66          1HB       PRO  66   2.098 -21.440  -4.549
  511   1HG   PRO  66          2HG       PRO  66   1.388 -18.992  -6.098
  512   2HG   PRO  66          1HG       PRO  66   0.359 -20.349  -5.618
  513   1HD   PRO  66          1HD       PRO  66   0.526 -17.903  -4.308
  514   2HD   PRO  66          2HD       PRO  66  -0.141 -19.393  -3.630
  515    H    ASN  67           H        ASN  67   2.466 -18.058  -5.694
  516    HA   ASN  67           HA       ASN  67   5.185 -16.957  -5.889
  517   1HB   ASN  67          2HB       ASN  67   4.005 -15.974  -8.083
  518   2HB   ASN  67          1HB       ASN  67   4.748 -17.569  -8.044
  519   1HD2  ASN  67          1HD2      ASN  67   3.236 -19.349  -7.337
  520   2HD2  ASN  67          2HD2      ASN  67   1.637 -19.306  -7.987
  521    H    CYS  68           H        CYS  68   1.936 -16.197  -5.054
  522    HA   CYS  68           HA       CYS  68   1.960 -13.410  -5.444
  523   1HB   CYS  68          2HB       CYS  68   0.115 -15.262  -4.565
  524   2HB   CYS  68          1HB       CYS  68   0.425 -14.307  -3.120
  525    H    GLY  69           H        GLY  69   1.839 -14.832  -2.209
  526   1HA   GLY  69          1HA       GLY  69   2.716 -14.023  -0.227
  527   2HA   GLY  69          2HA       GLY  69   3.298 -12.616  -1.107
  528    H    PHE  70           H        PHE  70   4.279 -15.374  -2.691
  529    HA   PHE  70           HA       PHE  70   6.280 -16.417  -2.958
  530   1HB   PHE  70          2HB       PHE  70   6.877 -13.716  -2.414
  531   2HB   PHE  70          1HB       PHE  70   8.011 -14.669  -1.463
  532    HD1  PHE  70           HD1      PHE  70   8.991 -16.761  -2.866
  533    HD2  PHE  70           HD2      PHE  70   7.586 -13.088  -4.492
  534    HE1  PHE  70           HE1      PHE  70  10.370 -17.126  -4.870
  535    HE2  PHE  70           HE2      PHE  70   8.962 -13.446  -6.501
  536    HZ   PHE  70           HZ       PHE  70  10.356 -15.468  -6.692
  537    H    GLY  71           H        GLY  71   4.637 -16.889  -0.550
  538   1HA   GLY  71          1HA       GLY  71   6.427 -18.630   0.804
  539   2HA   GLY  71          2HA       GLY  71   4.770 -18.277   1.281
  540    H    LYS  72           H        LYS  72   5.842 -15.313   1.145
  541    HA   LYS  72           HA       LYS  72   7.518 -15.205   3.490
  542   1HB   LYS  72          2HB       LYS  72   6.176 -12.955   1.980
  543   2HB   LYS  72          1HB       LYS  72   7.452 -12.786   3.179
  544   1HG   LYS  72          2HG       LYS  72   9.005 -13.964   1.733
  545   2HG   LYS  72          1HG       LYS  72   7.727 -14.214   0.541
  546   1HD   LYS  72          2HD       LYS  72   7.886 -12.115  -0.253
  547   2HD   LYS  72          1HD       LYS  72   8.110 -11.421   1.354
  548   1HE   LYS  72          2HE       LYS  72  10.090 -11.082  -0.024
  549   2HE   LYS  72          1HE       LYS  72  10.445 -12.136   1.344
  550   1HZ   LYS  72          1HZ       LYS  72   9.812 -13.949  -0.467
  551   2HZ   LYS  72          3HZ       LYS  72  10.393 -12.744  -1.504
  552   3HZ   LYS  72          2HZ       LYS  72  11.388 -13.361  -0.284
  553    H    THR  73           H        THR  73   6.940 -13.928   5.394
  554    HA   THR  73           HA       THR  73   4.056 -14.031   5.978
  555    HB   THR  73           HB       THR  73   5.193 -14.288   8.441
  556    HG1  THR  73           HG1      THR  73   7.037 -15.341   8.314
  557   1HG2  THR  73          1HG2      THR  73   3.302 -15.574   7.516
  558   2HG2  THR  73          3HG2      THR  73   4.443 -16.555   6.594
  559   3HG2  THR  73          2HG2      THR  73   4.461 -16.605   8.357
  560    H    GLY  74           H        GLY  74   3.173 -12.215   6.743
  561   1HA   GLY  74          2HA       GLY  74   4.781 -10.265   8.178
  562   2HA   GLY  74          1HA       GLY  74   3.042 -10.202   7.924
  563    H    ILE  75           H        ILE  75   3.934  -7.863   7.563
  564    HA   ILE  75           HA       ILE  75   3.646  -7.325   4.793
  565    HB   ILE  75           HB       ILE  75   4.644  -5.379   6.869
  566   1HG1  ILE  75          1HG1      ILE  75   1.928  -6.513   6.360
  567   2HG1  ILE  75          2HG1      ILE  75   2.683  -6.061   7.883
  568   1HG2  ILE  75          1HG2      ILE  75   4.397  -5.092   4.166
  569   2HG2  ILE  75          3HG2      ILE  75   2.848  -4.479   4.746
  570   3HG2  ILE  75          2HG2      ILE  75   4.353  -3.775   5.339
  571   1HD1  ILE  75          1HD1      ILE  75   2.465  -3.647   6.729
  572   2HD1  ILE  75          3HD1      ILE  75   1.074  -4.467   6.021
  573   3HD1  ILE  75          2HD1      ILE  75   1.235  -4.358   7.776
  574    H    ILE  76           H        ILE  76   5.140  -7.685   3.339
  575    HA   ILE  76           HA       ILE  76   7.957  -7.676   4.026
  576    HB   ILE  76           HB       ILE  76   6.683  -8.193   1.339
  577   1HG1  ILE  76          2HG1      ILE  76   5.772  -9.892   2.646
  578   2HG1  ILE  76          1HG1      ILE  76   7.250 -10.637   2.045
  579   1HG2  ILE  76          2HG2      ILE  76   9.341  -7.797   2.033
  580   2HG2  ILE  76          1HG2      ILE  76   9.170  -9.548   1.903
  581   3HG2  ILE  76          3HG2      ILE  76   8.730  -8.517   0.542
  582   1HD1  ILE  76          3HD1      ILE  76   8.346  -9.991   4.189
  583   2HD1  ILE  76          2HD1      ILE  76   6.761  -9.483   4.772
  584   3HD1  ILE  76          1HD1      ILE  76   7.045 -11.171   4.343
  585    H    ASP  77           H        ASP  77   8.364  -5.478   4.415
  586    HA   ASP  77           HA       ASP  77   8.184  -3.729   2.051
  587   1HB   ASP  77          2HB       ASP  77   6.995  -3.158   4.318
  588   2HB   ASP  77          1HB       ASP  77   8.609  -2.666   4.820
  589    H    TYR  78           H        TYR  78  10.064  -3.572   1.029
  590    HA   TYR  78           HA       TYR  78  12.564  -4.103   2.335
  591   1HB   TYR  78          2HB       TYR  78  11.952  -3.143  -0.467
  592   2HB   TYR  78          1HB       TYR  78  13.529  -3.668   0.104
  593    HD1  TYR  78           HD1      TYR  78  10.022  -4.965   0.068
  594    HD2  TYR  78           HD2      TYR  78  14.158  -5.809  -0.467
  595    HE1  TYR  78           HE1      TYR  78   9.463  -7.278  -0.543
  596    HE2  TYR  78           HE2      TYR  78  13.611  -8.127  -1.081
  597    HH   TYR  78           HH       TYR  78  10.780  -9.152  -2.058
  598    H    GLY  79           H        GLY  79  10.657  -1.511   2.514
  599   1HA   GLY  79          2HA       GLY  79  12.816   0.238   3.262
  600   2HA   GLY  79          1HA       GLY  79  11.095   0.612   3.327
  601    H    ILE  80           H        ILE  80  12.075   2.725   2.512
  602    HA   ILE  80           HA       ILE  80  11.285   3.254  -0.050
  603    HB   ILE  80           HB       ILE  80  13.571   4.689   1.281
  604   1HG1  ILE  80          2HG1      ILE  80  10.600   4.921   1.760
  605   2HG1  ILE  80          1HG1      ILE  80  11.826   4.435   2.919
  606   1HG2  ILE  80          2HG2      ILE  80  12.879   5.207  -1.117
  607   2HG2  ILE  80          1HG2      ILE  80  11.389   5.848  -0.427
  608   3HG2  ILE  80          3HG2      ILE  80  12.941   6.562   0.009
  609   1HD1  ILE  80          2HD1      ILE  80  12.131   7.102   1.685
  610   2HD1  ILE  80          1HD1      ILE  80  10.821   6.884   2.846
  611   3HD1  ILE  80          3HD1      ILE  80  12.486   6.559   3.325
  612    H    ARG  81           H        ARG  81  12.209   3.345  -2.038
  613    HA   ARG  81           HA       ARG  81  14.773   1.929  -2.331
  614   1HB   ARG  81          2HB       ARG  81  12.555   2.276  -4.355
  615   2HB   ARG  81          1HB       ARG  81  14.032   1.353  -4.593
  616   1HG   ARG  81          2HG       ARG  81  12.411   0.603  -2.251
  617   2HG   ARG  81          1HG       ARG  81  11.698   0.271  -3.830
  618   1HD   ARG  81          2HD       ARG  81  14.527  -0.483  -3.540
  619   2HD   ARG  81          1HD       ARG  81  13.397  -1.397  -2.543
  620    HE   ARG  81           HE       ARG  81  13.439  -1.302  -5.474
  621   1HH1  ARG  81          1HH1      ARG  81  12.188  -2.637  -2.509
  622   2HH1  ARG  81          2HH1      ARG  81  11.421  -3.981  -3.286
  623   1HH2  ARG  81          2HH2      ARG  81  12.432  -3.068  -6.507
  624   2HH2  ARG  81          1HH2      ARG  81  11.559  -4.226  -5.560
  625    H    LEU  82           H        LEU  82  14.056   4.911  -1.960
  626    HA   LEU  82           HA       LEU  82  14.792   6.934  -2.700
  627   1HB   LEU  82          2HB       LEU  82  16.929   5.244  -2.620
  628   2HB   LEU  82          1HB       LEU  82  17.011   5.816  -4.271
  629    HG   LEU  82           HG       LEU  82  18.426   7.205  -2.942
  630   1HD1  LEU  82          1HD1      LEU  82  16.009   8.278  -4.155
  631   2HD1  LEU  82          3HD1      LEU  82  16.716   9.355  -2.950
  632   3HD1  LEU  82          2HD1      LEU  82  17.686   8.800  -4.314
  633   1HD2  LEU  82          2HD2      LEU  82  16.084   7.280  -1.086
  634   2HD2  LEU  82          1HD2      LEU  82  17.780   6.940  -0.740
  635   3HD2  LEU  82          3HD2      LEU  82  17.264   8.590  -1.084
  636    H    ASN  83           H        ASN  83  12.859   5.620  -4.347
  637    HA   ASN  83           HA       ASN  83  13.038   7.246  -6.667
  638   1HB   ASN  83          2HB       ASN  83  14.596   5.353  -7.263
  639   2HB   ASN  83          1HB       ASN  83  13.205   4.274  -7.192
  640   1HD2  ASN  83          1HD2      ASN  83  13.518   7.564  -8.453
  641   2HD2  ASN  83          2HD2      ASN  83  13.032   7.179 -10.066
  642    H    ARG  84           H        ARG  84  11.010   7.877  -5.825
  643    HA   ARG  84           HA       ARG  84   8.871   6.046  -5.433
  644   1HB   ARG  84          2HB       ARG  84   8.297   8.893  -6.065
  645   2HB   ARG  84          1HB       ARG  84   7.630   7.865  -4.806
  646   1HG   ARG  84          2HG       ARG  84   8.950   8.873  -3.353
  647   2HG   ARG  84          1HG       ARG  84  10.341   8.170  -4.181
  648   1HD   ARG  84          2HD       ARG  84  10.535  10.087  -5.609
  649   2HD   ARG  84          1HD       ARG  84   9.030  10.761  -4.984
  650    HE   ARG  84           HE       ARG  84  10.298  10.838  -2.778
  651   1HH1  ARG  84          1HH1      ARG  84  11.813  11.168  -5.897
  652   2HH1  ARG  84          2HH1      ARG  84  13.121  12.137  -5.304
  653   1HH2  ARG  84          2HH2      ARG  84  12.017  12.115  -1.987
  654   2HH2  ARG  84          1HH2      ARG  84  13.238  12.675  -3.083
  655    H    SER  85           H        SER  85  10.384   6.903  -8.201
  656    HA   SER  85           HA       SER  85   8.128   7.303  -9.927
  657   1HB   SER  85          2HB       SER  85   9.662   7.587 -11.634
  658   2HB   SER  85          1HB       SER  85  10.660   7.988 -10.236
  659    HG   SER  85           HG       SER  85  11.006   5.493 -10.383
  660    H    GLU  86           H        GLU  86   8.586   4.767  -8.203
  661    HA   GLU  86           HA       GLU  86   8.775   2.634 -10.102
  662   1HB   GLU  86          2HB       GLU  86   8.134   2.836  -7.183
  663   2HB   GLU  86          1HB       GLU  86   7.815   1.336  -8.041
  664   1HG   GLU  86          2HG       GLU  86  10.485   2.466  -8.478
  665   2HG   GLU  86          1HG       GLU  86  10.150   1.949  -6.827
  666    H    ARG  87           H        ARG  87   6.827   0.876  -9.597
  667    HA   ARG  87           HA       ARG  87   4.277   2.252 -10.019
  668   1HB   ARG  87          2HB       ARG  87   3.784   0.524 -11.826
  669   2HB   ARG  87          1HB       ARG  87   4.862   1.846 -12.252
  670   1HG   ARG  87          2HG       ARG  87   6.328   0.343 -12.948
  671   2HG   ARG  87          1HG       ARG  87   6.517  -0.177 -11.273
  672   1HD   ARG  87          2HD       ARG  87   4.558  -1.700 -11.621
  673   2HD   ARG  87          1HD       ARG  87   4.621  -1.286 -13.334
  674    HE   ARG  87           HE       ARG  87   7.105  -2.263 -12.237
  675   1HH1  ARG  87          2HH1      ARG  87   4.097  -3.094 -13.782
  676   2HH1  ARG  87          1HH1      ARG  87   4.688  -4.593 -14.418
  677   1HH2  ARG  87          2HH2      ARG  87   7.894  -4.235 -13.068
  678   2HH2  ARG  87          1HH2      ARG  87   6.847  -5.242 -14.011
  679    H    TRP  88           H        TRP  88   2.978   1.540  -8.503
  680    HA   TRP  88           HA       TRP  88   2.595  -1.308  -8.118
  681   1HB   TRP  88          2HB       TRP  88   3.065   0.360  -5.658
  682   2HB   TRP  88          1HB       TRP  88   3.044  -1.393  -5.810
  683    HD1  TRP  88           HD1      TRP  88   5.356   1.530  -5.797
  684    HE1  TRP  88           HE1      TRP  88   7.767   0.744  -6.244
  685    HE3  TRP  88           HE3      TRP  88   4.387  -3.265  -7.287
  686    HZ2  TRP  88           HZ2      TRP  88   9.083  -1.598  -7.111
  687    HZ3  TRP  88           HZ3      TRP  88   6.278  -4.713  -7.906
  688    HH2  TRP  88           HH2      TRP  88   8.577  -3.895  -7.820
  689    H    ASP  89           H        ASP  89   1.342  -0.394  -5.437
  690    HA   ASP  89           HA       ASP  89  -1.146   0.659  -6.608
  691   1HB   ASP  89          2HB       ASP  89  -0.950  -1.042  -4.119
  692   2HB   ASP  89          1HB       ASP  89  -2.400  -0.625  -5.028
  693    H    ALA  90           H        ALA  90  -2.488   1.188  -4.229
  694    HA   ALA  90           HA       ALA  90  -0.780   2.980  -2.688
  695   1HB   ALA  90          2HB       ALA  90  -1.452   4.421  -4.472
  696   2HB   ALA  90          3HB       ALA  90  -2.354   4.880  -3.027
  697   3HB   ALA  90          1HB       ALA  90  -3.140   3.939  -4.295
  698    H    TYR  91           H        TYR  91  -1.302   2.888  -0.598
  699    HA   TYR  91           HA       TYR  91  -3.847   1.662   0.164
  700   1HB   TYR  91          2HB       TYR  91  -1.205   2.038   1.540
  701   2HB   TYR  91          1HB       TYR  91  -2.653   1.720   2.482
  702    HD1  TYR  91           HD1      TYR  91  -4.093  -0.350   1.491
  703    HD2  TYR  91           HD2      TYR  91   0.092   0.231   1.005
  704    HE1  TYR  91           HE1      TYR  91  -3.813  -2.758   1.090
  705    HE2  TYR  91           HE2      TYR  91   0.386  -2.175   0.600
  706    HH   TYR  91           HH       TYR  91  -2.114  -4.238  -0.119
  707    H    CYS  92           H        CYS  92  -5.438   3.117   0.399
  708    HA   CYS  92           HA       CYS  92  -4.874   5.803   1.331
  709   1HB   CYS  92          2HB       CYS  92  -6.608   5.073  -0.475
  710   2HB   CYS  92          1HB       CYS  92  -7.637   4.702   0.904
  711    H    TYR  93           H        TYR  93  -5.928   6.757   3.167
  712    HA   TYR  93           HA       TYR  93  -7.005   4.919   5.156
  713   1HB   TYR  93          2HB       TYR  93  -4.564   5.021   5.570
  714   2HB   TYR  93          1HB       TYR  93  -4.686   6.770   5.749
  715    HD1  TYR  93           HD1      TYR  93  -6.307   7.629   7.585
  716    HD2  TYR  93           HD2      TYR  93  -4.795   3.654   7.432
  717    HE1  TYR  93           HE1      TYR  93  -6.821   7.355   9.972
  718    HE2  TYR  93           HE2      TYR  93  -5.308   3.366   9.824
  719    HH   TYR  93           HH       TYR  93  -7.315   4.993  11.487
  720    H    ASN  94           H        ASN  94  -8.769   5.761   6.007
  721    HA   ASN  94           HA       ASN  94  -8.932   8.652   6.437
  722   1HB   ASN  94          2HB       ASN  94 -11.059   7.004   5.052
  723   2HB   ASN  94          1HB       ASN  94 -11.249   8.679   5.556
  724   1HD2  ASN  94          2HD2      ASN  94 -11.054  10.051   3.960
  725   2HD2  ASN  94          1HD2      ASN  94 -10.024   9.886   2.583
  726    HA   PRO  95           HA       PRO  95 -10.312   7.578  10.482
  727   1HB   PRO  95          2HB       PRO  95 -12.304   9.757  10.051
  728   2HB   PRO  95          1HB       PRO  95 -11.187   9.502  11.398
  729   1HG   PRO  95          2HG       PRO  95 -10.693  11.352   9.540
  730   2HG   PRO  95          1HG       PRO  95  -9.384  10.387  10.245
  731   1HD   PRO  95          2HD       PRO  95 -10.649  10.192   7.559
  732   2HD   PRO  95          1HD       PRO  95  -8.977   9.856   8.049
  733    H    HIS  96           H        HIS  96 -12.649   8.120   7.908
  734    HA   HIS  96           HA       HIS  96 -14.388   6.074   9.123
  735   1HB   HIS  96          2HB       HIS  96 -15.477   8.266   9.131
  736   2HB   HIS  96          1HB       HIS  96 -15.193   8.430   7.401
  737    HD1  HIS  96           HD1      HIS  96 -17.199   6.350   9.839
  738    HD2  HIS  96           HD2      HIS  96 -17.108   7.304   5.796
  739    HE1  HIS  96           HE1      HIS  96 -19.312   5.387   8.874
  740    HE2  HIS  96           HE2      HIS  96 -19.197   5.909   6.411
  741    H    ALA  97           H        ALA  97 -12.901   7.334   6.219
  742    HA   ALA  97           HA       ALA  97 -12.958   6.571   4.028
  743   1HB   ALA  97          1HB       ALA  97 -12.043   4.062   4.181
  744   2HB   ALA  97          2HB       ALA  97 -11.752   4.573   5.843
  745   3HB   ALA  97          3HB       ALA  97 -11.035   5.474   4.506
  746    H    LYS  98           H        LYS  98 -15.339   6.670   3.872
  747    HA   LYS  98           HA       LYS  98 -16.975   4.416   4.312
  748   1HB   LYS  98          2HB       LYS  98 -17.746   6.796   3.993
  749   2HB   LYS  98          1HB       LYS  98 -17.444   6.594   2.273
  750   1HG   LYS  98          2HG       LYS  98 -19.001   4.449   2.727
  751   2HG   LYS  98          1HG       LYS  98 -19.628   5.556   3.949
  752   1HD   LYS  98          2HD       LYS  98 -20.700   6.756   2.411
  753   2HD   LYS  98          1HD       LYS  98 -19.235   6.919   1.440
  754   1HE   LYS  98          2HE       LYS  98 -19.687   5.003   0.205
  755   2HE   LYS  98          1HE       LYS  98 -20.792   4.363   1.422
  756   1HZ   LYS  98          2HZ       LYS  98 -21.957   6.695   0.676
  757   2HZ   LYS  98          1HZ       LYS  98 -21.322   6.123  -0.782
  758   3HZ   LYS  98          3HZ       LYS  98 -22.389   5.160   0.113

  No H/Q in entry =         758
  Start of MODEL   10
    1    H1   GLY   1          2H        GLY   1  -8.369   2.655   9.498
    2    H2   GLY   1          1H        GLY   1  -8.940   4.202   9.873
    3    H3   GLY   1          3H        GLY   1  -9.808   2.836  10.367
    4   1HA   GLY   1          1HA       GLY   1 -10.575   4.168   8.295
    5   2HA   GLY   1          2HA       GLY   1 -10.658   2.414   8.308
    6    H    VAL   2           H        VAL   2  -8.036   1.734   7.934
    7    HA   VAL   2           HA       VAL   2  -7.160   3.078   5.491
    8    HB   VAL   2           HB       VAL   2  -5.357   2.798   6.949
    9   1HG1  VAL   2          3HG1      VAL   2  -6.828   0.724   8.028
   10   2HG1  VAL   2          2HG1      VAL   2  -5.380  -0.062   7.398
   11   3HG1  VAL   2          1HG1      VAL   2  -5.234   1.263   8.551
   12   1HG2  VAL   2          3HG2      VAL   2  -5.211   1.761   4.512
   13   2HG2  VAL   2          2HG2      VAL   2  -3.851   1.718   5.633
   14   3HG2  VAL   2          1HG2      VAL   2  -4.876   0.296   5.435
   15    H    TYR   3           H        TYR   3  -6.800   1.984   3.550
   16    HA   TYR   3           HA       TYR   3  -7.481  -0.803   3.280
   17   1HB   TYR   3          2HB       TYR   3  -9.273  -0.376   1.590
   18   2HB   TYR   3          1HB       TYR   3  -9.717   0.094   3.227
   19    HD1  TYR   3           HD1      TYR   3  -9.714   2.518   3.849
   20    HD2  TYR   3           HD2      TYR   3  -9.206   1.214  -0.168
   21    HE1  TYR   3           HE1      TYR   3 -10.281   4.773   3.052
   22    HE2  TYR   3           HE2      TYR   3  -9.772   3.467  -0.977
   23    HH   TYR   3           HH       TYR   3 -11.284   5.725   0.781
   24    H    HIS   4           H        HIS   4  -7.705  -1.170   0.679
   25    HA   HIS   4           HA       HIS   4  -5.212  -0.048  -0.386
   26   1HB   HIS   4          2HB       HIS   4  -5.054  -2.381  -0.432
   27   2HB   HIS   4          1HB       HIS   4  -6.735  -2.583  -0.910
   28    HD1  HIS   4           HD1      HIS   4  -7.178  -2.891  -3.344
   29    HD2  HIS   4           HD2      HIS   4  -3.372  -1.394  -2.611
   30    HE1  HIS   4           HE1      HIS   4  -6.012  -2.897  -5.573
   31    HE2  HIS   4           HE2      HIS   4  -3.742  -1.904  -5.119
   32    H    ARG   5           H        ARG   5  -5.107   0.464  -2.685
   33    HA   ARG   5           HA       ARG   5  -7.598   0.984  -4.067
   34   1HB   ARG   5          2HB       ARG   5  -6.041   3.093  -2.727
   35   2HB   ARG   5          1HB       ARG   5  -6.451   3.437  -4.400
   36   1HG   ARG   5          2HG       ARG   5  -8.586   2.479  -2.558
   37   2HG   ARG   5          1HG       ARG   5  -8.041   4.154  -2.456
   38   1HD   ARG   5          2HD       ARG   5  -8.440   4.320  -4.934
   39   2HD   ARG   5          1HD       ARG   5  -9.216   2.740  -4.841
   40    HE   ARG   5           HE       ARG   5 -10.474   4.266  -2.944
   41   1HH1  ARG   5          2HH1      ARG   5  -9.940   4.492  -6.379
   42   2HH1  ARG   5          1HH1      ARG   5 -11.408   5.360  -6.681
   43   1HH2  ARG   5          2HH2      ARG   5 -12.410   5.409  -3.332
   44   2HH2  ARG   5          1HH2      ARG   5 -12.811   5.883  -4.949
   45    H    GLU   6           H        GLU   6  -7.338   1.340  -6.290
   46    HA   GLU   6           HA       GLU   6  -4.608   0.861  -7.291
   47   1HB   GLU   6          2HB       GLU   6  -5.917  -1.069  -7.768
   48   2HB   GLU   6          1HB       GLU   6  -7.270  -0.102  -8.332
   49   1HG   GLU   6          2HG       GLU   6  -6.014   0.577 -10.281
   50   2HG   GLU   6          1HG       GLU   6  -4.595  -0.292  -9.696
   51    H    ALA   7           H        ALA   7  -4.462   1.525  -9.701
   52    HA   ALA   7           HA       ALA   7  -5.158   4.340  -9.815
   53   1HB   ALA   7          2HB       ALA   7  -3.521   4.569 -11.430
   54   2HB   ALA   7          3HB       ALA   7  -3.692   2.905 -11.990
   55   3HB   ALA   7          1HB       ALA   7  -2.893   3.242 -10.453
   56    H    ARG   8           H        ARG   8  -6.147   5.317 -11.683
   57    HA   ARG   8           HA       ARG   8  -8.507   4.004 -12.502
   58   1HB   ARG   8          2HB       ARG   8  -7.229   6.421 -13.788
   59   2HB   ARG   8          1HB       ARG   8  -8.920   5.952 -13.873
   60   1HG   ARG   8          2HG       ARG   8  -8.042   6.238 -11.137
   61   2HG   ARG   8          1HG       ARG   8  -7.764   7.709 -12.070
   62   1HD   ARG   8          2HD       ARG   8 -10.354   6.570 -12.649
   63   2HD   ARG   8          1HD       ARG   8 -10.161   6.874 -10.924
   64    HE   ARG   8           HE       ARG   8  -9.399   9.197 -11.779
   65   1HH1  ARG   8          1HH1      ARG   8 -11.906   7.212 -13.159
   66   2HH1  ARG   8          2HH1      ARG   8 -12.813   8.556 -13.771
   67   1HH2  ARG   8          1HH2      ARG   8 -10.584  10.973 -12.580
   68   2HH2  ARG   8          2HH2      ARG   8 -12.060  10.694 -13.442
   69    H    SER   9           H        SER   9  -5.312   4.000 -13.744
   70    HA   SER   9           HA       SER   9  -6.154   3.051 -16.374
   71   1HB   SER   9          2HB       SER   9  -3.678   4.176 -15.226
   72   2HB   SER   9          1HB       SER   9  -3.433   2.891 -16.409
   73    HG   SER   9           HG       SER   9  -4.940   5.267 -16.784
   74    H    GLY  10           H        GLY  10  -4.848   1.889 -13.368
   75   1HA   GLY  10          2HA       GLY  10  -4.232  -0.729 -14.517
   76   2HA   GLY  10          1HA       GLY  10  -5.547  -0.653 -13.353
   77    H    LYS  11           H        LYS  11  -4.054  -2.234 -12.277
   78    HA   LYS  11           HA       LYS  11  -2.803  -1.012 -10.071
   79   1HB   LYS  11          2HB       LYS  11  -3.803  -3.298 -10.074
   80   2HB   LYS  11          1HB       LYS  11  -2.445  -3.851 -11.046
   81   1HG   LYS  11          2HG       LYS  11  -0.905  -3.408  -9.277
   82   2HG   LYS  11          1HG       LYS  11  -2.157  -2.611  -8.320
   83   1HD   LYS  11          2HD       LYS  11  -2.315  -4.630  -7.327
   84   2HD   LYS  11          1HD       LYS  11  -3.315  -5.013  -8.729
   85   1HE   LYS  11          2HE       LYS  11  -0.348  -5.514  -8.534
   86   2HE   LYS  11          1HE       LYS  11  -1.597  -6.730  -8.260
   87   1HZ   LYS  11          2HZ       LYS  11  -2.353  -5.949 -10.628
   88   2HZ   LYS  11          1HZ       LYS  11  -0.731  -5.489 -10.767
   89   3HZ   LYS  11          3HZ       LYS  11  -1.129  -7.101 -10.442
   90    H    TYR  12           H        TYR  12  -0.517  -1.457  -9.399
   91    HA   TYR  12           HA       TYR  12   1.687  -0.966  -9.709
   92   1HB   TYR  12          2HB       TYR  12   1.167  -2.850 -12.011
   93   2HB   TYR  12          1HB       TYR  12   2.776  -2.276 -11.592
   94    HD1  TYR  12           HD1      TYR  12   1.353  -2.408  -8.525
   95    HD2  TYR  12           HD2      TYR  12   2.532  -5.071 -11.628
   96    HE1  TYR  12           HE1      TYR  12   1.573  -4.221  -6.877
   97    HE2  TYR  12           HE2      TYR  12   2.753  -6.890  -9.989
   98    HH   TYR  12           HH       TYR  12   3.036  -7.248  -7.659
   99    H    LYS  13           H        LYS  13   0.053   1.055 -10.612
  100    HA   LYS  13           HA       LYS  13   1.652   2.137 -12.812
  101   1HB   LYS  13          2HB       LYS  13  -1.253   1.637 -12.777
  102   2HB   LYS  13          1HB       LYS  13  -0.777   3.230 -13.339
  103   1HG   LYS  13          2HG       LYS  13   0.931   1.735 -14.761
  104   2HG   LYS  13          1HG       LYS  13  -0.394   0.583 -14.579
  105   1HD   LYS  13          2HD       LYS  13  -1.665   2.951 -15.232
  106   2HD   LYS  13          1HD       LYS  13  -0.214   2.963 -16.236
  107   1HE   LYS  13          2HE       LYS  13  -0.835   0.564 -16.853
  108   2HE   LYS  13          1HE       LYS  13  -2.412   0.918 -16.147
  109   1HZ   LYS  13          3HZ       LYS  13  -1.997   3.025 -17.787
  110   2HZ   LYS  13          2HZ       LYS  13  -1.298   1.758 -18.663
  111   3HZ   LYS  13          1HZ       LYS  13  -2.914   1.657 -18.175
  112    H    LEU  14           H        LEU  14   0.561   2.440  -9.728
  113    HA   LEU  14           HA       LEU  14   0.415   5.370  -9.787
  114   1HB   LEU  14          2HB       LEU  14  -0.504   3.268  -7.877
  115   2HB   LEU  14          1HB       LEU  14  -0.167   4.875  -7.271
  116    HG   LEU  14           HG       LEU  14  -2.002   4.541  -9.609
  117   1HD1  LEU  14          3HD1      LEU  14  -2.502   3.081  -7.411
  118   2HD1  LEU  14          2HD1      LEU  14  -3.229   4.614  -6.929
  119   3HD1  LEU  14          1HD1      LEU  14  -3.764   3.810  -8.405
  120   1HD2  LEU  14          3HD2      LEU  14  -1.131   6.660  -7.887
  121   2HD2  LEU  14          2HD2      LEU  14  -2.130   6.738  -9.339
  122   3HD2  LEU  14          1HD2      LEU  14  -2.880   6.465  -7.767
  123    H    THR  15           H        THR  15   1.849   6.648  -8.746
  124    HA   THR  15           HA       THR  15   4.206   5.319  -7.579
  125    HB   THR  15           HB       THR  15   5.577   7.035  -8.349
  126    HG1  THR  15           HG1      THR  15   4.865   9.001  -8.052
  127   1HG2  THR  15          3HG2      THR  15   3.761   5.900 -10.200
  128   2HG2  THR  15          2HG2      THR  15   4.013   7.580 -10.675
  129   3HG2  THR  15          1HG2      THR  15   5.393   6.495 -10.501
  130    H    TYR  16           H        TYR  16   5.140   6.241  -5.676
  131    HA   TYR  16           HA       TYR  16   3.602   6.750  -3.564
  132   1HB   TYR  16          2HB       TYR  16   5.995   6.621  -3.310
  133   2HB   TYR  16          1HB       TYR  16   6.217   8.131  -4.185
  134    HD1  TYR  16           HD1      TYR  16   4.630   6.750  -1.106
  135    HD2  TYR  16           HD2      TYR  16   6.365  10.135  -3.018
  136    HE1  TYR  16           HE1      TYR  16   4.525   7.995   1.012
  137    HE2  TYR  16           HE2      TYR  16   6.263  11.388  -0.904
  138    HH   TYR  16           HH       TYR  16   5.883  11.247   1.305
  139    H    ALA  17           H        ALA  17   4.580   9.229  -5.896
  140    HA   ALA  17           HA       ALA  17   3.281  11.373  -4.552
  141   1HB   ALA  17          2HB       ALA  17   4.081  11.189  -7.455
  142   2HB   ALA  17          1HB       ALA  17   3.725  12.661  -6.551
  143   3HB   ALA  17          3HB       ALA  17   5.140  11.693  -6.137
  144    H    GLU  18           H        GLU  18   2.353   9.283  -7.279
  145    HA   GLU  18           HA       GLU  18  -0.125  10.573  -7.768
  146   1HB   GLU  18          2HB       GLU  18   0.861   7.795  -8.443
  147   2HB   GLU  18          1HB       GLU  18  -0.649   8.474  -9.028
  148   1HG   GLU  18          2HG       GLU  18   0.590  10.257 -10.154
  149   2HG   GLU  18          1HG       GLU  18   2.102   9.559  -9.577
  150    H    ALA  19           H        ALA  19   0.828   7.702  -5.950
  151    HA   ALA  19           HA       ALA  19  -1.636   6.759  -5.144
  152   1HB   ALA  19          1HB       ALA  19  -0.177   5.279  -4.332
  153   2HB   ALA  19          2HB       ALA  19   0.008   6.360  -2.949
  154   3HB   ALA  19          3HB       ALA  19   1.125   6.470  -4.311
  155    H    LYS  20           H        LYS  20   0.346   9.332  -3.753
  156    HA   LYS  20           HA       LYS  20  -1.318   9.794  -1.494
  157   1HB   LYS  20          2HB       LYS  20   1.150  10.479  -1.898
  158   2HB   LYS  20          1HB       LYS  20   0.469  11.868  -2.732
  159   1HG   LYS  20          2HG       LYS  20  -0.430  12.759  -0.798
  160   2HG   LYS  20          1HG       LYS  20  -0.419  11.207   0.042
  161   1HD   LYS  20          2HD       LYS  20   2.100  11.314  -0.040
  162   2HD   LYS  20          1HD       LYS  20   1.929  12.981  -0.596
  163   1HE   LYS  20          2HE       LYS  20   1.327  13.737   1.439
  164   2HE   LYS  20          1HE       LYS  20   0.377  12.298   1.804
  165   1HZ   LYS  20          1HZ       LYS  20   2.776  11.244   1.921
  166   2HZ   LYS  20          3HZ       LYS  20   3.202  12.836   2.309
  167   3HZ   LYS  20          2HZ       LYS  20   2.073  12.007   3.257
  168    H    ALA  21           H        ALA  21  -1.205  11.056  -4.766
  169    HA   ALA  21           HA       ALA  21  -2.949  13.240  -4.397
  170   1HB   ALA  21          3HB       ALA  21  -3.299  13.038  -6.886
  171   2HB   ALA  21          1HB       ALA  21  -2.248  11.622  -6.835
  172   3HB   ALA  21          2HB       ALA  21  -1.623  13.202  -6.360
  173    H    VAL  22           H        VAL  22  -3.507   9.847  -5.151
  174    HA   VAL  22           HA       VAL  22  -6.277  10.092  -5.709
  175    HB   VAL  22           HB       VAL  22  -4.464   7.800  -5.081
  176   1HG1  VAL  22          3HG1      VAL  22  -7.472   7.623  -5.215
  177   2HG1  VAL  22          2HG1      VAL  22  -6.368   6.247  -5.234
  178   3HG1  VAL  22          1HG1      VAL  22  -6.462   7.285  -3.810
  179   1HG2  VAL  22          3HG2      VAL  22  -6.040   8.794  -7.402
  180   2HG2  VAL  22          2HG2      VAL  22  -4.370   8.229  -7.327
  181   3HG2  VAL  22          1HG2      VAL  22  -5.696   7.068  -7.285
  182    H    CYS  23           H        CYS  23  -4.523   9.035  -2.802
  183    HA   CYS  23           HA       CYS  23  -6.816   8.640  -1.213
  184   1HB   CYS  23          2HB       CYS  23  -3.934   9.181  -0.491
  185   2HB   CYS  23          1HB       CYS  23  -5.174   8.812   0.698
  186    H    GLU  24           H        GLU  24  -4.491  11.333  -1.330
  187    HA   GLU  24           HA       GLU  24  -5.890  12.993   0.474
  188   1HB   GLU  24          2HB       GLU  24  -3.454  13.112  -0.726
  189   2HB   GLU  24          1HB       GLU  24  -4.328  14.329  -1.646
  190   1HG   GLU  24          2HG       GLU  24  -4.411  15.765   0.076
  191   2HG   GLU  24          1HG       GLU  24  -4.648  14.490   1.269
  192    H    PHE  25           H        PHE  25  -6.406  12.198  -2.815
  193    HA   PHE  25           HA       PHE  25  -7.642  14.420  -3.875
  194   1HB   PHE  25          2HB       PHE  25  -7.288  11.807  -4.660
  195   2HB   PHE  25          1HB       PHE  25  -9.037  11.921  -4.508
  196    HD1  PHE  25           HD1      PHE  25  -6.124  13.639  -6.045
  197    HD2  PHE  25           HD2      PHE  25 -10.293  12.810  -6.235
  198    HE1  PHE  25           HE1      PHE  25  -6.233  14.725  -8.248
  199    HE2  PHE  25           HE2      PHE  25 -10.412  13.897  -8.440
  200    HZ   PHE  25           HZ       PHE  25  -8.381  14.857  -9.450
  201    H    GLU  26           H        GLU  26  -9.137  11.818  -1.985
  202    HA   GLU  26           HA       GLU  26 -11.515  13.509  -1.634
  203   1HB   GLU  26          2HB       GLU  26 -11.289  10.566  -1.014
  204   2HB   GLU  26          1HB       GLU  26 -12.755  11.525  -1.165
  205   1HG   GLU  26          2HG       GLU  26 -12.249  11.863  -3.553
  206   2HG   GLU  26          1HG       GLU  26 -10.848  10.807  -3.377
  207    H    GLY  27           H        GLY  27  -9.569  14.436  -0.153
  208   1HA   GLY  27          1HA       GLY  27 -10.490  14.463   2.436
  209   2HA   GLY  27          2HA       GLY  27  -8.849  14.890   1.980
  210    H    GLY  28           H        GLY  28  -7.954  12.393   1.073
  211   1HA   GLY  28          2HA       GLY  28  -7.853  10.091   1.933
  212   2HA   GLY  28          1HA       GLY  28  -8.129  10.764   3.534
  213    H    HIS  29           H        HIS  29  -6.160   9.465   3.989
  214    HA   HIS  29           HA       HIS  29  -3.711  10.877   3.203
  215   1HB   HIS  29          2HB       HIS  29  -3.227   9.925   5.766
  216   2HB   HIS  29          1HB       HIS  29  -3.536  11.591   5.309
  217    HD1  HIS  29           HD1      HIS  29  -6.496  11.683   4.909
  218    HD2  HIS  29           HD2      HIS  29  -4.713   9.529   7.977
  219    HE1  HIS  29           HE1      HIS  29  -8.275  11.424   6.665
  220    HE2  HIS  29           HE2      HIS  29  -7.205  10.024   8.467
  221    H    LEU  30           H        LEU  30  -1.948   9.638   2.801
  222    HA   LEU  30           HA       LEU  30  -2.162   7.040   1.977
  223   1HB   LEU  30          2HB       LEU  30  -0.101   8.931   2.299
  224   2HB   LEU  30          1HB       LEU  30   0.455   7.468   3.088
  225    HG   LEU  30           HG       LEU  30  -0.649   7.398   0.302
  226   1HD1  LEU  30          1HD1      LEU  30   1.734   8.736   1.142
  227   2HD1  LEU  30          3HD1      LEU  30   2.162   7.314   0.189
  228   3HD1  LEU  30          2HD1      LEU  30   1.083   8.537  -0.485
  229   1HD2  LEU  30          1HD2      LEU  30   0.380   5.499   2.159
  230   2HD2  LEU  30          3HD2      LEU  30  -0.227   5.229   0.524
  231   3HD2  LEU  30          2HD2      LEU  30   1.479   5.595   0.782
  232    H    ALA  31           H        ALA  31  -1.609   5.025   2.848
  233    HA   ALA  31           HA       ALA  31  -2.064   4.824   5.717
  234   1HB   ALA  31          2HB       ALA  31  -2.896   3.299   3.566
  235   2HB   ALA  31          1HB       ALA  31  -1.645   2.310   4.321
  236   3HB   ALA  31          3HB       ALA  31  -3.026   2.861   5.271
  237    H    THR  32           H        THR  32  -0.646   3.719   7.131
  238    HA   THR  32           HA       THR  32   2.140   3.673   6.186
  239    HB   THR  32           HB       THR  32   2.824   3.888   8.506
  240    HG1  THR  32           HG1      THR  32   1.161   4.178  10.116
  241   1HG2  THR  32          3HG2      THR  32   0.831   5.847   7.438
  242   2HG2  THR  32          2HG2      THR  32   1.548   6.097   9.030
  243   3HG2  THR  32          1HG2      THR  32   2.581   6.003   7.603
  244    H    TYR  33           H        TYR  33   3.421   2.147   7.902
  245    HA   TYR  33           HA       TYR  33   2.740  -0.499   7.135
  246   1HB   TYR  33          2HB       TYR  33   5.053   0.041   7.521
  247   2HB   TYR  33          1HB       TYR  33   4.710   0.567   9.161
  248    HD1  TYR  33           HD1      TYR  33   4.311  -2.501   7.049
  249    HD2  TYR  33           HD2      TYR  33   5.251  -0.876  10.870
  250    HE1  TYR  33           HE1      TYR  33   4.803  -4.756   7.879
  251    HE2  TYR  33           HE2      TYR  33   5.751  -3.132  11.710
  252    HH   TYR  33           HH       TYR  33   5.922  -5.289  11.210
  253    H    LYS  34           H        LYS  34   3.109   0.786  10.410
  254    HA   LYS  34           HA       LYS  34   1.839  -1.196  11.801
  255   1HB   LYS  34          2HB       LYS  34   1.968   1.765  12.340
  256   2HB   LYS  34          1HB       LYS  34   1.268   0.630  13.482
  257   1HG   LYS  34          2HG       LYS  34   3.492  -0.596  13.390
  258   2HG   LYS  34          1HG       LYS  34   4.116   0.836  12.570
  259   1HD   LYS  34          2HD       LYS  34   3.254   2.184  14.520
  260   2HD   LYS  34          1HD       LYS  34   2.963   0.651  15.345
  261   1HE   LYS  34          2HE       LYS  34   5.519   0.309  14.525
  262   2HE   LYS  34          1HE       LYS  34   5.489   2.053  14.782
  263   1HZ   LYS  34          1HZ       LYS  34   4.563   0.099  16.810
  264   2HZ   LYS  34          3HZ       LYS  34   6.143   0.699  16.756
  265   3HZ   LYS  34          2HZ       LYS  34   4.848   1.752  17.025
  266    H    GLN  35           H        GLN  35   0.352   1.632  10.249
  267    HA   GLN  35           HA       GLN  35  -2.268   1.162  11.161
  268   1HB   GLN  35          2HB       GLN  35  -1.241   2.595   8.710
  269   2HB   GLN  35          1HB       GLN  35  -2.921   2.611   9.222
  270   1HG   GLN  35          2HG       GLN  35  -2.299   3.685  11.309
  271   2HG   GLN  35          1HG       GLN  35  -0.600   3.627  10.843
  272   1HE2  GLN  35          1HE2      GLN  35  -1.761   5.995  11.520
  273   2HE2  GLN  35          2HE2      GLN  35  -1.911   6.999  10.122
  274    H    LEU  36           H        LEU  36  -0.668   0.312   8.098
  275    HA   LEU  36           HA       LEU  36  -2.834  -1.025   6.938
  276   1HB   LEU  36          2HB       LEU  36  -0.390  -0.296   6.126
  277   2HB   LEU  36          1HB       LEU  36  -0.077  -1.983   6.442
  278    HG   LEU  36           HG       LEU  36  -0.620  -1.594   4.084
  279   1HD1  LEU  36          3HD1      LEU  36  -2.734  -3.109   5.605
  280   2HD1  LEU  36          2HD1      LEU  36  -2.474  -3.219   3.864
  281   3HD1  LEU  36          1HD1      LEU  36  -1.214  -3.746   4.979
  282   1HD2  LEU  36          1HD2      LEU  36  -2.926  -0.189   5.292
  283   2HD2  LEU  36          3HD2      LEU  36  -2.001   0.185   3.838
  284   3HD2  LEU  36          2HD2      LEU  36  -3.221  -1.088   3.803
  285    H    GLU  37           H        GLU  37  -0.431  -1.956   9.261
  286    HA   GLU  37           HA       GLU  37  -0.795  -4.757   9.194
  287   1HB   GLU  37          2HB       GLU  37   1.137  -3.633  10.256
  288   2HB   GLU  37          1HB       GLU  37   0.070  -3.003  11.499
  289   1HG   GLU  37          2HG       GLU  37  -0.511  -5.562  11.782
  290   2HG   GLU  37          1HG       GLU  37   1.103  -5.749  11.100
  291    H    ALA  38           H        ALA  38  -1.958  -2.345  11.507
  292    HA   ALA  38           HA       ALA  38  -3.631  -3.943  13.003
  293   1HB   ALA  38          2HB       ALA  38  -3.301  -1.831  13.887
  294   2HB   ALA  38          1HB       ALA  38  -3.660  -1.024  12.361
  295   3HB   ALA  38          3HB       ALA  38  -4.965  -1.735  13.309
  296    H    ALA  39           H        ALA  39  -4.040  -2.767   9.790
  297    HA   ALA  39           HA       ALA  39  -6.901  -3.319   9.732
  298   1HB   ALA  39          1HB       ALA  39  -5.058  -2.545   7.470
  299   2HB   ALA  39          2HB       ALA  39  -5.960  -1.406   8.471
  300   3HB   ALA  39          3HB       ALA  39  -6.821  -2.548   7.439
  301    H    ARG  40           H        ARG  40  -3.881  -4.728   8.834
  302    HA   ARG  40           HA       ARG  40  -4.855  -6.789   7.148
  303   1HB   ARG  40          2HB       ARG  40  -2.577  -6.214   6.931
  304   2HB   ARG  40          1HB       ARG  40  -2.312  -6.293   8.668
  305   1HG   ARG  40          2HG       ARG  40  -3.180  -8.852   7.802
  306   2HG   ARG  40          1HG       ARG  40  -1.903  -8.310   6.714
  307   1HD   ARG  40          2HD       ARG  40  -0.380  -8.009   8.507
  308   2HD   ARG  40          1HD       ARG  40  -1.655  -8.201   9.708
  309    HE   ARG  40           HE       ARG  40  -1.510 -10.541   8.177
  310   1HH1  ARG  40          1HH1      ARG  40   0.363  -8.767  10.518
  311   2HH1  ARG  40          2HH1      ARG  40   1.154 -10.174  11.143
  312   1HH2  ARG  40          1HH2      ARG  40  -0.473 -12.401   8.993
  313   2HH2  ARG  40          2HH2      ARG  40   0.679 -12.240  10.276
  314    H    LYS  41           H        LYS  41  -4.309  -6.406  10.577
  315    HA   LYS  41           HA       LYS  41  -4.545  -9.123  11.290
  316   1HB   LYS  41          2HB       LYS  41  -5.164  -6.717  13.003
  317   2HB   LYS  41          1HB       LYS  41  -4.779  -8.337  13.568
  318   1HG   LYS  41          2HG       LYS  41  -2.590  -7.856  12.110
  319   2HG   LYS  41          1HG       LYS  41  -3.007  -6.206  12.568
  320   1HD   LYS  41          2HD       LYS  41  -3.174  -7.047  14.950
  321   2HD   LYS  41          1HD       LYS  41  -2.427  -8.539  14.376
  322   1HE   LYS  41          2HE       LYS  41  -0.944  -6.270  13.436
  323   2HE   LYS  41          1HE       LYS  41  -1.148  -6.174  15.185
  324   1HZ   LYS  41          2HZ       LYS  41  -0.479  -8.811  14.485
  325   2HZ   LYS  41          1HZ       LYS  41   0.634  -7.768  13.756
  326   3HZ   LYS  41          3HZ       LYS  41   0.398  -7.718  15.431
  327    H    ILE  42           H        ILE  42  -6.853  -6.782  10.356
  328    HA   ILE  42           HA       ILE  42  -9.077  -8.127  11.659
  329    HB   ILE  42           HB       ILE  42 -10.440  -6.364  10.896
  330   1HG1  ILE  42          2HG1      ILE  42  -8.510  -4.961   9.200
  331   2HG1  ILE  42          1HG1      ILE  42  -8.958  -6.541   8.575
  332   1HG2  ILE  42          1HG2      ILE  42  -7.679  -5.405  11.596
  333   2HG2  ILE  42          3HG2      ILE  42  -9.031  -4.290  11.388
  334   3HG2  ILE  42          2HG2      ILE  42  -9.099  -5.534  12.637
  335   1HD1  ILE  42          1HD1      ILE  42 -11.391  -5.673   9.093
  336   2HD1  ILE  42          3HD1      ILE  42 -10.605  -4.104   8.924
  337   3HD1  ILE  42          2HD1      ILE  42 -10.557  -5.260   7.595
  338    H    GLY  43           H        GLY  43  -7.404  -8.116   8.656
  339   1HA   GLY  43          1HA       GLY  43  -9.610  -9.511   7.306
  340   2HA   GLY  43          2HA       GLY  43  -8.055 -10.318   7.466
  341    H    PHE  44           H        PHE  44  -6.911  -7.407   7.182
  342    HA   PHE  44           HA       PHE  44  -7.495  -6.684   4.490
  343   1HB   PHE  44          2HB       PHE  44  -6.482  -5.255   6.438
  344   2HB   PHE  44          1HB       PHE  44  -4.952  -5.904   5.866
  345    HD1  PHE  44           HD1      PHE  44  -6.845  -5.809   3.031
  346    HD2  PHE  44           HD2      PHE  44  -4.964  -3.152   5.773
  347    HE1  PHE  44           HE1      PHE  44  -6.762  -4.077   1.288
  348    HE2  PHE  44           HE2      PHE  44  -4.880  -1.412   4.030
  349    HZ   PHE  44           HZ       PHE  44  -5.780  -1.876   1.787
  350    H    HIS  45           H        HIS  45  -6.469  -7.190   2.614
  351    HA   HIS  45           HA       HIS  45  -3.922  -8.514   2.568
  352   1HB   HIS  45          2HB       HIS  45  -5.365 -10.408   3.150
  353   2HB   HIS  45          1HB       HIS  45  -6.393 -10.064   1.765
  354    HD1  HIS  45           HD1      HIS  45  -4.922 -12.789   2.182
  355    HD2  HIS  45           HD2      HIS  45  -3.560  -9.670  -0.203
  356    HE1  HIS  45           HE1      HIS  45  -3.388 -13.852   0.496
  357    HE2  HIS  45           HE2      HIS  45  -2.649 -11.959  -0.992
  358    H    VAL  46           H        VAL  46  -2.910  -7.837   0.797
  359    HA   VAL  46           HA       VAL  46  -4.383  -7.531  -1.695
  360    HB   VAL  46           HB       VAL  46  -2.579  -5.259  -1.188
  361   1HG1  VAL  46          3HG1      VAL  46  -4.506  -5.938  -3.028
  362   2HG1  VAL  46          2HG1      VAL  46  -5.318  -4.738  -2.020
  363   3HG1  VAL  46          1HG1      VAL  46  -3.796  -4.337  -2.816
  364   1HG2  VAL  46          1HG2      VAL  46  -3.672  -5.466   1.012
  365   2HG2  VAL  46          3HG2      VAL  46  -4.146  -3.997   0.158
  366   3HG2  VAL  46          2HG2      VAL  46  -5.244  -5.378   0.218
  367    H    CYS  47           H        CYS  47  -3.240  -8.957  -2.868
  368    HA   CYS  47           HA       CYS  47  -0.423  -9.324  -2.592
  369   1HB   CYS  47          2HB       CYS  47  -2.444 -10.839  -3.621
  370   2HB   CYS  47          1HB       CYS  47  -1.679 -10.249  -5.093
  371    H    ALA  48           H        ALA  48   0.068  -6.987  -2.861
  372    HA   ALA  48           HA       ALA  48   1.287  -6.481  -5.332
  373   1HB   ALA  48          2HB       ALA  48  -1.227  -6.171  -5.858
  374   2HB   ALA  48          3HB       ALA  48  -0.079  -4.955  -6.421
  375   3HB   ALA  48          1HB       ALA  48  -1.054  -4.648  -4.985
  376    H    ALA  49           H        ALA  49   2.748  -4.848  -5.142
  377    HA   ALA  49           HA       ALA  49   3.431  -3.868  -2.630
  378   1HB   ALA  49          1HB       ALA  49   5.263  -3.242  -3.720
  379   2HB   ALA  49          3HB       ALA  49   4.491  -3.744  -5.224
  380   3HB   ALA  49          2HB       ALA  49   4.349  -2.074  -4.674
  381    H    GLY  50           H        GLY  50   2.380  -2.466  -1.382
  382   1HA   GLY  50          2HA       GLY  50   0.397  -1.052  -1.150
  383   2HA   GLY  50          1HA       GLY  50   0.808  -0.345  -2.704
  384    H    TRP  51           H        TRP  51   1.557   1.642  -2.537
  385    HA   TRP  51           HA       TRP  51   3.805   2.396  -1.102
  386   1HB   TRP  51          2HB       TRP  51   1.543   3.943  -2.319
  387   2HB   TRP  51          1HB       TRP  51   2.801   4.775  -1.407
  388    HD1  TRP  51           HD1      TRP  51   2.054   3.422  -4.786
  389    HE1  TRP  51           HE1      TRP  51   4.147   3.588  -6.287
  390    HE3  TRP  51           HE3      TRP  51   5.529   4.538  -1.212
  391    HZ2  TRP  51           HZ2      TRP  51   6.907   4.125  -5.986
  392    HZ3  TRP  51           HZ3      TRP  51   7.870   4.863  -1.892
  393    HH2  TRP  51           HH2      TRP  51   8.544   4.658  -4.232
  394    H    MET  52           H        MET  52   4.174   3.455   0.808
  395    HA   MET  52           HA       MET  52   2.067   4.268   2.561
  396   1HB   MET  52          2HB       MET  52   3.249   2.517   4.306
  397   2HB   MET  52          1HB       MET  52   1.706   2.259   3.506
  398   1HG   MET  52          2HG       MET  52   2.545   0.716   2.069
  399   2HG   MET  52          1HG       MET  52   4.156   1.432   2.062
  400   1HE   MET  52          2HE       MET  52   1.796  -1.049   3.225
  401   2HE   MET  52          1HE       MET  52   3.166  -2.013   2.674
  402   3HE   MET  52          3HE       MET  52   2.666  -2.076   4.364
  403    H    ALA  53           H        ALA  53   3.098   4.703   4.847
  404    HA   ALA  53           HA       ALA  53   4.510   6.070   6.000
  405   1HB   ALA  53          1HB       ALA  53   6.882   4.942   4.641
  406   2HB   ALA  53          3HB       ALA  53   6.548   5.154   6.361
  407   3HB   ALA  53          2HB       ALA  53   5.814   3.814   5.479
  408    H    LYS  54           H        LYS  54   6.959   7.175   5.432
  409    HA   LYS  54           HA       LYS  54   6.236   9.433   3.908
  410   1HB   LYS  54          2HB       LYS  54   8.378   8.660   5.611
  411   2HB   LYS  54          1HB       LYS  54   9.077   9.262   4.115
  412   1HG   LYS  54          2HG       LYS  54   8.776  11.326   4.843
  413   2HG   LYS  54          1HG       LYS  54   7.033  11.060   4.820
  414   1HD   LYS  54          2HD       LYS  54   7.603   9.856   7.133
  415   2HD   LYS  54          1HD       LYS  54   8.934  11.014   7.091
  416   1HE   LYS  54          2HE       LYS  54   7.585  12.758   7.485
  417   2HE   LYS  54          1HE       LYS  54   6.346  12.167   6.379
  418   1HZ   LYS  54          1HZ       LYS  54   5.765  10.528   8.177
  419   2HZ   LYS  54          3HZ       LYS  54   6.751  11.427   9.216
  420   3HZ   LYS  54          2HZ       LYS  54   5.392  12.144   8.509
  421    H    GLY  55           H        GLY  55   7.132   6.403   2.839
  422   1HA   GLY  55          1HA       GLY  55   8.687   7.251   0.553
  423   2HA   GLY  55          2HA       GLY  55   7.020   6.836   0.175
  424    H    ARG  56           H        ARG  56   7.299   4.853   2.555
  425    HA   ARG  56           HA       ARG  56   8.999   2.844   1.296
  426   1HB   ARG  56          2HB       ARG  56   9.173   1.850   3.332
  427   2HB   ARG  56          1HB       ARG  56   8.712   3.450   3.894
  428   1HG   ARG  56          2HG       ARG  56   6.440   2.768   4.186
  429   2HG   ARG  56          1HG       ARG  56   6.758   1.214   3.414
  430   1HD   ARG  56          2HD       ARG  56   6.737   0.794   5.737
  431   2HD   ARG  56          1HD       ARG  56   8.432   0.781   5.252
  432    HE   ARG  56           HE       ARG  56   7.984   3.347   6.048
  433   1HH1  ARG  56          2HH1      ARG  56   7.560   0.217   7.516
  434   2HH1  ARG  56          1HH1      ARG  56   7.830   0.792   9.127
  435   1HH2  ARG  56          2HH2      ARG  56   8.341   4.116   8.166
  436   2HH2  ARG  56          1HH2      ARG  56   8.274   3.009   9.497
  437    H    VAL  57           H        VAL  57   8.246   1.174   0.153
  438    HA   VAL  57           HA       VAL  57   5.332   0.725   0.138
  439    HB   VAL  57           HB       VAL  57   5.514   1.332  -2.025
  440   1HG1  VAL  57          2HG1      VAL  57   8.420   0.846  -1.621
  441   2HG1  VAL  57          1HG1      VAL  57   7.798   0.927  -3.269
  442   3HG1  VAL  57          3HG1      VAL  57   7.580   2.295  -2.176
  443   1HG2  VAL  57          2HG2      VAL  57   5.253  -1.229  -1.936
  444   2HG2  VAL  57          1HG2      VAL  57   5.641  -0.477  -3.482
  445   3HG2  VAL  57          3HG2      VAL  57   6.908  -1.268  -2.545
  446    H    GLY  58           H        GLY  58   4.720  -1.186   0.895
  447   1HA   GLY  58          2HA       GLY  58   5.609  -3.168   2.118
  448   2HA   GLY  58          1HA       GLY  58   6.630  -3.437   0.712
  449    H    TYR  59           H        TYR  59   5.088  -5.487   1.561
  450    HA   TYR  59           HA       TYR  59   2.656  -5.495  -0.057
  451   1HB   TYR  59          2HB       TYR  59   4.158  -7.957  -0.464
  452   2HB   TYR  59          1HB       TYR  59   3.377  -6.909  -1.646
  453    HD1  TYR  59           HD1      TYR  59   4.627  -4.884  -2.484
  454    HD2  TYR  59           HD2      TYR  59   6.500  -7.930  -0.181
  455    HE1  TYR  59           HE1      TYR  59   6.827  -4.110  -3.262
  456    HE2  TYR  59           HE2      TYR  59   8.705  -7.163  -0.951
  457    HH   TYR  59           HH       TYR  59   9.321  -4.297  -2.206
  458    HA   PRO  60           HA       PRO  60   1.929  -7.791   3.814
  459   1HB   PRO  60          2HB       PRO  60  -0.535  -6.821   4.274
  460   2HB   PRO  60          1HB       PRO  60   0.920  -5.902   4.663
  461   1HG   PRO  60          2HG       PRO  60  -0.956  -5.605   2.370
  462   2HG   PRO  60          1HG       PRO  60  -0.093  -4.359   3.284
  463   1HD   PRO  60          2HD       PRO  60   0.670  -5.354   0.804
  464   2HD   PRO  60          1HD       PRO  60   1.731  -4.490   1.931
  465    H    ILE  61           H        ILE  61   1.199  -9.825   3.807
  466    HA   ILE  61           HA       ILE  61  -1.184 -10.511   2.253
  467    HB   ILE  61           HB       ILE  61   1.414 -12.035   2.018
  468   1HG1  ILE  61          1HG1      ILE  61   1.287  -9.852   0.764
  469   2HG1  ILE  61          2HG1      ILE  61   1.523 -11.273  -0.249
  470   1HG2  ILE  61          1HG2      ILE  61  -0.832 -13.292   1.991
  471   2HG2  ILE  61          3HG2      ILE  61  -1.066 -12.535   0.415
  472   3HG2  ILE  61          2HG2      ILE  61   0.317 -13.595   0.688
  473   1HD1  ILE  61          2HD1      ILE  61  -1.186 -11.062  -0.228
  474   2HD1  ILE  61          1HD1      ILE  61  -0.687  -9.371  -0.161
  475   3HD1  ILE  61          3HD1      ILE  61  -0.124 -10.406  -1.473
  476    H    VAL  62           H        VAL  62  -2.487 -11.248   3.818
  477    HA   VAL  62           HA       VAL  62  -1.583 -12.490   6.203
  478    HB   VAL  62           HB       VAL  62  -4.054 -13.175   6.402
  479   1HG1  VAL  62          1HG1      VAL  62  -2.695 -10.804   6.922
  480   2HG1  VAL  62          3HG1      VAL  62  -4.208 -10.300   6.170
  481   3HG1  VAL  62          2HG1      VAL  62  -4.235 -11.316   7.611
  482   1HG2  VAL  62          3HG2      VAL  62  -3.995 -12.054   3.721
  483   2HG2  VAL  62          2HG2      VAL  62  -5.224 -13.044   4.508
  484   3HG2  VAL  62          1HG2      VAL  62  -5.213 -11.298   4.748
  485    H    LYS  63           H        LYS  63  -2.868 -13.724   3.155
  486    HA   LYS  63           HA       LYS  63  -2.379 -16.469   4.089
  487   1HB   LYS  63          2HB       LYS  63  -4.655 -15.624   3.081
  488   2HB   LYS  63          1HB       LYS  63  -3.828 -15.842   1.546
  489   1HG   LYS  63          2HG       LYS  63  -4.530 -17.946   1.628
  490   2HG   LYS  63          1HG       LYS  63  -3.309 -18.195   2.878
  491   1HD   LYS  63          2HD       LYS  63  -5.293 -17.171   4.374
  492   2HD   LYS  63          1HD       LYS  63  -6.245 -17.950   3.110
  493   1HE   LYS  63          2HE       LYS  63  -4.207 -19.757   3.873
  494   2HE   LYS  63          1HE       LYS  63  -4.932 -19.128   5.350
  495   1HZ   LYS  63          2HZ       LYS  63  -6.850 -19.854   3.330
  496   2HZ   LYS  63          1HZ       LYS  63  -5.923 -21.157   3.880
  497   3HZ   LYS  63          3HZ       LYS  63  -6.819 -20.233   4.978
  498    HA   PRO  64           HA       PRO  64   1.416 -15.798   1.617
  499   1HB   PRO  64          2HB       PRO  64   1.735 -18.584   2.617
  500   2HB   PRO  64          1HB       PRO  64   2.898 -17.257   2.596
  501   1HG   PRO  64          2HG       PRO  64   1.674 -17.989   4.853
  502   2HG   PRO  64          1HG       PRO  64   2.032 -16.290   4.505
  503   1HD   PRO  64          1HD       PRO  64  -0.565 -17.735   4.423
  504   2HD   PRO  64          2HD       PRO  64  -0.227 -16.034   4.804
  505    H    GLY  65           H        GLY  65   0.741 -15.863  -0.480
  506   1HA   GLY  65          2HA       GLY  65  -0.004 -16.730  -2.488
  507   2HA   GLY  65          1HA       GLY  65  -0.579 -18.145  -1.618
  508    HA   PRO  66           HA       PRO  66   2.951 -20.377  -3.062
  509   1HB   PRO  66          2HB       PRO  66   1.955 -21.685  -5.163
  510   2HB   PRO  66          1HB       PRO  66   1.343 -21.989  -3.534
  511   1HG   PRO  66          2HG       PRO  66   0.164 -20.325  -5.726
  512   2HG   PRO  66          1HG       PRO  66  -0.644 -21.439  -4.610
  513   1HD   PRO  66          1HD       PRO  66  -0.555 -18.696  -4.293
  514   2HD   PRO  66          2HD       PRO  66  -0.819 -19.854  -2.978
  515    H    ASN  67           H        ASN  67   1.176 -18.896  -5.766
  516    HA   ASN  67           HA       ASN  67   3.722 -18.376  -7.124
  517   1HB   ASN  67          2HB       ASN  67   2.635 -18.861  -9.019
  518   2HB   ASN  67          1HB       ASN  67   1.257 -19.337  -8.036
  519   1HD2  ASN  67          1HD2      ASN  67  -0.147 -17.465  -7.334
  520   2HD2  ASN  67          2HD2      ASN  67  -0.499 -16.278  -8.539
  521    H    CYS  68           H        CYS  68   1.249 -16.849  -5.353
  522    HA   CYS  68           HA       CYS  68   1.621 -14.230  -6.524
  523   1HB   CYS  68          2HB       CYS  68  -0.490 -15.330  -5.287
  524   2HB   CYS  68          1HB       CYS  68   0.254 -14.535  -3.904
  525    H    GLY  69           H        GLY  69   1.518 -14.710  -3.053
  526   1HA   GLY  69          1HA       GLY  69   2.828 -13.752  -1.410
  527   2HA   GLY  69          2HA       GLY  69   3.698 -12.888  -2.671
  528    H    PHE  70           H        PHE  70   3.738 -16.032  -3.585
  529    HA   PHE  70           HA       PHE  70   5.371 -17.612  -3.684
  530   1HB   PHE  70          2HB       PHE  70   6.763 -15.155  -3.297
  531   2HB   PHE  70          1HB       PHE  70   7.556 -16.388  -2.323
  532    HD1  PHE  70           HD1      PHE  70   6.106 -16.055  -5.749
  533    HD2  PHE  70           HD2      PHE  70   9.276 -17.518  -3.316
  534    HE1  PHE  70           HE1      PHE  70   7.254 -16.894  -7.756
  535    HE2  PHE  70           HE2      PHE  70  10.430 -18.360  -5.320
  536    HZ   PHE  70           HZ       PHE  70   9.420 -18.048  -7.543
  537    H    GLY  71           H        GLY  71   4.080 -16.446  -0.890
  538   1HA   GLY  71          1HA       GLY  71   5.183 -18.712   0.639
  539   2HA   GLY  71          2HA       GLY  71   3.596 -17.995   0.894
  540    H    LYS  72           H        LYS  72   4.691 -15.253   0.687
  541    HA   LYS  72           HA       LYS  72   6.558 -14.999   2.870
  542   1HB   LYS  72          2HB       LYS  72   5.099 -13.021   1.132
  543   2HB   LYS  72          1HB       LYS  72   6.059 -12.508   2.513
  544   1HG   LYS  72          2HG       LYS  72   7.390 -14.335   0.624
  545   2HG   LYS  72          1HG       LYS  72   7.025 -12.716   0.023
  546   1HD   LYS  72          2HD       LYS  72   8.074 -11.933   2.270
  547   2HD   LYS  72          1HD       LYS  72   8.800 -13.542   2.285
  548   1HE   LYS  72          2HE       LYS  72   9.071 -11.491   0.090
  549   2HE   LYS  72          1HE       LYS  72  10.305 -11.904   1.281
  550   1HZ   LYS  72          3HZ       LYS  72  10.154 -14.233   0.384
  551   2HZ   LYS  72          2HZ       LYS  72   9.241 -13.607  -0.895
  552   3HZ   LYS  72          1HZ       LYS  72  10.834 -13.089  -0.663
  553    H    THR  73           H        THR  73   6.148 -13.855   4.827
  554    HA   THR  73           HA       THR  73   3.317 -13.845   5.643
  555    HB   THR  73           HB       THR  73   4.627 -14.227   7.997
  556    HG1  THR  73           HG1      THR  73   6.506 -14.696   6.379
  557   1HG2  THR  73          2HG2      THR  73   2.620 -15.414   7.041
  558   2HG2  THR  73          1HG2      THR  73   3.746 -16.495   6.219
  559   3HG2  THR  73          3HG2      THR  73   3.715 -16.428   7.981
  560    H    GLY  74           H        GLY  74   2.591 -12.014   6.547
  561   1HA   GLY  74          2HA       GLY  74   4.381 -10.203   7.928
  562   2HA   GLY  74          1HA       GLY  74   2.641 -10.017   7.745
  563    H    ILE  75           H        ILE  75   3.779  -7.742   7.445
  564    HA   ILE  75           HA       ILE  75   3.427  -7.089   4.681
  565    HB   ILE  75           HB       ILE  75   4.542  -5.228   6.763
  566   1HG1  ILE  75          2HG1      ILE  75   1.979  -6.561   6.766
  567   2HG1  ILE  75          1HG1      ILE  75   2.673  -5.484   7.970
  568   1HG2  ILE  75          1HG2      ILE  75   4.223  -4.811   4.151
  569   2HG2  ILE  75          3HG2      ILE  75   2.600  -4.386   4.699
  570   3HG2  ILE  75          2HG2      ILE  75   4.002  -3.543   5.358
  571   1HD1  ILE  75          2HD1      ILE  75   1.909  -3.573   6.511
  572   2HD1  ILE  75          1HD1      ILE  75   0.987  -4.768   5.599
  573   3HD1  ILE  75          3HD1      ILE  75   0.645  -4.509   7.310
  574    H    ILE  76           H        ILE  76   5.012  -7.914   3.401
  575    HA   ILE  76           HA       ILE  76   7.774  -7.882   4.075
  576    HB   ILE  76           HB       ILE  76   6.735  -8.069   1.262
  577   1HG1  ILE  76          2HG1      ILE  76   5.311  -9.549   2.520
  578   2HG1  ILE  76          1HG1      ILE  76   6.501 -10.528   1.668
  579   1HG2  ILE  76          1HG2      ILE  76   9.232  -8.030   1.979
  580   2HG2  ILE  76          3HG2      ILE  76   8.931  -9.699   2.464
  581   3HG2  ILE  76          2HG2      ILE  76   8.686  -9.210   0.787
  582   1HD1  ILE  76          3HD1      ILE  76   7.497  -9.851   4.258
  583   2HD1  ILE  76          2HD1      ILE  76   5.886 -10.554   4.396
  584   3HD1  ILE  76          1HD1      ILE  76   7.165 -11.439   3.564
  585    H    ASP  77           H        ASP  77   8.193  -5.708   4.651
  586    HA   ASP  77           HA       ASP  77   8.320  -3.853   2.364
  587   1HB   ASP  77          2HB       ASP  77   6.872  -2.782   3.828
  588   2HB   ASP  77          1HB       ASP  77   7.688  -3.407   5.257
  589    H    TYR  78           H        TYR  78  10.240  -2.974   1.842
  590    HA   TYR  78           HA       TYR  78  12.543  -3.679   3.537
  591   1HB   TYR  78          2HB       TYR  78  12.573  -3.060   0.578
  592   2HB   TYR  78          1HB       TYR  78  13.907  -3.681   1.544
  593    HD1  TYR  78           HD1      TYR  78  10.380  -4.594   0.692
  594    HD2  TYR  78           HD2      TYR  78  14.354  -5.937   1.403
  595    HE1  TYR  78           HE1      TYR  78   9.692  -6.891   0.153
  596    HE2  TYR  78           HE2      TYR  78  13.677  -8.239   0.864
  597    HH   TYR  78           HH       TYR  78  11.133  -9.486   0.988
  598    H    GLY  79           H        GLY  79  10.717  -1.270   3.591
  599   1HA   GLY  79          2HA       GLY  79  12.737   0.672   4.102
  600   2HA   GLY  79          1HA       GLY  79  10.998   0.955   4.123
  601    H    ILE  80           H        ILE  80  11.896   3.040   3.157
  602    HA   ILE  80           HA       ILE  80  11.133   3.268   0.512
  603    HB   ILE  80           HB       ILE  80  13.149   5.078   1.820
  604   1HG1  ILE  80          2HG1      ILE  80  10.158   4.924   2.209
  605   2HG1  ILE  80          1HG1      ILE  80  11.406   4.751   3.435
  606   1HG2  ILE  80          2HG2      ILE  80  11.176   5.338  -0.411
  607   2HG2  ILE  80          1HG2      ILE  80  11.676   6.761   0.502
  608   3HG2  ILE  80          3HG2      ILE  80  12.876   5.800  -0.361
  609   1HD1  ILE  80          3HD1      ILE  80  12.037   7.112   3.056
  610   2HD1  ILE  80          2HD1      ILE  80  10.668   7.256   1.955
  611   3HD1  ILE  80          1HD1      ILE  80  10.394   6.898   3.659
  612    H    ARG  81           H        ARG  81  12.302   3.662  -1.410
  613    HA   ARG  81           HA       ARG  81  15.070   2.665  -1.430
  614   1HB   ARG  81          2HB       ARG  81  13.127   2.028  -3.638
  615   2HB   ARG  81          1HB       ARG  81  14.682   1.280  -3.298
  616   1HG   ARG  81          2HG       ARG  81  12.876   0.981  -1.068
  617   2HG   ARG  81          1HG       ARG  81  12.174   0.348  -2.559
  618   1HD   ARG  81          2HD       ARG  81  14.903  -0.356  -1.485
  619   2HD   ARG  81          1HD       ARG  81  13.457  -1.349  -1.307
  620    HE   ARG  81           HE       ARG  81  13.462  -1.366  -3.844
  621   1HH1  ARG  81          1HH1      ARG  81  16.360  -1.081  -1.932
  622   2HH1  ARG  81          2HH1      ARG  81  17.379  -1.799  -3.134
  623   1HH2  ARG  81          2HH2      ARG  81  14.795  -2.313  -5.434
  624   2HH2  ARG  81          1HH2      ARG  81  16.489  -2.500  -5.126
  625    H    LEU  82           H        LEU  82  13.552   5.342  -1.678
  626    HA   LEU  82           HA       LEU  82  13.770   7.303  -2.811
  627   1HB   LEU  82          2HB       LEU  82  16.343   5.890  -3.313
  628   2HB   LEU  82          1HB       LEU  82  16.011   7.343  -4.232
  629    HG   LEU  82           HG       LEU  82  17.358   7.864  -2.283
  630   1HD1  LEU  82          3HD1      LEU  82  14.519   8.851  -2.200
  631   2HD1  LEU  82          2HD1      LEU  82  15.794   9.508  -1.176
  632   3HD1  LEU  82          1HD1      LEU  82  15.924   9.626  -2.930
  633   1HD2  LEU  82          1HD2      LEU  82  16.000   5.879  -1.021
  634   2HD2  LEU  82          3HD2      LEU  82  17.000   7.086  -0.211
  635   3HD2  LEU  82          2HD2      LEU  82  15.254   7.315  -0.318
  636    H    ASN  83           H        ASN  83  12.411   5.013  -4.106
  637    HA   ASN  83           HA       ASN  83  12.692   5.888  -6.907
  638   1HB   ASN  83          2HB       ASN  83  12.707   3.224  -5.753
  639   2HB   ASN  83          1HB       ASN  83  11.436   3.396  -6.960
  640   1HD2  ASN  83          1HD2      ASN  83  12.305   4.764  -8.928
  641   2HD2  ASN  83          2HD2      ASN  83  13.785   4.168  -9.592
  642    H    ARG  84           H        ARG  84  11.094   7.475  -5.634
  643    HA   ARG  84           HA       ARG  84   8.436   6.616  -5.228
  644   1HB   ARG  84          2HB       ARG  84   9.586   9.356  -5.772
  645   2HB   ARG  84          1HB       ARG  84   7.916   9.062  -5.318
  646   1HG   ARG  84          2HG       ARG  84   8.644   8.106  -3.200
  647   2HG   ARG  84          1HG       ARG  84  10.326   8.371  -3.656
  648   1HD   ARG  84          2HD       ARG  84   8.816  10.800  -3.946
  649   2HD   ARG  84          1HD       ARG  84   8.616  10.145  -2.321
  650    HE   ARG  84           HE       ARG  84  11.248  10.008  -2.571
  651   1HH1  ARG  84          1HH1      ARG  84   9.054  12.570  -3.437
  652   2HH1  ARG  84          2HH1      ARG  84  10.213  13.829  -3.171
  653   1HH2  ARG  84          1HH2      ARG  84  12.783  11.661  -2.219
  654   2HH2  ARG  84          2HH2      ARG  84  12.333  13.312  -2.481
  655    H    SER  85           H        SER  85  10.149   6.710  -8.018
  656    HA   SER  85           HA       SER  85   7.920   7.573  -9.705
  657   1HB   SER  85          2HB       SER  85  10.281   8.376 -10.138
  658   2HB   SER  85          1HB       SER  85  10.678   6.722 -10.603
  659    HG   SER  85           HG       SER  85  10.086   8.079 -12.387
  660    H    GLU  86           H        GLU  86   8.625   4.862  -8.158
  661    HA   GLU  86           HA       GLU  86   8.600   2.875 -10.183
  662   1HB   GLU  86          2HB       GLU  86   8.158   2.911  -7.228
  663   2HB   GLU  86          1HB       GLU  86   7.679   1.482  -8.133
  664   1HG   GLU  86          2HG       GLU  86  10.386   2.516  -8.674
  665   2HG   GLU  86          1HG       GLU  86  10.114   1.826  -7.074
  666    H    ARG  87           H        ARG  87   6.661   1.112  -9.798
  667    HA   ARG  87           HA       ARG  87   4.122   2.567 -10.000
  668   1HB   ARG  87          2HB       ARG  87   3.518   0.951 -11.874
  669   2HB   ARG  87          1HB       ARG  87   4.613   2.267 -12.267
  670   1HG   ARG  87          2HG       ARG  87   6.218   0.113 -11.445
  671   2HG   ARG  87          1HG       ARG  87   5.003  -0.547 -12.541
  672   1HD   ARG  87          2HD       ARG  87   6.674   1.881 -13.163
  673   2HD   ARG  87          1HD       ARG  87   7.117   0.242 -13.640
  674    HE   ARG  87           HE       ARG  87   4.690   1.638 -14.568
  675   1HH1  ARG  87          1HH1      ARG  87   7.299  -0.621 -15.038
  676   2HH1  ARG  87          2HH1      ARG  87   6.843  -1.008 -16.664
  677   1HH2  ARG  87          1HH2      ARG  87   4.082   1.137 -16.708
  678   2HH2  ARG  87          2HH2      ARG  87   5.014  -0.007 -17.614
  679    H    TRP  88           H        TRP  88   2.865   1.825  -8.475
  680    HA   TRP  88           HA       TRP  88   2.356  -1.017  -8.214
  681   1HB   TRP  88          2HB       TRP  88   3.019   0.471  -5.687
  682   2HB   TRP  88          1HB       TRP  88   2.937  -1.265  -5.955
  683    HD1  TRP  88           HD1      TRP  88   5.340   1.578  -5.847
  684    HE1  TRP  88           HE1      TRP  88   7.700   0.758  -6.469
  685    HE3  TRP  88           HE3      TRP  88   4.144  -3.062  -7.631
  686    HZ2  TRP  88           HZ2      TRP  88   8.896  -1.551  -7.569
  687    HZ3  TRP  88           HZ3      TRP  88   5.955  -4.514  -8.448
  688    HH2  TRP  88           HH2      TRP  88   8.281  -3.773  -8.417
  689    H    ASP  89           H        ASP  89   1.031  -0.716  -5.666
  690    HA   ASP  89           HA       ASP  89  -1.352   0.705  -6.589
  691   1HB   ASP  89          2HB       ASP  89  -1.764  -0.647  -4.094
  692   2HB   ASP  89          1HB       ASP  89  -2.478  -0.994  -5.667
  693    H    ALA  90           H        ALA  90  -2.617   1.302  -4.246
  694    HA   ALA  90           HA       ALA  90  -0.771   2.938  -2.676
  695   1HB   ALA  90          3HB       ALA  90  -1.438   4.450  -4.408
  696   2HB   ALA  90          1HB       ALA  90  -2.260   4.916  -2.919
  697   3HB   ALA  90          2HB       ALA  90  -3.139   4.044  -4.176
  698    H    TYR  91           H        TYR  91  -1.196   2.640  -0.587
  699    HA   TYR  91           HA       TYR  91  -3.763   1.535   0.226
  700   1HB   TYR  91          2HB       TYR  91  -1.092   1.876   1.559
  701   2HB   TYR  91          1HB       TYR  91  -2.527   1.537   2.515
  702    HD1  TYR  91           HD1      TYR  91  -3.964  -0.528   1.586
  703    HD2  TYR  91           HD2      TYR  91   0.187   0.092   0.889
  704    HE1  TYR  91           HE1      TYR  91  -3.687  -2.928   1.132
  705    HE2  TYR  91           HE2      TYR  91   0.474  -2.308   0.436
  706    HH   TYR  91           HH       TYR  91  -1.304  -4.242  -0.437
  707    H    CYS  92           H        CYS  92  -5.331   3.010   0.506
  708    HA   CYS  92           HA       CYS  92  -4.733   5.690   1.396
  709   1HB   CYS  92          2HB       CYS  92  -7.186   4.242   0.480
  710   2HB   CYS  92          1HB       CYS  92  -7.369   5.743   1.380
  711    H    TYR  93           H        TYR  93  -6.009   6.674   3.189
  712    HA   TYR  93           HA       TYR  93  -6.855   4.891   5.305
  713   1HB   TYR  93          2HB       TYR  93  -4.394   5.043   5.606
  714   2HB   TYR  93          1HB       TYR  93  -4.543   6.791   5.754
  715    HD1  TYR  93           HD1      TYR  93  -6.242   7.597   7.608
  716    HD2  TYR  93           HD2      TYR  93  -4.378   3.771   7.542
  717    HE1  TYR  93           HE1      TYR  93  -6.643   7.372  10.021
  718    HE2  TYR  93           HE2      TYR  93  -4.774   3.535   9.960
  719    HH   TYR  93           HH       TYR  93  -6.306   6.132  11.836
  720    H    ASN  94           H        ASN  94  -8.669   5.744   6.037
  721    HA   ASN  94           HA       ASN  94  -8.820   8.645   6.451
  722   1HB   ASN  94          2HB       ASN  94 -10.859   6.918   5.043
  723   2HB   ASN  94          1HB       ASN  94 -11.241   8.510   5.692
  724   1HD2  ASN  94          2HD2      ASN  94 -11.613   9.586   3.843
  725   2HD2  ASN  94          1HD2      ASN  94 -10.434   9.837   2.605
  726    HA   PRO  95           HA       PRO  95 -10.126   7.667  10.545
  727   1HB   PRO  95          2HB       PRO  95 -12.109   9.854  10.136
  728   2HB   PRO  95          1HB       PRO  95 -10.938   9.625  11.440
  729   1HG   PRO  95          2HG       PRO  95 -10.511  11.430   9.523
  730   2HG   PRO  95          1HG       PRO  95  -9.179  10.468  10.189
  731   1HD   PRO  95          2HD       PRO  95 -10.583  10.208   7.575
  732   2HD   PRO  95          1HD       PRO  95  -8.882   9.908   7.980
  733    H    HIS  96           H        HIS  96 -12.534   8.199   8.030
  734    HA   HIS  96           HA       HIS  96 -14.274   6.216   9.343
  735   1HB   HIS  96          2HB       HIS  96 -14.983   8.623   7.664
  736   2HB   HIS  96          1HB       HIS  96 -16.132   7.332   8.007
  737    HD1  HIS  96           HD1      HIS  96 -15.491  10.544   9.120
  738    HD2  HIS  96           HD2      HIS  96 -15.983   6.932  11.114
  739    HE1  HIS  96           HE1      HIS  96 -16.131  11.157  11.473
  740    HE2  HIS  96           HE2      HIS  96 -16.521   8.955  12.633
  741    H    ALA  97           H        ALA  97 -12.872   7.363   6.340
  742    HA   ALA  97           HA       ALA  97 -12.967   6.503   4.192
  743   1HB   ALA  97          2HB       ALA  97 -11.054   5.390   4.672
  744   2HB   ALA  97          3HB       ALA  97 -12.092   3.985   4.428
  745   3HB   ALA  97          1HB       ALA  97 -11.755   4.559   6.062
  746    H    LYS  98           H        LYS  98 -15.401   6.651   4.242
  747    HA   LYS  98           HA       LYS  98 -16.697   4.024   4.307
  748   1HB   LYS  98          2HB       LYS  98 -17.676   5.997   5.552
  749   2HB   LYS  98          1HB       LYS  98 -18.023   6.717   3.985
  750   1HG   LYS  98          2HG       LYS  98 -19.339   4.631   3.454
  751   2HG   LYS  98          1HG       LYS  98 -19.166   4.197   5.156
  752   1HD   LYS  98          2HD       LYS  98 -21.077   5.348   5.420
  753   2HD   LYS  98          1HD       LYS  98 -20.033   6.769   5.343
  754   1HE   LYS  98          2HE       LYS  98 -20.921   5.679   2.752
  755   2HE   LYS  98          1HE       LYS  98 -22.181   6.393   3.757
  756   1HZ   LYS  98          3HZ       LYS  98 -19.660   7.740   2.947
  757   2HZ   LYS  98          2HZ       LYS  98 -21.183   8.019   2.266
  758   3HZ   LYS  98          1HZ       LYS  98 -20.893   8.425   3.881

  No H/Q in entry =         758
  Start of MODEL   11
    1    H1   GLY   1          1H        GLY   1 -11.679   2.049   7.468
    2    H2   GLY   1          3H        GLY   1 -11.710   1.506   9.070
    3    H3   GLY   1          2H        GLY   1 -12.386   3.005   8.672
    4   1HA   GLY   1          2HA       GLY   1  -9.782   2.469   9.496
    5   2HA   GLY   1          1HA       GLY   1 -10.472   4.017   9.037
    6    H    VAL   2           H        VAL   2  -8.058   1.871   8.376
    7    HA   VAL   2           HA       VAL   2  -7.307   3.278   5.981
    8    HB   VAL   2           HB       VAL   2  -5.441   2.799   7.256
    9   1HG1  VAL   2          1HG1      VAL   2  -7.016   0.719   8.289
   10   2HG1  VAL   2          3HG1      VAL   2  -5.531  -0.026   7.698
   11   3HG1  VAL   2          2HG1      VAL   2  -5.451   1.286   8.875
   12   1HG2  VAL   2          2HG2      VAL   2  -5.429   1.851   4.809
   13   2HG2  VAL   2          1HG2      VAL   2  -4.064   1.580   5.893
   14   3HG2  VAL   2          3HG2      VAL   2  -5.258   0.306   5.642
   15    H    TYR   3           H        TYR   3  -7.137   2.477   3.910
   16    HA   TYR   3           HA       TYR   3  -7.978  -0.266   3.398
   17   1HB   TYR   3          2HB       TYR   3  -9.618   0.459   1.674
   18   2HB   TYR   3          1HB       TYR   3 -10.090   0.892   3.311
   19    HD1  TYR   3           HD1      TYR   3  -9.377   3.322   4.063
   20    HD2  TYR   3           HD2      TYR   3  -9.766   2.062   0.018
   21    HE1  TYR   3           HE1      TYR   3  -9.664   5.664   3.367
   22    HE2  TYR   3           HE2      TYR   3 -10.055   4.399  -0.689
   23    HH   TYR   3           HH       TYR   3 -10.855   6.569   0.409
   24    H    HIS   4           H        HIS   4  -8.044  -0.511   0.821
   25    HA   HIS   4           HA       HIS   4  -5.485   0.607  -0.114
   26   1HB   HIS   4          2HB       HIS   4  -5.166  -1.707   0.036
   27   2HB   HIS   4          1HB       HIS   4  -6.791  -2.064  -0.536
   28    HD1  HIS   4           HD1      HIS   4  -7.163  -2.160  -3.068
   29    HD2  HIS   4           HD2      HIS   4  -3.277  -1.165  -1.988
   30    HE1  HIS   4           HE1      HIS   4  -5.814  -2.336  -5.182
   31    HE2  HIS   4           HE2      HIS   4  -3.446  -1.843  -4.479
   32    H    ARG   5           H        ARG   5  -5.269   0.869  -2.459
   33    HA   ARG   5           HA       ARG   5  -7.678   1.126  -4.029
   34   1HB   ARG   5          2HB       ARG   5  -6.256   3.470  -2.872
   35   2HB   ARG   5          1HB       ARG   5  -6.833   3.607  -4.526
   36   1HG   ARG   5          2HG       ARG   5  -8.586   2.817  -2.213
   37   2HG   ARG   5          1HG       ARG   5  -8.394   4.476  -2.783
   38   1HD   ARG   5          2HD       ARG   5  -9.147   3.724  -5.032
   39   2HD   ARG   5          1HD       ARG   5  -9.475   2.135  -4.343
   40    HE   ARG   5           HE       ARG   5 -10.818   4.553  -3.333
   41   1HH1  ARG   5          1HH1      ARG   5 -10.909   1.314  -4.609
   42   2HH1  ARG   5          2HH1      ARG   5 -12.614   1.129  -4.371
   43   1HH2  ARG   5          1HH2      ARG   5 -13.066   4.319  -3.015
   44   2HH2  ARG   5          2HH2      ARG   5 -13.841   2.837  -3.466
   45    H    GLU   6           H        GLU   6  -7.194   1.771  -6.278
   46    HA   GLU   6           HA       GLU   6  -4.394   1.227  -7.009
   47   1HB   GLU   6          2HB       GLU   6  -5.168  -0.036  -8.952
   48   2HB   GLU   6          1HB       GLU   6  -5.761  -0.756  -7.462
   49   1HG   GLU   6          2HG       GLU   6  -7.392   1.103  -9.169
   50   2HG   GLU   6          1HG       GLU   6  -7.409  -0.651  -9.340
   51    H    ALA   7           H        ALA   7  -4.383   1.640  -9.635
   52    HA   ALA   7           HA       ALA   7  -4.857   4.495  -9.826
   53   1HB   ALA   7          2HB       ALA   7  -3.201   4.533 -11.349
   54   2HB   ALA   7          1HB       ALA   7  -2.827   2.934 -10.705
   55   3HB   ALA   7          3HB       ALA   7  -3.788   3.090 -12.176
   56    H    ARG   8           H        ARG   8  -5.974   5.490 -11.578
   57    HA   ARG   8           HA       ARG   8  -8.492   4.413 -12.124
   58   1HB   ARG   8          2HB       ARG   8  -6.954   6.772 -12.946
   59   2HB   ARG   8          1HB       ARG   8  -8.117   6.232 -14.148
   60   1HG   ARG   8          2HG       ARG   8  -9.257   6.286 -11.486
   61   2HG   ARG   8          1HG       ARG   8  -8.623   7.858 -11.976
   62   1HD   ARG   8          2HD       ARG   8 -10.481   8.170 -13.149
   63   2HD   ARG   8          1HD       ARG   8  -9.964   6.866 -14.217
   64    HE   ARG   8           HE       ARG   8 -11.669   6.451 -11.846
   65   1HH1  ARG   8          2HH1      ARG   8 -10.755   5.743 -15.132
   66   2HH1  ARG   8          1HH1      ARG   8 -11.985   4.543 -15.352
   67   1HH2  ARG   8          1HH2      ARG   8 -13.293   4.876 -12.126
   68   2HH2  ARG   8          2HH2      ARG   8 -13.428   4.050 -13.642
   69    H    SER   9           H        SER   9  -5.463   3.882 -13.641
   70    HA   SER   9           HA       SER   9  -6.686   2.819 -16.071
   71   1HB   SER   9          2HB       SER   9  -4.017   3.789 -15.313
   72   2HB   SER   9          1HB       SER   9  -3.995   2.338 -16.317
   73    HG   SER   9           HG       SER   9  -4.501   4.871 -17.033
   74    H    GLY  10           H        GLY  10  -5.201   1.774 -13.104
   75   1HA   GLY  10          2HA       GLY  10  -5.036  -0.990 -14.058
   76   2HA   GLY  10          1HA       GLY  10  -6.155  -0.643 -12.747
   77    H    LYS  11           H        LYS  11  -4.744  -2.305 -11.711
   78    HA   LYS  11           HA       LYS  11  -3.144  -1.181  -9.743
   79   1HB   LYS  11          2HB       LYS  11  -4.029  -3.304  -9.284
   80   2HB   LYS  11          1HB       LYS  11  -3.432  -3.980 -10.794
   81   1HG   LYS  11          2HG       LYS  11  -1.126  -3.780  -9.931
   82   2HG   LYS  11          1HG       LYS  11  -1.782  -3.217  -8.393
   83   1HD   LYS  11          2HD       LYS  11  -1.686  -5.405  -7.853
   84   2HD   LYS  11          1HD       LYS  11  -3.215  -5.478  -8.730
   85   1HE   LYS  11          2HE       LYS  11  -1.284  -5.713 -10.705
   86   2HE   LYS  11          1HE       LYS  11  -0.650  -6.669  -9.367
   87   1HZ   LYS  11          1HZ       LYS  11  -3.451  -6.990 -10.217
   88   2HZ   LYS  11          3HZ       LYS  11  -2.212  -7.774 -11.064
   89   3HZ   LYS  11          2HZ       LYS  11  -2.446  -8.092  -9.419
   90    H    TYR  12           H        TYR  12  -0.879  -1.303  -9.345
   91    HA   TYR  12           HA       TYR  12   1.295  -0.902  -9.889
   92   1HB   TYR  12          2HB       TYR  12   0.643  -2.995 -11.970
   93   2HB   TYR  12          1HB       TYR  12   2.270  -2.409 -11.646
   94    HD1  TYR  12           HD1      TYR  12   1.039  -2.247  -8.531
   95    HD2  TYR  12           HD2      TYR  12   1.895  -5.213 -11.460
   96    HE1  TYR  12           HE1      TYR  12   1.285  -3.933  -6.750
   97    HE2  TYR  12           HE2      TYR  12   2.144  -6.902  -9.691
   98    HH   TYR  12           HH       TYR  12   2.567  -6.190  -6.518
   99    H    LYS  13           H        LYS  13   0.348   1.264 -10.580
  100    HA   LYS  13           HA       LYS  13   1.475   1.923 -13.145
  101   1HB   LYS  13          2HB       LYS  13  -1.488   1.936 -12.689
  102   2HB   LYS  13          1HB       LYS  13  -0.765   3.137 -13.751
  103   1HG   LYS  13          2HG       LYS  13   0.334   1.096 -14.906
  104   2HG   LYS  13          1HG       LYS  13  -0.927   0.174 -14.085
  105   1HD   LYS  13          2HD       LYS  13  -2.377   2.212 -15.134
  106   2HD   LYS  13          1HD       LYS  13  -1.115   2.033 -16.356
  107   1HE   LYS  13          2HE       LYS  13  -1.934  -0.568 -15.693
  108   2HE   LYS  13          1HE       LYS  13  -3.411   0.382 -15.853
  109   1HZ   LYS  13          1HZ       LYS  13  -2.398   1.193 -18.022
  110   2HZ   LYS  13          3HZ       LYS  13  -1.310  -0.094 -17.874
  111   3HZ   LYS  13          2HZ       LYS  13  -2.969  -0.399 -17.987
  112    H    LEU  14           H        LEU  14   0.583   2.625 -10.009
  113    HA   LEU  14           HA       LEU  14   0.982   5.509 -10.411
  114   1HB   LEU  14          2HB       LEU  14  -0.069   5.739  -8.196
  115   2HB   LEU  14          1HB       LEU  14  -1.132   5.074  -9.411
  116    HG   LEU  14           HG       LEU  14   0.063   2.876  -8.156
  117   1HD1  LEU  14          2HD1      LEU  14  -0.147   5.155  -6.363
  118   2HD1  LEU  14          1HD1      LEU  14  -1.059   3.753  -5.803
  119   3HD1  LEU  14          3HD1      LEU  14   0.666   3.606  -6.136
  120   1HD2  LEU  14          3HD2      LEU  14  -2.368   3.518  -9.015
  121   2HD2  LEU  14          2HD2      LEU  14  -2.089   2.210  -7.867
  122   3HD2  LEU  14          1HD2      LEU  14  -2.618   3.790  -7.291
  123    H    THR  15           H        THR  15   2.152   6.636  -8.708
  124    HA   THR  15           HA       THR  15   4.340   4.983  -7.618
  125    HB   THR  15           HB       THR  15   5.861   6.721  -7.964
  126    HG1  THR  15           HG1      THR  15   4.910   8.881  -8.648
  127   1HG2  THR  15          3HG2      THR  15   4.049   6.150 -10.155
  128   2HG2  THR  15          2HG2      THR  15   4.799   7.737 -10.322
  129   3HG2  THR  15          1HG2      THR  15   5.805   6.298 -10.158
  130    H    TYR  16           H        TYR  16   5.468   6.863  -5.925
  131    HA   TYR  16           HA       TYR  16   3.754   6.688  -3.668
  132   1HB   TYR  16          2HB       TYR  16   6.115   6.658  -3.272
  133   2HB   TYR  16          1HB       TYR  16   6.344   8.172  -4.141
  134    HD1  TYR  16           HD1      TYR  16   4.636   6.769  -1.134
  135    HD2  TYR  16           HD2      TYR  16   6.420  10.173  -2.967
  136    HE1  TYR  16           HE1      TYR  16   4.422   8.013   0.977
  137    HE2  TYR  16           HE2      TYR  16   6.209  11.425  -0.860
  138    HH   TYR  16           HH       TYR  16   4.658   9.983   1.987
  139    H    ALA  17           H        ALA  17   4.689   9.275  -5.865
  140    HA   ALA  17           HA       ALA  17   3.254  11.335  -4.525
  141   1HB   ALA  17          2HB       ALA  17   4.136  11.241  -7.408
  142   2HB   ALA  17          1HB       ALA  17   3.705  12.677  -6.480
  143   3HB   ALA  17          3HB       ALA  17   5.148  11.755  -6.057
  144    H    GLU  18           H        GLU  18   2.510   9.108  -7.172
  145    HA   GLU  18           HA       GLU  18  -0.006  10.282  -7.814
  146   1HB   GLU  18          2HB       GLU  18   1.165   7.556  -8.373
  147   2HB   GLU  18          1HB       GLU  18  -0.368   8.115  -9.021
  148   1HG   GLU  18          2HG       GLU  18   0.820   9.977 -10.127
  149   2HG   GLU  18          1HG       GLU  18   2.342   9.308  -9.543
  150    H    ALA  19           H        ALA  19   1.051   7.563  -5.844
  151    HA   ALA  19           HA       ALA  19  -1.389   6.472  -5.131
  152   1HB   ALA  19          2HB       ALA  19   0.030   5.108  -4.102
  153   2HB   ALA  19          3HB       ALA  19   0.247   6.328  -2.847
  154   3HB   ALA  19          1HB       ALA  19   1.327   6.294  -4.241
  155    H    LYS  20           H        LYS  20   0.364   9.186  -3.695
  156    HA   LYS  20           HA       LYS  20  -1.425   9.598  -1.531
  157   1HB   LYS  20          2HB       LYS  20   0.980  10.454  -1.810
  158   2HB   LYS  20          1HB       LYS  20   0.281  11.738  -2.784
  159   1HG   LYS  20          2HG       LYS  20  -1.282  11.938  -0.622
  160   2HG   LYS  20          1HG       LYS  20   0.181  11.298   0.131
  161   1HD   LYS  20          2HD       LYS  20   0.557  13.503  -1.799
  162   2HD   LYS  20          1HD       LYS  20  -0.244  13.919  -0.282
  163   1HE   LYS  20          2HE       LYS  20   1.649  13.742   0.887
  164   2HE   LYS  20          1HE       LYS  20   2.087  12.224   0.104
  165   1HZ   LYS  20          2HZ       LYS  20   2.437  14.154  -1.817
  166   2HZ   LYS  20          1HZ       LYS  20   3.052  14.850  -0.404
  167   3HZ   LYS  20          3HZ       LYS  20   3.653  13.364  -0.947
  168    H    ALA  21           H        ALA  21  -0.997  11.409  -4.571
  169    HA   ALA  21           HA       ALA  21  -2.989  13.248  -4.349
  170   1HB   ALA  21          3HB       ALA  21  -3.239  13.076  -6.851
  171   2HB   ALA  21          1HB       ALA  21  -2.125  11.710  -6.786
  172   3HB   ALA  21          2HB       ALA  21  -1.591  13.307  -6.263
  173    H    VAL  22           H        VAL  22  -3.366   9.837  -5.119
  174    HA   VAL  22           HA       VAL  22  -6.143  10.017  -5.753
  175    HB   VAL  22           HB       VAL  22  -4.299   7.720  -5.180
  176   1HG1  VAL  22          2HG1      VAL  22  -7.281   7.588  -5.594
  177   2HG1  VAL  22          1HG1      VAL  22  -6.194   6.205  -5.723
  178   3HG1  VAL  22          3HG1      VAL  22  -6.374   7.046  -4.183
  179   1HG2  VAL  22          1HG2      VAL  22  -5.168   9.136  -7.501
  180   2HG2  VAL  22          3HG2      VAL  22  -3.999   7.822  -7.376
  181   3HG2  VAL  22          2HG2      VAL  22  -5.709   7.460  -7.609
  182    H    CYS  23           H        CYS  23  -4.433   8.647  -2.944
  183    HA   CYS  23           HA       CYS  23  -6.766   8.188  -1.433
  184   1HB   CYS  23          2HB       CYS  23  -3.891   8.527  -0.561
  185   2HB   CYS  23          1HB       CYS  23  -5.190   7.970   0.483
  186    H    GLU  24           H        GLU  24  -4.695  10.960  -1.823
  187    HA   GLU  24           HA       GLU  24  -5.972  12.411   0.351
  188   1HB   GLU  24          2HB       GLU  24  -3.501  12.610  -0.219
  189   2HB   GLU  24          1HB       GLU  24  -3.993  13.485  -1.662
  190   1HG   GLU  24          2HG       GLU  24  -4.766  15.304  -0.455
  191   2HG   GLU  24          1HG       GLU  24  -4.910  14.377   1.038
  192    H    PHE  25           H        PHE  25  -6.462  11.757  -2.885
  193    HA   PHE  25           HA       PHE  25  -7.487  14.112  -3.951
  194   1HB   PHE  25          2HB       PHE  25  -7.123  11.584  -4.853
  195   2HB   PHE  25          1HB       PHE  25  -8.872  11.604  -4.671
  196    HD1  PHE  25           HD1      PHE  25  -6.046  13.424  -6.221
  197    HD2  PHE  25           HD2      PHE  25 -10.215  12.585  -6.310
  198    HE1  PHE  25           HE1      PHE  25  -6.223  14.581  -8.382
  199    HE2  PHE  25           HE2      PHE  25 -10.405  13.745  -8.474
  200    HZ   PHE  25           HZ       PHE  25  -8.408  14.745  -9.513
  201    H    GLU  26           H        GLU  26  -9.009  11.636  -1.962
  202    HA   GLU  26           HA       GLU  26 -11.422  13.317  -1.790
  203   1HB   GLU  26          2HB       GLU  26 -11.284  10.385  -1.121
  204   2HB   GLU  26          1HB       GLU  26 -12.716  11.366  -1.403
  205   1HG   GLU  26          2HG       GLU  26 -12.028  11.633  -3.752
  206   2HG   GLU  26          1HG       GLU  26 -10.661  10.565  -3.447
  207    H    GLY  27           H        GLY  27  -9.618  14.289  -0.226
  208   1HA   GLY  27          1HA       GLY  27 -10.640  14.275   2.324
  209   2HA   GLY  27          2HA       GLY  27  -9.000  14.770   1.931
  210    H    GLY  28           H        GLY  28  -8.161  12.158   0.987
  211   1HA   GLY  28          2HA       GLY  28  -7.985   9.913   1.924
  212   2HA   GLY  28          1HA       GLY  28  -8.259  10.625   3.511
  213    H    HIS  29           H        HIS  29  -6.212   9.258   3.846
  214    HA   HIS  29           HA       HIS  29  -3.822  10.732   3.019
  215   1HB   HIS  29          2HB       HIS  29  -3.208   9.947   5.581
  216   2HB   HIS  29          1HB       HIS  29  -3.692  11.563   5.093
  217    HD1  HIS  29           HD1      HIS  29  -6.682  11.295   4.804
  218    HD2  HIS  29           HD2      HIS  29  -4.528   9.569   7.906
  219    HE1  HIS  29           HE1      HIS  29  -8.340  10.952   6.662
  220    HE2  HIS  29           HE2      HIS  29  -6.996   9.987   8.561
  221    H    LEU  30           H        LEU  30  -1.983   9.525   2.760
  222    HA   LEU  30           HA       LEU  30  -2.179   6.892   1.990
  223   1HB   LEU  30          2HB       LEU  30  -0.170   8.844   2.188
  224   2HB   LEU  30          1HB       LEU  30   0.443   7.440   3.038
  225    HG   LEU  30           HG       LEU  30  -0.689   7.249   0.267
  226   1HD1  LEU  30          1HD1      LEU  30   1.716   8.571   1.068
  227   2HD1  LEU  30          3HD1      LEU  30   2.119   7.111   0.162
  228   3HD1  LEU  30          2HD1      LEU  30   1.063   8.331  -0.553
  229   1HD2  LEU  30          3HD2      LEU  30   0.221   5.383   2.180
  230   2HD2  LEU  30          2HD2      LEU  30  -0.256   5.083   0.507
  231   3HD2  LEU  30          1HD2      LEU  30   1.428   5.437   0.893
  232    H    ALA  31           H        ALA  31  -2.000   4.948   2.959
  233    HA   ALA  31           HA       ALA  31  -2.234   4.840   5.819
  234   1HB   ALA  31          2HB       ALA  31  -2.884   3.137   3.640
  235   2HB   ALA  31          1HB       ALA  31  -1.837   2.242   4.740
  236   3HB   ALA  31          3HB       ALA  31  -3.329   2.969   5.339
  237    H    THR  32           H        THR  32  -0.793   3.660   7.221
  238    HA   THR  32           HA       THR  32   1.990   3.758   6.274
  239    HB   THR  32           HB       THR  32   2.687   3.994   8.565
  240    HG1  THR  32           HG1      THR  32   1.223   2.742   9.678
  241   1HG2  THR  32          3HG2      THR  32   0.541   5.794   7.556
  242   2HG2  THR  32          2HG2      THR  32   1.135   6.034   9.200
  243   3HG2  THR  32          1HG2      THR  32   2.251   6.121   7.837
  244    H    TYR  33           H        TYR  33   3.302   2.277   8.047
  245    HA   TYR  33           HA       TYR  33   2.767  -0.393   7.199
  246   1HB   TYR  33          2HB       TYR  33   5.058   0.361   7.575
  247   2HB   TYR  33          1HB       TYR  33   4.699   0.672   9.267
  248    HD1  TYR  33           HD1      TYR  33   4.506  -2.153   6.822
  249    HD2  TYR  33           HD2      TYR  33   5.363  -0.910  10.800
  250    HE1  TYR  33           HE1      TYR  33   5.177  -4.445   7.385
  251    HE2  TYR  33           HE2      TYR  33   6.039  -3.203  11.376
  252    HH   TYR  33           HH       TYR  33   6.574  -5.605   9.031
  253    H    LYS  34           H        LYS  34   3.113   0.879  10.488
  254    HA   LYS  34           HA       LYS  34   1.995  -1.180  11.888
  255   1HB   LYS  34          2HB       LYS  34   1.595   1.751  12.512
  256   2HB   LYS  34          1HB       LYS  34   1.474   0.421  13.653
  257   1HG   LYS  34          2HG       LYS  34   4.026   0.319  12.385
  258   2HG   LYS  34          1HG       LYS  34   3.741   1.952  12.988
  259   1HD   LYS  34          2HD       LYS  34   2.893   0.575  15.111
  260   2HD   LYS  34          1HD       LYS  34   4.047  -0.596  14.469
  261   1HE   LYS  34          2HE       LYS  34   5.614   0.554  15.560
  262   2HE   LYS  34          1HE       LYS  34   5.414   1.792  14.320
  263   1HZ   LYS  34          2HZ       LYS  34   3.439   2.435  15.977
  264   2HZ   LYS  34          1HZ       LYS  34   4.535   1.782  17.087
  265   3HZ   LYS  34          3HZ       LYS  34   4.999   3.077  16.101
  266    H    GLN  35           H        GLN  35   0.323   1.477  10.257
  267    HA   GLN  35           HA       GLN  35  -2.272   0.843  11.151
  268   1HB   GLN  35          2HB       GLN  35  -1.316   2.290   8.679
  269   2HB   GLN  35          1HB       GLN  35  -2.997   2.197   9.172
  270   1HG   GLN  35          2HG       GLN  35  -2.476   3.357  11.243
  271   2HG   GLN  35          1HG       GLN  35  -0.774   3.418  10.787
  272   1HE2  GLN  35          1HE2      GLN  35  -2.069   5.713  11.405
  273   2HE2  GLN  35          2HE2      GLN  35  -2.303   6.669   9.985
  274    H    LEU  36           H        LEU  36  -0.546   0.022   8.152
  275    HA   LEU  36           HA       LEU  36  -2.590  -1.489   6.977
  276   1HB   LEU  36          2HB       LEU  36  -0.048  -0.746   6.265
  277   2HB   LEU  36          1HB       LEU  36   0.135  -2.472   6.499
  278    HG   LEU  36           HG       LEU  36  -0.386  -1.702   4.142
  279   1HD1  LEU  36          1HD1      LEU  36  -2.236  -3.677   5.468
  280   2HD1  LEU  36          3HD1      LEU  36  -1.952  -3.552   3.732
  281   3HD1  LEU  36          2HD1      LEU  36  -0.636  -4.015   4.810
  282   1HD2  LEU  36          1HD2      LEU  36  -2.389  -0.276   5.380
  283   2HD2  LEU  36          3HD2      LEU  36  -2.248  -0.581   3.649
  284   3HD2  LEU  36          2HD2      LEU  36  -3.246  -1.634   4.652
  285    H    GLU  37           H        GLU  37  -0.450  -2.159   9.579
  286    HA   GLU  37           HA       GLU  37  -0.642  -5.011   9.503
  287   1HB   GLU  37          2HB       GLU  37   1.218  -3.788  10.609
  288   2HB   GLU  37          1HB       GLU  37   0.082  -3.207  11.817
  289   1HG   GLU  37          2HG       GLU  37   0.915  -4.979  12.945
  290   2HG   GLU  37          1HG       GLU  37  -0.391  -5.794  12.084
  291    H    ALA  38           H        ALA  38  -1.913  -2.634  11.812
  292    HA   ALA  38           HA       ALA  38  -3.658  -4.355  13.124
  293   1HB   ALA  38          2HB       ALA  38  -3.562  -2.505  14.385
  294   2HB   ALA  38          1HB       ALA  38  -3.235  -1.465  12.999
  295   3HB   ALA  38          3HB       ALA  38  -4.893  -1.930  13.381
  296    H    ALA  39           H        ALA  39  -3.831  -3.127   9.992
  297    HA   ALA  39           HA       ALA  39  -6.743  -3.372   9.821
  298   1HB   ALA  39          2HB       ALA  39  -4.783  -2.590   7.664
  299   2HB   ALA  39          1HB       ALA  39  -6.539  -2.427   7.615
  300   3HB   ALA  39          3HB       ALA  39  -5.594  -1.448   8.736
  301    H    ARG  40           H        ARG  40  -3.785  -4.927   8.939
  302    HA   ARG  40           HA       ARG  40  -4.857  -6.787   7.073
  303   1HB   ARG  40          2HB       ARG  40  -2.521  -6.332   6.976
  304   2HB   ARG  40          1HB       ARG  40  -2.322  -6.657   8.694
  305   1HG   ARG  40          2HG       ARG  40  -3.375  -8.927   7.188
  306   2HG   ARG  40          1HG       ARG  40  -1.773  -8.406   6.665
  307   1HD   ARG  40          2HD       ARG  40  -0.833  -9.331   8.450
  308   2HD   ARG  40          1HD       ARG  40  -1.894  -8.424   9.526
  309    HE   ARG  40           HE       ARG  40  -3.380 -10.249   9.564
  310   1HH1  ARG  40          1HH1      ARG  40  -0.538 -10.865   7.646
  311   2HH1  ARG  40          2HH1      ARG  40  -0.763 -12.582   7.630
  312   1HH2  ARG  40          1HH2      ARG  40  -3.684 -12.510   9.549
  313   2HH2  ARG  40          2HH2      ARG  40  -2.551 -13.517   8.712
  314    H    LYS  41           H        LYS  41  -4.392  -6.675  10.534
  315    HA   LYS  41           HA       LYS  41  -4.853  -9.424  11.021
  316   1HB   LYS  41          2HB       LYS  41  -5.357  -7.196  12.983
  317   2HB   LYS  41          1HB       LYS  41  -4.916  -8.862  13.330
  318   1HG   LYS  41          2HG       LYS  41  -2.762  -8.278  11.987
  319   2HG   LYS  41          1HG       LYS  41  -3.215  -6.615  12.364
  320   1HD   LYS  41          2HD       LYS  41  -2.269  -6.860  14.360
  321   2HD   LYS  41          1HD       LYS  41  -3.500  -8.062  14.754
  322   1HE   LYS  41          2HE       LYS  41  -0.841  -8.595  13.435
  323   2HE   LYS  41          1HE       LYS  41  -1.268  -8.965  15.105
  324   1HZ   LYS  41          3HZ       LYS  41  -2.802 -10.084  12.843
  325   2HZ   LYS  41          2HZ       LYS  41  -1.397 -10.837  13.410
  326   3HZ   LYS  41          1HZ       LYS  41  -2.723 -10.635  14.440
  327    H    ILE  42           H        ILE  42  -6.943  -6.864  10.203
  328    HA   ILE  42           HA       ILE  42  -9.284  -8.081  11.434
  329    HB   ILE  42           HB       ILE  42 -10.499  -6.179  10.754
  330   1HG1  ILE  42          2HG1      ILE  42  -8.438  -4.836   9.167
  331   2HG1  ILE  42          1HG1      ILE  42  -9.000  -6.336   8.442
  332   1HG2  ILE  42          3HG2      ILE  42  -7.684  -5.467  11.533
  333   2HG2  ILE  42          2HG2      ILE  42  -8.958  -4.254  11.391
  334   3HG2  ILE  42          1HG2      ILE  42  -9.117  -5.567  12.557
  335   1HD1  ILE  42          2HD1      ILE  42 -11.146  -4.613   9.423
  336   2HD1  ILE  42          1HD1      ILE  42 -10.177  -3.910   8.128
  337   3HD1  ILE  42          3HD1      ILE  42 -10.978  -5.462   7.886
  338    H    GLY  43           H        GLY  43  -7.530  -8.256   8.540
  339   1HA   GLY  43          1HA       GLY  43  -9.849  -9.419   7.128
  340   2HA   GLY  43          2HA       GLY  43  -8.278 -10.211   7.151
  341    H    PHE  44           H        PHE  44  -7.131  -7.332   7.028
  342    HA   PHE  44           HA       PHE  44  -7.844  -6.474   4.369
  343   1HB   PHE  44          2HB       PHE  44  -7.080  -5.007   6.359
  344   2HB   PHE  44          1HB       PHE  44  -5.452  -5.496   5.905
  345    HD1  PHE  44           HD1      PHE  44  -7.358  -5.415   2.991
  346    HD2  PHE  44           HD2      PHE  44  -5.474  -2.836   5.806
  347    HE1  PHE  44           HE1      PHE  44  -7.301  -3.623   1.306
  348    HE2  PHE  44           HE2      PHE  44  -5.418  -1.039   4.126
  349    HZ   PHE  44           HZ       PHE  44  -6.331  -1.433   1.874
  350    H    HIS  45           H        HIS  45  -7.147  -7.526   2.636
  351    HA   HIS  45           HA       HIS  45  -4.327  -8.339   2.525
  352   1HB   HIS  45          2HB       HIS  45  -5.648 -10.351   3.011
  353   2HB   HIS  45          1HB       HIS  45  -6.663 -10.031   1.610
  354    HD1  HIS  45           HD1      HIS  45  -4.633 -12.530   2.256
  355    HD2  HIS  45           HD2      HIS  45  -4.186  -9.490  -0.542
  356    HE1  HIS  45           HE1      HIS  45  -3.067 -13.444   0.513
  357    HE2  HIS  45           HE2      HIS  45  -2.883 -11.620  -1.214
  358    H    VAL  46           H        VAL  46  -3.341  -7.519   0.806
  359    HA   VAL  46           HA       VAL  46  -4.820  -7.171  -1.690
  360    HB   VAL  46           HB       VAL  46  -3.065  -4.891  -1.029
  361   1HG1  VAL  46          2HG1      VAL  46  -5.211  -5.555  -2.809
  362   2HG1  VAL  46          1HG1      VAL  46  -5.598  -4.083  -1.917
  363   3HG1  VAL  46          3HG1      VAL  46  -4.107  -4.180  -2.853
  364   1HG2  VAL  46          1HG2      VAL  46  -4.199  -5.173   1.111
  365   2HG2  VAL  46          3HG2      VAL  46  -4.779  -3.731   0.276
  366   3HG2  VAL  46          2HG2      VAL  46  -5.760  -5.198   0.291
  367    H    CYS  47           H        CYS  47  -3.548  -8.834  -2.550
  368    HA   CYS  47           HA       CYS  47  -0.734  -8.930  -2.411
  369   1HB   CYS  47          2HB       CYS  47  -2.302 -10.815  -3.072
  370   2HB   CYS  47          1HB       CYS  47  -2.416 -10.051  -4.654
  371    H    ALA  48           H        ALA  48  -0.024  -6.803  -2.845
  372    HA   ALA  48           HA       ALA  48   0.938  -6.300  -5.381
  373   1HB   ALA  48          3HB       ALA  48  -1.656  -5.996  -5.686
  374   2HB   ALA  48          1HB       ALA  48  -0.516  -4.911  -6.484
  375   3HB   ALA  48          2HB       ALA  48  -1.328  -4.404  -5.003
  376    H    ALA  49           H        ALA  49   2.679  -5.157  -4.865
  377    HA   ALA  49           HA       ALA  49   3.335  -3.923  -2.570
  378   1HB   ALA  49          3HB       ALA  49   5.173  -3.644  -3.789
  379   2HB   ALA  49          2HB       ALA  49   4.260  -3.760  -5.293
  380   3HB   ALA  49          1HB       ALA  49   4.426  -2.204  -4.480
  381    H    GLY  50           H        GLY  50   2.280  -2.483  -1.370
  382   1HA   GLY  50          2HA       GLY  50   0.370  -0.981  -1.189
  383   2HA   GLY  50          1HA       GLY  50   0.813  -0.331  -2.758
  384    H    TRP  51           H        TRP  51   1.488   1.675  -2.555
  385    HA   TRP  51           HA       TRP  51   3.801   2.409  -1.188
  386   1HB   TRP  51          2HB       TRP  51   1.532   3.962  -2.387
  387   2HB   TRP  51          1HB       TRP  51   2.807   4.795  -1.499
  388    HD1  TRP  51           HD1      TRP  51   2.005   3.452  -4.866
  389    HE1  TRP  51           HE1      TRP  51   4.080   3.586  -6.392
  390    HE3  TRP  51           HE3      TRP  51   5.539   4.507  -1.333
  391    HZ2  TRP  51           HZ2      TRP  51   6.851   4.079  -6.124
  392    HZ3  TRP  51           HZ3      TRP  51   7.875   4.798  -2.042
  393    HH2  TRP  51           HH2      TRP  51   8.517   4.586  -4.390
  394    H    MET  52           H        MET  52   4.165   3.654   0.659
  395    HA   MET  52           HA       MET  52   2.117   4.466   2.441
  396   1HB   MET  52          2HB       MET  52   3.136   2.775   4.258
  397   2HB   MET  52          1HB       MET  52   1.708   2.404   3.304
  398   1HG   MET  52          2HG       MET  52   2.728   0.556   2.652
  399   2HG   MET  52          1HG       MET  52   3.837   1.570   1.728
  400   1HE   MET  52          1HE       MET  52   3.670  -1.212   3.230
  401   2HE   MET  52          3HE       MET  52   5.412  -1.378   3.006
  402   3HE   MET  52          2HE       MET  52   4.724  -1.407   4.630
  403    H    ALA  53           H        ALA  53   3.225   4.815   4.751
  404    HA   ALA  53           HA       ALA  53   4.681   6.172   5.865
  405   1HB   ALA  53          3HB       ALA  53   7.000   5.001   4.454
  406   2HB   ALA  53          1HB       ALA  53   5.928   3.889   5.308
  407   3HB   ALA  53          2HB       ALA  53   6.706   5.210   6.180
  408    H    LYS  54           H        LYS  54   7.128   7.244   5.253
  409    HA   LYS  54           HA       LYS  54   6.429   9.520   3.759
  410   1HB   LYS  54          2HB       LYS  54   8.610   8.664   5.366
  411   2HB   LYS  54          1HB       LYS  54   9.271   9.241   3.844
  412   1HG   LYS  54          2HG       LYS  54   8.959  11.350   4.437
  413   2HG   LYS  54          1HG       LYS  54   7.260  11.053   4.803
  414   1HD   LYS  54          2HD       LYS  54   7.973  11.659   6.880
  415   2HD   LYS  54          1HD       LYS  54   8.314   9.930   6.965
  416   1HE   LYS  54          2HE       LYS  54  10.590  10.231   6.705
  417   2HE   LYS  54          1HE       LYS  54  10.397  11.804   5.932
  418   1HZ   LYS  54          1HZ       LYS  54   9.606  12.634   8.135
  419   2HZ   LYS  54          3HZ       LYS  54  10.090  11.158   8.809
  420   3HZ   LYS  54          2HZ       LYS  54  11.235  12.179   8.097
  421    H    GLY  55           H        GLY  55   7.203   6.466   2.660
  422   1HA   GLY  55          1HA       GLY  55   8.656   7.279   0.291
  423   2HA   GLY  55          2HA       GLY  55   6.972   6.856   0.005
  424    H    ARG  56           H        ARG  56   7.255   4.907   2.346
  425    HA   ARG  56           HA       ARG  56   8.962   2.872   1.130
  426   1HB   ARG  56          2HB       ARG  56   7.864   3.376   3.816
  427   2HB   ARG  56          1HB       ARG  56   7.884   1.685   3.337
  428   1HG   ARG  56          2HG       ARG  56  10.275   1.826   2.894
  429   2HG   ARG  56          1HG       ARG  56  10.263   3.532   3.346
  430   1HD   ARG  56          2HD       ARG  56   9.045   1.907   5.395
  431   2HD   ARG  56          1HD       ARG  56  10.672   1.339   5.025
  432    HE   ARG  56           HE       ARG  56  10.616   4.160   5.340
  433   1HH1  ARG  56          2HH1      ARG  56  10.569   1.170   7.124
  434   2HH1  ARG  56          1HH1      ARG  56  11.273   1.858   8.550
  435   1HH2  ARG  56          1HH2      ARG  56  11.543   5.078   7.210
  436   2HH2  ARG  56          2HH2      ARG  56  11.826   4.081   8.598
  437    H    VAL  57           H        VAL  57   8.203   1.181   0.017
  438    HA   VAL  57           HA       VAL  57   5.294   0.700   0.047
  439    HB   VAL  57           HB       VAL  57   5.425   1.361  -2.112
  440   1HG1  VAL  57          1HG1      VAL  57   8.337   0.807  -1.825
  441   2HG1  VAL  57          3HG1      VAL  57   7.649   0.954  -3.442
  442   3HG1  VAL  57          2HG1      VAL  57   7.510   2.290  -2.299
  443   1HG2  VAL  57          3HG2      VAL  57   5.340  -1.312  -1.929
  444   2HG2  VAL  57          2HG2      VAL  57   5.241  -0.446  -3.462
  445   3HG2  VAL  57          1HG2      VAL  57   6.777  -1.134  -2.936
  446    H    GLY  58           H        GLY  58   4.745  -1.236   0.791
  447   1HA   GLY  58          2HA       GLY  58   5.850  -3.189   1.968
  448   2HA   GLY  58          1HA       GLY  58   6.645  -3.467   0.426
  449    H    TYR  59           H        TYR  59   5.329  -5.551   1.376
  450    HA   TYR  59           HA       TYR  59   2.689  -5.550   0.083
  451   1HB   TYR  59          2HB       TYR  59   4.069  -8.087  -0.242
  452   2HB   TYR  59          1HB       TYR  59   3.273  -7.082  -1.450
  453    HD1  TYR  59           HD1      TYR  59   4.589  -5.066  -2.358
  454    HD2  TYR  59           HD2      TYR  59   6.405  -8.258  -0.204
  455    HE1  TYR  59           HE1      TYR  59   6.777  -4.445  -3.291
  456    HE2  TYR  59           HE2      TYR  59   8.597  -7.641  -1.130
  457    HH   TYR  59           HH       TYR  59   9.181  -6.120  -3.619
  458    HA   PRO  60           HA       PRO  60   1.986  -7.151   4.275
  459   1HB   PRO  60          2HB       PRO  60  -0.758  -7.099   3.967
  460   2HB   PRO  60          1HB       PRO  60   0.217  -5.750   4.551
  461   1HG   PRO  60          2HG       PRO  60  -0.892  -6.251   1.830
  462   2HG   PRO  60          1HG       PRO  60  -0.738  -4.726   2.717
  463   1HD   PRO  60          2HD       PRO  60   0.951  -5.410   0.732
  464   2HD   PRO  60          1HD       PRO  60   1.482  -4.469   2.140
  465    H    ILE  61           H        ILE  61  -0.745  -8.145   2.303
  466    HA   ILE  61           HA       ILE  61  -1.444 -10.179   1.525
  467    HB   ILE  61           HB       ILE  61   1.268 -11.252   2.309
  468   1HG1  ILE  61          2HG1      ILE  61   1.214  -9.307   0.635
  469   2HG1  ILE  61          1HG1      ILE  61   2.048 -10.774   0.134
  470   1HG2  ILE  61          2HG2      ILE  61  -0.449 -12.963   2.009
  471   2HG2  ILE  61          1HG2      ILE  61  -0.817 -12.319   0.408
  472   3HG2  ILE  61          3HG2      ILE  61   0.761 -13.040   0.728
  473   1HD1  ILE  61          1HD1      ILE  61  -0.683 -10.956  -0.646
  474   2HD1  ILE  61          3HD1      ILE  61  -0.023  -9.412  -1.186
  475   3HD1  ILE  61          2HD1      ILE  61   0.766 -10.919  -1.653
  476    H    VAL  62           H        VAL  62  -3.015 -10.778   2.882
  477    HA   VAL  62           HA       VAL  62  -2.506 -11.473   5.620
  478    HB   VAL  62           HB       VAL  62  -4.778 -10.738   4.106
  479   1HG1  VAL  62          3HG1      VAL  62  -5.116 -13.410   5.464
  480   2HG1  VAL  62          2HG1      VAL  62  -6.434 -12.394   4.879
  481   3HG1  VAL  62          1HG1      VAL  62  -5.275 -13.077   3.739
  482   1HG2  VAL  62          2HG2      VAL  62  -4.372 -11.379   7.020
  483   2HG2  VAL  62          1HG2      VAL  62  -4.276  -9.800   6.242
  484   3HG2  VAL  62          3HG2      VAL  62  -5.829 -10.625   6.372
  485    H    LYS  63           H        LYS  63  -3.028 -13.192   2.620
  486    HA   LYS  63           HA       LYS  63  -2.631 -15.733   4.057
  487   1HB   LYS  63          2HB       LYS  63  -4.623 -14.953   2.039
  488   2HB   LYS  63          1HB       LYS  63  -3.827 -16.488   1.725
  489   1HG   LYS  63          2HG       LYS  63  -4.653 -16.260   4.487
  490   2HG   LYS  63          1HG       LYS  63  -6.006 -16.058   3.372
  491   1HD   LYS  63          2HD       LYS  63  -4.408 -18.207   2.430
  492   2HD   LYS  63          1HD       LYS  63  -4.691 -18.455   4.153
  493   1HE   LYS  63          2HE       LYS  63  -6.900 -18.817   3.874
  494   2HE   LYS  63          1HE       LYS  63  -7.040 -17.618   2.591
  495   1HZ   LYS  63          1HZ       LYS  63  -5.966 -19.229   1.087
  496   2HZ   LYS  63          3HZ       LYS  63  -6.002 -20.384   2.324
  497   3HZ   LYS  63          2HZ       LYS  63  -7.448 -19.778   1.691
  498    HA   PRO  64           HA       PRO  64   1.144 -15.308   1.524
  499   1HB   PRO  64          2HB       PRO  64   1.737 -17.777   3.058
  500   2HB   PRO  64          1HB       PRO  64   2.724 -16.334   2.824
  501   1HG   PRO  64          2HG       PRO  64   1.501 -16.821   5.151
  502   2HG   PRO  64          1HG       PRO  64   1.667 -15.175   4.519
  503   1HD   PRO  64          2HD       PRO  64  -0.727 -16.949   4.583
  504   2HD   PRO  64          1HD       PRO  64  -0.621 -15.186   4.756
  505    H    GLY  65           H        GLY  65   0.390 -15.873  -0.493
  506   1HA   GLY  65          2HA       GLY  65  -0.575 -17.327  -2.096
  507   2HA   GLY  65          1HA       GLY  65  -0.318 -18.671  -0.995
  508    HA   PRO  66           HA       PRO  66   3.168 -19.724  -3.499
  509   1HB   PRO  66          2HB       PRO  66   2.386 -20.003  -6.077
  510   2HB   PRO  66          1HB       PRO  66   1.915 -21.138  -4.808
  511   1HG   PRO  66          2HG       PRO  66   0.362 -18.875  -6.004
  512   2HG   PRO  66          1HG       PRO  66  -0.184 -20.510  -5.587
  513   1HD   PRO  66          2HD       PRO  66  -0.656 -18.346  -4.013
  514   2HD   PRO  66          1HD       PRO  66  -0.455 -19.985  -3.362
  515    H    ASN  67           H        ASN  67   1.948 -18.164  -6.362
  516    HA   ASN  67           HA       ASN  67   4.320 -16.573  -6.594
  517   1HB   ASN  67          2HB       ASN  67   3.726 -16.303  -8.774
  518   2HB   ASN  67          1HB       ASN  67   2.680 -17.674  -8.421
  519   1HD2  ASN  67          2HD2      ASN  67   0.530 -16.908  -7.352
  520   2HD2  ASN  67          1HD2      ASN  67  -0.272 -15.632  -8.194
  521    H    CYS  68           H        CYS  68   1.318 -16.145  -5.108
  522    HA   CYS  68           HA       CYS  68   1.587 -13.215  -5.179
  523   1HB   CYS  68          2HB       CYS  68  -0.643 -14.813  -5.656
  524   2HB   CYS  68          1HB       CYS  68  -0.891 -14.206  -4.022
  525    H    GLY  69           H        GLY  69   3.373 -14.311  -3.545
  526   1HA   GLY  69          1HA       GLY  69   2.331 -14.688  -0.878
  527   2HA   GLY  69          2HA       GLY  69   3.105 -13.127  -1.120
  528    H    PHE  70           H        PHE  70   4.225 -15.906  -2.868
  529    HA   PHE  70           HA       PHE  70   6.098 -17.199  -2.711
  530   1HB   PHE  70          2HB       PHE  70   7.029 -14.975  -3.329
  531   2HB   PHE  70          1HB       PHE  70   7.283 -14.640  -1.621
  532    HD1  PHE  70           HD1      PHE  70   8.049 -17.385  -4.036
  533    HD2  PHE  70           HD2      PHE  70   9.423 -14.903  -0.864
  534    HE1  PHE  70           HE1      PHE  70  10.260 -18.457  -4.161
  535    HE2  PHE  70           HE2      PHE  70  11.637 -15.969  -0.984
  536    HZ   PHE  70           HZ       PHE  70  12.058 -17.748  -2.634
  537    H    GLY  71           H        GLY  71   4.338 -17.284  -0.426
  538   1HA   GLY  71          1HA       GLY  71   5.919 -18.769   1.356
  539   2HA   GLY  71          2HA       GLY  71   4.290 -18.187   1.686
  540    H    LYS  72           H        LYS  72   4.776 -15.421   1.512
  541    HA   LYS  72           HA       LYS  72   6.758 -14.939   3.626
  542   1HB   LYS  72          2HB       LYS  72   5.457 -13.105   1.616
  543   2HB   LYS  72          1HB       LYS  72   6.393 -12.505   2.979
  544   1HG   LYS  72          2HG       LYS  72   8.387 -13.320   2.142
  545   2HG   LYS  72          1HG       LYS  72   7.587 -14.515   1.120
  546   1HD   LYS  72          2HD       LYS  72   7.058 -12.968  -0.509
  547   2HD   LYS  72          1HD       LYS  72   7.127 -11.609   0.615
  548   1HE   LYS  72          2HE       LYS  72   9.425 -11.468   0.517
  549   2HE   LYS  72          1HE       LYS  72   9.611 -13.155   0.035
  550   1HZ   LYS  72          2HZ       LYS  72   8.191 -11.997  -2.000
  551   2HZ   LYS  72          1HZ       LYS  72   9.349 -10.831  -1.595
  552   3HZ   LYS  72          3HZ       LYS  72   9.835 -12.395  -2.023
  553    H    THR  73           H        THR  73   6.223 -13.705   5.460
  554    HA   THR  73           HA       THR  73   3.335 -13.515   6.011
  555    HB   THR  73           HB       THR  73   4.413 -13.741   8.494
  556    HG1  THR  73           HG1      THR  73   6.198 -14.894   8.455
  557   1HG2  THR  73          2HG2      THR  73   2.835 -15.328   6.718
  558   2HG2  THR  73          1HG2      THR  73   3.910 -16.386   7.633
  559   3HG2  THR  73          3HG2      THR  73   2.816 -15.293   8.482
  560    H    GLY  74           H        GLY  74   2.606 -11.587   6.663
  561   1HA   GLY  74          2HA       GLY  74   4.339  -9.722   8.054
  562   2HA   GLY  74          1HA       GLY  74   2.626  -9.508   7.719
  563    H    ILE  75           H        ILE  75   3.456  -7.289   7.232
  564    HA   ILE  75           HA       ILE  75   3.474  -6.861   4.452
  565    HB   ILE  75           HB       ILE  75   4.399  -4.865   6.504
  566   1HG1  ILE  75          2HG1      ILE  75   1.819  -4.265   6.287
  567   2HG1  ILE  75          1HG1      ILE  75   1.691  -5.987   5.966
  568   1HG2  ILE  75          2HG2      ILE  75   4.103  -4.734   3.737
  569   2HG2  ILE  75          1HG2      ILE  75   2.697  -3.895   4.393
  570   3HG2  ILE  75          3HG2      ILE  75   4.322  -3.386   4.854
  571   1HD1  ILE  75          1HD1      ILE  75   3.320  -5.339   8.296
  572   2HD1  ILE  75          3HD1      ILE  75   1.636  -4.833   8.426
  573   3HD1  ILE  75          2HD1      ILE  75   2.028  -6.522   8.101
  574    H    ILE  76           H        ILE  76   5.124  -7.704   3.316
  575    HA   ILE  76           HA       ILE  76   7.837  -7.694   4.158
  576    HB   ILE  76           HB       ILE  76   6.940  -7.941   1.298
  577   1HG1  ILE  76          1HG1      ILE  76   5.455  -9.376   2.551
  578   2HG1  ILE  76          2HG1      ILE  76   6.659 -10.378   1.748
  579   1HG2  ILE  76          2HG2      ILE  76   9.420  -8.006   2.388
  580   2HG2  ILE  76          1HG2      ILE  76   8.992  -9.718   2.411
  581   3HG2  ILE  76          3HG2      ILE  76   8.962  -8.821   0.892
  582   1HD1  ILE  76          2HD1      ILE  76   6.966  -9.507   4.598
  583   2HD1  ILE  76          1HD1      ILE  76   6.069 -10.956   4.144
  584   3HD1  ILE  76          3HD1      ILE  76   7.783 -10.821   3.752
  585    H    ASP  77           H        ASP  77   8.313  -5.523   4.685
  586    HA   ASP  77           HA       ASP  77   8.449  -3.670   2.404
  587   1HB   ASP  77          2HB       ASP  77   7.202  -3.120   4.645
  588   2HB   ASP  77          1HB       ASP  77   8.825  -2.794   5.244
  589    H    TYR  78           H        TYR  78  10.374  -3.368   1.522
  590    HA   TYR  78           HA       TYR  78  12.769  -4.191   2.960
  591   1HB   TYR  78          2HB       TYR  78  12.374  -3.300   0.097
  592   2HB   TYR  78          1HB       TYR  78  13.901  -3.852   0.776
  593    HD1  TYR  78           HD1      TYR  78  10.364  -4.993   0.392
  594    HD2  TYR  78           HD2      TYR  78  14.476  -6.076   0.521
  595    HE1  TYR  78           HE1      TYR  78   9.763  -7.312  -0.159
  596    HE2  TYR  78           HE2      TYR  78  13.888  -8.399  -0.031
  597    HH   TYR  78           HH       TYR  78  11.683  -9.868   0.299
  598    H    GLY  79           H        GLY  79  11.019  -1.369   2.435
  599   1HA   GLY  79          2HA       GLY  79  13.335   0.241   3.284
  600   2HA   GLY  79          1HA       GLY  79  11.646   0.649   3.577
  601    H    ILE  80           H        ILE  80  12.679   2.728   2.658
  602    HA   ILE  80           HA       ILE  80  11.583   3.202   0.120
  603    HB   ILE  80           HB       ILE  80  13.712   4.855   1.480
  604   1HG1  ILE  80          1HG1      ILE  80  10.758   5.359   1.691
  605   2HG1  ILE  80          2HG1      ILE  80  11.545   4.236   2.795
  606   1HG2  ILE  80          2HG2      ILE  80  11.787   5.353  -0.754
  607   2HG2  ILE  80          1HG2      ILE  80  12.363   6.687   0.245
  608   3HG2  ILE  80          3HG2      ILE  80  13.511   5.706  -0.664
  609   1HD1  ILE  80          3HD1      ILE  80  12.864   6.842   2.529
  610   2HD1  ILE  80          2HD1      ILE  80  11.255   6.874   3.252
  611   3HD1  ILE  80          1HD1      ILE  80  12.523   5.876   3.964
  612    H    ARG  81           H        ARG  81  12.313   2.731  -1.838
  613    HA   ARG  81           HA       ARG  81  15.073   1.857  -2.170
  614   1HB   ARG  81          2HB       ARG  81  12.763   1.816  -4.121
  615   2HB   ARG  81          1HB       ARG  81  14.340   1.081  -4.383
  616   1HG   ARG  81          2HG       ARG  81  13.204  -0.753  -3.695
  617   2HG   ARG  81          1HG       ARG  81  13.719  -0.152  -2.118
  618   1HD   ARG  81          2HD       ARG  81  11.612   0.740  -1.638
  619   2HD   ARG  81          1HD       ARG  81  11.107   0.688  -3.327
  620    HE   ARG  81           HE       ARG  81  11.236  -1.586  -1.480
  621   1HH1  ARG  81          2HH1      ARG  81  10.388  -0.269  -4.591
  622   2HH1  ARG  81          1HH1      ARG  81   9.411  -1.625  -5.044
  623   1HH2  ARG  81          1HH2      ARG  81   9.952  -3.378  -2.066
  624   2HH2  ARG  81          2HH2      ARG  81   9.163  -3.393  -3.608
  625    H    LEU  82           H        LEU  82  13.809   4.751  -2.047
  626    HA   LEU  82           HA       LEU  82  14.317   6.802  -2.885
  627   1HB   LEU  82          2HB       LEU  82  16.668   5.447  -2.753
  628   2HB   LEU  82          1HB       LEU  82  16.632   5.868  -4.451
  629    HG   LEU  82           HG       LEU  82  17.846   7.593  -3.424
  630   1HD1  LEU  82          3HD1      LEU  82  15.755   8.216  -4.874
  631   2HD1  LEU  82          2HD1      LEU  82  15.168   8.898  -3.357
  632   3HD1  LEU  82          1HD1      LEU  82  16.686   9.469  -4.052
  633   1HD2  LEU  82          1HD2      LEU  82  16.563   6.865  -1.122
  634   2HD2  LEU  82          3HD2      LEU  82  17.634   8.255  -1.300
  635   3HD2  LEU  82          2HD2      LEU  82  15.888   8.462  -1.440
  636    H    ASN  83           H        ASN  83  12.494   5.238  -4.362
  637    HA   ASN  83           HA       ASN  83  12.812   6.491  -6.976
  638   1HB   ASN  83          2HB       ASN  83  13.091   3.655  -6.507
  639   2HB   ASN  83          1HB       ASN  83  11.711   3.973  -7.553
  640   1HD2  ASN  83          1HD2      ASN  83  12.165   5.555  -9.347
  641   2HD2  ASN  83          2HD2      ASN  83  13.672   5.380 -10.172
  642    H    ARG  84           H        ARG  84  11.160   7.831  -5.884
  643    HA   ARG  84           HA       ARG  84   8.591   6.716  -5.316
  644   1HB   ARG  84          2HB       ARG  84   9.678   9.508  -5.527
  645   2HB   ARG  84          1HB       ARG  84   7.952   9.228  -5.365
  646   1HG   ARG  84          2HG       ARG  84   8.499   9.476  -3.177
  647   2HG   ARG  84          1HG       ARG  84   8.735   7.736  -3.338
  648   1HD   ARG  84          2HD       ARG  84  11.096   8.005  -3.571
  649   2HD   ARG  84          1HD       ARG  84  10.940   9.758  -3.685
  650    HE   ARG  84           HE       ARG  84  10.881   8.153  -1.280
  651   1HH1  ARG  84          2HH1      ARG  84  10.166  11.228  -2.748
  652   2HH1  ARG  84          1HH1      ARG  84  10.174  12.093  -1.247
  653   1HH2  ARG  84          2HH2      ARG  84  10.897   9.283   0.702
  654   2HH2  ARG  84          1HH2      ARG  84  10.590  10.988   0.713
  655    H    SER  85           H        SER  85   9.914   6.563  -8.097
  656    HA   SER  85           HA       SER  85   7.627   7.614  -9.626
  657   1HB   SER  85          2HB       SER  85  10.532   7.310 -10.328
  658   2HB   SER  85          1HB       SER  85   9.309   7.333 -11.600
  659    HG   SER  85           HG       SER  85  10.289   9.419 -10.925
  660    H    GLU  86           H        GLU  86   8.554   4.884  -8.257
  661    HA   GLU  86           HA       GLU  86   8.571   2.958 -10.312
  662   1HB   GLU  86          2HB       GLU  86   8.047   2.904  -7.367
  663   2HB   GLU  86          1HB       GLU  86   7.686   1.476  -8.326
  664   1HG   GLU  86          2HG       GLU  86  10.337   2.656  -8.783
  665   2HG   GLU  86          1HG       GLU  86  10.073   1.981  -7.176
  666    H    ARG  87           H        ARG  87   6.651   1.110  -9.853
  667    HA   ARG  87           HA       ARG  87   4.090   2.504 -10.167
  668   1HB   ARG  87          2HB       ARG  87   3.571   0.789 -11.997
  669   2HB   ARG  87          1HB       ARG  87   4.599   2.151 -12.414
  670   1HG   ARG  87          2HG       ARG  87   6.090   0.712 -13.185
  671   2HG   ARG  87          1HG       ARG  87   6.336   0.152 -11.531
  672   1HD   ARG  87          2HD       ARG  87   5.062  -1.710 -11.823
  673   2HD   ARG  87          1HD       ARG  87   4.001  -0.932 -12.998
  674    HE   ARG  87           HE       ARG  87   6.190  -1.111 -14.441
  675   1HH1  ARG  87          1HH1      ARG  87   4.828  -3.461 -12.263
  676   2HH1  ARG  87          2HH1      ARG  87   5.454  -4.821 -13.132
  677   1HH2  ARG  87          1HH2      ARG  87   7.017  -2.895 -15.595
  678   2HH2  ARG  87          2HH2      ARG  87   6.699  -4.499 -15.028
  679    H    TRP  88           H        TRP  88   2.812   1.777  -8.651
  680    HA   TRP  88           HA       TRP  88   2.351  -1.060  -8.332
  681   1HB   TRP  88          2HB       TRP  88   2.922   0.456  -5.805
  682   2HB   TRP  88          1HB       TRP  88   2.923  -1.282  -6.079
  683    HD1  TRP  88           HD1      TRP  88   5.186   1.689  -5.969
  684    HE1  TRP  88           HE1      TRP  88   7.598   0.966  -6.510
  685    HE3  TRP  88           HE3      TRP  88   4.259  -3.054  -7.640
  686    HZ2  TRP  88           HZ2      TRP  88   8.930  -1.314  -7.511
  687    HZ3  TRP  88           HZ3      TRP  88   6.157  -4.441  -8.369
  688    HH2  TRP  88           HH2      TRP  88   8.443  -3.587  -8.306
  689    H    ASP  89           H        ASP  89   1.109  -0.492  -5.673
  690    HA   ASP  89           HA       ASP  89  -1.326   0.816  -6.678
  691   1HB   ASP  89          2HB       ASP  89  -1.242  -0.896  -4.212
  692   2HB   ASP  89          1HB       ASP  89  -2.602  -0.556  -5.279
  693    H    ALA  90           H        ALA  90  -2.627   1.420  -4.377
  694    HA   ALA  90           HA       ALA  90  -0.794   3.037  -2.764
  695   1HB   ALA  90          1HB       ALA  90  -1.457   4.582  -4.445
  696   2HB   ALA  90          2HB       ALA  90  -2.350   4.988  -2.979
  697   3HB   ALA  90          3HB       ALA  90  -3.153   4.122  -4.289
  698    H    TYR  91           H        TYR  91  -1.208   2.705  -0.683
  699    HA   TYR  91           HA       TYR  91  -3.771   1.581   0.118
  700   1HB   TYR  91          2HB       TYR  91  -1.077   1.837   1.395
  701   2HB   TYR  91          1HB       TYR  91  -2.489   1.612   2.420
  702    HD1  TYR  91           HD1      TYR  91  -4.026  -0.409   1.827
  703    HD2  TYR  91           HD2      TYR  91  -0.003  -0.005   0.503
  704    HE1  TYR  91           HE1      TYR  91  -3.922  -2.834   1.417
  705    HE2  TYR  91           HE2      TYR  91   0.113  -2.425   0.094
  706    HH   TYR  91           HH       TYR  91  -1.709  -4.293  -0.434
  707    H    CYS  92           H        CYS  92  -5.351   2.992   0.507
  708    HA   CYS  92           HA       CYS  92  -4.757   5.670   1.416
  709   1HB   CYS  92          2HB       CYS  92  -7.387   4.322   0.788
  710   2HB   CYS  92          1HB       CYS  92  -7.173   6.032   1.128
  711    H    TYR  93           H        TYR  93  -6.173   6.597   3.175
  712    HA   TYR  93           HA       TYR  93  -7.046   4.793   5.243
  713   1HB   TYR  93          2HB       TYR  93  -4.650   4.787   5.657
  714   2HB   TYR  93          1HB       TYR  93  -4.618   6.541   5.655
  715    HD1  TYR  93           HD1      TYR  93  -6.348   7.622   7.422
  716    HD2  TYR  93           HD2      TYR  93  -4.621   3.744   7.703
  717    HE1  TYR  93           HE1      TYR  93  -6.745   7.630   9.848
  718    HE2  TYR  93           HE2      TYR  93  -5.013   3.739  10.131
  719    HH   TYR  93           HH       TYR  93  -7.027   5.416  11.673
  720    H    ASN  94           H        ASN  94  -8.766   5.689   6.162
  721    HA   ASN  94           HA       ASN  94  -8.853   8.589   6.547
  722   1HB   ASN  94          2HB       ASN  94 -11.003   6.960   5.179
  723   2HB   ASN  94          1HB       ASN  94 -11.235   8.606   5.759
  724   1HD2  ASN  94          2HD2      ASN  94 -11.169  10.011   4.179
  725   2HD2  ASN  94          1HD2      ASN  94 -10.130   9.953   2.798
  726    HA   PRO  95           HA       PRO  95 -10.193   7.674  10.642
  727   1HB   PRO  95          2HB       PRO  95 -12.217   9.811  10.149
  728   2HB   PRO  95          1HB       PRO  95 -11.087   9.619  11.496
  729   1HG   PRO  95          2HG       PRO  95 -10.624  11.404   9.570
  730   2HG   PRO  95          1HG       PRO  95  -9.301  10.470  10.291
  731   1HD   PRO  95          2HD       PRO  95 -10.601  10.173   7.629
  732   2HD   PRO  95          1HD       PRO  95  -8.919   9.870   8.107
  733    H    HIS  96           H        HIS  96 -12.591   8.088   8.093
  734    HA   HIS  96           HA       HIS  96 -14.228   6.007   9.380
  735   1HB   HIS  96          2HB       HIS  96 -15.327   8.214   9.534
  736   2HB   HIS  96          1HB       HIS  96 -15.241   8.369   7.782
  737    HD1  HIS  96           HD1      HIS  96 -17.076   6.563  10.496
  738    HD2  HIS  96           HD2      HIS  96 -17.132   6.891   6.355
  739    HE1  HIS  96           HE1      HIS  96 -19.220   5.469   9.765
  740    HE2  HIS  96           HE2      HIS  96 -19.267   5.744   7.260
  741    H    ALA  97           H        ALA  97 -12.912   7.372   6.457
  742    HA   ALA  97           HA       ALA  97 -12.986   6.688   4.259
  743   1HB   ALA  97          1HB       ALA  97 -12.430   4.005   4.432
  744   2HB   ALA  97          2HB       ALA  97 -11.876   4.624   5.987
  745   3HB   ALA  97          3HB       ALA  97 -11.245   5.310   4.491
  746    H    LYS  98           H        LYS  98 -15.334   7.056   4.114
  747    HA   LYS  98           HA       LYS  98 -17.179   4.921   4.421
  748   1HB   LYS  98          2HB       LYS  98 -17.520   7.539   4.228
  749   2HB   LYS  98          1HB       LYS  98 -17.715   7.160   2.522
  750   1HG   LYS  98          2HG       LYS  98 -19.255   5.432   4.307
  751   2HG   LYS  98          1HG       LYS  98 -19.706   7.137   4.377
  752   1HD   LYS  98          2HD       LYS  98 -19.387   5.704   1.759
  753   2HD   LYS  98          1HD       LYS  98 -20.901   5.647   2.663
  754   1HE   LYS  98          2HE       LYS  98 -21.471   7.592   1.759
  755   2HE   LYS  98          1HE       LYS  98 -20.116   8.344   2.602
  756   1HZ   LYS  98          2HZ       LYS  98 -18.841   7.306   0.536
  757   2HZ   LYS  98          1HZ       LYS  98 -20.352   7.541  -0.187
  758   3HZ   LYS  98          3HZ       LYS  98 -19.529   8.851   0.497

  No H/Q in entry =         758
  Start of MODEL   12
    1    H1   GLY   1          1H        GLY   1 -11.769   2.688   6.761
    2    H2   GLY   1          3H        GLY   1 -12.202   2.565   8.392
    3    H3   GLY   1          2H        GLY   1 -12.297   4.057   7.602
    4   1HA   GLY   1          2HA       GLY   1 -10.050   2.786   8.853
    5   2HA   GLY   1          1HA       GLY   1 -10.301   4.481   8.462
    6    H    VAL   2           H        VAL   2  -8.415   1.859   7.832
    7    HA   VAL   2           HA       VAL   2  -7.387   3.100   5.390
    8    HB   VAL   2           HB       VAL   2  -5.686   2.821   7.011
    9   1HG1  VAL   2          3HG1      VAL   2  -7.194   0.597   7.829
   10   2HG1  VAL   2          2HG1      VAL   2  -5.600  -0.013   7.388
   11   3HG1  VAL   2          1HG1      VAL   2  -5.752   1.267   8.591
   12   1HG2  VAL   2          1HG2      VAL   2  -5.541   0.671   4.912
   13   2HG2  VAL   2          3HG2      VAL   2  -4.873   2.300   4.844
   14   3HG2  VAL   2          2HG2      VAL   2  -4.183   1.109   5.947
   15    H    TYR   3           H        TYR   3  -7.231   2.046   3.459
   16    HA   TYR   3           HA       TYR   3  -7.902  -0.780   3.295
   17   1HB   TYR   3          2HB       TYR   3  -9.583  -0.307   1.472
   18   2HB   TYR   3          1HB       TYR   3 -10.094   0.141   3.095
   19    HD1  TYR   3           HD1      TYR   3 -10.149   2.530   3.758
   20    HD2  TYR   3           HD2      TYR   3  -9.316   1.337  -0.240
   21    HE1  TYR   3           HE1      TYR   3 -10.630   4.814   2.983
   22    HE2  TYR   3           HE2      TYR   3  -9.794   3.618  -1.026
   23    HH   TYR   3           HH       TYR   3  -9.688   6.120   0.412
   24    H    HIS   4           H        HIS   4  -7.936  -1.367   0.792
   25    HA   HIS   4           HA       HIS   4  -5.368  -0.435  -0.222
   26   1HB   HIS   4          2HB       HIS   4  -5.299  -2.706  -0.426
   27   2HB   HIS   4          1HB       HIS   4  -7.046  -2.852  -0.583
   28    HD1  HIS   4           HD1      HIS   4  -8.014  -2.947  -2.925
   29    HD2  HIS   4           HD2      HIS   4  -3.932  -2.170  -2.871
   30    HE1  HIS   4           HE1      HIS   4  -7.256  -3.164  -5.313
   31    HE2  HIS   4           HE2      HIS   4  -4.762  -2.816  -5.233
   32    H    ARG   5           H        ARG   5  -5.082   0.156  -2.451
   33    HA   ARG   5           HA       ARG   5  -7.458   0.903  -3.952
   34   1HB   ARG   5          2HB       ARG   5  -6.846   2.815  -2.400
   35   2HB   ARG   5          1HB       ARG   5  -5.367   2.984  -3.334
   36   1HG   ARG   5          2HG       ARG   5  -6.888   4.578  -4.177
   37   2HG   ARG   5          1HG       ARG   5  -6.812   3.281  -5.371
   38   1HD   ARG   5          2HD       ARG   5  -9.075   3.565  -5.242
   39   2HD   ARG   5          1HD       ARG   5  -8.847   2.345  -3.989
   40    HE   ARG   5           HE       ARG   5  -8.952   4.166  -2.356
   41   1HH1  ARG   5          2HH1      ARG   5 -10.153   4.772  -5.569
   42   2HH1  ARG   5          1HH1      ARG   5 -11.194   6.066  -5.075
   43   1HH2  ARG   5          1HH2      ARG   5 -10.321   5.867  -1.696
   44   2HH2  ARG   5          2HH2      ARG   5 -11.289   6.688  -2.874
   45    H    GLU   6           H        GLU   6  -7.035   1.413  -6.159
   46    HA   GLU   6           HA       GLU   6  -4.345   0.656  -7.090
   47   1HB   GLU   6          2HB       GLU   6  -5.724  -1.225  -7.563
   48   2HB   GLU   6          1HB       GLU   6  -7.029  -0.212  -8.160
   49   1HG   GLU   6          2HG       GLU   6  -5.682   0.403 -10.089
   50   2HG   GLU   6          1HG       GLU   6  -4.350  -0.579  -9.481
   51    H    ALA   7           H        ALA   7  -4.141   1.273  -9.523
   52    HA   ALA   7           HA       ALA   7  -4.634   4.117  -9.669
   53   1HB   ALA   7          3HB       ALA   7  -3.053   4.188 -11.352
   54   2HB   ALA   7          2HB       ALA   7  -2.506   2.814 -10.391
   55   3HB   ALA   7          1HB       ALA   7  -3.397   2.544 -11.889
   56    H    ARG   8           H        ARG   8  -5.706   5.185 -11.385
   57    HA   ARG   8           HA       ARG   8  -8.164   4.050 -12.139
   58   1HB   ARG   8          2HB       ARG   8  -6.683   6.543 -12.774
   59   2HB   ARG   8          1HB       ARG   8  -7.954   6.073 -13.895
   60   1HG   ARG   8          2HG       ARG   8  -8.375   6.346 -10.930
   61   2HG   ARG   8          1HG       ARG   8  -8.650   7.651 -12.084
   62   1HD   ARG   8          2HD       ARG   8  -9.965   4.963 -12.356
   63   2HD   ARG   8          1HD       ARG   8 -10.670   6.262 -11.396
   64    HE   ARG   8           HE       ARG   8  -9.997   6.828 -14.181
   65   1HH1  ARG   8          2HH1      ARG   8 -12.420   6.182 -11.762
   66   2HH1  ARG   8          1HH1      ARG   8 -13.730   6.768 -12.732
   67   1HH2  ARG   8          1HH2      ARG   8 -11.716   7.601 -15.467
   68   2HH2  ARG   8          2HH2      ARG   8 -13.329   7.574 -14.838
   69    H    SER   9           H        SER   9  -5.046   3.773 -13.489
   70    HA   SER   9           HA       SER   9  -6.087   2.917 -16.089
   71   1HB   SER   9          2HB       SER   9  -3.335   3.632 -15.094
   72   2HB   SER   9          1HB       SER   9  -3.562   2.763 -16.613
   73    HG   SER   9           HG       SER   9  -3.817   4.697 -17.398
   74    H    GLY  10           H        GLY  10  -4.630   1.709 -13.172
   75   1HA   GLY  10          2HA       GLY  10  -4.122  -0.914 -14.341
   76   2HA   GLY  10          1HA       GLY  10  -5.428  -0.823 -13.167
   77    H    LYS  11           H        LYS  11  -3.981  -2.439 -12.107
   78    HA   LYS  11           HA       LYS  11  -2.718  -1.311  -9.877
   79   1HB   LYS  11          2HB       LYS  11  -3.578  -3.503  -9.650
   80   2HB   LYS  11          1HB       LYS  11  -2.693  -4.084 -11.055
   81   1HG   LYS  11          2HG       LYS  11  -0.641  -4.074  -9.893
   82   2HG   LYS  11          1HG       LYS  11  -1.315  -3.133  -8.560
   83   1HD   LYS  11          2HD       LYS  11  -2.047  -4.967  -7.525
   84   2HD   LYS  11          1HD       LYS  11  -2.798  -5.580  -8.999
   85   1HE   LYS  11          2HE       LYS  11  -0.407  -6.212  -9.704
   86   2HE   LYS  11          1HE       LYS  11   0.003  -5.982  -8.005
   87   1HZ   LYS  11          2HZ       LYS  11  -2.327  -7.599  -8.344
   88   2HZ   LYS  11          1HZ       LYS  11  -0.984  -8.263  -9.129
   89   3HZ   LYS  11          3HZ       LYS  11  -0.914  -7.919  -7.473
   90    H    TYR  12           H        TYR  12  -0.501  -1.368  -9.231
   91    HA   TYR  12           HA       TYR  12   1.700  -0.874  -9.512
   92   1HB   TYR  12          2HB       TYR  12   1.277  -2.906 -11.695
   93   2HB   TYR  12          1HB       TYR  12   2.853  -2.180 -11.403
   94    HD1  TYR  12           HD1      TYR  12   1.046  -2.443  -8.379
   95    HD2  TYR  12           HD2      TYR  12   3.373  -4.723 -11.114
   96    HE1  TYR  12           HE1      TYR  12   1.482  -4.096  -6.617
   97    HE2  TYR  12           HE2      TYR  12   3.817  -6.386  -9.358
   98    HH   TYR  12           HH       TYR  12   3.614  -5.945  -6.313
   99    H    LYS  13           H        LYS  13   0.136   1.104 -10.395
  100    HA   LYS  13           HA       LYS  13   1.656   2.161 -12.652
  101   1HB   LYS  13          2HB       LYS  13  -1.240   1.597 -12.578
  102   2HB   LYS  13          1HB       LYS  13  -0.800   3.185 -13.184
  103   1HG   LYS  13          2HG       LYS  13   0.928   1.666 -14.575
  104   2HG   LYS  13          1HG       LYS  13  -0.399   0.519 -14.369
  105   1HD   LYS  13          2HD       LYS  13  -1.688   2.847 -15.074
  106   2HD   LYS  13          1HD       LYS  13  -0.221   2.889 -16.055
  107   1HE   LYS  13          2HE       LYS  13  -1.886   0.405 -15.889
  108   2HE   LYS  13          1HE       LYS  13  -2.325   1.710 -16.991
  109   1HZ   LYS  13          1HZ       LYS  13   0.395   0.559 -16.983
  110   2HZ   LYS  13          3HZ       LYS  13  -0.854  -0.146 -17.881
  111   3HZ   LYS  13          2HZ       LYS  13  -0.374   1.444 -18.203
  112    H    LEU  14           H        LEU  14   0.691   2.468  -9.567
  113    HA   LEU  14           HA       LEU  14   0.443   5.397  -9.642
  114   1HB   LEU  14          2HB       LEU  14  -0.438   3.280  -7.735
  115   2HB   LEU  14          1HB       LEU  14  -0.104   4.882  -7.110
  116    HG   LEU  14           HG       LEU  14  -1.977   4.523  -9.424
  117   1HD1  LEU  14          3HD1      LEU  14  -2.503   3.053  -7.331
  118   2HD1  LEU  14          2HD1      LEU  14  -2.996   4.591  -6.621
  119   3HD1  LEU  14          1HD1      LEU  14  -3.778   4.007  -8.090
  120   1HD2  LEU  14          1HD2      LEU  14  -0.967   6.738  -8.218
  121   2HD2  LEU  14          3HD2      LEU  14  -2.503   6.676  -9.082
  122   3HD2  LEU  14          2HD2      LEU  14  -2.472   6.510  -7.326
  123    H    THR  15           H        THR  15   1.956   6.681  -8.779
  124    HA   THR  15           HA       THR  15   4.309   5.387  -7.577
  125    HB   THR  15           HB       THR  15   5.652   7.084  -8.386
  126    HG1  THR  15           HG1      THR  15   4.780   8.931  -7.642
  127   1HG2  THR  15          3HG2      THR  15   3.368   6.674 -10.279
  128   2HG2  THR  15          2HG2      THR  15   4.685   7.768 -10.700
  129   3HG2  THR  15          1HG2      THR  15   5.021   6.066 -10.376
  130    H    TYR  16           H        TYR  16   5.257   6.306  -5.679
  131    HA   TYR  16           HA       TYR  16   3.739   6.771  -3.541
  132   1HB   TYR  16          2HB       TYR  16   6.150   6.677  -3.347
  133   2HB   TYR  16          1HB       TYR  16   6.315   8.223  -4.173
  134    HD1  TYR  16           HD1      TYR  16   4.847   6.682  -1.111
  135    HD2  TYR  16           HD2      TYR  16   6.403  10.197  -2.943
  136    HE1  TYR  16           HE1      TYR  16   4.745   7.849   1.051
  137    HE2  TYR  16           HE2      TYR  16   6.308  11.370  -0.783
  138    HH   TYR  16           HH       TYR  16   5.892  11.192   1.394
  139    H    ALA  17           H        ALA  17   4.691   9.301  -5.834
  140    HA   ALA  17           HA       ALA  17   3.356  11.406  -4.470
  141   1HB   ALA  17          2HB       ALA  17   4.149  11.262  -7.377
  142   2HB   ALA  17          1HB       ALA  17   3.767  12.720  -6.461
  143   3HB   ALA  17          3HB       ALA  17   5.201  11.776  -6.058
  144    H    GLU  18           H        GLU  18   2.450   9.352  -7.235
  145    HA   GLU  18           HA       GLU  18  -0.046  10.596  -7.712
  146   1HB   GLU  18          2HB       GLU  18   0.578   7.707  -8.286
  147   2HB   GLU  18          1HB       GLU  18  -0.479   8.789  -9.173
  148   1HG   GLU  18          2HG       GLU  18   1.618  10.131  -9.710
  149   2HG   GLU  18          1HG       GLU  18   2.513   8.728  -9.129
  150    H    ALA  19           H        ALA  19   0.815   7.561  -6.112
  151    HA   ALA  19           HA       ALA  19  -1.574   6.653  -5.212
  152   1HB   ALA  19          2HB       ALA  19  -0.084   5.194  -4.420
  153   2HB   ALA  19          3HB       ALA  19   0.084   6.262  -3.027
  154   3HB   ALA  19          1HB       ALA  19   1.195   6.410  -4.389
  155    H    LYS  20           H        LYS  20   0.408   9.182  -3.719
  156    HA   LYS  20           HA       LYS  20  -1.266   9.614  -1.477
  157   1HB   LYS  20          2HB       LYS  20   1.191  10.333  -1.889
  158   2HB   LYS  20          1HB       LYS  20   0.489  11.724  -2.699
  159   1HG   LYS  20          2HG       LYS  20  -0.875  11.951  -0.477
  160   2HG   LYS  20          1HG       LYS  20   0.451  10.991   0.184
  161   1HD   LYS  20          2HD       LYS  20   2.030  12.634  -0.256
  162   2HD   LYS  20          1HD       LYS  20   1.022  13.413  -1.478
  163   1HE   LYS  20          2HE       LYS  20   1.116  14.774   0.527
  164   2HE   LYS  20          1HE       LYS  20  -0.516  14.159   0.280
  165   1HZ   LYS  20          2HZ       LYS  20   0.824  12.302   1.851
  166   2HZ   LYS  20          1HZ       LYS  20   1.173  13.821   2.508
  167   3HZ   LYS  20          3HZ       LYS  20  -0.435  13.332   2.316
  168    H    ALA  21           H        ALA  21  -1.132  11.012  -4.706
  169    HA   ALA  21           HA       ALA  21  -2.919  13.139  -4.283
  170   1HB   ALA  21          2HB       ALA  21  -3.244  13.027  -6.772
  171   2HB   ALA  21          3HB       ALA  21  -2.201  11.605  -6.769
  172   3HB   ALA  21          1HB       ALA  21  -1.569  13.163  -6.236
  173    H    VAL  22           H        VAL  22  -3.439   9.749  -5.032
  174    HA   VAL  22           HA       VAL  22  -6.198   9.979  -5.667
  175    HB   VAL  22           HB       VAL  22  -4.414   7.681  -4.957
  176   1HG1  VAL  22          3HG1      VAL  22  -7.410   7.557  -5.261
  177   2HG1  VAL  22          2HG1      VAL  22  -6.338   6.157  -5.277
  178   3HG1  VAL  22          1HG1      VAL  22  -6.471   7.148  -3.824
  179   1HG2  VAL  22          3HG2      VAL  22  -5.776   8.738  -7.371
  180   2HG2  VAL  22          2HG2      VAL  22  -4.159   8.060  -7.187
  181   3HG2  VAL  22          1HG2      VAL  22  -5.561   6.992  -7.249
  182    H    CYS  23           H        CYS  23  -4.537   8.843  -2.726
  183    HA   CYS  23           HA       CYS  23  -6.896   8.530  -1.209
  184   1HB   CYS  23          2HB       CYS  23  -4.553   7.601  -0.716
  185   2HB   CYS  23          1HB       CYS  23  -4.200   9.182  -0.031
  186    H    GLU  24           H        GLU  24  -4.463  11.127  -1.256
  187    HA   GLU  24           HA       GLU  24  -5.819  12.843   0.518
  188   1HB   GLU  24          2HB       GLU  24  -3.458  13.145  -0.003
  189   2HB   GLU  24          1HB       GLU  24  -3.849  13.486  -1.683
  190   1HG   GLU  24          2HG       GLU  24  -5.106  15.487  -0.929
  191   2HG   GLU  24          1HG       GLU  24  -4.545  15.167   0.711
  192    H    PHE  25           H        PHE  25  -6.350  12.046  -2.768
  193    HA   PHE  25           HA       PHE  25  -7.525  14.305  -3.834
  194   1HB   PHE  25          2HB       PHE  25  -7.210  11.701  -4.640
  195   2HB   PHE  25          1HB       PHE  25  -8.957  11.820  -4.469
  196    HD1  PHE  25           HD1      PHE  25  -6.049  13.512  -6.038
  197    HD2  PHE  25           HD2      PHE  25 -10.232  12.746  -6.168
  198    HE1  PHE  25           HE1      PHE  25  -6.175  14.605  -8.236
  199    HE2  PHE  25           HE2      PHE  25 -10.367  13.840  -8.369
  200    HZ   PHE  25           HZ       PHE  25  -8.337  14.773  -9.405
  201    H    GLU  26           H        GLU  26  -9.056  11.735  -1.938
  202    HA   GLU  26           HA       GLU  26 -11.419  13.451  -1.597
  203   1HB   GLU  26          2HB       GLU  26 -11.205  10.508  -0.966
  204   2HB   GLU  26          1HB       GLU  26 -12.670  11.474  -1.090
  205   1HG   GLU  26          2HG       GLU  26 -12.194  11.814  -3.487
  206   2HG   GLU  26          1HG       GLU  26 -10.809  10.737  -3.332
  207    H    GLY  27           H        GLY  27  -9.424  14.346  -0.127
  208   1HA   GLY  27          1HA       GLY  27 -10.358  14.382   2.470
  209   2HA   GLY  27          2HA       GLY  27  -8.727  14.836   2.003
  210    H    GLY  28           H        GLY  28  -7.915  12.284   1.035
  211   1HA   GLY  28          2HA       GLY  28  -7.731  10.011   1.887
  212   2HA   GLY  28          1HA       GLY  28  -8.007  10.661   3.500
  213    H    HIS  29           H        HIS  29  -5.989   9.305   3.816
  214    HA   HIS  29           HA       HIS  29  -3.570  10.750   3.037
  215   1HB   HIS  29          2HB       HIS  29  -3.032   9.888   5.611
  216   2HB   HIS  29          1HB       HIS  29  -3.392  11.533   5.116
  217    HD1  HIS  29           HD1      HIS  29  -6.370  11.527   4.777
  218    HD2  HIS  29           HD2      HIS  29  -4.449   9.544   7.878
  219    HE1  HIS  29           HE1      HIS  29  -8.096  11.285   6.590
  220    HE2  HIS  29           HE2      HIS  29  -6.882  10.166   8.493
  221    H    LEU  30           H        LEU  30  -1.800   9.506   2.669
  222    HA   LEU  30           HA       LEU  30  -2.043   6.875   1.926
  223   1HB   LEU  30          2HB       LEU  30   0.011   8.794   2.091
  224   2HB   LEU  30          1HB       LEU  30   0.613   7.363   2.905
  225    HG   LEU  30           HG       LEU  30  -0.570   7.283   0.142
  226   1HD1  LEU  30          1HD1      LEU  30   1.855   8.498   0.921
  227   2HD1  LEU  30          3HD1      LEU  30   2.267   6.969   0.141
  228   3HD1  LEU  30          2HD1      LEU  30   1.281   8.157  -0.711
  229   1HD2  LEU  30          3HD2      LEU  30   0.234   5.312   2.008
  230   2HD2  LEU  30          2HD2      LEU  30  -0.308   5.089   0.343
  231   3HD2  LEU  30          1HD2      LEU  30   1.407   5.309   0.689
  232    H    ALA  31           H        ALA  31  -1.787   4.917   2.872
  233    HA   ALA  31           HA       ALA  31  -1.940   4.824   5.759
  234   1HB   ALA  31          3HB       ALA  31  -2.860   3.201   3.641
  235   2HB   ALA  31          2HB       ALA  31  -1.748   2.221   4.598
  236   3HB   ALA  31          1HB       ALA  31  -3.135   2.992   5.372
  237    H    THR  32           H        THR  32  -0.503   3.600   7.084
  238    HA   THR  32           HA       THR  32   2.223   3.467   5.983
  239    HB   THR  32           HB       THR  32   3.062   3.725   8.226
  240    HG1  THR  32           HG1      THR  32   1.431   4.075   9.938
  241   1HG2  THR  32          2HG2      THR  32   0.942   5.659   7.367
  242   2HG2  THR  32          1HG2      THR  32   1.837   5.917   8.865
  243   3HG2  THR  32          3HG2      THR  32   2.696   5.834   7.328
  244    H    TYR  33           H        TYR  33   3.506   1.952   7.766
  245    HA   TYR  33           HA       TYR  33   2.748  -0.701   7.044
  246   1HB   TYR  33          2HB       TYR  33   5.088  -0.191   7.302
  247   2HB   TYR  33          1HB       TYR  33   4.837   0.364   8.949
  248    HD1  TYR  33           HD1      TYR  33   4.298  -2.726   6.902
  249    HD2  TYR  33           HD2      TYR  33   5.431  -1.061  10.650
  250    HE1  TYR  33           HE1      TYR  33   4.812  -4.977   7.740
  251    HE2  TYR  33           HE2      TYR  33   5.948  -3.310  11.499
  252    HH   TYR  33           HH       TYR  33   5.456  -5.599  11.069
  253    H    LYS  34           H        LYS  34   3.296   0.664  10.265
  254    HA   LYS  34           HA       LYS  34   2.076  -1.250  11.782
  255   1HB   LYS  34          2HB       LYS  34   2.208   1.734  12.191
  256   2HB   LYS  34          1HB       LYS  34   1.549   0.647  13.404
  257   1HG   LYS  34          2HG       LYS  34   4.112  -0.303  12.553
  258   2HG   LYS  34          1HG       LYS  34   4.222   1.394  13.028
  259   1HD   LYS  34          2HD       LYS  34   4.243   0.747  15.155
  260   2HD   LYS  34          1HD       LYS  34   2.598   0.145  14.951
  261   1HE   LYS  34          2HE       LYS  34   3.371  -2.029  14.394
  262   2HE   LYS  34          1HE       LYS  34   5.035  -1.468  14.238
  263   1HZ   LYS  34          2HZ       LYS  34   5.027  -0.983  16.625
  264   2HZ   LYS  34          1HZ       LYS  34   3.459  -1.605  16.751
  265   3HZ   LYS  34          3HZ       LYS  34   4.741  -2.620  16.315
  266    H    GLN  35           H        GLN  35   0.543   1.461  10.099
  267    HA   GLN  35           HA       GLN  35  -2.054   1.033  11.127
  268   1HB   GLN  35          2HB       GLN  35  -1.098   2.370   8.593
  269   2HB   GLN  35          1HB       GLN  35  -2.766   2.391   9.140
  270   1HG   GLN  35          2HG       GLN  35  -2.071   3.530  11.193
  271   2HG   GLN  35          1HG       GLN  35  -0.407   3.532  10.615
  272   1HE2  GLN  35          1HE2      GLN  35  -1.475   5.886  11.273
  273   2HE2  GLN  35          2HE2      GLN  35  -1.824   6.827   9.867
  274    H    LEU  36           H        LEU  36  -0.591   0.158   7.998
  275    HA   LEU  36           HA       LEU  36  -2.764  -1.318   7.028
  276   1HB   LEU  36          2HB       LEU  36  -0.237  -0.655   6.111
  277   2HB   LEU  36          1HB       LEU  36  -0.163  -2.399   6.259
  278    HG   LEU  36           HG       LEU  36  -0.837  -1.493   3.994
  279   1HD1  LEU  36          2HD1      LEU  36  -1.500  -3.789   5.250
  280   2HD1  LEU  36          1HD1      LEU  36  -3.100  -3.162   4.856
  281   3HD1  LEU  36          3HD1      LEU  36  -1.916  -3.422   3.576
  282   1HD2  LEU  36          1HD2      LEU  36  -2.524   0.103   5.382
  283   2HD2  LEU  36          3HD2      LEU  36  -2.717  -0.303   3.676
  284   3HD2  LEU  36          2HD2      LEU  36  -3.615  -1.198   4.902
  285    H    GLU  37           H        GLU  37  -0.496  -1.970   9.487
  286    HA   GLU  37           HA       GLU  37  -0.619  -4.821   9.441
  287   1HB   GLU  37          2HB       GLU  37   1.215  -3.517  10.514
  288   2HB   GLU  37          1HB       GLU  37   0.077  -2.994  11.746
  289   1HG   GLU  37          2HG       GLU  37   1.044  -4.741  12.826
  290   2HG   GLU  37          1HG       GLU  37  -0.292  -5.575  12.033
  291    H    ALA  38           H        ALA  38  -1.929  -2.466  11.754
  292    HA   ALA  38           HA       ALA  38  -3.613  -4.230  13.092
  293   1HB   ALA  38          3HB       ALA  38  -4.032  -2.447  14.359
  294   2HB   ALA  38          2HB       ALA  38  -2.991  -1.524  13.275
  295   3HB   ALA  38          1HB       ALA  38  -4.732  -1.568  12.999
  296    H    ALA  39           H        ALA  39  -3.848  -2.959   9.967
  297    HA   ALA  39           HA       ALA  39  -6.746  -3.328   9.799
  298   1HB   ALA  39          2HB       ALA  39  -4.832  -2.458   7.636
  299   2HB   ALA  39          1HB       ALA  39  -6.591  -2.339   7.614
  300   3HB   ALA  39          3HB       ALA  39  -5.655  -1.349   8.735
  301    H    ARG  40           H        ARG  40  -3.734  -4.761   8.921
  302    HA   ARG  40           HA       ARG  40  -4.736  -6.639   7.026
  303   1HB   ARG  40          2HB       ARG  40  -2.426  -6.061   6.914
  304   2HB   ARG  40          1HB       ARG  40  -2.192  -6.413   8.622
  305   1HG   ARG  40          2HG       ARG  40  -2.751  -8.821   8.054
  306   2HG   ARG  40          1HG       ARG  40  -2.592  -8.351   6.361
  307   1HD   ARG  40          2HD       ARG  40  -0.340  -8.106   6.496
  308   2HD   ARG  40          1HD       ARG  40  -0.388  -7.579   8.176
  309    HE   ARG  40           HE       ARG  40  -0.015 -10.243   7.224
  310   1HH1  ARG  40          2HH1      ARG  40  -1.311  -8.351   9.845
  311   2HH1  ARG  40          1HH1      ARG  40  -1.136  -9.615  11.015
  312   1HH2  ARG  40          2HH2      ARG  40   0.220 -11.915   8.758
  313   2HH2  ARG  40          1HH2      ARG  40  -0.265 -11.640  10.398
  314    H    LYS  41           H        LYS  41  -4.228  -6.559  10.484
  315    HA   LYS  41           HA       LYS  41  -4.560  -9.336  10.928
  316   1HB   LYS  41          2HB       LYS  41  -5.113  -7.158  12.933
  317   2HB   LYS  41          1HB       LYS  41  -4.614  -8.814  13.251
  318   1HG   LYS  41          2HG       LYS  41  -2.504  -8.132  11.871
  319   2HG   LYS  41          1HG       LYS  41  -3.003  -6.497  12.309
  320   1HD   LYS  41          2HD       LYS  41  -2.843  -6.978  14.631
  321   2HD   LYS  41          1HD       LYS  41  -2.658  -8.707  14.324
  322   1HE   LYS  41          2HE       LYS  41  -0.504  -8.312  13.274
  323   2HE   LYS  41          1HE       LYS  41  -0.692  -6.573  13.500
  324   1HZ   LYS  41          1HZ       LYS  41  -1.038  -7.839  15.977
  325   2HZ   LYS  41          3HZ       LYS  41   0.386  -8.434  15.280
  326   3HZ   LYS  41          2HZ       LYS  41   0.185  -6.770  15.505
  327    H    ILE  42           H        ILE  42  -6.771  -6.813  10.262
  328    HA   ILE  42           HA       ILE  42  -9.033  -8.133  11.510
  329    HB   ILE  42           HB       ILE  42 -10.336  -6.286  10.831
  330   1HG1  ILE  42          2HG1      ILE  42  -8.359  -4.857   9.222
  331   2HG1  ILE  42          1HG1      ILE  42  -8.841  -6.389   8.506
  332   1HG2  ILE  42          3HG2      ILE  42  -7.540  -5.465  11.573
  333   2HG2  ILE  42          2HG2      ILE  42  -8.864  -4.303  11.450
  334   3HG2  ILE  42          1HG2      ILE  42  -8.955  -5.622  12.617
  335   1HD1  ILE  42          3HD1      ILE  42 -11.247  -5.574   8.936
  336   2HD1  ILE  42          2HD1      ILE  42 -10.505  -3.982   9.100
  337   3HD1  ILE  42          1HD1      ILE  42 -10.335  -4.883   7.593
  338    H    GLY  43           H        GLY  43  -7.370  -8.209   8.538
  339   1HA   GLY  43          1HA       GLY  43  -9.682  -9.466   7.201
  340   2HA   GLY  43          2HA       GLY  43  -8.105 -10.243   7.215
  341    H    PHE  44           H        PHE  44  -7.055  -7.302   7.043
  342    HA   PHE  44           HA       PHE  44  -7.771  -6.588   4.332
  343   1HB   PHE  44          2HB       PHE  44  -7.312  -4.871   6.073
  344   2HB   PHE  44          1HB       PHE  44  -5.635  -5.400   6.115
  345    HD1  PHE  44           HD1      PHE  44  -6.480  -5.770   2.819
  346    HD2  PHE  44           HD2      PHE  44  -5.805  -2.700   5.690
  347    HE1  PHE  44           HE1      PHE  44  -5.929  -4.199   1.004
  348    HE2  PHE  44           HE2      PHE  44  -5.258  -1.126   3.878
  349    HZ   PHE  44           HZ       PHE  44  -5.323  -1.875   1.537
  350    H    HIS  45           H        HIS  45  -7.059  -8.185   2.970
  351    HA   HIS  45           HA       HIS  45  -4.147  -8.629   2.894
  352   1HB   HIS  45          2HB       HIS  45  -5.433 -10.678   3.391
  353   2HB   HIS  45          1HB       HIS  45  -6.340 -10.463   1.899
  354    HD1  HIS  45           HD1      HIS  45  -4.453 -12.932   2.653
  355    HD2  HIS  45           HD2      HIS  45  -3.528  -9.789   0.097
  356    HE1  HIS  45           HE1      HIS  45  -2.659 -13.810   1.125
  357    HE2  HIS  45           HE2      HIS  45  -2.180 -11.922  -0.468
  358    H    VAL  46           H        VAL  46  -3.102  -7.890   1.172
  359    HA   VAL  46           HA       VAL  46  -4.451  -7.712  -1.397
  360    HB   VAL  46           HB       VAL  46  -4.967  -5.541  -0.947
  361   1HG1  VAL  46          3HG1      VAL  46  -4.178  -5.596   1.359
  362   2HG1  VAL  46          2HG1      VAL  46  -2.529  -5.311   0.805
  363   3HG1  VAL  46          1HG1      VAL  46  -3.764  -4.070   0.575
  364   1HG2  VAL  46          3HG2      VAL  46  -3.371  -5.516  -2.812
  365   2HG2  VAL  46          2HG2      VAL  46  -3.354  -4.015  -1.887
  366   3HG2  VAL  46          1HG2      VAL  46  -2.066  -5.200  -1.669
  367    H    CYS  47           H        CYS  47  -3.087  -9.085  -2.393
  368    HA   CYS  47           HA       CYS  47  -0.253  -9.033  -1.993
  369   1HB   CYS  47          2HB       CYS  47  -1.364 -11.128  -2.530
  370   2HB   CYS  47          1HB       CYS  47  -1.949 -10.460  -4.051
  371    H    ALA  48           H        ALA  48  -0.315  -6.607  -2.524
  372    HA   ALA  48           HA       ALA  48   0.859  -6.282  -5.122
  373   1HB   ALA  48          1HB       ALA  48  -1.574  -6.129  -5.621
  374   2HB   ALA  48          2HB       ALA  48  -0.669  -4.669  -6.023
  375   3HB   ALA  48          3HB       ALA  48  -1.658  -4.721  -4.563
  376    H    ALA  49           H        ALA  49   2.563  -5.049  -4.740
  377    HA   ALA  49           HA       ALA  49   3.289  -3.758  -2.491
  378   1HB   ALA  49          2HB       ALA  49   5.070  -3.367  -3.752
  379   2HB   ALA  49          1HB       ALA  49   4.141  -3.717  -5.209
  380   3HB   ALA  49          3HB       ALA  49   4.195  -2.073  -4.572
  381    H    GLY  50           H        GLY  50   2.462  -2.181  -1.295
  382   1HA   GLY  50          2HA       GLY  50   0.414  -0.765  -1.112
  383   2HA   GLY  50          1HA       GLY  50   0.888  -0.087  -2.660
  384    H    TRP  51           H        TRP  51   1.720   1.860  -2.495
  385    HA   TRP  51           HA       TRP  51   3.969   2.546  -1.040
  386   1HB   TRP  51          2HB       TRP  51   1.755   4.178  -2.246
  387   2HB   TRP  51          1HB       TRP  51   3.072   4.951  -1.369
  388    HD1  TRP  51           HD1      TRP  51   2.193   3.545  -4.710
  389    HE1  TRP  51           HE1      TRP  51   4.254   3.632  -6.265
  390    HE3  TRP  51           HE3      TRP  51   5.771   4.679  -1.245
  391    HZ2  TRP  51           HZ2      TRP  51   7.031   4.121  -6.037
  392    HZ3  TRP  51           HZ3      TRP  51   8.101   4.939  -1.985
  393    HH2  TRP  51           HH2      TRP  51   8.719   4.664  -4.333
  394    H    MET  52           H        MET  52   4.178   4.169   0.673
  395    HA   MET  52           HA       MET  52   1.991   4.500   2.521
  396   1HB   MET  52          2HB       MET  52   3.385   3.544   4.433
  397   2HB   MET  52          1HB       MET  52   2.621   2.386   3.354
  398   1HG   MET  52          2HG       MET  52   5.287   3.112   2.478
  399   2HG   MET  52          1HG       MET  52   5.271   2.437   4.106
  400   1HE   MET  52          2HE       MET  52   4.017   0.205   4.705
  401   2HE   MET  52          1HE       MET  52   2.585   0.448   3.705
  402   3HE   MET  52          3HE       MET  52   3.541  -1.023   3.533
  403    H    ALA  53           H        ALA  53   2.903   5.649   4.588
  404    HA   ALA  53           HA       ALA  53   3.956   8.091   3.828
  405   1HB   ALA  53          3HB       ALA  53   4.549   8.282   6.333
  406   2HB   ALA  53          1HB       ALA  53   3.779   6.702   6.475
  407   3HB   ALA  53          2HB       ALA  53   2.858   8.081   5.875
  408    H    LYS  54           H        LYS  54   6.003   9.100   4.445
  409    HA   LYS  54           HA       LYS  54   8.276   9.219   4.654
  410   1HB   LYS  54          2HB       LYS  54   8.175   6.214   4.946
  411   2HB   LYS  54          1HB       LYS  54   9.597   7.214   5.195
  412   1HG   LYS  54          2HG       LYS  54   8.543   8.308   7.077
  413   2HG   LYS  54          1HG       LYS  54   7.056   7.403   6.798
  414   1HD   LYS  54          2HD       LYS  54   7.851   5.876   8.214
  415   2HD   LYS  54          1HD       LYS  54   9.018   5.448   6.961
  416   1HE   LYS  54          2HE       LYS  54  10.570   5.965   8.485
  417   2HE   LYS  54          1HE       LYS  54  10.181   7.642   8.099
  418   1HZ   LYS  54          2HZ       LYS  54   8.350   6.645  10.001
  419   2HZ   LYS  54          1HZ       LYS  54   9.927   6.373  10.548
  420   3HZ   LYS  54          3HZ       LYS  54   9.429   7.939  10.144
  421    H    GLY  55           H        GLY  55   6.829   6.889   2.482
  422   1HA   GLY  55          1HA       GLY  55   8.916   7.567   0.504
  423   2HA   GLY  55          2HA       GLY  55   7.236   7.234   0.098
  424    H    ARG  56           H        ARG  56   7.254   5.021   2.141
  425    HA   ARG  56           HA       ARG  56   8.968   3.071   0.785
  426   1HB   ARG  56          2HB       ARG  56   7.762   3.282   3.486
  427   2HB   ARG  56          1HB       ARG  56   7.897   1.663   2.813
  428   1HG   ARG  56          2HG       ARG  56  10.197   1.706   2.812
  429   2HG   ARG  56          1HG       ARG  56  10.269   3.469   2.778
  430   1HD   ARG  56          2HD       ARG  56   9.156   3.304   5.116
  431   2HD   ARG  56          1HD       ARG  56   9.737   1.641   5.085
  432    HE   ARG  56           HE       ARG  56  11.841   3.398   4.425
  433   1HH1  ARG  56          2HH1      ARG  56   9.897   2.384   7.131
  434   2HH1  ARG  56          1HH1      ARG  56  11.123   2.722   8.306
  435   1HH2  ARG  56          2HH2      ARG  56  13.463   3.846   5.963
  436   2HH2  ARG  56          1HH2      ARG  56  13.152   3.553   7.641
  437    H    VAL  57           H        VAL  57   8.065   0.939   0.309
  438    HA   VAL  57           HA       VAL  57   5.186   0.784  -0.012
  439    HB   VAL  57           HB       VAL  57   5.499   1.701  -2.094
  440   1HG1  VAL  57          1HG1      VAL  57   8.227   0.645  -1.831
  441   2HG1  VAL  57          3HG1      VAL  57   7.591   0.711  -3.475
  442   3HG1  VAL  57          2HG1      VAL  57   7.655   2.177  -2.495
  443   1HG2  VAL  57          1HG2      VAL  57   5.823  -1.270  -2.331
  444   2HG2  VAL  57          3HG2      VAL  57   4.382  -0.286  -2.592
  445   3HG2  VAL  57          2HG2      VAL  57   5.701  -0.245  -3.762
  446    H    GLY  58           H        GLY  58   4.835  -1.066   1.048
  447   1HA   GLY  58          2HA       GLY  58   5.672  -3.143   1.973
  448   2HA   GLY  58          1HA       GLY  58   6.631  -3.345   0.515
  449    H    TYR  59           H        TYR  59   5.099  -5.418   1.368
  450    HA   TYR  59           HA       TYR  59   2.671  -5.354  -0.275
  451   1HB   TYR  59          2HB       TYR  59   4.088  -7.894  -0.507
  452   2HB   TYR  59          1HB       TYR  59   3.371  -6.886  -1.762
  453    HD1  TYR  59           HD1      TYR  59   4.707  -4.884  -2.597
  454    HD2  TYR  59           HD2      TYR  59   6.417  -7.976  -0.227
  455    HE1  TYR  59           HE1      TYR  59   6.950  -4.212  -3.348
  456    HE2  TYR  59           HE2      TYR  59   8.665  -7.309  -0.969
  457    HH   TYR  59           HH       TYR  59   9.183  -4.428  -2.903
  458    HA   PRO  60           HA       PRO  60   1.776  -7.173   3.872
  459   1HB   PRO  60          2HB       PRO  60  -0.901  -6.142   3.193
  460   2HB   PRO  60          1HB       PRO  60   0.073  -5.868   4.638
  461   1HG   PRO  60          2HG       PRO  60  -0.317  -3.946   2.801
  462   2HG   PRO  60          1HG       PRO  60   1.200  -4.091   3.704
  463   1HD   PRO  60          1HD       PRO  60   0.582  -4.889   0.893
  464   2HD   PRO  60          2HD       PRO  60   2.063  -4.179   1.568
  465    H    ILE  61           H        ILE  61   1.232  -9.256   4.050
  466    HA   ILE  61           HA       ILE  61  -0.900 -10.342   2.360
  467    HB   ILE  61           HB       ILE  61   1.769 -11.722   2.664
  468   1HG1  ILE  61          1HG1      ILE  61   1.686  -9.638   1.170
  469   2HG1  ILE  61          2HG1      ILE  61   2.289 -11.124   0.443
  470   1HG2  ILE  61          2HG2      ILE  61  -0.247 -13.175   2.468
  471   2HG2  ILE  61          1HG2      ILE  61  -0.569 -12.433   0.900
  472   3HG2  ILE  61          3HG2      ILE  61   0.909 -13.364   1.149
  473   1HD1  ILE  61          3HD1      ILE  61  -0.450 -11.151  -0.035
  474   2HD1  ILE  61          2HD1      ILE  61   0.059  -9.485  -0.320
  475   3HD1  ILE  61          1HD1      ILE  61   0.837 -10.807  -1.190
  476    H    VAL  62           H        VAL  62  -2.333 -11.233   3.685
  477    HA   VAL  62           HA       VAL  62  -1.511 -12.167   6.318
  478    HB   VAL  62           HB       VAL  62  -4.332 -12.485   5.497
  479   1HG1  VAL  62          3HG1      VAL  62  -2.777 -12.134   7.883
  480   2HG1  VAL  62          2HG1      VAL  62  -4.054 -10.920   7.809
  481   3HG1  VAL  62          1HG1      VAL  62  -4.459 -12.633   7.710
  482   1HG2  VAL  62          1HG2      VAL  62  -3.035  -9.773   5.710
  483   2HG2  VAL  62          3HG2      VAL  62  -3.915 -10.439   4.334
  484   3HG2  VAL  62          2HG2      VAL  62  -4.773 -10.048   5.824
  485    H    LYS  63           H        LYS  63  -2.120 -13.438   3.227
  486    HA   LYS  63           HA       LYS  63  -1.974 -16.157   4.300
  487   1HB   LYS  63          2HB       LYS  63  -4.386 -15.362   3.673
  488   2HB   LYS  63          1HB       LYS  63  -3.840 -15.602   2.020
  489   1HG   LYS  63          2HG       LYS  63  -3.730 -17.872   2.235
  490   2HG   LYS  63          1HG       LYS  63  -3.426 -17.803   3.972
  491   1HD   LYS  63          2HD       LYS  63  -5.875 -16.780   3.974
  492   2HD   LYS  63          1HD       LYS  63  -5.995 -17.712   2.482
  493   1HE   LYS  63          2HE       LYS  63  -6.491 -19.465   3.761
  494   2HE   LYS  63          1HE       LYS  63  -4.797 -19.465   4.247
  495   1HZ   LYS  63          1HZ       LYS  63  -5.929 -17.593   5.859
  496   2HZ   LYS  63          3HZ       LYS  63  -7.126 -18.786   5.767
  497   3HZ   LYS  63          2HZ       LYS  63  -5.571 -19.187   6.298
  498    HA   PRO  64           HA       PRO  64   1.203 -15.627   1.045
  499   1HB   PRO  64          2HB       PRO  64   2.612 -17.834   1.910
  500   2HB   PRO  64          1HB       PRO  64   2.864 -16.189   2.495
  501   1HG   PRO  64          2HG       PRO  64   1.319 -18.426   3.727
  502   2HG   PRO  64          1HG       PRO  64   2.350 -17.211   4.503
  503   1HD   PRO  64          2HD       PRO  64  -0.339 -17.048   4.549
  504   2HD   PRO  64          1HD       PRO  64   0.691 -15.603   4.477
  505    H    GLY  65           H        GLY  65   0.980 -16.435  -0.939
  506   1HA   GLY  65          2HA       GLY  65  -0.427 -17.785  -2.395
  507   2HA   GLY  65          1HA       GLY  65  -0.287 -19.086  -1.223
  508    HA   PRO  66           HA       PRO  66   2.760 -20.550  -4.161
  509   1HB   PRO  66          2HB       PRO  66   2.322 -19.760  -6.731
  510   2HB   PRO  66          1HB       PRO  66   1.370 -21.011  -5.926
  511   1HG   PRO  66          2HG       PRO  66   0.725 -18.119  -6.355
  512   2HG   PRO  66          1HG       PRO  66  -0.325 -19.537  -6.528
  513   1HD   PRO  66          2HD       PRO  66  -0.396 -17.945  -4.347
  514   2HD   PRO  66          1HD       PRO  66  -0.702 -19.691  -4.255
  515    H    ASN  67           H        ASN  67   2.433 -17.757  -6.272
  516    HA   ASN  67           HA       ASN  67   5.179 -16.977  -5.564
  517   1HB   ASN  67          2HB       ASN  67   4.672 -15.637  -7.877
  518   2HB   ASN  67          1HB       ASN  67   5.413 -17.232  -7.802
  519   1HD2  ASN  67          2HD2      ASN  67   2.150 -15.837  -7.676
  520   2HD2  ASN  67          1HD2      ASN  67   1.444 -16.965  -8.777
  521    H    CYS  68           H        CYS  68   1.890 -15.901  -5.711
  522    HA   CYS  68           HA       CYS  68   2.296 -13.121  -5.660
  523   1HB   CYS  68          2HB       CYS  68   0.108 -14.670  -5.845
  524   2HB   CYS  68          1HB       CYS  68  -0.001 -14.230  -4.144
  525    H    GLY  69           H        GLY  69   1.971 -15.486  -3.047
  526   1HA   GLY  69          1HA       GLY  69   2.027 -15.049  -0.722
  527   2HA   GLY  69          2HA       GLY  69   2.555 -13.407  -1.070
  528    H    PHE  70           H        PHE  70   4.059 -16.092  -2.672
  529    HA   PHE  70           HA       PHE  70   6.160 -16.961  -2.593
  530   1HB   PHE  70          2HB       PHE  70   6.578 -14.181  -1.553
  531   2HB   PHE  70          1HB       PHE  70   7.916 -15.324  -1.547
  532    HD1  PHE  70           HD1      PHE  70   7.634 -16.776  -4.012
  533    HD2  PHE  70           HD2      PHE  70   6.953 -12.650  -3.223
  534    HE1  PHE  70           HE1      PHE  70   8.098 -16.253  -6.371
  535    HE2  PHE  70           HE2      PHE  70   7.414 -12.119  -5.581
  536    HZ   PHE  70           HZ       PHE  70   7.989 -13.921  -7.158
  537    H    GLY  71           H        GLY  71   4.278 -17.330  -0.317
  538   1HA   GLY  71          1HA       GLY  71   5.975 -18.830   1.368
  539   2HA   GLY  71          2HA       GLY  71   4.289 -18.445   1.692
  540    H    LYS  72           H        LYS  72   5.205 -15.504   1.334
  541    HA   LYS  72           HA       LYS  72   6.877 -15.013   3.610
  542   1HB   LYS  72          2HB       LYS  72   5.185 -13.097   1.996
  543   2HB   LYS  72          1HB       LYS  72   6.425 -12.641   3.158
  544   1HG   LYS  72          2HG       LYS  72   7.051 -14.353   0.777
  545   2HG   LYS  72          1HG       LYS  72   7.037 -12.590   0.684
  546   1HD   LYS  72          2HD       LYS  72   8.531 -13.556   2.976
  547   2HD   LYS  72          1HD       LYS  72   9.169 -14.180   1.454
  548   1HE   LYS  72          2HE       LYS  72   9.859 -12.145   0.753
  549   2HE   LYS  72          1HE       LYS  72   8.490 -11.311   1.488
  550   1HZ   LYS  72          3HZ       LYS  72  10.328 -12.454   3.391
  551   2HZ   LYS  72          2HZ       LYS  72  11.016 -11.252   2.421
  552   3HZ   LYS  72          1HZ       LYS  72   9.641 -10.908   3.343
  553    H    THR  73           H        THR  73   6.169 -13.535   5.384
  554    HA   THR  73           HA       THR  73   3.377 -14.036   6.167
  555    HB   THR  73           HB       THR  73   4.646 -13.897   8.569
  556    HG1  THR  73           HG1      THR  73   6.306 -15.773   7.556
  557   1HG2  THR  73          2HG2      THR  73   2.943 -15.538   7.836
  558   2HG2  THR  73          1HG2      THR  73   4.203 -16.423   6.976
  559   3HG2  THR  73          3HG2      THR  73   4.264 -16.284   8.733
  560    H    GLY  74           H        GLY  74   2.279 -12.289   6.828
  561   1HA   GLY  74          2HA       GLY  74   3.493 -10.084   8.175
  562   2HA   GLY  74          1HA       GLY  74   1.836 -10.159   7.589
  563    H    ILE  75           H        ILE  75   3.164  -7.803   7.396
  564    HA   ILE  75           HA       ILE  75   3.109  -7.344   4.568
  565    HB   ILE  75           HB       ILE  75   3.907  -5.424   6.757
  566   1HG1  ILE  75          1HG1      ILE  75   1.226  -6.088   5.538
  567   2HG1  ILE  75          2HG1      ILE  75   1.689  -6.168   7.233
  568   1HG2  ILE  75          3HG2      ILE  75   3.983  -5.215   3.933
  569   2HG2  ILE  75          2HG2      ILE  75   2.682  -4.177   4.517
  570   3HG2  ILE  75          1HG2      ILE  75   4.321  -3.972   5.137
  571   1HD1  ILE  75          3HD1      ILE  75   2.104  -3.515   6.361
  572   2HD1  ILE  75          2HD1      ILE  75   0.507  -4.024   5.815
  573   3HD1  ILE  75          1HD1      ILE  75   0.927  -4.122   7.525
  574    H    ILE  76           H        ILE  76   4.747  -7.427   3.197
  575    HA   ILE  76           HA       ILE  76   7.458  -7.713   4.239
  576    HB   ILE  76           HB       ILE  76   6.590  -7.956   1.363
  577   1HG1  ILE  76          2HG1      ILE  76   5.281  -9.607   2.388
  578   2HG1  ILE  76          1HG1      ILE  76   6.739 -10.481   1.933
  579   1HG2  ILE  76          3HG2      ILE  76   9.099  -7.919   2.561
  580   2HG2  ILE  76          2HG2      ILE  76   8.779  -9.621   2.234
  581   3HG2  ILE  76          1HG2      ILE  76   8.712  -8.444   0.923
  582   1HD1  ILE  76          3HD1      ILE  76   7.569 -10.160   4.254
  583   2HD1  ILE  76          2HD1      ILE  76   5.996  -9.474   4.663
  584   3HD1  ILE  76          1HD1      ILE  76   6.116 -11.150   4.127
  585    H    ASP  77           H        ASP  77   7.671  -5.481   4.862
  586    HA   ASP  77           HA       ASP  77   8.015  -3.633   2.597
  587   1HB   ASP  77          2HB       ASP  77   6.422  -3.151   4.632
  588   2HB   ASP  77          1HB       ASP  77   7.920  -2.706   5.444
  589    H    TYR  78           H        TYR  78  10.025  -3.194   2.015
  590    HA   TYR  78           HA       TYR  78  12.235  -3.949   3.733
  591   1HB   TYR  78          2HB       TYR  78  12.216  -2.803   0.932
  592   2HB   TYR  78          1HB       TYR  78  13.640  -3.402   1.778
  593    HD1  TYR  78           HD1      TYR  78  10.182  -4.654   1.069
  594    HD2  TYR  78           HD2      TYR  78  14.357  -5.473   1.082
  595    HE1  TYR  78           HE1      TYR  78   9.734  -6.915   0.212
  596    HE2  TYR  78           HE2      TYR  78  13.922  -7.735   0.222
  597    HH   TYR  78           HH       TYR  78  11.464  -8.696  -1.270
  598    H    GLY  79           H        GLY  79  11.872  -1.055   1.692
  599   1HA   GLY  79          2HA       GLY  79  13.491   0.537   3.396
  600   2HA   GLY  79          1HA       GLY  79  11.786   0.874   3.689
  601    H    ILE  80           H        ILE  80  12.625   3.044   2.920
  602    HA   ILE  80           HA       ILE  80  11.591   3.623   0.396
  603    HB   ILE  80           HB       ILE  80  13.610   5.248   1.946
  604   1HG1  ILE  80          1HG1      ILE  80  10.613   5.585   1.950
  605   2HG1  ILE  80          2HG1      ILE  80  11.441   4.571   3.127
  606   1HG2  ILE  80          1HG2      ILE  80  12.323   5.649  -0.595
  607   2HG2  ILE  80          3HG2      ILE  80  11.861   6.914   0.543
  608   3HG2  ILE  80          2HG2      ILE  80  13.565   6.617   0.198
  609   1HD1  ILE  80          1HD1      ILE  80  12.427   7.338   2.808
  610   2HD1  ILE  80          3HD1      ILE  80  10.860   7.114   3.584
  611   3HD1  ILE  80          2HD1      ILE  80  12.294   6.335   4.252
  612    H    ARG  81           H        ARG  81  12.365   2.805  -1.444
  613    HA   ARG  81           HA       ARG  81  15.213   2.385  -1.804
  614   1HB   ARG  81          2HB       ARG  81  12.917   1.863  -3.701
  615   2HB   ARG  81          1HB       ARG  81  14.577   1.329  -3.921
  616   1HG   ARG  81          2HG       ARG  81  13.189   0.523  -1.428
  617   2HG   ARG  81          1HG       ARG  81  12.708  -0.257  -2.936
  618   1HD   ARG  81          2HD       ARG  81  15.316  -0.504  -3.237
  619   2HD   ARG  81          1HD       ARG  81  15.301  -0.366  -1.480
  620    HE   ARG  81           HE       ARG  81  13.880  -2.333  -1.423
  621   1HH1  ARG  81          1HH1      ARG  81  15.503  -1.647  -4.427
  622   2HH1  ARG  81          2HH1      ARG  81  15.408  -3.278  -5.001
  623   1HH2  ARG  81          1HH2      ARG  81  13.748  -4.483  -2.169
  624   2HH2  ARG  81          2HH2      ARG  81  14.409  -4.891  -3.718
  625    H    LEU  82           H        LEU  82  13.721   5.099  -1.766
  626    HA   LEU  82           HA       LEU  82  13.860   7.119  -2.806
  627   1HB   LEU  82          2HB       LEU  82  16.376   6.095  -2.634
  628   2HB   LEU  82          1HB       LEU  82  16.261   6.407  -4.352
  629    HG   LEU  82           HG       LEU  82  17.296   8.259  -3.057
  630   1HD1  LEU  82          3HD1      LEU  82  16.180   8.641  -5.222
  631   2HD1  LEU  82          2HD1      LEU  82  14.681   8.992  -4.363
  632   3HD1  LEU  82          1HD1      LEU  82  16.083  10.038  -4.151
  633   1HD2  LEU  82          2HD2      LEU  82  14.539   8.474  -1.856
  634   2HD2  LEU  82          1HD2      LEU  82  16.041   8.105  -1.007
  635   3HD2  LEU  82          3HD2      LEU  82  15.799   9.700  -1.717
  636    H    ASN  83           H        ASN  83  12.472   4.916  -4.188
  637    HA   ASN  83           HA       ASN  83  12.670   5.948  -6.940
  638   1HB   ASN  83          2HB       ASN  83  12.608   3.191  -5.918
  639   2HB   ASN  83          1HB       ASN  83  11.492   3.498  -7.245
  640   1HD2  ASN  83          2HD2      ASN  83  14.198   5.530  -7.220
  641   2HD2  ASN  83          1HD2      ASN  83  15.119   4.722  -8.437
  642    H    ARG  84           H        ARG  84  11.097   7.480  -5.685
  643    HA   ARG  84           HA       ARG  84   8.458   6.551  -5.190
  644   1HB   ARG  84          2HB       ARG  84   9.700   9.269  -5.498
  645   2HB   ARG  84          1HB       ARG  84   7.960   9.086  -5.351
  646   1HG   ARG  84          2HG       ARG  84   8.499   9.409  -3.168
  647   2HG   ARG  84          1HG       ARG  84   8.628   7.651  -3.247
  648   1HD   ARG  84          2HD       ARG  84  10.875   7.669  -3.009
  649   2HD   ARG  84          1HD       ARG  84  11.067   9.155  -3.936
  650    HE   ARG  84           HE       ARG  84   9.893   9.437  -1.298
  651   1HH1  ARG  84          1HH1      ARG  84  12.757   9.588  -3.274
  652   2HH1  ARG  84          2HH1      ARG  84  13.628  10.588  -2.160
  653   1HH2  ARG  84          1HH2      ARG  84  11.034  10.754   0.176
  654   2HH2  ARG  84          2HH2      ARG  84  12.651  11.250  -0.200
  655    H    SER  85           H        SER  85  10.088   6.755  -8.009
  656    HA   SER  85           HA       SER  85   7.803   7.647  -9.610
  657   1HB   SER  85          2HB       SER  85   9.323   8.406 -11.080
  658   2HB   SER  85          1HB       SER  85  10.567   7.998  -9.898
  659    HG   SER  85           HG       SER  85   9.920   6.769 -12.255
  660    H    GLU  86           H        GLU  86   8.713   4.890  -8.204
  661    HA   GLU  86           HA       GLU  86   8.669   2.975 -10.275
  662   1HB   GLU  86          2HB       GLU  86   8.302   2.920  -7.317
  663   2HB   GLU  86          1HB       GLU  86   7.808   1.507  -8.240
  664   1HG   GLU  86          2HG       GLU  86  10.475   2.559  -8.882
  665   2HG   GLU  86          1HG       GLU  86  10.287   1.897  -7.259
  666    H    ARG  87           H        ARG  87   6.761   1.128  -9.721
  667    HA   ARG  87           HA       ARG  87   4.199   2.529  -9.981
  668   1HB   ARG  87          2HB       ARG  87   3.614   0.805 -11.770
  669   2HB   ARG  87          1HB       ARG  87   4.657   2.141 -12.234
  670   1HG   ARG  87          2HG       ARG  87   6.084   0.653 -13.034
  671   2HG   ARG  87          1HG       ARG  87   6.390   0.139 -11.375
  672   1HD   ARG  87          2HD       ARG  87   5.677  -1.868 -12.061
  673   2HD   ARG  87          1HD       ARG  87   4.062  -1.166 -11.951
  674    HE   ARG  87           HE       ARG  87   4.166  -0.748 -14.330
  675   1HH1  ARG  87          1HH1      ARG  87   6.611  -2.855 -13.023
  676   2HH1  ARG  87          2HH1      ARG  87   6.954  -3.614 -14.543
  677   1HH2  ARG  87          1HH2      ARG  87   4.610  -1.738 -16.336
  678   2HH2  ARG  87          2HH2      ARG  87   5.818  -2.977 -16.427
  679    H    TRP  88           H        TRP  88   2.991   1.846  -8.399
  680    HA   TRP  88           HA       TRP  88   2.437  -0.966  -8.041
  681   1HB   TRP  88          2HB       TRP  88   3.196   0.486  -5.532
  682   2HB   TRP  88          1HB       TRP  88   3.151  -1.244  -5.846
  683    HD1  TRP  88           HD1      TRP  88   5.460   1.713  -5.854
  684    HE1  TRP  88           HE1      TRP  88   7.833   0.950  -6.498
  685    HE3  TRP  88           HE3      TRP  88   4.396  -3.042  -7.406
  686    HZ2  TRP  88           HZ2      TRP  88   9.088  -1.360  -7.526
  687    HZ3  TRP  88           HZ3      TRP  88   6.240  -4.463  -8.203
  688    HH2  TRP  88           HH2      TRP  88   8.537  -3.638  -8.261
  689    H    ASP  89           H        ASP  89   0.898  -1.035  -5.902
  690    HA   ASP  89           HA       ASP  89  -1.321   0.642  -6.609
  691   1HB   ASP  89          2HB       ASP  89  -1.279  -1.068  -4.149
  692   2HB   ASP  89          1HB       ASP  89  -2.607  -0.735  -5.255
  693    H    ALA  90           H        ALA  90  -2.580   1.307  -4.341
  694    HA   ALA  90           HA       ALA  90  -0.686   2.838  -2.709
  695   1HB   ALA  90          2HB       ALA  90  -1.391   4.336  -4.498
  696   2HB   ALA  90          3HB       ALA  90  -2.020   4.873  -2.940
  697   3HB   ALA  90          1HB       ALA  90  -3.082   4.051  -4.084
  698    H    TYR  91           H        TYR  91  -1.230   2.904  -0.591
  699    HA   TYR  91           HA       TYR  91  -3.757   1.656   0.194
  700   1HB   TYR  91          2HB       TYR  91  -1.140   2.125   1.599
  701   2HB   TYR  91          1HB       TYR  91  -2.593   1.725   2.501
  702    HD1  TYR  91           HD1      TYR  91  -3.888  -0.422   1.565
  703    HD2  TYR  91           HD2      TYR  91   0.244   0.405   0.964
  704    HE1  TYR  91           HE1      TYR  91  -3.477  -2.803   1.133
  705    HE2  TYR  91           HE2      TYR  91   0.662  -1.978   0.534
  706    HH   TYR  91           HH       TYR  91  -1.806  -4.196  -0.062
  707    H    CYS  92           H        CYS  92  -5.401   2.954   0.689
  708    HA   CYS  92           HA       CYS  92  -4.864   5.727   1.424
  709   1HB   CYS  92          2HB       CYS  92  -6.629   4.920  -0.309
  710   2HB   CYS  92          1HB       CYS  92  -7.611   4.555   1.106
  711    H    TYR  93           H        TYR  93  -5.864   6.722   3.246
  712    HA   TYR  93           HA       TYR  93  -6.942   4.997   5.320
  713   1HB   TYR  93          2HB       TYR  93  -4.500   4.897   5.666
  714   2HB   TYR  93          1HB       TYR  93  -4.450   6.655   5.772
  715    HD1  TYR  93           HD1      TYR  93  -6.031   7.698   7.605
  716    HD2  TYR  93           HD2      TYR  93  -4.653   3.675   7.616
  717    HE1  TYR  93           HE1      TYR  93  -6.453   7.573  10.023
  718    HE2  TYR  93           HE2      TYR  93  -5.072   3.533  10.038
  719    HH   TYR  93           HH       TYR  93  -5.447   4.806  11.921
  720    H    ASN  94           H        ASN  94  -8.730   6.023   5.915
  721    HA   ASN  94           HA       ASN  94  -8.599   8.929   6.363
  722   1HB   ASN  94          2HB       ASN  94 -11.020   7.491   5.275
  723   2HB   ASN  94          1HB       ASN  94 -10.802   9.228   5.455
  724   1HD2  ASN  94          2HD2      ASN  94 -11.590   8.766   3.142
  725   2HD2  ASN  94          1HD2      ASN  94 -10.345   8.695   1.946
  726    HA   PRO  95           HA       PRO  95 -10.541   8.180  10.252
  727   1HB   PRO  95          2HB       PRO  95 -12.311  10.215  10.477
  728   2HB   PRO  95          1HB       PRO  95 -10.562  10.459  10.585
  729   1HG   PRO  95          2HG       PRO  95 -12.419  10.939   8.291
  730   2HG   PRO  95          1HG       PRO  95 -11.045  11.914   8.845
  731   1HD   PRO  95          2HD       PRO  95 -10.930  10.208   6.716
  732   2HD   PRO  95          1HD       PRO  95  -9.525  10.632   7.711
  733    H    HIS  96           H        HIS  96 -13.032   9.270   7.957
  734    HA   HIS  96           HA       HIS  96 -14.879   7.277   9.061
  735   1HB   HIS  96          2HB       HIS  96 -15.285   9.792   7.453
  736   2HB   HIS  96          1HB       HIS  96 -16.563   8.590   7.618
  737    HD1  HIS  96           HD1      HIS  96 -17.942   8.678   9.704
  738    HD2  HIS  96           HD2      HIS  96 -14.489  10.971   9.985
  739    HE1  HIS  96           HE1      HIS  96 -18.156   9.954  11.860
  740    HE2  HIS  96           HE2      HIS  96 -16.100  11.406  11.960
  741    H    ALA  97           H        ALA  97 -12.644   6.708   7.178
  742    HA   ALA  97           HA       ALA  97 -13.770   6.171   4.610
  743   1HB   ALA  97          1HB       ALA  97 -11.636   4.550   4.651
  744   2HB   ALA  97          2HB       ALA  97 -11.205   5.636   5.972
  745   3HB   ALA  97          3HB       ALA  97 -11.524   6.287   4.365
  746    H    LYS  98           H        LYS  98 -15.618   5.146   6.255
  747    HA   LYS  98           HA       LYS  98 -15.199   2.365   6.816
  748   1HB   LYS  98          2HB       LYS  98 -17.165   4.354   7.431
  749   2HB   LYS  98          1HB       LYS  98 -17.973   2.949   6.747
  750   1HG   LYS  98          2HG       LYS  98 -15.943   2.586   8.904
  751   2HG   LYS  98          1HG       LYS  98 -17.580   3.106   9.309
  752   1HD   LYS  98          2HD       LYS  98 -18.263   0.995   9.190
  753   2HD   LYS  98          1HD       LYS  98 -17.807   0.955   7.486
  754   1HE   LYS  98          2HE       LYS  98 -16.552  -0.779   8.323
  755   2HE   LYS  98          1HE       LYS  98 -15.407   0.558   8.436
  756   1HZ   LYS  98          2HZ       LYS  98 -16.283   0.828  10.791
  757   2HZ   LYS  98          1HZ       LYS  98 -16.968  -0.707  10.604
  758   3HZ   LYS  98          3HZ       LYS  98 -15.291  -0.509  10.490

  No H/Q in entry =         758
  Start of MODEL   13
    1    H1   GLY   1          1H        GLY   1 -12.517   3.139   5.768
    2    H2   GLY   1          3H        GLY   1 -12.805   2.243   7.174
    3    H3   GLY   1          2H        GLY   1 -13.152   3.897   7.141
    4   1HA   GLY   1          2HA       GLY   1 -10.884   2.823   8.119
    5   2HA   GLY   1          1HA       GLY   1 -11.072   4.493   7.608
    6    H    VAL   2           H        VAL   2  -8.931   2.197   7.461
    7    HA   VAL   2           HA       VAL   2  -7.756   3.161   5.017
    8    HB   VAL   2           HB       VAL   2  -6.188   2.819   6.725
    9   1HG1  VAL   2          2HG1      VAL   2  -7.940   0.756   7.544
   10   2HG1  VAL   2          1HG1      VAL   2  -6.338   0.045   7.336
   11   3HG1  VAL   2          3HG1      VAL   2  -6.556   1.427   8.410
   12   1HG2  VAL   2          1HG2      VAL   2  -5.763   1.718   4.374
   13   2HG2  VAL   2          3HG2      VAL   2  -4.606   1.536   5.692
   14   3HG2  VAL   2          2HG2      VAL   2  -5.739   0.234   5.327
   15    H    TYR   3           H        TYR   3  -7.206   1.948   3.193
   16    HA   TYR   3           HA       TYR   3  -7.956  -0.810   2.958
   17   1HB   TYR   3          2HB       TYR   3  -9.618  -0.472   1.128
   18   2HB   TYR   3          1HB       TYR   3 -10.175   0.063   2.707
   19    HD1  TYR   3           HD1      TYR   3 -10.173   2.531   3.226
   20    HD2  TYR   3           HD2      TYR   3  -9.508   1.017  -0.694
   21    HE1  TYR   3           HE1      TYR   3 -10.707   4.740   2.289
   22    HE2  TYR   3           HE2      TYR   3 -10.040   3.223  -1.643
   23    HH   TYR   3           HH       TYR   3 -11.534   5.303  -0.740
   24    H    HIS   4           H        HIS   4  -7.830  -1.513   0.569
   25    HA   HIS   4           HA       HIS   4  -5.336  -0.418  -0.477
   26   1HB   HIS   4          2HB       HIS   4  -5.719  -2.905  -0.083
   27   2HB   HIS   4          1HB       HIS   4  -6.802  -2.862  -1.470
   28    HD1  HIS   4           HD1      HIS   4  -3.507  -3.773  -0.726
   29    HD2  HIS   4           HD2      HIS   4  -5.220  -1.567  -3.785
   30    HE1  HIS   4           HE1      HIS   4  -1.840  -3.829  -2.605
   31    HE2  HIS   4           HE2      HIS   4  -2.947  -2.569  -4.485
   32    H    ARG   5           H        ARG   5  -5.054   0.165  -2.651
   33    HA   ARG   5           HA       ARG   5  -7.372   0.389  -4.377
   34   1HB   ARG   5          2HB       ARG   5  -7.425   2.421  -2.924
   35   2HB   ARG   5          1HB       ARG   5  -5.845   2.861  -3.553
   36   1HG   ARG   5          2HG       ARG   5  -7.070   4.084  -4.988
   37   2HG   ARG   5          1HG       ARG   5  -7.182   2.554  -5.861
   38   1HD   ARG   5          2HD       ARG   5  -9.391   3.194  -5.774
   39   2HD   ARG   5          1HD       ARG   5  -9.266   2.161  -4.351
   40    HE   ARG   5           HE       ARG   5  -9.410   4.053  -2.984
   41   1HH1  ARG   5          1HH1      ARG   5  -9.478   4.882  -6.366
   42   2HH1  ARG   5          2HH1      ARG   5 -10.066   6.488  -6.094
   43   1HH2  ARG   5          2HH2      ARG   5 -10.185   6.167  -2.615
   44   2HH2  ARG   5          1HH2      ARG   5 -10.468   7.218  -3.961
   45    H    GLU   6           H        GLU   6  -6.826   0.951  -6.561
   46    HA   GLU   6           HA       GLU   6  -3.968   0.558  -7.165
   47   1HB   GLU   6          2HB       GLU   6  -4.542  -0.653  -9.116
   48   2HB   GLU   6          1HB       GLU   6  -5.553  -1.301  -7.833
   49   1HG   GLU   6          2HG       GLU   6  -6.472   0.777  -9.800
   50   2HG   GLU   6          1HG       GLU   6  -6.713  -0.956 -10.010
   51    H    ALA   7           H        ALA   7  -3.946   1.141  -9.818
   52    HA   ALA   7           HA       ALA   7  -4.293   4.033  -9.765
   53   1HB   ALA   7          1HB       ALA   7  -2.663   4.166 -11.362
   54   2HB   ALA   7          3HB       ALA   7  -2.212   2.642 -10.598
   55   3HB   ALA   7          2HB       ALA   7  -3.117   2.636 -12.111
   56    H    ARG   8           H        ARG   8  -5.335   5.201 -11.438
   57    HA   ARG   8           HA       ARG   8  -7.853   4.314 -12.159
   58   1HB   ARG   8          2HB       ARG   8  -6.107   6.411 -13.454
   59   2HB   ARG   8          1HB       ARG   8  -7.802   6.169 -13.858
   60   1HG   ARG   8          2HG       ARG   8  -7.150   6.554 -11.000
   61   2HG   ARG   8          1HG       ARG   8  -6.978   7.952 -12.063
   62   1HD   ARG   8          2HD       ARG   8  -9.168   8.276 -11.951
   63   2HD   ARG   8          1HD       ARG   8  -9.417   6.718 -12.737
   64    HE   ARG   8           HE       ARG   8 -10.079   5.861 -10.728
   65   1HH1  ARG   8          1HH1      ARG   8  -8.316   8.811 -10.163
   66   2HH1  ARG   8          2HH1      ARG   8  -8.657   8.841  -8.464
   67   1HH2  ARG   8          1HH2      ARG   8 -10.533   5.892  -8.493
   68   2HH2  ARG   8          2HH2      ARG   8  -9.916   7.182  -7.515
   69    H    SER   9           H        SER   9  -4.804   3.690 -13.648
   70    HA   SER   9           HA       SER   9  -6.033   2.700 -16.099
   71   1HB   SER   9          2HB       SER   9  -3.874   4.057 -16.071
   72   2HB   SER   9          1HB       SER   9  -3.099   2.623 -15.399
   73    HG   SER   9           HG       SER   9  -3.565   3.151 -17.930
   74    H    GLY  10           H        GLY  10  -4.019   1.501 -13.436
   75   1HA   GLY  10          2HA       GLY  10  -3.994  -1.181 -14.287
   76   2HA   GLY  10          1HA       GLY  10  -5.321  -0.939 -13.164
   77    H    LYS  11           H        LYS  11  -3.761  -2.683 -12.193
   78    HA   LYS  11           HA       LYS  11  -2.610  -1.540  -9.881
   79   1HB   LYS  11          2HB       LYS  11  -3.513  -3.752  -9.749
   80   2HB   LYS  11          1HB       LYS  11  -2.472  -4.320 -11.048
   81   1HG   LYS  11          2HG       LYS  11  -0.719  -3.342  -9.122
   82   2HG   LYS  11          1HG       LYS  11  -1.973  -4.185  -8.211
   83   1HD   LYS  11          2HD       LYS  11  -1.531  -5.939 -10.233
   84   2HD   LYS  11          1HD       LYS  11   0.078  -5.244 -10.030
   85   1HE   LYS  11          2HE       LYS  11   0.167  -6.977  -8.528
   86   2HE   LYS  11          1HE       LYS  11  -0.393  -5.666  -7.490
   87   1HZ   LYS  11          2HZ       LYS  11  -2.681  -6.461  -7.869
   88   2HZ   LYS  11          1HZ       LYS  11  -2.068  -7.777  -8.735
   89   3HZ   LYS  11          3HZ       LYS  11  -1.710  -7.606  -7.090
   90    H    TYR  12           H        TYR  12  -0.465  -1.363  -9.228
   91    HA   TYR  12           HA       TYR  12   1.755  -0.937  -9.433
   92   1HB   TYR  12          2HB       TYR  12   1.404  -3.022 -11.573
   93   2HB   TYR  12          1HB       TYR  12   2.964  -2.253 -11.297
   94    HD1  TYR  12           HD1      TYR  12   1.085  -2.507  -8.293
   95    HD2  TYR  12           HD2      TYR  12   3.600  -4.730 -10.909
   96    HE1  TYR  12           HE1      TYR  12   1.552  -4.098  -6.483
   97    HE2  TYR  12           HE2      TYR  12   4.073  -6.330  -9.102
   98    HH   TYR  12           HH       TYR  12   3.891  -6.710  -6.883
   99    H    LYS  13           H        LYS  13   0.556   1.145 -10.183
  100    HA   LYS  13           HA       LYS  13   2.056   2.158 -12.432
  101   1HB   LYS  13          2HB       LYS  13  -0.912   1.784 -12.524
  102   2HB   LYS  13          1HB       LYS  13  -0.199   3.179 -13.321
  103   1HG   LYS  13          2HG       LYS  13   1.375   1.359 -14.379
  104   2HG   LYS  13          1HG       LYS  13   0.024   0.293 -13.987
  105   1HD   LYS  13          2HD       LYS  13  -1.178   2.511 -15.135
  106   2HD   LYS  13          1HD       LYS  13   0.279   2.264 -16.100
  107   1HE   LYS  13          2HE       LYS  13  -1.225  -0.179 -15.472
  108   2HE   LYS  13          1HE       LYS  13  -2.074   0.972 -16.500
  109   1HZ   LYS  13          3HZ       LYS  13   0.704   0.182 -17.099
  110   2HZ   LYS  13          2HZ       LYS  13  -0.593  -0.781 -17.600
  111   3HZ   LYS  13          1HZ       LYS  13  -0.467   0.817 -18.142
  112    H    LEU  14           H        LEU  14   1.059   2.455  -9.419
  113    HA   LEU  14           HA       LEU  14   0.707   5.378  -9.506
  114   1HB   LEU  14          2HB       LEU  14  -0.232   3.240  -7.661
  115   2HB   LEU  14          1HB       LEU  14   0.087   4.825  -6.988
  116    HG   LEU  14           HG       LEU  14  -1.676   4.581  -9.391
  117   1HD1  LEU  14          3HD1      LEU  14  -2.253   3.008  -7.318
  118   2HD1  LEU  14          2HD1      LEU  14  -2.955   4.514  -6.725
  119   3HD1  LEU  14          1HD1      LEU  14  -3.492   3.835  -8.262
  120   1HD2  LEU  14          1HD2      LEU  14  -0.831   6.767  -8.388
  121   2HD2  LEU  14          3HD2      LEU  14  -2.567   6.620  -8.663
  122   3HD2  LEU  14          2HD2      LEU  14  -1.912   6.426  -7.036
  123    H    THR  15           H        THR  15   2.072   6.703  -8.461
  124    HA   THR  15           HA       THR  15   4.455   5.473  -7.247
  125    HB   THR  15           HB       THR  15   5.746   7.268  -7.964
  126    HG1  THR  15           HG1      THR  15   4.899   9.161  -7.534
  127   1HG2  THR  15          1HG2      THR  15   4.272   5.964  -9.847
  128   2HG2  THR  15          3HG2      THR  15   3.918   7.648 -10.231
  129   3HG2  THR  15          2HG2      THR  15   5.588   7.083 -10.204
  130    H    TYR  16           H        TYR  16   5.251   6.293  -5.273
  131    HA   TYR  16           HA       TYR  16   3.612   6.742  -3.218
  132   1HB   TYR  16          2HB       TYR  16   5.985   6.557  -2.850
  133   2HB   TYR  16          1HB       TYR  16   6.279   8.091  -3.661
  134    HD1  TYR  16           HD1      TYR  16   4.594   6.610  -0.688
  135    HD2  TYR  16           HD2      TYR  16   6.330  10.079  -2.444
  136    HE1  TYR  16           HE1      TYR  16   4.412   7.788   1.465
  137    HE2  TYR  16           HE2      TYR  16   6.153  11.263  -0.295
  138    HH   TYR  16           HH       TYR  16   4.724  11.095   1.788
  139    H    ALA  17           H        ALA  17   4.669   9.233  -5.478
  140    HA   ALA  17           HA       ALA  17   3.368  11.375  -4.109
  141   1HB   ALA  17          1HB       ALA  17   4.331  11.251  -6.965
  142   2HB   ALA  17          3HB       ALA  17   3.919  12.708  -6.061
  143   3HB   ALA  17          2HB       ALA  17   5.305  11.731  -5.574
  144    H    GLU  18           H        GLU  18   2.523   9.333  -6.898
  145    HA   GLU  18           HA       GLU  18   0.099  10.712  -7.473
  146   1HB   GLU  18          2HB       GLU  18   1.033   7.931  -8.209
  147   2HB   GLU  18          1HB       GLU  18  -0.393   8.713  -8.868
  148   1HG   GLU  18          2HG       GLU  18   0.992  10.454  -9.849
  149   2HG   GLU  18          1HG       GLU  18   2.431   9.705  -9.160
  150    H    ALA  19           H        ALA  19   0.912   7.732  -5.764
  151    HA   ALA  19           HA       ALA  19  -1.649   6.879  -5.099
  152   1HB   ALA  19          1HB       ALA  19  -0.267   5.226  -4.491
  153   2HB   ALA  19          2HB       ALA  19  -0.120   6.093  -2.962
  154   3HB   ALA  19          3HB       ALA  19   1.083   6.332  -4.231
  155    H    LYS  20           H        LYS  20   0.479   9.215  -3.549
  156    HA   LYS  20           HA       LYS  20  -1.167   9.572  -1.234
  157   1HB   LYS  20          2HB       LYS  20   1.370  10.033  -1.532
  158   2HB   LYS  20          1HB       LYS  20   0.851  11.567  -2.214
  159   1HG   LYS  20          2HG       LYS  20  -0.506  11.826  -0.041
  160   2HG   LYS  20          1HG       LYS  20   0.541  10.549   0.581
  161   1HD   LYS  20          2HD       LYS  20   2.352  11.897   0.670
  162   2HD   LYS  20          1HD       LYS  20   1.909  12.762  -0.803
  163   1HE   LYS  20          2HE       LYS  20   0.999  14.423   0.362
  164   2HE   LYS  20          1HE       LYS  20   0.020  13.299   1.303
  165   1HZ   LYS  20          2HZ       LYS  20   2.507  12.981   2.334
  166   2HZ   LYS  20          1HZ       LYS  20   2.453  14.642   2.016
  167   3HZ   LYS  20          3HZ       LYS  20   1.281  13.930   3.008
  168    H    ALA  21           H        ALA  21  -0.893  11.081  -4.377
  169    HA   ALA  21           HA       ALA  21  -2.378  13.419  -3.794
  170   1HB   ALA  21          1HB       ALA  21  -2.666  13.534  -6.291
  171   2HB   ALA  21          2HB       ALA  21  -1.787  12.008  -6.382
  172   3HB   ALA  21          3HB       ALA  21  -1.000  13.440  -5.721
  173    H    VAL  22           H        VAL  22  -3.302  10.295  -5.181
  174    HA   VAL  22           HA       VAL  22  -6.017  10.952  -5.608
  175    HB   VAL  22           HB       VAL  22  -4.485   8.391  -5.493
  176   1HG1  VAL  22          1HG1      VAL  22  -7.492   8.587  -5.616
  177   2HG1  VAL  22          3HG1      VAL  22  -6.551   7.129  -5.929
  178   3HG1  VAL  22          2HG1      VAL  22  -6.540   7.858  -4.323
  179   1HG2  VAL  22          1HG2      VAL  22  -6.181   9.756  -7.577
  180   2HG2  VAL  22          3HG2      VAL  22  -4.423   9.616  -7.556
  181   3HG2  VAL  22          2HG2      VAL  22  -5.420   8.179  -7.786
  182    H    CYS  23           H        CYS  23  -4.427   9.127  -3.009
  183    HA   CYS  23           HA       CYS  23  -6.766   8.671  -1.511
  184   1HB   CYS  23          2HB       CYS  23  -3.839   8.657  -0.814
  185   2HB   CYS  23          1HB       CYS  23  -5.075   8.340   0.394
  186    H    GLU  24           H        GLU  24  -4.276  11.191  -1.297
  187    HA   GLU  24           HA       GLU  24  -5.605  12.530   0.877
  188   1HB   GLU  24          2HB       GLU  24  -3.092  12.540   0.381
  189   2HB   GLU  24          1HB       GLU  24  -3.460  13.707  -0.881
  190   1HG   GLU  24          2HG       GLU  24  -4.042  15.352   0.617
  191   2HG   GLU  24          1HG       GLU  24  -4.416  14.200   1.898
  192    H    PHE  25           H        PHE  25  -6.193  12.309  -2.378
  193    HA   PHE  25           HA       PHE  25  -6.830  14.912  -3.160
  194   1HB   PHE  25          2HB       PHE  25  -6.906  12.458  -4.357
  195   2HB   PHE  25          1HB       PHE  25  -8.621  12.810  -4.180
  196    HD1  PHE  25           HD1      PHE  25  -5.453  14.267  -5.460
  197    HD2  PHE  25           HD2      PHE  25  -9.700  14.161  -5.718
  198    HE1  PHE  25           HE1      PHE  25  -5.362  15.694  -7.462
  199    HE2  PHE  25           HE2      PHE  25  -9.617  15.587  -7.723
  200    HZ   PHE  25           HZ       PHE  25  -7.446  16.356  -8.597
  201    H    GLU  26           H        GLU  26  -8.909  12.400  -1.767
  202    HA   GLU  26           HA       GLU  26 -10.994  14.404  -1.307
  203   1HB   GLU  26          2HB       GLU  26 -11.168  11.421  -0.887
  204   2HB   GLU  26          1HB       GLU  26 -12.500  12.567  -0.958
  205   1HG   GLU  26          2HG       GLU  26 -11.982  13.019  -3.303
  206   2HG   GLU  26          1HG       GLU  26 -10.661  11.854  -3.229
  207    H    GLY  27           H        GLY  27  -9.155  15.101   0.312
  208   1HA   GLY  27          1HA       GLY  27 -10.163  15.044   2.856
  209   2HA   GLY  27          2HA       GLY  27  -8.474  15.362   2.493
  210    H    GLY  28           H        GLY  28  -7.965  12.726   1.387
  211   1HA   GLY  28          2HA       GLY  28  -8.102  10.424   2.214
  212   2HA   GLY  28          1HA       GLY  28  -8.208  11.092   3.839
  213    H    HIS  29           H        HIS  29  -6.340   9.210   3.494
  214    HA   HIS  29           HA       HIS  29  -3.810  10.438   2.780
  215   1HB   HIS  29          2HB       HIS  29  -3.402   9.297   5.366
  216   2HB   HIS  29          1HB       HIS  29  -3.133  10.957   4.845
  217    HD1  HIS  29           HD1      HIS  29  -5.213  12.608   5.134
  218    HD2  HIS  29           HD2      HIS  29  -5.532   8.937   7.055
  219    HE1  HIS  29           HE1      HIS  29  -7.075  12.881   6.801
  220    HE2  HIS  29           HE2      HIS  29  -7.316  10.618   7.880
  221    H    LEU  30           H        LEU  30  -2.380   8.949   2.051
  222    HA   LEU  30           HA       LEU  30  -3.269   6.287   1.684
  223   1HB   LEU  30          2HB       LEU  30  -1.690   6.245   0.137
  224   2HB   LEU  30          1HB       LEU  30  -1.309   7.900   0.566
  225    HG   LEU  30           HG       LEU  30   0.152   6.528   2.410
  226   1HD1  LEU  30          3HD1      LEU  30  -0.344   4.754   0.104
  227   2HD1  LEU  30          2HD1      LEU  30   1.326   4.878   0.658
  228   3HD1  LEU  30          1HD1      LEU  30   0.062   4.361   1.776
  229   1HD2  LEU  30          1HD2      LEU  30   0.665   7.850  -0.164
  230   2HD2  LEU  30          3HD2      LEU  30   1.403   8.113   1.416
  231   3HD2  LEU  30          2HD2      LEU  30   1.951   6.779   0.398
  232    H    ALA  31           H        ALA  31  -3.150   4.616   2.967
  233    HA   ALA  31           HA       ALA  31  -2.353   4.695   5.596
  234   1HB   ALA  31          3HB       ALA  31  -3.187   2.636   3.721
  235   2HB   ALA  31          2HB       ALA  31  -2.099   2.030   4.969
  236   3HB   ALA  31          1HB       ALA  31  -3.592   2.852   5.424
  237    H    THR  32           H        THR  32  -0.674   3.334   6.665
  238    HA   THR  32           HA       THR  32   1.882   3.525   5.205
  239    HB   THR  32           HB       THR  32   3.009   4.040   7.217
  240    HG1  THR  32           HG1      THR  32   1.248   2.542   8.370
  241   1HG2  THR  32          3HG2      THR  32   0.366   5.497   7.196
  242   2HG2  THR  32          2HG2      THR  32   1.784   6.006   8.113
  243   3HG2  THR  32          1HG2      THR  32   1.842   5.963   6.350
  244    H    TYR  33           H        TYR  33   3.366   2.197   7.238
  245    HA   TYR  33           HA       TYR  33   2.822  -0.541   6.503
  246   1HB   TYR  33          2HB       TYR  33   5.121   0.033   6.552
  247   2HB   TYR  33          1HB       TYR  33   4.978   0.800   8.126
  248    HD1  TYR  33           HD1      TYR  33   4.493  -2.564   6.558
  249    HD2  TYR  33           HD2      TYR  33   5.768  -0.347   9.958
  250    HE1  TYR  33           HE1      TYR  33   5.208  -4.650   7.642
  251    HE2  TYR  33           HE2      TYR  33   6.489  -2.428  11.051
  252    HH   TYR  33           HH       TYR  33   5.553  -5.218  10.496
  253    H    LYS  34           H        LYS  34   3.585   0.855   9.662
  254    HA   LYS  34           HA       LYS  34   2.549  -1.106  11.260
  255   1HB   LYS  34          2HB       LYS  34   2.672   1.874  11.701
  256   2HB   LYS  34          1HB       LYS  34   2.159   0.755  12.955
  257   1HG   LYS  34          2HG       LYS  34   4.417  -0.421  12.491
  258   2HG   LYS  34          1HG       LYS  34   4.858   1.110  11.731
  259   1HD   LYS  34          2HD       LYS  34   4.312   2.290  13.811
  260   2HD   LYS  34          1HD       LYS  34   3.893   0.752  14.569
  261   1HE   LYS  34          2HE       LYS  34   6.033   0.237  14.957
  262   2HE   LYS  34          1HE       LYS  34   6.534   0.734  13.341
  263   1HZ   LYS  34          1HZ       LYS  34   5.892   3.039  14.766
  264   2HZ   LYS  34          3HZ       LYS  34   6.872   2.097  15.774
  265   3HZ   LYS  34          2HZ       LYS  34   7.418   2.538  14.236
  266    H    GLN  35           H        GLN  35   0.818   1.536   9.686
  267    HA   GLN  35           HA       GLN  35  -1.658   1.113  10.992
  268   1HB   GLN  35          2HB       GLN  35  -1.013   2.370   8.317
  269   2HB   GLN  35          1HB       GLN  35  -2.588   2.431   9.089
  270   1HG   GLN  35          2HG       GLN  35  -1.658   3.667  10.955
  271   2HG   GLN  35          1HG       GLN  35  -0.051   3.562  10.238
  272   1HE2  GLN  35          1HE2      GLN  35  -0.952   5.996  10.854
  273   2HE2  GLN  35          2HE2      GLN  35  -1.383   6.879   9.434
  274    H    LEU  36           H        LEU  36  -0.520   0.190   7.740
  275    HA   LEU  36           HA       LEU  36  -2.749  -1.331   7.019
  276   1HB   LEU  36          2HB       LEU  36  -0.310  -0.693   5.868
  277   2HB   LEU  36          1HB       LEU  36  -0.225  -2.433   6.053
  278    HG   LEU  36           HG       LEU  36  -1.073  -1.675   3.834
  279   1HD1  LEU  36          1HD1      LEU  36  -1.589  -3.902   4.792
  280   2HD1  LEU  36          3HD1      LEU  36  -3.088  -3.236   5.439
  281   3HD1  LEU  36          2HD1      LEU  36  -2.833  -3.303   3.695
  282   1HD2  LEU  36          3HD2      LEU  36  -2.623   0.052   5.359
  283   2HD2  LEU  36          2HD2      LEU  36  -2.743  -0.223   3.621
  284   3HD2  LEU  36          1HD2      LEU  36  -3.765  -1.136   4.730
  285    H    GLU  37           H        GLU  37  -0.237  -1.925   9.260
  286    HA   GLU  37           HA       GLU  37  -0.342  -4.765   9.315
  287   1HB   GLU  37          2HB       GLU  37   1.542  -3.407  10.219
  288   2HB   GLU  37          1HB       GLU  37   0.486  -2.868  11.516
  289   1HG   GLU  37          2HG       GLU  37   1.551  -4.572  12.571
  290   2HG   GLU  37          1HG       GLU  37   0.182  -5.450  11.890
  291    H    ALA  38           H        ALA  38  -1.525  -2.371  11.654
  292    HA   ALA  38           HA       ALA  38  -3.058  -4.101  13.185
  293   1HB   ALA  38          2HB       ALA  38  -2.673  -2.008  14.133
  294   2HB   ALA  38          1HB       ALA  38  -3.224  -1.151  12.694
  295   3HB   ALA  38          3HB       ALA  38  -4.391  -1.968  13.736
  296    H    ALA  39           H        ALA  39  -3.613  -2.898  10.041
  297    HA   ALA  39           HA       ALA  39  -6.482  -3.455  10.105
  298   1HB   ALA  39          3HB       ALA  39  -4.763  -2.557   7.792
  299   2HB   ALA  39          2HB       ALA  39  -6.526  -2.573   7.856
  300   3HB   ALA  39          1HB       ALA  39  -5.615  -1.469   8.887
  301    H    ARG  40           H        ARG  40  -3.471  -4.774   9.053
  302    HA   ARG  40           HA       ARG  40  -4.483  -6.762   7.296
  303   1HB   ARG  40          2HB       ARG  40  -2.209  -6.152   7.048
  304   2HB   ARG  40          1HB       ARG  40  -1.891  -6.349   8.766
  305   1HG   ARG  40          2HG       ARG  40  -2.681  -8.859   8.069
  306   2HG   ARG  40          1HG       ARG  40  -1.859  -8.323   6.602
  307   1HD   ARG  40          2HD       ARG  40   0.173  -8.071   7.672
  308   2HD   ARG  40          1HD       ARG  40  -0.570  -7.894   9.261
  309    HE   ARG  40           HE       ARG  40  -0.874 -10.495   8.029
  310   1HH1  ARG  40          2HH1      ARG  40   0.987  -8.474  10.168
  311   2HH1  ARG  40          1HH1      ARG  40   1.711  -9.804  11.009
  312   1HH2  ARG  40          2HH2      ARG  40   0.074 -12.257   9.128
  313   2HH2  ARG  40          1HH2      ARG  40   1.192 -11.955  10.418
  314    H    LYS  41           H        LYS  41  -3.821  -6.546  10.726
  315    HA   LYS  41           HA       LYS  41  -4.127  -9.327  11.238
  316   1HB   LYS  41          2HB       LYS  41  -4.495  -7.161  13.288
  317   2HB   LYS  41          1HB       LYS  41  -3.898  -8.798  13.525
  318   1HG   LYS  41          2HG       LYS  41  -1.957  -8.055  11.986
  319   2HG   LYS  41          1HG       LYS  41  -2.492  -6.423  12.388
  320   1HD   LYS  41          2HD       LYS  41  -2.009  -8.437  14.550
  321   2HD   LYS  41          1HD       LYS  41  -0.661  -7.545  13.839
  322   1HE   LYS  41          2HE       LYS  41  -1.847  -5.432  14.378
  323   2HE   LYS  41          1HE       LYS  41  -3.080  -6.381  15.209
  324   1HZ   LYS  41          1HZ       LYS  41  -0.368  -6.940  16.035
  325   2HZ   LYS  41          3HZ       LYS  41  -0.894  -5.370  16.385
  326   3HZ   LYS  41          2HZ       LYS  41  -1.758  -6.701  16.969
  327    H    ILE  42           H        ILE  42  -6.314  -6.784  10.685
  328    HA   ILE  42           HA       ILE  42  -8.500  -8.026  12.141
  329    HB   ILE  42           HB       ILE  42  -9.824  -6.151  11.545
  330   1HG1  ILE  42          1HG1      ILE  42  -7.886  -4.737   9.867
  331   2HG1  ILE  42          2HG1      ILE  42  -8.471  -6.224   9.139
  332   1HG2  ILE  42          3HG2      ILE  42  -6.980  -5.423  12.178
  333   2HG2  ILE  42          2HG2      ILE  42  -8.266  -4.216  12.124
  334   3HG2  ILE  42          1HG2      ILE  42  -8.358  -5.550  13.274
  335   1HD1  ILE  42          3HD1      ILE  42 -10.705  -4.857  10.204
  336   2HD1  ILE  42          2HD1      ILE  42  -9.745  -3.701   9.282
  337   3HD1  ILE  42          1HD1      ILE  42 -10.315  -5.185   8.517
  338    H    GLY  43           H        GLY  43  -7.023  -8.468   9.194
  339   1HA   GLY  43          1HA       GLY  43  -9.520  -9.514   8.004
  340   2HA   GLY  43          2HA       GLY  43  -7.997 -10.393   7.942
  341    H    PHE  44           H        PHE  44  -7.021  -7.331   7.617
  342    HA   PHE  44           HA       PHE  44  -7.795  -6.796   4.904
  343   1HB   PHE  44          2HB       PHE  44  -7.103  -5.085   6.691
  344   2HB   PHE  44          1HB       PHE  44  -5.446  -5.549   6.319
  345    HD1  PHE  44           HD1      PHE  44  -7.381  -5.846   3.412
  346    HD2  PHE  44           HD2      PHE  44  -5.487  -2.958   5.899
  347    HE1  PHE  44           HE1      PHE  44  -7.356  -4.255   1.537
  348    HE2  PHE  44           HE2      PHE  44  -5.462  -1.361   4.029
  349    HZ   PHE  44           HZ       PHE  44  -6.395  -2.009   1.845
  350    H    HIS  45           H        HIS  45  -7.022  -7.820   3.190
  351    HA   HIS  45           HA       HIS  45  -4.181  -8.527   3.105
  352   1HB   HIS  45          2HB       HIS  45  -5.389 -10.553   3.813
  353   2HB   HIS  45          1HB       HIS  45  -6.422 -10.433   2.395
  354    HD1  HIS  45           HD1      HIS  45  -4.590 -12.897   3.034
  355    HD2  HIS  45           HD2      HIS  45  -3.649  -9.808   0.419
  356    HE1  HIS  45           HE1      HIS  45  -2.900 -13.856   1.439
  357    HE2  HIS  45           HE2      HIS  45  -2.303 -11.954  -0.100
  358    H    VAL  46           H        VAL  46  -3.271  -7.871   1.275
  359    HA   VAL  46           HA       VAL  46  -4.721  -7.947  -1.230
  360    HB   VAL  46           HB       VAL  46  -3.571  -5.379  -1.286
  361   1HG1  VAL  46          1HG1      VAL  46  -5.660  -6.444  -2.385
  362   2HG1  VAL  46          3HG1      VAL  46  -6.505  -5.847  -0.957
  363   3HG1  VAL  46          2HG1      VAL  46  -5.663  -4.719  -2.018
  364   1HG2  VAL  46          1HG2      VAL  46  -3.683  -5.481   1.215
  365   2HG2  VAL  46          3HG2      VAL  46  -4.604  -4.162   0.487
  366   3HG2  VAL  46          2HG2      VAL  46  -5.435  -5.608   1.069
  367    H    CYS  47           H        CYS  47  -3.247  -9.208  -2.223
  368    HA   CYS  47           HA       CYS  47  -0.434  -8.920  -1.868
  369   1HB   CYS  47          2HB       CYS  47  -0.531 -10.432  -4.059
  370   2HB   CYS  47          1HB       CYS  47  -0.893 -11.078  -2.462
  371    H    ALA  48           H        ALA  48  -0.016  -6.742  -2.372
  372    HA   ALA  48           HA       ALA  48   0.878  -6.266  -4.985
  373   1HB   ALA  48          3HB       ALA  48  -1.558  -6.072  -5.439
  374   2HB   ALA  48          1HB       ALA  48  -0.653  -4.599  -5.793
  375   3HB   ALA  48          2HB       ALA  48  -1.618  -4.710  -4.320
  376    H    ALA  49           H        ALA  49   2.633  -5.123  -4.533
  377    HA   ALA  49           HA       ALA  49   3.368  -3.868  -2.271
  378   1HB   ALA  49          3HB       ALA  49   5.174  -3.480  -3.496
  379   2HB   ALA  49          2HB       ALA  49   4.267  -3.853  -4.962
  380   3HB   ALA  49          1HB       ALA  49   4.321  -2.198  -4.357
  381    H    GLY  50           H        GLY  50   2.190  -2.515  -1.065
  382   1HA   GLY  50          2HA       GLY  50   0.341  -0.970  -0.855
  383   2HA   GLY  50          1HA       GLY  50   0.779  -0.313  -2.423
  384    H    TRP  51           H        TRP  51   1.586   1.648  -2.281
  385    HA   TRP  51           HA       TRP  51   3.888   2.358  -0.938
  386   1HB   TRP  51          2HB       TRP  51   1.590   3.939  -2.036
  387   2HB   TRP  51          1HB       TRP  51   2.880   4.756  -1.158
  388    HD1  TRP  51           HD1      TRP  51   1.999   3.519  -4.535
  389    HE1  TRP  51           HE1      TRP  51   4.039   3.691  -6.108
  390    HE3  TRP  51           HE3      TRP  51   5.630   4.427  -1.058
  391    HZ2  TRP  51           HZ2      TRP  51   6.821   4.152  -5.892
  392    HZ3  TRP  51           HZ3      TRP  51   7.949   4.723  -1.814
  393    HH2  TRP  51           HH2      TRP  51   8.533   4.585  -4.183
  394    H    MET  52           H        MET  52   3.998   4.204   0.702
  395    HA   MET  52           HA       MET  52   1.967   4.412   2.680
  396   1HB   MET  52          2HB       MET  52   3.808   3.437   4.418
  397   2HB   MET  52          1HB       MET  52   2.461   2.505   3.783
  398   1HG   MET  52          2HG       MET  52   4.454   2.224   1.876
  399   2HG   MET  52          1HG       MET  52   5.296   2.131   3.421
  400   1HE   MET  52          3HE       MET  52   6.086  -0.176   3.488
  401   2HE   MET  52          2HE       MET  52   5.218   0.036   5.008
  402   3HE   MET  52          1HE       MET  52   5.041  -1.462   4.094
  403    H    ALA  53           H        ALA  53   2.679   5.758   4.529
  404    HA   ALA  53           HA       ALA  53   3.858   8.097   3.794
  405   1HB   ALA  53          1HB       ALA  53   4.073   8.642   6.119
  406   2HB   ALA  53          2HB       ALA  53   4.051   6.937   6.568
  407   3HB   ALA  53          3HB       ALA  53   2.605   7.692   5.900
  408    H    LYS  54           H        LYS  54   5.893   9.108   4.408
  409    HA   LYS  54           HA       LYS  54   8.161   9.236   4.631
  410   1HB   LYS  54          2HB       LYS  54   7.671   6.443   5.507
  411   2HB   LYS  54          1HB       LYS  54   9.306   6.841   5.003
  412   1HG   LYS  54          2HG       LYS  54   9.711   7.778   6.961
  413   2HG   LYS  54          1HG       LYS  54   8.364   8.892   6.737
  414   1HD   LYS  54          2HD       LYS  54   7.503   6.205   7.460
  415   2HD   LYS  54          1HD       LYS  54   8.549   6.944   8.675
  416   1HE   LYS  54          2HE       LYS  54   6.861   8.999   8.017
  417   2HE   LYS  54          1HE       LYS  54   5.804   7.592   7.911
  418   1HZ   LYS  54          1HZ       LYS  54   6.868   7.020  10.190
  419   2HZ   LYS  54          3HZ       LYS  54   7.225   8.674  10.244
  420   3HZ   LYS  54          2HZ       LYS  54   5.619   8.158  10.110
  421    H    GLY  55           H        GLY  55   6.660   6.937   2.519
  422   1HA   GLY  55          1HA       GLY  55   8.847   7.378   0.589
  423   2HA   GLY  55          2HA       GLY  55   7.164   7.104   0.151
  424    H    ARG  56           H        ARG  56   7.051   5.001   2.322
  425    HA   ARG  56           HA       ARG  56   8.734   2.912   1.168
  426   1HB   ARG  56          2HB       ARG  56   7.077   3.111   3.670
  427   2HB   ARG  56          1HB       ARG  56   7.662   1.558   3.091
  428   1HG   ARG  56          2HG       ARG  56   9.928   2.221   3.342
  429   2HG   ARG  56          1HG       ARG  56   9.466   3.899   3.640
  430   1HD   ARG  56          2HD       ARG  56   9.198   1.515   5.428
  431   2HD   ARG  56          1HD       ARG  56   9.908   3.091   5.771
  432    HE   ARG  56           HE       ARG  56   7.207   3.496   5.260
  433   1HH1  ARG  56          1HH1      ARG  56   9.197   1.857   7.601
  434   2HH1  ARG  56          2HH1      ARG  56   8.057   2.040   8.893
  435   1HH2  ARG  56          1HH2      ARG  56   5.697   3.743   6.952
  436   2HH2  ARG  56          2HH2      ARG  56   6.066   3.112   8.523
  437    H    VAL  57           H        VAL  57   7.706   0.747   0.857
  438    HA   VAL  57           HA       VAL  57   4.909   0.605   0.307
  439    HB   VAL  57           HB       VAL  57   5.282   1.678  -1.705
  440   1HG1  VAL  57          3HG1      VAL  57   7.971   0.538  -1.488
  441   2HG1  VAL  57          2HG1      VAL  57   7.345   0.676  -3.131
  442   3HG1  VAL  57          1HG1      VAL  57   7.442   2.105  -2.101
  443   1HG2  VAL  57          3HG2      VAL  57   5.244  -1.263  -1.921
  444   2HG2  VAL  57          2HG2      VAL  57   4.126  -0.061  -2.568
  445   3HG2  VAL  57          1HG2      VAL  57   5.647  -0.385  -3.397
  446    H    GLY  58           H        GLY  58   4.575  -1.317   1.228
  447   1HA   GLY  58          2HA       GLY  58   5.584  -3.404   2.056
  448   2HA   GLY  58          1HA       GLY  58   6.395  -3.530   0.502
  449    H    TYR  59           H        TYR  59   5.028  -5.681   1.308
  450    HA   TYR  59           HA       TYR  59   2.509  -5.571  -0.214
  451   1HB   TYR  59          2HB       TYR  59   3.866  -8.175  -0.195
  452   2HB   TYR  59          1HB       TYR  59   3.109  -7.306  -1.530
  453    HD1  TYR  59           HD1      TYR  59   4.566  -4.953  -1.984
  454    HD2  TYR  59           HD2      TYR  59   6.061  -8.700  -0.622
  455    HE1  TYR  59           HE1      TYR  59   6.787  -4.386  -2.874
  456    HE2  TYR  59           HE2      TYR  59   8.285  -8.139  -1.507
  457    HH   TYR  59           HH       TYR  59   8.836  -5.183  -3.359
  458    HA   PRO  60           HA       PRO  60   1.542  -6.959   4.093
  459   1HB   PRO  60          2HB       PRO  60  -1.083  -5.876   3.275
  460   2HB   PRO  60          1HB       PRO  60  -0.137  -5.550   4.727
  461   1HG   PRO  60          2HG       PRO  60  -0.375  -3.740   2.762
  462   2HG   PRO  60          1HG       PRO  60   1.112  -3.905   3.708
  463   1HD   PRO  60          1HD       PRO  60   0.516  -4.832   0.937
  464   2HD   PRO  60          2HD       PRO  60   2.026  -4.191   1.615
  465    H    ILE  61           H        ILE  61   1.152  -9.067   4.263
  466    HA   ILE  61           HA       ILE  61  -1.143 -10.206   2.834
  467    HB   ILE  61           HB       ILE  61   1.541 -11.587   2.976
  468   1HG1  ILE  61          2HG1      ILE  61   1.456  -9.582   1.437
  469   2HG1  ILE  61          1HG1      ILE  61   1.841 -11.112   0.656
  470   1HG2  ILE  61          1HG2      ILE  61  -0.616 -12.944   2.949
  471   2HG2  ILE  61          3HG2      ILE  61  -0.827 -12.357   1.300
  472   3HG2  ILE  61          2HG2      ILE  61   0.590 -13.320   1.718
  473   1HD1  ILE  61          1HD1      ILE  61  -0.853 -11.048   0.383
  474   2HD1  ILE  61          3HD1      ILE  61  -0.450  -9.334   0.292
  475   3HD1  ILE  61          2HD1      ILE  61   0.298 -10.476  -0.825
  476    H    VAL  62           H        VAL  62  -2.358 -11.519   4.071
  477    HA   VAL  62           HA       VAL  62  -1.297 -12.252   6.720
  478    HB   VAL  62           HB       VAL  62  -4.142 -12.582   6.558
  479   1HG1  VAL  62          1HG1      VAL  62  -2.798 -12.289   8.601
  480   2HG1  VAL  62          3HG1      VAL  62  -2.469 -10.623   8.127
  481   3HG1  VAL  62          2HG1      VAL  62  -4.119 -11.125   8.494
  482   1HG2  VAL  62          2HG2      VAL  62  -3.118  -9.860   5.765
  483   2HG2  VAL  62          1HG2      VAL  62  -4.136 -10.931   4.801
  484   3HG2  VAL  62          3HG2      VAL  62  -4.769 -10.207   6.279
  485    H    LYS  63           H        LYS  63  -2.808 -13.437   3.817
  486    HA   LYS  63           HA       LYS  63  -2.593 -16.179   4.876
  487   1HB   LYS  63          2HB       LYS  63  -4.958 -15.300   4.499
  488   2HB   LYS  63          1HB       LYS  63  -4.585 -15.318   2.781
  489   1HG   LYS  63          2HG       LYS  63  -4.994 -17.491   2.645
  490   2HG   LYS  63          1HG       LYS  63  -3.910 -17.841   3.993
  491   1HD   LYS  63          2HD       LYS  63  -6.657 -16.732   4.461
  492   2HD   LYS  63          1HD       LYS  63  -6.402 -18.461   4.221
  493   1HE   LYS  63          2HE       LYS  63  -4.622 -18.240   6.065
  494   2HE   LYS  63          1HE       LYS  63  -5.397 -16.700   6.428
  495   1HZ   LYS  63          1HZ       LYS  63  -7.014 -19.152   6.241
  496   2HZ   LYS  63          3HZ       LYS  63  -6.155 -18.813   7.660
  497   3HZ   LYS  63          2HZ       LYS  63  -7.328 -17.729   7.101
  498    HA   PRO  64           HA       PRO  64   0.312 -15.784   1.302
  499   1HB   PRO  64          2HB       PRO  64   1.962 -17.763   2.268
  500   2HB   PRO  64          1HB       PRO  64   2.143 -16.046   2.633
  501   1HG   PRO  64          2HG       PRO  64   0.899 -18.213   4.266
  502   2HG   PRO  64          1HG       PRO  64   1.910 -16.855   4.787
  503   1HD   PRO  64          1HD       PRO  64  -0.771 -16.856   5.094
  504   2HD   PRO  64          2HD       PRO  64   0.144 -15.369   4.769
  505    H    GLY  65           H        GLY  65   0.202 -16.965  -0.523
  506   1HA   GLY  65          2HA       GLY  65  -1.597 -18.710  -1.285
  507   2HA   GLY  65          1HA       GLY  65  -0.563 -19.790  -0.361
  508    HA   PRO  66           HA       PRO  66   1.153 -20.213  -4.535
  509   1HB   PRO  66          2HB       PRO  66  -0.314 -19.180  -6.585
  510   2HB   PRO  66          1HB       PRO  66  -0.703 -20.705  -5.786
  511   1HG   PRO  66          2HG       PRO  66  -1.886 -17.988  -5.365
  512   2HG   PRO  66          1HG       PRO  66  -2.700 -19.561  -5.461
  513   1HD   PRO  66          2HD       PRO  66  -2.195 -18.334  -3.106
  514   2HD   PRO  66          1HD       PRO  66  -2.185 -20.101  -3.277
  515    H    ASN  67           H        ASN  67  -0.349 -17.260  -5.734
  516    HA   ASN  67           HA       ASN  67   2.321 -16.027  -5.850
  517   1HB   ASN  67          2HB       ASN  67   0.686 -14.541  -7.521
  518   2HB   ASN  67          1HB       ASN  67   1.821 -15.790  -8.027
  519   1HD2  ASN  67          2HD2      ASN  67  -1.449 -15.583  -6.659
  520   2HD2  ASN  67          1HD2      ASN  67  -2.148 -16.753  -7.718
  521    H    CYS  68           H        CYS  68  -0.882 -15.716  -4.622
  522    HA   CYS  68           HA       CYS  68  -0.603 -12.902  -3.979
  523   1HB   CYS  68          2HB       CYS  68  -2.799 -13.876  -4.630
  524   2HB   CYS  68          1HB       CYS  68  -2.770 -14.850  -3.164
  525    H    GLY  69           H        GLY  69   1.460 -14.318  -2.858
  526   1HA   GLY  69          1HA       GLY  69   0.922 -15.148  -0.181
  527   2HA   GLY  69          2HA       GLY  69   1.499 -13.487  -0.227
  528    H    PHE  70           H        PHE  70   2.412 -16.266  -2.237
  529    HA   PHE  70           HA       PHE  70   4.409 -17.281  -2.617
  530   1HB   PHE  70          2HB       PHE  70   5.212 -14.470  -1.980
  531   2HB   PHE  70          1HB       PHE  70   6.461 -15.696  -2.164
  532    HD1  PHE  70           HD1      PHE  70   6.235 -17.171  -4.338
  533    HD2  PHE  70           HD2      PHE  70   4.550 -13.295  -3.836
  534    HE1  PHE  70           HE1      PHE  70   6.150 -16.896  -6.781
  535    HE2  PHE  70           HE2      PHE  70   4.462 -13.014  -6.278
  536    HZ   PHE  70           HZ       PHE  70   5.262 -14.814  -7.755
  537    H    GLY  71           H        GLY  71   3.166 -17.474   0.029
  538   1HA   GLY  71          1HA       GLY  71   5.243 -18.868   1.364
  539   2HA   GLY  71          2HA       GLY  71   3.649 -18.519   2.021
  540    H    LYS  72           H        LYS  72   4.120 -15.591   1.520
  541    HA   LYS  72           HA       LYS  72   6.242 -14.980   3.419
  542   1HB   LYS  72          2HB       LYS  72   4.496 -13.280   1.646
  543   2HB   LYS  72          1HB       LYS  72   5.545 -12.580   2.873
  544   1HG   LYS  72          2HG       LYS  72   7.468 -13.152   1.754
  545   2HG   LYS  72          1HG       LYS  72   6.695 -14.481   0.888
  546   1HD   LYS  72          2HD       LYS  72   5.812 -13.107  -0.717
  547   2HD   LYS  72          1HD       LYS  72   5.739 -11.714   0.362
  548   1HE   LYS  72          2HE       LYS  72   7.519 -11.010  -0.819
  549   2HE   LYS  72          1HE       LYS  72   8.411 -12.109   0.232
  550   1HZ   LYS  72          2HZ       LYS  72   7.258 -13.310  -2.142
  551   2HZ   LYS  72          1HZ       LYS  72   8.503 -12.202  -2.427
  552   3HZ   LYS  72          3HZ       LYS  72   8.777 -13.546  -1.437
  553    H    THR  73           H        THR  73   5.896 -13.720   5.307
  554    HA   THR  73           HA       THR  73   3.142 -13.857   6.347
  555    HB   THR  73           HB       THR  73   4.672 -13.826   8.605
  556    HG1  THR  73           HG1      THR  73   6.460 -15.026   8.314
  557   1HG2  THR  73          3HG2      THR  73   3.355 -15.990   7.029
  558   2HG2  THR  73          2HG2      THR  73   4.288 -16.423   8.462
  559   3HG2  THR  73          1HG2      THR  73   2.920 -15.319   8.601
  560    H    GLY  74           H        GLY  74   2.288 -12.014   7.090
  561   1HA   GLY  74          2HA       GLY  74   3.850  -9.920   8.254
  562   2HA   GLY  74          1HA       GLY  74   2.132  -9.851   7.877
  563    H    ILE  75           H        ILE  75   3.396  -7.586   7.440
  564    HA   ILE  75           HA       ILE  75   3.156  -7.219   4.619
  565    HB   ILE  75           HB       ILE  75   4.164  -5.270   6.695
  566   1HG1  ILE  75          1HG1      ILE  75   1.413  -5.969   5.700
  567   2HG1  ILE  75          2HG1      ILE  75   1.974  -5.796   7.360
  568   1HG2  ILE  75          3HG2      ILE  75   4.204  -5.117   3.903
  569   2HG2  ILE  75          2HG2      ILE  75   2.852  -4.107   4.418
  570   3HG2  ILE  75          1HG2      ILE  75   4.470  -3.808   5.055
  571   1HD1  ILE  75          3HD1      ILE  75   2.167  -3.378   7.028
  572   2HD1  ILE  75          2HD1      ILE  75   1.559  -3.570   5.384
  573   3HD1  ILE  75          1HD1      ILE  75   0.525  -3.965   6.757
  574    H    ILE  76           H        ILE  76   4.673  -7.640   3.177
  575    HA   ILE  76           HA       ILE  76   7.456  -7.862   3.993
  576    HB   ILE  76           HB       ILE  76   6.424  -8.274   1.199
  577   1HG1  ILE  76          2HG1      ILE  76   4.991  -9.673   2.483
  578   2HG1  ILE  76          1HG1      ILE  76   6.265 -10.723   1.872
  579   1HG2  ILE  76          2HG2      ILE  76   8.955  -8.369   2.328
  580   2HG2  ILE  76          1HG2      ILE  76   8.477 -10.060   2.174
  581   3HG2  ILE  76          3HG2      ILE  76   8.474  -9.010   0.757
  582   1HD1  ILE  76          2HD1      ILE  76   7.391 -10.606   4.034
  583   2HD1  ILE  76          1HD1      ILE  76   6.104  -9.565   4.643
  584   3HD1  ILE  76          3HD1      ILE  76   5.748 -11.229   4.181
  585    H    ASP  77           H        ASP  77   7.780  -5.601   4.408
  586    HA   ASP  77           HA       ASP  77   7.973  -3.954   1.976
  587   1HB   ASP  77          2HB       ASP  77   6.553  -2.834   3.489
  588   2HB   ASP  77          1HB       ASP  77   7.564  -3.237   4.871
  589    H    TYR  78           H        TYR  78   9.897  -3.152   1.342
  590    HA   TYR  78           HA       TYR  78  12.244  -3.936   2.924
  591   1HB   TYR  78          2HB       TYR  78  12.028  -3.196  -0.003
  592   2HB   TYR  78          1HB       TYR  78  13.509  -3.680   0.818
  593    HD1  TYR  78           HD1      TYR  78  10.023  -4.951   0.331
  594    HD2  TYR  78           HD2      TYR  78  14.168  -5.874   0.584
  595    HE1  TYR  78           HE1      TYR  78   9.521  -7.308  -0.162
  596    HE2  TYR  78           HE2      TYR  78  13.679  -8.233   0.090
  597    HH   TYR  78           HH       TYR  78  11.635  -9.786   0.366
  598    H    GLY  79           H        GLY  79  10.543  -1.522   3.347
  599   1HA   GLY  79          2HA       GLY  79  12.649   0.330   3.827
  600   2HA   GLY  79          1HA       GLY  79  10.927   0.639   4.042
  601    H    ILE  80           H        ILE  80  12.151   2.743   3.162
  602    HA   ILE  80           HA       ILE  80  11.016   3.291   0.654
  603    HB   ILE  80           HB       ILE  80  13.233   4.813   2.030
  604   1HG1  ILE  80          1HG1      ILE  80  10.274   5.389   2.154
  605   2HG1  ILE  80          2HG1      ILE  80  11.086   4.387   3.351
  606   1HG2  ILE  80          1HG2      ILE  80  11.936   5.174  -0.485
  607   2HG2  ILE  80          3HG2      ILE  80  11.494   6.503   0.587
  608   3HG2  ILE  80          2HG2      ILE  80  13.193   6.157   0.267
  609   1HD1  ILE  80          2HD1      ILE  80  12.217   7.068   2.796
  610   2HD1  ILE  80          1HD1      ILE  80  10.714   6.966   3.713
  611   3HD1  ILE  80          3HD1      ILE  80  12.162   6.146   4.299
  612    H    ARG  81           H        ARG  81  11.662   2.703  -1.299
  613    HA   ARG  81           HA       ARG  81  14.261   1.561  -1.737
  614   1HB   ARG  81          2HB       ARG  81  11.753   1.860  -3.276
  615   2HB   ARG  81          1HB       ARG  81  13.229   1.781  -4.229
  616   1HG   ARG  81          2HG       ARG  81  12.309  -0.260  -2.214
  617   2HG   ARG  81          1HG       ARG  81  12.236  -0.418  -3.971
  618   1HD   ARG  81          2HD       ARG  81  14.768  -0.038  -3.921
  619   2HD   ARG  81          1HD       ARG  81  14.652  -0.361  -2.192
  620    HE   ARG  81           HE       ARG  81  13.541  -2.534  -2.986
  621   1HH1  ARG  81          1HH1      ARG  81  16.079  -0.855  -4.679
  622   2HH1  ARG  81          2HH1      ARG  81  16.711  -2.288  -5.419
  623   1HH2  ARG  81          1HH2      ARG  81  14.365  -4.429  -3.956
  624   2HH2  ARG  81          2HH2      ARG  81  15.736  -4.320  -5.009
  625    H    LEU  82           H        LEU  82  13.495   4.627  -1.314
  626    HA   LEU  82           HA       LEU  82  14.393   6.633  -1.896
  627   1HB   LEU  82          2HB       LEU  82  16.468   4.878  -1.754
  628   2HB   LEU  82          1HB       LEU  82  16.658   5.489  -3.384
  629    HG   LEU  82           HG       LEU  82  18.040   6.821  -1.997
  630   1HD1  LEU  82          2HD1      LEU  82  15.522   8.087  -2.934
  631   2HD1  LEU  82          1HD1      LEU  82  16.632   9.053  -1.960
  632   3HD1  LEU  82          3HD1      LEU  82  17.183   8.332  -3.473
  633   1HD2  LEU  82          1HD2      LEU  82  16.881   6.158   0.128
  634   2HD2  LEU  82          3HD2      LEU  82  17.376   7.848   0.038
  635   3HD2  LEU  82          2HD2      LEU  82  15.687   7.409  -0.216
  636    H    ASN  83           H        ASN  83  12.541   5.368  -3.715
  637    HA   ASN  83           HA       ASN  83  13.010   7.041  -6.009
  638   1HB   ASN  83          2HB       ASN  83  14.187   4.714  -6.348
  639   2HB   ASN  83          1HB       ASN  83  12.549   4.159  -6.680
  640   1HD2  ASN  83          1HD2      ASN  83  14.258   7.168  -7.447
  641   2HD2  ASN  83          2HD2      ASN  83  14.005   7.079  -9.152
  642    H    ARG  84           H        ARG  84  11.073   7.912  -4.985
  643    HA   ARG  84           HA       ARG  84   8.674   6.478  -4.734
  644   1HB   ARG  84          2HB       ARG  84   9.000   9.434  -5.265
  645   2HB   ARG  84          1HB       ARG  84   7.608   8.643  -4.544
  646   1HG   ARG  84          2HG       ARG  84   8.621   8.378  -2.522
  647   2HG   ARG  84          1HG       ARG  84  10.239   8.303  -3.219
  648   1HD   ARG  84          2HD       ARG  84   9.280  10.860  -3.819
  649   2HD   ARG  84          1HD       ARG  84   8.807  10.560  -2.148
  650    HE   ARG  84           HE       ARG  84  11.146  10.180  -1.642
  651   1HH1  ARG  84          1HH1      ARG  84  10.431  11.670  -4.708
  652   2HH1  ARG  84          2HH1      ARG  84  12.002  12.380  -4.876
  653   1HH2  ARG  84          1HH2      ARG  84  13.218  11.112  -1.855
  654   2HH2  ARG  84          2HH2      ARG  84  13.585  12.063  -3.255
  655    H    SER  85           H        SER  85  10.365   7.318  -7.487
  656    HA   SER  85           HA       SER  85   8.100   7.797  -9.208
  657   1HB   SER  85          2HB       SER  85  10.959   8.062  -9.394
  658   2HB   SER  85          1HB       SER  85  10.360   7.134 -10.769
  659    HG   SER  85           HG       SER  85   8.793   9.287 -10.217
  660    H    GLU  86           H        GLU  86   8.565   5.197  -7.643
  661    HA   GLU  86           HA       GLU  86   8.875   3.202  -9.693
  662   1HB   GLU  86          2HB       GLU  86   8.322   3.174  -6.753
  663   2HB   GLU  86          1HB       GLU  86   7.992   1.729  -7.699
  664   1HG   GLU  86          2HG       GLU  86  10.610   2.853  -8.256
  665   2HG   GLU  86          1HG       GLU  86  10.396   2.423  -6.559
  666    H    ARG  87           H        ARG  87   7.031   1.330  -9.370
  667    HA   ARG  87           HA       ARG  87   4.416   2.632  -9.636
  668   1HB   ARG  87          2HB       ARG  87   5.131   0.412 -11.505
  669   2HB   ARG  87          1HB       ARG  87   3.917   1.668 -11.677
  670   1HG   ARG  87          2HG       ARG  87   5.329   3.042 -12.716
  671   2HG   ARG  87          1HG       ARG  87   6.627   2.722 -11.564
  672   1HD   ARG  87          2HD       ARG  87   7.635   1.349 -12.990
  673   2HD   ARG  87          1HD       ARG  87   6.159   0.408 -13.203
  674    HE   ARG  87           HE       ARG  87   5.538   2.165 -14.890
  675   1HH1  ARG  87          2HH1      ARG  87   8.859   1.450 -14.123
  676   2HH1  ARG  87          1HH1      ARG  87   9.461   1.958 -15.666
  677   1HH2  ARG  87          1HH2      ARG  87   6.318   2.835 -16.926
  678   2HH2  ARG  87          2HH2      ARG  87   8.015   2.746 -17.260
  679    H    TRP  88           H        TRP  88   3.112   1.778  -8.217
  680    HA   TRP  88           HA       TRP  88   2.869  -1.106  -7.950
  681   1HB   TRP  88          2HB       TRP  88   3.222   0.532  -5.442
  682   2HB   TRP  88          1HB       TRP  88   3.224  -1.220  -5.611
  683    HD1  TRP  88           HD1      TRP  88   5.514   1.687  -5.410
  684    HE1  TRP  88           HE1      TRP  88   7.938   0.944  -5.864
  685    HE3  TRP  88           HE3      TRP  88   4.602  -3.004  -7.228
  686    HZ2  TRP  88           HZ2      TRP  88   9.284  -1.330  -6.858
  687    HZ3  TRP  88           HZ3      TRP  88   6.511  -4.399  -7.907
  688    HH2  TRP  88           HH2      TRP  88   8.804  -3.578  -7.725
  689    H    ASP  89           H        ASP  89   1.505  -0.259  -5.262
  690    HA   ASP  89           HA       ASP  89  -0.987   0.695  -6.508
  691   1HB   ASP  89          2HB       ASP  89  -0.944  -0.974  -4.009
  692   2HB   ASP  89          1HB       ASP  89  -2.265  -0.721  -5.146
  693    H    ALA  90           H        ALA  90  -2.485   1.245  -4.345
  694    HA   ALA  90           HA       ALA  90  -0.933   2.964  -2.569
  695   1HB   ALA  90          1HB       ALA  90  -1.513   4.347  -4.537
  696   2HB   ALA  90          2HB       ALA  90  -2.244   4.932  -3.043
  697   3HB   ALA  90          3HB       ALA  90  -3.220   4.044  -4.213
  698    H    TYR  91           H        TYR  91  -1.735   2.914  -0.541
  699    HA   TYR  91           HA       TYR  91  -4.327   1.616  -0.139
  700   1HB   TYR  91          2HB       TYR  91  -1.912   2.036   1.598
  701   2HB   TYR  91          1HB       TYR  91  -3.469   1.643   2.313
  702    HD1  TYR  91           HD1      TYR  91  -4.620  -0.514   1.575
  703    HD2  TYR  91           HD2      TYR  91  -0.551   0.359   0.689
  704    HE1  TYR  91           HE1      TYR  91  -4.215  -2.892   1.124
  705    HE2  TYR  91           HE2      TYR  91  -0.138  -2.021   0.233
  706    HH   TYR  91           HH       TYR  91  -2.349  -4.155  -0.454
  707    H    CYS  92           H        CYS  92  -5.984   2.994  -0.061
  708    HA   CYS  92           HA       CYS  92  -5.595   5.702   0.891
  709   1HB   CYS  92          2HB       CYS  92  -7.767   4.240  -0.534
  710   2HB   CYS  92          1HB       CYS  92  -8.191   5.691   0.367
  711    H    TYR  93           H        TYR  93  -6.169   6.481   2.804
  712    HA   TYR  93           HA       TYR  93  -7.837   4.834   4.576
  713   1HB   TYR  93          2HB       TYR  93  -5.543   4.497   5.248
  714   2HB   TYR  93          1HB       TYR  93  -5.242   6.222   5.243
  715    HD1  TYR  93           HD1      TYR  93  -7.399   7.382   6.756
  716    HD2  TYR  93           HD2      TYR  93  -5.378   3.695   7.395
  717    HE1  TYR  93           HE1      TYR  93  -7.985   7.483   9.140
  718    HE2  TYR  93           HE2      TYR  93  -5.962   3.780   9.780
  719    HH   TYR  93           HH       TYR  93  -7.825   4.900  11.182
  720    H    ASN  94           H        ASN  94  -9.616   5.953   4.995
  721    HA   ASN  94           HA       ASN  94  -9.367   8.816   5.616
  722   1HB   ASN  94          2HB       ASN  94 -11.552   7.548   3.948
  723   2HB   ASN  94          1HB       ASN  94 -11.519   9.229   4.471
  724   1HD2  ASN  94          2HD2      ASN  94 -11.677   9.708   2.202
  725   2HD2  ASN  94          1HD2      ASN  94 -10.250   9.715   1.229
  726    HA   PRO  95           HA       PRO  95 -11.676   8.140   9.297
  727   1HB   PRO  95          2HB       PRO  95 -13.693  10.049   9.036
  728   2HB   PRO  95          1HB       PRO  95 -12.087  10.338   9.714
  729   1HG   PRO  95          2HG       PRO  95 -13.121  10.895   6.972
  730   2HG   PRO  95          1HG       PRO  95 -11.988  11.835   7.959
  731   1HD   PRO  95          1HD       PRO  95 -11.145  10.321   5.914
  732   2HD   PRO  95          2HD       PRO  95 -10.189  10.487   7.402
  733    H    HIS  96           H        HIS  96 -13.867   8.884   6.589
  734    HA   HIS  96           HA       HIS  96 -15.641   6.725   7.499
  735   1HB   HIS  96          2HB       HIS  96 -16.536   9.093   7.171
  736   2HB   HIS  96          1HB       HIS  96 -16.300   8.836   5.445
  737    HD1  HIS  96           HD1      HIS  96 -18.820   8.958   4.949
  738    HD2  HIS  96           HD2      HIS  96 -17.774   5.944   7.611
  739    HE1  HIS  96           HE1      HIS  96 -20.861   7.502   5.152
  740    HE2  HIS  96           HE2      HIS  96 -20.231   5.733   6.832
  741    H    ALA  97           H        ALA  97 -13.612   7.816   4.911
  742    HA   ALA  97           HA       ALA  97 -13.358   7.019   2.731
  743   1HB   ALA  97          3HB       ALA  97 -11.559   5.892   3.468
  744   2HB   ALA  97          1HB       ALA  97 -12.560   4.469   3.173
  745   3HB   ALA  97          2HB       ALA  97 -12.444   5.143   4.798
  746    H    LYS  98           H        LYS  98 -15.750   7.141   2.306
  747    HA   LYS  98           HA       LYS  98 -17.063   4.535   2.180
  748   1HB   LYS  98          2HB       LYS  98 -18.088   6.899   2.889
  749   2HB   LYS  98          1HB       LYS  98 -18.392   6.993   1.159
  750   1HG   LYS  98          2HG       LYS  98 -19.182   4.495   2.539
  751   2HG   LYS  98          1HG       LYS  98 -20.134   5.945   2.866
  752   1HD   LYS  98          2HD       LYS  98 -19.931   6.077   0.171
  753   2HD   LYS  98          1HD       LYS  98 -19.921   4.330   0.413
  754   1HE   LYS  98          2HE       LYS  98 -22.097   4.299   0.886
  755   2HE   LYS  98          1HE       LYS  98 -21.930   5.615   2.047
  756   1HZ   LYS  98          2HZ       LYS  98 -21.946   6.149  -0.855
  757   2HZ   LYS  98          1HZ       LYS  98 -23.394   5.981   0.002
  758   3HZ   LYS  98          3HZ       LYS  98 -22.301   7.203   0.418

  No H/Q in entry =         758
  Start of MODEL   14
    1    H1   GLY   1          2H        GLY   1 -11.161   5.287   7.811
    2    H2   GLY   1          1H        GLY   1 -11.955   4.751   9.205
    3    H3   GLY   1          3H        GLY   1 -10.310   5.145   9.266
    4   1HA   GLY   1          2HA       GLY   1 -11.596   2.812   7.985
    5   2HA   GLY   1          1HA       GLY   1 -10.354   2.820   9.226
    6    H    VAL   2           H        VAL   2  -9.445   1.263   7.573
    7    HA   VAL   2           HA       VAL   2  -7.759   2.772   5.684
    8    HB   VAL   2           HB       VAL   2  -7.037   0.009   6.539
    9   1HG1  VAL   2          1HG1      VAL   2  -5.589   2.480   5.654
   10   2HG1  VAL   2          3HG1      VAL   2  -4.738   1.154   6.447
   11   3HG1  VAL   2          2HG1      VAL   2  -5.589   0.872   4.928
   12   1HG2  VAL   2          2HG2      VAL   2  -7.608   1.855   8.480
   13   2HG2  VAL   2          1HG2      VAL   2  -6.519   0.479   8.658
   14   3HG2  VAL   2          3HG2      VAL   2  -5.873   2.067   8.243
   15    H    TYR   3           H        TYR   3  -7.656   2.176   3.573
   16    HA   TYR   3           HA       TYR   3  -8.793  -0.368   2.753
   17   1HB   TYR   3          2HB       TYR   3 -10.154   0.812   0.939
   18   2HB   TYR   3          1HB       TYR   3 -10.796   0.833   2.573
   19    HD1  TYR   3           HD1      TYR   3  -9.866   2.991   3.974
   20    HD2  TYR   3           HD2      TYR   3 -10.365   2.757  -0.244
   21    HE1  TYR   3           HE1      TYR   3 -10.041   5.442   3.864
   22    HE2  TYR   3           HE2      TYR   3 -10.544   5.206  -0.366
   23    HH   TYR   3           HH       TYR   3 -10.824   7.095   0.853
   24    H    HIS   4           H        HIS   4  -8.420  -0.857   0.491
   25    HA   HIS   4           HA       HIS   4  -5.916   0.380  -0.425
   26   1HB   HIS   4          2HB       HIS   4  -5.501  -1.898  -0.077
   27   2HB   HIS   4          1HB       HIS   4  -7.067  -2.379  -0.723
   28    HD1  HIS   4           HD1      HIS   4  -7.250  -2.732  -3.241
   29    HD2  HIS   4           HD2      HIS   4  -3.523  -1.349  -2.031
   30    HE1  HIS   4           HE1      HIS   4  -5.759  -2.971  -5.252
   31    HE2  HIS   4           HE2      HIS   4  -3.486  -2.218  -4.465
   32    H    ARG   5           H        ARG   5  -5.576   0.593  -2.734
   33    HA   ARG   5           HA       ARG   5  -7.782   0.454  -4.551
   34   1HB   ARG   5          2HB       ARG   5  -7.343   2.876  -3.045
   35   2HB   ARG   5          1HB       ARG   5  -7.130   3.173  -4.763
   36   1HG   ARG   5          2HG       ARG   5  -9.485   1.581  -4.265
   37   2HG   ARG   5          1HG       ARG   5  -9.525   3.097  -3.363
   38   1HD   ARG   5          2HD       ARG   5  -8.792   4.159  -5.614
   39   2HD   ARG   5          1HD       ARG   5  -9.387   2.656  -6.319
   40    HE   ARG   5           HE       ARG   5 -11.182   4.136  -4.555
   41   1HH1  ARG   5          1HH1      ARG   5 -10.271   3.196  -7.782
   42   2HH1  ARG   5          2HH1      ARG   5 -11.794   3.635  -8.480
   43   1HH2  ARG   5          2HH2      ARG   5 -13.192   4.716  -5.463
   44   2HH2  ARG   5          1HH2      ARG   5 -13.455   4.498  -7.161
   45    H    GLU   6           H        GLU   6  -7.179   1.384  -6.717
   46    HA   GLU   6           HA       GLU   6  -4.259   1.310  -7.112
   47   1HB   GLU   6          2HB       GLU   6  -6.148  -0.520  -8.091
   48   2HB   GLU   6          1HB       GLU   6  -5.712   0.483  -9.468
   49   1HG   GLU   6          2HG       GLU   6  -4.256  -1.373  -9.473
   50   2HG   GLU   6          1HG       GLU   6  -3.315   0.018  -8.936
   51    H    ALA   7           H        ALA   7  -4.170   1.883  -9.779
   52    HA   ALA   7           HA       ALA   7  -4.373   4.685  -9.808
   53   1HB   ALA   7          3HB       ALA   7  -3.430   4.604 -11.905
   54   2HB   ALA   7          2HB       ALA   7  -2.932   3.046 -11.246
   55   3HB   ALA   7          1HB       ALA   7  -4.298   3.137 -12.357
   56    H    ARG   8           H        ARG   8  -5.441   5.496 -12.156
   57    HA   ARG   8           HA       ARG   8  -8.060   6.025 -11.657
   58   1HB   ARG   8          2HB       ARG   8  -6.386   6.006 -14.082
   59   2HB   ARG   8          1HB       ARG   8  -8.116   5.928 -14.381
   60   1HG   ARG   8          2HG       ARG   8  -6.859   8.009 -12.617
   61   2HG   ARG   8          1HG       ARG   8  -7.094   8.227 -14.352
   62   1HD   ARG   8          2HD       ARG   8  -9.563   7.436 -13.652
   63   2HD   ARG   8          1HD       ARG   8  -9.064   8.216 -12.152
   64    HE   ARG   8           HE       ARG   8  -8.637   9.751 -14.573
   65   1HH1  ARG   8          2HH1      ARG   8 -10.725   9.060 -11.873
   66   2HH1  ARG   8          1HH1      ARG   8 -11.580  10.562 -11.982
   67   1HH2  ARG   8          1HH2      ARG   8  -9.757  11.734 -14.726
   68   2HH2  ARG   8          2HH2      ARG   8 -11.029  12.083 -13.604
   69    H    SER   9           H        SER   9  -6.740   3.140 -13.146
   70    HA   SER   9           HA       SER   9  -8.942   1.539 -12.480
   71   1HB   SER   9          2HB       SER   9 -10.020   2.887 -14.299
   72   2HB   SER   9          1HB       SER   9  -8.841   2.218 -15.427
   73    HG   SER   9           HG       SER   9  -9.738   0.247 -15.224
   74    H    GLY  10           H        GLY  10  -5.906   1.765 -12.847
   75   1HA   GLY  10          2HA       GLY  10  -4.451   0.359 -14.384
   76   2HA   GLY  10          1HA       GLY  10  -5.585  -0.929 -14.011
   77    H    LYS  11           H        LYS  11  -3.695  -2.079 -13.302
   78    HA   LYS  11           HA       LYS  11  -3.131  -1.558 -10.483
   79   1HB   LYS  11          2HB       LYS  11  -4.020  -3.764 -11.120
   80   2HB   LYS  11          1HB       LYS  11  -2.623  -4.021 -12.155
   81   1HG   LYS  11          2HG       LYS  11  -1.422  -4.775 -10.457
   82   2HG   LYS  11          1HG       LYS  11  -1.766  -3.330  -9.504
   83   1HD   LYS  11          2HD       LYS  11  -3.474  -4.317  -8.376
   84   2HD   LYS  11          1HD       LYS  11  -3.944  -5.320  -9.751
   85   1HE   LYS  11          2HE       LYS  11  -1.419  -6.240  -9.061
   86   2HE   LYS  11          1HE       LYS  11  -2.210  -5.938  -7.514
   87   1HZ   LYS  11          1HZ       LYS  11  -3.913  -7.275  -9.391
   88   2HZ   LYS  11          3HZ       LYS  11  -2.512  -8.160  -9.045
   89   3HZ   LYS  11          2HZ       LYS  11  -3.543  -7.681  -7.792
   90    H    TYR  12           H        TYR  12  -0.976  -1.896  -9.656
   91    HA   TYR  12           HA       TYR  12   1.185  -1.143  -9.585
   92   1HB   TYR  12          2HB       TYR  12   1.236  -3.004 -11.966
   93   2HB   TYR  12          1HB       TYR  12   2.673  -2.417 -11.135
   94    HD1  TYR  12           HD1      TYR  12   1.832  -2.580  -8.319
   95    HD2  TYR  12           HD2      TYR  12   1.205  -5.295 -11.529
   96    HE1  TYR  12           HE1      TYR  12   1.684  -4.435  -6.711
   97    HE2  TYR  12           HE2      TYR  12   1.051  -7.160  -9.933
   98    HH   TYR  12           HH       TYR  12   0.841  -7.699  -7.745
   99    H    LYS  13           H        LYS  13   0.037   0.967 -10.420
  100    HA   LYS  13           HA       LYS  13   1.799   2.037 -12.466
  101   1HB   LYS  13          2HB       LYS  13  -1.211   2.131 -12.705
  102   2HB   LYS  13          1HB       LYS  13  -0.117   3.122 -13.659
  103   1HG   LYS  13          2HG       LYS  13   0.538   0.291 -13.776
  104   2HG   LYS  13          1HG       LYS  13  -1.092   0.650 -14.351
  105   1HD   LYS  13          2HD       LYS  13   0.559   2.640 -15.433
  106   2HD   LYS  13          1HD       LYS  13   1.438   1.123 -15.632
  107   1HE   LYS  13          2HE       LYS  13  -1.445   1.113 -16.306
  108   2HE   LYS  13          1HE       LYS  13  -0.370   1.991 -17.394
  109   1HZ   LYS  13          1HZ       LYS  13   0.267  -0.764 -16.560
  110   2HZ   LYS  13          3HZ       LYS  13  -0.811  -0.481 -17.832
  111   3HZ   LYS  13          2HZ       LYS  13   0.782   0.076 -17.934
  112    H    LEU  14           H        LEU  14   0.745   2.238  -9.502
  113    HA   LEU  14           HA       LEU  14   0.361   5.150  -9.454
  114   1HB   LEU  14          2HB       LEU  14  -0.388   2.926  -7.599
  115   2HB   LEU  14          1HB       LEU  14  -0.235   4.559  -6.988
  116    HG   LEU  14           HG       LEU  14  -2.137   3.620  -9.133
  117   1HD1  LEU  14          3HD1      LEU  14  -2.698   2.991  -6.803
  118   2HD1  LEU  14          2HD1      LEU  14  -2.685   4.704  -6.376
  119   3HD1  LEU  14          1HD1      LEU  14  -3.865   4.093  -7.535
  120   1HD2  LEU  14          2HD2      LEU  14  -1.036   6.058  -9.118
  121   2HD2  LEU  14          1HD2      LEU  14  -2.702   5.754  -9.609
  122   3HD2  LEU  14          3HD2      LEU  14  -2.355   6.328  -7.979
  123    H    THR  15           H        THR  15   1.948   6.410  -8.783
  124    HA   THR  15           HA       THR  15   4.262   5.201  -7.446
  125    HB   THR  15           HB       THR  15   5.595   6.848  -8.328
  126    HG1  THR  15           HG1      THR  15   5.038   8.921  -8.348
  127   1HG2  THR  15          1HG2      THR  15   3.878   5.726 -10.112
  128   2HG2  THR  15          3HG2      THR  15   3.626   7.442 -10.429
  129   3HG2  THR  15          2HG2      THR  15   5.244   6.751 -10.553
  130    H    TYR  16           H        TYR  16   5.044   6.018  -5.481
  131    HA   TYR  16           HA       TYR  16   3.426   6.617  -3.459
  132   1HB   TYR  16          2HB       TYR  16   5.774   6.369  -3.039
  133   2HB   TYR  16          1HB       TYR  16   6.147   7.831  -3.945
  134    HD1  TYR  16           HD1      TYR  16   4.375   6.627  -0.900
  135    HD2  TYR  16           HD2      TYR  16   6.274   9.896  -2.860
  136    HE1  TYR  16           HE1      TYR  16   4.228   7.948   1.169
  137    HE2  TYR  16           HE2      TYR  16   6.133  11.223  -0.795
  138    HH   TYR  16           HH       TYR  16   4.993  11.336   1.247
  139    H    ALA  17           H        ALA  17   4.619   9.012  -5.766
  140    HA   ALA  17           HA       ALA  17   3.431  11.257  -4.504
  141   1HB   ALA  17          3HB       ALA  17   4.240  10.918  -7.389
  142   2HB   ALA  17          2HB       ALA  17   3.924  12.446  -6.566
  143   3HB   ALA  17          1HB       ALA  17   5.297  11.448  -6.081
  144    H    GLU  18           H        GLU  18   2.393   9.191  -7.216
  145    HA   GLU  18           HA       GLU  18  -0.053  10.602  -7.626
  146   1HB   GLU  18          2HB       GLU  18   0.776   7.825  -8.489
  147   2HB   GLU  18          1HB       GLU  18  -0.617   8.706  -9.090
  148   1HG   GLU  18          2HG       GLU  18   0.791  10.364 -10.101
  149   2HG   GLU  18          1HG       GLU  18   2.225   9.638  -9.376
  150    H    ALA  19           H        ALA  19   0.758   7.453  -6.203
  151    HA   ALA  19           HA       ALA  19  -1.683   6.544  -5.412
  152   1HB   ALA  19          1HB       ALA  19  -0.250   4.981  -4.720
  153   2HB   ALA  19          2HB       ALA  19  -0.069   5.936  -3.248
  154   3HB   ALA  19          3HB       ALA  19   1.067   6.146  -4.582
  155    H    LYS  20           H        LYS  20   0.419   8.751  -3.582
  156    HA   LYS  20           HA       LYS  20  -1.354   9.113  -1.414
  157   1HB   LYS  20          2HB       LYS  20   1.151   9.639  -1.544
  158   2HB   LYS  20          1HB       LYS  20   0.679  11.138  -2.330
  159   1HG   LYS  20          2HG       LYS  20  -0.747  11.621  -0.317
  160   2HG   LYS  20          1HG       LYS  20   0.022  10.235   0.461
  161   1HD   LYS  20          2HD       LYS  20   2.192  11.267   0.256
  162   2HD   LYS  20          1HD       LYS  20   1.507  12.605  -0.669
  163   1HE   LYS  20          2HE       LYS  20   0.855  13.679   1.175
  164   2HE   LYS  20          1HE       LYS  20   0.173  12.216   1.882
  165   1HZ   LYS  20          2HZ       LYS  20   3.080  12.792   1.863
  166   2HZ   LYS  20          1HZ       LYS  20   2.060  13.242   3.135
  167   3HZ   LYS  20          3HZ       LYS  20   2.265  11.606   2.753
  168    H    ALA  21           H        ALA  21  -0.574  11.294  -4.125
  169    HA   ALA  21           HA       ALA  21  -2.252  13.362  -3.690
  170   1HB   ALA  21          3HB       ALA  21  -2.521  13.517  -6.195
  171   2HB   ALA  21          1HB       ALA  21  -1.633  11.995  -6.295
  172   3HB   ALA  21          2HB       ALA  21  -0.862  13.423  -5.601
  173    H    VAL  22           H        VAL  22  -3.197  10.238  -5.049
  174    HA   VAL  22           HA       VAL  22  -5.899  10.936  -5.544
  175    HB   VAL  22           HB       VAL  22  -4.403   8.353  -5.382
  176   1HG1  VAL  22          1HG1      VAL  22  -7.404   8.599  -5.555
  177   2HG1  VAL  22          3HG1      VAL  22  -6.486   7.124  -5.857
  178   3HG1  VAL  22          2HG1      VAL  22  -6.483   7.851  -4.250
  179   1HG2  VAL  22          2HG2      VAL  22  -5.579  10.083  -7.439
  180   2HG2  VAL  22          1HG2      VAL  22  -4.200   8.989  -7.526
  181   3HG2  VAL  22          3HG2      VAL  22  -5.838   8.357  -7.686
  182    H    CYS  23           H        CYS  23  -4.376   9.108  -2.906
  183    HA   CYS  23           HA       CYS  23  -6.735   8.682  -1.438
  184   1HB   CYS  23          2HB       CYS  23  -3.821   8.697  -0.674
  185   2HB   CYS  23          1HB       CYS  23  -5.091   8.345   0.491
  186    H    GLU  24           H        GLU  24  -4.203  11.153  -1.133
  187    HA   GLU  24           HA       GLU  24  -5.551  12.539   0.977
  188   1HB   GLU  24          2HB       GLU  24  -3.043  12.535   0.513
  189   2HB   GLU  24          1HB       GLU  24  -3.383  13.660  -0.794
  190   1HG   GLU  24          2HG       GLU  24  -3.999  15.356   0.647
  191   2HG   GLU  24          1HG       GLU  24  -4.348  14.244   1.969
  192    H    PHE  25           H        PHE  25  -6.040  12.340  -2.325
  193    HA   PHE  25           HA       PHE  25  -6.685  14.921  -3.117
  194   1HB   PHE  25          2HB       PHE  25  -6.775  12.463  -4.294
  195   2HB   PHE  25          1HB       PHE  25  -8.490  12.821  -4.121
  196    HD1  PHE  25           HD1      PHE  25  -5.316  14.241  -5.420
  197    HD2  PHE  25           HD2      PHE  25  -9.564  14.182  -5.657
  198    HE1  PHE  25           HE1      PHE  25  -5.216  15.652  -7.432
  199    HE2  PHE  25           HE2      PHE  25  -9.474  15.595  -7.672
  200    HZ   PHE  25           HZ       PHE  25  -7.298  16.331  -8.561
  201    H    GLU  26           H        GLU  26  -8.818  12.444  -1.742
  202    HA   GLU  26           HA       GLU  26 -10.889  14.465  -1.324
  203   1HB   GLU  26          2HB       GLU  26 -11.052  11.492  -0.832
  204   2HB   GLU  26          1HB       GLU  26 -12.391  12.629  -0.909
  205   1HG   GLU  26          2HG       GLU  26 -11.887  13.045  -3.269
  206   2HG   GLU  26          1HG       GLU  26 -10.573  11.874  -3.183
  207    H    GLY  27           H        GLY  27  -9.039  15.198   0.280
  208   1HA   GLY  27          1HA       GLY  27 -10.070  15.212   2.824
  209   2HA   GLY  27          2HA       GLY  27  -8.384  15.537   2.456
  210    H    GLY  28           H        GLY  28  -8.041  12.780   1.365
  211   1HA   GLY  28          2HA       GLY  28  -8.107  10.538   2.280
  212   2HA   GLY  28          1HA       GLY  28  -8.195  11.253   3.886
  213    H    HIS  29           H        HIS  29  -6.334   9.332   3.496
  214    HA   HIS  29           HA       HIS  29  -3.810  10.519   2.736
  215   1HB   HIS  29          2HB       HIS  29  -3.374   9.496   5.367
  216   2HB   HIS  29          1HB       HIS  29  -3.089  11.124   4.762
  217    HD1  HIS  29           HD1      HIS  29  -4.908  12.904   5.240
  218    HD2  HIS  29           HD2      HIS  29  -5.715   9.163   6.859
  219    HE1  HIS  29           HE1      HIS  29  -6.795  13.267   6.863
  220    HE2  HIS  29           HE2      HIS  29  -7.211  11.004   7.890
  221    H    LEU  30           H        LEU  30  -2.425   8.988   2.035
  222    HA   LEU  30           HA       LEU  30  -3.323   6.330   1.777
  223   1HB   LEU  30          2HB       LEU  30  -1.696   6.178   0.282
  224   2HB   LEU  30          1HB       LEU  30  -1.334   7.859   0.618
  225    HG   LEU  30           HG       LEU  30   0.098   6.612   2.572
  226   1HD1  LEU  30          1HD1      LEU  30  -0.664   4.491   1.081
  227   2HD1  LEU  30          3HD1      LEU  30   0.859   4.918   0.300
  228   3HD1  LEU  30          2HD1      LEU  30   0.823   4.560   2.028
  229   1HD2  LEU  30          2HD2      LEU  30   0.634   7.836  -0.025
  230   2HD2  LEU  30          1HD2      LEU  30   1.416   8.093   1.535
  231   3HD2  LEU  30          3HD2      LEU  30   1.902   6.735   0.518
  232    H    ALA  31           H        ALA  31  -3.274   4.715   3.136
  233    HA   ALA  31           HA       ALA  31  -2.516   4.870   5.768
  234   1HB   ALA  31          2HB       ALA  31  -3.260   2.713   3.935
  235   2HB   ALA  31          1HB       ALA  31  -2.286   2.197   5.311
  236   3HB   ALA  31          3HB       ALA  31  -3.806   3.050   5.577
  237    H    THR  32           H        THR  32  -0.830   3.615   6.931
  238    HA   THR  32           HA       THR  32   1.739   3.812   5.503
  239    HB   THR  32           HB       THR  32   2.824   4.172   7.596
  240    HG1  THR  32           HG1      THR  32   1.936   3.045   9.175
  241   1HG2  THR  32          1HG2      THR  32   0.409   5.781   7.005
  242   2HG2  THR  32          3HG2      THR  32   1.183   6.046   8.568
  243   3HG2  THR  32          2HG2      THR  32   2.104   6.263   7.079
  244    H    TYR  33           H        TYR  33   3.298   2.409   7.305
  245    HA   TYR  33           HA       TYR  33   2.797  -0.291   6.485
  246   1HB   TYR  33          2HB       TYR  33   5.074   0.257   6.571
  247   2HB   TYR  33          1HB       TYR  33   4.918   1.069   8.120
  248    HD1  TYR  33           HD1      TYR  33   4.552  -2.347   6.634
  249    HD2  TYR  33           HD2      TYR  33   5.685  -0.012  10.006
  250    HE1  TYR  33           HE1      TYR  33   5.317  -4.382   7.780
  251    HE2  TYR  33           HE2      TYR  33   6.452  -2.041  11.161
  252    HH   TYR  33           HH       TYR  33   7.272  -4.653   9.943
  253    H    LYS  34           H        LYS  34   3.539   0.900   9.727
  254    HA   LYS  34           HA       LYS  34   2.524  -1.183  11.180
  255   1HB   LYS  34          2HB       LYS  34   2.817   1.737  11.776
  256   2HB   LYS  34          1HB       LYS  34   2.040   0.689  12.950
  257   1HG   LYS  34          2HG       LYS  34   4.239  -0.751  12.518
  258   2HG   LYS  34          1HG       LYS  34   4.873   0.849  12.130
  259   1HD   LYS  34          2HD       LYS  34   3.723   1.541  14.366
  260   2HD   LYS  34          1HD       LYS  34   3.794  -0.188  14.717
  261   1HE   LYS  34          2HE       LYS  34   6.323   0.424  13.752
  262   2HE   LYS  34          1HE       LYS  34   5.898   1.803  14.767
  263   1HZ   LYS  34          2HZ       LYS  34   5.337   0.188  16.540
  264   2HZ   LYS  34          1HZ       LYS  34   5.947  -1.053  15.568
  265   3HZ   LYS  34          3HZ       LYS  34   6.973   0.178  16.112
  266    H    GLN  35           H        GLN  35   0.768   1.570   9.837
  267    HA   GLN  35           HA       GLN  35  -1.685   1.041  11.140
  268   1HB   GLN  35          2HB       GLN  35  -1.073   2.512   8.572
  269   2HB   GLN  35          1HB       GLN  35  -2.645   2.497   9.351
  270   1HG   GLN  35          2HG       GLN  35  -1.705   3.573  11.315
  271   2HG   GLN  35          1HG       GLN  35  -0.107   3.552  10.572
  272   1HE2  GLN  35          1HE2      GLN  35  -1.170   5.895  11.448
  273   2HE2  GLN  35          2HE2      GLN  35  -1.578   6.900  10.103
  274    H    LEU  36           H        LEU  36  -0.614   0.373   7.803
  275    HA   LEU  36           HA       LEU  36  -2.871  -1.092   7.036
  276   1HB   LEU  36          2HB       LEU  36  -0.925  -0.219   5.596
  277   2HB   LEU  36          1HB       LEU  36  -0.091  -1.692   6.052
  278    HG   LEU  36           HG       LEU  36  -1.402  -1.577   3.801
  279   1HD1  LEU  36          2HD1      LEU  36  -1.247  -3.789   5.784
  280   2HD1  LEU  36          1HD1      LEU  36  -2.160  -4.043   4.297
  281   3HD1  LEU  36          3HD1      LEU  36  -0.451  -3.614   4.219
  282   1HD2  LEU  36          3HD2      LEU  36  -3.602  -2.029   5.802
  283   2HD2  LEU  36          2HD2      LEU  36  -3.514  -0.805   4.536
  284   3HD2  LEU  36          1HD2      LEU  36  -3.726  -2.502   4.107
  285    H    GLU  37           H        GLU  37  -0.235  -1.865   9.088
  286    HA   GLU  37           HA       GLU  37  -0.373  -4.703   8.919
  287   1HB   GLU  37          2HB       GLU  37   1.582  -3.430   9.804
  288   2HB   GLU  37          1HB       GLU  37   0.619  -3.001  11.209
  289   1HG   GLU  37          2HG       GLU  37   0.312  -5.589  11.406
  290   2HG   GLU  37          1HG       GLU  37   1.788  -5.625  10.442
  291    H    ALA  38           H        ALA  38  -1.374  -2.488  11.507
  292    HA   ALA  38           HA       ALA  38  -2.864  -4.357  12.947
  293   1HB   ALA  38          2HB       ALA  38  -2.054  -2.013  13.646
  294   2HB   ALA  38          3HB       ALA  38  -3.602  -2.584  14.268
  295   3HB   ALA  38          1HB       ALA  38  -3.560  -1.442  12.925
  296    H    ALA  39           H        ALA  39  -3.488  -2.926   9.972
  297    HA   ALA  39           HA       ALA  39  -6.393  -3.204  10.170
  298   1HB   ALA  39          2HB       ALA  39  -4.719  -2.279   7.835
  299   2HB   ALA  39          3HB       ALA  39  -5.419  -1.211   9.053
  300   3HB   ALA  39          1HB       ALA  39  -6.471  -2.151   7.995
  301    H    ARG  40           H        ARG  40  -3.573  -4.700   8.872
  302    HA   ARG  40           HA       ARG  40  -4.829  -6.442   7.016
  303   1HB   ARG  40          2HB       ARG  40  -2.501  -6.026   6.751
  304   2HB   ARG  40          1HB       ARG  40  -2.172  -6.439   8.430
  305   1HG   ARG  40          2HG       ARG  40  -3.388  -8.649   7.017
  306   2HG   ARG  40          1HG       ARG  40  -1.915  -8.098   6.219
  307   1HD   ARG  40          2HD       ARG  40  -2.177  -8.855   9.126
  308   2HD   ARG  40          1HD       ARG  40  -1.443  -9.842   7.863
  309    HE   ARG  40           HE       ARG  40  -0.142  -7.374   7.894
  310   1HH1  ARG  40          2HH1      ARG  40  -0.552 -10.166   9.936
  311   2HH1  ARG  40          1HH1      ARG  40   0.986  -9.986  10.712
  312   1HH2  ARG  40          2HH2      ARG  40   1.886  -7.129   8.910
  313   2HH2  ARG  40          1HH2      ARG  40   2.372  -8.259  10.129
  314    H    LYS  41           H        LYS  41  -4.099  -6.526  10.423
  315    HA   LYS  41           HA       LYS  41  -4.552  -9.288  10.817
  316   1HB   LYS  41          2HB       LYS  41  -4.966  -7.189  12.929
  317   2HB   LYS  41          1HB       LYS  41  -4.414  -8.846  13.131
  318   1HG   LYS  41          2HG       LYS  41  -2.375  -8.128  11.752
  319   2HG   LYS  41          1HG       LYS  41  -2.904  -6.478  12.093
  320   1HD   LYS  41          2HD       LYS  41  -2.060  -6.566  14.149
  321   2HD   LYS  41          1HD       LYS  41  -2.935  -8.060  14.497
  322   1HE   LYS  41          2HE       LYS  41  -0.757  -8.623  12.731
  323   2HE   LYS  41          1HE       LYS  41  -0.161  -7.714  14.120
  324   1HZ   LYS  41          1HZ       LYS  41  -1.621  -9.426  15.417
  325   2HZ   LYS  41          3HZ       LYS  41  -1.397 -10.371  14.031
  326   3HZ   LYS  41          2HZ       LYS  41  -0.058  -9.835  14.915
  327    H    ILE  42           H        ILE  42  -6.679  -6.713  10.204
  328    HA   ILE  42           HA       ILE  42  -8.944  -8.001  11.522
  329    HB   ILE  42           HB       ILE  42 -10.187  -6.049  11.077
  330   1HG1  ILE  42          2HG1      ILE  42  -8.222  -4.595   9.462
  331   2HG1  ILE  42          1HG1      ILE  42  -8.856  -6.027   8.663
  332   1HG2  ILE  42          2HG2      ILE  42  -7.322  -5.399  11.714
  333   2HG2  ILE  42          1HG2      ILE  42  -8.599  -4.182  11.763
  334   3HG2  ILE  42          3HG2      ILE  42  -8.678  -5.587  12.826
  335   1HD1  ILE  42          2HD1      ILE  42 -10.507  -3.786   9.804
  336   2HD1  ILE  42          1HD1      ILE  42 -10.138  -4.037   8.098
  337   3HD1  ILE  42          3HD1      ILE  42 -11.125  -5.211   8.968
  338    H    GLY  43           H        GLY  43  -7.408  -7.881   8.483
  339   1HA   GLY  43          1HA       GLY  43  -9.832  -8.827   7.104
  340   2HA   GLY  43          2HA       GLY  43  -8.363  -9.794   7.063
  341    H    PHE  44           H        PHE  44  -7.023  -6.934   7.099
  342    HA   PHE  44           HA       PHE  44  -7.592  -5.971   4.448
  343   1HB   PHE  44          2HB       PHE  44  -6.753  -4.703   6.605
  344   2HB   PHE  44          1HB       PHE  44  -5.170  -5.155   5.990
  345    HD1  PHE  44           HD1      PHE  44  -5.539  -4.867   3.093
  346    HD2  PHE  44           HD2      PHE  44  -6.909  -2.429   6.297
  347    HE1  PHE  44           HE1      PHE  44  -5.588  -2.917   1.587
  348    HE2  PHE  44           HE2      PHE  44  -6.961  -0.480   4.799
  349    HZ   PHE  44           HZ       PHE  44  -6.301  -0.725   2.441
  350    H    HIS  45           H        HIS  45  -7.022  -7.383   2.868
  351    HA   HIS  45           HA       HIS  45  -4.183  -8.154   2.743
  352   1HB   HIS  45          2HB       HIS  45  -5.617 -10.087   3.380
  353   2HB   HIS  45          1HB       HIS  45  -6.508  -9.883   1.878
  354    HD1  HIS  45           HD1      HIS  45  -4.545 -12.310   2.942
  355    HD2  HIS  45           HD2      HIS  45  -3.907  -9.595  -0.139
  356    HE1  HIS  45           HE1      HIS  45  -2.883 -13.410   1.408
  357    HE2  HIS  45           HE2      HIS  45  -2.579 -11.786  -0.492
  358    H    VAL  46           H        VAL  46  -3.182  -7.689   0.883
  359    HA   VAL  46           HA       VAL  46  -4.670  -7.445  -1.594
  360    HB   VAL  46           HB       VAL  46  -2.957  -5.115  -1.337
  361   1HG1  VAL  46          2HG1      VAL  46  -5.544  -5.899  -2.437
  362   2HG1  VAL  46          1HG1      VAL  46  -5.503  -4.245  -1.825
  363   3HG1  VAL  46          3HG1      VAL  46  -4.346  -4.760  -3.052
  364   1HG2  VAL  46          1HG2      VAL  46  -5.221  -5.422   0.621
  365   2HG2  VAL  46          3HG2      VAL  46  -3.541  -5.001   0.956
  366   3HG2  VAL  46          2HG2      VAL  46  -4.587  -3.853   0.118
  367    H    CYS  47           H        CYS  47  -3.447  -9.010  -2.555
  368    HA   CYS  47           HA       CYS  47  -0.650  -9.265  -2.302
  369   1HB   CYS  47          2HB       CYS  47  -2.611 -10.833  -3.337
  370   2HB   CYS  47          1HB       CYS  47  -1.861 -10.236  -4.814
  371    H    ALA  48           H        ALA  48   0.077  -7.088  -2.612
  372    HA   ALA  48           HA       ALA  48   1.245  -6.577  -5.067
  373   1HB   ALA  48          2HB       ALA  48  -1.082  -6.237  -5.848
  374   2HB   ALA  48          3HB       ALA  48  -0.072  -4.801  -6.026
  375   3HB   ALA  48          1HB       ALA  48  -1.237  -4.903  -4.705
  376    H    ALA  49           H        ALA  49   2.757  -4.997  -4.857
  377    HA   ALA  49           HA       ALA  49   3.429  -4.005  -2.355
  378   1HB   ALA  49          2HB       ALA  49   5.282  -3.608  -3.514
  379   2HB   ALA  49          1HB       ALA  49   4.410  -3.748  -5.041
  380   3HB   ALA  49          3HB       ALA  49   4.492  -2.193  -4.212
  381    H    GLY  50           H        GLY  50   2.067  -2.793  -1.168
  382   1HA   GLY  50          2HA       GLY  50   0.214  -1.287  -0.951
  383   2HA   GLY  50          1HA       GLY  50   0.663  -0.572  -2.490
  384    H    TRP  51           H        TRP  51   1.558   1.361  -2.367
  385    HA   TRP  51           HA       TRP  51   3.735   2.115  -0.892
  386   1HB   TRP  51          2HB       TRP  51   1.453   3.686  -2.044
  387   2HB   TRP  51          1HB       TRP  51   2.714   4.500  -1.119
  388    HD1  TRP  51           HD1      TRP  51   1.953   3.207  -4.528
  389    HE1  TRP  51           HE1      TRP  51   4.030   3.441  -6.041
  390    HE3  TRP  51           HE3      TRP  51   5.436   4.329  -0.960
  391    HZ2  TRP  51           HZ2      TRP  51   6.779   4.032  -5.752
  392    HZ3  TRP  51           HZ3      TRP  51   7.763   4.716  -1.655
  393    HH2  TRP  51           HH2      TRP  51   8.419   4.569  -4.004
  394    H    MET  52           H        MET  52   4.012   3.479   0.946
  395    HA   MET  52           HA       MET  52   1.938   4.082   2.766
  396   1HB   MET  52          2HB       MET  52   3.173   2.405   4.512
  397   2HB   MET  52          1HB       MET  52   1.679   2.029   3.667
  398   1HG   MET  52          2HG       MET  52   2.823   0.747   2.035
  399   2HG   MET  52          1HG       MET  52   4.393   1.314   2.598
  400   1HE   MET  52          3HE       MET  52   1.741  -0.981   2.543
  401   2HE   MET  52          2HE       MET  52   2.328  -2.364   3.468
  402   3HE   MET  52          1HE       MET  52   1.272  -1.175   4.232
  403    H    ALA  53           H        ALA  53   3.056   4.434   5.083
  404    HA   ALA  53           HA       ALA  53   4.421   5.867   6.220
  405   1HB   ALA  53          2HB       ALA  53   6.526   5.064   6.467
  406   2HB   ALA  53          3HB       ALA  53   6.794   4.914   4.730
  407   3HB   ALA  53          1HB       ALA  53   5.829   3.707   5.580
  408    H    LYS  54           H        LYS  54   6.780   7.128   5.595
  409    HA   LYS  54           HA       LYS  54   5.858   9.366   4.120
  410   1HB   LYS  54          2HB       LYS  54   8.028   8.751   5.841
  411   2HB   LYS  54          1HB       LYS  54   8.706   9.400   4.356
  412   1HG   LYS  54          2HG       LYS  54   6.826  11.223   4.718
  413   2HG   LYS  54          1HG       LYS  54   7.000  10.710   6.396
  414   1HD   LYS  54          2HD       LYS  54   8.797  12.004   6.575
  415   2HD   LYS  54          1HD       LYS  54   9.606  11.010   5.361
  416   1HE   LYS  54          2HE       LYS  54   7.784  12.768   4.050
  417   2HE   LYS  54          1HE       LYS  54   8.783  13.709   5.158
  418   1HZ   LYS  54          3HZ       LYS  54  10.721  12.459   4.114
  419   2HZ   LYS  54          2HZ       LYS  54   9.642  12.034   2.882
  420   3HZ   LYS  54          1HZ       LYS  54   9.982  13.664   3.183
  421    H    GLY  55           H        GLY  55   6.785   6.452   2.962
  422   1HA   GLY  55          1HA       GLY  55   8.407   7.381   0.741
  423   2HA   GLY  55          2HA       GLY  55   6.759   6.926   0.323
  424    H    ARG  56           H        ARG  56   7.100   4.945   2.716
  425    HA   ARG  56           HA       ARG  56   8.846   2.980   1.451
  426   1HB   ARG  56          2HB       ARG  56   7.697   3.371   4.149
  427   2HB   ARG  56          1HB       ARG  56   7.886   1.702   3.629
  428   1HG   ARG  56          2HG       ARG  56  10.040   1.773   4.116
  429   2HG   ARG  56          1HG       ARG  56  10.267   3.117   2.995
  430   1HD   ARG  56          2HD       ARG  56  10.903   4.199   4.872
  431   2HD   ARG  56          1HD       ARG  56   9.165   4.435   5.052
  432    HE   ARG  56           HE       ARG  56   9.209   2.451   6.537
  433   1HH1  ARG  56          2HH1      ARG  56  12.132   4.260   5.973
  434   2HH1  ARG  56          1HH1      ARG  56  12.870   3.781   7.466
  435   1HH2  ARG  56          1HH2      ARG  56  10.172   1.813   8.504
  436   2HH2  ARG  56          2HH2      ARG  56  11.756   2.389   8.905
  437    H    VAL  57           H        VAL  57   8.165   1.163   0.468
  438    HA   VAL  57           HA       VAL  57   5.266   0.632   0.429
  439    HB   VAL  57           HB       VAL  57   5.415   1.275  -1.735
  440   1HG1  VAL  57          2HG1      VAL  57   8.334   0.760  -1.419
  441   2HG1  VAL  57          1HG1      VAL  57   7.651   0.912  -3.038
  442   3HG1  VAL  57          3HG1      VAL  57   7.494   2.240  -1.886
  443   1HG2  VAL  57          2HG2      VAL  57   5.382  -1.398  -1.514
  444   2HG2  VAL  57          1HG2      VAL  57   5.281  -0.555  -3.061
  445   3HG2  VAL  57          3HG2      VAL  57   6.826  -1.203  -2.508
  446    H    GLY  58           H        GLY  58   4.647  -1.431   0.793
  447   1HA   GLY  58          2HA       GLY  58   5.893  -3.303   2.142
  448   2HA   GLY  58          1HA       GLY  58   6.636  -3.573   0.572
  449    H    TYR  59           H        TYR  59   5.409  -5.680   1.548
  450    HA   TYR  59           HA       TYR  59   2.724  -5.735   0.350
  451   1HB   TYR  59          2HB       TYR  59   4.136  -8.255   0.028
  452   2HB   TYR  59          1HB       TYR  59   3.282  -7.287  -1.173
  453    HD1  TYR  59           HD1      TYR  59   4.586  -5.124  -1.969
  454    HD2  TYR  59           HD2      TYR  59   6.418  -8.538  -0.208
  455    HE1  TYR  59           HE1      TYR  59   6.731  -4.495  -2.993
  456    HE2  TYR  59           HE2      TYR  59   8.567  -7.916  -1.227
  457    HH   TYR  59           HH       TYR  59   9.151  -6.380  -3.503
  458    HA   PRO  60           HA       PRO  60   2.154  -7.324   4.564
  459   1HB   PRO  60          2HB       PRO  60  -0.594  -7.305   4.345
  460   2HB   PRO  60          1HB       PRO  60   0.379  -5.931   4.873
  461   1HG   PRO  60          2HG       PRO  60  -0.808  -6.501   2.196
  462   2HG   PRO  60          1HG       PRO  60  -0.661  -4.958   3.054
  463   1HD   PRO  60          2HD       PRO  60   0.985  -5.641   1.030
  464   2HD   PRO  60          1HD       PRO  60   1.534  -4.662   2.404
  465    H    ILE  61           H        ILE  61  -0.725  -8.393   2.937
  466    HA   ILE  61           HA       ILE  61  -1.467 -10.433   2.232
  467    HB   ILE  61           HB       ILE  61   1.358 -11.461   2.487
  468   1HG1  ILE  61          2HG1      ILE  61   1.407  -9.492   1.065
  469   2HG1  ILE  61          1HG1      ILE  61   1.580 -10.936   0.072
  470   1HG2  ILE  61          1HG2      ILE  61  -0.614 -13.045   2.222
  471   2HG2  ILE  61          3HG2      ILE  61  -0.792 -12.374   0.602
  472   3HG2  ILE  61          2HG2      ILE  61   0.698 -13.201   1.055
  473   1HD1  ILE  61          2HD1      ILE  61  -1.110 -10.564   0.028
  474   2HD1  ILE  61          1HD1      ILE  61  -0.515  -8.905   0.088
  475   3HD1  ILE  61          3HD1      ILE  61   0.017  -9.986  -1.199
  476    H    VAL  62           H        VAL  62  -2.732 -11.137   3.840
  477    HA   VAL  62           HA       VAL  62  -1.642 -11.949   6.381
  478    HB   VAL  62           HB       VAL  62  -4.442 -12.651   5.845
  479   1HG1  VAL  62          2HG1      VAL  62  -2.797 -11.986   8.025
  480   2HG1  VAL  62          1HG1      VAL  62  -4.022 -10.721   7.918
  481   3HG1  VAL  62          3HG1      VAL  62  -4.509 -12.411   8.050
  482   1HG2  VAL  62          3HG2      VAL  62  -3.544 -10.249   4.727
  483   2HG2  VAL  62          2HG2      VAL  62  -5.214 -10.743   5.008
  484   3HG2  VAL  62          1HG2      VAL  62  -4.355  -9.802   6.228
  485    H    LYS  63           H        LYS  63  -2.772 -13.479   3.461
  486    HA   LYS  63           HA       LYS  63  -2.291 -16.116   4.685
  487   1HB   LYS  63          2HB       LYS  63  -4.405 -15.133   2.884
  488   2HB   LYS  63          1HB       LYS  63  -3.719 -16.688   2.441
  489   1HG   LYS  63          2HG       LYS  63  -4.128 -17.045   5.095
  490   2HG   LYS  63          1HG       LYS  63  -5.460 -15.965   4.683
  491   1HD   LYS  63          2HD       LYS  63  -6.456 -17.493   3.303
  492   2HD   LYS  63          1HD       LYS  63  -4.930 -18.273   2.888
  493   1HE   LYS  63          2HE       LYS  63  -5.991 -19.862   4.203
  494   2HE   LYS  63          1HE       LYS  63  -4.913 -19.056   5.340
  495   1HZ   LYS  63          1HZ       LYS  63  -7.701 -18.151   5.026
  496   2HZ   LYS  63          3HZ       LYS  63  -7.335 -19.472   6.019
  497   3HZ   LYS  63          2HZ       LYS  63  -6.661 -17.956   6.346
  498    HA   PRO  64           HA       PRO  64   1.170 -15.463   1.690
  499   1HB   PRO  64          2HB       PRO  64   2.246 -17.648   3.381
  500   2HB   PRO  64          1HB       PRO  64   3.007 -16.138   2.875
  501   1HG   PRO  64          2HG       PRO  64   2.149 -16.491   5.383
  502   2HG   PRO  64          1HG       PRO  64   2.028 -14.920   4.574
  503   1HD   PRO  64          2HD       PRO  64  -0.097 -16.943   5.118
  504   2HD   PRO  64          1HD       PRO  64  -0.192 -15.170   5.133
  505    H    GLY  65           H        GLY  65   1.966 -16.829   0.049
  506   1HA   GLY  65          2HA       GLY  65   0.379 -18.464  -1.311
  507   2HA   GLY  65          1HA       GLY  65   0.970 -19.569  -0.078
  508    HA   PRO  66           HA       PRO  66   4.157 -20.129  -3.182
  509   1HB   PRO  66          2HB       PRO  66   3.291 -20.033  -5.730
  510   2HB   PRO  66          1HB       PRO  66   2.814 -21.321  -4.620
  511   1HG   PRO  66          2HG       PRO  66   1.280 -18.930  -5.512
  512   2HG   PRO  66          1HG       PRO  66   0.707 -20.568  -5.187
  513   1HD   PRO  66          2HD       PRO  66   0.479 -18.407  -3.470
  514   2HD   PRO  66          1HD       PRO  66   0.379 -20.109  -3.004
  515    H    ASN  67           H        ASN  67   2.545 -17.866  -5.387
  516    HA   ASN  67           HA       ASN  67   4.985 -16.232  -5.371
  517   1HB   ASN  67          2HB       ASN  67   3.617 -15.273  -7.484
  518   2HB   ASN  67          1HB       ASN  67   4.710 -16.649  -7.592
  519   1HD2  ASN  67          2HD2      ASN  67   3.763 -18.787  -7.401
  520   2HD2  ASN  67          1HD2      ASN  67   2.157 -19.049  -7.982
  521    H    CYS  68           H        CYS  68   1.823 -16.268  -4.231
  522    HA   CYS  68           HA       CYS  68   1.402 -13.404  -4.349
  523   1HB   CYS  68          2HB       CYS  68  -0.298 -15.566  -4.189
  524   2HB   CYS  68          1HB       CYS  68  -0.328 -14.936  -2.546
  525    H    GLY  69           H        GLY  69   3.776 -14.001  -3.056
  526   1HA   GLY  69          1HA       GLY  69   3.219 -13.764  -0.187
  527   2HA   GLY  69          2HA       GLY  69   4.064 -12.437  -0.974
  528    H    PHE  70           H        PHE  70   4.798 -15.383  -2.416
  529    HA   PHE  70           HA       PHE  70   6.654 -16.692  -2.463
  530   1HB   PHE  70          2HB       PHE  70   7.605 -14.195  -2.394
  531   2HB   PHE  70          1HB       PHE  70   8.257 -14.766  -0.862
  532    HD1  PHE  70           HD1      PHE  70   7.971 -15.920  -4.399
  533    HD2  PHE  70           HD2      PHE  70  10.360 -15.666  -0.887
  534    HE1  PHE  70           HE1      PHE  70   9.837 -16.988  -5.596
  535    HE2  PHE  70           HE2      PHE  70  12.231 -16.734  -2.077
  536    HZ   PHE  70           HZ       PHE  70  11.971 -17.395  -4.434
  537    H    GLY  71           H        GLY  71   4.793 -16.826  -0.189
  538   1HA   GLY  71          1HA       GLY  71   6.258 -18.668   1.410
  539   2HA   GLY  71          2HA       GLY  71   4.611 -18.120   1.706
  540    H    LYS  72           H        LYS  72   5.895 -15.281   1.560
  541    HA   LYS  72           HA       LYS  72   7.417 -15.191   4.015
  542   1HB   LYS  72          2HB       LYS  72   6.568 -13.183   1.964
  543   2HB   LYS  72          1HB       LYS  72   7.103 -12.625   3.545
  544   1HG   LYS  72          2HG       LYS  72   9.247 -13.653   3.250
  545   2HG   LYS  72          1HG       LYS  72   8.720 -14.423   1.752
  546   1HD   LYS  72          2HD       LYS  72   8.907 -12.510   0.540
  547   2HD   LYS  72          1HD       LYS  72   8.471 -11.477   1.903
  548   1HE   LYS  72          2HE       LYS  72  10.648 -10.946   1.937
  549   2HE   LYS  72          1HE       LYS  72  10.851 -12.507   2.733
  550   1HZ   LYS  72          1HZ       LYS  72  11.040 -12.075  -0.198
  551   2HZ   LYS  72          3HZ       LYS  72  12.368 -12.182   0.845
  552   3HZ   LYS  72          2HZ       LYS  72  11.352 -13.517   0.629
  553    H    THR  73           H        THR  73   6.807 -13.834   5.834
  554    HA   THR  73           HA       THR  73   3.888 -13.696   6.210
  555    HB   THR  73           HB       THR  73   4.840 -13.876   8.756
  556    HG1  THR  73           HG1      THR  73   6.399 -15.522   8.764
  557   1HG2  THR  73          1HG2      THR  73   2.984 -15.140   7.499
  558   2HG2  THR  73          3HG2      THR  73   4.224 -16.350   7.171
  559   3HG2  THR  73          2HG2      THR  73   3.786 -15.965   8.836
  560    H    GLY  74           H        GLY  74   3.065 -11.806   6.880
  561   1HA   GLY  74          2HA       GLY  74   4.742  -9.863   8.254
  562   2HA   GLY  74          1HA       GLY  74   3.009  -9.738   7.979
  563    H    ILE  75           H        ILE  75   3.882  -7.464   7.493
  564    HA   ILE  75           HA       ILE  75   3.712  -7.059   4.696
  565    HB   ILE  75           HB       ILE  75   4.596  -5.072   6.791
  566   1HG1  ILE  75          1HG1      ILE  75   1.943  -6.157   6.015
  567   2HG1  ILE  75          2HG1      ILE  75   2.496  -5.542   7.569
  568   1HG2  ILE  75          1HG2      ILE  75   4.808  -4.785   4.127
  569   2HG2  ILE  75          3HG2      ILE  75   3.155  -4.218   4.366
  570   3HG2  ILE  75          2HG2      ILE  75   4.485  -3.448   5.230
  571   1HD1  ILE  75          2HD1      ILE  75   2.340  -3.244   6.633
  572   2HD1  ILE  75          1HD1      ILE  75   1.606  -3.942   5.189
  573   3HD1  ILE  75          3HD1      ILE  75   0.800  -4.094   6.749
  574    H    ILE  76           H        ILE  76   5.298  -7.751   3.420
  575    HA   ILE  76           HA       ILE  76   8.068  -7.635   4.197
  576    HB   ILE  76           HB       ILE  76   6.932  -8.310   1.483
  577   1HG1  ILE  76          2HG1      ILE  76   5.901  -9.869   2.904
  578   2HG1  ILE  76          1HG1      ILE  76   7.343 -10.708   2.340
  579   1HG2  ILE  76          1HG2      ILE  76   9.528  -7.862   2.207
  580   2HG2  ILE  76          3HG2      ILE  76   9.385  -9.611   2.385
  581   3HG2  ILE  76          2HG2      ILE  76   9.006  -8.847   0.841
  582   1HD1  ILE  76          3HD1      ILE  76   8.459  -9.950   4.470
  583   2HD1  ILE  76          2HD1      ILE  76   6.857  -9.455   5.019
  584   3HD1  ILE  76          1HD1      ILE  76   7.175 -11.147   4.641
  585    H    ASP  77           H        ASP  77   8.380  -5.382   4.484
  586    HA   ASP  77           HA       ASP  77   8.349  -3.787   2.013
  587   1HB   ASP  77          2HB       ASP  77   7.114  -2.553   3.532
  588   2HB   ASP  77          1HB       ASP  77   8.067  -3.095   4.908
  589    H    TYR  78           H        TYR  78  10.200  -3.067   1.146
  590    HA   TYR  78           HA       TYR  78  12.696  -3.811   2.482
  591   1HB   TYR  78          2HB       TYR  78  12.144  -2.998  -0.379
  592   2HB   TYR  78          1HB       TYR  78  13.730  -3.425   0.253
  593    HD1  TYR  78           HD1      TYR  78  10.284  -4.891   0.316
  594    HD2  TYR  78           HD2      TYR  78  14.445  -5.542  -0.286
  595    HE1  TYR  78           HE1      TYR  78   9.836  -7.258  -0.177
  596    HE2  TYR  78           HE2      TYR  78  14.009  -7.912  -0.781
  597    HH   TYR  78           HH       TYR  78  10.960  -9.119  -1.451
  598    H    GLY  79           H        GLY  79  10.785  -1.224   2.520
  599   1HA   GLY  79          2HA       GLY  79  12.958   0.559   3.199
  600   2HA   GLY  79          1HA       GLY  79  11.235   0.903   3.341
  601    H    ILE  80           H        ILE  80  12.255   3.007   2.472
  602    HA   ILE  80           HA       ILE  80  11.350   3.418  -0.140
  603    HB   ILE  80           HB       ILE  80  13.378   5.130   1.293
  604   1HG1  ILE  80          1HG1      ILE  80  10.420   5.606   1.399
  605   2HG1  ILE  80          2HG1      ILE  80  11.157   4.470   2.523
  606   1HG2  ILE  80          2HG2      ILE  80  13.058   5.676  -1.060
  607   2HG2  ILE  80          1HG2      ILE  80  11.317   5.792  -0.806
  608   3HG2  ILE  80          3HG2      ILE  80  12.401   6.943  -0.025
  609   1HD1  ILE  80          2HD1      ILE  80  12.167   7.274   2.222
  610   2HD1  ILE  80          1HD1      ILE  80  10.840   6.861   3.308
  611   3HD1  ILE  80          3HD1      ILE  80  12.431   6.140   3.546
  612    H    ARG  81           H        ARG  81  12.195   2.689  -1.970
  613    HA   ARG  81           HA       ARG  81  15.006   1.976  -2.116
  614   1HB   ARG  81          2HB       ARG  81  13.017   1.769  -4.365
  615   2HB   ARG  81          1HB       ARG  81  14.481   0.827  -4.110
  616   1HG   ARG  81          2HG       ARG  81  12.651   0.517  -1.903
  617   2HG   ARG  81          1HG       ARG  81  11.883   0.110  -3.439
  618   1HD   ARG  81          2HD       ARG  81  14.420  -1.045  -2.296
  619   2HD   ARG  81          1HD       ARG  81  12.885  -1.875  -2.550
  620    HE   ARG  81           HE       ARG  81  14.900  -1.285  -4.537
  621   1HH1  ARG  81          2HH1      ARG  81  11.590  -2.178  -3.924
  622   2HH1  ARG  81          1HH1      ARG  81  11.352  -2.876  -5.490
  623   1HH2  ARG  81          1HH2      ARG  81  14.597  -2.202  -6.604
  624   2HH2  ARG  81          2HH2      ARG  81  13.062  -2.890  -7.015
  625    H    LEU  82           H        LEU  82  13.968   4.821  -2.037
  626    HA   LEU  82           HA       LEU  82  14.414   6.837  -2.996
  627   1HB   LEU  82          2HB       LEU  82  16.742   5.416  -2.903
  628   2HB   LEU  82          1HB       LEU  82  16.671   5.854  -4.597
  629    HG   LEU  82           HG       LEU  82  17.985   7.472  -3.345
  630   1HD1  LEU  82          3HD1      LEU  82  15.385   8.320  -4.535
  631   2HD1  LEU  82          2HD1      LEU  82  16.440   9.526  -3.800
  632   3HD1  LEU  82          1HD1      LEU  82  17.027   8.541  -5.140
  633   1HD2  LEU  82          1HD2      LEU  82  15.708   7.311  -1.511
  634   2HD2  LEU  82          3HD2      LEU  82  17.394   7.728  -1.200
  635   3HD2  LEU  82          2HD2      LEU  82  16.283   8.950  -1.820
  636    H    ASN  83           H        ASN  83  12.558   5.199  -4.384
  637    HA   ASN  83           HA       ASN  83  12.760   6.423  -7.018
  638   1HB   ASN  83          2HB       ASN  83  13.595   3.850  -6.796
  639   2HB   ASN  83          1HB       ASN  83  11.880   3.602  -7.110
  640   1HD2  ASN  83          1HD2      ASN  83  14.057   6.128  -8.277
  641   2HD2  ASN  83          2HD2      ASN  83  13.867   5.763  -9.955
  642    H    ARG  84           H        ARG  84  11.085   7.603  -5.646
  643    HA   ARG  84           HA       ARG  84   8.603   6.391  -5.060
  644   1HB   ARG  84          2HB       ARG  84   9.593   9.197  -5.303
  645   2HB   ARG  84          1HB       ARG  84   7.856   8.924  -5.268
  646   1HG   ARG  84          2HG       ARG  84   8.146   9.125  -3.051
  647   2HG   ARG  84          1HG       ARG  84   8.598   7.424  -3.168
  648   1HD   ARG  84          2HD       ARG  84  10.796   7.840  -2.802
  649   2HD   ARG  84          1HD       ARG  84  10.750   9.394  -3.633
  650    HE   ARG  84           HE       ARG  84   9.788   8.958  -0.880
  651   1HH1  ARG  84          1HH1      ARG  84  11.219  10.955  -3.350
  652   2HH1  ARG  84          2HH1      ARG  84  11.475  12.303  -2.293
  653   1HH2  ARG  84          1HH2      ARG  84  10.124  10.728   0.520
  654   2HH2  ARG  84          2HH2      ARG  84  10.854  12.174  -0.094
  655    H    SER  85           H        SER  85  10.013   6.933  -7.995
  656    HA   SER  85           HA       SER  85   7.558   7.589  -9.418
  657   1HB   SER  85          2HB       SER  85   9.881   8.528  -9.998
  658   2HB   SER  85          1HB       SER  85  10.212   6.941 -10.691
  659    HG   SER  85           HG       SER  85   8.998   8.933 -11.855
  660    H    GLU  86           H        GLU  86   8.386   4.926  -8.005
  661    HA   GLU  86           HA       GLU  86   8.465   2.961 -10.050
  662   1HB   GLU  86          2HB       GLU  86   7.998   2.941  -7.098
  663   2HB   GLU  86          1HB       GLU  86   7.608   1.500  -8.026
  664   1HG   GLU  86          2HG       GLU  86  10.245   2.632  -8.600
  665   2HG   GLU  86          1HG       GLU  86  10.035   2.056  -6.948
  666    H    ARG  87           H        ARG  87   6.607   1.104  -9.657
  667    HA   ARG  87           HA       ARG  87   3.999   2.428  -9.870
  668   1HB   ARG  87          2HB       ARG  87   4.737   0.215 -11.757
  669   2HB   ARG  87          1HB       ARG  87   3.419   1.371 -11.873
  670   1HG   ARG  87          2HG       ARG  87   4.729   2.991 -12.776
  671   2HG   ARG  87          1HG       ARG  87   6.178   2.445 -11.930
  672   1HD   ARG  87          2HD       ARG  87   6.122   0.413 -13.450
  673   2HD   ARG  87          1HD       ARG  87   4.912   1.279 -14.396
  674    HE   ARG  87           HE       ARG  87   7.401   2.691 -13.905
  675   1HH1  ARG  87          2HH1      ARG  87   5.518   0.710 -16.063
  676   2HH1  ARG  87          1HH1      ARG  87   6.429   1.148 -17.469
  677   1HH2  ARG  87          2HH2      ARG  87   8.608   3.275 -15.750
  678   2HH2  ARG  87          1HH2      ARG  87   8.187   2.608 -17.291
  679    H    TRP  88           H        TRP  88   2.742   1.593  -8.392
  680    HA   TRP  88           HA       TRP  88   2.454  -1.282  -8.135
  681   1HB   TRP  88          2HB       TRP  88   2.962   0.303  -5.624
  682   2HB   TRP  88          1HB       TRP  88   2.941  -1.445  -5.829
  683    HD1  TRP  88           HD1      TRP  88   5.253   1.472  -5.768
  684    HE1  TRP  88           HE1      TRP  88   7.649   0.709  -6.325
  685    HE3  TRP  88           HE3      TRP  88   4.234  -3.251  -7.436
  686    HZ2  TRP  88           HZ2      TRP  88   8.934  -1.592  -7.336
  687    HZ3  TRP  88           HZ3      TRP  88   6.102  -4.669  -8.178
  688    HH2  TRP  88           HH2      TRP  88   8.403  -3.856  -8.129
  689    H    ASP  89           H        ASP  89   1.278  -0.359  -5.352
  690    HA   ASP  89           HA       ASP  89  -1.264   0.644  -6.452
  691   1HB   ASP  89          2HB       ASP  89  -1.680  -0.748  -3.979
  692   2HB   ASP  89          1HB       ASP  89  -2.346  -1.106  -5.571
  693    H    ALA  90           H        ALA  90  -2.635   1.222  -4.221
  694    HA   ALA  90           HA       ALA  90  -0.933   2.846  -2.493
  695   1HB   ALA  90          2HB       ALA  90  -1.573   4.265  -4.431
  696   2HB   ALA  90          1HB       ALA  90  -3.263   4.053  -3.976
  697   3HB   ALA  90          3HB       ALA  90  -2.152   4.876  -2.881
  698    H    TYR  91           H        TYR  91  -1.681   2.967  -0.435
  699    HA   TYR  91           HA       TYR  91  -4.225   1.637   0.132
  700   1HB   TYR  91          2HB       TYR  91  -1.771   2.234   1.765
  701   2HB   TYR  91          1HB       TYR  91  -3.288   1.810   2.540
  702    HD1  TYR  91           HD1      TYR  91  -4.426  -0.398   1.586
  703    HD2  TYR  91           HD2      TYR  91  -0.286   0.542   1.280
  704    HE1  TYR  91           HE1      TYR  91  -3.911  -2.782   1.266
  705    HE2  TYR  91           HE2      TYR  91   0.238  -1.839   0.966
  706    HH   TYR  91           HH       TYR  91  -1.969  -4.113   0.141
  707    H    CYS  92           H        CYS  92  -5.894   3.029   0.132
  708    HA   CYS  92           HA       CYS  92  -5.511   5.770   0.996
  709   1HB   CYS  92          2HB       CYS  92  -7.685   4.255  -0.376
  710   2HB   CYS  92          1HB       CYS  92  -8.106   5.737   0.474
  711    H    TYR  93           H        TYR  93  -6.255   6.670   2.836
  712    HA   TYR  93           HA       TYR  93  -7.928   5.085   4.638
  713   1HB   TYR  93          2HB       TYR  93  -5.636   4.619   5.305
  714   2HB   TYR  93          1HB       TYR  93  -5.278   6.332   5.371
  715    HD1  TYR  93           HD1      TYR  93  -7.077   7.659   6.955
  716    HD2  TYR  93           HD2      TYR  93  -5.908   3.586   7.333
  717    HE1  TYR  93           HE1      TYR  93  -7.725   7.700   9.327
  718    HE2  TYR  93           HE2      TYR  93  -6.552   3.617   9.706
  719    HH   TYR  93           HH       TYR  93  -6.763   5.840  11.529
  720    H    ASN  94           H        ASN  94  -9.391   6.279   5.743
  721    HA   ASN  94           HA       ASN  94  -9.058   9.200   5.778
  722   1HB   ASN  94          2HB       ASN  94 -11.449   7.628   4.837
  723   2HB   ASN  94          1HB       ASN  94 -11.607   9.286   5.412
  724   1HD2  ASN  94          2HD2      ASN  94 -12.291   9.995   3.397
  725   2HD2  ASN  94          1HD2      ASN  94 -11.203  10.169   2.066
  726    HA   PRO  95           HA       PRO  95 -10.030   9.266  10.066
  727   1HB   PRO  95          2HB       PRO  95 -12.261  11.113   9.324
  728   2HB   PRO  95          1HB       PRO  95 -11.020  11.295  10.570
  729   1HG   PRO  95          2HG       PRO  95 -10.842  12.624   8.266
  730   2HG   PRO  95          1HG       PRO  95  -9.399  11.949   9.044
  731   1HD   PRO  95          2HD       PRO  95 -10.873  11.005   6.639
  732   2HD   PRO  95          1HD       PRO  95  -9.146  10.885   7.027
  733    H    HIS  96           H        HIS  96 -12.671   8.938   7.768
  734    HA   HIS  96           HA       HIS  96 -14.045   7.154   9.666
  735   1HB   HIS  96          2HB       HIS  96 -15.104   9.292   7.874
  736   2HB   HIS  96          1HB       HIS  96 -16.087   7.849   8.102
  737    HD1  HIS  96           HD1      HIS  96 -17.400   7.680  10.235
  738    HD2  HIS  96           HD2      HIS  96 -14.594  10.744  10.323
  739    HE1  HIS  96           HE1      HIS  96 -17.875   8.967  12.343
  740    HE2  HIS  96           HE2      HIS  96 -16.111  10.764  12.418
  741    H    ALA  97           H        ALA  97 -13.014   7.770   6.391
  742    HA   ALA  97           HA       ALA  97 -13.235   6.508   4.457
  743   1HB   ALA  97          1HB       ALA  97 -11.170   5.705   4.993
  744   2HB   ALA  97          2HB       ALA  97 -12.077   4.191   5.010
  745   3HB   ALA  97          3HB       ALA  97 -11.713   5.018   6.524
  746    H    LYS  98           H        LYS  98 -15.704   6.508   5.000
  747    HA   LYS  98           HA       LYS  98 -16.613   3.728   5.326
  748   1HB   LYS  98          2HB       LYS  98 -17.459   5.514   6.927
  749   2HB   LYS  98          1HB       LYS  98 -18.323   6.202   5.558
  750   1HG   LYS  98          2HG       LYS  98 -19.626   4.201   5.303
  751   2HG   LYS  98          1HG       LYS  98 -18.678   3.380   6.545
  752   1HD   LYS  98          2HD       LYS  98 -19.588   4.671   8.264
  753   2HD   LYS  98          1HD       LYS  98 -20.150   5.920   7.152
  754   1HE   LYS  98          2HE       LYS  98 -22.097   4.785   7.754
  755   2HE   LYS  98          1HE       LYS  98 -21.674   4.105   6.182
  756   1HZ   LYS  98          2HZ       LYS  98 -20.371   2.486   7.910
  757   2HZ   LYS  98          1HZ       LYS  98 -21.793   2.830   8.758
  758   3HZ   LYS  98          3HZ       LYS  98 -21.874   2.151   7.210

  No H/Q in entry =         758
  Start of MODEL   15
    1    H1   GLY   1          1H        GLY   1  -9.526   3.138   8.949
    2    H2   GLY   1          3H        GLY   1  -9.936   4.776   8.844
    3    H3   GLY   1          2H        GLY   1 -11.034   3.669   9.499
    4   1HA   GLY   1          1HA       GLY   1 -11.475   4.428   7.143
    5   2HA   GLY   1          2HA       GLY   1 -11.512   2.701   7.452
    6    H    VAL   2           H        VAL   2  -8.968   1.934   7.469
    7    HA   VAL   2           HA       VAL   2  -7.598   3.029   5.144
    8    HB   VAL   2           HB       VAL   2  -6.094   2.555   6.881
    9   1HG1  VAL   2          2HG1      VAL   2  -7.960   0.542   7.572
   10   2HG1  VAL   2          1HG1      VAL   2  -6.380  -0.222   7.391
   11   3HG1  VAL   2          3HG1      VAL   2  -6.583   1.131   8.505
   12   1HG2  VAL   2          3HG2      VAL   2  -6.087   0.544   4.692
   13   2HG2  VAL   2          2HG2      VAL   2  -4.948   1.845   5.038
   14   3HG2  VAL   2          1HG2      VAL   2  -4.922   0.371   6.004
   15    H    TYR   3           H        TYR   3  -7.345   2.011   3.212
   16    HA   TYR   3           HA       TYR   3  -8.093  -0.761   2.899
   17   1HB   TYR   3          2HB       TYR   3  -9.771  -0.278   1.098
   18   2HB   TYR   3          1HB       TYR   3 -10.293   0.138   2.724
   19    HD1  TYR   3           HD1      TYR   3 -10.299   2.548   3.428
   20    HD2  TYR   3           HD2      TYR   3  -9.632   1.357  -0.602
   21    HE1  TYR   3           HE1      TYR   3 -10.828   4.827   2.671
   22    HE2  TYR   3           HE2      TYR   3 -10.158   3.632  -1.368
   23    HH   TYR   3           HH       TYR   3 -10.365   6.279   0.735
   24    H    HIS   4           H        HIS   4  -7.967  -1.424   0.540
   25    HA   HIS   4           HA       HIS   4  -5.492  -0.328  -0.536
   26   1HB   HIS   4          2HB       HIS   4  -5.972  -2.829  -0.202
   27   2HB   HIS   4          1HB       HIS   4  -7.008  -2.698  -1.618
   28    HD1  HIS   4           HD1      HIS   4  -3.747  -3.701  -0.785
   29    HD2  HIS   4           HD2      HIS   4  -5.339  -1.419  -3.854
   30    HE1  HIS   4           HE1      HIS   4  -2.028  -3.751  -2.618
   31    HE2  HIS   4           HE2      HIS   4  -3.067  -2.457  -4.511
   32    H    ARG   5           H        ARG   5  -5.242   0.221  -2.756
   33    HA   ARG   5           HA       ARG   5  -7.587   0.569  -4.408
   34   1HB   ARG   5          2HB       ARG   5  -6.338   2.800  -2.927
   35   2HB   ARG   5          1HB       ARG   5  -6.674   3.107  -4.624
   36   1HG   ARG   5          2HG       ARG   5  -8.848   1.905  -3.015
   37   2HG   ARG   5          1HG       ARG   5  -8.438   3.592  -2.698
   38   1HD   ARG   5          2HD       ARG   5  -8.506   3.652  -5.375
   39   2HD   ARG   5          1HD       ARG   5  -9.654   2.345  -5.088
   40    HE   ARG   5           HE       ARG   5  -9.933   5.077  -4.017
   41   1HH1  ARG   5          2HH1      ARG   5 -11.287   2.066  -5.123
   42   2HH1  ARG   5          1HH1      ARG   5 -12.929   2.600  -4.973
   43   1HH2  ARG   5          2HH2      ARG   5 -12.089   5.790  -3.815
   44   2HH2  ARG   5          1HH2      ARG   5 -13.384   4.717  -4.230
   45    H    GLU   6           H        GLU   6  -7.095   0.960  -6.586
   46    HA   GLU   6           HA       GLU   6  -4.236   0.701  -7.254
   47   1HB   GLU   6          2HB       GLU   6  -4.813  -0.571  -9.173
   48   2HB   GLU   6          1HB       GLU   6  -5.733  -1.246  -7.837
   49   1HG   GLU   6          2HG       GLU   6  -6.812   0.690  -9.871
   50   2HG   GLU   6          1HG       GLU   6  -7.040  -1.058  -9.908
   51    H    ALA   7           H        ALA   7  -4.309   1.208  -9.925
   52    HA   ALA   7           HA       ALA   7  -4.922   4.074  -9.954
   53   1HB   ALA   7          2HB       ALA   7  -2.995   4.332 -11.028
   54   2HB   ALA   7          1HB       ALA   7  -2.687   2.614 -10.773
   55   3HB   ALA   7          3HB       ALA   7  -3.462   3.160 -12.261
   56    H    ARG   8           H        ARG   8  -5.911   5.051 -11.790
   57    HA   ARG   8           HA       ARG   8  -8.185   3.711 -12.738
   58   1HB   ARG   8          2HB       ARG   8  -6.830   6.177 -13.848
   59   2HB   ARG   8          1HB       ARG   8  -8.458   5.648 -14.248
   60   1HG   ARG   8          2HG       ARG   8  -8.086   5.877 -11.390
   61   2HG   ARG   8          1HG       ARG   8  -7.725   7.388 -12.226
   62   1HD   ARG   8          2HD       ARG   8 -10.010   6.615 -13.478
   63   2HD   ARG   8          1HD       ARG   8 -10.284   6.001 -11.848
   64    HE   ARG   8           HE       ARG   8  -9.793   8.340 -11.098
   65   1HH1  ARG   8          1HH1      ARG   8 -10.994   7.679 -14.299
   66   2HH1  ARG   8          2HH1      ARG   8 -11.727   9.237 -14.486
   67   1HH2  ARG   8          1HH2      ARG   8 -10.754  10.395 -11.334
   68   2HH2  ARG   8          2HH2      ARG   8 -11.590  10.781 -12.801
   69    H    SER   9           H        SER   9  -4.945   3.686 -13.828
   70    HA   SER   9           HA       SER   9  -5.665   2.748 -16.499
   71   1HB   SER   9          2HB       SER   9  -3.184   3.767 -15.211
   72   2HB   SER   9          1HB       SER   9  -2.987   2.595 -16.514
   73    HG   SER   9           HG       SER   9  -4.585   4.923 -16.744
   74    H    GLY  10           H        GLY  10  -4.622   1.559 -13.424
   75   1HA   GLY  10          2HA       GLY  10  -3.932  -1.056 -14.558
   76   2HA   GLY  10          1HA       GLY  10  -5.291  -0.967 -13.447
   77    H    LYS  11           H        LYS  11  -3.885  -2.558 -12.304
   78    HA   LYS  11           HA       LYS  11  -2.737  -1.401 -10.029
   79   1HB   LYS  11          2HB       LYS  11  -3.677  -3.705 -10.163
   80   2HB   LYS  11          1HB       LYS  11  -2.263  -4.192 -11.089
   81   1HG   LYS  11          2HG       LYS  11  -0.820  -3.830  -9.241
   82   2HG   LYS  11          1HG       LYS  11  -2.096  -3.025  -8.324
   83   1HD   LYS  11          2HD       LYS  11  -2.645  -4.983  -7.433
   84   2HD   LYS  11          1HD       LYS  11  -3.095  -5.558  -9.040
   85   1HE   LYS  11          2HE       LYS  11  -0.531  -5.974  -9.293
   86   2HE   LYS  11          1HE       LYS  11  -0.546  -5.941  -7.530
   87   1HZ   LYS  11          3HZ       LYS  11  -2.379  -7.648  -7.699
   88   2HZ   LYS  11          2HZ       LYS  11  -1.965  -7.813  -9.330
   89   3HZ   LYS  11          1HZ       LYS  11  -0.830  -8.173  -8.130
   90    H    TYR  12           H        TYR  12  -0.526  -1.596  -9.254
   91    HA   TYR  12           HA       TYR  12   1.676  -1.053  -9.423
   92   1HB   TYR  12          2HB       TYR  12   1.341  -3.088 -11.611
   93   2HB   TYR  12          1HB       TYR  12   2.906  -2.348 -11.291
   94    HD1  TYR  12           HD1      TYR  12   1.022  -2.603  -8.305
   95    HD2  TYR  12           HD2      TYR  12   3.450  -4.874 -10.963
   96    HE1  TYR  12           HE1      TYR  12   1.436  -4.240  -6.521
   97    HE2  TYR  12           HE2      TYR  12   3.868  -6.518  -9.183
   98    HH   TYR  12           HH       TYR  12   2.293  -6.249  -6.024
   99    H    LYS  13           H        LYS  13   0.517   1.063 -10.164
  100    HA   LYS  13           HA       LYS  13   2.091   2.098 -12.350
  101   1HB   LYS  13          2HB       LYS  13  -0.885   1.783 -12.536
  102   2HB   LYS  13          1HB       LYS  13  -0.099   3.144 -13.325
  103   1HG   LYS  13          2HG       LYS  13   1.441   1.310 -14.346
  104   2HG   LYS  13          1HG       LYS  13   0.110   0.231 -13.921
  105   1HD   LYS  13          2HD       LYS  13  -1.269   2.207 -15.111
  106   2HD   LYS  13          1HD       LYS  13   0.260   2.342 -15.982
  107   1HE   LYS  13          2HE       LYS  13   0.140  -0.053 -16.527
  108   2HE   LYS  13          1HE       LYS  13  -1.411  -0.152 -15.695
  109   1HZ   LYS  13          3HZ       LYS  13  -1.318   1.924 -17.677
  110   2HZ   LYS  13          2HZ       LYS  13  -1.071   0.383 -18.327
  111   3HZ   LYS  13          1HZ       LYS  13  -2.472   0.709 -17.437
  112    H    LEU  14           H        LEU  14   0.860   2.365  -9.373
  113    HA   LEU  14           HA       LEU  14   0.582   5.292  -9.449
  114   1HB   LEU  14          2HB       LEU  14  -0.440   3.151  -7.651
  115   2HB   LEU  14          1HB       LEU  14  -0.134   4.730  -6.957
  116    HG   LEU  14           HG       LEU  14  -1.821   4.497  -9.419
  117   1HD1  LEU  14          2HD1      LEU  14  -2.462   2.968  -7.311
  118   2HD1  LEU  14          1HD1      LEU  14  -3.202   4.490  -6.812
  119   3HD1  LEU  14          3HD1      LEU  14  -3.659   3.748  -8.345
  120   1HD2  LEU  14          1HD2      LEU  14  -1.261   6.487  -7.309
  121   2HD2  LEU  14          3HD2      LEU  14  -1.601   6.713  -9.025
  122   3HD2  LEU  14          2HD2      LEU  14  -2.921   6.405  -7.897
  123    H    THR  15           H        THR  15   2.123   6.546  -8.660
  124    HA   THR  15           HA       THR  15   4.352   5.295  -7.221
  125    HB   THR  15           HB       THR  15   5.750   6.930  -8.027
  126    HG1  THR  15           HG1      THR  15   4.109   8.897  -8.874
  127   1HG2  THR  15          3HG2      THR  15   4.219   5.777  -9.896
  128   2HG2  THR  15          2HG2      THR  15   3.810   7.465 -10.203
  129   3HG2  THR  15          1HG2      THR  15   5.490   6.936 -10.287
  130    H    TYR  16           H        TYR  16   5.155   6.207  -5.279
  131    HA   TYR  16           HA       TYR  16   3.478   6.767  -3.273
  132   1HB   TYR  16          2HB       TYR  16   5.860   6.535  -2.887
  133   2HB   TYR  16          1HB       TYR  16   6.173   8.069  -3.692
  134    HD1  TYR  16           HD1      TYR  16   4.485   6.571  -0.737
  135    HD2  TYR  16           HD2      TYR  16   6.149  10.078  -2.490
  136    HE1  TYR  16           HE1      TYR  16   4.262   7.746   1.412
  137    HE2  TYR  16           HE2      TYR  16   5.932  11.260  -0.342
  138    HH   TYR  16           HH       TYR  16   5.058  11.177   1.725
  139    H    ALA  17           H        ALA  17   4.689   9.162  -5.568
  140    HA   ALA  17           HA       ALA  17   3.445  11.390  -4.313
  141   1HB   ALA  17          2HB       ALA  17   4.415  11.082  -7.152
  142   2HB   ALA  17          1HB       ALA  17   4.011  12.602  -6.354
  143   3HB   ALA  17          3HB       ALA  17   5.375  11.641  -5.781
  144    H    GLU  18           H        GLU  18   2.514   9.286  -7.028
  145    HA   GLU  18           HA       GLU  18   0.106  10.722  -7.578
  146   1HB   GLU  18          2HB       GLU  18   0.885   7.906  -8.354
  147   2HB   GLU  18          1HB       GLU  18  -0.403   8.860  -9.068
  148   1HG   GLU  18          2HG       GLU  18   1.166  10.407 -10.000
  149   2HG   GLU  18          1HG       GLU  18   2.500   9.633  -9.144
  150    H    ALA  19           H        ALA  19   0.798   7.560  -6.118
  151    HA   ALA  19           HA       ALA  19  -1.684   6.707  -5.413
  152   1HB   ALA  19          3HB       ALA  19  -0.282   5.125  -4.693
  153   2HB   ALA  19          1HB       ALA  19  -0.203   6.045  -3.191
  154   3HB   ALA  19          2HB       ALA  19   1.024   6.281  -4.436
  155    H    LYS  20           H        LYS  20   0.393   8.839  -3.459
  156    HA   LYS  20           HA       LYS  20  -1.473   9.255  -1.388
  157   1HB   LYS  20          2HB       LYS  20   1.044   9.742  -1.405
  158   2HB   LYS  20          1HB       LYS  20   0.632  11.243  -2.219
  159   1HG   LYS  20          2HG       LYS  20  -0.805  11.848  -0.306
  160   2HG   LYS  20          1HG       LYS  20  -0.286  10.375   0.515
  161   1HD   LYS  20          2HD       LYS  20   2.092  11.230   0.206
  162   2HD   LYS  20          1HD       LYS  20   1.363  12.777  -0.229
  163   1HE   LYS  20          2HE       LYS  20   0.801  13.249   1.893
  164   2HE   LYS  20          1HE       LYS  20   0.305  11.592   2.232
  165   1HZ   LYS  20          1HZ       LYS  20   3.076  11.602   1.925
  166   2HZ   LYS  20          3HZ       LYS  20   2.687  12.883   2.960
  167   3HZ   LYS  20          2HZ       LYS  20   2.186  11.312   3.334
  168    H    ALA  21           H        ALA  21  -0.546  11.372  -4.098
  169    HA   ALA  21           HA       ALA  21  -2.195  13.488  -3.757
  170   1HB   ALA  21          2HB       ALA  21  -2.364  13.602  -6.273
  171   2HB   ALA  21          3HB       ALA  21  -1.503  12.063  -6.314
  172   3HB   ALA  21          1HB       ALA  21  -0.732  13.487  -5.616
  173    H    VAL  22           H        VAL  22  -3.137  10.320  -4.982
  174    HA   VAL  22           HA       VAL  22  -5.797  11.024  -5.669
  175    HB   VAL  22           HB       VAL  22  -4.377   8.428  -5.222
  176   1HG1  VAL  22          3HG1      VAL  22  -7.353   8.747  -5.588
  177   2HG1  VAL  22          2HG1      VAL  22  -6.473   7.229  -5.768
  178   3HG1  VAL  22          1HG1      VAL  22  -6.525   8.037  -4.201
  179   1HG2  VAL  22          1HG2      VAL  22  -4.268   9.752  -7.370
  180   2HG2  VAL  22          3HG2      VAL  22  -4.790   8.074  -7.525
  181   3HG2  VAL  22          2HG2      VAL  22  -5.978   9.376  -7.586
  182    H    CYS  23           H        CYS  23  -4.457   9.335  -2.841
  183    HA   CYS  23           HA       CYS  23  -6.903   9.122  -1.460
  184   1HB   CYS  23          2HB       CYS  23  -4.032   9.070  -0.529
  185   2HB   CYS  23          1HB       CYS  23  -5.390   8.805   0.555
  186    H    GLU  24           H        GLU  24  -4.220  11.434  -1.140
  187    HA   GLU  24           HA       GLU  24  -5.490  13.048   0.811
  188   1HB   GLU  24          2HB       GLU  24  -3.046  13.038   0.417
  189   2HB   GLU  24          1HB       GLU  24  -3.308  13.799  -1.146
  190   1HG   GLU  24          2HG       GLU  24  -4.122  15.792  -0.122
  191   2HG   GLU  24          1HG       GLU  24  -4.139  15.030   1.467
  192    H    PHE  25           H        PHE  25  -5.947  12.682  -2.530
  193    HA   PHE  25           HA       PHE  25  -6.692  15.219  -3.384
  194   1HB   PHE  25          2HB       PHE  25  -6.661  12.701  -4.490
  195   2HB   PHE  25          1HB       PHE  25  -8.382  13.059  -4.424
  196    HD1  PHE  25           HD1      PHE  25  -5.148  14.498  -5.551
  197    HD2  PHE  25           HD2      PHE  25  -9.365  14.322  -6.089
  198    HE1  PHE  25           HE1      PHE  25  -4.936  15.846  -7.598
  199    HE2  PHE  25           HE2      PHE  25  -9.163  15.672  -8.138
  200    HZ   PHE  25           HZ       PHE  25  -6.947  16.435  -8.896
  201    H    GLU  26           H        GLU  26  -8.672  12.683  -1.906
  202    HA   GLU  26           HA       GLU  26 -10.823  14.646  -1.524
  203   1HB   GLU  26          2HB       GLU  26 -11.021  11.651  -1.238
  204   2HB   GLU  26          1HB       GLU  26 -12.344  12.805  -1.334
  205   1HG   GLU  26          2HG       GLU  26 -11.651  13.351  -3.636
  206   2HG   GLU  26          1HG       GLU  26 -10.410  12.105  -3.529
  207    H    GLY  27           H        GLY  27  -8.908  15.154   0.178
  208   1HA   GLY  27          1HA       GLY  27 -10.029  15.059   2.685
  209   2HA   GLY  27          2HA       GLY  27  -8.314  15.301   2.392
  210    H    GLY  28           H        GLY  28  -7.682  12.794   1.293
  211   1HA   GLY  28          2HA       GLY  28  -8.054  10.424   1.983
  212   2HA   GLY  28          1HA       GLY  28  -8.158  11.040   3.627
  213    H    HIS  29           H        HIS  29  -6.414   9.344   3.868
  214    HA   HIS  29           HA       HIS  29  -3.797  10.421   3.089
  215   1HB   HIS  29          2HB       HIS  29  -3.443   9.117   5.541
  216   2HB   HIS  29          1HB       HIS  29  -3.382  10.844   5.234
  217    HD1  HIS  29           HD1      HIS  29  -6.307  11.542   4.908
  218    HD2  HIS  29           HD2      HIS  29  -4.889   8.944   7.821
  219    HE1  HIS  29           HE1      HIS  29  -8.055  11.541   6.715
  220    HE2  HIS  29           HE2      HIS  29  -7.126  10.040   8.513
  221    H    LEU  30           H        LEU  30  -2.315   8.945   2.418
  222    HA   LEU  30           HA       LEU  30  -3.281   6.318   1.827
  223   1HB   LEU  30          2HB       LEU  30  -1.717   6.351   0.273
  224   2HB   LEU  30          1HB       LEU  30  -1.288   7.967   0.799
  225    HG   LEU  30           HG       LEU  30   0.139   6.435   2.549
  226   1HD1  LEU  30          3HD1      LEU  30  -0.634   4.424   1.218
  227   2HD1  LEU  30          2HD1      LEU  30   0.380   5.027  -0.092
  228   3HD1  LEU  30          1HD1      LEU  30   1.106   4.587   1.453
  229   1HD2  LEU  30          2HD2      LEU  30   0.671   7.947   0.095
  230   2HD2  LEU  30          1HD2      LEU  30   1.459   8.025   1.670
  231   3HD2  LEU  30          3HD2      LEU  30   1.922   6.775   0.515
  232    H    ALA  31           H        ALA  31  -3.228   4.632   3.070
  233    HA   ALA  31           HA       ALA  31  -2.435   4.583   5.685
  234   1HB   ALA  31          2HB       ALA  31  -3.176   2.556   3.706
  235   2HB   ALA  31          1HB       ALA  31  -2.207   1.954   5.050
  236   3HB   ALA  31          3HB       ALA  31  -3.730   2.786   5.366
  237    H    THR  32           H        THR  32  -0.734   3.388   6.781
  238    HA   THR  32           HA       THR  32   1.821   3.565   5.323
  239    HB   THR  32           HB       THR  32   2.926   4.058   7.348
  240    HG1  THR  32           HG1      THR  32   2.090   3.626   9.326
  241   1HG2  THR  32          2HG2      THR  32   0.628   5.587   6.584
  242   2HG2  THR  32          1HG2      THR  32   0.846   5.688   8.330
  243   3HG2  THR  32          3HG2      THR  32   2.162   6.146   7.250
  244    H    TYR  33           H        TYR  33   3.329   2.228   7.299
  245    HA   TYR  33           HA       TYR  33   2.869  -0.499   6.511
  246   1HB   TYR  33          2HB       TYR  33   5.146   0.091   6.661
  247   2HB   TYR  33          1HB       TYR  33   4.930   0.879   8.215
  248    HD1  TYR  33           HD1      TYR  33   4.562  -2.516   6.686
  249    HD2  TYR  33           HD2      TYR  33   5.683  -0.224  10.092
  250    HE1  TYR  33           HE1      TYR  33   5.270  -4.571   7.827
  251    HE2  TYR  33           HE2      TYR  33   6.400  -2.275  11.242
  252    HH   TYR  33           HH       TYR  33   5.676  -4.887  10.970
  253    H    LYS  34           H        LYS  34   3.501   0.793   9.740
  254    HA   LYS  34           HA       LYS  34   2.446  -1.237  11.230
  255   1HB   LYS  34          2HB       LYS  34   2.124   1.666  11.979
  256   2HB   LYS  34          1HB       LYS  34   2.282   0.292  13.061
  257   1HG   LYS  34          2HG       LYS  34   4.594   0.068  11.727
  258   2HG   LYS  34          1HG       LYS  34   4.348   1.812  11.611
  259   1HD   LYS  34          2HD       LYS  34   3.738   1.155  14.257
  260   2HD   LYS  34          1HD       LYS  34   5.185   0.223  13.868
  261   1HE   LYS  34          2HE       LYS  34   6.308   2.094  14.355
  262   2HE   LYS  34          1HE       LYS  34   5.757   2.667  12.781
  263   1HZ   LYS  34          2HZ       LYS  34   4.348   3.125  15.354
  264   2HZ   LYS  34          1HZ       LYS  34   5.305   4.264  14.550
  265   3HZ   LYS  34          3HZ       LYS  34   3.871   3.711  13.841
  266    H    GLN  35           H        GLN  35   0.726   1.426   9.683
  267    HA   GLN  35           HA       GLN  35  -1.788   0.956  10.882
  268   1HB   GLN  35          2HB       GLN  35  -1.023   2.256   8.263
  269   2HB   GLN  35          1HB       GLN  35  -2.658   2.242   8.903
  270   1HG   GLN  35          2HG       GLN  35  -1.873   3.442  10.896
  271   2HG   GLN  35          1HG       GLN  35  -0.252   3.493  10.205
  272   1HE2  GLN  35          1HE2      GLN  35  -1.178   5.839  10.832
  273   2HE2  GLN  35          2HE2      GLN  35  -1.728   6.728   9.457
  274    H    LEU  36           H        LEU  36  -0.467  -0.016   7.718
  275    HA   LEU  36           HA       LEU  36  -2.662  -1.498   6.840
  276   1HB   LEU  36          2HB       LEU  36  -0.026  -1.010   5.969
  277   2HB   LEU  36          1HB       LEU  36  -0.198  -2.753   6.036
  278    HG   LEU  36           HG       LEU  36  -0.712  -1.771   3.809
  279   1HD1  LEU  36          1HD1      LEU  36  -2.155  -3.706   5.273
  280   2HD1  LEU  36          3HD1      LEU  36  -3.321  -2.800   4.308
  281   3HD1  LEU  36          2HD1      LEU  36  -1.950  -3.586   3.526
  282   1HD2  LEU  36          2HD2      LEU  36  -2.866  -0.412   5.393
  283   2HD2  LEU  36          1HD2      LEU  36  -1.706   0.295   4.268
  284   3HD2  LEU  36          3HD2      LEU  36  -3.028  -0.702   3.662
  285    H    GLU  37           H        GLU  37  -0.289  -2.166   9.237
  286    HA   GLU  37           HA       GLU  37  -0.582  -5.002   9.310
  287   1HB   GLU  37          2HB       GLU  37   1.389  -3.780  10.213
  288   2HB   GLU  37          1HB       GLU  37   0.366  -3.137  11.488
  289   1HG   GLU  37          2HG       GLU  37  -0.136  -5.690  11.894
  290   2HG   GLU  37          1HG       GLU  37   1.432  -5.879  11.110
  291    H    ALA  38           H        ALA  38  -1.605  -2.502  11.609
  292    HA   ALA  38           HA       ALA  38  -3.265  -4.097  13.153
  293   1HB   ALA  38          1HB       ALA  38  -3.282  -2.208  14.318
  294   2HB   ALA  38          3HB       ALA  38  -2.672  -1.307  12.930
  295   3HB   ALA  38          2HB       ALA  38  -4.408  -1.527  13.144
  296    H    ALA  39           H        ALA  39  -3.699  -3.007   9.973
  297    HA   ALA  39           HA       ALA  39  -6.609  -3.280  10.055
  298   1HB   ALA  39          1HB       ALA  39  -4.826  -2.596   7.719
  299   2HB   ALA  39          2HB       ALA  39  -5.588  -1.413   8.782
  300   3HB   ALA  39          3HB       ALA  39  -6.584  -2.468   7.778
  301    H    ARG  40           H        ARG  40  -3.728  -4.881   9.027
  302    HA   ARG  40           HA       ARG  40  -4.944  -6.836   7.353
  303   1HB   ARG  40          2HB       ARG  40  -2.630  -6.383   7.030
  304   2HB   ARG  40          1HB       ARG  40  -2.282  -6.611   8.739
  305   1HG   ARG  40          2HG       ARG  40  -3.434  -9.006   7.682
  306   2HG   ARG  40          1HG       ARG  40  -2.090  -8.497   6.660
  307   1HD   ARG  40          2HD       ARG  40  -1.031  -8.120   9.125
  308   2HD   ARG  40          1HD       ARG  40  -2.094  -9.493   9.426
  309    HE   ARG  40           HE       ARG  40  -0.519  -9.891   7.092
  310   1HH1  ARG  40          2HH1      ARG  40  -0.409  -9.971  10.572
  311   2HH1  ARG  40          1HH1      ARG  40   0.879 -11.129  10.634
  312   1HH2  ARG  40          2HH2      ARG  40   1.177 -11.416   7.162
  313   2HH2  ARG  40          1HH2      ARG  40   1.779 -11.949   8.697
  314    H    LYS  41           H        LYS  41  -4.186  -6.540  10.750
  315    HA   LYS  41           HA       LYS  41  -4.584  -9.260  11.424
  316   1HB   LYS  41          2HB       LYS  41  -4.941  -6.930  13.297
  317   2HB   LYS  41          1HB       LYS  41  -4.458  -8.572  13.696
  318   1HG   LYS  41          2HG       LYS  41  -2.426  -8.054  12.152
  319   2HG   LYS  41          1HG       LYS  41  -2.863  -6.374  12.473
  320   1HD   LYS  41          2HD       LYS  41  -2.889  -7.885  14.916
  321   2HD   LYS  41          1HD       LYS  41  -1.342  -8.090  14.093
  322   1HE   LYS  41          2HE       LYS  41  -0.698  -6.051  14.687
  323   2HE   LYS  41          1HE       LYS  41  -2.148  -5.344  13.973
  324   1HZ   LYS  41          1HZ       LYS  41  -3.252  -6.177  16.143
  325   2HZ   LYS  41          3HZ       LYS  41  -1.672  -6.188  16.749
  326   3HZ   LYS  41          2HZ       LYS  41  -2.344  -4.749  16.169
  327    H    ILE  42           H        ILE  42  -6.754  -6.745  10.659
  328    HA   ILE  42           HA       ILE  42  -8.969  -7.898  12.152
  329    HB   ILE  42           HB       ILE  42 -10.254  -6.040  11.475
  330   1HG1  ILE  42          2HG1      ILE  42  -8.344  -4.768   9.660
  331   2HG1  ILE  42          1HG1      ILE  42  -8.944  -6.307   9.057
  332   1HG2  ILE  42          1HG2      ILE  42  -7.388  -5.289  11.981
  333   2HG2  ILE  42          3HG2      ILE  42  -8.673  -4.084  11.882
  334   3HG2  ILE  42          2HG2      ILE  42  -8.732  -5.336  13.123
  335   1HD1  ILE  42          2HD1      ILE  42 -11.239  -5.110   9.897
  336   2HD1  ILE  42          1HD1      ILE  42 -10.295  -3.736   9.321
  337   3HD1  ILE  42          3HD1      ILE  42 -10.626  -5.091   8.243
  338    H    GLY  43           H        GLY  43  -7.468  -8.313   9.162
  339   1HA   GLY  43          1HA       GLY  43  -9.918  -9.500   8.013
  340   2HA   GLY  43          2HA       GLY  43  -8.371 -10.335   7.976
  341    H    PHE  44           H        PHE  44  -7.285  -7.406   7.582
  342    HA   PHE  44           HA       PHE  44  -8.124  -6.821   4.886
  343   1HB   PHE  44          2HB       PHE  44  -7.361  -5.134   6.673
  344   2HB   PHE  44          1HB       PHE  44  -5.724  -5.632   6.260
  345    HD1  PHE  44           HD1      PHE  44  -7.806  -5.839   3.424
  346    HD2  PHE  44           HD2      PHE  44  -5.645  -3.071   5.828
  347    HE1  PHE  44           HE1      PHE  44  -7.794  -4.235   1.559
  348    HE2  PHE  44           HE2      PHE  44  -5.631  -1.461   3.968
  349    HZ   PHE  44           HZ       PHE  44  -6.703  -2.043   1.830
  350    H    HIS  45           H        HIS  45  -7.273  -7.593   3.069
  351    HA   HIS  45           HA       HIS  45  -4.494  -8.437   2.975
  352   1HB   HIS  45          2HB       HIS  45  -5.731 -10.450   3.725
  353   2HB   HIS  45          1HB       HIS  45  -6.733 -10.351   2.282
  354    HD1  HIS  45           HD1      HIS  45  -4.669 -12.687   3.175
  355    HD2  HIS  45           HD2      HIS  45  -4.155  -9.852   0.180
  356    HE1  HIS  45           HE1      HIS  45  -2.994 -13.683   1.587
  357    HE2  HIS  45           HE2      HIS  45  -2.699 -11.952  -0.220
  358    H    VAL  46           H        VAL  46  -3.619  -7.806   1.117
  359    HA   VAL  46           HA       VAL  46  -5.153  -7.850  -1.344
  360    HB   VAL  46           HB       VAL  46  -3.867  -5.320  -1.375
  361   1HG1  VAL  46          1HG1      VAL  46  -5.872  -6.174  -2.652
  362   2HG1  VAL  46          3HG1      VAL  46  -6.822  -5.844  -1.203
  363   3HG1  VAL  46          2HG1      VAL  46  -5.993  -4.527  -2.033
  364   1HG2  VAL  46          1HG2      VAL  46  -4.068  -5.464   1.118
  365   2HG2  VAL  46          3HG2      VAL  46  -4.915  -4.099   0.385
  366   3HG2  VAL  46          2HG2      VAL  46  -5.819  -5.522   0.910
  367    H    CYS  47           H        CYS  47  -3.771  -9.163  -2.397
  368    HA   CYS  47           HA       CYS  47  -0.952  -9.072  -2.139
  369   1HB   CYS  47          2HB       CYS  47  -2.017 -10.224  -4.631
  370   2HB   CYS  47          1HB       CYS  47  -0.964 -10.940  -3.415
  371    H    ALA  48           H        ALA  48  -0.356  -6.908  -2.515
  372    HA   ALA  48           HA       ALA  48   0.571  -6.317  -5.064
  373   1HB   ALA  48          1HB       ALA  48  -1.881  -6.048  -5.535
  374   2HB   ALA  48          2HB       ALA  48  -0.888  -4.637  -5.906
  375   3HB   ALA  48          3HB       ALA  48  -1.869  -4.665  -4.439
  376    H    ALA  49           H        ALA  49   2.299  -5.139  -4.614
  377    HA   ALA  49           HA       ALA  49   3.012  -4.012  -2.254
  378   1HB   ALA  49          1HB       ALA  49   4.839  -3.775  -3.502
  379   2HB   ALA  49          3HB       ALA  49   3.901  -3.781  -4.995
  380   3HB   ALA  49          2HB       ALA  49   4.139  -2.275  -4.108
  381    H    GLY  50           H        GLY  50   2.140  -2.491  -1.013
  382   1HA   GLY  50          2HA       GLY  50   0.227  -0.968  -0.766
  383   2HA   GLY  50          1HA       GLY  50   0.649  -0.313  -2.340
  384    H    TRP  51           H        TRP  51   1.474   1.638  -2.195
  385    HA   TRP  51           HA       TRP  51   3.819   2.308  -0.906
  386   1HB   TRP  51          2HB       TRP  51   1.525   3.906  -1.968
  387   2HB   TRP  51          1HB       TRP  51   2.814   4.721  -1.091
  388    HD1  TRP  51           HD1      TRP  51   1.933   3.443  -4.461
  389    HE1  TRP  51           HE1      TRP  51   3.966   3.631  -6.041
  390    HE3  TRP  51           HE3      TRP  51   5.556   4.457  -1.006
  391    HZ2  TRP  51           HZ2      TRP  51   6.740   4.145  -5.838
  392    HZ3  TRP  51           HZ3      TRP  51   7.869   4.785  -1.772
  393    HH2  TRP  51           HH2      TRP  51   8.449   4.630  -4.140
  394    H    MET  52           H        MET  52   3.997   4.153   0.729
  395    HA   MET  52           HA       MET  52   2.036   4.428   2.758
  396   1HB   MET  52          2HB       MET  52   3.519   3.348   4.564
  397   2HB   MET  52          1HB       MET  52   2.549   2.287   3.553
  398   1HG   MET  52          2HG       MET  52   4.468   1.727   2.217
  399   2HG   MET  52          1HG       MET  52   5.459   2.891   3.094
  400   1HE   MET  52          1HE       MET  52   3.952  -0.263   2.640
  401   2HE   MET  52          3HE       MET  52   5.347  -1.155   3.251
  402   3HE   MET  52          2HE       MET  52   3.851  -1.111   4.183
  403    H    ALA  53           H        ALA  53   3.098   5.499   4.775
  404    HA   ALA  53           HA       ALA  53   4.239   7.890   4.045
  405   1HB   ALA  53          3HB       ALA  53   5.010   7.994   6.482
  406   2HB   ALA  53          1HB       ALA  53   4.260   6.406   6.651
  407   3HB   ALA  53          2HB       ALA  53   3.285   7.797   6.175
  408    H    LYS  54           H        LYS  54   6.365   8.791   4.499
  409    HA   LYS  54           HA       LYS  54   8.628   8.866   4.335
  410   1HB   LYS  54          2HB       LYS  54   8.137   6.250   5.610
  411   2HB   LYS  54          1HB       LYS  54   9.695   6.413   4.813
  412   1HG   LYS  54          2HG       LYS  54   8.691   8.439   6.786
  413   2HG   LYS  54          1HG       LYS  54   9.584   7.000   7.277
  414   1HD   LYS  54          2HD       LYS  54  11.531   7.688   6.184
  415   2HD   LYS  54          1HD       LYS  54  10.664   8.851   5.178
  416   1HE   LYS  54          2HE       LYS  54  11.383  10.377   6.648
  417   2HE   LYS  54          1HE       LYS  54  10.111   9.751   7.697
  418   1HZ   LYS  54          3HZ       LYS  54  12.924   8.798   7.683
  419   2HZ   LYS  54          2HZ       LYS  54  12.269   9.872   8.812
  420   3HZ   LYS  54          1HZ       LYS  54  11.698   8.282   8.729
  421    H    GLY  55           H        GLY  55   6.747   7.714   2.156
  422   1HA   GLY  55          1HA       GLY  55   8.712   7.503   0.139
  423   2HA   GLY  55          2HA       GLY  55   7.008   7.110  -0.047
  424    H    ARG  56           H        ARG  56   7.015   5.116   2.058
  425    HA   ARG  56           HA       ARG  56   8.790   3.054   0.965
  426   1HB   ARG  56          2HB       ARG  56   7.679   3.630   3.596
  427   2HB   ARG  56          1HB       ARG  56   7.441   1.952   3.129
  428   1HG   ARG  56          2HG       ARG  56   9.925   1.924   2.573
  429   2HG   ARG  56          1HG       ARG  56  10.016   3.453   3.450
  430   1HD   ARG  56          2HD       ARG  56   8.540   1.680   5.065
  431   2HD   ARG  56          1HD       ARG  56   9.938   0.782   4.477
  432    HE   ARG  56           HE       ARG  56  11.174   2.919   5.311
  433   1HH1  ARG  56          2HH1      ARG  56   8.465   1.324   6.812
  434   2HH1  ARG  56          1HH1      ARG  56   8.906   1.805   8.417
  435   1HH2  ARG  56          1HH2      ARG  56  11.762   3.559   7.419
  436   2HH2  ARG  56          2HH2      ARG  56  10.780   3.077   8.761
  437    H    VAL  57           H        VAL  57   7.923   0.917   0.561
  438    HA   VAL  57           HA       VAL  57   5.065   0.626   0.266
  439    HB   VAL  57           HB       VAL  57   5.270   1.581  -1.813
  440   1HG1  VAL  57          2HG1      VAL  57   8.048   0.635  -1.661
  441   2HG1  VAL  57          1HG1      VAL  57   7.348   0.708  -3.278
  442   3HG1  VAL  57          3HG1      VAL  57   7.392   2.156  -2.271
  443   1HG2  VAL  57          3HG2      VAL  57   5.043  -1.231  -1.752
  444   2HG2  VAL  57          2HG2      VAL  57   4.398  -0.113  -2.954
  445   3HG2  VAL  57          1HG2      VAL  57   6.000  -0.818  -3.176
  446    H    GLY  58           H        GLY  58   4.694  -1.315   1.098
  447   1HA   GLY  58          2HA       GLY  58   5.925  -3.313   2.025
  448   2HA   GLY  58          1HA       GLY  58   6.540  -3.510   0.391
  449    H    TYR  59           H        TYR  59   5.272  -5.605   1.542
  450    HA   TYR  59           HA       TYR  59   2.540  -5.576   0.464
  451   1HB   TYR  59          2HB       TYR  59   3.810  -8.130  -0.026
  452   2HB   TYR  59          1HB       TYR  59   2.966  -7.068  -1.151
  453    HD1  TYR  59           HD1      TYR  59   4.367  -4.948  -1.915
  454    HD2  TYR  59           HD2      TYR  59   6.052  -8.545  -0.388
  455    HE1  TYR  59           HE1      TYR  59   6.499  -4.408  -3.013
  456    HE2  TYR  59           HE2      TYR  59   8.189  -8.013  -1.479
  457    HH   TYR  59           HH       TYR  59   9.242  -5.424  -2.302
  458    HA   PRO  60           HA       PRO  60   2.170  -7.264   4.658
  459   1HB   PRO  60          2HB       PRO  60  -0.696  -7.096   3.973
  460   2HB   PRO  60          1HB       PRO  60   0.175  -6.400   5.340
  461   1HG   PRO  60          2HG       PRO  60  -0.732  -4.887   3.313
  462   2HG   PRO  60          1HG       PRO  60   0.770  -4.509   4.173
  463   1HD   PRO  60          2HD       PRO  60   0.379  -5.754   1.488
  464   2HD   PRO  60          1HD       PRO  60   1.627  -4.617   2.036
  465    H    ILE  61           H        ILE  61  -0.814  -8.301   3.253
  466    HA   ILE  61           HA       ILE  61  -1.604 -10.319   2.532
  467    HB   ILE  61           HB       ILE  61   1.262 -11.275   2.508
  468   1HG1  ILE  61          1HG1      ILE  61   0.993  -9.317   1.061
  469   2HG1  ILE  61          2HG1      ILE  61   1.222 -10.774   0.100
  470   1HG2  ILE  61          1HG2      ILE  61  -0.702 -12.931   2.491
  471   2HG2  ILE  61          3HG2      ILE  61  -1.000 -12.340   0.856
  472   3HG2  ILE  61          2HG2      ILE  61   0.541 -13.100   1.252
  473   1HD1  ILE  61          2HD1      ILE  61  -1.500 -10.629   0.309
  474   2HD1  ILE  61          1HD1      ILE  61  -1.024  -8.934   0.199
  475   3HD1  ILE  61          3HD1      ILE  61  -0.536 -10.069  -1.059
  476    H    VAL  62           H        VAL  62  -2.737 -11.218   4.122
  477    HA   VAL  62           HA       VAL  62  -1.488 -12.012   6.599
  478    HB   VAL  62           HB       VAL  62  -4.238 -12.914   6.226
  479   1HG1  VAL  62          3HG1      VAL  62  -2.766 -12.482   8.346
  480   2HG1  VAL  62          2HG1      VAL  62  -3.362 -10.831   8.172
  481   3HG1  VAL  62          1HG1      VAL  62  -4.500 -12.162   8.383
  482   1HG2  VAL  62          3HG2      VAL  62  -3.572 -10.011   5.792
  483   2HG2  VAL  62          2HG2      VAL  62  -4.505 -11.080   4.744
  484   3HG2  VAL  62          1HG2      VAL  62  -5.165 -10.574   6.300
  485    H    LYS  63           H        LYS  63  -2.918 -13.579   3.786
  486    HA   LYS  63           HA       LYS  63  -2.090 -16.190   4.865
  487   1HB   LYS  63          2HB       LYS  63  -4.385 -15.314   3.214
  488   2HB   LYS  63          1HB       LYS  63  -3.663 -16.853   2.772
  489   1HG   LYS  63          2HG       LYS  63  -3.971 -17.625   5.098
  490   2HG   LYS  63          1HG       LYS  63  -4.791 -16.105   5.461
  491   1HD   LYS  63          2HD       LYS  63  -6.677 -17.123   4.845
  492   2HD   LYS  63          1HD       LYS  63  -6.076 -17.015   3.190
  493   1HE   LYS  63          2HE       LYS  63  -4.798 -19.243   4.150
  494   2HE   LYS  63          1HE       LYS  63  -6.373 -19.338   4.934
  495   1HZ   LYS  63          3HZ       LYS  63  -6.289 -18.757   2.066
  496   2HZ   LYS  63          2HZ       LYS  63  -5.974 -20.342   2.565
  497   3HZ   LYS  63          1HZ       LYS  63  -7.445 -19.607   2.961
  498    HA   PRO  64           HA       PRO  64   1.142 -15.672   1.746
  499   1HB   PRO  64          2HB       PRO  64   2.407 -18.018   2.436
  500   2HB   PRO  64          1HB       PRO  64   2.694 -16.461   3.216
  501   1HG   PRO  64          2HG       PRO  64   0.994 -18.745   4.106
  502   2HG   PRO  64          1HG       PRO  64   2.029 -17.675   5.066
  503   1HD   PRO  64          2HD       PRO  64  -0.653 -17.395   4.989
  504   2HD   PRO  64          1HD       PRO  64   0.440 -16.004   5.151
  505    H    GLY  65           H        GLY  65   0.775 -16.181  -0.310
  506   1HA   GLY  65          2HA       GLY  65  -0.846 -17.501  -1.722
  507   2HA   GLY  65          1HA       GLY  65  -0.162 -18.913  -0.930
  508    HA   PRO  66           HA       PRO  66   2.704 -19.233  -4.267
  509   1HB   PRO  66          2HB       PRO  66   1.298 -19.350  -6.602
  510   2HB   PRO  66          1HB       PRO  66   1.388 -20.688  -5.452
  511   1HG   PRO  66          2HG       PRO  66  -0.774 -18.652  -5.829
  512   2HG   PRO  66          1HG       PRO  66  -0.916 -20.398  -5.550
  513   1HD   PRO  66          2HD       PRO  66  -1.282 -18.590  -3.579
  514   2HD   PRO  66          1HD       PRO  66  -0.572 -20.189  -3.275
  515    H    ASN  67           H        ASN  67   0.208 -17.143  -5.736
  516    HA   ASN  67           HA       ASN  67   2.349 -15.256  -6.461
  517   1HB   ASN  67          2HB       ASN  67   0.318 -14.538  -8.095
  518   2HB   ASN  67          1HB       ASN  67   1.546 -15.722  -8.534
  519   1HD2  ASN  67          2HD2      ASN  67  -1.451 -15.681  -6.626
  520   2HD2  ASN  67          1HD2      ASN  67  -2.127 -17.098  -7.347
  521    H    CYS  68           H        CYS  68  -0.120 -15.689  -4.331
  522    HA   CYS  68           HA       CYS  68  -0.704 -12.805  -4.183
  523   1HB   CYS  68          2HB       CYS  68  -2.442 -15.064  -4.164
  524   2HB   CYS  68          1HB       CYS  68  -2.523 -14.305  -2.579
  525    H    GLY  69           H        GLY  69   1.667 -13.901  -3.100
  526   1HA   GLY  69          1HA       GLY  69   1.309 -14.364  -0.282
  527   2HA   GLY  69          2HA       GLY  69   1.866 -12.734  -0.644
  528    H    PHE  70           H        PHE  70   2.797 -15.351  -2.713
  529    HA   PHE  70           HA       PHE  70   4.805 -16.309  -3.183
  530   1HB   PHE  70          2HB       PHE  70   5.815 -13.831  -1.776
  531   2HB   PHE  70          1HB       PHE  70   6.855 -14.973  -2.620
  532    HD1  PHE  70           HD1      PHE  70   6.002 -15.508  -5.106
  533    HD2  PHE  70           HD2      PHE  70   5.204 -11.948  -2.916
  534    HE1  PHE  70           HE1      PHE  70   5.618 -14.301  -7.216
  535    HE2  PHE  70           HE2      PHE  70   4.818 -10.735  -5.021
  536    HZ   PHE  70           HZ       PHE  70   5.025 -11.911  -7.175
  537    H    GLY  71           H        GLY  71   3.389 -16.811  -0.592
  538   1HA   GLY  71          1HA       GLY  71   5.271 -18.611   0.520
  539   2HA   GLY  71          2HA       GLY  71   3.713 -18.189   1.222
  540    H    LYS  72           H        LYS  72   4.794 -15.273   0.990
  541    HA   LYS  72           HA       LYS  72   6.776 -15.271   3.115
  542   1HB   LYS  72          2HB       LYS  72   5.494 -12.909   1.735
  543   2HB   LYS  72          1HB       LYS  72   6.953 -12.897   2.717
  544   1HG   LYS  72          2HG       LYS  72   8.127 -14.205   1.068
  545   2HG   LYS  72          1HG       LYS  72   6.656 -14.371   0.108
  546   1HD   LYS  72          2HD       LYS  72   7.121 -12.472  -0.943
  547   2HD   LYS  72          1HD       LYS  72   7.078 -11.606   0.596
  548   1HE   LYS  72          2HE       LYS  72   9.216 -11.389  -0.723
  549   2HE   LYS  72          1HE       LYS  72   9.396 -11.926   0.947
  550   1HZ   LYS  72          1HZ       LYS  72   9.252 -13.830  -1.315
  551   2HZ   LYS  72          3HZ       LYS  72  10.717 -13.167  -0.786
  552   3HZ   LYS  72          2HZ       LYS  72   9.792 -14.119   0.261
  553    H    THR  73           H        THR  73   6.504 -14.161   5.102
  554    HA   THR  73           HA       THR  73   3.689 -13.867   5.926
  555    HB   THR  73           HB       THR  73   4.998 -14.275   8.277
  556    HG1  THR  73           HG1      THR  73   6.940 -14.823   7.148
  557   1HG2  THR  73          1HG2      THR  73   3.402 -15.942   6.435
  558   2HG2  THR  73          3HG2      THR  73   4.273 -16.804   7.702
  559   3HG2  THR  73          2HG2      THR  73   3.123 -15.538   8.129
  560    H    GLY  74           H        GLY  74   3.096 -11.946   6.707
  561   1HA   GLY  74          2HA       GLY  74   5.080 -10.203   7.959
  562   2HA   GLY  74          1HA       GLY  74   3.335  -9.977   7.981
  563    H    ILE  75           H        ILE  75   4.365  -7.724   7.501
  564    HA   ILE  75           HA       ILE  75   3.783  -7.151   4.757
  565    HB   ILE  75           HB       ILE  75   5.012  -5.212   6.698
  566   1HG1  ILE  75          2HG1      ILE  75   2.520  -6.617   6.980
  567   2HG1  ILE  75          1HG1      ILE  75   3.243  -5.425   8.053
  568   1HG2  ILE  75          2HG2      ILE  75   4.550  -4.820   4.143
  569   2HG2  ILE  75          1HG2      ILE  75   2.902  -4.544   4.709
  570   3HG2  ILE  75          3HG2      ILE  75   4.225  -3.557   5.333
  571   1HD1  ILE  75          1HD1      ILE  75   2.256  -3.648   6.610
  572   2HD1  ILE  75          3HD1      ILE  75   1.396  -4.919   5.740
  573   3HD1  ILE  75          2HD1      ILE  75   1.082  -4.656   7.456
  574    H    ILE  76           H        ILE  76   5.305  -8.051   3.426
  575    HA   ILE  76           HA       ILE  76   8.100  -7.917   3.872
  576    HB   ILE  76           HB       ILE  76   6.742  -8.275   1.204
  577   1HG1  ILE  76          2HG1      ILE  76   5.715  -9.871   2.655
  578   2HG1  ILE  76          1HG1      ILE  76   6.939 -10.740   1.734
  579   1HG2  ILE  76          1HG2      ILE  76   9.400  -8.054   1.821
  580   2HG2  ILE  76          3HG2      ILE  76   9.153  -9.800   1.806
  581   3HG2  ILE  76          2HG2      ILE  76   8.741  -8.839   0.385
  582   1HD1  ILE  76          2HD1      ILE  76   7.243  -9.752   4.558
  583   2HD1  ILE  76          1HD1      ILE  76   6.923 -11.416   4.067
  584   3HD1  ILE  76          3HD1      ILE  76   8.451 -10.648   3.634
  585    H    ASP  77           H        ASP  77   8.392  -5.665   4.375
  586    HA   ASP  77           HA       ASP  77   8.282  -3.878   2.040
  587   1HB   ASP  77          2HB       ASP  77   7.055  -2.828   3.724
  588   2HB   ASP  77          1HB       ASP  77   8.139  -3.384   4.996
  589    H    TYR  78           H        TYR  78  10.137  -3.469   1.049
  590    HA   TYR  78           HA       TYR  78  12.646  -4.196   2.275
  591   1HB   TYR  78          2HB       TYR  78  12.000  -3.072  -0.456
  592   2HB   TYR  78          1HB       TYR  78  13.587  -3.625   0.057
  593    HD1  TYR  78           HD1      TYR  78  10.096  -4.965   0.145
  594    HD2  TYR  78           HD2      TYR  78  14.188  -5.690  -0.763
  595    HE1  TYR  78           HE1      TYR  78   9.524  -7.245  -0.571
  596    HE2  TYR  78           HE2      TYR  78  13.629  -7.975  -1.483
  597    HH   TYR  78           HH       TYR  78  10.521  -9.370  -0.921
  598    H    GLY  79           H        GLY  79  10.890  -1.704   2.943
  599   1HA   GLY  79          2HA       GLY  79  13.101  -0.008   3.592
  600   2HA   GLY  79          1HA       GLY  79  11.397   0.348   3.870
  601    H    ILE  80           H        ILE  80  12.612   2.490   3.173
  602    HA   ILE  80           HA       ILE  80  11.498   3.271   0.716
  603    HB   ILE  80           HB       ILE  80  13.735   4.665   2.188
  604   1HG1  ILE  80          1HG1      ILE  80  10.774   5.158   2.502
  605   2HG1  ILE  80          2HG1      ILE  80  11.673   4.081   3.565
  606   1HG2  ILE  80          1HG2      ILE  80  12.401   5.243  -0.236
  607   2HG2  ILE  80          3HG2      ILE  80  11.859   6.419   0.960
  608   3HG2  ILE  80          2HG2      ILE  80  13.580   6.231   0.626
  609   1HD1  ILE  80          2HD1      ILE  80  12.842   6.748   3.248
  610   2HD1  ILE  80          1HD1      ILE  80  11.261   6.708   4.027
  611   3HD1  ILE  80          3HD1      ILE  80  12.598   5.773   4.697
  612    H    ARG  81           H        ARG  81  12.157   2.859  -1.276
  613    HA   ARG  81           HA       ARG  81  14.921   2.019  -1.726
  614   1HB   ARG  81          2HB       ARG  81  12.474   1.881  -3.494
  615   2HB   ARG  81          1HB       ARG  81  14.074   1.334  -3.974
  616   1HG   ARG  81          2HG       ARG  81  12.934   0.239  -1.465
  617   2HG   ARG  81          1HG       ARG  81  12.258  -0.317  -2.997
  618   1HD   ARG  81          2HD       ARG  81  13.948  -1.851  -2.614
  619   2HD   ARG  81          1HD       ARG  81  14.729  -0.681  -3.676
  620    HE   ARG  81           HE       ARG  81  15.049  -0.412  -0.776
  621   1HH1  ARG  81          1HH1      ARG  81  16.403  -1.097  -3.911
  622   2HH1  ARG  81          2HH1      ARG  81  18.044  -0.978  -3.371
  623   1HH2  ARG  81          1HH2      ARG  81  17.207  -0.252  -0.054
  624   2HH2  ARG  81          2HH2      ARG  81  18.502  -0.498  -1.178
  625    H    LEU  82           H        LEU  82  13.718   4.870  -1.426
  626    HA   LEU  82           HA       LEU  82  14.066   6.948  -2.293
  627   1HB   LEU  82          2HB       LEU  82  16.486   5.387  -2.873
  628   2HB   LEU  82          1HB       LEU  82  16.285   6.809  -3.875
  629    HG   LEU  82           HG       LEU  82  17.672   7.290  -1.928
  630   1HD1  LEU  82          1HD1      LEU  82  14.987   8.601  -2.125
  631   2HD1  LEU  82          3HD1      LEU  82  16.178   9.139  -0.941
  632   3HD1  LEU  82          2HD1      LEU  82  16.559   9.193  -2.663
  633   1HD2  LEU  82          1HD2      LEU  82  15.256   6.384  -0.379
  634   2HD2  LEU  82          3HD2      LEU  82  16.887   5.714  -0.332
  635   3HD2  LEU  82          2HD2      LEU  82  16.575   7.320   0.326
  636    H    ASN  83           H        ASN  83  12.336   5.206  -3.787
  637    HA   ASN  83           HA       ASN  83  12.569   6.508  -6.403
  638   1HB   ASN  83          2HB       ASN  83  13.122   3.814  -6.037
  639   2HB   ASN  83          1HB       ASN  83  11.455   3.820  -6.604
  640   1HD2  ASN  83          1HD2      ASN  83  14.286   5.824  -7.347
  641   2HD2  ASN  83          2HD2      ASN  83  14.229   5.570  -9.055
  642    H    ARG  84           H        ARG  84  10.970   7.807  -5.032
  643    HA   ARG  84           HA       ARG  84   8.416   6.786  -4.435
  644   1HB   ARG  84          2HB       ARG  84   9.563   9.525  -4.798
  645   2HB   ARG  84          1HB       ARG  84   7.821   9.335  -4.679
  646   1HG   ARG  84          2HG       ARG  84   8.296   9.663  -2.489
  647   2HG   ARG  84          1HG       ARG  84   8.492   7.911  -2.553
  648   1HD   ARG  84          2HD       ARG  84  10.327   9.472  -1.469
  649   2HD   ARG  84          1HD       ARG  84  10.762   8.017  -2.365
  650    HE   ARG  84           HE       ARG  84  11.421   9.378  -4.191
  651   1HH1  ARG  84          1HH1      ARG  84  10.499  11.181  -1.356
  652   2HH1  ARG  84          2HH1      ARG  84  11.296  12.633  -1.862
  653   1HH2  ARG  84          2HH2      ARG  84  12.473  11.288  -4.866
  654   2HH2  ARG  84          1HH2      ARG  84  12.417  12.693  -3.856
  655    H    SER  85           H        SER  85   9.839   7.103  -7.387
  656    HA   SER  85           HA       SER  85   7.356   7.782  -8.788
  657   1HB   SER  85          2HB       SER  85  10.220   8.030  -9.409
  658   2HB   SER  85          1HB       SER  85   9.235   7.454 -10.754
  659    HG   SER  85           HG       SER  85   9.496   9.839 -10.398
  660    H    GLU  86           H        GLU  86   8.512   5.114  -7.498
  661    HA   GLU  86           HA       GLU  86   8.696   3.219  -9.554
  662   1HB   GLU  86          2HB       GLU  86   8.109   3.113  -6.631
  663   2HB   GLU  86          1HB       GLU  86   7.795   1.676  -7.596
  664   1HG   GLU  86          2HG       GLU  86  10.409   2.889  -8.079
  665   2HG   GLU  86          1HG       GLU  86  10.171   2.305  -6.432
  666    H    ARG  87           H        ARG  87   6.937   1.245  -9.290
  667    HA   ARG  87           HA       ARG  87   4.285   2.440  -9.694
  668   1HB   ARG  87          2HB       ARG  87   3.946   0.752 -11.538
  669   2HB   ARG  87          1HB       ARG  87   5.034   2.083 -11.905
  670   1HG   ARG  87          2HG       ARG  87   6.697   0.131 -10.881
  671   2HG   ARG  87          1HG       ARG  87   5.537  -0.765 -11.861
  672   1HD   ARG  87          2HD       ARG  87   6.128   0.352 -13.811
  673   2HD   ARG  87          1HD       ARG  87   6.847   1.702 -12.934
  674    HE   ARG  87           HE       ARG  87   8.536  -0.153 -12.232
  675   1HH1  ARG  87          2HH1      ARG  87   7.022   0.254 -15.341
  676   2HH1  ARG  87          1HH1      ARG  87   8.339  -0.447 -16.220
  677   1HH2  ARG  87          2HH2      ARG  87  10.279  -1.078 -13.379
  678   2HH2  ARG  87          1HH2      ARG  87  10.191  -1.206 -15.104
  679    H    TRP  88           H        TRP  88   3.000   1.650  -8.219
  680    HA   TRP  88           HA       TRP  88   2.746  -1.216  -7.855
  681   1HB   TRP  88          2HB       TRP  88   3.098   0.486  -5.391
  682   2HB   TRP  88          1HB       TRP  88   3.095  -1.268  -5.513
  683    HD1  TRP  88           HD1      TRP  88   5.393   1.625  -5.354
  684    HE1  TRP  88           HE1      TRP  88   7.818   0.867  -5.779
  685    HE3  TRP  88           HE3      TRP  88   4.475  -3.090  -7.099
  686    HZ2  TRP  88           HZ2      TRP  88   9.162  -1.430  -6.727
  687    HZ3  TRP  88           HZ3      TRP  88   6.383  -4.505  -7.741
  688    HH2  TRP  88           HH2      TRP  88   8.678  -3.690  -7.558
  689    H    ASP  89           H        ASP  89   1.405  -0.225  -5.185
  690    HA   ASP  89           HA       ASP  89  -1.071   0.737  -6.455
  691   1HB   ASP  89          2HB       ASP  89  -1.042  -0.983  -3.982
  692   2HB   ASP  89          1HB       ASP  89  -2.391  -0.634  -5.058
  693    H    ALA  90           H        ALA  90  -2.567   1.276  -4.277
  694    HA   ALA  90           HA       ALA  90  -1.003   2.961  -2.483
  695   1HB   ALA  90          2HB       ALA  90  -1.618   4.308  -4.532
  696   2HB   ALA  90          1HB       ALA  90  -3.299   4.149  -4.024
  697   3HB   ALA  90          3HB       ALA  90  -2.138   4.975  -2.985
  698    H    TYR  91           H        TYR  91  -1.834   2.923  -0.465
  699    HA   TYR  91           HA       TYR  91  -4.453   1.665  -0.112
  700   1HB   TYR  91          2HB       TYR  91  -2.051   2.005   1.657
  701   2HB   TYR  91          1HB       TYR  91  -3.623   1.638   2.350
  702    HD1  TYR  91           HD1      TYR  91  -4.816  -0.481   1.558
  703    HD2  TYR  91           HD2      TYR  91  -0.715   0.311   0.746
  704    HE1  TYR  91           HE1      TYR  91  -4.462  -2.857   1.068
  705    HE2  TYR  91           HE2      TYR  91  -0.350  -2.071   0.256
  706    HH   TYR  91           HH       TYR  91  -2.597  -4.135  -0.508
  707    H    CYS  92           H        CYS  92  -6.065   3.100  -0.092
  708    HA   CYS  92           HA       CYS  92  -5.656   5.777   0.920
  709   1HB   CYS  92          2HB       CYS  92  -7.710   4.383  -0.662
  710   2HB   CYS  92          1HB       CYS  92  -8.334   5.616   0.428
  711    H    TYR  93           H        TYR  93  -6.178   6.517   2.858
  712    HA   TYR  93           HA       TYR  93  -7.879   4.876   4.604
  713   1HB   TYR  93          2HB       TYR  93  -5.585   4.486   5.246
  714   2HB   TYR  93          1HB       TYR  93  -5.255   6.205   5.279
  715    HD1  TYR  93           HD1      TYR  93  -7.217   7.445   6.866
  716    HD2  TYR  93           HD2      TYR  93  -5.583   3.544   7.333
  717    HE1  TYR  93           HE1      TYR  93  -7.788   7.501   9.255
  718    HE2  TYR  93           HE2      TYR  93  -6.149   3.589   9.726
  719    HH   TYR  93           HH       TYR  93  -7.417   4.678  11.301
  720    H    ASN  94           H        ASN  94  -9.567   5.985   5.315
  721    HA   ASN  94           HA       ASN  94  -9.286   8.884   5.744
  722   1HB   ASN  94          2HB       ASN  94 -11.584   7.427   4.428
  723   2HB   ASN  94          1HB       ASN  94 -11.689   9.090   4.996
  724   1HD2  ASN  94          2HD2      ASN  94 -12.156   9.694   2.837
  725   2HD2  ASN  94          1HD2      ASN  94 -10.888   9.852   1.673
  726    HA   PRO  95           HA       PRO  95 -10.769   8.403   9.860
  727   1HB   PRO  95          2HB       PRO  95 -12.807  10.461   9.129
  728   2HB   PRO  95          1HB       PRO  95 -11.713  10.404  10.517
  729   1HG   PRO  95          2HG       PRO  95 -11.212  12.013   8.451
  730   2HG   PRO  95          1HG       PRO  95  -9.901  11.164   9.288
  731   1HD   PRO  95          2HD       PRO  95 -11.115  10.621   6.627
  732   2HD   PRO  95          1HD       PRO  95  -9.450  10.365   7.184
  733    H    HIS  96           H        HIS  96 -13.113   8.553   7.238
  734    HA   HIS  96           HA       HIS  96 -14.778   6.597   8.682
  735   1HB   HIS  96          2HB       HIS  96 -15.669   8.815   6.826
  736   2HB   HIS  96          1HB       HIS  96 -16.727   7.544   7.434
  737    HD1  HIS  96           HD1      HIS  96 -16.241  10.889   8.037
  738    HD2  HIS  96           HD2      HIS  96 -16.212   7.586  10.559
  739    HE1  HIS  96           HE1      HIS  96 -16.688  11.797  10.339
  740    HE2  HIS  96           HE2      HIS  96 -16.574   9.792  11.861
  741    H    ALA  97           H        ALA  97 -13.369   7.648   5.668
  742    HA   ALA  97           HA       ALA  97 -13.457   6.711   3.541
  743   1HB   ALA  97          3HB       ALA  97 -12.412   4.276   3.874
  744   2HB   ALA  97          1HB       ALA  97 -12.122   4.928   5.487
  745   3HB   ALA  97          2HB       ALA  97 -11.471   5.756   4.071
  746    H    LYS  98           H        LYS  98 -15.818   6.674   3.368
  747    HA   LYS  98           HA       LYS  98 -17.375   4.437   4.071
  748   1HB   LYS  98          2HB       LYS  98 -18.216   6.734   3.436
  749   2HB   LYS  98          1HB       LYS  98 -17.901   6.307   1.759
  750   1HG   LYS  98          2HG       LYS  98 -19.775   5.115   1.604
  751   2HG   LYS  98          1HG       LYS  98 -19.485   4.302   3.142
  752   1HD   LYS  98          2HD       LYS  98 -20.901   5.647   4.222
  753   2HD   LYS  98          1HD       LYS  98 -20.186   7.092   3.507
  754   1HE   LYS  98          2HE       LYS  98 -21.475   6.362   1.376
  755   2HE   LYS  98          1HE       LYS  98 -22.430   5.390   2.496
  756   1HZ   LYS  98          1HZ       LYS  98 -22.589   7.626   3.783
  757   2HZ   LYS  98          3HZ       LYS  98 -22.232   8.312   2.278
  758   3HZ   LYS  98          2HZ       LYS  98 -23.603   7.340   2.461

  No H/Q in entry =         758
  Start of MODEL   16
    1    H1   GLY   1          2H        GLY   1 -11.692   3.903   7.231
    2    H2   GLY   1          1H        GLY   1 -12.295   2.961   8.500
    3    H3   GLY   1          3H        GLY   1 -11.685   4.510   8.810
    4   1HA   GLY   1          2HA       GLY   1 -10.313   2.073   8.836
    5   2HA   GLY   1          1HA       GLY   1  -9.683   3.676   9.173
    6    H    VAL   2           H        VAL   2  -8.106   1.757   8.027
    7    HA   VAL   2           HA       VAL   2  -7.439   3.048   5.516
    8    HB   VAL   2           HB       VAL   2  -5.564   2.716   6.891
    9   1HG1  VAL   2          2HG1      VAL   2  -6.982   0.480   7.838
   10   2HG1  VAL   2          1HG1      VAL   2  -5.440  -0.119   7.228
   11   3HG1  VAL   2          3HG1      VAL   2  -5.471   1.147   8.455
   12   1HG2  VAL   2          3HG2      VAL   2  -5.631   1.681   4.386
   13   2HG2  VAL   2          2HG2      VAL   2  -4.173   1.844   5.366
   14   3HG2  VAL   2          1HG2      VAL   2  -5.032   0.305   5.312
   15    H    TYR   3           H        TYR   3  -7.367   2.081   3.520
   16    HA   TYR   3           HA       TYR   3  -8.131  -0.720   3.271
   17   1HB   TYR   3          2HB       TYR   3  -9.854  -0.180   1.565
   18   2HB   TYR   3          1HB       TYR   3 -10.274   0.399   3.173
   19    HD1  TYR   3           HD1      TYR   3  -9.794   2.877   3.690
   20    HD2  TYR   3           HD2      TYR   3  -9.871   1.279  -0.252
   21    HE1  TYR   3           HE1      TYR   3 -10.141   5.138   2.787
   22    HE2  TYR   3           HE2      TYR   3 -10.217   3.535  -1.166
   23    HH   TYR   3           HH       TYR   3  -9.955   5.810  -0.604
   24    H    HIS   4           H        HIS   4  -8.274  -1.167   0.725
   25    HA   HIS   4           HA       HIS   4  -5.663  -0.351  -0.283
   26   1HB   HIS   4          2HB       HIS   4  -6.119  -2.729  -0.284
   27   2HB   HIS   4          1HB       HIS   4  -7.596  -2.481  -1.210
   28    HD1  HIS   4           HD1      HIS   4  -7.284  -3.169  -3.550
   29    HD2  HIS   4           HD2      HIS   4  -3.816  -1.522  -1.962
   30    HE1  HIS   4           HE1      HIS   4  -5.596  -3.232  -5.414
   31    HE2  HIS   4           HE2      HIS   4  -3.481  -2.306  -4.404
   32    H    ARG   5           H        ARG   5  -5.355   0.345  -2.465
   33    HA   ARG   5           HA       ARG   5  -7.691   1.307  -3.911
   34   1HB   ARG   5          2HB       ARG   5  -6.932   3.113  -2.303
   35   2HB   ARG   5          1HB       ARG   5  -5.442   3.197  -3.229
   36   1HG   ARG   5          2HG       ARG   5  -6.780   4.929  -4.055
   37   2HG   ARG   5          1HG       ARG   5  -6.901   3.643  -5.257
   38   1HD   ARG   5          2HD       ARG   5  -9.111   4.018  -5.075
   39   2HD   ARG   5          1HD       ARG   5  -8.967   3.000  -3.643
   40    HE   ARG   5           HE       ARG   5  -8.708   5.160  -2.390
   41   1HH1  ARG   5          2HH1      ARG   5 -10.410   5.000  -5.424
   42   2HH1  ARG   5          1HH1      ARG   5 -11.414   6.369  -5.080
   43   1HH2  ARG   5          2HH2      ARG   5 -10.024   6.964  -1.928
   44   2HH2  ARG   5          1HH2      ARG   5 -11.195   7.486  -3.093
   45    H    GLU   6           H        GLU   6  -7.324   1.675  -6.109
   46    HA   GLU   6           HA       GLU   6  -4.684   0.808  -7.092
   47   1HB   GLU   6          2HB       GLU   6  -6.222  -0.940  -7.585
   48   2HB   GLU   6          1HB       GLU   6  -7.438   0.193  -8.154
   49   1HG   GLU   6          2HG       GLU   6  -6.013   0.745 -10.067
   50   2HG   GLU   6          1HG       GLU   6  -4.815  -0.417  -9.496
   51    H    ALA   7           H        ALA   7  -4.438   1.462  -9.497
   52    HA   ALA   7           HA       ALA   7  -4.585   4.322  -9.589
   53   1HB   ALA   7          2HB       ALA   7  -3.195   4.209 -11.437
   54   2HB   ALA   7          1HB       ALA   7  -2.759   2.752 -10.545
   55   3HB   ALA   7          3HB       ALA   7  -3.826   2.642 -11.944
   56    H    ARG   8           H        ARG   8  -5.354   5.420 -11.645
   57    HA   ARG   8           HA       ARG   8  -8.133   4.927 -11.948
   58   1HB   ARG   8          2HB       ARG   8  -6.171   6.890 -12.959
   59   2HB   ARG   8          1HB       ARG   8  -7.572   6.626 -13.987
   60   1HG   ARG   8          2HG       ARG   8  -8.527   8.199 -12.725
   61   2HG   ARG   8          1HG       ARG   8  -8.743   6.897 -11.553
   62   1HD   ARG   8          2HD       ARG   8  -6.241   7.666 -10.939
   63   2HD   ARG   8          1HD       ARG   8  -6.894   9.196 -11.518
   64    HE   ARG   8           HE       ARG   8  -7.784   7.695  -9.175
   65   1HH1  ARG   8          1HH1      ARG   8  -8.101  10.473 -11.252
   66   2HH1  ARG   8          2HH1      ARG   8  -9.039  11.379 -10.113
   67   1HH2  ARG   8          1HH2      ARG   8  -9.019   8.880  -7.668
   68   2HH2  ARG   8          2HH2      ARG   8  -9.561  10.474  -8.075
   69    H    SER   9           H        SER   9  -5.335   3.808 -13.599
   70    HA   SER   9           HA       SER   9  -6.922   2.904 -15.890
   71   1HB   SER   9          2HB       SER   9  -4.287   2.125 -16.326
   72   2HB   SER   9          1HB       SER   9  -5.079   3.547 -17.003
   73    HG   SER   9           HG       SER   9  -3.563   4.561 -15.947
   74    H    GLY  10           H        GLY  10  -4.647   1.658 -13.469
   75   1HA   GLY  10          2HA       GLY  10  -4.866  -1.042 -14.196
   76   2HA   GLY  10          1HA       GLY  10  -6.066  -0.692 -12.963
   77    H    LYS  11           H        LYS  11  -4.546  -2.475 -12.045
   78    HA   LYS  11           HA       LYS  11  -3.169  -1.393  -9.868
   79   1HB   LYS  11          2HB       LYS  11  -4.001  -3.596  -9.648
   80   2HB   LYS  11          1HB       LYS  11  -3.182  -4.138 -11.106
   81   1HG   LYS  11          2HG       LYS  11  -1.040  -3.993 -10.016
   82   2HG   LYS  11          1HG       LYS  11  -1.785  -3.301  -8.573
   83   1HD   LYS  11          2HD       LYS  11  -1.902  -5.395  -7.807
   84   2HD   LYS  11          1HD       LYS  11  -3.216  -5.621  -8.964
   85   1HE   LYS  11          2HE       LYS  11  -0.378  -5.989  -9.829
   86   2HE   LYS  11          1HE       LYS  11  -1.204  -7.273  -8.948
   87   1HZ   LYS  11          1HZ       LYS  11  -3.020  -6.666 -10.810
   88   2HZ   LYS  11          3HZ       LYS  11  -1.593  -6.352 -11.664
   89   3HZ   LYS  11          2HZ       LYS  11  -1.856  -7.880 -10.990
   90    H    TYR  12           H        TYR  12  -0.938  -1.373  -9.342
   91    HA   TYR  12           HA       TYR  12   1.223  -0.764  -9.747
   92   1HB   TYR  12          2HB       TYR  12   0.915  -2.890 -11.878
   93   2HB   TYR  12          1HB       TYR  12   2.453  -2.205 -11.366
   94    HD1  TYR  12           HD1      TYR  12   0.966  -2.163  -8.388
   95    HD2  TYR  12           HD2      TYR  12   2.157  -5.052 -11.276
   96    HE1  TYR  12           HE1      TYR  12   1.129  -3.868  -6.614
   97    HE2  TYR  12           HE2      TYR  12   2.324  -6.757  -9.514
   98    HH   TYR  12           HH       TYR  12   1.069  -6.952  -7.017
   99    H    LYS  13           H        LYS  13   0.360   1.348 -10.481
  100    HA   LYS  13           HA       LYS  13   1.458   1.988 -13.066
  101   1HB   LYS  13          2HB       LYS  13  -1.489   1.969 -12.570
  102   2HB   LYS  13          1HB       LYS  13  -0.812   3.225 -13.596
  103   1HG   LYS  13          2HG       LYS  13   0.218   1.435 -14.989
  104   2HG   LYS  13          1HG       LYS  13  -0.662   0.251 -14.020
  105   1HD   LYS  13          2HD       LYS  13  -2.714   1.797 -14.656
  106   2HD   LYS  13          1HD       LYS  13  -1.672   2.204 -16.022
  107   1HE   LYS  13          2HE       LYS  13  -1.980  -0.667 -15.354
  108   2HE   LYS  13          1HE       LYS  13  -3.370   0.148 -16.067
  109   1HZ   LYS  13          3HZ       LYS  13  -1.885   0.888 -17.880
  110   2HZ   LYS  13          2HZ       LYS  13  -0.646  -0.059 -17.225
  111   3HZ   LYS  13          1HZ       LYS  13  -2.055  -0.794 -17.802
  112    H    LEU  14           H        LEU  14   0.704   2.708  -9.918
  113    HA   LEU  14           HA       LEU  14   1.109   5.587 -10.353
  114   1HB   LEU  14          2HB       LEU  14   0.116   5.810  -8.073
  115   2HB   LEU  14          1HB       LEU  14  -0.987   5.292  -9.324
  116    HG   LEU  14           HG       LEU  14   0.060   2.953  -8.175
  117   1HD1  LEU  14          2HD1      LEU  14  -0.130   5.157  -6.263
  118   2HD1  LEU  14          1HD1      LEU  14  -1.032   3.713  -5.798
  119   3HD1  LEU  14          3HD1      LEU  14   0.696   3.603  -6.130
  120   1HD2  LEU  14          3HD2      LEU  14  -2.255   3.567  -9.108
  121   2HD2  LEU  14          2HD2      LEU  14  -2.173   2.447  -7.748
  122   3HD2  LEU  14          1HD2      LEU  14  -2.602   4.136  -7.475
  123    H    THR  15           H        THR  15   2.253   6.694  -8.570
  124    HA   THR  15           HA       THR  15   4.443   5.015  -7.526
  125    HB   THR  15           HB       THR  15   5.972   6.774  -7.825
  126    HG1  THR  15           HG1      THR  15   3.661   8.405  -8.013
  127   1HG2  THR  15          1HG2      THR  15   4.259   6.087 -10.043
  128   2HG2  THR  15          3HG2      THR  15   4.912   7.713 -10.237
  129   3HG2  THR  15          2HG2      THR  15   6.003   6.345 -10.015
  130    H    TYR  16           H        TYR  16   5.591   6.875  -5.819
  131    HA   TYR  16           HA       TYR  16   3.897   6.676  -3.554
  132   1HB   TYR  16          2HB       TYR  16   6.265   6.674  -3.187
  133   2HB   TYR  16          1HB       TYR  16   6.457   8.207  -4.029
  134    HD1  TYR  16           HD1      TYR  16   4.774   6.726  -1.046
  135    HD2  TYR  16           HD2      TYR  16   6.534  10.178  -2.810
  136    HE1  TYR  16           HE1      TYR  16   4.547   7.927   1.088
  137    HE2  TYR  16           HE2      TYR  16   6.313  11.386  -0.679
  138    HH   TYR  16           HH       TYR  16   5.297  11.349   1.363
  139    H    ALA  17           H        ALA  17   4.748   9.292  -5.753
  140    HA   ALA  17           HA       ALA  17   3.272  11.297  -4.349
  141   1HB   ALA  17          2HB       ALA  17   5.189  11.799  -5.837
  142   2HB   ALA  17          1HB       ALA  17   4.201  11.326  -7.218
  143   3HB   ALA  17          3HB       ALA  17   3.738  12.717  -6.238
  144    H    GLU  18           H        GLU  18   2.618   9.148  -7.086
  145    HA   GLU  18           HA       GLU  18   0.114  10.301  -7.769
  146   1HB   GLU  18          2HB       GLU  18   1.304   7.576  -8.299
  147   2HB   GLU  18          1HB       GLU  18  -0.222   8.121  -8.973
  148   1HG   GLU  18          2HG       GLU  18   0.956   9.975 -10.081
  149   2HG   GLU  18          1HG       GLU  18   2.479   9.354  -9.447
  150    H    ALA  19           H        ALA  19   1.127   7.604  -5.758
  151    HA   ALA  19           HA       ALA  19  -1.374   6.577  -5.080
  152   1HB   ALA  19          2HB       ALA  19   0.019   5.117  -4.144
  153   2HB   ALA  19          3HB       ALA  19   0.256   6.267  -2.826
  154   3HB   ALA  19          1HB       ALA  19   1.350   6.274  -4.210
  155    H    LYS  20           H        LYS  20   0.529   9.175  -3.632
  156    HA   LYS  20           HA       LYS  20  -1.228   9.622  -1.438
  157   1HB   LYS  20          2HB       LYS  20   1.247  10.285  -1.674
  158   2HB   LYS  20          1HB       LYS  20   0.656  11.669  -2.581
  159   1HG   LYS  20          2HG       LYS  20  -0.871  11.578  -0.232
  160   2HG   LYS  20          1HG       LYS  20   0.802  11.284   0.250
  161   1HD   LYS  20          2HD       LYS  20   0.649  13.401  -1.703
  162   2HD   LYS  20          1HD       LYS  20  -0.383  13.748  -0.315
  163   1HE   LYS  20          2HE       LYS  20   2.431  12.801   0.068
  164   2HE   LYS  20          1HE       LYS  20   2.092  14.498  -0.263
  165   1HZ   LYS  20          3HZ       LYS  20   0.430  14.246   1.674
  166   2HZ   LYS  20          2HZ       LYS  20   1.349  12.888   2.087
  167   3HZ   LYS  20          1HZ       LYS  20   2.078  14.413   2.024
  168    H    ALA  21           H        ALA  21  -1.034  10.839  -4.711
  169    HA   ALA  21           HA       ALA  21  -2.685  13.098  -4.412
  170   1HB   ALA  21          3HB       ALA  21  -3.035  12.867  -6.883
  171   2HB   ALA  21          2HB       ALA  21  -1.347  12.912  -6.370
  172   3HB   ALA  21          1HB       ALA  21  -2.095  11.376  -6.806
  173    H    VAL  22           H        VAL  22  -3.436   9.767  -5.353
  174    HA   VAL  22           HA       VAL  22  -6.199  10.178  -5.754
  175    HB   VAL  22           HB       VAL  22  -4.476   7.775  -5.367
  176   1HG1  VAL  22          1HG1      VAL  22  -6.438   7.296  -3.996
  177   2HG1  VAL  22          3HG1      VAL  22  -7.492   7.696  -5.354
  178   3HG1  VAL  22          2HG1      VAL  22  -6.420   6.298  -5.450
  179   1HG2  VAL  22          1HG2      VAL  22  -6.392   8.696  -7.501
  180   2HG2  VAL  22          3HG2      VAL  22  -4.630   8.692  -7.577
  181   3HG2  VAL  22          2HG2      VAL  22  -5.514   7.167  -7.541
  182    H    CYS  23           H        CYS  23  -4.393   8.913  -2.977
  183    HA   CYS  23           HA       CYS  23  -6.639   8.464  -1.339
  184   1HB   CYS  23          2HB       CYS  23  -3.710   8.846  -0.765
  185   2HB   CYS  23          1HB       CYS  23  -4.877   8.610   0.529
  186    H    GLU  24           H        GLU  24  -4.322  11.161  -1.433
  187    HA   GLU  24           HA       GLU  24  -5.716  12.705   0.512
  188   1HB   GLU  24          2HB       GLU  24  -3.262  12.905  -0.106
  189   2HB   GLU  24          1HB       GLU  24  -3.784  13.751  -1.556
  190   1HG   GLU  24          2HG       GLU  24  -4.563  15.583  -0.359
  191   2HG   GLU  24          1HG       GLU  24  -4.641  14.680   1.153
  192    H    PHE  25           H        PHE  25  -6.330  12.014  -2.717
  193    HA   PHE  25           HA       PHE  25  -7.344  14.391  -3.748
  194   1HB   PHE  25          2HB       PHE  25  -7.161  11.789  -4.624
  195   2HB   PHE  25          1HB       PHE  25  -8.901  12.016  -4.474
  196    HD1  PHE  25           HD1      PHE  25  -5.870  13.594  -5.938
  197    HD2  PHE  25           HD2      PHE  25 -10.083  13.037  -6.176
  198    HE1  PHE  25           HE1      PHE  25  -5.897  14.764  -8.101
  199    HE2  PHE  25           HE2      PHE  25 -10.119  14.207  -8.342
  200    HZ   PHE  25           HZ       PHE  25  -8.024  15.071  -9.307
  201    H    GLU  26           H        GLU  26  -9.035  11.832  -1.968
  202    HA   GLU  26           HA       GLU  26 -11.307  13.655  -1.593
  203   1HB   GLU  26          2HB       GLU  26 -11.237  10.696  -1.013
  204   2HB   GLU  26          1HB       GLU  26 -12.652  11.730  -1.144
  205   1HG   GLU  26          2HG       GLU  26 -12.168  12.070  -3.519
  206   2HG   GLU  26          1HG       GLU  26 -10.778  10.994  -3.378
  207    H    GLY  27           H        GLY  27  -9.436  14.543  -0.078
  208   1HA   GLY  27          1HA       GLY  27 -10.354  14.523   2.508
  209   2HA   GLY  27          2HA       GLY  27  -8.708  14.947   2.065
  210    H    GLY  28           H        GLY  28  -7.933  12.392   1.067
  211   1HA   GLY  28          2HA       GLY  28  -7.746  10.117   1.856
  212   2HA   GLY  28          1HA       GLY  28  -8.148  10.695   3.468
  213    H    HIS  29           H        HIS  29  -6.084   9.209   3.619
  214    HA   HIS  29           HA       HIS  29  -3.641  10.738   3.154
  215   1HB   HIS  29          2HB       HIS  29  -3.459   9.665   5.794
  216   2HB   HIS  29          1HB       HIS  29  -3.344  11.345   5.282
  217    HD1  HIS  29           HD1      HIS  29  -5.797  12.560   5.016
  218    HD2  HIS  29           HD2      HIS  29  -5.592   9.153   7.388
  219    HE1  HIS  29           HE1      HIS  29  -7.860  12.616   6.453
  220    HE2  HIS  29           HE2      HIS  29  -7.671  10.590   7.938
  221    H    LEU  30           H        LEU  30  -1.949   9.482   2.643
  222    HA   LEU  30           HA       LEU  30  -2.169   6.865   1.902
  223   1HB   LEU  30          2HB       LEU  30  -0.111   8.778   2.108
  224   2HB   LEU  30          1HB       LEU  30   0.486   7.331   2.894
  225    HG   LEU  30           HG       LEU  30  -0.657   7.360   0.107
  226   1HD1  LEU  30          2HD1      LEU  30   1.763   8.475   0.951
  227   2HD1  LEU  30          1HD1      LEU  30   2.182   6.911   0.248
  228   3HD1  LEU  30          3HD1      LEU  30   1.278   8.092  -0.701
  229   1HD2  LEU  30          3HD2      LEU  30   0.032   5.288   1.928
  230   2HD2  LEU  30          2HD2      LEU  30  -0.543   5.151   0.264
  231   3HD2  LEU  30          1HD2      LEU  30   1.187   5.265   0.594
  232    H    ALA  31           H        ALA  31  -1.828   4.880   2.807
  233    HA   ALA  31           HA       ALA  31  -2.031   4.737   5.697
  234   1HB   ALA  31          3HB       ALA  31  -2.929   3.147   3.546
  235   2HB   ALA  31          2HB       ALA  31  -1.812   2.157   4.485
  236   3HB   ALA  31          1HB       ALA  31  -3.206   2.902   5.270
  237    H    THR  32           H        THR  32  -0.519   3.800   7.061
  238    HA   THR  32           HA       THR  32   2.187   3.615   5.954
  239    HB   THR  32           HB       THR  32   3.010   3.861   8.196
  240    HG1  THR  32           HG1      THR  32   1.618   3.859   9.972
  241   1HG2  THR  32          1HG2      THR  32   0.832   5.733   7.364
  242   2HG2  THR  32          3HG2      THR  32   1.668   5.981   8.897
  243   3HG2  THR  32          2HG2      THR  32   2.578   5.983   7.385
  244    H    TYR  33           H        TYR  33   3.484   2.099   7.738
  245    HA   TYR  33           HA       TYR  33   2.808  -0.558   6.949
  246   1HB   TYR  33          2HB       TYR  33   5.122  -0.082   7.242
  247   2HB   TYR  33          1HB       TYR  33   4.857   0.577   8.848
  248    HD1  TYR  33           HD1      TYR  33   4.358  -2.642   7.000
  249    HD2  TYR  33           HD2      TYR  33   5.442  -0.731  10.646
  250    HE1  TYR  33           HE1      TYR  33   4.877  -4.831   7.987
  251    HE2  TYR  33           HE2      TYR  33   5.964  -2.918  11.643
  252    HH   TYR  33           HH       TYR  33   6.274  -5.110  11.220
  253    H    LYS  34           H        LYS  34   3.309   0.703  10.215
  254    HA   LYS  34           HA       LYS  34   2.081  -1.254  11.658
  255   1HB   LYS  34          2HB       LYS  34   1.753   1.661  12.347
  256   2HB   LYS  34          1HB       LYS  34   1.859   0.299  13.449
  257   1HG   LYS  34          2HG       LYS  34   4.229   0.292  11.931
  258   2HG   LYS  34          1HG       LYS  34   3.941   1.959  12.431
  259   1HD   LYS  34          2HD       LYS  34   3.739   1.253  14.748
  260   2HD   LYS  34          1HD       LYS  34   3.957  -0.432  14.270
  261   1HE   LYS  34          2HE       LYS  34   6.195  -0.172  13.856
  262   2HE   LYS  34          1HE       LYS  34   6.036   1.545  13.484
  263   1HZ   LYS  34          2HZ       LYS  34   5.316   1.339  16.113
  264   2HZ   LYS  34          1HZ       LYS  34   6.629   0.282  15.972
  265   3HZ   LYS  34          3HZ       LYS  34   6.797   1.905  15.524
  266    H    GLN  35           H        GLN  35   0.552   1.445   9.971
  267    HA   GLN  35           HA       GLN  35  -2.060   1.007  10.962
  268   1HB   GLN  35          2HB       GLN  35  -1.043   2.357   8.460
  269   2HB   GLN  35          1HB       GLN  35  -2.736   2.334   8.923
  270   1HG   GLN  35          2HG       GLN  35  -2.123   3.450  11.046
  271   2HG   GLN  35          1HG       GLN  35  -0.467   3.570  10.457
  272   1HE2  GLN  35          1HE2      GLN  35  -1.491   5.866  11.110
  273   2HE2  GLN  35          2HE2      GLN  35  -1.986   6.791   9.738
  274    H    LEU  36           H        LEU  36  -0.562   0.166   7.841
  275    HA   LEU  36           HA       LEU  36  -2.691  -1.347   6.842
  276   1HB   LEU  36          2HB       LEU  36  -0.073  -0.704   6.038
  277   2HB   LEU  36          1HB       LEU  36  -0.148  -2.453   6.044
  278    HG   LEU  36           HG       LEU  36  -0.678  -1.405   3.842
  279   1HD1  LEU  36          2HD1      LEU  36  -1.895  -3.548   5.130
  280   2HD1  LEU  36          1HD1      LEU  36  -3.217  -2.669   4.365
  281   3HD1  LEU  36          3HD1      LEU  36  -1.857  -3.234   3.396
  282   1HD2  LEU  36          1HD2      LEU  36  -2.844  -0.186   5.487
  283   2HD2  LEU  36          3HD2      LEU  36  -1.853   0.530   4.215
  284   3HD2  LEU  36          2HD2      LEU  36  -3.159  -0.579   3.798
  285    H    GLU  37           H        GLU  37  -0.447  -1.967   9.328
  286    HA   GLU  37           HA       GLU  37  -0.559  -4.825   9.274
  287   1HB   GLU  37          2HB       GLU  37   1.309  -3.544  10.301
  288   2HB   GLU  37          1HB       GLU  37   0.203  -2.982  11.544
  289   1HG   GLU  37          2HG       GLU  37  -0.189  -5.584  11.842
  290   2HG   GLU  37          1HG       GLU  37   1.437  -5.646  11.165
  291    H    ALA  38           H        ALA  38  -1.793  -2.469  11.626
  292    HA   ALA  38           HA       ALA  38  -3.444  -4.202  13.022
  293   1HB   ALA  38          3HB       ALA  38  -2.752  -1.675  13.415
  294   2HB   ALA  38          1HB       ALA  38  -4.192  -2.371  14.159
  295   3HB   ALA  38          2HB       ALA  38  -4.339  -1.390  12.701
  296    H    ALA  39           H        ALA  39  -3.775  -3.020   9.872
  297    HA   ALA  39           HA       ALA  39  -6.673  -3.411   9.799
  298   1HB   ALA  39          2HB       ALA  39  -4.812  -2.590   7.571
  299   2HB   ALA  39          3HB       ALA  39  -5.654  -1.463   8.637
  300   3HB   ALA  39          1HB       ALA  39  -6.574  -2.515   7.561
  301    H    ARG  40           H        ARG  40  -3.684  -4.871   8.903
  302    HA   ARG  40           HA       ARG  40  -4.721  -6.799   7.085
  303   1HB   ARG  40          2HB       ARG  40  -2.412  -6.249   6.922
  304   2HB   ARG  40          1HB       ARG  40  -2.151  -6.543   8.636
  305   1HG   ARG  40          2HG       ARG  40  -2.682  -8.958   8.201
  306   2HG   ARG  40          1HG       ARG  40  -2.667  -8.578   6.479
  307   1HD   ARG  40          2HD       ARG  40  -0.521  -9.454   7.090
  308   2HD   ARG  40          1HD       ARG  40  -0.350  -7.738   6.733
  309    HE   ARG  40           HE       ARG  40   0.082  -7.327   8.983
  310   1HH1  ARG  40          1HH1      ARG  40  -0.691 -10.679   8.434
  311   2HH1  ARG  40          2HH1      ARG  40  -0.117 -11.198   9.983
  312   1HH2  ARG  40          1HH2      ARG  40   0.839  -8.002  11.027
  313   2HH2  ARG  40          2HH2      ARG  40   0.751  -9.677  11.458
  314    H    LYS  41           H        LYS  41  -4.098  -6.673  10.549
  315    HA   LYS  41           HA       LYS  41  -4.466  -9.404  11.055
  316   1HB   LYS  41          2HB       LYS  41  -5.159  -7.402  13.127
  317   2HB   LYS  41          1HB       LYS  41  -4.197  -8.869  13.263
  318   1HG   LYS  41          2HG       LYS  41  -2.303  -7.845  12.401
  319   2HG   LYS  41          1HG       LYS  41  -3.231  -6.541  11.680
  320   1HD   LYS  41          2HD       LYS  41  -2.398  -5.426  13.491
  321   2HD   LYS  41          1HD       LYS  41  -3.864  -6.090  14.218
  322   1HE   LYS  41          2HE       LYS  41  -2.081  -8.123  14.581
  323   2HE   LYS  41          1HE       LYS  41  -1.050  -6.703  14.749
  324   1HZ   LYS  41          3HZ       LYS  41  -3.554  -7.197  16.266
  325   2HZ   LYS  41          2HZ       LYS  41  -1.986  -7.383  16.871
  326   3HZ   LYS  41          1HZ       LYS  41  -2.546  -5.848  16.434
  327    H    ILE  42           H        ILE  42  -6.688  -6.896  10.361
  328    HA   ILE  42           HA       ILE  42  -8.938  -8.183  11.658
  329    HB   ILE  42           HB       ILE  42 -10.235  -6.340  10.962
  330   1HG1  ILE  42          2HG1      ILE  42  -8.289  -4.968   9.274
  331   2HG1  ILE  42          1HG1      ILE  42  -8.784  -6.518   8.609
  332   1HG2  ILE  42          2HG2      ILE  42  -7.415  -5.525  11.614
  333   2HG2  ILE  42          1HG2      ILE  42  -8.731  -4.355  11.489
  334   3HG2  ILE  42          3HG2      ILE  42  -8.804  -5.639  12.696
  335   1HD1  ILE  42          3HD1      ILE  42 -11.109  -5.170   9.508
  336   2HD1  ILE  42          2HD1      ILE  42 -10.154  -4.049   8.536
  337   3HD1  ILE  42          1HD1      ILE  42 -10.647  -5.603   7.862
  338    H    GLY  43           H        GLY  43  -7.303  -8.352   8.678
  339   1HA   GLY  43          1HA       GLY  43  -9.635  -9.622   7.389
  340   2HA   GLY  43          2HA       GLY  43  -8.064 -10.414   7.416
  341    H    PHE  44           H        PHE  44  -7.006  -7.473   7.157
  342    HA   PHE  44           HA       PHE  44  -7.715  -6.849   4.425
  343   1HB   PHE  44          2HB       PHE  44  -7.149  -5.162   6.284
  344   2HB   PHE  44          1HB       PHE  44  -5.467  -5.582   5.978
  345    HD1  PHE  44           HD1      PHE  44  -7.237  -5.870   2.975
  346    HD2  PHE  44           HD2      PHE  44  -5.574  -2.973   5.613
  347    HE1  PHE  44           HE1      PHE  44  -7.165  -4.240   1.135
  348    HE2  PHE  44           HE2      PHE  44  -5.501  -1.337   3.777
  349    HZ   PHE  44           HZ       PHE  44  -6.295  -1.971   1.534
  350    H    HIS  45           H        HIS  45  -6.833  -7.814   2.740
  351    HA   HIS  45           HA       HIS  45  -3.986  -8.509   2.814
  352   1HB   HIS  45          2HB       HIS  45  -5.216 -10.563   3.350
  353   2HB   HIS  45          1HB       HIS  45  -6.191 -10.371   1.900
  354    HD1  HIS  45           HD1      HIS  45  -4.383 -12.867   2.504
  355    HD2  HIS  45           HD2      HIS  45  -3.350  -9.672   0.058
  356    HE1  HIS  45           HE1      HIS  45  -2.635 -13.758   0.933
  357    HE2  HIS  45           HE2      HIS  45  -1.952 -11.781  -0.467
  358    H    VAL  46           H        VAL  46  -2.937  -7.856   1.047
  359    HA   VAL  46           HA       VAL  46  -4.318  -7.691  -1.509
  360    HB   VAL  46           HB       VAL  46  -2.757  -5.264  -1.061
  361   1HG1  VAL  46          1HG1      VAL  46  -5.026  -6.200  -2.563
  362   2HG1  VAL  46          3HG1      VAL  46  -5.387  -4.660  -1.781
  363   3HG1  VAL  46          2HG1      VAL  46  -3.991  -4.800  -2.849
  364   1HG2  VAL  46          3HG2      VAL  46  -3.711  -5.500   1.197
  365   2HG2  VAL  46          2HG2      VAL  46  -4.370  -4.108   0.334
  366   3HG2  VAL  46          1HG2      VAL  46  -5.325  -5.585   0.490
  367    H    CYS  47           H        CYS  47  -2.985  -9.063  -2.558
  368    HA   CYS  47           HA       CYS  47  -0.152  -9.091  -2.172
  369   1HB   CYS  47          2HB       CYS  47  -1.285 -10.311  -4.621
  370   2HB   CYS  47          1HB       CYS  47  -0.164 -10.983  -3.442
  371    H    ALA  48           H        ALA  48  -0.115  -6.658  -2.600
  372    HA   ALA  48           HA       ALA  48   1.054  -6.229  -5.175
  373   1HB   ALA  48          1HB       ALA  48  -1.527  -4.792  -4.569
  374   2HB   ALA  48          3HB       ALA  48  -0.477  -4.501  -5.957
  375   3HB   ALA  48          2HB       ALA  48  -1.307  -6.049  -5.787
  376    H    ALA  49           H        ALA  49   2.724  -4.947  -4.791
  377    HA   ALA  49           HA       ALA  49   3.423  -3.747  -2.463
  378   1HB   ALA  49          2HB       ALA  49   5.227  -3.244  -3.651
  379   2HB   ALA  49          1HB       ALA  49   4.368  -3.703  -5.121
  380   3HB   ALA  49          3HB       ALA  49   4.323  -2.032  -4.560
  381    H    GLY  50           H        GLY  50   2.332  -2.355  -1.233
  382   1HA   GLY  50          2HA       GLY  50   0.404  -0.881  -1.010
  383   2HA   GLY  50          1HA       GLY  50   0.815  -0.210  -2.579
  384    H    TRP  51           H        TRP  51   1.590   1.759  -2.451
  385    HA   TRP  51           HA       TRP  51   3.873   2.496  -1.050
  386   1HB   TRP  51          2HB       TRP  51   1.643   4.063  -2.306
  387   2HB   TRP  51          1HB       TRP  51   2.943   4.884  -1.445
  388    HD1  TRP  51           HD1      TRP  51   2.099   3.403  -4.755
  389    HE1  TRP  51           HE1      TRP  51   4.170   3.465  -6.300
  390    HE3  TRP  51           HE3      TRP  51   5.655   4.602  -1.290
  391    HZ2  TRP  51           HZ2      TRP  51   6.947   3.956  -6.063
  392    HZ3  TRP  51           HZ3      TRP  51   7.989   4.851  -2.018
  393    HH2  TRP  51           HH2      TRP  51   8.623   4.532  -4.357
  394    H    MET  52           H        MET  52   4.043   4.239   0.580
  395    HA   MET  52           HA       MET  52   1.882   4.611   2.434
  396   1HB   MET  52          2HB       MET  52   3.645   3.729   4.284
  397   2HB   MET  52          1HB       MET  52   2.351   2.741   3.620
  398   1HG   MET  52          2HG       MET  52   3.904   1.802   1.988
  399   2HG   MET  52          1HG       MET  52   5.202   2.790   2.659
  400   1HE   MET  52          2HE       MET  52   2.693   0.207   2.963
  401   2HE   MET  52          1HE       MET  52   3.745  -1.127   3.439
  402   3HE   MET  52          3HE       MET  52   2.729  -0.333   4.642
  403    H    ALA  53           H        ALA  53   2.596   5.984   4.307
  404    HA   ALA  53           HA       ALA  53   3.779   8.314   3.488
  405   1HB   ALA  53          2HB       ALA  53   4.349   8.432   6.112
  406   2HB   ALA  53          3HB       ALA  53   3.184   7.107   6.111
  407   3HB   ALA  53          1HB       ALA  53   2.731   8.679   5.452
  408    H    LYS  54           H        LYS  54   5.802   9.335   4.062
  409    HA   LYS  54           HA       LYS  54   8.063   9.457   4.387
  410   1HB   LYS  54          2HB       LYS  54   7.405   7.026   5.687
  411   2HB   LYS  54          1HB       LYS  54   8.832   6.721   4.708
  412   1HG   LYS  54          2HG       LYS  54   9.952   7.495   6.475
  413   2HG   LYS  54          1HG       LYS  54   9.483   9.085   5.877
  414   1HD   LYS  54          2HD       LYS  54   7.388   8.835   7.293
  415   2HD   LYS  54          1HD       LYS  54   8.191   7.457   8.051
  416   1HE   LYS  54          2HE       LYS  54   9.265   8.845   9.407
  417   2HE   LYS  54          1HE       LYS  54  10.044   9.589   8.010
  418   1HZ   LYS  54          3HZ       LYS  54   7.318  10.403   8.751
  419   2HZ   LYS  54          2HZ       LYS  54   8.633  11.024   9.614
  420   3HZ   LYS  54          1HZ       LYS  54   8.519  11.283   7.947
  421    H    GLY  55           H        GLY  55   6.621   7.098   2.290
  422   1HA   GLY  55          1HA       GLY  55   8.868   7.492   0.418
  423   2HA   GLY  55          2HA       GLY  55   7.201   7.202  -0.065
  424    H    ARG  56           H        ARG  56   7.079   5.170   2.205
  425    HA   ARG  56           HA       ARG  56   8.769   3.049   1.127
  426   1HB   ARG  56          2HB       ARG  56   7.313   3.518   3.664
  427   2HB   ARG  56          1HB       ARG  56   7.415   1.847   3.127
  428   1HG   ARG  56          2HG       ARG  56   9.630   1.709   3.530
  429   2HG   ARG  56          1HG       ARG  56   9.930   3.385   3.068
  430   1HD   ARG  56          2HD       ARG  56   9.651   4.146   5.167
  431   2HD   ARG  56          1HD       ARG  56   8.317   3.043   5.497
  432    HE   ARG  56           HE       ARG  56  11.168   2.483   5.850
  433   1HH1  ARG  56          2HH1      ARG  56   7.847   1.475   6.132
  434   2HH1  ARG  56          1HH1      ARG  56   8.202   0.154   7.194
  435   1HH2  ARG  56          2HH2      ARG  56  11.649   0.745   7.246
  436   2HH2  ARG  56          1HH2      ARG  56  10.365  -0.262   7.827
  437    H    VAL  57           H        VAL  57   7.823   0.918   0.736
  438    HA   VAL  57           HA       VAL  57   5.002   0.721   0.221
  439    HB   VAL  57           HB       VAL  57   5.397   1.741  -1.822
  440   1HG1  VAL  57          1HG1      VAL  57   8.076   0.533  -1.593
  441   2HG1  VAL  57          3HG1      VAL  57   7.447   0.761  -3.225
  442   3HG1  VAL  57          2HG1      VAL  57   7.593   2.142  -2.136
  443   1HG2  VAL  57          1HG2      VAL  57   5.381  -1.210  -1.957
  444   2HG2  VAL  57          3HG2      VAL  57   4.237  -0.036  -2.611
  445   3HG2  VAL  57          2HG2      VAL  57   5.752  -0.356  -3.456
  446    H    GLY  58           H        GLY  58   4.645  -1.187   1.155
  447   1HA   GLY  58          2HA       GLY  58   5.641  -3.233   2.084
  448   2HA   GLY  58          1HA       GLY  58   6.524  -3.391   0.573
  449    H    TYR  59           H        TYR  59   5.104  -5.518   1.459
  450    HA   TYR  59           HA       TYR  59   2.619  -5.490  -0.110
  451   1HB   TYR  59          2HB       TYR  59   4.093  -8.023  -0.247
  452   2HB   TYR  59          1HB       TYR  59   3.273  -7.124  -1.521
  453    HD1  TYR  59           HD1      TYR  59   4.535  -4.857  -2.196
  454    HD2  TYR  59           HD2      TYR  59   6.378  -8.257  -0.424
  455    HE1  TYR  59           HE1      TYR  59   6.707  -4.143  -3.099
  456    HE2  TYR  59           HE2      TYR  59   8.555  -7.552  -1.322
  457    HH   TYR  59           HH       TYR  59   9.638  -5.425  -2.071
  458    HA   PRO  60           HA       PRO  60   1.751  -7.238   4.059
  459   1HB   PRO  60          2HB       PRO  60  -0.835  -6.346   4.075
  460   2HB   PRO  60          1HB       PRO  60   0.535  -5.389   4.638
  461   1HG   PRO  60          2HG       PRO  60  -0.916  -5.274   2.035
  462   2HG   PRO  60          1HG       PRO  60  -0.271  -3.951   3.020
  463   1HD   PRO  60          2HD       PRO  60   0.979  -4.880   0.800
  464   2HD   PRO  60          1HD       PRO  60   1.855  -4.196   2.183
  465    H    ILE  61           H        ILE  61   1.400  -9.370   3.998
  466    HA   ILE  61           HA       ILE  61  -0.922 -10.362   2.490
  467    HB   ILE  61           HB       ILE  61   1.752 -11.764   2.579
  468   1HG1  ILE  61          2HG1      ILE  61   1.812  -9.705   1.202
  469   2HG1  ILE  61          1HG1      ILE  61   1.996 -11.165   0.235
  470   1HG2  ILE  61          2HG2      ILE  61  -0.474 -13.063   2.388
  471   2HG2  ILE  61          1HG2      ILE  61  -0.519 -12.418   0.746
  472   3HG2  ILE  61          3HG2      ILE  61   0.831 -13.431   1.260
  473   1HD1  ILE  61          1HD1      ILE  61  -0.680 -10.809   0.115
  474   2HD1  ILE  61          3HD1      ILE  61  -0.115  -9.141   0.210
  475   3HD1  ILE  61          2HD1      ILE  61   0.469 -10.198  -1.075
  476    H    VAL  62           H        VAL  62  -2.271 -11.362   3.829
  477    HA   VAL  62           HA       VAL  62  -1.249 -12.466   6.344
  478    HB   VAL  62           HB       VAL  62  -4.086 -12.711   6.161
  479   1HG1  VAL  62          2HG1      VAL  62  -2.293 -10.913   7.787
  480   2HG1  VAL  62          1HG1      VAL  62  -4.008 -11.178   8.100
  481   3HG1  VAL  62          3HG1      VAL  62  -2.870 -12.519   8.235
  482   1HG2  VAL  62          2HG2      VAL  62  -3.801 -10.935   4.401
  483   2HG2  VAL  62          1HG2      VAL  62  -4.824 -10.490   5.768
  484   3HG2  VAL  62          3HG2      VAL  62  -3.169  -9.887   5.671
  485    H    LYS  63           H        LYS  63  -2.587 -13.402   3.302
  486    HA   LYS  63           HA       LYS  63  -2.616 -16.210   4.194
  487   1HB   LYS  63          2HB       LYS  63  -4.832 -14.884   3.412
  488   2HB   LYS  63          1HB       LYS  63  -4.267 -15.460   1.850
  489   1HG   LYS  63          2HG       LYS  63  -5.008 -17.508   2.254
  490   2HG   LYS  63          1HG       LYS  63  -4.180 -17.568   3.812
  491   1HD   LYS  63          2HD       LYS  63  -6.513 -15.831   3.852
  492   2HD   LYS  63          1HD       LYS  63  -6.914 -17.492   3.414
  493   1HE   LYS  63          2HE       LYS  63  -6.239 -18.336   5.439
  494   2HE   LYS  63          1HE       LYS  63  -5.108 -17.017   5.733
  495   1HZ   LYS  63          1HZ       LYS  63  -7.677 -15.932   5.631
  496   2HZ   LYS  63          3HZ       LYS  63  -7.744 -17.283   6.646
  497   3HZ   LYS  63          2HZ       LYS  63  -6.643 -16.041   6.965
  498    HA   PRO  64           HA       PRO  64   0.950 -15.975   1.303
  499   1HB   PRO  64          2HB       PRO  64   0.699 -18.860   2.055
  500   2HB   PRO  64          1HB       PRO  64   2.148 -17.864   1.896
  501   1HG   PRO  64          2HG       PRO  64   1.108 -18.444   4.294
  502   2HG   PRO  64          1HG       PRO  64   1.858 -16.875   3.961
  503   1HD   PRO  64          1HD       PRO  64  -0.993 -17.556   4.335
  504   2HD   PRO  64          2HD       PRO  64  -0.163 -16.003   4.555
  505    H    GLY  65           H        GLY  65  -0.131 -15.579  -0.622
  506   1HA   GLY  65          2HA       GLY  65  -1.497 -16.063  -2.462
  507   2HA   GLY  65          1HA       GLY  65  -1.774 -17.669  -1.805
  508    HA   PRO  66           HA       PRO  66   1.277 -19.415  -4.448
  509   1HB   PRO  66          2HB       PRO  66  -0.137 -19.947  -6.697
  510   2HB   PRO  66          1HB       PRO  66  -0.347 -20.857  -5.197
  511   1HG   PRO  66          2HG       PRO  66  -2.003 -18.624  -6.308
  512   2HG   PRO  66          1HG       PRO  66  -2.530 -20.134  -5.543
  513   1HD   PRO  66          2HD       PRO  66  -2.465 -17.761  -4.226
  514   2HD   PRO  66          1HD       PRO  66  -2.198 -19.318  -3.415
  515    H    ASN  67           H        ASN  67  -0.690 -17.806  -6.908
  516    HA   ASN  67           HA       ASN  67   1.702 -16.642  -8.058
  517   1HB   ASN  67          2HB       ASN  67  -0.794 -15.862  -9.327
  518   2HB   ASN  67          1HB       ASN  67   0.580 -16.737  -9.999
  519   1HD2  ASN  67          1HD2      ASN  67  -2.441 -17.041  -8.272
  520   2HD2  ASN  67          2HD2      ASN  67  -2.690 -18.716  -8.614
  521    H    CYS  68           H        CYS  68  -0.480 -15.709  -5.735
  522    HA   CYS  68           HA       CYS  68  -1.076 -13.057  -6.312
  523   1HB   CYS  68          2HB       CYS  68  -1.265 -14.773  -4.063
  524   2HB   CYS  68          1HB       CYS  68  -0.475 -13.296  -3.520
  525    H    GLY  69           H        GLY  69   1.925 -14.514  -5.375
  526   1HA   GLY  69          1HA       GLY  69   3.206 -12.128  -4.465
  527   2HA   GLY  69          2HA       GLY  69   3.551 -12.437  -6.162
  528    H    PHE  70           H        PHE  70   3.092 -14.830  -3.605
  529    HA   PHE  70           HA       PHE  70   5.166 -16.482  -4.307
  530   1HB   PHE  70          2HB       PHE  70   6.312 -14.172  -3.428
  531   2HB   PHE  70          1HB       PHE  70   6.247 -15.103  -1.935
  532    HD1  PHE  70           HD1      PHE  70   7.321 -15.394  -5.487
  533    HD2  PHE  70           HD2      PHE  70   7.937 -16.592  -1.450
  534    HE1  PHE  70           HE1      PHE  70   9.351 -16.609  -6.161
  535    HE2  PHE  70           HE2      PHE  70   9.968 -17.810  -2.117
  536    HZ   PHE  70           HZ       PHE  70  10.678 -17.819  -4.476
  537    H    GLY  71           H        GLY  71   4.089 -14.993  -1.247
  538   1HA   GLY  71          1HA       GLY  71   3.445 -17.712  -0.285
  539   2HA   GLY  71          2HA       GLY  71   2.351 -16.355  -0.035
  540    H    LYS  72           H        LYS  72   4.213 -14.375   0.624
  541    HA   LYS  72           HA       LYS  72   5.856 -15.321   2.799
  542   1HB   LYS  72          2HB       LYS  72   5.245 -12.600   1.668
  543   2HB   LYS  72          1HB       LYS  72   6.162 -12.792   3.157
  544   1HG   LYS  72          2HG       LYS  72   7.349 -14.528   1.314
  545   2HG   LYS  72          1HG       LYS  72   7.033 -13.031   0.434
  546   1HD   LYS  72          2HD       LYS  72   8.118 -11.798   2.331
  547   2HD   LYS  72          1HD       LYS  72   8.597 -13.365   2.987
  548   1HE   LYS  72          2HE       LYS  72   9.266 -12.632   0.165
  549   2HE   LYS  72          1HE       LYS  72  10.261 -12.047   1.498
  550   1HZ   LYS  72          3HZ       LYS  72  10.177 -14.578   2.153
  551   2HZ   LYS  72          2HZ       LYS  72   9.917 -14.772   0.492
  552   3HZ   LYS  72          1HZ       LYS  72  11.313 -13.992   1.044
  553    H    THR  73           H        THR  73   5.673 -13.806   4.875
  554    HA   THR  73           HA       THR  73   2.855 -13.863   5.732
  555    HB   THR  73           HB       THR  73   4.204 -14.142   8.072
  556    HG1  THR  73           HG1      THR  73   5.614 -16.099   7.215
  557   1HG2  THR  73          3HG2      THR  73   2.585 -15.766   6.354
  558   2HG2  THR  73          2HG2      THR  73   3.809 -16.768   7.132
  559   3HG2  THR  73          1HG2      THR  73   2.711 -15.796   8.113
  560    H    GLY  74           H        GLY  74   2.070 -12.045   6.614
  561   1HA   GLY  74          2HA       GLY  74   3.733 -10.157   8.002
  562   2HA   GLY  74          1HA       GLY  74   2.018  -9.979   7.655
  563    H    ILE  75           H        ILE  75   3.513  -7.766   7.439
  564    HA   ILE  75           HA       ILE  75   3.286  -7.162   4.622
  565    HB   ILE  75           HB       ILE  75   4.149  -5.364   6.891
  566   1HG1  ILE  75          1HG1      ILE  75   1.460  -5.937   5.653
  567   2HG1  ILE  75          2HG1      ILE  75   1.918  -6.036   7.349
  568   1HG2  ILE  75          1HG2      ILE  75   4.221  -5.016   4.073
  569   2HG2  ILE  75          3HG2      ILE  75   2.969  -3.959   4.730
  570   3HG2  ILE  75          2HG2      ILE  75   4.620  -3.854   5.340
  571   1HD1  ILE  75          1HD1      ILE  75   2.273  -3.533   7.247
  572   2HD1  ILE  75          3HD1      ILE  75   1.442  -3.588   5.693
  573   3HD1  ILE  75          2HD1      ILE  75   0.609  -4.110   7.157
  574    H    ILE  76           H        ILE  76   4.884  -7.298   3.213
  575    HA   ILE  76           HA       ILE  76   7.630  -7.549   4.183
  576    HB   ILE  76           HB       ILE  76   6.721  -7.876   1.332
  577   1HG1  ILE  76          2HG1      ILE  76   5.358  -9.445   2.434
  578   2HG1  ILE  76          1HG1      ILE  76   6.768 -10.378   1.941
  579   1HG2  ILE  76          2HG2      ILE  76   9.228  -7.888   2.553
  580   2HG2  ILE  76          1HG2      ILE  76   8.856  -9.583   2.239
  581   3HG2  ILE  76          3HG2      ILE  76   8.835  -8.417   0.916
  582   1HD1  ILE  76          3HD1      ILE  76   7.684 -10.071   4.233
  583   2HD1  ILE  76          2HD1      ILE  76   6.150  -9.323   4.685
  584   3HD1  ILE  76          1HD1      ILE  76   6.190 -11.007   4.159
  585    H    ASP  77           H        ASP  77   7.866  -5.308   4.723
  586    HA   ASP  77           HA       ASP  77   8.080  -3.514   2.401
  587   1HB   ASP  77          2HB       ASP  77   6.567  -2.952   4.427
  588   2HB   ASP  77          1HB       ASP  77   8.074  -2.596   5.265
  589    H    TYR  78           H        TYR  78  10.080  -3.306   1.660
  590    HA   TYR  78           HA       TYR  78  12.372  -3.940   3.264
  591   1HB   TYR  78          2HB       TYR  78  12.163  -2.816   0.464
  592   2HB   TYR  78          1HB       TYR  78  13.637  -3.410   1.215
  593    HD1  TYR  78           HD1      TYR  78  10.147  -4.611   0.611
  594    HD2  TYR  78           HD2      TYR  78  14.299  -5.538   0.627
  595    HE1  TYR  78           HE1      TYR  78   9.637  -6.875  -0.200
  596    HE2  TYR  78           HE2      TYR  78  13.801  -7.805  -0.186
  597    HH   TYR  78           HH       TYR  78  11.418  -8.751  -1.656
  598    H    GLY  79           H        GLY  79  10.679  -1.064   2.297
  599   1HA   GLY  79          2HA       GLY  79  12.731   0.548   3.690
  600   2HA   GLY  79          1HA       GLY  79  11.003   0.890   3.751
  601    H    ILE  80           H        ILE  80  11.947   3.055   3.061
  602    HA   ILE  80           HA       ILE  80  11.220   3.650   0.469
  603    HB   ILE  80           HB       ILE  80  13.303   5.226   1.936
  604   1HG1  ILE  80          2HG1      ILE  80  10.337   5.235   2.492
  605   2HG1  ILE  80          1HG1      ILE  80  11.546   4.479   3.515
  606   1HG2  ILE  80          1HG2      ILE  80  11.646   5.643  -0.353
  607   2HG2  ILE  80          3HG2      ILE  80  11.213   6.811   0.896
  608   3HG2  ILE  80          2HG2      ILE  80  12.879   6.704   0.328
  609   1HD1  ILE  80          1HD1      ILE  80  12.276   7.199   3.021
  610   2HD1  ILE  80          3HD1      ILE  80  10.617   7.116   3.614
  611   3HD1  ILE  80          2HD1      ILE  80  11.926   6.394   4.550
  612    H    ARG  81           H        ARG  81  12.079   2.674  -1.235
  613    HA   ARG  81           HA       ARG  81  14.948   2.213  -1.405
  614   1HB   ARG  81          2HB       ARG  81  12.602   1.377  -3.094
  615   2HB   ARG  81          1HB       ARG  81  14.258   1.155  -3.644
  616   1HG   ARG  81          2HG       ARG  81  14.176   0.124  -1.042
  617   2HG   ARG  81          1HG       ARG  81  12.708  -0.446  -1.841
  618   1HD   ARG  81          2HD       ARG  81  14.482  -0.887  -3.802
  619   2HD   ARG  81          1HD       ARG  81  15.545  -1.062  -2.407
  620    HE   ARG  81           HE       ARG  81  13.326  -2.580  -1.835
  621   1HH1  ARG  81          1HH1      ARG  81  15.734  -2.491  -4.350
  622   2HH1  ARG  81          2HH1      ARG  81  15.655  -4.193  -4.665
  623   1HH2  ARG  81          2HH2      ARG  81  13.215  -4.821  -2.241
  624   2HH2  ARG  81          1HH2      ARG  81  14.223  -5.517  -3.465
  625    H    LEU  82           H        LEU  82  13.580   4.923  -1.601
  626    HA   LEU  82           HA       LEU  82  13.713   6.842  -2.830
  627   1HB   LEU  82          2HB       LEU  82  16.298   5.501  -2.957
  628   2HB   LEU  82          1HB       LEU  82  16.033   6.594  -4.297
  629    HG   LEU  82           HG       LEU  82  17.205   7.469  -2.158
  630   1HD1  LEU  82          1HD1      LEU  82  14.925   8.940  -3.470
  631   2HD1  LEU  82          3HD1      LEU  82  16.183   9.691  -2.488
  632   3HD1  LEU  82          2HD1      LEU  82  16.604   8.896  -4.006
  633   1HD2  LEU  82          1HD2      LEU  82  14.313   7.501  -1.318
  634   2HD2  LEU  82          3HD2      LEU  82  15.657   6.698  -0.506
  635   3HD2  LEU  82          2HD2      LEU  82  15.580   8.458  -0.550
  636    H    ASN  83           H        ASN  83  12.143   4.866  -4.042
  637    HA   ASN  83           HA       ASN  83  12.624   5.458  -6.886
  638   1HB   ASN  83          2HB       ASN  83  12.512   2.904  -5.638
  639   2HB   ASN  83          1HB       ASN  83  11.067   3.074  -6.630
  640   1HD2  ASN  83          1HD2      ASN  83  11.726   4.322  -8.799
  641   2HD2  ASN  83          2HD2      ASN  83  13.013   3.549  -9.653
  642    H    ARG  84           H        ARG  84  11.172   7.254  -5.617
  643    HA   ARG  84           HA       ARG  84   8.413   6.676  -5.356
  644   1HB   ARG  84          2HB       ARG  84   9.764   9.338  -5.830
  645   2HB   ARG  84          1HB       ARG  84   8.126   9.100  -5.247
  646   1HG   ARG  84          2HG       ARG  84   8.906   8.166  -3.198
  647   2HG   ARG  84          1HG       ARG  84  10.567   8.129  -3.791
  648   1HD   ARG  84          2HD       ARG  84   9.559  10.784  -4.036
  649   2HD   ARG  84          1HD       ARG  84   9.244  10.207  -2.401
  650    HE   ARG  84           HE       ARG  84  11.929   9.731  -3.336
  651   1HH1  ARG  84          2HH1      ARG  84   9.781  11.950  -1.727
  652   2HH1  ARG  84          1HH1      ARG  84  11.053  12.781  -0.895
  653   1HH2  ARG  84          2HH2      ARG  84  13.613  10.820  -2.244
  654   2HH2  ARG  84          1HH2      ARG  84  13.229  12.139  -1.190
  655    H    SER  85           H        SER  85  10.071   6.296  -8.008
  656    HA   SER  85           HA       SER  85   8.036   7.486  -9.775
  657   1HB   SER  85          2HB       SER  85  10.928   6.808 -10.363
  658   2HB   SER  85          1HB       SER  85   9.764   7.353 -11.571
  659    HG   SER  85           HG       SER  85   9.909   9.329 -10.832
  660    H    GLU  86           H        GLU  86   8.592   4.739  -8.297
  661    HA   GLU  86           HA       GLU  86   8.629   2.839 -10.437
  662   1HB   GLU  86          2HB       GLU  86   8.392   2.757  -7.483
  663   2HB   GLU  86          1HB       GLU  86   7.689   1.403  -8.358
  664   1HG   GLU  86          2HG       GLU  86  10.465   2.283  -8.994
  665   2HG   GLU  86          1HG       GLU  86  10.162   1.316  -7.551
  666    H    ARG  87           H        ARG  87   6.676   1.028  -9.899
  667    HA   ARG  87           HA       ARG  87   4.148   2.499 -10.100
  668   1HB   ARG  87          2HB       ARG  87   4.540   0.184 -11.926
  669   2HB   ARG  87          1HB       ARG  87   3.513   1.597 -12.106
  670   1HG   ARG  87          2HG       ARG  87   5.023   2.371 -13.535
  671   2HG   ARG  87          1HG       ARG  87   6.083   2.626 -12.148
  672   1HD   ARG  87          2HD       ARG  87   7.135   1.336 -13.994
  673   2HD   ARG  87          1HD       ARG  87   7.105   0.482 -12.451
  674    HE   ARG  87           HE       ARG  87   4.833  -0.190 -13.997
  675   1HH1  ARG  87          2HH1      ARG  87   8.265  -0.741 -13.788
  676   2HH1  ARG  87          1HH1      ARG  87   8.192  -2.300 -14.541
  677   1HH2  ARG  87          1HH2      ARG  87   4.724  -2.240 -14.990
  678   2HH2  ARG  87          2HH2      ARG  87   6.178  -3.151 -15.224
  679    H    TRP  88           H        TRP  88   2.852   1.776  -8.609
  680    HA   TRP  88           HA       TRP  88   2.350  -1.052  -8.293
  681   1HB   TRP  88          2HB       TRP  88   2.945   0.403  -5.745
  682   2HB   TRP  88          1HB       TRP  88   2.980  -1.325  -6.076
  683    HD1  TRP  88           HD1      TRP  88   5.171   1.729  -5.986
  684    HE1  TRP  88           HE1      TRP  88   7.600   1.053  -6.511
  685    HE3  TRP  88           HE3      TRP  88   4.358  -3.072  -7.538
  686    HZ2  TRP  88           HZ2      TRP  88   8.987  -1.219  -7.457
  687    HZ3  TRP  88           HZ3      TRP  88   6.287  -4.431  -8.233
  688    HH2  TRP  88           HH2      TRP  88   8.554  -3.522  -8.192
  689    H    ASP  89           H        ASP  89   1.038  -0.712  -5.747
  690    HA   ASP  89           HA       ASP  89  -1.323   0.752  -6.655
  691   1HB   ASP  89          2HB       ASP  89  -1.486  -0.880  -4.201
  692   2HB   ASP  89          1HB       ASP  89  -2.577  -0.794  -5.577
  693    H    ALA  90           H        ALA  90  -2.609   1.327  -4.355
  694    HA   ALA  90           HA       ALA  90  -0.746   2.804  -2.651
  695   1HB   ALA  90          2HB       ALA  90  -1.304   4.424  -4.323
  696   2HB   ALA  90          3HB       ALA  90  -2.159   4.847  -2.839
  697   3HB   ALA  90          1HB       ALA  90  -3.025   4.068  -4.164
  698    H    TYR  91           H        TYR  91  -1.326   2.741  -0.551
  699    HA   TYR  91           HA       TYR  91  -3.917   1.566   0.123
  700   1HB   TYR  91          2HB       TYR  91  -1.320   1.896   1.603
  701   2HB   TYR  91          1HB       TYR  91  -2.808   1.537   2.466
  702    HD1  TYR  91           HD1      TYR  91  -4.164  -0.535   1.524
  703    HD2  TYR  91           HD2      TYR  91  -0.015   0.147   0.875
  704    HE1  TYR  91           HE1      TYR  91  -3.852  -2.923   1.041
  705    HE2  TYR  91           HE2      TYR  91   0.307  -2.240   0.389
  706    HH   TYR  91           HH       TYR  91  -1.655  -4.210  -0.532
  707    H    CYS  92           H        CYS  92  -5.520   2.946   0.515
  708    HA   CYS  92           HA       CYS  92  -4.930   5.660   1.361
  709   1HB   CYS  92          2HB       CYS  92  -7.363   4.243   0.332
  710   2HB   CYS  92          1HB       CYS  92  -7.531   5.788   1.154
  711    H    TYR  93           H        TYR  93  -5.922   6.659   3.170
  712    HA   TYR  93           HA       TYR  93  -7.051   4.887   5.200
  713   1HB   TYR  93          2HB       TYR  93  -4.591   5.034   5.607
  714   2HB   TYR  93          1HB       TYR  93  -4.765   6.778   5.793
  715    HD1  TYR  93           HD1      TYR  93  -6.508   7.547   7.596
  716    HD2  TYR  93           HD2      TYR  93  -4.729   3.684   7.480
  717    HE1  TYR  93           HE1      TYR  93  -7.042   7.241   9.976
  718    HE2  TYR  93           HE2      TYR  93  -5.260   3.364   9.863
  719    HH   TYR  93           HH       TYR  93  -6.467   4.170  11.606
  720    H    ASN  94           H        ASN  94  -8.668   5.794   6.311
  721    HA   ASN  94           HA       ASN  94  -8.868   8.666   6.603
  722   1HB   ASN  94          2HB       ASN  94 -10.424   7.171   4.620
  723   2HB   ASN  94          1HB       ASN  94 -11.416   8.133   5.711
  724   1HD2  ASN  94          2HD2      ASN  94 -11.349   8.696   3.053
  725   2HD2  ASN  94          1HD2      ASN  94 -10.528  10.192   2.785
  726    HA   PRO  95           HA       PRO  95 -10.507   7.559  10.541
  727   1HB   PRO  95          2HB       PRO  95 -12.359   9.850  10.078
  728   2HB   PRO  95          1HB       PRO  95 -11.311   9.510  11.461
  729   1HG   PRO  95          2HG       PRO  95 -10.652  11.375   9.671
  730   2HG   PRO  95          1HG       PRO  95  -9.421  10.326  10.398
  731   1HD   PRO  95          1HD       PRO  95 -10.609  10.248   7.667
  732   2HD   PRO  95          2HD       PRO  95  -8.964   9.844   8.197
  733    H    HIS  96           H        HIS  96 -12.678   8.296   7.868
  734    HA   HIS  96           HA       HIS  96 -14.591   6.329   8.943
  735   1HB   HIS  96          2HB       HIS  96 -15.019   8.968   7.608
  736   2HB   HIS  96          1HB       HIS  96 -16.199   7.688   7.335
  737    HD1  HIS  96           HD1      HIS  96 -18.061   7.698   8.949
  738    HD2  HIS  96           HD2      HIS  96 -14.605   9.327  10.582
  739    HE1  HIS  96           HE1      HIS  96 -18.700   8.445  11.263
  740    HE2  HIS  96           HE2      HIS  96 -16.614   9.504  12.200
  741    H    ALA  97           H        ALA  97 -12.928   7.586   6.126
  742    HA   ALA  97           HA       ALA  97 -12.914   6.864   3.924
  743   1HB   ALA  97          3HB       ALA  97 -12.161   4.286   4.095
  744   2HB   ALA  97          1HB       ALA  97 -11.868   4.806   5.755
  745   3HB   ALA  97          2HB       ALA  97 -11.082   5.644   4.416
  746    H    LYS  98           H        LYS  98 -15.472   7.052   4.235
  747    HA   LYS  98           HA       LYS  98 -16.718   4.448   3.746
  748   1HB   LYS  98          2HB       LYS  98 -17.593   6.326   5.376
  749   2HB   LYS  98          1HB       LYS  98 -18.276   6.994   3.900
  750   1HG   LYS  98          2HG       LYS  98 -19.897   5.466   3.825
  751   2HG   LYS  98          1HG       LYS  98 -18.796   4.145   4.222
  752   1HD   LYS  98          2HD       LYS  98 -19.185   4.308   6.458
  753   2HD   LYS  98          1HD       LYS  98 -19.456   6.050   6.393
  754   1HE   LYS  98          2HE       LYS  98 -21.401   4.077   5.230
  755   2HE   LYS  98          1HE       LYS  98 -21.470   4.583   6.919
  756   1HZ   LYS  98          3HZ       LYS  98 -21.262   6.849   5.252
  757   2HZ   LYS  98          2HZ       LYS  98 -22.546   5.884   4.720
  758   3HZ   LYS  98          1HZ       LYS  98 -22.505   6.429   6.321

  No H/Q in entry =         758
  Start of MODEL   17
    1    H1   GLY   1          2H        GLY   1  -9.496   1.911   9.134
    2    H2   GLY   1          1H        GLY   1  -9.653   3.449   9.819
    3    H3   GLY   1          3H        GLY   1 -10.942   2.355   9.891
    4   1HA   GLY   1          1HA       GLY   1 -10.933   4.259   8.132
    5   2HA   GLY   1          2HA       GLY   1 -11.558   2.667   7.737
    6    H    VAL   2           H        VAL   2  -9.300   1.203   7.385
    7    HA   VAL   2           HA       VAL   2  -7.755   2.626   5.327
    8    HB   VAL   2           HB       VAL   2  -6.963  -0.106   6.171
    9   1HG1  VAL   2          1HG1      VAL   2  -5.641   2.414   5.275
   10   2HG1  VAL   2          3HG1      VAL   2  -4.707   1.203   6.152
   11   3HG1  VAL   2          2HG1      VAL   2  -5.495   0.777   4.632
   12   1HG2  VAL   2          1HG2      VAL   2  -7.282   2.091   8.051
   13   2HG2  VAL   2          3HG2      VAL   2  -6.991   0.377   8.346
   14   3HG2  VAL   2          2HG2      VAL   2  -5.638   1.454   8.002
   15    H    TYR   3           H        TYR   3  -7.749   1.977   3.234
   16    HA   TYR   3           HA       TYR   3  -9.013  -0.561   2.538
   17   1HB   TYR   3          2HB       TYR   3 -10.174   0.791   0.605
   18   2HB   TYR   3          1HB       TYR   3 -10.930   0.647   2.184
   19    HD1  TYR   3           HD1      TYR   3  -9.997   2.612   3.875
   20    HD2  TYR   3           HD2      TYR   3 -10.330   2.862  -0.358
   21    HE1  TYR   3           HE1      TYR   3 -10.108   5.063   4.034
   22    HE2  TYR   3           HE2      TYR   3 -10.440   5.313  -0.212
   23    HH   TYR   3           HH       TYR   3 -10.971   7.042   1.363
   24    H    HIS   4           H        HIS   4  -8.487  -1.365   0.498
   25    HA   HIS   4           HA       HIS   4  -5.932  -0.387  -0.504
   26   1HB   HIS   4          2HB       HIS   4  -6.238  -2.799  -0.007
   27   2HB   HIS   4          1HB       HIS   4  -7.475  -2.880  -1.256
   28    HD1  HIS   4           HD1      HIS   4  -6.515  -4.067  -3.193
   29    HD2  HIS   4           HD2      HIS   4  -3.771  -1.465  -1.469
   30    HE1  HIS   4           HE1      HIS   4  -4.461  -4.202  -4.638
   31    HE2  HIS   4           HE2      HIS   4  -2.830  -2.583  -3.604
   32    H    ARG   5           H        ARG   5  -5.550   0.229  -2.631
   33    HA   ARG   5           HA       ARG   5  -7.731   0.266  -4.537
   34   1HB   ARG   5          2HB       ARG   5  -6.751   2.705  -3.133
   35   2HB   ARG   5          1HB       ARG   5  -7.154   2.841  -4.838
   36   1HG   ARG   5          2HG       ARG   5  -9.076   1.654  -2.869
   37   2HG   ARG   5          1HG       ARG   5  -8.965   3.396  -3.126
   38   1HD   ARG   5          2HD       ARG   5  -9.197   1.684  -5.532
   39   2HD   ARG   5          1HD       ARG   5 -10.627   1.834  -4.511
   40    HE   ARG   5           HE       ARG   5  -9.561   4.389  -5.007
   41   1HH1  ARG   5          1HH1      ARG   5 -11.233   1.802  -6.631
   42   2HH1  ARG   5          2HH1      ARG   5 -12.000   2.845  -7.781
   43   1HH2  ARG   5          1HH2      ARG   5 -10.567   5.773  -6.517
   44   2HH2  ARG   5          2HH2      ARG   5 -11.621   5.102  -7.716
   45    H    GLU   6           H        GLU   6  -7.070   0.712  -6.674
   46    HA   GLU   6           HA       GLU   6  -4.150   0.613  -7.063
   47   1HB   GLU   6          2HB       GLU   6  -4.487  -0.669  -9.043
   48   2HB   GLU   6          1HB       GLU   6  -5.467  -1.410  -7.787
   49   1HG   GLU   6          2HG       GLU   6  -6.580   0.551  -9.767
   50   2HG   GLU   6          1HG       GLU   6  -6.528  -1.186 -10.064
   51    H    ALA   7           H        ALA   7  -3.990   1.134  -9.726
   52    HA   ALA   7           HA       ALA   7  -4.479   3.983  -9.772
   53   1HB   ALA   7          1HB       ALA   7  -2.749   4.079 -11.181
   54   2HB   ALA   7          3HB       ALA   7  -2.492   2.380 -10.784
   55   3HB   ALA   7          2HB       ALA   7  -3.414   2.820 -12.222
   56    H    ARG   8           H        ARG   8  -5.615   5.098 -11.412
   57    HA   ARG   8           HA       ARG   8  -8.125   4.113 -12.052
   58   1HB   ARG   8          2HB       ARG   8  -6.505   6.290 -13.378
   59   2HB   ARG   8          1HB       ARG   8  -8.200   5.983 -13.734
   60   1HG   ARG   8          2HG       ARG   8  -7.766   6.241 -10.894
   61   2HG   ARG   8          1HG       ARG   8  -7.168   7.653 -11.767
   62   1HD   ARG   8          2HD       ARG   8  -9.325   7.915 -12.860
   63   2HD   ARG   8          1HD       ARG   8  -9.929   6.471 -12.048
   64    HE   ARG   8           HE       ARG   8  -9.464   9.089 -10.846
   65   1HH1  ARG   8          1HH1      ARG   8 -10.357   5.745 -10.452
   66   2HH1  ARG   8          2HH1      ARG   8 -11.096   5.992  -8.903
   67   1HH2  ARG   8          1HH2      ARG   8 -10.433   9.423  -8.809
   68   2HH2  ARG   8          2HH2      ARG   8 -11.139   8.082  -7.971
   69    H    SER   9           H        SER   9  -5.096   3.685 -13.675
   70    HA   SER   9           HA       SER   9  -6.362   2.647 -16.082
   71   1HB   SER   9          2HB       SER   9  -3.603   3.447 -15.314
   72   2HB   SER   9          1HB       SER   9  -3.765   2.199 -16.549
   73    HG   SER   9           HG       SER   9  -3.791   4.108 -17.629
   74    H    GLY  10           H        GLY  10  -4.148   1.502 -13.547
   75   1HA   GLY  10          2HA       GLY  10  -3.989  -1.148 -14.413
   76   2HA   GLY  10          1HA       GLY  10  -5.357  -1.020 -13.319
   77    H    LYS  11           H        LYS  11  -3.745  -2.677 -12.323
   78    HA   LYS  11           HA       LYS  11  -2.668  -1.474  -9.991
   79   1HB   LYS  11          2HB       LYS  11  -3.629  -3.780 -10.104
   80   2HB   LYS  11          1HB       LYS  11  -2.207  -4.283 -11.010
   81   1HG   LYS  11          2HG       LYS  11  -0.779  -3.766  -9.129
   82   2HG   LYS  11          1HG       LYS  11  -2.162  -3.150  -8.221
   83   1HD   LYS  11          2HD       LYS  11  -2.276  -5.225  -7.376
   84   2HD   LYS  11          1HD       LYS  11  -3.020  -5.644  -8.920
   85   1HE   LYS  11          2HE       LYS  11  -0.092  -5.862  -8.233
   86   2HE   LYS  11          1HE       LYS  11  -1.231  -7.201  -8.371
   87   1HZ   LYS  11          1HZ       LYS  11  -1.500  -5.949 -10.745
   88   2HZ   LYS  11          3HZ       LYS  11   0.150  -5.745 -10.436
   89   3HZ   LYS  11          2HZ       LYS  11  -0.518  -7.298 -10.469
   90    H    TYR  12           H        TYR  12  -0.424  -1.783  -9.233
   91    HA   TYR  12           HA       TYR  12   1.783  -1.253  -9.443
   92   1HB   TYR  12          2HB       TYR  12   1.366  -3.228 -11.677
   93   2HB   TYR  12          1HB       TYR  12   2.951  -2.530 -11.358
   94    HD1  TYR  12           HD1      TYR  12   1.189  -2.794  -8.323
   95    HD2  TYR  12           HD2      TYR  12   3.363  -5.123 -11.144
   96    HE1  TYR  12           HE1      TYR  12   1.591  -4.498  -6.597
   97    HE2  TYR  12           HE2      TYR  12   3.770  -6.834  -9.425
   98    HH   TYR  12           HH       TYR  12   3.519  -7.400  -7.293
   99    H    LYS  13           H        LYS  13   0.140   0.713 -10.433
  100    HA   LYS  13           HA       LYS  13   1.802   1.823 -12.577
  101   1HB   LYS  13          2HB       LYS  13  -1.074   1.228 -12.663
  102   2HB   LYS  13          1HB       LYS  13  -0.665   2.866 -13.148
  103   1HG   LYS  13          2HG       LYS  13   1.167   1.497 -14.561
  104   2HG   LYS  13          1HG       LYS  13  -0.129   0.301 -14.486
  105   1HD   LYS  13          2HD       LYS  13  -1.344   2.774 -15.073
  106   2HD   LYS  13          1HD       LYS  13   0.072   2.644 -16.118
  107   1HE   LYS  13          2HE       LYS  13  -2.231   0.722 -15.877
  108   2HE   LYS  13          1HE       LYS  13  -1.759   1.672 -17.285
  109   1HZ   LYS  13          2HZ       LYS  13   0.454   0.170 -16.597
  110   2HZ   LYS  13          1HZ       LYS  13  -0.860  -0.890 -16.484
  111   3HZ   LYS  13          3HZ       LYS  13  -0.563  -0.061 -17.928
  112    H    LEU  14           H        LEU  14   0.886   2.112  -9.520
  113    HA   LEU  14           HA       LEU  14   0.564   5.035  -9.586
  114   1HB   LEU  14          2HB       LEU  14  -0.302   2.905  -7.684
  115   2HB   LEU  14          1HB       LEU  14  -0.027   4.525  -7.080
  116    HG   LEU  14           HG       LEU  14  -1.844   4.065  -9.420
  117   1HD1  LEU  14          3HD1      LEU  14  -2.383   2.630  -7.321
  118   2HD1  LEU  14          2HD1      LEU  14  -2.898   4.170  -6.629
  119   3HD1  LEU  14          1HD1      LEU  14  -3.664   3.563  -8.098
  120   1HD2  LEU  14          1HD2      LEU  14  -1.048   6.285  -7.749
  121   2HD2  LEU  14          3HD2      LEU  14  -1.921   6.281  -9.282
  122   3HD2  LEU  14          2HD2      LEU  14  -2.799   6.075  -7.767
  123    H    THR  15           H        THR  15   1.892   6.353  -8.441
  124    HA   THR  15           HA       THR  15   4.286   5.105  -7.256
  125    HB   THR  15           HB       THR  15   5.639   6.766  -8.100
  126    HG1  THR  15           HG1      THR  15   4.458   8.809  -8.913
  127   1HG2  THR  15          1HG2      THR  15   3.678   5.794  -9.922
  128   2HG2  THR  15          3HG2      THR  15   4.054   7.463 -10.352
  129   3HG2  THR  15          2HG2      THR  15   5.345   6.266 -10.251
  130    H    TYR  16           H        TYR  16   5.155   6.109  -5.354
  131    HA   TYR  16           HA       TYR  16   3.487   6.649  -3.316
  132   1HB   TYR  16          2HB       TYR  16   5.854   6.453  -2.919
  133   2HB   TYR  16          1HB       TYR  16   6.175   7.933  -3.816
  134    HD1  TYR  16           HD1      TYR  16   4.482   6.636  -0.769
  135    HD2  TYR  16           HD2      TYR  16   6.210  10.002  -2.724
  136    HE1  TYR  16           HE1      TYR  16   4.301   7.933   1.313
  137    HE2  TYR  16           HE2      TYR  16   6.032  11.306  -0.645
  138    HH   TYR  16           HH       TYR  16   5.515  11.261   1.520
  139    H    ALA  17           H        ALA  17   4.600   8.996  -5.699
  140    HA   ALA  17           HA       ALA  17   3.380  11.250  -4.467
  141   1HB   ALA  17          2HB       ALA  17   4.229  10.881  -7.336
  142   2HB   ALA  17          1HB       ALA  17   3.877  12.415  -6.540
  143   3HB   ALA  17          3HB       ALA  17   5.260  11.449  -6.022
  144    H    GLU  18           H        GLU  18   2.360   9.003  -7.019
  145    HA   GLU  18           HA       GLU  18  -0.068  10.409  -7.575
  146   1HB   GLU  18          2HB       GLU  18   0.768   7.579  -8.236
  147   2HB   GLU  18          1HB       GLU  18  -0.624   8.412  -8.905
  148   1HG   GLU  18          2HG       GLU  18   0.808  10.024  -9.989
  149   2HG   GLU  18          1HG       GLU  18   2.230   9.292  -9.247
  150    H    ALA  19           H        ALA  19   0.719   7.374  -5.909
  151    HA   ALA  19           HA       ALA  19  -1.761   6.551  -5.098
  152   1HB   ALA  19          3HB       ALA  19  -0.315   4.998  -4.385
  153   2HB   ALA  19          1HB       ALA  19  -0.233   5.959  -2.908
  154   3HB   ALA  19          2HB       ALA  19   0.983   6.174  -4.168
  155    H    LYS  20           H        LYS  20   0.386   8.816  -3.395
  156    HA   LYS  20           HA       LYS  20  -1.362   9.325  -1.238
  157   1HB   LYS  20          2HB       LYS  20   1.155   9.837  -1.473
  158   2HB   LYS  20          1HB       LYS  20   0.643  11.305  -2.291
  159   1HG   LYS  20          2HG       LYS  20   0.071  12.306  -0.380
  160   2HG   LYS  20          1HG       LYS  20  -0.715  10.858   0.253
  161   1HD   LYS  20          2HD       LYS  20   1.525   9.933   0.785
  162   2HD   LYS  20          1HD       LYS  20   2.241  11.461   0.264
  163   1HE   LYS  20          2HE       LYS  20   0.310  12.276   2.032
  164   2HE   LYS  20          1HE       LYS  20   0.884  10.776   2.758
  165   1HZ   LYS  20          2HZ       LYS  20   2.931  12.608   1.805
  166   2HZ   LYS  20          1HZ       LYS  20   2.052  13.117   3.157
  167   3HZ   LYS  20          3HZ       LYS  20   2.897  11.651   3.199
  168    H    ALA  21           H        ALA  21  -0.661  11.214  -4.168
  169    HA   ALA  21           HA       ALA  21  -2.302  13.358  -3.849
  170   1HB   ALA  21          3HB       ALA  21  -2.613  13.305  -6.353
  171   2HB   ALA  21          1HB       ALA  21  -1.735  11.775  -6.343
  172   3HB   ALA  21          2HB       ALA  21  -0.944  13.249  -5.784
  173    H    VAL  22           H        VAL  22  -3.268  10.091  -4.731
  174    HA   VAL  22           HA       VAL  22  -5.973  10.734  -5.335
  175    HB   VAL  22           HB       VAL  22  -4.529   8.167  -4.767
  176   1HG1  VAL  22          3HG1      VAL  22  -7.505   8.516  -5.087
  177   2HG1  VAL  22          2HG1      VAL  22  -6.664   6.974  -5.248
  178   3HG1  VAL  22          1HG1      VAL  22  -6.650   7.830  -3.706
  179   1HG2  VAL  22          1HG2      VAL  22  -5.183   9.686  -7.077
  180   2HG2  VAL  22          3HG2      VAL  22  -4.304   8.161  -6.974
  181   3HG2  VAL  22          2HG2      VAL  22  -6.057   8.157  -7.156
  182    H    CYS  23           H        CYS  23  -4.495   9.147  -2.513
  183    HA   CYS  23           HA       CYS  23  -6.842   9.037  -0.980
  184   1HB   CYS  23          2HB       CYS  23  -3.919   9.008  -0.239
  185   2HB   CYS  23          1HB       CYS  23  -5.193   8.858   0.964
  186    H    GLU  24           H        GLU  24  -4.195  11.398  -1.031
  187    HA   GLU  24           HA       GLU  24  -5.352  13.107   0.930
  188   1HB   GLU  24          2HB       GLU  24  -2.940  13.092   0.455
  189   2HB   GLU  24          1HB       GLU  24  -3.252  13.698  -1.165
  190   1HG   GLU  24          2HG       GLU  24  -4.124  15.766  -0.254
  191   2HG   GLU  24          1HG       GLU  24  -3.901  15.158   1.386
  192    H    PHE  25           H        PHE  25  -5.947  12.573  -2.376
  193    HA   PHE  25           HA       PHE  25  -6.723  15.042  -3.346
  194   1HB   PHE  25          2HB       PHE  25  -6.801  12.469  -4.281
  195   2HB   PHE  25          1HB       PHE  25  -8.513  12.839  -4.109
  196    HD1  PHE  25           HD1      PHE  25  -5.371  14.152  -5.585
  197    HD2  PHE  25           HD2      PHE  25  -9.620  14.025  -5.760
  198    HE1  PHE  25           HE1      PHE  25  -5.311  15.361  -7.725
  199    HE2  PHE  25           HE2      PHE  25  -9.571  15.238  -7.902
  200    HZ   PHE  25           HZ       PHE  25  -7.415  15.908  -8.889
  201    H    GLU  26           H        GLU  26  -8.666  12.670  -1.573
  202    HA   GLU  26           HA       GLU  26 -10.754  14.704  -1.213
  203   1HB   GLU  26          2HB       GLU  26 -10.967  11.749  -0.642
  204   2HB   GLU  26          1HB       GLU  26 -12.278  12.914  -0.755
  205   1HG   GLU  26          2HG       GLU  26 -11.753  13.232  -3.137
  206   2HG   GLU  26          1HG       GLU  26 -10.506  11.994  -3.004
  207    H    GLY  27           H        GLY  27  -8.730  15.333   0.304
  208   1HA   GLY  27          1HA       GLY  27  -9.656  15.498   2.875
  209   2HA   GLY  27          2HA       GLY  27  -7.956  15.627   2.451
  210    H    GLY  28           H        GLY  28  -7.484  13.018   1.560
  211   1HA   GLY  28          2HA       GLY  28  -7.931  10.736   2.475
  212   2HA   GLY  28          1HA       GLY  28  -7.888  11.496   4.062
  213    H    HIS  29           H        HIS  29  -6.234   9.606   4.154
  214    HA   HIS  29           HA       HIS  29  -3.604  10.583   3.283
  215   1HB   HIS  29          2HB       HIS  29  -3.166   9.168   5.643
  216   2HB   HIS  29          1HB       HIS  29  -3.107  10.911   5.436
  217    HD1  HIS  29           HD1      HIS  29  -6.026  11.658   5.313
  218    HD2  HIS  29           HD2      HIS  29  -4.506   8.853   7.971
  219    HE1  HIS  29           HE1      HIS  29  -7.678  11.564   7.206
  220    HE2  HIS  29           HE2      HIS  29  -6.782   9.797   8.762
  221    H    LEU  30           H        LEU  30  -2.158   9.036   2.589
  222    HA   LEU  30           HA       LEU  30  -3.303   6.507   1.863
  223   1HB   LEU  30          2HB       LEU  30  -1.784   6.563   0.263
  224   2HB   LEU  30          1HB       LEU  30  -1.224   8.101   0.891
  225    HG   LEU  30           HG       LEU  30   0.121   6.350   2.492
  226   1HD1  LEU  30          2HD1      LEU  30  -0.659   4.940   0.041
  227   2HD1  LEU  30          1HD1      LEU  30   1.061   4.876   0.423
  228   3HD1  LEU  30          3HD1      LEU  30  -0.124   4.306   1.598
  229   1HD2  LEU  30          3HD2      LEU  30   0.726   7.937   0.086
  230   2HD2  LEU  30          2HD2      LEU  30   1.497   7.937   1.673
  231   3HD2  LEU  30          1HD2      LEU  30   1.908   6.691   0.494
  232    H    ALA  31           H        ALA  31  -3.245   4.704   2.959
  233    HA   ALA  31           HA       ALA  31  -2.478   4.452   5.565
  234   1HB   ALA  31          2HB       ALA  31  -3.411   2.698   3.522
  235   2HB   ALA  31          1HB       ALA  31  -2.147   1.887   4.447
  236   3HB   ALA  31          3HB       ALA  31  -3.560   2.545   5.273
  237    H    THR  32           H        THR  32  -0.760   3.396   6.653
  238    HA   THR  32           HA       THR  32   1.799   3.534   5.202
  239    HB   THR  32           HB       THR  32   2.897   4.082   7.212
  240    HG1  THR  32           HG1      THR  32   2.051   3.705   9.210
  241   1HG2  THR  32          1HG2      THR  32   0.874   5.678   6.269
  242   2HG2  THR  32          3HG2      THR  32   0.524   5.593   7.995
  243   3HG2  THR  32          2HG2      THR  32   2.098   6.162   7.441
  244    H    TYR  33           H        TYR  33   3.267   2.224   7.271
  245    HA   TYR  33           HA       TYR  33   2.778  -0.519   6.515
  246   1HB   TYR  33          2HB       TYR  33   5.064   0.009   6.598
  247   2HB   TYR  33          1HB       TYR  33   4.901   0.887   8.111
  248    HD1  TYR  33           HD1      TYR  33   4.505  -2.579   6.759
  249    HD2  TYR  33           HD2      TYR  33   5.621  -0.127  10.054
  250    HE1  TYR  33           HE1      TYR  33   5.222  -4.577   7.998
  251    HE2  TYR  33           HE2      TYR  33   6.341  -2.120  11.301
  252    HH   TYR  33           HH       TYR  33   5.890  -4.542  11.318
  253    H    LYS  34           H        LYS  34   3.542   0.777   9.712
  254    HA   LYS  34           HA       LYS  34   2.434  -1.205  11.234
  255   1HB   LYS  34          2HB       LYS  34   2.700   1.744  11.776
  256   2HB   LYS  34          1HB       LYS  34   2.094   0.628  12.989
  257   1HG   LYS  34          2HG       LYS  34   4.494  -0.462  11.977
  258   2HG   LYS  34          1HG       LYS  34   4.784   1.245  12.315
  259   1HD   LYS  34          2HD       LYS  34   3.770   0.884  14.574
  260   2HD   LYS  34          1HD       LYS  34   3.734  -0.844  14.217
  261   1HE   LYS  34          2HE       LYS  34   6.210   0.877  14.236
  262   2HE   LYS  34          1HE       LYS  34   5.704  -0.187  15.547
  263   1HZ   LYS  34          3HZ       LYS  34   5.751  -1.634  13.132
  264   2HZ   LYS  34          2HZ       LYS  34   7.233  -0.842  13.324
  265   3HZ   LYS  34          1HZ       LYS  34   6.668  -1.882  14.533
  266    H    GLN  35           H        GLN  35   0.802   1.528   9.729
  267    HA   GLN  35           HA       GLN  35  -1.683   1.182  11.039
  268   1HB   GLN  35          2HB       GLN  35  -1.001   2.457   8.382
  269   2HB   GLN  35          1HB       GLN  35  -2.571   2.563   9.160
  270   1HG   GLN  35          2HG       GLN  35  -1.589   3.734  11.042
  271   2HG   GLN  35          1HG       GLN  35   0.010   3.584  10.316
  272   1HE2  GLN  35          1HE2      GLN  35  -0.917   6.034  11.004
  273   2HE2  GLN  35          2HE2      GLN  35  -1.280   6.956   9.589
  274    H    LEU  36           H        LEU  36  -0.625   0.295   7.750
  275    HA   LEU  36           HA       LEU  36  -2.914  -1.136   7.039
  276   1HB   LEU  36          2HB       LEU  36  -0.856  -0.443   5.617
  277   2HB   LEU  36          1HB       LEU  36  -0.168  -1.964   6.147
  278    HG   LEU  36           HG       LEU  36  -1.356  -1.890   3.868
  279   1HD1  LEU  36          2HD1      LEU  36  -1.947  -3.954   5.972
  280   2HD1  LEU  36          1HD1      LEU  36  -2.349  -4.167   4.269
  281   3HD1  LEU  36          3HD1      LEU  36  -0.667  -3.970   4.759
  282   1HD2  LEU  36          3HD2      LEU  36  -3.719  -1.857   5.731
  283   2HD2  LEU  36          2HD2      LEU  36  -3.354  -0.732   4.423
  284   3HD2  LEU  36          1HD2      LEU  36  -3.804  -2.397   4.054
  285    H    GLU  37           H        GLU  37  -0.322  -1.890   9.161
  286    HA   GLU  37           HA       GLU  37  -0.539  -4.711   9.187
  287   1HB   GLU  37          2HB       GLU  37   1.392  -3.423  10.096
  288   2HB   GLU  37          1HB       GLU  37   0.367  -2.885  11.418
  289   1HG   GLU  37          2HG       GLU  37   1.399  -4.640  12.420
  290   2HG   GLU  37          1HG       GLU  37  -0.002  -5.465  11.740
  291    H    ALA  38           H        ALA  38  -1.621  -2.339  11.599
  292    HA   ALA  38           HA       ALA  38  -3.225  -4.102  13.051
  293   1HB   ALA  38          1HB       ALA  38  -3.363  -2.340  14.399
  294   2HB   ALA  38          3HB       ALA  38  -2.555  -1.366  13.171
  295   3HB   ALA  38          2HB       ALA  38  -4.315  -1.465  13.199
  296    H    ALA  39           H        ALA  39  -3.668  -2.791   9.984
  297    HA   ALA  39           HA       ALA  39  -6.584  -3.034  10.051
  298   1HB   ALA  39          1HB       ALA  39  -4.787  -2.177   7.783
  299   2HB   ALA  39          3HB       ALA  39  -6.546  -2.049   7.839
  300   3HB   ALA  39          2HB       ALA  39  -5.556  -1.077   8.929
  301    H    ARG  40           H        ARG  40  -3.713  -4.579   8.942
  302    HA   ARG  40           HA       ARG  40  -4.901  -6.373   7.083
  303   1HB   ARG  40          2HB       ARG  40  -2.563  -5.947   6.892
  304   2HB   ARG  40          1HB       ARG  40  -2.291  -6.339   8.585
  305   1HG   ARG  40          2HG       ARG  40  -2.980  -8.693   8.047
  306   2HG   ARG  40          1HG       ARG  40  -2.960  -8.231   6.345
  307   1HD   ARG  40          2HD       ARG  40  -0.776  -8.605   6.275
  308   2HD   ARG  40          1HD       ARG  40  -0.530  -7.346   7.484
  309    HE   ARG  40           HE       ARG  40  -0.401 -10.177   7.891
  310   1HH1  ARG  40          2HH1      ARG  40  -1.084  -7.124   9.421
  311   2HH1  ARG  40          1HH1      ARG  40  -0.704  -7.689  11.013
  312   1HH2  ARG  40          2HH2      ARG  40   0.103 -10.931   9.985
  313   2HH2  ARG  40          1HH2      ARG  40  -0.029  -9.853  11.333
  314    H    LYS  41           H        LYS  41  -4.275  -6.361  10.516
  315    HA   LYS  41           HA       LYS  41  -4.722  -9.106  10.983
  316   1HB   LYS  41          2HB       LYS  41  -5.182  -6.859  12.941
  317   2HB   LYS  41          1HB       LYS  41  -4.823  -8.540  13.314
  318   1HG   LYS  41          2HG       LYS  41  -2.649  -8.023  11.914
  319   2HG   LYS  41          1HG       LYS  41  -3.019  -6.368  12.402
  320   1HD   LYS  41          2HD       LYS  41  -3.229  -8.300  14.582
  321   2HD   LYS  41          1HD       LYS  41  -1.609  -8.196  13.888
  322   1HE   LYS  41          2HE       LYS  41  -1.288  -6.070  14.606
  323   2HE   LYS  41          1HE       LYS  41  -2.986  -5.635  14.417
  324   1HZ   LYS  41          1HZ       LYS  41  -2.144  -7.487  16.551
  325   2HZ   LYS  41          3HZ       LYS  41  -2.020  -5.814  16.768
  326   3HZ   LYS  41          2HZ       LYS  41  -3.528  -6.519  16.470
  327    H    ILE  42           H        ILE  42  -6.850  -6.543  10.254
  328    HA   ILE  42           HA       ILE  42  -9.163  -7.826  11.474
  329    HB   ILE  42           HB       ILE  42 -10.395  -5.902  10.900
  330   1HG1  ILE  42          2HG1      ILE  42  -8.382  -4.484   9.320
  331   2HG1  ILE  42          1HG1      ILE  42  -8.936  -5.965   8.552
  332   1HG2  ILE  42          2HG2      ILE  42  -7.563  -5.202  11.633
  333   2HG2  ILE  42          1HG2      ILE  42  -8.851  -3.996  11.580
  334   3HG2  ILE  42          3HG2      ILE  42  -8.966  -5.360  12.693
  335   1HD1  ILE  42          1HD1      ILE  42 -10.869  -3.940   9.611
  336   2HD1  ILE  42          3HD1      ILE  42 -10.163  -3.802   8.002
  337   3HD1  ILE  42          2HD1      ILE  42 -11.138  -5.211   8.419
  338    H    GLY  43           H        GLY  43  -7.486  -7.756   8.502
  339   1HA   GLY  43          1HA       GLY  43  -9.814  -8.841   7.057
  340   2HA   GLY  43          2HA       GLY  43  -8.292  -9.721   7.079
  341    H    PHE  44           H        PHE  44  -7.028  -6.870   7.088
  342    HA   PHE  44           HA       PHE  44  -7.600  -5.966   4.399
  343   1HB   PHE  44          2HB       PHE  44  -6.974  -4.526   6.468
  344   2HB   PHE  44          1HB       PHE  44  -5.319  -4.979   6.080
  345    HD1  PHE  44           HD1      PHE  44  -5.387  -4.931   3.134
  346    HD2  PHE  44           HD2      PHE  44  -7.079  -2.270   5.986
  347    HE1  PHE  44           HE1      PHE  44  -5.274  -3.102   1.485
  348    HE2  PHE  44           HE2      PHE  44  -6.973  -0.439   4.349
  349    HZ   PHE  44           HZ       PHE  44  -6.071  -0.854   2.095
  350    H    HIS  45           H        HIS  45  -6.977  -7.942   3.310
  351    HA   HIS  45           HA       HIS  45  -4.060  -8.283   3.101
  352   1HB   HIS  45          2HB       HIS  45  -5.172 -10.306   3.868
  353   2HB   HIS  45          1HB       HIS  45  -6.286 -10.244   2.508
  354    HD1  HIS  45           HD1      HIS  45  -4.410 -12.677   3.105
  355    HD2  HIS  45           HD2      HIS  45  -3.616  -9.650   0.374
  356    HE1  HIS  45           HE1      HIS  45  -2.789 -13.664   1.454
  357    HE2  HIS  45           HE2      HIS  45  -2.260 -11.789  -0.139
  358    H    VAL  46           H        VAL  46  -3.100  -7.787   1.238
  359    HA   VAL  46           HA       VAL  46  -4.603  -7.873  -1.249
  360    HB   VAL  46           HB       VAL  46  -4.767  -5.687  -1.650
  361   1HG1  VAL  46          2HG1      VAL  46  -3.917  -5.546   1.227
  362   2HG1  VAL  46          1HG1      VAL  46  -4.446  -4.127   0.320
  363   3HG1  VAL  46          3HG1      VAL  46  -5.548  -5.483   0.561
  364   1HG2  VAL  46          1HG2      VAL  46  -1.916  -5.481  -0.738
  365   2HG2  VAL  46          3HG2      VAL  46  -2.546  -5.421  -2.386
  366   3HG2  VAL  46          2HG2      VAL  46  -2.858  -4.088  -1.272
  367    H    CYS  47           H        CYS  47  -3.393  -9.128  -2.478
  368    HA   CYS  47           HA       CYS  47  -0.563  -9.384  -2.120
  369   1HB   CYS  47          2HB       CYS  47  -2.590 -10.941  -3.249
  370   2HB   CYS  47          1HB       CYS  47  -1.559 -10.501  -4.607
  371    H    ALA  48           H        ALA  48  -0.028  -7.112  -2.494
  372    HA   ALA  48           HA       ALA  48   1.135  -6.664  -4.985
  373   1HB   ALA  48          2HB       ALA  48  -1.510  -6.368  -5.326
  374   2HB   ALA  48          3HB       ALA  48  -0.307  -5.459  -6.240
  375   3HB   ALA  48          1HB       ALA  48  -1.088  -4.726  -4.839
  376    H    ALA  49           H        ALA  49   2.729  -5.268  -4.630
  377    HA   ALA  49           HA       ALA  49   3.335  -4.071  -2.266
  378   1HB   ALA  49          1HB       ALA  49   5.160  -3.510  -3.398
  379   2HB   ALA  49          3HB       ALA  49   4.359  -3.998  -4.892
  380   3HB   ALA  49          2HB       ALA  49   4.248  -2.328  -4.336
  381    H    GLY  50           H        GLY  50   2.413  -2.541  -1.068
  382   1HA   GLY  50          2HA       GLY  50   0.379  -1.162  -0.861
  383   2HA   GLY  50          1HA       GLY  50   0.761  -0.518  -2.449
  384    H    TRP  51           H        TRP  51   1.525   1.471  -2.388
  385    HA   TRP  51           HA       TRP  51   3.787   2.295  -1.024
  386   1HB   TRP  51          2HB       TRP  51   1.488   3.775  -2.253
  387   2HB   TRP  51          1HB       TRP  51   2.739   4.656  -1.380
  388    HD1  TRP  51           HD1      TRP  51   1.974   3.242  -4.720
  389    HE1  TRP  51           HE1      TRP  51   4.049   3.383  -6.244
  390    HE3  TRP  51           HE3      TRP  51   5.491   4.408  -1.199
  391    HZ2  TRP  51           HZ2      TRP  51   6.811   3.921  -5.983
  392    HZ3  TRP  51           HZ3      TRP  51   7.822   4.720  -1.913
  393    HH2  TRP  51           HH2      TRP  51   8.469   4.479  -4.257
  394    H    MET  52           H        MET  52   3.912   4.071   0.607
  395    HA   MET  52           HA       MET  52   1.785   4.366   2.495
  396   1HB   MET  52          2HB       MET  52   3.649   3.448   4.282
  397   2HB   MET  52          1HB       MET  52   2.252   2.541   3.721
  398   1HG   MET  52          2HG       MET  52   4.134   2.062   1.773
  399   2HG   MET  52          1HG       MET  52   5.081   2.089   3.259
  400   1HE   MET  52          2HE       MET  52   5.546   0.168   4.503
  401   2HE   MET  52          1HE       MET  52   4.868  -1.434   4.213
  402   3HE   MET  52          3HE       MET  52   5.733  -0.597   2.925
  403    H    ALA  53           H        ALA  53   2.639   5.595   4.496
  404    HA   ALA  53           HA       ALA  53   3.730   7.998   3.708
  405   1HB   ALA  53          2HB       ALA  53   3.994   8.526   6.041
  406   2HB   ALA  53          3HB       ALA  53   3.953   6.816   6.472
  407   3HB   ALA  53          1HB       ALA  53   2.510   7.599   5.826
  408    H    LYS  54           H        LYS  54   5.780   9.003   4.513
  409    HA   LYS  54           HA       LYS  54   8.050   9.099   4.742
  410   1HB   LYS  54          2HB       LYS  54   7.449   6.570   5.786
  411   2HB   LYS  54          1HB       LYS  54   8.747   6.296   4.634
  412   1HG   LYS  54          2HG       LYS  54  10.094   6.814   6.333
  413   2HG   LYS  54          1HG       LYS  54   9.661   8.484   5.967
  414   1HD   LYS  54          2HD       LYS  54   7.796   7.023   7.726
  415   2HD   LYS  54          1HD       LYS  54   9.389   7.367   8.404
  416   1HE   LYS  54          2HE       LYS  54   7.645   9.449   7.104
  417   2HE   LYS  54          1HE       LYS  54   7.641   9.116   8.836
  418   1HZ   LYS  54          1HZ       LYS  54  10.158   9.752   7.439
  419   2HZ   LYS  54          3HZ       LYS  54   9.122  10.990   7.946
  420   3HZ   LYS  54          2HZ       LYS  54   9.781   9.920   9.079
  421    H    GLY  55           H        GLY  55   6.589   6.943   2.421
  422   1HA   GLY  55          1HA       GLY  55   8.673   7.737   0.491
  423   2HA   GLY  55          2HA       GLY  55   7.016   7.315   0.073
  424    H    ARG  56           H        ARG  56   7.316   5.066   2.143
  425    HA   ARG  56           HA       ARG  56   8.973   3.247   0.536
  426   1HB   ARG  56          2HB       ARG  56   9.152   1.848   2.456
  427   2HB   ARG  56          1HB       ARG  56   9.443   3.495   3.001
  428   1HG   ARG  56          2HG       ARG  56   7.184   3.635   3.872
  429   2HG   ARG  56          1HG       ARG  56   6.837   2.011   3.273
  430   1HD   ARG  56          2HD       ARG  56   7.426   1.376   5.347
  431   2HD   ARG  56          1HD       ARG  56   9.069   1.546   4.730
  432    HE   ARG  56           HE       ARG  56   9.310   3.512   5.950
  433   1HH1  ARG  56          2HH1      ARG  56   6.079   2.242   6.227
  434   2HH1  ARG  56          1HH1      ARG  56   5.658   3.249   7.572
  435   1HH2  ARG  56          1HH2      ARG  56   8.768   4.844   7.720
  436   2HH2  ARG  56          2HH2      ARG  56   7.188   4.730   8.421
  437    H    VAL  57           H        VAL  57   8.147   1.067   0.173
  438    HA   VAL  57           HA       VAL  57   5.261   0.739   0.364
  439    HB   VAL  57           HB       VAL  57   5.191   1.633  -1.753
  440   1HG1  VAL  57          3HG1      VAL  57   7.967   0.669  -1.942
  441   2HG1  VAL  57          2HG1      VAL  57   7.060   0.736  -3.453
  442   3HG1  VAL  57          1HG1      VAL  57   7.249   2.191  -2.474
  443   1HG2  VAL  57          3HG2      VAL  57   5.665  -1.320  -2.074
  444   2HG2  VAL  57          2HG2      VAL  57   4.125  -0.466  -1.961
  445   3HG2  VAL  57          1HG2      VAL  57   5.127  -0.290  -3.402
  446    H    GLY  58           H        GLY  58   4.855  -1.228   1.100
  447   1HA   GLY  58          2HA       GLY  58   5.935  -3.245   2.032
  448   2HA   GLY  58          1HA       GLY  58   6.801  -3.373   0.508
  449    H    TYR  59           H        TYR  59   5.439  -5.543   1.394
  450    HA   TYR  59           HA       TYR  59   2.942  -5.552  -0.163
  451   1HB   TYR  59          2HB       TYR  59   4.380  -8.087  -0.292
  452   2HB   TYR  59          1HB       TYR  59   3.642  -7.145  -1.584
  453    HD1  TYR  59           HD1      TYR  59   4.970  -5.018  -2.335
  454    HD2  TYR  59           HD2      TYR  59   6.693  -8.284  -0.222
  455    HE1  TYR  59           HE1      TYR  59   7.196  -4.357  -3.140
  456    HE2  TYR  59           HE2      TYR  59   8.925  -7.630  -1.020
  457    HH   TYR  59           HH       TYR  59   9.548  -5.857  -3.493
  458    HA   PRO  60           HA       PRO  60   2.063  -7.329   3.971
  459   1HB   PRO  60          2HB       PRO  60  -0.435  -6.297   4.140
  460   2HB   PRO  60          1HB       PRO  60   1.009  -5.378   4.569
  461   1HG   PRO  60          2HG       PRO  60  -0.632  -5.280   2.080
  462   2HG   PRO  60          1HG       PRO  60   0.123  -3.955   2.979
  463   1HD   PRO  60          2HD       PRO  60   1.171  -5.034   0.695
  464   2HD   PRO  60          1HD       PRO  60   2.147  -4.251   1.952
  465    H    ILE  61           H        ILE  61   1.480  -9.405   4.005
  466    HA   ILE  61           HA       ILE  61  -0.901 -10.237   2.501
  467    HB   ILE  61           HB       ILE  61   1.672 -11.822   2.564
  468   1HG1  ILE  61          2HG1      ILE  61   1.700  -9.743   1.125
  469   2HG1  ILE  61          1HG1      ILE  61   1.975 -11.253   0.262
  470   1HG2  ILE  61          1HG2      ILE  61  -0.565 -13.042   2.495
  471   2HG2  ILE  61          3HG2      ILE  61  -0.760 -12.352   0.882
  472   3HG2  ILE  61          2HG2      ILE  61   0.598 -13.425   1.225
  473   1HD1  ILE  61          1HD1      ILE  61  -0.726 -10.986   0.065
  474   2HD1  ILE  61          3HD1      ILE  61  -0.182  -9.309   0.005
  475   3HD1  ILE  61          2HD1      ILE  61   0.443 -10.479  -1.156
  476    H    VAL  62           H        VAL  62  -2.176 -10.508   4.277
  477    HA   VAL  62           HA       VAL  62  -1.361 -11.605   6.733
  478    HB   VAL  62           HB       VAL  62  -3.551 -10.303   6.024
  479   1HG1  VAL  62          3HG1      VAL  62  -4.389 -12.127   4.597
  480   2HG1  VAL  62          2HG1      VAL  62  -4.502 -13.162   6.021
  481   3HG1  VAL  62          1HG1      VAL  62  -5.506 -11.716   5.899
  482   1HG2  VAL  62          3HG2      VAL  62  -2.784 -10.837   8.317
  483   2HG2  VAL  62          2HG2      VAL  62  -4.536 -10.901   8.137
  484   3HG2  VAL  62          1HG2      VAL  62  -3.600 -12.395   8.192
  485    H    LYS  63           H        LYS  63  -2.934 -13.082   3.921
  486    HA   LYS  63           HA       LYS  63  -2.370 -15.727   5.092
  487   1HB   LYS  63          2HB       LYS  63  -4.684 -14.654   3.592
  488   2HB   LYS  63          1HB       LYS  63  -4.182 -16.282   3.163
  489   1HG   LYS  63          2HG       LYS  63  -4.302 -15.956   6.026
  490   2HG   LYS  63          1HG       LYS  63  -5.838 -15.536   5.262
  491   1HD   LYS  63          2HD       LYS  63  -6.151 -17.781   5.493
  492   2HD   LYS  63          1HD       LYS  63  -5.352 -17.771   3.921
  493   1HE   LYS  63          2HE       LYS  63  -3.289 -18.421   4.848
  494   2HE   LYS  63          1HE       LYS  63  -3.818 -18.050   6.487
  495   1HZ   LYS  63          1HZ       LYS  63  -5.592 -19.885   5.897
  496   2HZ   LYS  63          3HZ       LYS  63  -4.373 -20.400   4.842
  497   3HZ   LYS  63          2HZ       LYS  63  -4.065 -20.291   6.501
  498    HA   PRO  64           HA       PRO  64   0.786 -15.419   1.760
  499   1HB   PRO  64          2HB       PRO  64   1.214 -18.112   2.974
  500   2HB   PRO  64          1HB       PRO  64   2.400 -16.895   2.497
  501   1HG   PRO  64          2HG       PRO  64   1.741 -17.257   5.061
  502   2HG   PRO  64          1HG       PRO  64   2.088 -15.645   4.414
  503   1HD   PRO  64          2HD       PRO  64  -0.506 -16.851   5.196
  504   2HD   PRO  64          1HD       PRO  64  -0.011 -15.146   5.174
  505    H    GLY  65           H        GLY  65   0.173 -15.846  -0.260
  506   1HA   GLY  65          2HA       GLY  65  -1.323 -16.792  -1.849
  507   2HA   GLY  65          1HA       GLY  65  -1.556 -18.161  -0.772
  508    HA   PRO  66           HA       PRO  66   1.454 -20.488  -2.978
  509   1HB   PRO  66          2HB       PRO  66   0.109 -21.402  -5.141
  510   2HB   PRO  66          1HB       PRO  66  -0.211 -21.983  -3.505
  511   1HG   PRO  66          2HG       PRO  66  -1.701 -19.948  -5.119
  512   2HG   PRO  66          1HG       PRO  66  -2.339 -21.254  -4.105
  513   1HD   PRO  66          2HD       PRO  66  -2.210 -18.675  -3.270
  514   2HD   PRO  66          1HD       PRO  66  -2.057 -20.053  -2.161
  515    H    ASN  67           H        ASN  67  -0.317 -19.394  -5.826
  516    HA   ASN  67           HA       ASN  67   2.118 -18.635  -7.135
  517   1HB   ASN  67          2HB       ASN  67  -0.264 -17.706  -8.488
  518   2HB   ASN  67          1HB       ASN  67   0.907 -18.920  -8.997
  519   1HD2  ASN  67          2HD2      ASN  67  -2.241 -18.367  -8.049
  520   2HD2  ASN  67          1HD2      ASN  67  -2.722 -20.000  -7.758
  521    H    CYS  68           H        CYS  68   0.365 -17.100  -4.850
  522    HA   CYS  68           HA       CYS  68   0.029 -14.492  -5.829
  523   1HB   CYS  68          2HB       CYS  68  -0.400 -15.807  -3.406
  524   2HB   CYS  68          1HB       CYS  68   0.764 -14.543  -3.020
  525    H    GLY  69           H        GLY  69   2.846 -16.216  -5.428
  526   1HA   GLY  69          1HA       GLY  69   4.445 -13.813  -5.765
  527   2HA   GLY  69          2HA       GLY  69   5.003 -15.472  -5.932
  528    H    PHE  70           H        PHE  70   4.580 -16.663  -3.624
  529    HA   PHE  70           HA       PHE  70   5.065 -16.777  -1.380
  530   1HB   PHE  70          2HB       PHE  70   7.253 -16.953  -2.621
  531   2HB   PHE  70          1HB       PHE  70   7.512 -15.249  -2.272
  532    HD1  PHE  70           HD1      PHE  70   6.153 -17.972  -0.133
  533    HD2  PHE  70           HD2      PHE  70   9.271 -15.152  -0.783
  534    HE1  PHE  70           HE1      PHE  70   7.147 -18.578   2.036
  535    HE2  PHE  70           HE2      PHE  70  10.273 -15.753   1.383
  536    HZ   PHE  70           HZ       PHE  70   9.210 -17.469   2.795
  537    H    GLY  71           H        GLY  71   3.319 -15.280  -0.816
  538   1HA   GLY  71          1HA       GLY  71   2.468 -13.407   0.220
  539   2HA   GLY  71          2HA       GLY  71   3.838 -12.504  -0.418
  540    H    LYS  72           H        LYS  72   5.306 -14.949   1.057
  541    HA   LYS  72           HA       LYS  72   6.173 -15.373   3.136
  542   1HB   LYS  72          2HB       LYS  72   6.946 -12.871   2.121
  543   2HB   LYS  72          1HB       LYS  72   6.689 -12.637   3.846
  544   1HG   LYS  72          2HG       LYS  72   8.414 -14.009   4.432
  545   2HG   LYS  72          1HG       LYS  72   8.258 -15.002   2.979
  546   1HD   LYS  72          2HD       LYS  72  10.146 -13.895   2.391
  547   2HD   LYS  72          1HD       LYS  72   8.982 -12.686   1.846
  548   1HE   LYS  72          2HE       LYS  72  10.251 -11.308   3.106
  549   2HE   LYS  72          1HE       LYS  72   9.247 -11.937   4.411
  550   1HZ   LYS  72          1HZ       LYS  72  11.167 -13.767   4.356
  551   2HZ   LYS  72          3HZ       LYS  72  12.052 -12.422   3.831
  552   3HZ   LYS  72          2HZ       LYS  72  11.244 -12.377   5.317
  553    H    THR  73           H        THR  73   6.330 -13.846   5.430
  554    HA   THR  73           HA       THR  73   3.526 -13.868   6.327
  555    HB   THR  73           HB       THR  73   4.942 -13.912   8.644
  556    HG1  THR  73           HG1      THR  73   6.428 -15.452   6.757
  557   1HG2  THR  73          1HG2      THR  73   3.379 -15.722   7.089
  558   2HG2  THR  73          3HG2      THR  73   4.717 -16.613   7.813
  559   3HG2  THR  73          2HG2      THR  73   3.615 -15.691   8.836
  560    H    GLY  74           H        GLY  74   2.630 -12.031   7.017
  561   1HA   GLY  74          2HA       GLY  74   4.152  -9.962   8.306
  562   2HA   GLY  74          1HA       GLY  74   2.440  -9.903   7.903
  563    H    ILE  75           H        ILE  75   3.877  -7.640   7.564
  564    HA   ILE  75           HA       ILE  75   3.637  -7.228   4.722
  565    HB   ILE  75           HB       ILE  75   4.470  -5.300   6.892
  566   1HG1  ILE  75          1HG1      ILE  75   1.827  -5.835   5.529
  567   2HG1  ILE  75          2HG1      ILE  75   2.200  -6.012   7.239
  568   1HG2  ILE  75          1HG2      ILE  75   4.579  -5.103   4.035
  569   2HG2  ILE  75          3HG2      ILE  75   3.412  -3.943   4.673
  570   3HG2  ILE  75          2HG2      ILE  75   5.077  -3.930   5.256
  571   1HD1  ILE  75          1HD1      ILE  75   2.671  -3.493   7.184
  572   2HD1  ILE  75          3HD1      ILE  75   1.799  -3.515   5.651
  573   3HD1  ILE  75          2HD1      ILE  75   0.994  -4.038   7.131
  574    H    ILE  76           H        ILE  76   5.213  -7.430   3.302
  575    HA   ILE  76           HA       ILE  76   7.976  -7.599   4.243
  576    HB   ILE  76           HB       ILE  76   7.002  -8.153   1.446
  577   1HG1  ILE  76          2HG1      ILE  76   5.731  -9.693   2.669
  578   2HG1  ILE  76          1HG1      ILE  76   7.180 -10.606   2.263
  579   1HG2  ILE  76          2HG2      ILE  76   9.547  -8.005   2.580
  580   2HG2  ILE  76          1HG2      ILE  76   9.216  -9.728   2.393
  581   3HG2  ILE  76          3HG2      ILE  76   9.117  -8.655   0.997
  582   1HD1  ILE  76          1HD1      ILE  76   8.064  -9.964   4.535
  583   2HD1  ILE  76          3HD1      ILE  76   6.437  -9.387   4.897
  584   3HD1  ILE  76          2HD1      ILE  76   6.705 -11.087   4.509
  585    H    ASP  77           H        ASP  77   8.156  -5.304   4.611
  586    HA   ASP  77           HA       ASP  77   8.369  -3.718   2.139
  587   1HB   ASP  77          2HB       ASP  77   6.827  -2.609   3.516
  588   2HB   ASP  77          1HB       ASP  77   7.740  -2.961   4.980
  589    H    TYR  78           H        TYR  78  10.293  -2.956   1.523
  590    HA   TYR  78           HA       TYR  78  12.592  -3.500   3.259
  591   1HB   TYR  78          2HB       TYR  78  12.512  -2.855   0.303
  592   2HB   TYR  78          1HB       TYR  78  13.946  -3.298   1.223
  593    HD1  TYR  78           HD1      TYR  78  10.504  -4.656   0.646
  594    HD2  TYR  78           HD2      TYR  78  14.667  -5.468   0.976
  595    HE1  TYR  78           HE1      TYR  78  10.071  -7.029   0.169
  596    HE2  TYR  78           HE2      TYR  78  14.247  -7.843   0.499
  597    HH   TYR  78           HH       TYR  78  10.964  -9.036  -0.153
  598    H    GLY  79           H        GLY  79  10.747  -1.165   3.499
  599   1HA   GLY  79          2HA       GLY  79  12.705   0.811   4.040
  600   2HA   GLY  79          1HA       GLY  79  10.959   1.052   4.071
  601    H    ILE  80           H        ILE  80  12.078   3.175   3.206
  602    HA   ILE  80           HA       ILE  80  11.258   3.467   0.523
  603    HB   ILE  80           HB       ILE  80  13.077   5.355   2.012
  604   1HG1  ILE  80          1HG1      ILE  80  10.176   5.873   2.038
  605   2HG1  ILE  80          2HG1      ILE  80  10.679   4.479   2.987
  606   1HG2  ILE  80          1HG2      ILE  80  11.732   5.410  -0.534
  607   2HG2  ILE  80          3HG2      ILE  80  11.194   6.741   0.491
  608   3HG2  ILE  80          2HG2      ILE  80  12.910   6.537   0.139
  609   1HD1  ILE  80          1HD1      ILE  80  12.072   7.100   3.303
  610   2HD1  ILE  80          3HD1      ILE  80  10.538   6.787   4.114
  611   3HD1  ILE  80          2HD1      ILE  80  11.934   5.760   4.442
  612    H    ARG  81           H        ARG  81  12.299   3.121  -1.327
  613    HA   ARG  81           HA       ARG  81  15.196   2.621  -1.221
  614   1HB   ARG  81          2HB       ARG  81  13.092   1.699  -3.183
  615   2HB   ARG  81          1HB       ARG  81  14.817   1.445  -3.411
  616   1HG   ARG  81          2HG       ARG  81  13.441   0.492  -0.930
  617   2HG   ARG  81          1HG       ARG  81  13.406  -0.457  -2.418
  618   1HD   ARG  81          2HD       ARG  81  16.067   0.517  -1.704
  619   2HD   ARG  81          1HD       ARG  81  15.364  -0.568  -0.506
  620    HE   ARG  81           HE       ARG  81  15.914  -1.233  -3.315
  621   1HH1  ARG  81          1HH1      ARG  81  15.119  -2.193  -0.063
  622   2HH1  ARG  81          2HH1      ARG  81  15.357  -3.881  -0.363
  623   1HH2  ARG  81          1HH2      ARG  81  16.231  -3.455  -3.722
  624   2HH2  ARG  81          2HH2      ARG  81  15.991  -4.599  -2.444
  625    H    LEU  82           H        LEU  82  13.640   5.223  -1.522
  626    HA   LEU  82           HA       LEU  82  13.805   7.181  -2.667
  627   1HB   LEU  82          2HB       LEU  82  16.331   6.211  -2.372
  628   2HB   LEU  82          1HB       LEU  82  16.253   6.418  -4.109
  629    HG   LEU  82           HG       LEU  82  17.206   8.400  -3.202
  630   1HD1  LEU  82          2HD1      LEU  82  14.310   8.825  -3.909
  631   2HD1  LEU  82          1HD1      LEU  82  15.502  10.119  -3.784
  632   3HD1  LEU  82          3HD1      LEU  82  15.696   8.857  -5.000
  633   1HD2  LEU  82          1HD2      LEU  82  16.358   8.020  -0.885
  634   2HD2  LEU  82          3HD2      LEU  82  16.254   9.692  -1.437
  635   3HD2  LEU  82          2HD2      LEU  82  14.808   8.682  -1.404
  636    H    ASN  83           H        ASN  83  12.391   4.984  -3.912
  637    HA   ASN  83           HA       ASN  83  12.683   5.783  -6.733
  638   1HB   ASN  83          2HB       ASN  83  12.607   3.110  -5.524
  639   2HB   ASN  83          1HB       ASN  83  11.476   3.317  -6.858
  640   1HD2  ASN  83          1HD2      ASN  83  12.509   4.532  -8.775
  641   2HD2  ASN  83          2HD2      ASN  83  14.063   3.954  -9.258
  642    H    ARG  84           H        ARG  84  11.087   7.345  -5.364
  643    HA   ARG  84           HA       ARG  84   8.436   6.474  -4.971
  644   1HB   ARG  84          2HB       ARG  84   9.597   9.219  -5.449
  645   2HB   ARG  84          1HB       ARG  84   7.915   8.933  -5.036
  646   1HG   ARG  84          2HG       ARG  84   8.619   7.885  -2.933
  647   2HG   ARG  84          1HG       ARG  84  10.300   8.227  -3.345
  648   1HD   ARG  84          2HD       ARG  84   8.847  10.639  -3.624
  649   2HD   ARG  84          1HD       ARG  84   8.389   9.920  -2.080
  650    HE   ARG  84           HE       ARG  84  10.488  10.369  -1.286
  651   1HH1  ARG  84          1HH1      ARG  84  10.495  10.658  -4.758
  652   2HH1  ARG  84          2HH1      ARG  84  12.094  11.319  -4.829
  653   1HH2  ARG  84          2HH2      ARG  84  12.596  11.239  -1.370
  654   2HH2  ARG  84          1HH2      ARG  84  13.288  11.650  -2.905
  655    H    SER  85           H        SER  85  10.122   6.634  -7.776
  656    HA   SER  85           HA       SER  85   7.834   7.465  -9.409
  657   1HB   SER  85          2HB       SER  85  10.718   7.617  -9.721
  658   2HB   SER  85          1HB       SER  85   9.957   6.867 -11.123
  659    HG   SER  85           HG       SER  85   9.229   9.359  -9.972
  660    H    GLU  86           H        GLU  86   8.555   4.785  -7.940
  661    HA   GLU  86           HA       GLU  86   8.702   2.852 -10.037
  662   1HB   GLU  86          2HB       GLU  86   8.329   2.789  -7.083
  663   2HB   GLU  86          1HB       GLU  86   7.837   1.370  -7.999
  664   1HG   GLU  86          2HG       GLU  86  10.514   2.478  -8.582
  665   2HG   GLU  86          1HG       GLU  86  10.292   1.692  -7.020
  666    H    ARG  87           H        ARG  87   6.845   0.956  -9.547
  667    HA   ARG  87           HA       ARG  87   4.237   2.273  -9.780
  668   1HB   ARG  87          2HB       ARG  87   4.910   0.025 -11.638
  669   2HB   ARG  87          1HB       ARG  87   3.665   1.255 -11.785
  670   1HG   ARG  87          2HG       ARG  87   5.754   2.859 -11.934
  671   2HG   ARG  87          1HG       ARG  87   6.550   1.379 -12.471
  672   1HD   ARG  87          2HD       ARG  87   4.373   1.233 -13.994
  673   2HD   ARG  87          1HD       ARG  87   4.429   2.983 -13.781
  674    HE   ARG  87           HE       ARG  87   6.983   2.167 -14.495
  675   1HH1  ARG  87          1HH1      ARG  87   3.788   2.192 -15.878
  676   2HH1  ARG  87          2HH1      ARG  87   4.354   2.316 -17.510
  677   1HH2  ARG  87          1HH2      ARG  87   7.741   2.330 -16.636
  678   2HH2  ARG  87          2HH2      ARG  87   6.605   2.394 -17.942
  679    H    TRP  88           H        TRP  88   2.966   1.449  -8.310
  680    HA   TRP  88           HA       TRP  88   2.714  -1.427  -7.990
  681   1HB   TRP  88          2HB       TRP  88   3.112   0.227  -5.506
  682   2HB   TRP  88          1HB       TRP  88   3.165  -1.522  -5.679
  683    HD1  TRP  88           HD1      TRP  88   5.357   1.491  -5.629
  684    HE1  TRP  88           HE1      TRP  88   7.795   0.812  -6.106
  685    HE3  TRP  88           HE3      TRP  88   4.569  -3.310  -7.196
  686    HZ2  TRP  88           HZ2      TRP  88   9.197  -1.461  -7.024
  687    HZ3  TRP  88           HZ3      TRP  88   6.510  -4.671  -7.854
  688    HH2  TRP  88           HH2      TRP  88   8.776  -3.764  -7.771
  689    H    ASP  89           H        ASP  89   1.397  -0.652  -5.305
  690    HA   ASP  89           HA       ASP  89  -1.122   0.307  -6.486
  691   1HB   ASP  89          2HB       ASP  89  -0.940  -1.262  -3.923
  692   2HB   ASP  89          1HB       ASP  89  -2.339  -1.022  -4.964
  693    H    ALA  90           H        ALA  90  -2.529   0.942  -4.258
  694    HA   ALA  90           HA       ALA  90  -0.890   2.781  -2.691
  695   1HB   ALA  90          3HB       ALA  90  -1.609   4.065  -4.647
  696   2HB   ALA  90          1HB       ALA  90  -2.328   4.682  -3.159
  697   3HB   ALA  90          2HB       ALA  90  -3.292   3.702  -4.264
  698    H    TYR  91           H        TYR  91  -1.466   2.731  -0.621
  699    HA   TYR  91           HA       TYR  91  -4.019   1.503   0.103
  700   1HB   TYR  91          2HB       TYR  91  -1.431   1.976   1.560
  701   2HB   TYR  91          1HB       TYR  91  -2.906   1.625   2.446
  702    HD1  TYR  91           HD1      TYR  91  -4.239  -0.512   1.352
  703    HD2  TYR  91           HD2      TYR  91  -0.042   0.193   1.209
  704    HE1  TYR  91           HE1      TYR  91  -3.848  -2.913   1.026
  705    HE2  TYR  91           HE2      TYR  91   0.353  -2.211   0.886
  706    HH   TYR  91           HH       TYR  91  -2.350  -4.498   0.637
  707    H    CYS  92           H        CYS  92  -5.663   2.710   0.848
  708    HA   CYS  92           HA       CYS  92  -5.129   5.535   1.422
  709   1HB   CYS  92          2HB       CYS  92  -7.257   4.128   0.088
  710   2HB   CYS  92          1HB       CYS  92  -7.909   5.075   1.421
  711    H    TYR  93           H        TYR  93  -6.405   6.554   3.158
  712    HA   TYR  93           HA       TYR  93  -7.328   4.857   5.304
  713   1HB   TYR  93          2HB       TYR  93  -4.828   4.950   5.562
  714   2HB   TYR  93          1HB       TYR  93  -4.968   6.691   5.781
  715    HD1  TYR  93           HD1      TYR  93  -6.421   7.528   7.712
  716    HD2  TYR  93           HD2      TYR  93  -5.059   3.511   7.397
  717    HE1  TYR  93           HE1      TYR  93  -6.812   7.217  10.117
  718    HE2  TYR  93           HE2      TYR  93  -5.449   3.184   9.804
  719    HH   TYR  93           HH       TYR  93  -5.611   4.574  11.849
  720    H    ASN  94           H        ASN  94  -9.103   5.843   6.020
  721    HA   ASN  94           HA       ASN  94  -9.067   8.744   6.414
  722   1HB   ASN  94          2HB       ASN  94 -11.089   7.199   4.799
  723   2HB   ASN  94          1HB       ASN  94 -11.483   8.751   5.532
  724   1HD2  ASN  94          2HD2      ASN  94 -11.639  10.059   3.833
  725   2HD2  ASN  94          1HD2      ASN  94 -10.390  10.328   2.668
  726    HA   PRO  95           HA       PRO  95 -10.817   7.850  10.355
  727   1HB   PRO  95          2HB       PRO  95 -12.605   9.977  10.517
  728   2HB   PRO  95          1HB       PRO  95 -10.897  10.042  10.965
  729   1HG   PRO  95          2HG       PRO  95 -12.236  10.917   8.446
  730   2HG   PRO  95          1HG       PRO  95 -10.885  11.664   9.318
  731   1HD   PRO  95          2HD       PRO  95 -10.496  10.238   7.080
  732   2HD   PRO  95          1HD       PRO  95  -9.333  10.196   8.421
  733    H    HIS  96           H        HIS  96 -13.240   9.068   8.042
  734    HA   HIS  96           HA       HIS  96 -15.174   7.134   9.086
  735   1HB   HIS  96          2HB       HIS  96 -15.706   9.272   7.023
  736   2HB   HIS  96          1HB       HIS  96 -16.872   8.430   8.040
  737    HD1  HIS  96           HD1      HIS  96 -15.602   8.836  10.792
  738    HD2  HIS  96           HD2      HIS  96 -15.914  11.828   7.925
  739    HE1  HIS  96           HE1      HIS  96 -15.506  11.003  12.067
  740    HE2  HIS  96           HE2      HIS  96 -15.605  12.799  10.302
  741    H    ALA  97           H        ALA  97 -13.231   7.868   6.314
  742    HA   ALA  97           HA       ALA  97 -13.353   7.019   4.125
  743   1HB   ALA  97          2HB       ALA  97 -11.569   5.774   4.699
  744   2HB   ALA  97          3HB       ALA  97 -12.706   4.430   4.573
  745   3HB   ALA  97          1HB       ALA  97 -12.350   5.139   6.149
  746    H    LYS  98           H        LYS  98 -15.748   7.323   3.948
  747    HA   LYS  98           HA       LYS  98 -17.446   5.045   4.328
  748   1HB   LYS  98          2HB       LYS  98 -18.321   7.332   4.481
  749   2HB   LYS  98          1HB       LYS  98 -17.916   7.608   2.792
  750   1HG   LYS  98          2HG       LYS  98 -19.717   6.489   2.038
  751   2HG   LYS  98          1HG       LYS  98 -19.639   5.282   3.320
  752   1HD   LYS  98          2HD       LYS  98 -20.506   7.018   4.898
  753   2HD   LYS  98          1HD       LYS  98 -20.750   8.077   3.508
  754   1HE   LYS  98          2HE       LYS  98 -22.109   6.116   2.532
  755   2HE   LYS  98          1HE       LYS  98 -22.137   5.509   4.188
  756   1HZ   LYS  98          3HZ       LYS  98 -23.117   7.641   4.871
  757   2HZ   LYS  98          2HZ       LYS  98 -23.172   8.131   3.254
  758   3HZ   LYS  98          1HZ       LYS  98 -24.094   6.810   3.768

  No H/Q in entry =         758
  Start of MODEL   18
    1    H1   GLY   1          2H        GLY   1  -9.197   2.720   8.982
    2    H2   GLY   1          1H        GLY   1  -9.993   4.115   9.514
    3    H3   GLY   1          3H        GLY   1 -10.683   2.592   9.779
    4   1HA   GLY   1          1HA       GLY   1 -11.386   4.186   7.773
    5   2HA   GLY   1          2HA       GLY   1 -11.533   2.436   7.726
    6    H    VAL   2           H        VAL   2  -8.931   1.663   7.437
    7    HA   VAL   2           HA       VAL   2  -7.965   3.017   5.022
    8    HB   VAL   2           HB       VAL   2  -6.232   2.808   6.615
    9   1HG1  VAL   2          3HG1      VAL   2  -7.615   0.474   7.406
   10   2HG1  VAL   2          2HG1      VAL   2  -5.959   0.008   7.011
   11   3HG1  VAL   2          1HG1      VAL   2  -6.260   1.272   8.205
   12   1HG2  VAL   2          3HG2      VAL   2  -6.094   0.846   4.372
   13   2HG2  VAL   2          2HG2      VAL   2  -5.240   2.374   4.582
   14   3HG2  VAL   2          1HG2      VAL   2  -4.759   0.959   5.519
   15    H    TYR   3           H        TYR   3  -7.383   1.813   3.163
   16    HA   TYR   3           HA       TYR   3  -8.030  -0.974   2.954
   17   1HB   TYR   3          2HB       TYR   3  -9.725  -0.588   1.108
   18   2HB   TYR   3          1HB       TYR   3 -10.277  -0.226   2.740
   19    HD1  TYR   3           HD1      TYR   3 -10.672   2.078   3.438
   20    HD2  TYR   3           HD2      TYR   3  -9.416   1.172  -0.525
   21    HE1  TYR   3           HE1      TYR   3 -11.318   4.340   2.722
   22    HE2  TYR   3           HE2      TYR   3 -10.058   3.432  -1.251
   23    HH   TYR   3           HH       TYR   3 -11.932   5.522   0.681
   24    H    HIS   4           H        HIS   4  -8.031  -1.539   0.441
   25    HA   HIS   4           HA       HIS   4  -5.501  -0.498  -0.540
   26   1HB   HIS   4          2HB       HIS   4  -5.535  -2.826  -0.679
   27   2HB   HIS   4          1HB       HIS   4  -7.214  -2.869  -1.208
   28    HD1  HIS   4           HD1      HIS   4  -7.613  -3.059  -3.663
   29    HD2  HIS   4           HD2      HIS   4  -3.711  -1.933  -2.780
   30    HE1  HIS   4           HE1      HIS   4  -6.387  -3.102  -5.858
   31    HE2  HIS   4           HE2      HIS   4  -4.013  -2.482  -5.290
   32    H    ARG   5           H        ARG   5  -5.212   0.178  -2.744
   33    HA   ARG   5           HA       ARG   5  -7.590   0.954  -4.230
   34   1HB   ARG   5          2HB       ARG   5  -6.050   2.813  -2.634
   35   2HB   ARG   5          1HB       ARG   5  -5.996   3.257  -4.333
   36   1HG   ARG   5          2HG       ARG   5  -8.578   2.661  -2.928
   37   2HG   ARG   5          1HG       ARG   5  -7.848   4.267  -2.922
   38   1HD   ARG   5          2HD       ARG   5  -8.183   4.579  -5.177
   39   2HD   ARG   5          1HD       ARG   5  -8.215   2.849  -5.517
   40    HE   ARG   5           HE       ARG   5 -10.425   3.677  -3.911
   41   1HH1  ARG   5          1HH1      ARG   5  -9.216   3.535  -7.174
   42   2HH1  ARG   5          2HH1      ARG   5 -10.790   3.523  -7.894
   43   1HH2  ARG   5          2HH2      ARG   5 -12.503   3.663  -4.851
   44   2HH2  ARG   5          1HH2      ARG   5 -12.659   3.596  -6.575
   45    H    GLU   6           H        GLU   6  -7.172   1.483  -6.423
   46    HA   GLU   6           HA       GLU   6  -4.468   0.760  -7.343
   47   1HB   GLU   6          2HB       GLU   6  -5.898  -1.068  -7.892
   48   2HB   GLU   6          1HB       GLU   6  -7.146   0.004  -8.509
   49   1HG   GLU   6          2HG       GLU   6  -5.672   0.638 -10.356
   50   2HG   GLU   6          1HG       GLU   6  -4.438  -0.460  -9.737
   51    H    ALA   7           H        ALA   7  -4.182   1.464  -9.719
   52    HA   ALA   7           HA       ALA   7  -4.595   4.316  -9.789
   53   1HB   ALA   7          3HB       ALA   7  -2.679   4.230 -10.904
   54   2HB   ALA   7          2HB       ALA   7  -2.763   2.469 -10.945
   55   3HB   ALA   7          1HB       ALA   7  -3.499   3.416 -12.237
   56    H    ARG   8           H        ARG   8  -5.476   5.442 -11.659
   57    HA   ARG   8           HA       ARG   8  -8.054   4.566 -12.330
   58   1HB   ARG   8          2HB       ARG   8  -6.265   6.739 -13.371
   59   2HB   ARG   8          1HB       ARG   8  -7.810   6.413 -14.147
   60   1HG   ARG   8          2HG       ARG   8  -7.736   6.813 -11.198
   61   2HG   ARG   8          1HG       ARG   8  -7.598   8.213 -12.261
   62   1HD   ARG   8          2HD       ARG   8  -9.790   6.191 -12.592
   63   2HD   ARG   8          1HD       ARG   8  -9.937   7.539 -11.465
   64    HE   ARG   8           HE       ARG   8  -9.232   8.742 -13.786
   65   1HH1  ARG   8          1HH1      ARG   8 -11.735   6.478 -12.923
   66   2HH1  ARG   8          2HH1      ARG   8 -12.847   7.054 -14.120
   67   1HH2  ARG   8          1HH2      ARG   8 -10.689   9.507 -15.363
   68   2HH2  ARG   8          2HH2      ARG   8 -12.252   8.775 -15.508
   69    H    SER   9           H        SER   9  -4.974   4.039 -13.832
   70    HA   SER   9           HA       SER   9  -6.183   3.022 -16.278
   71   1HB   SER   9          2HB       SER   9  -3.972   4.415 -16.078
   72   2HB   SER   9          1HB       SER   9  -3.249   2.856 -15.683
   73    HG   SER   9           HG       SER   9  -4.183   2.079 -17.677
   74    H    GLY  10           H        GLY  10  -4.072   1.839 -13.677
   75   1HA   GLY  10          2HA       GLY  10  -4.002  -0.830 -14.518
   76   2HA   GLY  10          1HA       GLY  10  -5.353  -0.635 -13.414
   77    H    LYS  11           H        LYS  11  -3.894  -2.305 -12.312
   78    HA   LYS  11           HA       LYS  11  -2.696  -1.085 -10.061
   79   1HB   LYS  11          2HB       LYS  11  -3.784  -3.336 -10.071
   80   2HB   LYS  11          1HB       LYS  11  -2.405  -3.953 -10.973
   81   1HG   LYS  11          2HG       LYS  11  -0.925  -3.410  -9.123
   82   2HG   LYS  11          1HG       LYS  11  -2.284  -2.734  -8.220
   83   1HD   LYS  11          2HD       LYS  11  -2.333  -4.806  -7.314
   84   2HD   LYS  11          1HD       LYS  11  -3.274  -5.169  -8.762
   85   1HE   LYS  11          2HE       LYS  11  -0.910  -5.632  -9.799
   86   2HE   LYS  11          1HE       LYS  11  -0.445  -5.850  -8.112
   87   1HZ   LYS  11          2HZ       LYS  11  -2.674  -7.297  -9.435
   88   2HZ   LYS  11          1HZ       LYS  11  -1.120  -7.927  -9.218
   89   3HZ   LYS  11          3HZ       LYS  11  -2.082  -7.562  -7.874
   90    H    TYR  12           H        TYR  12  -0.467  -1.489  -9.311
   91    HA   TYR  12           HA       TYR  12   1.771  -1.156  -9.545
   92   1HB   TYR  12          2HB       TYR  12   1.196  -3.048 -11.816
   93   2HB   TYR  12          1HB       TYR  12   2.828  -2.471 -11.491
   94    HD1  TYR  12           HD1      TYR  12   1.216  -2.618  -8.411
   95    HD2  TYR  12           HD2      TYR  12   2.905  -5.155 -11.382
   96    HE1  TYR  12           HE1      TYR  12   1.505  -4.391  -6.727
   97    HE2  TYR  12           HE2      TYR  12   3.198  -6.931  -9.707
   98    HH   TYR  12           HH       TYR  12   3.470  -6.915  -7.034
   99    H    LYS  13           H        LYS  13   0.526   1.034 -10.286
  100    HA   LYS  13           HA       LYS  13   2.216   2.093 -12.378
  101   1HB   LYS  13          2HB       LYS  13  -0.748   1.802 -12.689
  102   2HB   LYS  13          1HB       LYS  13   0.065   3.187 -13.406
  103   1HG   LYS  13          2HG       LYS  13   1.647   1.157 -14.261
  104   2HG   LYS  13          1HG       LYS  13   0.069   0.369 -14.212
  105   1HD   LYS  13          2HD       LYS  13  -0.001   3.040 -15.390
  106   2HD   LYS  13          1HD       LYS  13   1.023   1.907 -16.275
  107   1HE   LYS  13          2HE       LYS  13  -1.006   0.298 -16.025
  108   2HE   LYS  13          1HE       LYS  13  -1.914   1.781 -15.727
  109   1HZ   LYS  13          3HZ       LYS  13  -0.732   2.553 -17.890
  110   2HZ   LYS  13          2HZ       LYS  13  -0.563   0.895 -18.180
  111   3HZ   LYS  13          1HZ       LYS  13  -2.103   1.566 -17.985
  112    H    LEU  14           H        LEU  14   0.918   2.332  -9.442
  113    HA   LEU  14           HA       LEU  14   0.609   5.253  -9.471
  114   1HB   LEU  14          2HB       LEU  14  -0.329   3.067  -7.678
  115   2HB   LEU  14          1HB       LEU  14  -0.057   4.649  -6.978
  116    HG   LEU  14           HG       LEU  14  -1.785   4.354  -9.410
  117   1HD1  LEU  14          1HD1      LEU  14  -2.396   2.817  -7.361
  118   2HD1  LEU  14          3HD1      LEU  14  -3.018   4.332  -6.704
  119   3HD1  LEU  14          2HD1      LEU  14  -3.636   3.713  -8.237
  120   1HD2  LEU  14          2HD2      LEU  14  -0.903   6.510  -7.904
  121   2HD2  LEU  14          1HD2      LEU  14  -2.219   6.509  -9.079
  122   3HD2  LEU  14          3HD2      LEU  14  -2.563   6.248  -7.369
  123    H    THR  15           H        THR  15   2.048   6.562  -8.549
  124    HA   THR  15           HA       THR  15   4.374   5.331  -7.241
  125    HB   THR  15           HB       THR  15   5.627   7.299  -7.798
  126    HG1  THR  15           HG1      THR  15   3.903   8.711  -9.268
  127   1HG2  THR  15          2HG2      THR  15   4.421   5.651  -9.738
  128   2HG2  THR  15          1HG2      THR  15   4.399   7.290 -10.390
  129   3HG2  THR  15          3HG2      THR  15   5.923   6.565  -9.880
  130    H    TYR  16           H        TYR  16   5.175   6.173  -5.283
  131    HA   TYR  16           HA       TYR  16   3.535   6.646  -3.226
  132   1HB   TYR  16          2HB       TYR  16   5.902   6.437  -2.855
  133   2HB   TYR  16          1HB       TYR  16   6.217   7.953  -3.693
  134    HD1  TYR  16           HD1      TYR  16   4.574   6.526  -0.681
  135    HD2  TYR  16           HD2      TYR  16   6.243   9.981  -2.525
  136    HE1  TYR  16           HE1      TYR  16   4.412   7.738   1.453
  137    HE2  TYR  16           HE2      TYR  16   6.086  11.201  -0.394
  138    HH   TYR  16           HH       TYR  16   5.737  10.983   1.832
  139    H    ALA  17           H        ALA  17   4.589   9.085  -5.534
  140    HA   ALA  17           HA       ALA  17   3.380  11.286  -4.184
  141   1HB   ALA  17          2HB       ALA  17   4.233  11.046  -7.066
  142   2HB   ALA  17          1HB       ALA  17   3.864  12.543  -6.210
  143   3HB   ALA  17          3HB       ALA  17   5.255  11.571  -5.727
  144    H    GLU  18           H        GLU  18   2.396   9.260  -6.948
  145    HA   GLU  18           HA       GLU  18  -0.058  10.654  -7.360
  146   1HB   GLU  18          2HB       GLU  18   0.822   7.904  -8.259
  147   2HB   GLU  18          1HB       GLU  18  -0.592   8.760  -8.848
  148   1HG   GLU  18          2HG       GLU  18   0.790  10.480  -9.813
  149   2HG   GLU  18          1HG       GLU  18   2.236   9.742  -9.126
  150    H    ALA  19           H        ALA  19   0.829   7.575  -5.866
  151    HA   ALA  19           HA       ALA  19  -1.643   6.609  -5.150
  152   1HB   ALA  19          2HB       ALA  19  -0.195   5.037  -4.504
  153   2HB   ALA  19          3HB       ALA  19  -0.053   5.942  -2.998
  154   3HB   ALA  19          1HB       ALA  19   1.107   6.210  -4.298
  155    H    LYS  20           H        LYS  20   0.408   8.890  -3.372
  156    HA   LYS  20           HA       LYS  20  -1.349   9.174  -1.157
  157   1HB   LYS  20          2HB       LYS  20   1.176   9.734  -1.381
  158   2HB   LYS  20          1HB       LYS  20   0.617  11.269  -2.022
  159   1HG   LYS  20          2HG       LYS  20  -0.229  11.962  -0.010
  160   2HG   LYS  20          1HG       LYS  20  -0.490  10.316   0.569
  161   1HD   LYS  20          2HD       LYS  20   1.381  10.578   1.757
  162   2HD   LYS  20          1HD       LYS  20   2.248  10.459   0.225
  163   1HE   LYS  20          2HE       LYS  20   3.026  12.506   0.607
  164   2HE   LYS  20          1HE       LYS  20   1.387  13.099   0.342
  165   1HZ   LYS  20          2HZ       LYS  20   2.489  12.260   2.968
  166   2HZ   LYS  20          1HZ       LYS  20   2.322  13.861   2.451
  167   3HZ   LYS  20          3HZ       LYS  20   0.949  12.902   2.693
  168    H    ALA  21           H        ALA  21  -0.726  11.145  -4.033
  169    HA   ALA  21           HA       ALA  21  -2.312  13.317  -3.566
  170   1HB   ALA  21          1HB       ALA  21  -2.705  13.359  -6.065
  171   2HB   ALA  21          3HB       ALA  21  -1.022  13.286  -5.541
  172   3HB   ALA  21          2HB       ALA  21  -1.825  11.832  -6.133
  173    H    VAL  22           H        VAL  22  -3.384  10.212  -4.908
  174    HA   VAL  22           HA       VAL  22  -6.103  10.964  -5.180
  175    HB   VAL  22           HB       VAL  22  -4.669   8.335  -5.190
  176   1HG1  VAL  22          2HG1      VAL  22  -7.658   8.724  -5.201
  177   2HG1  VAL  22          1HG1      VAL  22  -6.845   7.237  -5.688
  178   3HG1  VAL  22          3HG1      VAL  22  -6.703   7.817  -4.029
  179   1HG2  VAL  22          2HG2      VAL  22  -6.230   9.944  -7.192
  180   2HG2  VAL  22          1HG2      VAL  22  -4.523   9.504  -7.235
  181   3HG2  VAL  22          3HG2      VAL  22  -5.759   8.269  -7.476
  182    H    CYS  23           H        CYS  23  -4.468   8.925  -2.772
  183    HA   CYS  23           HA       CYS  23  -6.695   8.477  -1.147
  184   1HB   CYS  23          2HB       CYS  23  -3.747   8.534  -0.493
  185   2HB   CYS  23          1HB       CYS  23  -4.986   7.985   0.628
  186    H    GLU  24           H        GLU  24  -4.328  11.079  -1.173
  187    HA   GLU  24           HA       GLU  24  -5.552  12.354   1.138
  188   1HB   GLU  24          2HB       GLU  24  -3.084  12.325   0.867
  189   2HB   GLU  24          1HB       GLU  24  -3.256  13.290  -0.593
  190   1HG   GLU  24          2HG       GLU  24  -3.903  15.183   0.580
  191   2HG   GLU  24          1HG       GLU  24  -4.359  14.259   2.010
  192    H    PHE  25           H        PHE  25  -6.220  12.180  -2.060
  193    HA   PHE  25           HA       PHE  25  -6.671  14.806  -2.886
  194   1HB   PHE  25          2HB       PHE  25  -6.930  12.372  -4.045
  195   2HB   PHE  25          1HB       PHE  25  -8.623  12.782  -3.788
  196    HD1  PHE  25           HD1      PHE  25  -5.478  14.075  -5.267
  197    HD2  PHE  25           HD2      PHE  25  -9.732  14.192  -5.256
  198    HE1  PHE  25           HE1      PHE  25  -5.436  15.473  -7.289
  199    HE2  PHE  25           HE2      PHE  25  -9.700  15.594  -7.282
  200    HZ   PHE  25           HZ       PHE  25  -7.550  16.236  -8.299
  201    H    GLU  26           H        GLU  26  -8.881  12.522  -1.307
  202    HA   GLU  26           HA       GLU  26 -10.846  14.656  -0.988
  203   1HB   GLU  26          2HB       GLU  26 -11.110  11.739  -0.267
  204   2HB   GLU  26          1HB       GLU  26 -12.406  12.921  -0.380
  205   1HG   GLU  26          2HG       GLU  26 -12.005  13.144  -2.772
  206   2HG   GLU  26          1HG       GLU  26 -10.692  11.974  -2.664
  207    H    GLY  27           H        GLY  27  -8.994  15.496   0.508
  208   1HA   GLY  27          1HA       GLY  27  -9.971  15.674   3.079
  209   2HA   GLY  27          2HA       GLY  27  -8.311  16.039   2.633
  210    H    GLY  28           H        GLY  28  -8.052  13.155   1.710
  211   1HA   GLY  28          2HA       GLY  28  -8.093  11.017   2.900
  212   2HA   GLY  28          1HA       GLY  28  -7.834  11.917   4.388
  213    H    HIS  29           H        HIS  29  -6.240   9.773   3.512
  214    HA   HIS  29           HA       HIS  29  -3.835  10.868   2.362
  215   1HB   HIS  29          2HB       HIS  29  -2.424  10.827   4.181
  216   2HB   HIS  29          1HB       HIS  29  -3.909  11.381   4.930
  217    HD1  HIS  29           HD1      HIS  29  -1.611   8.455   4.761
  218    HD2  HIS  29           HD2      HIS  29  -5.082   9.580   6.756
  219    HE1  HIS  29           HE1      HIS  29  -1.907   6.770   6.601
  220    HE2  HIS  29           HE2      HIS  29  -3.955   7.531   7.853
  221    H    LEU  30           H        LEU  30  -2.009   9.083   2.785
  222    HA   LEU  30           HA       LEU  30  -3.249   6.588   1.875
  223   1HB   LEU  30          2HB       LEU  30  -1.737   6.591   0.280
  224   2HB   LEU  30          1HB       LEU  30  -1.083   8.098   0.885
  225    HG   LEU  30           HG       LEU  30   0.141   6.324   2.536
  226   1HD1  LEU  30          3HD1      LEU  30  -0.875   4.803   0.305
  227   2HD1  LEU  30          2HD1      LEU  30   0.887   4.743   0.377
  228   3HD1  LEU  30          1HD1      LEU  30  -0.071   4.248   1.773
  229   1HD2  LEU  30          1HD2      LEU  30   0.850   7.725   0.041
  230   2HD2  LEU  30          3HD2      LEU  30   1.614   7.776   1.629
  231   3HD2  LEU  30          2HD2      LEU  30   1.944   6.431   0.534
  232    H    ALA  31           H        ALA  31  -3.234   4.883   3.096
  233    HA   ALA  31           HA       ALA  31  -2.539   4.786   5.723
  234   1HB   ALA  31          3HB       ALA  31  -3.141   2.783   3.677
  235   2HB   ALA  31          2HB       ALA  31  -2.206   2.173   5.044
  236   3HB   ALA  31          1HB       ALA  31  -3.762   2.958   5.320
  237    H    THR  32           H        THR  32  -0.862   3.648   6.895
  238    HA   THR  32           HA       THR  32   1.754   3.866   5.553
  239    HB   THR  32           HB       THR  32   2.758   4.347   7.658
  240    HG1  THR  32           HG1      THR  32   1.360   4.377   9.583
  241   1HG2  THR  32          3HG2      THR  32   1.430   6.179   6.527
  242   2HG2  THR  32          2HG2      THR  32   0.161   5.873   7.714
  243   3HG2  THR  32          1HG2      THR  32   1.754   6.415   8.244
  244    H    TYR  33           H        TYR  33   3.251   2.579   7.507
  245    HA   TYR  33           HA       TYR  33   2.837  -0.167   6.786
  246   1HB   TYR  33          2HB       TYR  33   5.101   0.612   6.987
  247   2HB   TYR  33          1HB       TYR  33   4.815   1.192   8.620
  248    HD1  TYR  33           HD1      TYR  33   4.591  -2.009   6.694
  249    HD2  TYR  33           HD2      TYR  33   5.615  -0.092  10.352
  250    HE1  TYR  33           HE1      TYR  33   5.366  -4.157   7.593
  251    HE2  TYR  33           HE2      TYR  33   6.399  -2.237  11.263
  252    HH   TYR  33           HH       TYR  33   6.117  -5.239   9.394
  253    H    LYS  34           H        LYS  34   3.279   1.314   9.970
  254    HA   LYS  34           HA       LYS  34   2.324  -0.703  11.542
  255   1HB   LYS  34          2HB       LYS  34   2.070   2.279  11.929
  256   2HB   LYS  34          1HB       LYS  34   1.671   1.109  13.175
  257   1HG   LYS  34          2HG       LYS  34   4.192   0.340  12.450
  258   2HG   LYS  34          1HG       LYS  34   4.264   2.096  12.291
  259   1HD   LYS  34          2HD       LYS  34   4.697   2.053  14.496
  260   2HD   LYS  34          1HD       LYS  34   2.953   1.833  14.656
  261   1HE   LYS  34          2HE       LYS  34   4.843  -0.485  14.362
  262   2HE   LYS  34          1HE       LYS  34   4.454   0.217  15.933
  263   1HZ   LYS  34          2HZ       LYS  34   2.483  -0.915  14.020
  264   2HZ   LYS  34          1HZ       LYS  34   3.043  -1.679  15.422
  265   3HZ   LYS  34          3HZ       LYS  34   2.125  -0.263  15.539
  266    H    GLN  35           H        GLN  35   0.423   1.883  10.001
  267    HA   GLN  35           HA       GLN  35  -2.063   1.139  11.073
  268   1HB   GLN  35          2HB       GLN  35  -1.446   2.492   8.441
  269   2HB   GLN  35          1HB       GLN  35  -3.012   2.463   9.233
  270   1HG   GLN  35          2HG       GLN  35  -2.328   3.888  10.928
  271   2HG   GLN  35          1HG       GLN  35  -0.621   3.565  10.640
  272   1HE2  GLN  35          2HE2      GLN  35  -0.227   5.795  10.559
  273   2HE2  GLN  35          1HE2      GLN  35  -0.630   6.729   9.163
  274    H    LEU  36           H        LEU  36  -0.524   0.321   7.976
  275    HA   LEU  36           HA       LEU  36  -2.547  -1.273   6.927
  276   1HB   LEU  36          2HB       LEU  36   0.143  -0.673   6.296
  277   2HB   LEU  36          1HB       LEU  36   0.011  -2.420   6.312
  278    HG   LEU  36           HG       LEU  36  -0.341  -1.422   4.069
  279   1HD1  LEU  36          1HD1      LEU  36  -1.844  -3.406   5.361
  280   2HD1  LEU  36          3HD1      LEU  36  -2.988  -2.473   4.396
  281   3HD1  LEU  36          2HD1      LEU  36  -1.580  -3.208   3.629
  282   1HD2  LEU  36          2HD2      LEU  36  -2.517  -0.011   5.541
  283   2HD2  LEU  36          1HD2      LEU  36  -1.390   0.606   4.333
  284   3HD2  LEU  36          3HD2      LEU  36  -2.740  -0.416   3.838
  285    H    GLU  37           H        GLU  37  -0.207  -1.913   9.415
  286    HA   GLU  37           HA       GLU  37  -0.400  -4.730   9.479
  287   1HB   GLU  37          2HB       GLU  37   1.382  -3.407  10.602
  288   2HB   GLU  37          1HB       GLU  37   0.192  -2.844  11.764
  289   1HG   GLU  37          2HG       GLU  37  -0.191  -5.432  12.090
  290   2HG   GLU  37          1HG       GLU  37   1.464  -5.506  11.488
  291    H    ALA  38           H        ALA  38  -1.817  -2.337  11.677
  292    HA   ALA  38           HA       ALA  38  -3.553  -4.086  12.976
  293   1HB   ALA  38          3HB       ALA  38  -2.952  -1.886  13.864
  294   2HB   ALA  38          1HB       ALA  38  -4.702  -2.097  13.791
  295   3HB   ALA  38          2HB       ALA  38  -3.880  -1.116  12.577
  296    H    ALA  39           H        ALA  39  -3.657  -2.942   9.819
  297    HA   ALA  39           HA       ALA  39  -6.564  -3.183   9.579
  298   1HB   ALA  39          3HB       ALA  39  -4.533  -2.468   7.465
  299   2HB   ALA  39          1HB       ALA  39  -5.398  -1.299   8.463
  300   3HB   ALA  39          2HB       ALA  39  -6.287  -2.326   7.337
  301    H    ARG  40           H        ARG  40  -3.599  -4.791   8.827
  302    HA   ARG  40           HA       ARG  40  -4.663  -6.701   6.999
  303   1HB   ARG  40          2HB       ARG  40  -2.331  -6.251   6.893
  304   2HB   ARG  40          1HB       ARG  40  -2.134  -6.512   8.622
  305   1HG   ARG  40          2HG       ARG  40  -3.188  -8.889   7.460
  306   2HG   ARG  40          1HG       ARG  40  -1.792  -8.363   6.517
  307   1HD   ARG  40          2HD       ARG  40  -0.336  -8.627   8.261
  308   2HD   ARG  40          1HD       ARG  40  -1.576  -8.340   9.481
  309    HE   ARG  40           HE       ARG  40  -2.290 -10.707   8.327
  310   1HH1  ARG  40          1HH1      ARG  40   0.579  -9.491   9.883
  311   2HH1  ARG  40          2HH1      ARG  40   1.063 -11.039  10.488
  312   1HH2  ARG  40          1HH2      ARG  40  -1.660 -12.751   9.120
  313   2HH2  ARG  40          2HH2      ARG  40  -0.209 -12.892  10.055
  314    H    LYS  41           H        LYS  41  -4.190  -6.496  10.460
  315    HA   LYS  41           HA       LYS  41  -4.674  -9.229  11.021
  316   1HB   LYS  41          2HB       LYS  41  -5.121  -6.926  12.912
  317   2HB   LYS  41          1HB       LYS  41  -4.745  -8.593  13.321
  318   1HG   LYS  41          2HG       LYS  41  -2.573  -8.113  11.933
  319   2HG   LYS  41          1HG       LYS  41  -2.961  -6.437  12.320
  320   1HD   LYS  41          2HD       LYS  41  -2.683  -6.758  14.595
  321   2HD   LYS  41          1HD       LYS  41  -2.957  -8.498  14.485
  322   1HE   LYS  41          2HE       LYS  41  -0.809  -8.906  13.670
  323   2HE   LYS  41          1HE       LYS  41  -0.570  -7.224  13.196
  324   1HZ   LYS  41          3HZ       LYS  41  -1.024  -7.657  16.023
  325   2HZ   LYS  41          2HZ       LYS  41   0.421  -8.304  15.427
  326   3HZ   LYS  41          1HZ       LYS  41   0.095  -6.654  15.246
  327    H    ILE  42           H        ILE  42  -6.744  -6.651  10.173
  328    HA   ILE  42           HA       ILE  42  -9.083  -7.789  11.464
  329    HB   ILE  42           HB       ILE  42 -10.287  -5.916  10.685
  330   1HG1  ILE  42          2HG1      ILE  42  -8.229  -4.663   9.034
  331   2HG1  ILE  42          1HG1      ILE  42  -8.780  -6.200   8.385
  332   1HG2  ILE  42          3HG2      ILE  42  -7.463  -5.192  11.416
  333   2HG2  ILE  42          2HG2      ILE  42  -8.731  -3.979  11.229
  334   3HG2  ILE  42          1HG2      ILE  42  -8.888  -5.238  12.455
  335   1HD1  ILE  42          1HD1      ILE  42 -10.931  -4.427   9.268
  336   2HD1  ILE  42          3HD1      ILE  42  -9.965  -3.808   7.929
  337   3HD1  ILE  42          2HD1      ILE  42 -10.767  -5.372   7.788
  338    H    GLY  43           H        GLY  43  -7.400  -8.070   8.509
  339   1HA   GLY  43          1HA       GLY  43  -9.762  -9.218   7.172
  340   2HA   GLY  43          2HA       GLY  43  -8.279 -10.154   7.310
  341    H    PHE  44           H        PHE  44  -6.997  -7.273   7.009
  342    HA   PHE  44           HA       PHE  44  -7.484  -6.732   4.218
  343   1HB   PHE  44          2HB       PHE  44  -6.871  -5.045   6.090
  344   2HB   PHE  44          1HB       PHE  44  -5.216  -5.573   5.811
  345    HD1  PHE  44           HD1      PHE  44  -6.586  -5.934   2.725
  346    HD2  PHE  44           HD2      PHE  44  -5.546  -2.845   5.463
  347    HE1  PHE  44           HE1      PHE  44  -6.402  -4.345   0.856
  348    HE2  PHE  44           HE2      PHE  44  -5.361  -1.250   3.596
  349    HZ   PHE  44           HZ       PHE  44  -5.790  -2.000   1.292
  350    H    HIS  45           H        HIS  45  -6.382  -7.482   2.523
  351    HA   HIS  45           HA       HIS  45  -3.693  -8.554   2.871
  352   1HB   HIS  45          2HB       HIS  45  -5.080 -10.506   3.237
  353   2HB   HIS  45          1HB       HIS  45  -6.008 -10.165   1.782
  354    HD1  HIS  45           HD1      HIS  45  -4.643 -12.878   2.137
  355    HD2  HIS  45           HD2      HIS  45  -2.904  -9.653   0.177
  356    HE1  HIS  45           HE1      HIS  45  -2.924 -13.874   0.597
  357    HE2  HIS  45           HE2      HIS  45  -1.951 -11.912  -0.645
  358    H    VAL  46           H        VAL  46  -2.433  -7.885   1.262
  359    HA   VAL  46           HA       VAL  46  -3.560  -7.536  -1.411
  360    HB   VAL  46           HB       VAL  46  -1.742  -5.365  -0.505
  361   1HG1  VAL  46          3HG1      VAL  46  -3.333  -5.950  -2.753
  362   2HG1  VAL  46          2HG1      VAL  46  -4.050  -4.537  -1.977
  363   3HG1  VAL  46          1HG1      VAL  46  -2.353  -4.512  -2.461
  364   1HG2  VAL  46          3HG2      VAL  46  -4.644  -5.539   0.280
  365   2HG2  VAL  46          2HG2      VAL  46  -3.250  -5.351   1.343
  366   3HG2  VAL  46          1HG2      VAL  46  -3.722  -4.035   0.264
  367    H    CYS  47           H        CYS  47  -2.348  -9.131  -2.318
  368    HA   CYS  47           HA       CYS  47   0.385  -9.598  -1.733
  369   1HB   CYS  47          2HB       CYS  47  -1.641 -10.844  -3.264
  370   2HB   CYS  47          1HB       CYS  47  -0.300 -10.532  -4.362
  371    H    ALA  48           H        ALA  48  -0.955  -7.016  -3.185
  372    HA   ALA  48           HA       ALA  48   1.203  -6.634  -5.140
  373   1HB   ALA  48          1HB       ALA  48  -1.225  -6.326  -5.794
  374   2HB   ALA  48          2HB       ALA  48  -0.135  -4.995  -6.180
  375   3HB   ALA  48          3HB       ALA  48  -1.212  -4.879  -4.787
  376    H    ALA  49           H        ALA  49   2.631  -4.947  -4.994
  377    HA   ALA  49           HA       ALA  49   3.327  -3.988  -2.466
  378   1HB   ALA  49          3HB       ALA  49   5.171  -3.407  -3.556
  379   2HB   ALA  49          2HB       ALA  49   4.387  -3.869  -5.067
  380   3HB   ALA  49          1HB       ALA  49   4.283  -2.204  -4.492
  381    H    GLY  50           H        GLY  50   2.224  -2.620  -1.229
  382   1HA   GLY  50          2HA       GLY  50   0.296  -1.166  -0.979
  383   2HA   GLY  50          1HA       GLY  50   0.686  -0.474  -2.545
  384    H    TRP  51           H        TRP  51   1.563   1.469  -2.472
  385    HA   TRP  51           HA       TRP  51   3.797   2.225  -1.040
  386   1HB   TRP  51          2HB       TRP  51   1.555   3.778  -2.285
  387   2HB   TRP  51          1HB       TRP  51   2.810   4.616  -1.377
  388    HD1  TRP  51           HD1      TRP  51   2.071   3.275  -4.754
  389    HE1  TRP  51           HE1      TRP  51   4.172   3.401  -6.243
  390    HE3  TRP  51           HE3      TRP  51   5.555   4.307  -1.158
  391    HZ2  TRP  51           HZ2      TRP  51   6.939   3.878  -5.930
  392    HZ3  TRP  51           HZ3      TRP  51   7.903   4.584  -1.833
  393    HH2  TRP  51           HH2      TRP  51   8.580   4.373  -4.170
  394    H    MET  52           H        MET  52   3.922   3.984   0.618
  395    HA   MET  52           HA       MET  52   1.773   4.332   2.459
  396   1HB   MET  52          2HB       MET  52   3.332   3.300   4.353
  397   2HB   MET  52          1HB       MET  52   2.140   2.332   3.499
  398   1HG   MET  52          2HG       MET  52   3.848   1.469   2.024
  399   2HG   MET  52          1HG       MET  52   5.059   2.498   2.787
  400   1HE   MET  52          1HE       MET  52   2.477  -0.057   3.092
  401   2HE   MET  52          3HE       MET  52   3.389  -1.424   3.733
  402   3HE   MET  52          2HE       MET  52   2.449  -0.402   4.821
  403    H    ALA  53           H        ALA  53   2.670   5.432   4.539
  404    HA   ALA  53           HA       ALA  53   3.872   7.813   3.855
  405   1HB   ALA  53          3HB       ALA  53   4.505   7.813   6.409
  406   2HB   ALA  53          1HB       ALA  53   3.476   6.382   6.432
  407   3HB   ALA  53          2HB       ALA  53   2.825   7.927   5.884
  408    H    LYS  54           H        LYS  54   5.962   8.687   4.739
  409    HA   LYS  54           HA       LYS  54   8.233   8.671   4.969
  410   1HB   LYS  54          2HB       LYS  54   7.504   6.028   5.764
  411   2HB   LYS  54          1HB       LYS  54   8.941   5.925   4.761
  412   1HG   LYS  54          2HG       LYS  54  10.082   6.357   6.617
  413   2HG   LYS  54          1HG       LYS  54   9.522   8.019   6.440
  414   1HD   LYS  54          2HD       LYS  54   7.576   6.268   7.733
  415   2HD   LYS  54          1HD       LYS  54   9.094   6.411   8.622
  416   1HE   LYS  54          2HE       LYS  54   8.162   8.969   7.617
  417   2HE   LYS  54          1HE       LYS  54   6.979   8.197   8.672
  418   1HZ   LYS  54          2HZ       LYS  54   9.825   8.690   9.362
  419   2HZ   LYS  54          1HZ       LYS  54   8.513   9.610   9.903
  420   3HZ   LYS  54          3HZ       LYS  54   8.665   7.993  10.375
  421    H    GLY  55           H        GLY  55   6.675   6.708   2.551
  422   1HA   GLY  55          1HA       GLY  55   8.784   7.498   0.651
  423   2HA   GLY  55          2HA       GLY  55   7.114   7.133   0.225
  424    H    ARG  56           H        ARG  56   7.371   4.800   2.211
  425    HA   ARG  56           HA       ARG  56   8.979   3.004   0.533
  426   1HB   ARG  56          2HB       ARG  56   9.124   1.529   2.401
  427   2HB   ARG  56          1HB       ARG  56   9.462   3.146   3.003
  428   1HG   ARG  56          2HG       ARG  56   7.113   3.293   3.782
  429   2HG   ARG  56          1HG       ARG  56   6.889   1.611   3.292
  430   1HD   ARG  56          2HD       ARG  56   7.771   0.903   5.202
  431   2HD   ARG  56          1HD       ARG  56   9.249   1.811   4.885
  432    HE   ARG  56           HE       ARG  56   7.482   3.674   5.817
  433   1HH1  ARG  56          1HH1      ARG  56   8.742   0.651   7.003
  434   2HH1  ARG  56          2HH1      ARG  56   8.616   1.103   8.669
  435   1HH2  ARG  56          1HH2      ARG  56   7.312   4.280   8.010
  436   2HH2  ARG  56          2HH2      ARG  56   7.803   3.167   9.243
  437    H    VAL  57           H        VAL  57   8.104   0.860   0.085
  438    HA   VAL  57           HA       VAL  57   5.194   0.649   0.217
  439    HB   VAL  57           HB       VAL  57   5.188   1.459  -1.910
  440   1HG1  VAL  57          3HG1      VAL  57   7.994   0.514  -1.995
  441   2HG1  VAL  57          2HG1      VAL  57   7.142   0.706  -3.527
  442   3HG1  VAL  57          1HG1      VAL  57   7.308   2.080  -2.432
  443   1HG2  VAL  57          3HG2      VAL  57   4.289  -0.801  -2.020
  444   2HG2  VAL  57          2HG2      VAL  57   5.082  -0.370  -3.535
  445   3HG2  VAL  57          1HG2      VAL  57   5.894  -1.432  -2.386
  446    H    GLY  58           H        GLY  58   4.643  -1.290   0.941
  447   1HA   GLY  58          2HA       GLY  58   5.720  -3.331   1.946
  448   2HA   GLY  58          1HA       GLY  58   6.428  -3.572   0.356
  449    H    TYR  59           H        TYR  59   4.989  -5.606   1.438
  450    HA   TYR  59           HA       TYR  59   2.284  -5.441   0.362
  451   1HB   TYR  59          2HB       TYR  59   3.234  -7.923  -0.575
  452   2HB   TYR  59          1HB       TYR  59   2.750  -6.527  -1.534
  453    HD1  TYR  59           HD1      TYR  59   4.512  -4.800  -2.119
  454    HD2  TYR  59           HD2      TYR  59   5.485  -8.618  -0.515
  455    HE1  TYR  59           HE1      TYR  59   6.811  -4.555  -2.950
  456    HE2  TYR  59           HE2      TYR  59   7.789  -8.383  -1.343
  457    HH   TYR  59           HH       TYR  59   8.921  -7.029  -3.279
  458    HA   PRO  60           HA       PRO  60   2.328  -7.879   4.226
  459   1HB   PRO  60          2HB       PRO  60  -0.047  -6.960   5.130
  460   2HB   PRO  60          1HB       PRO  60   1.459  -6.065   5.341
  461   1HG   PRO  60          2HG       PRO  60  -0.729  -5.658   3.353
  462   2HG   PRO  60          1HG       PRO  60   0.225  -4.454   4.234
  463   1HD   PRO  60          2HD       PRO  60   0.690  -5.173   1.629
  464   2HD   PRO  60          1HD       PRO  60   1.932  -4.521   2.714
  465    H    ILE  61           H        ILE  61   1.540  -9.891   4.406
  466    HA   ILE  61           HA       ILE  61  -0.899 -10.583   2.902
  467    HB   ILE  61           HB       ILE  61   1.477 -12.412   3.245
  468   1HG1  ILE  61          1HG1      ILE  61   2.060 -10.494   1.812
  469   2HG1  ILE  61          2HG1      ILE  61   1.977 -11.990   0.887
  470   1HG2  ILE  61          3HG2      ILE  61  -0.959 -13.253   2.892
  471   2HG2  ILE  61          2HG2      ILE  61  -0.699 -12.735   1.226
  472   3HG2  ILE  61          1HG2      ILE  61   0.355 -13.953   1.947
  473   1HD1  ILE  61          1HD1      ILE  61  -0.435 -11.253   0.352
  474   2HD1  ILE  61          3HD1      ILE  61   0.115  -9.660   0.871
  475   3HD1  ILE  61          2HD1      ILE  61   0.910 -10.472  -0.479
  476    H    VAL  62           H        VAL  62  -2.285 -12.070   3.843
  477    HA   VAL  62           HA       VAL  62  -1.862 -12.495   6.711
  478    HB   VAL  62           HB       VAL  62  -4.312 -13.203   6.640
  479   1HG1  VAL  62          3HG1      VAL  62  -3.228 -10.876   7.207
  480   2HG1  VAL  62          2HG1      VAL  62  -4.074 -10.373   5.744
  481   3HG1  VAL  62          1HG1      VAL  62  -4.978 -11.058   7.094
  482   1HG2  VAL  62          1HG2      VAL  62  -3.845 -12.552   3.821
  483   2HG2  VAL  62          3HG2      VAL  62  -5.086 -13.562   4.564
  484   3HG2  VAL  62          2HG2      VAL  62  -5.289 -11.811   4.513
  485    H    LYS  63           H        LYS  63  -2.751 -14.271   3.770
  486    HA   LYS  63           HA       LYS  63  -2.063 -16.770   5.171
  487   1HB   LYS  63          2HB       LYS  63  -4.306 -16.067   3.390
  488   2HB   LYS  63          1HB       LYS  63  -3.545 -17.614   3.057
  489   1HG   LYS  63          2HG       LYS  63  -4.155 -17.100   5.886
  490   2HG   LYS  63          1HG       LYS  63  -5.551 -17.258   4.818
  491   1HD   LYS  63          2HD       LYS  63  -3.689 -19.296   4.148
  492   2HD   LYS  63          1HD       LYS  63  -3.906 -19.306   5.898
  493   1HE   LYS  63          2HE       LYS  63  -6.275 -19.173   4.075
  494   2HE   LYS  63          1HE       LYS  63  -5.490 -20.716   4.406
  495   1HZ   LYS  63          1HZ       LYS  63  -6.409 -18.914   6.568
  496   2HZ   LYS  63          3HZ       LYS  63  -7.413 -20.092   5.885
  497   3HZ   LYS  63          2HZ       LYS  63  -5.992 -20.550   6.678
  498    HA   PRO  64           HA       PRO  64   1.193 -16.340   1.985
  499   1HB   PRO  64          2HB       PRO  64   2.884 -18.090   3.242
  500   2HB   PRO  64          1HB       PRO  64   2.806 -16.364   3.602
  501   1HG   PRO  64          2HG       PRO  64   1.577 -18.665   5.058
  502   2HG   PRO  64          1HG       PRO  64   2.353 -17.211   5.709
  503   1HD   PRO  64          2HD       PRO  64  -0.332 -17.497   5.605
  504   2HD   PRO  64          1HD       PRO  64   0.463 -15.920   5.424
  505    H    GLY  65           H        GLY  65   1.244 -17.522   0.179
  506   1HA   GLY  65          2HA       GLY  65  -0.101 -19.411  -0.842
  507   2HA   GLY  65          1HA       GLY  65   0.667 -20.411   0.381
  508    HA   PRO  66           HA       PRO  66   3.422 -21.083  -3.135
  509   1HB   PRO  66          2HB       PRO  66   2.454 -20.433  -5.588
  510   2HB   PRO  66          1HB       PRO  66   1.933 -21.866  -4.696
  511   1HG   PRO  66          2HG       PRO  66   0.594 -19.201  -4.956
  512   2HG   PRO  66          1HG       PRO  66  -0.120 -20.823  -5.025
  513   1HD   PRO  66          2HD       PRO  66  -0.239 -19.269  -2.808
  514   2HD   PRO  66          1HD       PRO  66  -0.159 -21.041  -2.731
  515    H    ASN  67           H        ASN  67   2.163 -18.483  -5.124
  516    HA   ASN  67           HA       ASN  67   4.741 -17.135  -4.947
  517   1HB   ASN  67          2HB       ASN  67   4.395 -16.645  -7.102
  518   2HB   ASN  67          1HB       ASN  67   2.901 -17.574  -7.028
  519   1HD2  ASN  67          1HD2      ASN  67   0.943 -16.461  -6.540
  520   2HD2  ASN  67          2HD2      ASN  67   0.782 -14.780  -6.907
  521    H    CYS  68           H        CYS  68   1.577 -16.861  -3.712
  522    HA   CYS  68           HA       CYS  68   1.662 -14.005  -3.292
  523   1HB   CYS  68          2HB       CYS  68  -0.362 -15.910  -3.375
  524   2HB   CYS  68          1HB       CYS  68  -0.281 -15.455  -1.676
  525    H    GLY  69           H        GLY  69   3.169 -16.573  -1.855
  526   1HA   GLY  69          1HA       GLY  69   2.912 -15.816   0.904
  527   2HA   GLY  69          2HA       GLY  69   4.393 -15.207   0.176
  528    H    PHE  70           H        PHE  70   5.558 -16.998  -1.176
  529    HA   PHE  70           HA       PHE  70   5.362 -19.681  -0.725
  530   1HB   PHE  70          2HB       PHE  70   7.079 -18.265  -2.120
  531   2HB   PHE  70          1HB       PHE  70   8.083 -18.434  -0.685
  532    HD1  PHE  70           HD1      PHE  70   5.889 -20.659  -2.732
  533    HD2  PHE  70           HD2      PHE  70   9.642 -20.095  -0.808
  534    HE1  PHE  70           HE1      PHE  70   6.614 -22.880  -3.505
  535    HE2  PHE  70           HE2      PHE  70  10.375 -22.314  -1.578
  536    HZ   PHE  70           HZ       PHE  70   8.859 -23.710  -2.928
  537    H    GLY  71           H        GLY  71   6.501 -17.233   1.478
  538   1HA   GLY  71          1HA       GLY  71   7.888 -18.862   3.304
  539   2HA   GLY  71          2HA       GLY  71   6.186 -18.841   3.755
  540    H    LYS  72           H        LYS  72   5.995 -16.052   2.594
  541    HA   LYS  72           HA       LYS  72   7.603 -14.522   4.482
  542   1HB   LYS  72          2HB       LYS  72   5.608 -13.355   2.562
  543   2HB   LYS  72          1HB       LYS  72   7.046 -12.607   3.246
  544   1HG   LYS  72          2HG       LYS  72   8.469 -13.704   1.791
  545   2HG   LYS  72          1HG       LYS  72   7.302 -14.985   1.457
  546   1HD   LYS  72          2HD       LYS  72   6.218 -13.773  -0.125
  547   2HD   LYS  72          1HD       LYS  72   6.506 -12.240   0.699
  548   1HE   LYS  72          2HE       LYS  72   8.564 -11.947  -0.269
  549   2HE   LYS  72          1HE       LYS  72   8.828 -13.677  -0.483
  550   1HZ   LYS  72          1HZ       LYS  72   6.765 -12.222  -2.021
  551   2HZ   LYS  72          3HZ       LYS  72   8.369 -12.312  -2.551
  552   3HZ   LYS  72          2HZ       LYS  72   7.462 -13.725  -2.358
  553    H    THR  73           H        THR  73   6.716 -13.091   6.007
  554    HA   THR  73           HA       THR  73   3.867 -13.374   6.596
  555    HB   THR  73           HB       THR  73   4.894 -13.359   9.103
  556    HG1  THR  73           HG1      THR  73   6.999 -13.831   7.796
  557   1HG2  THR  73          1HG2      THR  73   4.066 -15.598   7.292
  558   2HG2  THR  73          3HG2      THR  73   4.530 -15.916   8.964
  559   3HG2  THR  73          2HG2      THR  73   3.167 -14.852   8.614
  560    H    GLY  74           H        GLY  74   2.946 -11.474   7.058
  561   1HA   GLY  74          2HA       GLY  74   4.506  -9.365   8.341
  562   2HA   GLY  74          1HA       GLY  74   2.764  -9.371   8.101
  563    H    ILE  75           H        ILE  75   4.071  -7.082   7.564
  564    HA   ILE  75           HA       ILE  75   3.472  -6.671   4.804
  565    HB   ILE  75           HB       ILE  75   4.951  -4.723   6.552
  566   1HG1  ILE  75          2HG1      ILE  75   2.310  -5.833   6.957
  567   2HG1  ILE  75          1HG1      ILE  75   3.226  -4.736   7.981
  568   1HG2  ILE  75          3HG2      ILE  75   4.346  -4.529   3.959
  569   2HG2  ILE  75          2HG2      ILE  75   2.844  -3.910   4.646
  570   3HG2  ILE  75          1HG2      ILE  75   4.379  -3.140   5.047
  571   1HD1  ILE  75          2HD1      ILE  75   2.450  -2.879   6.460
  572   2HD1  ILE  75          1HD1      ILE  75   1.331  -4.051   5.764
  573   3HD1  ILE  75          3HD1      ILE  75   1.221  -3.634   7.475
  574    H    ILE  76           H        ILE  76   4.812  -7.645   3.392
  575    HA   ILE  76           HA       ILE  76   7.631  -7.836   3.759
  576    HB   ILE  76           HB       ILE  76   6.225  -8.129   1.119
  577   1HG1  ILE  76          1HG1      ILE  76   4.885  -9.410   2.642
  578   2HG1  ILE  76          2HG1      ILE  76   5.911 -10.539   1.763
  579   1HG2  ILE  76          3HG2      ILE  76   8.852  -8.333   1.771
  580   2HG2  ILE  76          2HG2      ILE  76   8.321 -10.007   1.941
  581   3HG2  ILE  76          1HG2      ILE  76   8.088  -9.160   0.412
  582   1HD1  ILE  76          2HD1      ILE  76   6.796  -9.500   4.411
  583   2HD1  ILE  76          1HD1      ILE  76   5.594 -10.789   4.322
  584   3HD1  ILE  76          3HD1      ILE  76   7.190 -11.020   3.609
  585    H    ASP  77           H        ASP  77   8.175  -5.614   4.143
  586    HA   ASP  77           HA       ASP  77   8.202  -3.952   1.712
  587   1HB   ASP  77          2HB       ASP  77   7.051  -2.697   3.308
  588   2HB   ASP  77          1HB       ASP  77   8.061  -3.267   4.630
  589    H    TYR  78           H        TYR  78  10.106  -3.209   0.918
  590    HA   TYR  78           HA       TYR  78  12.540  -4.201   2.230
  591   1HB   TYR  78          2HB       TYR  78  12.078  -3.379  -0.646
  592   2HB   TYR  78          1HB       TYR  78  13.602  -3.969   0.008
  593    HD1  TYR  78           HD1      TYR  78  10.039  -5.100   0.213
  594    HD2  TYR  78           HD2      TYR  78  14.073  -6.112  -0.682
  595    HE1  TYR  78           HE1      TYR  78   9.345  -7.410  -0.266
  596    HE2  TYR  78           HE2      TYR  78  13.390  -8.425  -1.166
  597    HH   TYR  78           HH       TYR  78  11.046  -9.529  -1.951
  598    H    GLY  79           H        GLY  79  11.114  -1.729   2.956
  599   1HA   GLY  79          2HA       GLY  79  13.357  -0.023   3.230
  600   2HA   GLY  79          1HA       GLY  79  11.689   0.397   3.615
  601    H    ILE  80           H        ILE  80  12.628   2.502   2.733
  602    HA   ILE  80           HA       ILE  80  11.534   2.941   0.147
  603    HB   ILE  80           HB       ILE  80  13.345   4.818   1.665
  604   1HG1  ILE  80          1HG1      ILE  80  10.347   4.867   1.832
  605   2HG1  ILE  80          2HG1      ILE  80  11.277   3.832   2.909
  606   1HG2  ILE  80          3HG2      ILE  80  12.240   5.017  -0.854
  607   2HG2  ILE  80          2HG2      ILE  80  11.128   5.938   0.160
  608   3HG2  ILE  80          1HG2      ILE  80  12.842   6.353   0.129
  609   1HD1  ILE  80          3HD1      ILE  80  12.169   6.627   2.758
  610   2HD1  ILE  80          2HD1      ILE  80  10.584   6.358   3.482
  611   3HD1  ILE  80          1HD1      ILE  80  12.005   5.554   4.148
  612    H    ARG  81           H        ARG  81  12.462   2.522  -1.738
  613    HA   ARG  81           HA       ARG  81  15.297   1.989  -1.905
  614   1HB   ARG  81          2HB       ARG  81  13.315   2.063  -4.179
  615   2HB   ARG  81          1HB       ARG  81  14.867   1.236  -4.134
  616   1HG   ARG  81          2HG       ARG  81  12.587   0.529  -2.310
  617   2HG   ARG  81          1HG       ARG  81  12.827  -0.217  -3.891
  618   1HD   ARG  81          2HD       ARG  81  14.965  -0.172  -1.777
  619   2HD   ARG  81          1HD       ARG  81  13.769  -1.462  -1.890
  620    HE   ARG  81           HE       ARG  81  14.772  -1.405  -4.379
  621   1HH1  ARG  81          2HH1      ARG  81  16.299  -1.474  -1.250
  622   2HH1  ARG  81          1HH1      ARG  81  17.693  -2.338  -1.804
  623   1HH2  ARG  81          2HH2      ARG  81  16.604  -2.544  -5.121
  624   2HH2  ARG  81          1HH2      ARG  81  17.866  -2.947  -4.006
  625    H    LEU  82           H        LEU  82  13.993   4.772  -1.524
  626    HA   LEU  82           HA       LEU  82  14.371   6.921  -2.169
  627   1HB   LEU  82          2HB       LEU  82  16.782   5.682  -1.912
  628   2HB   LEU  82          1HB       LEU  82  16.894   6.304  -3.544
  629    HG   LEU  82           HG       LEU  82  17.888   7.873  -1.996
  630   1HD1  LEU  82          2HD1      LEU  82  15.650   8.502  -3.694
  631   2HD1  LEU  82          1HD1      LEU  82  15.771   9.649  -2.361
  632   3HD1  LEU  82          3HD1      LEU  82  17.149   9.393  -3.432
  633   1HD2  LEU  82          1HD2      LEU  82  16.059   7.027  -0.193
  634   2HD2  LEU  82          3HD2      LEU  82  17.013   8.501  -0.023
  635   3HD2  LEU  82          2HD2      LEU  82  15.370   8.582  -0.659
  636    H    ASN  83           H        ASN  83  12.754   5.559  -3.932
  637    HA   ASN  83           HA       ASN  83  13.058   7.138  -6.292
  638   1HB   ASN  83          2HB       ASN  83  14.535   4.920  -6.481
  639   2HB   ASN  83          1HB       ASN  83  12.985   4.238  -6.963
  640   1HD2  ASN  83          1HD2      ASN  83  14.397   7.431  -7.542
  641   2HD2  ASN  83          2HD2      ASN  83  14.341   7.334  -9.266
  642    H    ARG  84           H        ARG  84  10.995   7.786  -5.462
  643    HA   ARG  84           HA       ARG  84   8.826   5.974  -5.196
  644   1HB   ARG  84          2HB       ARG  84   8.227   8.797  -5.848
  645   2HB   ARG  84          1HB       ARG  84   7.607   7.784  -4.552
  646   1HG   ARG  84          2HG       ARG  84   8.958   8.780  -3.121
  647   2HG   ARG  84          1HG       ARG  84  10.356   8.233  -4.049
  648   1HD   ARG  84          2HD       ARG  84   9.403  10.349  -5.533
  649   2HD   ARG  84          1HD       ARG  84   9.145  10.876  -3.870
  650    HE   ARG  84           HE       ARG  84  11.571  10.358  -3.538
  651   1HH1  ARG  84          2HH1      ARG  84  10.303  11.141  -6.686
  652   2HH1  ARG  84          1HH1      ARG  84  11.811  11.748  -7.285
  653   1HH2  ARG  84          2HH2      ARG  84  13.562  11.156  -4.318
  654   2HH2  ARG  84          1HH2      ARG  84  13.662  11.756  -5.940
  655    H    SER  85           H        SER  85  10.474   6.831  -7.886
  656    HA   SER  85           HA       SER  85   8.315   7.262  -9.719
  657   1HB   SER  85          2HB       SER  85  11.043   7.650  -9.813
  658   2HB   SER  85          1HB       SER  85  10.811   6.266 -10.882
  659    HG   SER  85           HG       SER  85   9.781   7.494 -12.265
  660    H    GLU  86           H        GLU  86   8.692   4.695  -7.977
  661    HA   GLU  86           HA       GLU  86   8.862   2.591  -9.919
  662   1HB   GLU  86          2HB       GLU  86   8.244   2.731  -6.988
  663   2HB   GLU  86          1HB       GLU  86   7.938   1.249  -7.881
  664   1HG   GLU  86          2HG       GLU  86  10.596   2.418  -8.296
  665   2HG   GLU  86          1HG       GLU  86  10.269   1.857  -6.657
  666    H    ARG  87           H        ARG  87   6.922   0.843  -9.543
  667    HA   ARG  87           HA       ARG  87   4.383   2.275  -9.876
  668   1HB   ARG  87          2HB       ARG  87   3.845   0.613 -11.720
  669   2HB   ARG  87          1HB       ARG  87   4.976   1.899 -12.115
  670   1HG   ARG  87          2HG       ARG  87   6.571  -0.173 -11.187
  671   2HG   ARG  87          1HG       ARG  87   5.343  -0.959 -12.178
  672   1HD   ARG  87          2HD       ARG  87   6.956   1.416 -13.086
  673   2HD   ARG  87          1HD       ARG  87   7.414  -0.256 -13.407
  674    HE   ARG  87           HE       ARG  87   4.778   0.139 -14.273
  675   1HH1  ARG  87          2HH1      ARG  87   8.026   1.101 -15.080
  676   2HH1  ARG  87          1HH1      ARG  87   7.684   1.311 -16.765
  677   1HH2  ARG  87          1HH2      ARG  87   4.315   0.412 -16.489
  678   2HH2  ARG  87          2HH2      ARG  87   5.573   0.920 -17.566
  679    H    TRP  88           H        TRP  88   3.079   1.571  -8.367
  680    HA   TRP  88           HA       TRP  88   2.564  -1.261  -8.048
  681   1HB   TRP  88          2HB       TRP  88   3.147   0.267  -5.528
  682   2HB   TRP  88          1HB       TRP  88   3.097  -1.473  -5.779
  683    HD1  TRP  88           HD1      TRP  88   5.457   1.410  -5.645
  684    HE1  TRP  88           HE1      TRP  88   7.846   0.613  -6.180
  685    HE3  TRP  88           HE3      TRP  88   4.382  -3.279  -7.377
  686    HZ2  TRP  88           HZ2      TRP  88   9.108  -1.697  -7.202
  687    HZ3  TRP  88           HZ3      TRP  88   6.237  -4.720  -8.112
  688    HH2  TRP  88           HH2      TRP  88   8.550  -3.943  -8.026
  689    H    ASP  89           H        ASP  89   1.108  -1.009  -5.624
  690    HA   ASP  89           HA       ASP  89  -1.216   0.439  -6.627
  691   1HB   ASP  89          2HB       ASP  89  -1.735  -0.863  -4.128
  692   2HB   ASP  89          1HB       ASP  89  -2.382  -1.243  -5.723
  693    H    ALA  90           H        ALA  90  -2.577   1.094  -4.373
  694    HA   ALA  90           HA       ALA  90  -0.790   2.771  -2.769
  695   1HB   ALA  90          3HB       ALA  90  -1.463   4.228  -4.551
  696   2HB   ALA  90          1HB       ALA  90  -2.304   4.712  -3.079
  697   3HB   ALA  90          2HB       ALA  90  -3.158   3.799  -4.322
  698    H    TYR  91           H        TYR  91  -1.300   2.736  -0.675
  699    HA   TYR  91           HA       TYR  91  -3.784   1.449   0.142
  700   1HB   TYR  91          2HB       TYR  91  -1.210   2.149   1.526
  701   2HB   TYR  91          1HB       TYR  91  -2.648   1.776   2.465
  702    HD1  TYR  91           HD1      TYR  91  -3.898  -0.467   1.406
  703    HD2  TYR  91           HD2      TYR  91   0.267   0.408   1.359
  704    HE1  TYR  91           HE1      TYR  91  -3.400  -2.865   1.206
  705    HE2  TYR  91           HE2      TYR  91   0.773  -1.988   1.158
  706    HH   TYR  91           HH       TYR  91  -0.780  -4.119   0.147
  707    H    CYS  92           H        CYS  92  -5.488   2.790   0.236
  708    HA   CYS  92           HA       CYS  92  -5.116   5.578   0.965
  709   1HB   CYS  92          2HB       CYS  92  -7.330   3.958  -0.204
  710   2HB   CYS  92          1HB       CYS  92  -7.750   5.442   0.643
  711    H    TYR  93           H        TYR  93  -6.143   6.611   2.678
  712    HA   TYR  93           HA       TYR  93  -7.306   4.913   4.760
  713   1HB   TYR  93          2HB       TYR  93  -4.889   5.273   5.255
  714   2HB   TYR  93          1HB       TYR  93  -5.181   7.009   5.263
  715    HD1  TYR  93           HD1      TYR  93  -5.776   3.854   7.055
  716    HD2  TYR  93           HD2      TYR  93  -6.269   8.075   7.103
  717    HE1  TYR  93           HE1      TYR  93  -6.363   3.754   9.444
  718    HE2  TYR  93           HE2      TYR  93  -6.845   7.996   9.481
  719    HH   TYR  93           HH       TYR  93  -7.872   6.118  11.068
  720    H    ASN  94           H        ASN  94  -9.081   5.804   5.667
  721    HA   ASN  94           HA       ASN  94  -9.628   8.618   4.996
  722   1HB   ASN  94          2HB       ASN  94 -11.391   6.203   5.013
  723   2HB   ASN  94          1HB       ASN  94 -12.095   7.789   5.321
  724   1HD2  ASN  94          2HD2      ASN  94  -9.775   8.781   3.513
  725   2HD2  ASN  94          1HD2      ASN  94 -10.421   8.575   1.924
  726    HA   PRO  95           HA       PRO  95  -9.663   8.508   9.604
  727   1HB   PRO  95          2HB       PRO  95  -8.281  10.801   9.944
  728   2HB   PRO  95          1HB       PRO  95  -7.468   9.255   9.669
  729   1HG   PRO  95          2HG       PRO  95  -8.002  11.491   7.762
  730   2HG   PRO  95          1HG       PRO  95  -6.565  10.465   7.911
  731   1HD   PRO  95          2HD       PRO  95  -8.528  10.118   6.017
  732   2HD   PRO  95          1HD       PRO  95  -7.459   8.825   6.595
  733    H    HIS  96           H        HIS  96  -9.694  11.491   7.703
  734    HA   HIS  96           HA       HIS  96 -12.327  12.170   8.818
  735   1HB   HIS  96          2HB       HIS  96 -10.465  13.559   9.792
  736   2HB   HIS  96          1HB       HIS  96 -10.130  14.149   8.167
  737    HD1  HIS  96           HD1      HIS  96 -10.701  16.567   9.005
  738    HD2  HIS  96           HD2      HIS  96 -13.864  13.878   9.134
  739    HE1  HIS  96           HE1      HIS  96 -12.764  17.971   9.316
  740    HE2  HIS  96           HE2      HIS  96 -14.657  16.316   9.473
  741    H    ALA  97           H        ALA  97 -10.917  11.042   6.257
  742    HA   ALA  97           HA       ALA  97 -11.678  12.874   4.185
  743   1HB   ALA  97          3HB       ALA  97 -10.214  10.381   4.389
  744   2HB   ALA  97          1HB       ALA  97 -10.104  11.657   3.177
  745   3HB   ALA  97          2HB       ALA  97 -11.311  10.383   3.008
  746    H    LYS  98           H        LYS  98 -13.923  12.703   5.541
  747    HA   LYS  98           HA       LYS  98 -15.663  11.101   3.807
  748   1HB   LYS  98          2HB       LYS  98 -15.200  10.557   6.543
  749   2HB   LYS  98          1HB       LYS  98 -16.811  11.253   6.434
  750   1HG   LYS  98          2HG       LYS  98 -15.870   8.946   4.748
  751   2HG   LYS  98          1HG       LYS  98 -16.727   8.765   6.279
  752   1HD   LYS  98          2HD       LYS  98 -17.949  10.546   4.250
  753   2HD   LYS  98          1HD       LYS  98 -17.979   8.813   3.920
  754   1HE   LYS  98          2HE       LYS  98 -18.708   9.287   6.649
  755   2HE   LYS  98          1HE       LYS  98 -19.701  10.287   5.588
  756   1HZ   LYS  98          3HZ       LYS  98 -19.988   8.114   4.268
  757   2HZ   LYS  98          2HZ       LYS  98 -19.487   7.352   5.692
  758   3HZ   LYS  98          1HZ       LYS  98 -20.873   8.321   5.695

  No H/Q in entry =         758
  Start of MODEL   19
    1    H1   GLY   1          1H        GLY   1  -9.430   3.029   9.266
    2    H2   GLY   1          3H        GLY   1 -10.182   4.536   9.423
    3    H3   GLY   1          2H        GLY   1 -10.942   3.146  10.014
    4   1HA   GLY   1          1HA       GLY   1 -11.673   4.159   7.751
    5   2HA   GLY   1          2HA       GLY   1 -11.593   2.419   7.969
    6    H    VAL   2           H        VAL   2  -8.940   1.898   7.809
    7    HA   VAL   2           HA       VAL   2  -7.851   3.148   5.430
    8    HB   VAL   2           HB       VAL   2  -6.166   2.700   6.969
    9   1HG1  VAL   2          2HG1      VAL   2  -7.881   0.579   7.793
   10   2HG1  VAL   2          1HG1      VAL   2  -6.255  -0.056   7.542
   11   3HG1  VAL   2          3HG1      VAL   2  -6.512   1.297   8.644
   12   1HG2  VAL   2          1HG2      VAL   2  -6.014   1.553   4.542
   13   2HG2  VAL   2          3HG2      VAL   2  -4.692   1.555   5.709
   14   3HG2  VAL   2          2HG2      VAL   2  -5.742   0.145   5.570
   15    H    TYR   3           H        TYR   3  -7.435   2.106   3.479
   16    HA   TYR   3           HA       TYR   3  -8.256  -0.630   3.089
   17   1HB   TYR   3          2HB       TYR   3  -9.912  -0.118   1.321
   18   2HB   TYR   3          1HB       TYR   3 -10.426   0.420   2.913
   19    HD1  TYR   3           HD1      TYR   3  -9.971   2.923   3.482
   20    HD2  TYR   3           HD2      TYR   3  -9.989   1.350  -0.472
   21    HE1  TYR   3           HE1      TYR   3 -10.360   5.183   2.590
   22    HE2  TYR   3           HE2      TYR   3 -10.377   3.604  -1.374
   23    HH   TYR   3           HH       TYR   3  -9.798   6.123  -0.341
   24    H    HIS   4           H        HIS   4  -8.208  -1.112   0.604
   25    HA   HIS   4           HA       HIS   4  -5.653  -0.045  -0.342
   26   1HB   HIS   4          2HB       HIS   4  -5.962  -2.513  -0.079
   27   2HB   HIS   4          1HB       HIS   4  -7.179  -2.450  -1.349
   28    HD1  HIS   4           HD1      HIS   4  -6.342  -2.826  -3.647
   29    HD2  HIS   4           HD2      HIS   4  -3.323  -1.573  -1.082
   30    HE1  HIS   4           HE1      HIS   4  -4.226  -2.916  -5.004
   31    HE2  HIS   4           HE2      HIS   4  -2.402  -2.228  -3.408
   32    H    ARG   5           H        ARG   5  -5.386   0.224  -2.700
   33    HA   ARG   5           HA       ARG   5  -7.689   0.711  -4.331
   34   1HB   ARG   5          2HB       ARG   5  -6.442   2.893  -2.821
   35   2HB   ARG   5          1HB       ARG   5  -6.595   3.215  -4.542
   36   1HG   ARG   5          2HG       ARG   5  -8.992   2.125  -3.222
   37   2HG   ARG   5          1HG       ARG   5  -8.512   3.755  -2.743
   38   1HD   ARG   5          2HD       ARG   5  -8.262   3.891  -5.447
   39   2HD   ARG   5          1HD       ARG   5  -9.618   2.777  -5.279
   40    HE   ARG   5           HE       ARG   5 -10.199   4.858  -3.597
   41   1HH1  ARG   5          1HH1      ARG   5  -9.503   4.524  -6.992
   42   2HH1  ARG   5          2HH1      ARG   5 -10.474   5.880  -7.457
   43   1HH2  ARG   5          2HH2      ARG   5 -11.481   6.645  -4.198
   44   2HH2  ARG   5          1HH2      ARG   5 -11.600   7.086  -5.868
   45    H    GLU   6           H        GLU   6  -7.165   0.967  -6.509
   46    HA   GLU   6           HA       GLU   6  -4.316   0.568  -7.136
   47   1HB   GLU   6          2HB       GLU   6  -4.918  -0.722  -8.990
   48   2HB   GLU   6          1HB       GLU   6  -6.064  -1.213  -7.754
   49   1HG   GLU   6          2HG       GLU   6  -6.668   0.857  -9.844
   50   2HG   GLU   6          1HG       GLU   6  -7.028  -0.858 -10.033
   51    H    ALA   7           H        ALA   7  -4.317   1.086  -9.804
   52    HA   ALA   7           HA       ALA   7  -4.630   3.993  -9.822
   53   1HB   ALA   7          1HB       ALA   7  -3.151   3.951 -11.769
   54   2HB   ALA   7          2HB       ALA   7  -3.149   2.187 -11.732
   55   3HB   ALA   7          3HB       ALA   7  -2.436   3.098 -10.401
   56    H    ARG   8           H        ARG   8  -5.638   5.103 -11.541
   57    HA   ARG   8           HA       ARG   8  -8.093   4.157 -12.368
   58   1HB   ARG   8          2HB       ARG   8  -6.295   6.330 -13.374
   59   2HB   ARG   8          1HB       ARG   8  -7.762   5.941 -14.263
   60   1HG   ARG   8          2HG       ARG   8  -8.466   7.637 -12.881
   61   2HG   ARG   8          1HG       ARG   8  -8.927   6.204 -11.964
   62   1HD   ARG   8          2HD       ARG   8  -7.663   6.847 -10.258
   63   2HD   ARG   8          1HD       ARG   8  -6.242   6.909 -11.300
   64    HE   ARG   8           HE       ARG   8  -6.781   9.217 -11.769
   65   1HH1  ARG   8          1HH1      ARG   8  -8.501   7.738  -9.127
   66   2HH1  ARG   8          2HH1      ARG   8  -8.896   9.246  -8.369
   67   1HH2  ARG   8          1HH2      ARG   8  -7.296  11.208 -10.780
   68   2HH2  ARG   8          2HH2      ARG   8  -8.213  11.218  -9.309
   69    H    SER   9           H        SER   9  -4.967   3.576 -13.734
   70    HA   SER   9           HA       SER   9  -6.085   2.499 -16.198
   71   1HB   SER   9          2HB       SER   9  -3.237   2.853 -15.248
   72   2HB   SER   9          1HB       SER   9  -3.668   2.100 -16.783
   73    HG   SER   9           HG       SER   9  -3.188   4.456 -16.757
   74    H    GLY  10           H        GLY  10  -4.125   1.376 -13.455
   75   1HA   GLY  10          2HA       GLY  10  -4.131  -1.332 -14.270
   76   2HA   GLY  10          1HA       GLY  10  -5.401  -1.043 -13.095
   77    H    LYS  11           H        LYS  11  -3.955  -2.738 -12.029
   78    HA   LYS  11           HA       LYS  11  -2.655  -1.594  -9.837
   79   1HB   LYS  11          2HB       LYS  11  -3.554  -3.798  -9.638
   80   2HB   LYS  11          1HB       LYS  11  -2.580  -4.387 -10.979
   81   1HG   LYS  11          2HG       LYS  11  -0.718  -3.420  -9.165
   82   2HG   LYS  11          1HG       LYS  11  -1.942  -4.209  -8.166
   83   1HD   LYS  11          2HD       LYS  11  -1.569  -5.955 -10.289
   84   2HD   LYS  11          1HD       LYS  11   0.055  -5.374  -9.917
   85   1HE   LYS  11          2HE       LYS  11  -0.147  -6.065  -7.636
   86   2HE   LYS  11          1HE       LYS  11  -1.854  -6.449  -7.851
   87   1HZ   LYS  11          3HZ       LYS  11   0.176  -7.812  -9.491
   88   2HZ   LYS  11          2HZ       LYS  11  -0.115  -8.333  -7.909
   89   3HZ   LYS  11          1HZ       LYS  11  -1.369  -8.341  -9.044
   90    H    TYR  12           H        TYR  12  -0.455  -1.555  -9.227
   91    HA   TYR  12           HA       TYR  12   1.757  -1.136  -9.514
   92   1HB   TYR  12          2HB       TYR  12   1.296  -3.136 -11.716
   93   2HB   TYR  12          1HB       TYR  12   2.880  -2.418 -11.441
   94    HD1  TYR  12           HD1      TYR  12   1.161  -2.691  -8.376
   95    HD2  TYR  12           HD2      TYR  12   3.358  -4.988 -11.204
   96    HE1  TYR  12           HE1      TYR  12   1.620  -4.369  -6.645
   97    HE2  TYR  12           HE2      TYR  12   3.822  -6.677  -9.478
   98    HH   TYR  12           HH       TYR  12   3.956  -6.707  -6.919
   99    H    LYS  13           H        LYS  13   0.466   0.964 -10.207
  100    HA   LYS  13           HA       LYS  13   1.948   2.041 -12.440
  101   1HB   LYS  13          2HB       LYS  13  -1.035   1.702 -12.505
  102   2HB   LYS  13          1HB       LYS  13  -0.274   3.041 -13.354
  103   1HG   LYS  13          2HG       LYS  13   1.225   1.150 -14.368
  104   2HG   LYS  13          1HG       LYS  13  -0.130   0.119 -13.903
  105   1HD   LYS  13          2HD       LYS  13  -1.344   2.285 -15.119
  106   2HD   LYS  13          1HD       LYS  13   0.099   2.011 -16.096
  107   1HE   LYS  13          2HE       LYS  13  -1.917  -0.107 -15.363
  108   2HE   LYS  13          1HE       LYS  13  -1.871   0.754 -16.901
  109   1HZ   LYS  13          1HZ       LYS  13   0.367  -0.138 -17.260
  110   2HZ   LYS  13          3HZ       LYS  13   0.254  -1.015 -15.816
  111   3HZ   LYS  13          2HZ       LYS  13  -0.784  -1.369 -17.104
  112    H    LEU  14           H        LEU  14   0.930   2.275  -9.414
  113    HA   LEU  14           HA       LEU  14   0.577   5.198  -9.461
  114   1HB   LEU  14          2HB       LEU  14  -0.375   3.036  -7.653
  115   2HB   LEU  14          1HB       LEU  14  -0.055   4.608  -6.953
  116    HG   LEU  14           HG       LEU  14  -1.807   4.414  -9.367
  117   1HD1  LEU  14          3HD1      LEU  14  -2.413   2.773  -7.386
  118   2HD1  LEU  14          2HD1      LEU  14  -3.057   4.257  -6.680
  119   3HD1  LEU  14          1HD1      LEU  14  -3.651   3.693  -8.243
  120   1HD2  LEU  14          2HD2      LEU  14  -1.050   6.599  -8.475
  121   2HD2  LEU  14          1HD2      LEU  14  -2.802   6.397  -8.447
  122   3HD2  LEU  14          3HD2      LEU  14  -1.870   6.224  -6.960
  123    H    THR  15           H        THR  15   2.034   6.492  -8.546
  124    HA   THR  15           HA       THR  15   4.351   5.241  -7.238
  125    HB   THR  15           HB       THR  15   5.703   6.936  -8.027
  126    HG1  THR  15           HG1      THR  15   4.942   9.017  -8.512
  127   1HG2  THR  15          2HG2      THR  15   4.001   5.787  -9.879
  128   2HG2  THR  15          1HG2      THR  15   3.940   7.506 -10.269
  129   3HG2  THR  15          3HG2      THR  15   5.489   6.664 -10.238
  130    H    TYR  16           H        TYR  16   5.169   6.126  -5.291
  131    HA   TYR  16           HA       TYR  16   3.527   6.652  -3.254
  132   1HB   TYR  16          2HB       TYR  16   5.883   6.454  -2.845
  133   2HB   TYR  16          1HB       TYR  16   6.220   7.933  -3.739
  134    HD1  TYR  16           HD1      TYR  16   4.480   6.660  -0.702
  135    HD2  TYR  16           HD2      TYR  16   6.312   9.986  -2.629
  136    HE1  TYR  16           HE1      TYR  16   4.312   7.954   1.381
  137    HE2  TYR  16           HE2      TYR  16   6.148  11.288  -0.548
  138    HH   TYR  16           HH       TYR  16   4.207  10.484   1.976
  139    H    ALA  17           H        ALA  17   4.635   9.071  -5.572
  140    HA   ALA  17           HA       ALA  17   3.409  11.287  -4.280
  141   1HB   ALA  17          2HB       ALA  17   4.244  10.991  -7.162
  142   2HB   ALA  17          1HB       ALA  17   3.886  12.504  -6.330
  143   3HB   ALA  17          3HB       ALA  17   5.277  11.537  -5.841
  144    H    GLU  18           H        GLU  18   2.417   9.210  -7.002
  145    HA   GLU  18           HA       GLU  18  -0.039  10.589  -7.436
  146   1HB   GLU  18          2HB       GLU  18   0.847   7.820  -8.268
  147   2HB   GLU  18          1HB       GLU  18  -0.581   8.647  -8.866
  148   1HG   GLU  18          2HG       GLU  18   0.778  10.356  -9.886
  149   2HG   GLU  18          1HG       GLU  18   2.236   9.644  -9.198
  150    H    ALA  19           H        ALA  19   0.849   7.547  -5.860
  151    HA   ALA  19           HA       ALA  19  -1.612   6.592  -5.112
  152   1HB   ALA  19          2HB       ALA  19  -0.158   5.058  -4.397
  153   2HB   ALA  19          3HB       ALA  19  -0.021   6.025  -2.928
  154   3HB   ALA  19          1HB       ALA  19   1.137   6.246  -4.242
  155    H    LYS  20           H        LYS  20   0.412   8.953  -3.407
  156    HA   LYS  20           HA       LYS  20  -1.388   9.310  -1.227
  157   1HB   LYS  20          2HB       LYS  20   1.140   9.836  -1.367
  158   2HB   LYS  20          1HB       LYS  20   0.641  11.342  -2.119
  159   1HG   LYS  20          2HG       LYS  20  -0.569  11.999  -0.164
  160   2HG   LYS  20          1HG       LYS  20  -0.311  10.420   0.583
  161   1HD   LYS  20          2HD       LYS  20   2.002  10.819   0.861
  162   2HD   LYS  20          1HD       LYS  20   1.962  12.224  -0.207
  163   1HE   LYS  20          2HE       LYS  20   0.164  12.386   2.106
  164   2HE   LYS  20          1HE       LYS  20   1.879  12.334   2.509
  165   1HZ   LYS  20          3HZ       LYS  20   0.816  14.201   0.478
  166   2HZ   LYS  20          2HZ       LYS  20   0.846  14.600   2.122
  167   3HZ   LYS  20          1HZ       LYS  20   2.291  14.274   1.304
  168    H    ALA  21           H        ALA  21  -0.628  11.281  -4.086
  169    HA   ALA  21           HA       ALA  21  -2.319  13.402  -3.672
  170   1HB   ALA  21          3HB       ALA  21  -2.497  13.520  -6.191
  171   2HB   ALA  21          1HB       ALA  21  -1.565  12.022  -6.236
  172   3HB   ALA  21          2HB       ALA  21  -0.860  13.477  -5.533
  173    H    VAL  22           H        VAL  22  -3.125  10.203  -4.905
  174    HA   VAL  22           HA       VAL  22  -5.850  10.859  -5.488
  175    HB   VAL  22           HB       VAL  22  -4.285   8.307  -5.415
  176   1HG1  VAL  22          3HG1      VAL  22  -7.278   8.570  -5.577
  177   2HG1  VAL  22          2HG1      VAL  22  -6.401   7.156  -6.160
  178   3HG1  VAL  22          1HG1      VAL  22  -6.330   7.595  -4.454
  179   1HG2  VAL  22          1HG2      VAL  22  -5.705   9.928  -7.501
  180   2HG2  VAL  22          3HG2      VAL  22  -4.012   9.437  -7.440
  181   3HG2  VAL  22          2HG2      VAL  22  -5.263   8.243  -7.785
  182    H    CYS  23           H        CYS  23  -4.314   8.855  -2.982
  183    HA   CYS  23           HA       CYS  23  -6.678   8.350  -1.542
  184   1HB   CYS  23          2HB       CYS  23  -3.764   8.243  -0.783
  185   2HB   CYS  23          1HB       CYS  23  -5.045   7.809   0.340
  186    H    GLU  24           H        GLU  24  -4.488  11.033  -1.576
  187    HA   GLU  24           HA       GLU  24  -5.725  12.187   0.817
  188   1HB   GLU  24          2HB       GLU  24  -3.225  12.171   0.578
  189   2HB   GLU  24          1HB       GLU  24  -3.400  13.256  -0.793
  190   1HG   GLU  24          2HG       GLU  24  -4.140  15.018   0.536
  191   2HG   GLU  24          1HG       GLU  24  -4.538  13.954   1.885
  192    H    PHE  25           H        PHE  25  -6.061  12.149  -2.486
  193    HA   PHE  25           HA       PHE  25  -6.586  14.751  -3.252
  194   1HB   PHE  25          2HB       PHE  25  -6.708  12.348  -4.478
  195   2HB   PHE  25          1HB       PHE  25  -8.426  12.678  -4.289
  196    HD1  PHE  25           HD1      PHE  25  -5.277  14.129  -5.599
  197    HD2  PHE  25           HD2      PHE  25  -9.526  14.084  -5.781
  198    HE1  PHE  25           HE1      PHE  25  -5.198  15.573  -7.587
  199    HE2  PHE  25           HE2      PHE  25  -9.460  15.531  -7.772
  200    HZ   PHE  25           HZ       PHE  25  -7.293  16.277  -8.679
  201    H    GLU  26           H        GLU  26  -8.733  12.413  -1.697
  202    HA   GLU  26           HA       GLU  26 -10.766  14.512  -1.402
  203   1HB   GLU  26          2HB       GLU  26 -11.118  11.565  -0.879
  204   2HB   GLU  26          1HB       GLU  26 -12.375  12.781  -1.075
  205   1HG   GLU  26          2HG       GLU  26 -11.727  13.072  -3.409
  206   2HG   GLU  26          1HG       GLU  26 -10.474  11.850  -3.213
  207    H    GLY  27           H        GLY  27  -8.962  15.189   0.238
  208   1HA   GLY  27          1HA       GLY  27 -10.034  15.177   2.769
  209   2HA   GLY  27          2HA       GLY  27  -8.344  15.512   2.427
  210    H    GLY  28           H        GLY  28  -8.022  12.749   1.298
  211   1HA   GLY  28          2HA       GLY  28  -8.083  10.505   2.194
  212   2HA   GLY  28          1HA       GLY  28  -8.191  11.204   3.806
  213    H    HIS  29           H        HIS  29  -6.329   9.283   3.398
  214    HA   HIS  29           HA       HIS  29  -3.792  10.465   2.689
  215   1HB   HIS  29          2HB       HIS  29  -3.389   9.426   5.318
  216   2HB   HIS  29          1HB       HIS  29  -3.102  11.060   4.729
  217    HD1  HIS  29           HD1      HIS  29  -4.969  12.820   5.165
  218    HD2  HIS  29           HD2      HIS  29  -5.708   9.081   6.820
  219    HE1  HIS  29           HE1      HIS  29  -6.869  13.162   6.776
  220    HE2  HIS  29           HE2      HIS  29  -7.361  10.868   7.694
  221    H    LEU  30           H        LEU  30  -2.388   8.931   2.017
  222    HA   LEU  30           HA       LEU  30  -3.297   6.275   1.723
  223   1HB   LEU  30          2HB       LEU  30  -1.649   6.134   0.245
  224   2HB   LEU  30          1HB       LEU  30  -1.300   7.815   0.597
  225    HG   LEU  30           HG       LEU  30   0.088   6.491   2.570
  226   1HD1  LEU  30          3HD1      LEU  30  -0.565   4.472   0.899
  227   2HD1  LEU  30          2HD1      LEU  30   0.968   4.997   0.203
  228   3HD1  LEU  30          1HD1      LEU  30   0.889   4.507   1.896
  229   1HD2  LEU  30          1HD2      LEU  30   0.656   7.959   0.125
  230   2HD2  LEU  30          3HD2      LEU  30   1.434   8.047   1.706
  231   3HD2  LEU  30          2HD2      LEU  30   1.932   6.814   0.547
  232    H    ALA  31           H        ALA  31  -3.218   4.618   3.049
  233    HA   ALA  31           HA       ALA  31  -2.482   4.771   5.699
  234   1HB   ALA  31          1HB       ALA  31  -3.188   2.603   3.845
  235   2HB   ALA  31          3HB       ALA  31  -2.275   2.110   5.271
  236   3HB   ALA  31          2HB       ALA  31  -3.804   2.970   5.457
  237    H    THR  32           H        THR  32  -0.800   3.552   6.868
  238    HA   THR  32           HA       THR  32   1.767   3.694   5.428
  239    HB   THR  32           HB       THR  32   2.862   4.111   7.510
  240    HG1  THR  32           HG1      THR  32   1.515   2.698   8.790
  241   1HG2  THR  32          1HG2      THR  32   0.392   5.722   7.011
  242   2HG2  THR  32          3HG2      THR  32   1.422   6.093   8.393
  243   3HG2  THR  32          2HG2      THR  32   2.083   6.156   6.760
  244    H    TYR  33           H        TYR  33   3.323   2.334   7.262
  245    HA   TYR  33           HA       TYR  33   2.780  -0.385   6.536
  246   1HB   TYR  33          2HB       TYR  33   5.069   0.178   6.594
  247   2HB   TYR  33          1HB       TYR  33   4.926   0.966   8.157
  248    HD1  TYR  33           HD1      TYR  33   4.490  -2.424   6.627
  249    HD2  TYR  33           HD2      TYR  33   5.710  -0.150  10.012
  250    HE1  TYR  33           HE1      TYR  33   5.230  -4.487   7.739
  251    HE2  TYR  33           HE2      TYR  33   6.454  -2.209  11.132
  252    HH   TYR  33           HH       TYR  33   6.415  -5.321   9.475
  253    H    LYS  34           H        LYS  34   3.549   0.910   9.733
  254    HA   LYS  34           HA       LYS  34   2.519  -1.111  11.262
  255   1HB   LYS  34          2HB       LYS  34   2.338   1.802  12.026
  256   2HB   LYS  34          1HB       LYS  34   2.469   0.423  13.105
  257   1HG   LYS  34          2HG       LYS  34   4.711   0.173  12.745
  258   2HG   LYS  34          1HG       LYS  34   4.644   0.891  11.135
  259   1HD   LYS  34          2HD       LYS  34   5.573   2.663  12.178
  260   2HD   LYS  34          1HD       LYS  34   3.901   3.007  12.629
  261   1HE   LYS  34          2HE       LYS  34   4.240   2.487  14.795
  262   2HE   LYS  34          1HE       LYS  34   5.327   1.152  14.410
  263   1HZ   LYS  34          3HZ       LYS  34   6.370   3.792  13.842
  264   2HZ   LYS  34          2HZ       LYS  34   6.117   3.468  15.482
  265   3HZ   LYS  34          1HZ       LYS  34   7.123   2.463  14.568
  266    H    GLN  35           H        GLN  35   0.788   1.662   9.902
  267    HA   GLN  35           HA       GLN  35  -1.665   1.181  11.206
  268   1HB   GLN  35          2HB       GLN  35  -1.053   2.571   8.593
  269   2HB   GLN  35          1HB       GLN  35  -2.619   2.599   9.385
  270   1HG   GLN  35          2HG       GLN  35  -1.678   3.741  11.293
  271   2HG   GLN  35          1HG       GLN  35  -0.067   3.638  10.588
  272   1HE2  GLN  35          1HE2      GLN  35  -1.149   6.042  11.357
  273   2HE2  GLN  35          2HE2      GLN  35  -1.465   7.005   9.958
  274    H    LEU  36           H        LEU  36  -0.531   0.319   7.940
  275    HA   LEU  36           HA       LEU  36  -2.803  -1.061   7.111
  276   1HB   LEU  36          2HB       LEU  36  -0.583  -0.402   5.887
  277   2HB   LEU  36          1HB       LEU  36  -0.058  -1.989   6.389
  278    HG   LEU  36           HG       LEU  36  -0.936  -1.960   4.080
  279   1HD1  LEU  36          1HD1      LEU  36  -1.170  -3.924   5.750
  280   2HD1  LEU  36          3HD1      LEU  36  -2.886  -3.519   5.726
  281   3HD1  LEU  36          2HD1      LEU  36  -2.066  -3.974   4.232
  282   1HD2  LEU  36          2HD2      LEU  36  -3.390  -0.951   5.471
  283   2HD2  LEU  36          1HD2      LEU  36  -2.573  -0.304   4.047
  284   3HD2  LEU  36          3HD2      LEU  36  -3.493  -1.804   3.931
  285    H    GLU  37           H        GLU  37  -0.043  -2.025   9.028
  286    HA   GLU  37           HA       GLU  37  -0.417  -4.774   9.159
  287   1HB   GLU  37          2HB       GLU  37   1.532  -3.540  10.088
  288   2HB   GLU  37          1HB       GLU  37   0.509  -2.965  11.394
  289   1HG   GLU  37          2HG       GLU  37   1.480  -4.737  12.423
  290   2HG   GLU  37          1HG       GLU  37   0.066  -5.530  11.732
  291    H    ALA  38           H        ALA  38  -1.500  -2.367  11.527
  292    HA   ALA  38           HA       ALA  38  -3.082  -4.045  13.064
  293   1HB   ALA  38          1HB       ALA  38  -2.380  -1.680  13.599
  294   2HB   ALA  38          2HB       ALA  38  -4.043  -2.099  14.016
  295   3HB   ALA  38          3HB       ALA  38  -3.708  -1.144  12.571
  296    H    ALA  39           H        ALA  39  -3.632  -2.778   9.930
  297    HA   ALA  39           HA       ALA  39  -6.509  -3.271  10.010
  298   1HB   ALA  39          3HB       ALA  39  -4.785  -2.390   7.697
  299   2HB   ALA  39          2HB       ALA  39  -6.547  -2.365   7.770
  300   3HB   ALA  39          1HB       ALA  39  -5.605  -1.296   8.810
  301    H    ARG  40           H        ARG  40  -3.551  -4.667   8.951
  302    HA   ARG  40           HA       ARG  40  -4.624  -6.605   7.165
  303   1HB   ARG  40          2HB       ARG  40  -2.339  -6.020   6.907
  304   2HB   ARG  40          1HB       ARG  40  -2.008  -6.276   8.616
  305   1HG   ARG  40          2HG       ARG  40  -2.979  -8.713   7.519
  306   2HG   ARG  40          1HG       ARG  40  -1.709  -8.092   6.464
  307   1HD   ARG  40          2HD       ARG  40  -0.098  -8.216   8.100
  308   2HD   ARG  40          1HD       ARG  40  -1.269  -8.096   9.412
  309    HE   ARG  40           HE       ARG  40  -1.400 -10.520   7.830
  310   1HH1  ARG  40          1HH1      ARG  40  -0.149  -8.938  10.669
  311   2HH1  ARG  40          2HH1      ARG  40   0.156 -10.418  11.517
  312   1HH2  ARG  40          1HH2      ARG  40  -1.002 -12.474   8.939
  313   2HH2  ARG  40          2HH2      ARG  40  -0.327 -12.428  10.533
  314    H    LYS  41           H        LYS  41  -3.942  -6.426  10.586
  315    HA   LYS  41           HA       LYS  41  -4.202  -9.188  11.137
  316   1HB   LYS  41          2HB       LYS  41  -4.715  -6.937  13.075
  317   2HB   LYS  41          1HB       LYS  41  -4.203  -8.577  13.449
  318   1HG   LYS  41          2HG       LYS  41  -2.145  -7.934  11.956
  319   2HG   LYS  41          1HG       LYS  41  -2.629  -6.292  12.384
  320   1HD   LYS  41          2HD       LYS  41  -2.734  -7.407  14.811
  321   2HD   LYS  41          1HD       LYS  41  -1.511  -8.449  14.079
  322   1HE   LYS  41          2HE       LYS  41  -0.087  -6.844  14.752
  323   2HE   LYS  41          1HE       LYS  41  -0.630  -6.017  13.292
  324   1HZ   LYS  41          1HZ       LYS  41  -2.495  -5.231  15.005
  325   2HZ   LYS  41          3HZ       LYS  41  -1.203  -5.425  16.080
  326   3HZ   LYS  41          2HZ       LYS  41  -1.054  -4.380  14.759
  327    H    ILE  42           H        ILE  42  -6.496  -6.761  10.440
  328    HA   ILE  42           HA       ILE  42  -8.677  -8.099  11.819
  329    HB   ILE  42           HB       ILE  42 -10.048  -6.292  11.172
  330   1HG1  ILE  42          2HG1      ILE  42  -8.171  -4.854   9.451
  331   2HG1  ILE  42          1HG1      ILE  42  -8.665  -6.403   8.783
  332   1HG2  ILE  42          1HG2      ILE  42  -7.243  -5.391  11.771
  333   2HG2  ILE  42          3HG2      ILE  42  -8.599  -4.266  11.692
  334   3HG2  ILE  42          2HG2      ILE  42  -8.601  -5.566  12.884
  335   1HD1  ILE  42          3HD1      ILE  42 -10.530  -4.223   9.685
  336   2HD1  ILE  42          2HD1      ILE  42 -10.085  -4.575   8.015
  337   3HD1  ILE  42          1HD1      ILE  42 -10.995  -5.759   8.954
  338    H    GLY  43           H        GLY  43  -7.108  -8.218   8.811
  339   1HA   GLY  43          1HA       GLY  43  -9.440  -9.531   7.564
  340   2HA   GLY  43          2HA       GLY  43  -7.847 -10.278   7.540
  341    H    PHE  44           H        PHE  44  -6.867  -7.314   7.284
  342    HA   PHE  44           HA       PHE  44  -7.685  -6.658   4.591
  343   1HB   PHE  44          2HB       PHE  44  -7.071  -5.009   6.474
  344   2HB   PHE  44          1HB       PHE  44  -5.399  -5.382   6.072
  345    HD1  PHE  44           HD1      PHE  44  -7.271  -5.647   3.143
  346    HD2  PHE  44           HD2      PHE  44  -5.626  -2.756   5.798
  347    HE1  PHE  44           HE1      PHE  44  -7.330  -3.968   1.346
  348    HE2  PHE  44           HE2      PHE  44  -5.684  -1.072   4.005
  349    HZ   PHE  44           HZ       PHE  44  -6.535  -1.679   1.777
  350    H    HIS  45           H        HIS  45  -6.982  -8.132   3.132
  351    HA   HIS  45           HA       HIS  45  -4.071  -8.565   2.969
  352   1HB   HIS  45          2HB       HIS  45  -5.175 -10.637   3.591
  353   2HB   HIS  45          1HB       HIS  45  -6.309 -10.472   2.257
  354    HD1  HIS  45           HD1      HIS  45  -4.502 -12.969   2.610
  355    HD2  HIS  45           HD2      HIS  45  -3.610  -9.725   0.170
  356    HE1  HIS  45           HE1      HIS  45  -2.909 -13.849   0.875
  357    HE2  HIS  45           HE2      HIS  45  -2.467 -11.894  -0.650
  358    H    VAL  46           H        VAL  46  -3.182  -7.657   1.237
  359    HA   VAL  46           HA       VAL  46  -4.633  -7.696  -1.302
  360    HB   VAL  46           HB       VAL  46  -3.181  -5.198  -1.027
  361   1HG1  VAL  46          3HG1      VAL  46  -5.540  -6.276  -2.271
  362   2HG1  VAL  46          2HG1      VAL  46  -5.892  -4.726  -1.505
  363   3HG1  VAL  46          1HG1      VAL  46  -4.598  -4.848  -2.698
  364   1HG2  VAL  46          2HG2      VAL  46  -3.919  -5.414   1.324
  365   2HG2  VAL  46          1HG2      VAL  46  -4.671  -4.053   0.485
  366   3HG2  VAL  46          3HG2      VAL  46  -5.585  -5.538   0.760
  367    H    CYS  47           H        CYS  47  -3.221  -9.177  -2.166
  368    HA   CYS  47           HA       CYS  47  -0.412  -9.072  -1.930
  369   1HB   CYS  47          2HB       CYS  47  -1.915 -11.024  -2.691
  370   2HB   CYS  47          1HB       CYS  47  -1.835 -10.286  -4.285
  371    H    ALA  48           H        ALA  48   0.281  -6.974  -2.384
  372    HA   ALA  48           HA       ALA  48   1.200  -6.433  -4.922
  373   1HB   ALA  48          2HB       ALA  48  -1.442  -6.185  -5.123
  374   2HB   ALA  48          3HB       ALA  48  -0.323  -5.176  -6.045
  375   3HB   ALA  48          1HB       ALA  48  -1.062  -4.552  -4.569
  376    H    ALA  49           H        ALA  49   2.796  -5.021  -4.659
  377    HA   ALA  49           HA       ALA  49   3.526  -3.858  -2.301
  378   1HB   ALA  49          1HB       ALA  49   5.300  -3.266  -3.496
  379   2HB   ALA  49          3HB       ALA  49   4.457  -3.812  -4.946
  380   3HB   ALA  49          2HB       ALA  49   4.339  -2.126  -4.439
  381    H    GLY  50           H        GLY  50   2.106  -2.709  -1.098
  382   1HA   GLY  50          2HA       GLY  50   0.255  -1.219  -0.833
  383   2HA   GLY  50          1HA       GLY  50   0.658  -0.498  -2.383
  384    H    TRP  51           H        TRP  51   1.699   1.379  -2.359
  385    HA   TRP  51           HA       TRP  51   3.841   2.163  -0.881
  386   1HB   TRP  51          2HB       TRP  51   1.569   3.728  -2.057
  387   2HB   TRP  51          1HB       TRP  51   2.829   4.551  -1.141
  388    HD1  TRP  51           HD1      TRP  51   2.066   3.237  -4.535
  389    HE1  TRP  51           HE1      TRP  51   4.142   3.453  -6.052
  390    HE3  TRP  51           HE3      TRP  51   5.562   4.350  -0.977
  391    HZ2  TRP  51           HZ2      TRP  51   6.895   4.024  -5.770
  392    HZ3  TRP  51           HZ3      TRP  51   7.890   4.718  -1.678
  393    HH2  TRP  51           HH2      TRP  51   8.542   4.557  -4.026
  394    H    MET  52           H        MET  52   4.099   3.622   0.917
  395    HA   MET  52           HA       MET  52   2.045   4.272   2.721
  396   1HB   MET  52          2HB       MET  52   3.186   2.613   4.525
  397   2HB   MET  52          1HB       MET  52   1.725   2.225   3.628
  398   1HG   MET  52          2HG       MET  52   3.090   1.042   1.961
  399   2HG   MET  52          1HG       MET  52   4.527   1.388   2.921
  400   1HE   MET  52          2HE       MET  52   5.496  -0.347   3.442
  401   2HE   MET  52          1HE       MET  52   5.121  -1.208   4.934
  402   3HE   MET  52          3HE       MET  52   4.767  -1.952   3.375
  403    H    ALA  53           H        ALA  53   3.119   4.704   5.019
  404    HA   ALA  53           HA       ALA  53   4.508   6.135   6.128
  405   1HB   ALA  53          1HB       ALA  53   6.886   5.044   4.752
  406   2HB   ALA  53          3HB       ALA  53   6.569   5.262   6.473
  407   3HB   ALA  53          2HB       ALA  53   5.856   3.900   5.611
  408    H    LYS  54           H        LYS  54   6.914   7.300   5.522
  409    HA   LYS  54           HA       LYS  54   6.107   9.486   3.911
  410   1HB   LYS  54          2HB       LYS  54   8.214   8.891   5.721
  411   2HB   LYS  54          1HB       LYS  54   8.947   9.455   4.227
  412   1HG   LYS  54          2HG       LYS  54   8.669  11.445   5.273
  413   2HG   LYS  54          1HG       LYS  54   7.108  11.340   4.458
  414   1HD   LYS  54          2HD       LYS  54   5.996  11.222   6.393
  415   2HD   LYS  54          1HD       LYS  54   7.107  10.017   7.048
  416   1HE   LYS  54          2HE       LYS  54   8.718  12.081   7.246
  417   2HE   LYS  54          1HE       LYS  54   7.206  12.990   7.224
  418   1HZ   LYS  54          3HZ       LYS  54   6.548  11.253   9.037
  419   2HZ   LYS  54          2HZ       LYS  54   8.221  11.125   9.244
  420   3HZ   LYS  54          1HZ       LYS  54   7.458  12.620   9.445
  421    H    GLY  55           H        GLY  55   6.969   6.493   2.927
  422   1HA   GLY  55          1HA       GLY  55   8.690   7.239   0.716
  423   2HA   GLY  55          2HA       GLY  55   7.033   6.855   0.264
  424    H    ARG  56           H        ARG  56   7.238   4.971   2.768
  425    HA   ARG  56           HA       ARG  56   8.910   2.862   1.656
  426   1HB   ARG  56          2HB       ARG  56   7.773   3.500   4.274
  427   2HB   ARG  56          1HB       ARG  56   7.624   1.798   3.858
  428   1HG   ARG  56          2HG       ARG  56   9.921   1.488   3.763
  429   2HG   ARG  56          1HG       ARG  56  10.243   3.211   3.561
  430   1HD   ARG  56          2HD       ARG  56   9.768   3.670   5.822
  431   2HD   ARG  56          1HD       ARG  56   9.011   2.096   6.064
  432    HE   ARG  56           HE       ARG  56  11.906   2.526   5.707
  433   1HH1  ARG  56          2HH1      ARG  56   9.207   0.713   6.958
  434   2HH1  ARG  56          1HH1      ARG  56  10.198  -0.412   7.825
  435   1HH2  ARG  56          1HH2      ARG  56  13.220   1.048   6.844
  436   2HH2  ARG  56          2HH2      ARG  56  12.480  -0.223   7.761
  437    H    VAL  57           H        VAL  57   8.168   1.154   0.550
  438    HA   VAL  57           HA       VAL  57   5.257   0.692   0.500
  439    HB   VAL  57           HB       VAL  57   5.437   1.444  -1.636
  440   1HG1  VAL  57          3HG1      VAL  57   8.319   0.749  -1.360
  441   2HG1  VAL  57          2HG1      VAL  57   7.641   0.956  -2.975
  442   3HG1  VAL  57          1HG1      VAL  57   7.563   2.278  -1.810
  443   1HG2  VAL  57          2HG2      VAL  57   5.184  -1.203  -1.521
  444   2HG2  VAL  57          1HG2      VAL  57   5.208  -0.323  -3.048
  445   3HG2  VAL  57          3HG2      VAL  57   6.670  -1.121  -2.467
  446    H    GLY  58           H        GLY  58   4.623  -1.334   0.923
  447   1HA   GLY  58          2HA       GLY  58   5.711  -3.309   2.146
  448   2HA   GLY  58          1HA       GLY  58   6.594  -3.506   0.639
  449    H    TYR  59           H        TYR  59   5.291  -5.659   1.358
  450    HA   TYR  59           HA       TYR  59   2.818  -5.639  -0.249
  451   1HB   TYR  59          2HB       TYR  59   4.368  -8.163   0.058
  452   2HB   TYR  59          1HB       TYR  59   3.406  -7.592  -1.302
  453    HD1  TYR  59           HD1      TYR  59   4.601  -4.993  -1.903
  454    HD2  TYR  59           HD2      TYR  59   6.471  -8.648  -0.785
  455    HE1  TYR  59           HE1      TYR  59   6.654  -4.290  -3.058
  456    HE2  TYR  59           HE2      TYR  59   8.528  -7.955  -1.938
  457    HH   TYR  59           HH       TYR  59   9.473  -5.303  -2.577
  458    HA   PRO  60           HA       PRO  60   1.694  -6.858   4.087
  459   1HB   PRO  60          2HB       PRO  60  -0.829  -5.565   3.293
  460   2HB   PRO  60          1HB       PRO  60   0.179  -5.279   4.712
  461   1HG   PRO  60          2HG       PRO  60   0.020  -3.510   2.690
  462   2HG   PRO  60          1HG       PRO  60   1.505  -3.745   3.627
  463   1HD   PRO  60          1HD       PRO  60   0.808  -4.727   0.895
  464   2HD   PRO  60          2HD       PRO  60   2.363  -4.146   1.525
  465    H    ILE  61           H        ILE  61   1.007  -8.873   4.357
  466    HA   ILE  61           HA       ILE  61  -1.219  -9.851   2.698
  467    HB   ILE  61           HB       ILE  61   1.204 -11.483   3.471
  468   1HG1  ILE  61          1HG1      ILE  61   1.688  -9.799   1.722
  469   2HG1  ILE  61          2HG1      ILE  61   1.784 -11.445   1.106
  470   1HG2  ILE  61          2HG2      ILE  61  -1.004 -12.675   3.316
  471   2HG2  ILE  61          1HG2      ILE  61  -1.042 -12.228   1.611
  472   3HG2  ILE  61          3HG2      ILE  61   0.249 -13.264   2.222
  473   1HD1  ILE  61          1HD1      ILE  61  -0.657 -11.054   0.363
  474   2HD1  ILE  61          3HD1      ILE  61  -0.266  -9.347   0.568
  475   3HD1  ILE  61          2HD1      ILE  61   0.657 -10.333  -0.566
  476    H    VAL  62           H        VAL  62  -2.524 -11.487   3.668
  477    HA   VAL  62           HA       VAL  62  -2.470 -11.368   6.600
  478    HB   VAL  62           HB       VAL  62  -4.675 -11.854   4.621
  479   1HG1  VAL  62          2HG1      VAL  62  -4.724 -12.463   7.571
  480   2HG1  VAL  62          1HG1      VAL  62  -6.163 -12.314   6.562
  481   3HG1  VAL  62          3HG1      VAL  62  -4.990 -13.591   6.241
  482   1HG2  VAL  62          1HG2      VAL  62  -3.826  -9.572   5.726
  483   2HG2  VAL  62          3HG2      VAL  62  -5.516  -9.869   5.316
  484   3HG2  VAL  62          2HG2      VAL  62  -4.959 -10.088   6.975
  485    H    LYS  63           H        LYS  63  -3.527 -13.754   4.158
  486    HA   LYS  63           HA       LYS  63  -2.381 -15.856   5.875
  487   1HB   LYS  63          2HB       LYS  63  -4.904 -15.666   4.350
  488   2HB   LYS  63          1HB       LYS  63  -4.080 -17.216   4.267
  489   1HG   LYS  63          2HG       LYS  63  -4.041 -16.512   6.966
  490   2HG   LYS  63          1HG       LYS  63  -5.656 -16.093   6.389
  491   1HD   LYS  63          2HD       LYS  63  -4.777 -18.655   5.364
  492   2HD   LYS  63          1HD       LYS  63  -4.758 -18.615   7.127
  493   1HE   LYS  63          2HE       LYS  63  -7.051 -18.081   7.242
  494   2HE   LYS  63          1HE       LYS  63  -7.122 -17.678   5.528
  495   1HZ   LYS  63          1HZ       LYS  63  -6.353 -20.402   6.259
  496   2HZ   LYS  63          3HZ       LYS  63  -7.979 -19.970   6.434
  497   3HZ   LYS  63          2HZ       LYS  63  -7.230 -19.850   4.922
  498    HA   PRO  64           HA       PRO  64   0.483 -17.144   2.802
  499   1HB   PRO  64          2HB       PRO  64  -0.542 -19.909   3.096
  500   2HB   PRO  64          1HB       PRO  64   1.093 -19.286   3.323
  501   1HG   PRO  64          2HG       PRO  64  -0.436 -19.977   5.406
  502   2HG   PRO  64          1HG       PRO  64   0.677 -18.601   5.487
  503   1HD   PRO  64          2HD       PRO  64  -2.291 -18.626   5.182
  504   2HD   PRO  64          1HD       PRO  64  -1.254 -17.485   6.063
  505    H    GLY  65           H        GLY  65   0.479 -19.024   0.915
  506   1HA   GLY  65          1HA       GLY  65  -1.815 -19.617  -0.504
  507   2HA   GLY  65          2HA       GLY  65  -0.235 -19.393  -1.240
  508    HA   PRO  66           HA       PRO  66  -1.665 -15.096  -2.039
  509   1HB   PRO  66          2HB       PRO  66   0.443 -14.209  -3.392
  510   2HB   PRO  66          1HB       PRO  66   0.498 -14.352  -1.631
  511   1HG   PRO  66          2HG       PRO  66   1.634 -16.167  -3.720
  512   2HG   PRO  66          1HG       PRO  66   2.348 -15.645  -2.183
  513   1HD   PRO  66          2HD       PRO  66   1.054 -18.066  -2.598
  514   2HD   PRO  66          1HD       PRO  66   1.305 -17.299  -1.020
  515    H    ASN  67           H        ASN  67  -0.284 -17.543  -4.139
  516    HA   ASN  67           HA       ASN  67  -0.516 -17.998  -6.352
  517   1HB   ASN  67          2HB       ASN  67  -2.820 -18.397  -5.097
  518   2HB   ASN  67          1HB       ASN  67  -3.344 -17.106  -6.163
  519   1HD2  ASN  67          1HD2      ASN  67  -0.967 -19.617  -6.766
  520   2HD2  ASN  67          2HD2      ASN  67  -1.811 -20.367  -8.069
  521    H    CYS  68           H        CYS  68  -0.111 -15.115  -5.411
  522    HA   CYS  68           HA       CYS  68  -0.938 -13.777  -7.898
  523   1HB   CYS  68          2HB       CYS  68  -1.699 -12.122  -6.616
  524   2HB   CYS  68          1HB       CYS  68  -1.252 -13.034  -5.183
  525    H    GLY  69           H        GLY  69   1.699 -14.177  -5.579
  526   1HA   GLY  69          1HA       GLY  69   3.570 -12.569  -6.991
  527   2HA   GLY  69          2HA       GLY  69   3.736 -14.257  -7.458
  528    H    PHE  70           H        PHE  70   2.712 -14.765  -4.534
  529    HA   PHE  70           HA       PHE  70   3.751 -15.507  -2.640
  530   1HB   PHE  70          2HB       PHE  70   5.719 -15.781  -4.524
  531   2HB   PHE  70          1HB       PHE  70   6.486 -14.703  -3.362
  532    HD1  PHE  70           HD1      PHE  70   4.654 -17.929  -3.582
  533    HD2  PHE  70           HD2      PHE  70   7.497 -15.567  -1.473
  534    HE1  PHE  70           HE1      PHE  70   5.190 -19.859  -2.152
  535    HE2  PHE  70           HE2      PHE  70   8.039 -17.492  -0.040
  536    HZ   PHE  70           HZ       PHE  70   6.885 -19.642  -0.378
  537    H    GLY  71           H        GLY  71   2.679 -13.700  -1.642
  538   1HA   GLY  71          1HA       GLY  71   2.602 -11.540  -0.711
  539   2HA   GLY  71          2HA       GLY  71   4.274 -11.294  -1.202
  540    H    LYS  72           H        LYS  72   4.746 -14.101   0.002
  541    HA   LYS  72           HA       LYS  72   5.274 -15.049   2.014
  542   1HB   LYS  72          2HB       LYS  72   6.717 -12.663   1.536
  543   2HB   LYS  72          1HB       LYS  72   6.401 -12.746   3.266
  544   1HG   LYS  72          2HG       LYS  72   7.855 -14.417   3.561
  545   2HG   LYS  72          1HG       LYS  72   7.299 -15.275   2.123
  546   1HD   LYS  72          2HD       LYS  72   9.570 -14.679   1.744
  547   2HD   LYS  72          1HD       LYS  72   8.581 -13.607   0.752
  548   1HE   LYS  72          2HE       LYS  72   9.240 -11.776   1.864
  549   2HE   LYS  72          1HE       LYS  72   9.124 -12.574   3.432
  550   1HZ   LYS  72          1HZ       LYS  72  11.269 -13.767   2.295
  551   2HZ   LYS  72          3HZ       LYS  72  11.418 -12.173   1.748
  552   3HZ   LYS  72          2HZ       LYS  72  11.338 -12.495   3.406
  553    H    THR  73           H        THR  73   5.551 -14.075   4.557
  554    HA   THR  73           HA       THR  73   2.751 -13.599   5.288
  555    HB   THR  73           HB       THR  73   3.937 -14.119   7.658
  556    HG1  THR  73           HG1      THR  73   5.938 -14.494   6.268
  557   1HG2  THR  73          3HG2      THR  73   1.998 -15.266   6.426
  558   2HG2  THR  73          2HG2      THR  73   3.220 -16.384   5.818
  559   3HG2  THR  73          1HG2      THR  73   2.942 -16.241   7.553
  560    H    GLY  74           H        GLY  74   2.119 -11.685   6.033
  561   1HA   GLY  74          2HA       GLY  74   3.922 -10.030   7.599
  562   2HA   GLY  74          1HA       GLY  74   2.217  -9.720   7.292
  563    H    ILE  75           H        ILE  75   3.542  -7.528   7.098
  564    HA   ILE  75           HA       ILE  75   3.421  -6.833   4.330
  565    HB   ILE  75           HB       ILE  75   4.465  -5.152   6.611
  566   1HG1  ILE  75          1HG1      ILE  75   1.700  -5.781   5.656
  567   2HG1  ILE  75          2HG1      ILE  75   2.295  -5.581   7.301
  568   1HG2  ILE  75          1HG2      ILE  75   4.520  -4.714   3.865
  569   2HG2  ILE  75          3HG2      ILE  75   3.152  -3.764   4.445
  570   3HG2  ILE  75          2HG2      ILE  75   4.754  -3.514   5.136
  571   1HD1  ILE  75          2HD1      ILE  75   2.459  -3.161   6.921
  572   2HD1  ILE  75          1HD1      ILE  75   1.786  -3.391   5.308
  573   3HD1  ILE  75          3HD1      ILE  75   0.817  -3.774   6.730
  574    H    ILE  76           H        ILE  76   4.964  -7.349   2.949
  575    HA   ILE  76           HA       ILE  76   7.727  -7.597   3.839
  576    HB   ILE  76           HB       ILE  76   6.660  -8.085   1.061
  577   1HG1  ILE  76          2HG1      ILE  76   5.385  -9.585   2.334
  578   2HG1  ILE  76          1HG1      ILE  76   6.780 -10.545   1.854
  579   1HG2  ILE  76          2HG2      ILE  76   9.250  -8.033   2.111
  580   2HG2  ILE  76          1HG2      ILE  76   8.852  -9.739   1.910
  581   3HG2  ILE  76          3HG2      ILE  76   8.744  -8.641   0.535
  582   1HD1  ILE  76          1HD1      ILE  76   7.795 -10.025   4.072
  583   2HD1  ILE  76          3HD1      ILE  76   6.260  -9.284   4.528
  584   3HD1  ILE  76          2HD1      ILE  76   6.328 -11.003   4.134
  585    H    ASP  77           H        ASP  77   8.019  -5.313   4.225
  586    HA   ASP  77           HA       ASP  77   8.194  -3.669   1.800
  587   1HB   ASP  77          2HB       ASP  77   6.948  -2.469   3.361
  588   2HB   ASP  77          1HB       ASP  77   7.918  -3.031   4.716
  589    H    TYR  78           H        TYR  78  10.100  -3.110   0.968
  590    HA   TYR  78           HA       TYR  78  12.521  -3.970   2.355
  591   1HB   TYR  78          2HB       TYR  78  12.057  -3.047  -0.488
  592   2HB   TYR  78          1HB       TYR  78  13.624  -3.525   0.157
  593    HD1  TYR  78           HD1      TYR  78  10.143  -4.892   0.018
  594    HD2  TYR  78           HD2      TYR  78  14.312  -5.668  -0.326
  595    HE1  TYR  78           HE1      TYR  78   9.653  -7.234  -0.546
  596    HE2  TYR  78           HE2      TYR  78  13.834  -8.013  -0.893
  597    HH   TYR  78           HH       TYR  78  11.023  -9.119  -1.932
  598    H    GLY  79           H        GLY  79  10.819  -1.429   2.805
  599   1HA   GLY  79          2HA       GLY  79  13.018   0.266   3.467
  600   2HA   GLY  79          1HA       GLY  79  11.308   0.670   3.620
  601    H    ILE  80           H        ILE  80  12.280   2.795   2.881
  602    HA   ILE  80           HA       ILE  80  11.485   3.332   0.255
  603    HB   ILE  80           HB       ILE  80  13.418   5.002   1.860
  604   1HG1  ILE  80          1HG1      ILE  80  10.458   5.447   1.885
  605   2HG1  ILE  80          2HG1      ILE  80  11.145   4.222   2.945
  606   1HG2  ILE  80          1HG2      ILE  80  12.716   5.382  -0.678
  607   2HG2  ILE  80          3HG2      ILE  80  11.339   6.164   0.100
  608   3HG2  ILE  80          2HG2      ILE  80  12.977   6.720   0.442
  609   1HD1  ILE  80          2HD1      ILE  80  12.767   6.224   3.567
  610   2HD1  ILE  80          1HD1      ILE  80  11.366   7.165   3.052
  611   3HD1  ILE  80          3HD1      ILE  80  11.206   5.986   4.353
  612    H    ARG  81           H        ARG  81  12.424   2.615  -1.537
  613    HA   ARG  81           HA       ARG  81  15.290   2.095  -1.585
  614   1HB   ARG  81          2HB       ARG  81  13.037   1.455  -3.483
  615   2HB   ARG  81          1HB       ARG  81  14.724   1.194  -3.909
  616   1HG   ARG  81          2HG       ARG  81  13.718   0.043  -1.360
  617   2HG   ARG  81          1HG       ARG  81  13.250  -0.723  -2.880
  618   1HD   ARG  81          2HD       ARG  81  15.243  -1.782  -2.036
  619   2HD   ARG  81          1HD       ARG  81  15.636  -0.877  -3.496
  620    HE   ARG  81           HE       ARG  81  16.624   0.821  -2.070
  621   1HH1  ARG  81          2HH1      ARG  81  15.940  -2.265  -0.611
  622   2HH1  ARG  81          1HH1      ARG  81  17.088  -2.061   0.670
  623   1HH2  ARG  81          1HH2      ARG  81  18.139   1.102  -0.388
  624   2HH2  ARG  81          2HH2      ARG  81  18.338  -0.145   0.798
  625    H    LEU  82           H        LEU  82  14.001   4.841  -1.635
  626    HA   LEU  82           HA       LEU  82  14.265   6.850  -2.677
  627   1HB   LEU  82          2HB       LEU  82  16.711   5.743  -2.351
  628   2HB   LEU  82          1HB       LEU  82  16.708   5.977  -4.086
  629    HG   LEU  82           HG       LEU  82  17.754   7.841  -2.813
  630   1HD1  LEU  82          3HD1      LEU  82  15.351   8.331  -4.539
  631   2HD1  LEU  82          2HD1      LEU  82  16.349   9.656  -3.940
  632   3HD1  LEU  82          1HD1      LEU  82  17.059   8.412  -4.970
  633   1HD2  LEU  82          3HD2      LEU  82  15.696   7.560  -1.076
  634   2HD2  LEU  82          2HD2      LEU  82  16.708   8.999  -1.198
  635   3HD2  LEU  82          1HD2      LEU  82  15.151   8.944  -2.024
  636    H    ASN  83           H        ASN  83  12.477   5.408  -4.033
  637    HA   ASN  83           HA       ASN  83  12.902   6.295  -6.761
  638   1HB   ASN  83          2HB       ASN  83  13.548   3.705  -6.230
  639   2HB   ASN  83          1HB       ASN  83  11.845   3.542  -6.650
  640   1HD2  ASN  83          1HD2      ASN  83  14.726   5.272  -7.796
  641   2HD2  ASN  83          2HD2      ASN  83  14.452   4.962  -9.473
  642    H    ARG  84           H        ARG  84  11.239   7.688  -5.548
  643    HA   ARG  84           HA       ARG  84   8.658   6.665  -5.033
  644   1HB   ARG  84          2HB       ARG  84   9.628   9.466  -5.608
  645   2HB   ARG  84          1HB       ARG  84   7.984   9.082  -5.125
  646   1HG   ARG  84          2HG       ARG  84   8.839   8.124  -3.031
  647   2HG   ARG  84          1HG       ARG  84  10.473   8.583  -3.511
  648   1HD   ARG  84          2HD       ARG  84   8.388  10.693  -3.526
  649   2HD   ARG  84          1HD       ARG  84   8.958  10.120  -1.959
  650    HE   ARG  84           HE       ARG  84  11.052  11.032  -2.402
  651   1HH1  ARG  84          1HH1      ARG  84   8.923  11.372  -5.139
  652   2HH1  ARG  84          2HH1      ARG  84   9.930  12.531  -5.941
  653   1HH2  ARG  84          2HH2      ARG  84  12.383  12.558  -3.452
  654   2HH2  ARG  84          1HH2      ARG  84  11.896  13.204  -4.983
  655    H    SER  85           H        SER  85  10.254   6.925  -7.905
  656    HA   SER  85           HA       SER  85   7.874   7.582  -9.477
  657   1HB   SER  85          2HB       SER  85  10.807   7.494 -10.051
  658   2HB   SER  85          1HB       SER  85   9.679   7.258 -11.385
  659    HG   SER  85           HG       SER  85  10.415   9.536 -10.247
  660    H    GLU  86           H        GLU  86   8.507   5.009  -7.949
  661    HA   GLU  86           HA       GLU  86   8.811   2.987  -9.952
  662   1HB   GLU  86          2HB       GLU  86   8.224   3.025  -7.022
  663   2HB   GLU  86          1HB       GLU  86   7.889   1.557  -7.929
  664   1HG   GLU  86          2HG       GLU  86  10.540   2.758  -8.369
  665   2HG   GLU  86          1HG       GLU  86  10.244   2.099  -6.761
  666    H    ARG  87           H        ARG  87   6.948   1.095  -9.461
  667    HA   ARG  87           HA       ARG  87   4.335   2.349  -9.873
  668   1HB   ARG  87          2HB       ARG  87   3.945   0.601 -11.702
  669   2HB   ARG  87          1HB       ARG  87   4.919   2.008 -12.108
  670   1HG   ARG  87          2HG       ARG  87   6.893   0.422 -11.389
  671   2HG   ARG  87          1HG       ARG  87   5.721  -0.832 -11.798
  672   1HD   ARG  87          2HD       ARG  87   5.898   1.313 -13.776
  673   2HD   ARG  87          1HD       ARG  87   7.400   0.412 -13.566
  674    HE   ARG  87           HE       ARG  87   5.939  -1.624 -13.943
  675   1HH1  ARG  87          1HH1      ARG  87   5.239   1.498 -15.316
  676   2HH1  ARG  87          2HH1      ARG  87   4.385   0.853 -16.677
  677   1HH2  ARG  87          2HH2      ARG  87   4.817  -2.486 -15.732
  678   2HH2  ARG  87          1HH2      ARG  87   4.144  -1.414 -16.914
  679    H    TRP  88           H        TRP  88   3.052   1.544  -8.388
  680    HA   TRP  88           HA       TRP  88   2.824  -1.328  -8.035
  681   1HB   TRP  88          2HB       TRP  88   3.218   0.361  -5.570
  682   2HB   TRP  88          1HB       TRP  88   3.240  -1.393  -5.708
  683    HD1  TRP  88           HD1      TRP  88   5.491   1.563  -5.650
  684    HE1  TRP  88           HE1      TRP  88   7.916   0.839  -6.124
  685    HE3  TRP  88           HE3      TRP  88   4.614  -3.209  -7.265
  686    HZ2  TRP  88           HZ2      TRP  88   9.277  -1.453  -7.057
  687    HZ3  TRP  88           HZ3      TRP  88   6.531  -4.601  -7.927
  688    HH2  TRP  88           HH2      TRP  88   8.814  -3.740  -7.825
  689    H    ASP  89           H        ASP  89   1.532  -0.394  -5.333
  690    HA   ASP  89           HA       ASP  89  -0.993   0.547  -6.524
  691   1HB   ASP  89          2HB       ASP  89  -0.933  -1.150  -4.049
  692   2HB   ASP  89          1HB       ASP  89  -2.243  -0.915  -5.203
  693    H    ALA  90           H        ALA  90  -2.451   1.076  -4.324
  694    HA   ALA  90           HA       ALA  90  -0.843   2.748  -2.551
  695   1HB   ALA  90          2HB       ALA  90  -1.460   4.164  -4.483
  696   2HB   ALA  90          3HB       ALA  90  -2.143   4.735  -2.961
  697   3HB   ALA  90          1HB       ALA  90  -3.161   3.875  -4.117
  698    H    TYR  91           H        TYR  91  -1.671   2.910  -0.518
  699    HA   TYR  91           HA       TYR  91  -4.200   1.509  -0.019
  700   1HB   TYR  91          2HB       TYR  91  -1.745   2.032   1.623
  701   2HB   TYR  91          1HB       TYR  91  -3.275   1.709   2.426
  702    HD1  TYR  91           HD1      TYR  91  -4.535  -0.463   1.591
  703    HD2  TYR  91           HD2      TYR  91  -0.370   0.256   1.094
  704    HE1  TYR  91           HE1      TYR  91  -4.157  -2.876   1.331
  705    HE2  TYR  91           HE2      TYR  91   0.018  -2.158   0.833
  706    HH   TYR  91           HH       TYR  91  -1.928  -4.256  -0.003
  707    H    CYS  92           H        CYS  92  -5.872   2.890  -0.026
  708    HA   CYS  92           HA       CYS  92  -5.531   5.629   0.838
  709   1HB   CYS  92          2HB       CYS  92  -7.761   4.067  -0.419
  710   2HB   CYS  92          1HB       CYS  92  -8.072   5.646   0.290
  711    H    TYR  93           H        TYR  93  -6.178   6.499   2.710
  712    HA   TYR  93           HA       TYR  93  -7.811   4.884   4.539
  713   1HB   TYR  93          2HB       TYR  93  -5.506   4.635   5.256
  714   2HB   TYR  93          1HB       TYR  93  -5.271   6.373   5.218
  715    HD1  TYR  93           HD1      TYR  93  -7.212   7.646   6.699
  716    HD2  TYR  93           HD2      TYR  93  -5.690   3.727   7.358
  717    HE1  TYR  93           HE1      TYR  93  -7.892   7.787   9.058
  718    HE2  TYR  93           HE2      TYR  93  -6.366   3.857   9.719
  719    HH   TYR  93           HH       TYR  93  -6.907   6.422  11.341
  720    H    ASN  94           H        ASN  94  -9.524   5.971   5.248
  721    HA   ASN  94           HA       ASN  94  -9.359   8.893   5.487
  722   1HB   ASN  94          2HB       ASN  94 -11.696   7.398   4.282
  723   2HB   ASN  94          1HB       ASN  94 -11.579   9.140   4.506
  724   1HD2  ASN  94          2HD2      ASN  94 -11.101  10.207   2.744
  725   2HD2  ASN  94          1HD2      ASN  94 -10.154   9.631   1.420
  726    HA   PRO  95           HA       PRO  95 -11.001   8.534   9.553
  727   1HB   PRO  95          2HB       PRO  95 -13.006  10.561   8.657
  728   2HB   PRO  95          1HB       PRO  95 -11.975  10.557  10.094
  729   1HG   PRO  95          2HG       PRO  95 -11.386  12.091   7.993
  730   2HG   PRO  95          1HG       PRO  95 -10.112  11.279   8.921
  731   1HD   PRO  95          1HD       PRO  95 -11.197  10.635   6.229
  732   2HD   PRO  95          2HD       PRO  95  -9.562  10.400   6.875
  733    H    HIS  96           H        HIS  96 -13.226   8.583   6.825
  734    HA   HIS  96           HA       HIS  96 -14.948   6.675   8.263
  735   1HB   HIS  96          2HB       HIS  96 -15.724   8.901   6.375
  736   2HB   HIS  96          1HB       HIS  96 -16.816   7.585   6.795
  737    HD1  HIS  96           HD1      HIS  96 -18.322   8.107   8.676
  738    HD2  HIS  96           HD2      HIS  96 -14.775  10.259   8.903
  739    HE1  HIS  96           HE1      HIS  96 -18.562   9.586  10.696
  740    HE2  HIS  96           HE2      HIS  96 -16.371  10.818  10.860
  741    H    ALA  97           H        ALA  97 -13.411   7.621   5.277
  742    HA   ALA  97           HA       ALA  97 -13.405   6.611   3.184
  743   1HB   ALA  97          3HB       ALA  97 -11.456   5.655   3.841
  744   2HB   ALA  97          1HB       ALA  97 -12.403   4.180   3.645
  745   3HB   ALA  97          2HB       ALA  97 -12.183   4.878   5.248
  746    H    LYS  98           H        LYS  98 -15.836   6.624   3.105
  747    HA   LYS  98           HA       LYS  98 -16.873   3.865   3.078
  748   1HB   LYS  98          2HB       LYS  98 -17.872   5.821   4.607
  749   2HB   LYS  98          1HB       LYS  98 -18.759   6.164   3.127
  750   1HG   LYS  98          2HG       LYS  98 -19.662   3.918   3.109
  751   2HG   LYS  98          1HG       LYS  98 -18.715   3.505   4.539
  752   1HD   LYS  98          2HD       LYS  98 -19.932   5.130   5.860
  753   2HD   LYS  98          1HD       LYS  98 -20.822   5.660   4.431
  754   1HE   LYS  98          2HE       LYS  98 -22.369   4.135   4.894
  755   2HE   LYS  98          1HE       LYS  98 -21.171   2.883   4.566
  756   1HZ   LYS  98          3HZ       LYS  98 -20.968   4.056   7.192
  757   2HZ   LYS  98          2HZ       LYS  98 -22.421   3.234   6.920
  758   3HZ   LYS  98          1HZ       LYS  98 -20.947   2.429   6.728

  No H/Q in entry =         758
  Start of MODEL   20
    1    H1   GLY   1          3H        GLY   1 -12.603   3.729   5.918
    2    H2   GLY   1          2H        GLY   1 -12.753   2.317   6.837
    3    H3   GLY   1          1H        GLY   1 -13.156   3.813   7.516
    4   1HA   GLY   1          2HA       GLY   1 -10.905   2.755   8.116
    5   2HA   GLY   1          1HA       GLY   1 -10.986   4.475   7.770
    6    H    VAL   2           H        VAL   2  -8.941   2.169   7.411
    7    HA   VAL   2           HA       VAL   2  -7.884   3.204   4.918
    8    HB   VAL   2           HB       VAL   2  -6.216   3.010   6.540
    9   1HG1  VAL   2          2HG1      VAL   2  -7.817   0.838   7.492
   10   2HG1  VAL   2          1HG1      VAL   2  -6.137   0.320   7.356
   11   3HG1  VAL   2          3HG1      VAL   2  -6.547   1.735   8.325
   12   1HG2  VAL   2          1HG2      VAL   2  -5.951   1.652   4.221
   13   2HG2  VAL   2          3HG2      VAL   2  -4.651   1.867   5.394
   14   3HG2  VAL   2          2HG2      VAL   2  -5.592   0.377   5.385
   15    H    TYR   3           H        TYR   3  -7.747   2.143   3.018
   16    HA   TYR   3           HA       TYR   3  -8.370  -0.712   2.927
   17   1HB   TYR   3          2HB       TYR   3  -9.870  -0.239   0.915
   18   2HB   TYR   3          1HB       TYR   3 -10.525   0.143   2.502
   19    HD1  TYR   3           HD1      TYR   3 -10.704   2.503   3.233
   20    HD2  TYR   3           HD2      TYR   3  -9.468   1.472  -0.705
   21    HE1  TYR   3           HE1      TYR   3 -11.160   4.802   2.494
   22    HE2  TYR   3           HE2      TYR   3  -9.920   3.770  -1.455
   23    HH   TYR   3           HH       TYR   3 -10.382   6.331   0.645
   24    H    HIS   4           H        HIS   4  -8.060  -1.566   0.644
   25    HA   HIS   4           HA       HIS   4  -5.557  -0.458  -0.383
   26   1HB   HIS   4          2HB       HIS   4  -5.345  -2.765   0.093
   27   2HB   HIS   4          1HB       HIS   4  -6.893  -3.144  -0.657
   28    HD1  HIS   4           HD1      HIS   4  -6.546  -4.381  -2.755
   29    HD2  HIS   4           HD2      HIS   4  -3.583  -1.531  -2.148
   30    HE1  HIS   4           HE1      HIS   4  -5.036  -4.543  -4.760
   31    HE2  HIS   4           HE2      HIS   4  -3.307  -2.743  -4.416
   32    H    ARG   5           H        ARG   5  -5.245   0.062  -2.544
   33    HA   ARG   5           HA       ARG   5  -7.454  -0.147  -4.409
   34   1HB   ARG   5          2HB       ARG   5  -7.610   2.019  -2.950
   35   2HB   ARG   5          1HB       ARG   5  -6.317   2.591  -3.993
   36   1HG   ARG   5          2HG       ARG   5  -8.209   3.389  -5.045
   37   2HG   ARG   5          1HG       ARG   5  -7.886   1.894  -5.925
   38   1HD   ARG   5          2HD       ARG   5  -9.914   1.159  -5.413
   39   2HD   ARG   5          1HD       ARG   5  -9.507   1.239  -3.701
   40    HE   ARG   5           HE       ARG   5 -10.386   3.498  -3.683
   41   1HH1  ARG   5          1HH1      ARG   5 -11.146   1.537  -6.460
   42   2HH1  ARG   5          2HH1      ARG   5 -12.545   2.463  -6.893
   43   1HH2  ARG   5          2HH2      ARG   5 -12.227   4.723  -4.246
   44   2HH2  ARG   5          1HH2      ARG   5 -13.159   4.274  -5.635
   45    H    GLU   6           H        GLU   6  -6.836   0.743  -6.581
   46    HA   GLU   6           HA       GLU   6  -3.932   0.513  -7.024
   47   1HB   GLU   6          2HB       GLU   6  -4.351  -0.662  -9.097
   48   2HB   GLU   6          1HB       GLU   6  -5.151  -1.509  -7.781
   49   1HG   GLU   6          2HG       GLU   6  -6.545   0.418  -9.619
   50   2HG   GLU   6          1HG       GLU   6  -6.476  -1.323  -9.886
   51    H    ALA   7           H        ALA   7  -3.789   1.119  -9.664
   52    HA   ALA   7           HA       ALA   7  -4.371   3.960  -9.633
   53   1HB   ALA   7          2HB       ALA   7  -2.565   4.156 -10.923
   54   2HB   ALA   7          1HB       ALA   7  -2.293   2.435 -10.641
   55   3HB   ALA   7          3HB       ALA   7  -3.169   2.966 -12.077
   56    H    ARG   8           H        ARG   8  -5.509   5.068 -11.267
   57    HA   ARG   8           HA       ARG   8  -7.906   3.869 -12.093
   58   1HB   ARG   8          2HB       ARG   8  -6.526   6.447 -12.623
   59   2HB   ARG   8          1HB       ARG   8  -7.801   5.981 -13.739
   60   1HG   ARG   8          2HG       ARG   8  -9.147   7.015 -12.290
   61   2HG   ARG   8          1HG       ARG   8  -9.005   5.528 -11.350
   62   1HD   ARG   8          2HD       ARG   8  -7.219   6.478 -10.036
   63   2HD   ARG   8          1HD       ARG   8  -7.210   7.930 -11.036
   64    HE   ARG   8           HE       ARG   8  -8.984   8.720  -9.833
   65   1HH1  ARG   8          2HH1      ARG   8  -8.691   5.292  -9.293
   66   2HH1  ARG   8          1HH1      ARG   8  -9.907   5.252  -8.060
   67   1HH2  ARG   8          1HH2      ARG   8 -10.588   8.677  -8.211
   68   2HH2  ARG   8          2HH2      ARG   8 -10.985   7.175  -7.445
   69    H    SER   9           H        SER   9  -4.780   3.819 -13.476
   70    HA   SER   9           HA       SER   9  -5.795   3.055 -16.111
   71   1HB   SER   9          2HB       SER   9  -3.316   4.225 -15.106
   72   2HB   SER   9          1HB       SER   9  -3.032   2.891 -16.224
   73    HG   SER   9           HG       SER   9  -4.355   5.333 -16.662
   74    H    GLY  10           H        GLY  10  -4.358   1.719 -13.250
   75   1HA   GLY  10          2HA       GLY  10  -3.693  -0.795 -14.560
   76   2HA   GLY  10          1HA       GLY  10  -5.064  -0.842 -13.459
   77    H    LYS  11           H        LYS  11  -3.590  -2.472 -12.445
   78    HA   LYS  11           HA       LYS  11  -2.492  -1.438 -10.077
   79   1HB   LYS  11          2HB       LYS  11  -3.332  -3.687 -10.112
   80   2HB   LYS  11          1HB       LYS  11  -2.215  -4.143 -11.391
   81   1HG   LYS  11          2HG       LYS  11  -0.401  -4.224  -9.963
   82   2HG   LYS  11          1HG       LYS  11  -1.166  -3.174  -8.766
   83   1HD   LYS  11          2HD       LYS  11  -1.997  -4.926  -7.679
   84   2HD   LYS  11          1HD       LYS  11  -2.741  -5.545  -9.155
   85   1HE   LYS  11          2HE       LYS  11  -0.411  -6.410  -9.752
   86   2HE   LYS  11          1HE       LYS  11   0.003  -6.096  -8.068
   87   1HZ   LYS  11          3HZ       LYS  11  -1.970  -7.523  -7.493
   88   2HZ   LYS  11          2HZ       LYS  11  -2.018  -7.988  -9.118
   89   3HZ   LYS  11          1HZ       LYS  11  -0.654  -8.334  -8.180
   90    H    TYR  12           H        TYR  12  -0.306  -1.469  -9.327
   91    HA   TYR  12           HA       TYR  12   1.884  -0.871  -9.481
   92   1HB   TYR  12          2HB       TYR  12   1.670  -2.816 -11.778
   93   2HB   TYR  12          1HB       TYR  12   3.198  -2.087 -11.295
   94    HD1  TYR  12           HD1      TYR  12   1.221  -2.494  -8.427
   95    HD2  TYR  12           HD2      TYR  12   3.636  -4.695 -11.153
   96    HE1  TYR  12           HE1      TYR  12   1.522  -4.246  -6.733
   97    HE2  TYR  12           HE2      TYR  12   3.943  -6.456  -9.465
   98    HH   TYR  12           HH       TYR  12   2.428  -7.224  -7.308
   99    H    LYS  13           H        LYS  13   0.346   1.106 -10.356
  100    HA   LYS  13           HA       LYS  13   1.915   2.247 -12.540
  101   1HB   LYS  13          2HB       LYS  13  -0.960   1.617 -12.586
  102   2HB   LYS  13          1HB       LYS  13  -0.562   3.254 -13.084
  103   1HG   LYS  13          2HG       LYS  13   1.250   1.914 -14.526
  104   2HG   LYS  13          1HG       LYS  13   0.000   0.674 -14.403
  105   1HD   LYS  13          2HD       LYS  13  -1.439   2.938 -15.007
  106   2HD   LYS  13          1HD       LYS  13   0.039   3.146 -15.950
  107   1HE   LYS  13          2HE       LYS  13  -0.443   0.590 -16.518
  108   2HE   LYS  13          1HE       LYS  13  -2.096   1.102 -16.181
  109   1HZ   LYS  13          1HZ       LYS  13  -0.273   2.406 -18.131
  110   2HZ   LYS  13          3HZ       LYS  13  -1.511   1.324 -18.531
  111   3HZ   LYS  13          2HZ       LYS  13  -1.887   2.822 -17.841
  112    H    LEU  14           H        LEU  14   0.920   2.459  -9.474
  113    HA   LEU  14           HA       LEU  14   0.588   5.382  -9.472
  114   1HB   LEU  14          2HB       LEU  14  -0.258   3.187  -7.646
  115   2HB   LEU  14          1HB       LEU  14   0.055   4.765  -6.954
  116    HG   LEU  14           HG       LEU  14  -1.808   4.472  -9.285
  117   1HD1  LEU  14          1HD1      LEU  14  -2.322   2.932  -7.237
  118   2HD1  LEU  14          3HD1      LEU  14  -2.839   4.444  -6.488
  119   3HD1  LEU  14          2HD1      LEU  14  -3.605   3.891  -7.977
  120   1HD2  LEU  14          3HD2      LEU  14  -0.819   6.648  -7.959
  121   2HD2  LEU  14          2HD2      LEU  14  -2.312   6.615  -8.898
  122   3HD2  LEU  14          1HD2      LEU  14  -2.364   6.384  -7.150
  123    H    THR  15           H        THR  15   1.931   6.700  -8.355
  124    HA   THR  15           HA       THR  15   4.371   5.464  -7.258
  125    HB   THR  15           HB       THR  15   5.546   7.525  -7.758
  126    HG1  THR  15           HG1      THR  15   3.686   8.924  -7.458
  127   1HG2  THR  15          3HG2      THR  15   3.952   6.330 -10.004
  128   2HG2  THR  15          2HG2      THR  15   5.129   7.610 -10.297
  129   3HG2  THR  15          1HG2      THR  15   5.649   6.078  -9.594
  130    H    TYR  16           H        TYR  16   5.224   6.298  -5.298
  131    HA   TYR  16           HA       TYR  16   3.638   6.656  -3.184
  132   1HB   TYR  16          2HB       TYR  16   6.028   6.553  -2.899
  133   2HB   TYR  16          1HB       TYR  16   6.238   8.110  -3.692
  134    HD1  TYR  16           HD1      TYR  16   4.670   6.531  -0.703
  135    HD2  TYR  16           HD2      TYR  16   6.299  10.064  -2.430
  136    HE1  TYR  16           HE1      TYR  16   4.519   7.661   1.476
  137    HE2  TYR  16           HE2      TYR  16   6.153  11.202  -0.254
  138    HH   TYR  16           HH       TYR  16   5.019  11.058   1.827
  139    H    ALA  17           H        ALA  17   4.554   9.236  -5.416
  140    HA   ALA  17           HA       ALA  17   3.210  11.298  -3.973
  141   1HB   ALA  17          1HB       ALA  17   4.103  11.270  -6.853
  142   2HB   ALA  17          3HB       ALA  17   3.668  12.692  -5.905
  143   3HB   ALA  17          2HB       ALA  17   5.097  11.751  -5.478
  144    H    GLU  18           H        GLU  18   2.373   9.316  -6.812
  145    HA   GLU  18           HA       GLU  18  -0.100  10.611  -7.315
  146   1HB   GLU  18          2HB       GLU  18   0.922   7.866  -8.062
  147   2HB   GLU  18          1HB       GLU  18  -0.575   8.557  -8.664
  148   1HG   GLU  18          2HG       GLU  18   0.674  10.376  -9.703
  149   2HG   GLU  18          1HG       GLU  18   2.178   9.689  -9.093
  150    H    ALA  19           H        ALA  19   0.846   7.713  -5.559
  151    HA   ALA  19           HA       ALA  19  -1.659   6.745  -4.849
  152   1HB   ALA  19          1HB       ALA  19  -0.168   5.196  -4.216
  153   2HB   ALA  19          2HB       ALA  19  -0.098   6.096  -2.702
  154   3HB   ALA  19          3HB       ALA  19   1.103   6.392  -3.960
  155    H    LYS  20           H        LYS  20   0.374   9.197  -3.330
  156    HA   LYS  20           HA       LYS  20  -1.327   9.552  -1.054
  157   1HB   LYS  20          2HB       LYS  20   1.209  10.076  -1.332
  158   2HB   LYS  20          1HB       LYS  20   0.649  11.590  -2.025
  159   1HG   LYS  20          2HG       LYS  20  -0.477  12.174   0.015
  160   2HG   LYS  20          1HG       LYS  20  -0.112  10.594   0.712
  161   1HD   LYS  20          2HD       LYS  20   2.349  11.652  -0.118
  162   2HD   LYS  20          1HD       LYS  20   1.491  12.981   0.665
  163   1HE   LYS  20          2HE       LYS  20   1.672  10.266   1.929
  164   2HE   LYS  20          1HE       LYS  20   2.954  11.460   2.125
  165   1HZ   LYS  20          3HZ       LYS  20   0.236  12.360   2.660
  166   2HZ   LYS  20          2HZ       LYS  20   0.905  11.280   3.777
  167   3HZ   LYS  20          1HZ       LYS  20   1.681  12.748   3.451
  168    H    ALA  21           H        ALA  21  -0.912  11.168  -4.161
  169    HA   ALA  21           HA       ALA  21  -2.443  13.442  -3.701
  170   1HB   ALA  21          2HB       ALA  21  -2.849  13.425  -6.172
  171   2HB   ALA  21          1HB       ALA  21  -1.156  13.293  -5.697
  172   3HB   ALA  21          3HB       ALA  21  -2.037  11.860  -6.228
  173    H    VAL  22           H        VAL  22  -3.486  10.297  -4.969
  174    HA   VAL  22           HA       VAL  22  -6.228  10.992  -5.150
  175    HB   VAL  22           HB       VAL  22  -4.736   8.393  -5.216
  176   1HG1  VAL  22          1HG1      VAL  22  -7.729   8.734  -5.141
  177   2HG1  VAL  22          3HG1      VAL  22  -6.913   7.268  -5.686
  178   3HG1  VAL  22          2HG1      VAL  22  -6.726   7.815  -4.019
  179   1HG2  VAL  22          1HG2      VAL  22  -6.493   9.834  -7.201
  180   2HG2  VAL  22          3HG2      VAL  22  -4.731   9.757  -7.223
  181   3HG2  VAL  22          2HG2      VAL  22  -5.681   8.294  -7.483
  182    H    CYS  23           H        CYS  23  -4.473   8.959  -2.823
  183    HA   CYS  23           HA       CYS  23  -6.658   8.503  -1.122
  184   1HB   CYS  23          2HB       CYS  23  -3.682   8.409  -0.628
  185   2HB   CYS  23          1HB       CYS  23  -4.878   7.892   0.553
  186    H    GLU  24           H        GLU  24  -4.469  11.182  -1.412
  187    HA   GLU  24           HA       GLU  24  -5.516  12.357   1.070
  188   1HB   GLU  24          2HB       GLU  24  -3.057  12.281   0.838
  189   2HB   GLU  24          1HB       GLU  24  -3.174  13.237  -0.633
  190   1HG   GLU  24          2HG       GLU  24  -3.754  15.163   0.506
  191   2HG   GLU  24          1HG       GLU  24  -4.298  14.278   1.930
  192    H    PHE  25           H        PHE  25  -6.292  12.218  -2.047
  193    HA   PHE  25           HA       PHE  25  -6.657  14.881  -2.861
  194   1HB   PHE  25          2HB       PHE  25  -6.923  12.482  -4.061
  195   2HB   PHE  25          1HB       PHE  25  -8.616  12.854  -3.768
  196    HD1  PHE  25           HD1      PHE  25  -5.520  14.226  -5.277
  197    HD2  PHE  25           HD2      PHE  25  -9.774  14.269  -5.200
  198    HE1  PHE  25           HE1      PHE  25  -5.533  15.659  -7.276
  199    HE2  PHE  25           HE2      PHE  25  -9.798  15.705  -7.201
  200    HZ   PHE  25           HZ       PHE  25  -7.676  16.401  -8.242
  201    H    GLU  26           H        GLU  26  -8.791  12.625  -1.171
  202    HA   GLU  26           HA       GLU  26 -10.768  14.758  -0.833
  203   1HB   GLU  26          2HB       GLU  26 -11.053  11.837  -0.142
  204   2HB   GLU  26          1HB       GLU  26 -12.336  13.036  -0.248
  205   1HG   GLU  26          2HG       GLU  26 -11.937  13.262  -2.637
  206   2HG   GLU  26          1HG       GLU  26 -10.638  12.076  -2.539
  207    H    GLY  27           H        GLY  27  -8.897  15.565   0.648
  208   1HA   GLY  27          1HA       GLY  27  -9.828  15.686   3.239
  209   2HA   GLY  27          2HA       GLY  27  -8.179  16.069   2.770
  210    H    GLY  28           H        GLY  28  -7.996  13.166   1.785
  211   1HA   GLY  28          2HA       GLY  28  -7.998  11.021   2.963
  212   2HA   GLY  28          1HA       GLY  28  -7.665  11.910   4.444
  213    H    HIS  29           H        HIS  29  -6.106   9.765   3.543
  214    HA   HIS  29           HA       HIS  29  -3.755  10.868   2.275
  215   1HB   HIS  29          2HB       HIS  29  -2.257  10.749   4.037
  216   2HB   HIS  29          1HB       HIS  29  -3.694  11.367   4.832
  217    HD1  HIS  29           HD1      HIS  29  -1.494   8.373   4.635
  218    HD2  HIS  29           HD2      HIS  29  -4.914   9.595   6.664
  219    HE1  HIS  29           HE1      HIS  29  -1.821   6.695   6.478
  220    HE2  HIS  29           HE2      HIS  29  -3.856   7.491   7.730
  221    H    LEU  30           H        LEU  30  -1.921   9.058   2.623
  222    HA   LEU  30           HA       LEU  30  -3.205   6.600   1.685
  223   1HB   LEU  30          2HB       LEU  30  -1.673   6.557   0.109
  224   2HB   LEU  30          1HB       LEU  30  -1.069   8.097   0.679
  225    HG   LEU  30           HG       LEU  30   0.189   6.350   2.368
  226   1HD1  LEU  30          2HD1      LEU  30  -0.752   4.814   0.152
  227   2HD1  LEU  30          1HD1      LEU  30   1.009   4.902   0.100
  228   3HD1  LEU  30          3HD1      LEU  30   0.200   4.294   1.544
  229   1HD2  LEU  30          2HD2      LEU  30   0.883   7.877  -0.050
  230   2HD2  LEU  30          1HD2      LEU  30   1.630   7.875   1.548
  231   3HD2  LEU  30          3HD2      LEU  30   2.019   6.601   0.391
  232    H    ALA  31           H        ALA  31  -3.237   4.886   2.892
  233    HA   ALA  31           HA       ALA  31  -2.537   4.721   5.506
  234   1HB   ALA  31          1HB       ALA  31  -3.292   2.833   3.456
  235   2HB   ALA  31          3HB       ALA  31  -2.194   2.109   4.632
  236   3HB   ALA  31          2HB       ALA  31  -3.696   2.859   5.174
  237    H    THR  32           H        THR  32  -0.864   3.649   6.684
  238    HA   THR  32           HA       THR  32   1.752   3.810   5.341
  239    HB   THR  32           HB       THR  32   2.753   4.355   7.392
  240    HG1  THR  32           HG1      THR  32   1.827   2.846   8.762
  241   1HG2  THR  32          3HG2      THR  32   1.030   6.045   6.391
  242   2HG2  THR  32          2HG2      THR  32   0.125   5.696   7.862
  243   3HG2  THR  32          1HG2      THR  32   1.756   6.356   7.966
  244    H    TYR  33           H        TYR  33   3.160   2.481   7.406
  245    HA   TYR  33           HA       TYR  33   2.684  -0.258   6.621
  246   1HB   TYR  33          2HB       TYR  33   4.976   0.367   6.751
  247   2HB   TYR  33          1HB       TYR  33   4.768   1.071   8.348
  248    HD1  TYR  33           HD1      TYR  33   4.307  -2.237   6.662
  249    HD2  TYR  33           HD2      TYR  33   5.573  -0.132  10.136
  250    HE1  TYR  33           HE1      TYR  33   4.993  -4.359   7.687
  251    HE2  TYR  33           HE2      TYR  33   6.267  -2.251  11.172
  252    HH   TYR  33           HH       TYR  33   5.872  -5.346   9.470
  253    H    LYS  34           H        LYS  34   3.363   1.078   9.825
  254    HA   LYS  34           HA       LYS  34   2.311  -0.899  11.370
  255   1HB   LYS  34          2HB       LYS  34   2.260   2.081  11.853
  256   2HB   LYS  34          1HB       LYS  34   1.832   0.898  13.078
  257   1HG   LYS  34          2HG       LYS  34   4.148  -0.098  12.680
  258   2HG   LYS  34          1HG       LYS  34   4.505   1.404  11.823
  259   1HD   LYS  34          2HD       LYS  34   3.240   1.834  14.416
  260   2HD   LYS  34          1HD       LYS  34   4.784   0.986  14.528
  261   1HE   LYS  34          2HE       LYS  34   5.961   2.745  13.562
  262   2HE   LYS  34          1HE       LYS  34   4.510   3.449  12.847
  263   1HZ   LYS  34          3HZ       LYS  34   3.842   3.708  15.345
  264   2HZ   LYS  34          2HZ       LYS  34   5.515   3.652  15.593
  265   3HZ   LYS  34          1HZ       LYS  34   4.848   4.846  14.598
  266    H    GLN  35           H        GLN  35   0.566   1.686   9.729
  267    HA   GLN  35           HA       GLN  35  -1.951   1.203  10.927
  268   1HB   GLN  35          2HB       GLN  35  -1.187   2.476   8.296
  269   2HB   GLN  35          1HB       GLN  35  -2.825   2.449   8.926
  270   1HG   GLN  35          2HG       GLN  35  -2.055   3.680  10.914
  271   2HG   GLN  35          1HG       GLN  35  -0.441   3.759  10.208
  272   1HE2  GLN  35          1HE2      GLN  35  -1.588   6.065  10.878
  273   2HE2  GLN  35          2HE2      GLN  35  -2.104   6.939   9.479
  274    H    LEU  36           H        LEU  36  -0.616   0.241   7.767
  275    HA   LEU  36           HA       LEU  36  -2.782  -1.322   6.942
  276   1HB   LEU  36          2HB       LEU  36  -0.226  -0.699   5.973
  277   2HB   LEU  36          1HB       LEU  36  -0.257  -2.447   6.090
  278    HG   LEU  36           HG       LEU  36  -0.921  -1.531   3.857
  279   1HD1  LEU  36          3HD1      LEU  36  -2.892  -3.199   5.403
  280   2HD1  LEU  36          2HD1      LEU  36  -2.956  -2.974   3.655
  281   3HD1  LEU  36          1HD1      LEU  36  -1.560  -3.761   4.392
  282   1HD2  LEU  36          3HD2      LEU  36  -2.814  -0.093   5.546
  283   2HD2  LEU  36          2HD2      LEU  36  -2.261   0.255   3.908
  284   3HD2  LEU  36          1HD2      LEU  36  -3.568  -0.899   4.171
  285    H    GLU  37           H        GLU  37  -0.390  -1.849   9.326
  286    HA   GLU  37           HA       GLU  37  -0.494  -4.699   9.401
  287   1HB   GLU  37          2HB       GLU  37   1.389  -3.356  10.315
  288   2HB   GLU  37          1HB       GLU  37   0.318  -2.770  11.579
  289   1HG   GLU  37          2HG       GLU  37  -0.029  -5.350  11.991
  290   2HG   GLU  37          1HG       GLU  37   1.558  -5.439  11.229
  291    H    ALA  38           H        ALA  38  -1.693  -2.263  11.687
  292    HA   ALA  38           HA       ALA  38  -3.278  -3.989  13.190
  293   1HB   ALA  38          2HB       ALA  38  -2.549  -1.556  13.669
  294   2HB   ALA  38          3HB       ALA  38  -4.114  -2.109  14.267
  295   3HB   ALA  38          1HB       ALA  38  -4.027  -1.116  12.812
  296    H    ALA  39           H        ALA  39  -3.727  -2.832  10.045
  297    HA   ALA  39           HA       ALA  39  -6.626  -3.216  10.091
  298   1HB   ALA  39          2HB       ALA  39  -4.854  -2.395   7.790
  299   2HB   ALA  39          3HB       ALA  39  -5.659  -1.271   8.885
  300   3HB   ALA  39          1HB       ALA  39  -6.616  -2.328   7.846
  301    H    ARG  40           H        ARG  40  -3.675  -4.667   9.049
  302    HA   ARG  40           HA       ARG  40  -4.747  -6.613   7.287
  303   1HB   ARG  40          2HB       ARG  40  -2.427  -6.104   7.111
  304   2HB   ARG  40          1HB       ARG  40  -2.172  -6.371   8.831
  305   1HG   ARG  40          2HG       ARG  40  -3.195  -8.774   7.744
  306   2HG   ARG  40          1HG       ARG  40  -1.908  -8.209   6.678
  307   1HD   ARG  40          2HD       ARG  40  -0.541  -9.232   8.130
  308   2HD   ARG  40          1HD       ARG  40  -0.796  -7.799   9.124
  309    HE   ARG  40           HE       ARG  40  -2.837  -9.621   9.687
  310   1HH1  ARG  40          2HH1      ARG  40   0.613  -9.317  10.057
  311   2HH1  ARG  40          1HH1      ARG  40   0.678 -10.304  11.479
  312   1HH2  ARG  40          1HH2      ARG  40  -2.762 -10.923  11.560
  313   2HH2  ARG  40          2HH2      ARG  40  -1.239 -11.216  12.333
  314    H    LYS  41           H        LYS  41  -4.205  -6.385  10.726
  315    HA   LYS  41           HA       LYS  41  -4.528  -9.117  11.336
  316   1HB   LYS  41          2HB       LYS  41  -5.235  -6.862  13.200
  317   2HB   LYS  41          1HB       LYS  41  -4.641  -8.464  13.612
  318   1HG   LYS  41          2HG       LYS  41  -2.520  -7.767  12.324
  319   2HG   LYS  41          1HG       LYS  41  -3.141  -6.125  12.509
  320   1HD   LYS  41          2HD       LYS  41  -2.949  -7.935  14.884
  321   2HD   LYS  41          1HD       LYS  41  -1.515  -7.092  14.294
  322   1HE   LYS  41          2HE       LYS  41  -2.614  -4.956  14.562
  323   2HE   LYS  41          1HE       LYS  41  -4.113  -5.754  15.037
  324   1HZ   LYS  41          3HZ       LYS  41  -1.670  -6.290  16.574
  325   2HZ   LYS  41          2HZ       LYS  41  -2.485  -4.829  16.825
  326   3HZ   LYS  41          1HZ       LYS  41  -3.285  -6.297  17.082
  327    H    ILE  42           H        ILE  42  -6.757  -6.717  10.401
  328    HA   ILE  42           HA       ILE  42  -9.041  -8.074  11.602
  329    HB   ILE  42           HB       ILE  42 -10.348  -6.236  10.934
  330   1HG1  ILE  42          2HG1      ILE  42  -8.364  -4.781   9.347
  331   2HG1  ILE  42          1HG1      ILE  42  -8.842  -6.311   8.624
  332   1HG2  ILE  42          3HG2      ILE  42  -7.580  -5.394  11.737
  333   2HG2  ILE  42          2HG2      ILE  42  -8.885  -4.222  11.546
  334   3HG2  ILE  42          1HG2      ILE  42  -9.031  -5.518  12.733
  335   1HD1  ILE  42          2HD1      ILE  42 -11.096  -4.740   9.593
  336   2HD1  ILE  42          1HD1      ILE  42 -10.153  -3.934   8.338
  337   3HD1  ILE  42          3HD1      ILE  42 -10.843  -5.529   8.035
  338    H    GLY  43           H        GLY  43  -7.301  -7.882   8.645
  339   1HA   GLY  43          1HA       GLY  43  -9.489  -9.167   7.159
  340   2HA   GLY  43          2HA       GLY  43  -7.932  -9.980   7.276
  341    H    PHE  44           H        PHE  44  -6.733  -7.119   7.241
  342    HA   PHE  44           HA       PHE  44  -7.283  -6.154   4.601
  343   1HB   PHE  44          2HB       PHE  44  -6.356  -4.909   6.726
  344   2HB   PHE  44          1HB       PHE  44  -4.802  -5.439   6.101
  345    HD1  PHE  44           HD1      PHE  44  -5.018  -5.152   3.259
  346    HD2  PHE  44           HD2      PHE  44  -6.589  -2.661   6.326
  347    HE1  PHE  44           HE1      PHE  44  -4.981  -3.233   1.709
  348    HE2  PHE  44           HE2      PHE  44  -6.565  -0.742   4.787
  349    HZ   PHE  44           HZ       PHE  44  -5.760  -1.026   2.478
  350    H    HIS  45           H        HIS  45  -6.910  -7.953   3.258
  351    HA   HIS  45           HA       HIS  45  -4.072  -8.684   2.953
  352   1HB   HIS  45          2HB       HIS  45  -5.480 -10.588   3.603
  353   2HB   HIS  45          1HB       HIS  45  -6.529 -10.295   2.222
  354    HD1  HIS  45           HD1      HIS  45  -5.020 -12.987   2.671
  355    HD2  HIS  45           HD2      HIS  45  -3.702  -9.890   0.234
  356    HE1  HIS  45           HE1      HIS  45  -3.468 -14.054   1.005
  357    HE2  HIS  45           HE2      HIS  45  -2.605 -12.146  -0.393
  358    H    VAL  46           H        VAL  46  -3.111  -7.986   1.172
  359    HA   VAL  46           HA       VAL  46  -4.586  -7.831  -1.321
  360    HB   VAL  46           HB       VAL  46  -4.840  -5.625  -1.389
  361   1HG1  VAL  46          1HG1      VAL  46  -3.378  -5.532   1.242
  362   2HG1  VAL  46          3HG1      VAL  46  -4.309  -4.206   0.544
  363   3HG1  VAL  46          2HG1      VAL  46  -5.118  -5.703   1.012
  364   1HG2  VAL  46          1HG2      VAL  46  -1.867  -5.517  -0.965
  365   2HG2  VAL  46          3HG2      VAL  46  -2.750  -5.407  -2.488
  366   3HG2  VAL  46          2HG2      VAL  46  -2.858  -4.099  -1.309
  367    H    CYS  47           H        CYS  47  -3.380  -8.991  -2.644
  368    HA   CYS  47           HA       CYS  47  -0.525  -9.216  -2.284
  369   1HB   CYS  47          2HB       CYS  47  -2.291 -11.021  -3.081
  370   2HB   CYS  47          1HB       CYS  47  -1.924 -10.350  -4.666
  371    H    ALA  48           H        ALA  48  -0.169  -6.889  -2.680
  372    HA   ALA  48           HA       ALA  48   0.924  -6.442  -5.228
  373   1HB   ALA  48          1HB       ALA  48  -1.485  -6.257  -5.833
  374   2HB   ALA  48          2HB       ALA  48  -0.546  -4.802  -6.168
  375   3HB   ALA  48          3HB       ALA  48  -1.600  -4.865  -4.755
  376    H    ALA  49           H        ALA  49   2.570  -5.125  -4.852
  377    HA   ALA  49           HA       ALA  49   3.237  -3.925  -2.516
  378   1HB   ALA  49          1HB       ALA  49   5.047  -3.522  -3.733
  379   2HB   ALA  49          3HB       ALA  49   4.141  -3.768  -5.226
  380   3HB   ALA  49          2HB       ALA  49   4.205  -2.168  -4.487
  381    H    GLY  50           H        GLY  50   2.243  -2.479  -1.290
  382   1HA   GLY  50          2HA       GLY  50   0.256  -1.047  -1.074
  383   2HA   GLY  50          1HA       GLY  50   0.694  -0.348  -2.624
  384    H    TRP  51           H        TRP  51   1.607   1.575  -2.516
  385    HA   TRP  51           HA       TRP  51   3.828   2.287  -1.061
  386   1HB   TRP  51          2HB       TRP  51   1.593   3.892  -2.255
  387   2HB   TRP  51          1HB       TRP  51   2.870   4.692  -1.343
  388    HD1  TRP  51           HD1      TRP  51   2.077   3.401  -4.733
  389    HE1  TRP  51           HE1      TRP  51   4.160   3.545  -6.248
  390    HE3  TRP  51           HE3      TRP  51   5.606   4.388  -1.169
  391    HZ2  TRP  51           HZ2      TRP  51   6.931   4.015  -5.961
  392    HZ3  TRP  51           HZ3      TRP  51   7.946   4.671  -1.868
  393    HH2  TRP  51           HH2      TRP  51   8.593   4.488  -4.216
  394    H    MET  52           H        MET  52   3.973   4.005   0.633
  395    HA   MET  52           HA       MET  52   1.823   4.293   2.499
  396   1HB   MET  52          2HB       MET  52   3.546   3.280   4.321
  397   2HB   MET  52          1HB       MET  52   2.237   2.359   3.596
  398   1HG   MET  52          2HG       MET  52   3.828   1.534   1.888
  399   2HG   MET  52          1HG       MET  52   5.122   2.364   2.749
  400   1HE   MET  52          3HE       MET  52   2.362  -0.049   2.749
  401   2HE   MET  52          2HE       MET  52   2.988  -1.467   3.590
  402   3HE   MET  52          1HE       MET  52   2.146  -0.208   4.493
  403    H    ALA  53           H        ALA  53   2.613   5.490   4.505
  404    HA   ALA  53           HA       ALA  53   3.790   7.869   3.825
  405   1HB   ALA  53          1HB       ALA  53   3.966   8.354   6.151
  406   2HB   ALA  53          2HB       ALA  53   3.995   6.640   6.566
  407   3HB   ALA  53          3HB       ALA  53   2.523   7.367   5.922
  408    H    LYS  54           H        LYS  54   5.840   8.817   4.662
  409    HA   LYS  54           HA       LYS  54   8.105   8.864   4.958
  410   1HB   LYS  54          2HB       LYS  54   7.497   6.051   5.518
  411   2HB   LYS  54          1HB       LYS  54   9.112   6.311   4.875
  412   1HG   LYS  54          2HG       LYS  54   8.276   8.129   7.039
  413   2HG   LYS  54          1HG       LYS  54   8.502   6.439   7.483
  414   1HD   LYS  54          2HD       LYS  54  10.753   6.559   6.355
  415   2HD   LYS  54          1HD       LYS  54  10.511   8.304   6.240
  416   1HE   LYS  54          2HE       LYS  54  11.854   7.546   8.217
  417   2HE   LYS  54          1HE       LYS  54  10.447   8.538   8.603
  418   1HZ   LYS  54          1HZ       LYS  54  10.525   5.572   8.752
  419   2HZ   LYS  54          3HZ       LYS  54  10.676   6.614  10.077
  420   3HZ   LYS  54          2HZ       LYS  54   9.231   6.564   9.201
  421    H    GLY  55           H        GLY  55   6.729   6.696   2.566
  422   1HA   GLY  55          1HA       GLY  55   8.833   7.581   0.692
  423   2HA   GLY  55          2HA       GLY  55   7.176   7.211   0.226
  424    H    ARG  56           H        ARG  56   7.437   4.877   2.236
  425    HA   ARG  56           HA       ARG  56   9.060   3.092   0.558
  426   1HB   ARG  56          2HB       ARG  56   9.218   1.621   2.430
  427   2HB   ARG  56          1HB       ARG  56   9.548   3.242   3.024
  428   1HG   ARG  56          2HG       ARG  56   6.839   3.015   3.379
  429   2HG   ARG  56          1HG       ARG  56   7.421   1.388   3.733
  430   1HD   ARG  56          2HD       ARG  56   8.070   3.970   5.093
  431   2HD   ARG  56          1HD       ARG  56   7.549   2.439   5.795
  432    HE   ARG  56           HE       ARG  56   9.930   1.773   4.799
  433   1HH1  ARG  56          1HH1      ARG  56   8.935   4.521   6.691
  434   2HH1  ARG  56          2HH1      ARG  56  10.474   4.714   7.460
  435   1HH2  ARG  56          2HH2      ARG  56  11.962   2.015   5.806
  436   2HH2  ARG  56          1HH2      ARG  56  12.196   3.289   6.957
  437    H    VAL  57           H        VAL  57   8.207   0.962   0.073
  438    HA   VAL  57           HA       VAL  57   5.293   0.725   0.217
  439    HB   VAL  57           HB       VAL  57   5.298   1.498  -1.927
  440   1HG1  VAL  57          2HG1      VAL  57   8.109   0.574  -1.964
  441   2HG1  VAL  57          1HG1      VAL  57   7.272   0.701  -3.511
  442   3HG1  VAL  57          3HG1      VAL  57   7.411   2.115  -2.465
  443   1HG2  VAL  57          3HG2      VAL  57   4.408  -0.771  -1.995
  444   2HG2  VAL  57          2HG2      VAL  57   5.204  -0.362  -3.515
  445   3HG2  VAL  57          1HG2      VAL  57   6.018  -1.401  -2.345
  446    H    GLY  58           H        GLY  58   4.696  -1.226   0.882
  447   1HA   GLY  58          2HA       GLY  58   5.727  -3.250   1.962
  448   2HA   GLY  58          1HA       GLY  58   6.538  -3.492   0.421
  449    H    TYR  59           H        TYR  59   5.054  -5.531   1.437
  450    HA   TYR  59           HA       TYR  59   2.430  -5.413   0.160
  451   1HB   TYR  59          2HB       TYR  59   3.570  -7.919  -0.588
  452   2HB   TYR  59          1HB       TYR  59   2.976  -6.628  -1.629
  453    HD1  TYR  59           HD1      TYR  59   4.555  -4.833  -2.376
  454    HD2  TYR  59           HD2      TYR  59   5.891  -8.326  -0.349
  455    HE1  TYR  59           HE1      TYR  59   6.842  -4.415  -3.175
  456    HE2  TYR  59           HE2      TYR  59   8.182  -7.917  -1.141
  457    HH   TYR  59           HH       TYR  59   9.306  -5.163  -2.180
  458    HA   PRO  60           HA       PRO  60   2.047  -7.854   3.964
  459   1HB   PRO  60          2HB       PRO  60  -0.350  -6.896   4.687
  460   2HB   PRO  60          1HB       PRO  60   1.131  -5.969   4.932
  461   1HG   PRO  60          2HG       PRO  60  -0.982  -5.657   2.859
  462   2HG   PRO  60          1HG       PRO  60  -0.021  -4.418   3.680
  463   1HD   PRO  60          2HD       PRO  60   0.460  -5.423   1.120
  464   2HD   PRO  60          1HD       PRO  60   1.619  -4.519   2.113
  465    H    ILE  61           H        ILE  61   1.338  -9.900   3.943
  466    HA   ILE  61           HA       ILE  61  -1.193 -10.536   2.612
  467    HB   ILE  61           HB       ILE  61   1.372 -12.049   2.102
  468   1HG1  ILE  61          1HG1      ILE  61   1.040  -9.828   0.905
  469   2HG1  ILE  61          2HG1      ILE  61   1.289 -11.233  -0.127
  470   1HG2  ILE  61          2HG2      ILE  61  -0.935 -13.268   2.274
  471   2HG2  ILE  61          1HG2      ILE  61  -1.195 -12.570   0.674
  472   3HG2  ILE  61          3HG2      ILE  61   0.175 -13.645   0.957
  473   1HD1  ILE  61          3HD1      ILE  61  -1.417 -11.188   0.071
  474   2HD1  ILE  61          2HD1      ILE  61  -1.024  -9.469   0.123
  475   3HD1  ILE  61          1HD1      ILE  61  -0.483 -10.457  -1.234
  476    H    VAL  62           H        VAL  62  -2.387 -11.388   4.184
  477    HA   VAL  62           HA       VAL  62  -1.336 -12.585   6.521
  478    HB   VAL  62           HB       VAL  62  -3.762 -13.422   6.785
  479   1HG1  VAL  62          1HG1      VAL  62  -2.663 -10.703   6.904
  480   2HG1  VAL  62          3HG1      VAL  62  -4.423 -10.794   6.917
  481   3HG1  VAL  62          2HG1      VAL  62  -3.488 -11.651   8.141
  482   1HG2  VAL  62          2HG2      VAL  62  -4.051 -11.637   4.373
  483   2HG2  VAL  62          1HG2      VAL  62  -4.460 -13.349   4.490
  484   3HG2  VAL  62          3HG2      VAL  62  -5.392 -12.156   5.395
  485    H    LYS  63           H        LYS  63  -2.699 -13.921   3.542
  486    HA   LYS  63           HA       LYS  63  -1.837 -16.595   4.424
  487   1HB   LYS  63          2HB       LYS  63  -4.225 -15.642   2.964
  488   2HB   LYS  63          1HB       LYS  63  -3.505 -17.126   2.360
  489   1HG   LYS  63          2HG       LYS  63  -3.903 -18.274   4.348
  490   2HG   LYS  63          1HG       LYS  63  -4.140 -16.785   5.266
  491   1HD   LYS  63          2HD       LYS  63  -6.171 -16.372   3.806
  492   2HD   LYS  63          1HD       LYS  63  -5.985 -18.034   3.246
  493   1HE   LYS  63          2HE       LYS  63  -7.595 -18.003   5.020
  494   2HE   LYS  63          1HE       LYS  63  -6.133 -18.793   5.602
  495   1HZ   LYS  63          2HZ       LYS  63  -6.596 -15.916   6.071
  496   2HZ   LYS  63          1HZ       LYS  63  -7.254 -17.083   7.104
  497   3HZ   LYS  63          3HZ       LYS  63  -5.576 -16.974   6.908
  498    HA   PRO  64           HA       PRO  64   1.088 -15.487   1.045
  499   1HB   PRO  64          2HB       PRO  64   2.989 -17.263   1.925
  500   2HB   PRO  64          1HB       PRO  64   2.869 -15.588   2.466
  501   1HG   PRO  64          2HG       PRO  64   1.916 -18.085   3.796
  502   2HG   PRO  64          1HG       PRO  64   2.677 -16.654   4.511
  503   1HD   PRO  64          2HD       PRO  64   0.017 -17.095   4.651
  504   2HD   PRO  64          1HD       PRO  64   0.701 -15.460   4.534
  505    H    GLY  65           H        GLY  65   1.593 -16.606  -0.819
  506   1HA   GLY  65          2HA       GLY  65   0.202 -18.293  -2.134
  507   2HA   GLY  65          1HA       GLY  65   0.772 -19.437  -0.928
  508    HA   PRO  66           HA       PRO  66   3.832 -20.113  -4.165
  509   1HB   PRO  66          2HB       PRO  66   3.134 -19.259  -6.658
  510   2HB   PRO  66          1HB       PRO  66   2.489 -20.728  -5.919
  511   1HG   PRO  66          2HG       PRO  66   1.257 -18.007  -6.118
  512   2HG   PRO  66          1HG       PRO  66   0.507 -19.595  -6.357
  513   1HD   PRO  66          2HD       PRO  66   0.216 -18.190  -4.068
  514   2HD   PRO  66          1HD       PRO  66   0.272 -19.965  -4.090
  515    H    ASN  67           H        ASN  67   2.810 -17.248  -5.961
  516    HA   ASN  67           HA       ASN  67   5.433 -16.048  -5.398
  517   1HB   ASN  67          2HB       ASN  67   4.253 -14.593  -7.462
  518   2HB   ASN  67          1HB       ASN  67   5.507 -15.820  -7.626
  519   1HD2  ASN  67          2HD2      ASN  67   1.998 -15.435  -7.417
  520   2HD2  ASN  67          1HD2      ASN  67   1.617 -16.739  -8.484
  521    H    CYS  68           H        CYS  68   2.296 -15.846  -4.415
  522    HA   CYS  68           HA       CYS  68   1.764 -13.089  -4.377
  523   1HB   CYS  68          2HB       CYS  68   0.501 -15.421  -3.467
  524   2HB   CYS  68          1HB       CYS  68   0.721 -14.424  -2.033
  525    H    GLY  69           H        GLY  69   3.897 -15.036  -2.490
  526   1HA   GLY  69          1HA       GLY  69   4.116 -13.669  -0.108
  527   2HA   GLY  69          2HA       GLY  69   5.070 -12.742  -1.259
  528    H    PHE  70           H        PHE  70   5.071 -15.929  -2.198
  529    HA   PHE  70           HA       PHE  70   6.644 -17.570  -2.200
  530   1HB   PHE  70          2HB       PHE  70   8.222 -15.128  -1.569
  531   2HB   PHE  70          1HB       PHE  70   9.003 -16.685  -1.313
  532    HD1  PHE  70           HD1      PHE  70   8.674 -18.375  -3.352
  533    HD2  PHE  70           HD2      PHE  70   8.504 -14.131  -3.610
  534    HE1  PHE  70           HE1      PHE  70   9.215 -18.504  -5.748
  535    HE2  PHE  70           HE2      PHE  70   9.043 -14.251  -6.007
  536    HZ   PHE  70           HZ       PHE  70   9.399 -16.440  -7.080
  537    H    GLY  71           H        GLY  71   4.950 -17.217   0.105
  538   1HA   GLY  71          1HA       GLY  71   6.380 -18.931   1.929
  539   2HA   GLY  71          2HA       GLY  71   4.708 -18.404   2.081
  540    H    LYS  72           H        LYS  72   5.683 -15.553   1.713
  541    HA   LYS  72           HA       LYS  72   7.213 -15.078   4.126
  542   1HB   LYS  72          2HB       LYS  72   6.284 -13.437   1.827
  543   2HB   LYS  72          1HB       LYS  72   6.568 -12.602   3.350
  544   1HG   LYS  72          2HG       LYS  72   8.846 -13.256   3.385
  545   2HG   LYS  72          1HG       LYS  72   8.607 -14.392   2.055
  546   1HD   LYS  72          2HD       LYS  72   8.237 -12.606   0.505
  547   2HD   LYS  72          1HD       LYS  72   8.218 -11.414   1.807
  548   1HE   LYS  72          2HE       LYS  72  10.360 -11.135   1.079
  549   2HE   LYS  72          1HE       LYS  72  10.623 -12.411   2.268
  550   1HZ   LYS  72          2HZ       LYS  72   9.970 -13.650  -0.133
  551   2HZ   LYS  72          1HZ       LYS  72  11.116 -12.462  -0.503
  552   3HZ   LYS  72          3HZ       LYS  72  11.468 -13.644   0.655
  553    H    THR  73           H        THR  73   6.484 -13.694   5.842
  554    HA   THR  73           HA       THR  73   3.558 -13.607   6.146
  555    HB   THR  73           HB       THR  73   4.421 -13.809   8.720
  556    HG1  THR  73           HG1      THR  73   6.546 -14.419   7.576
  557   1HG2  THR  73          2HG2      THR  73   3.601 -16.006   6.823
  558   2HG2  THR  73          1HG2      THR  73   3.655 -16.181   8.577
  559   3HG2  THR  73          3HG2      THR  73   2.544 -15.027   7.839
  560    H    GLY  74           H        GLY  74   2.730 -11.713   6.810
  561   1HA   GLY  74          2HA       GLY  74   4.447  -9.775   8.170
  562   2HA   GLY  74          1HA       GLY  74   2.699  -9.676   8.002
  563    H    ILE  75           H        ILE  75   3.999  -7.411   7.532
  564    HA   ILE  75           HA       ILE  75   3.462  -6.942   4.743
  565    HB   ILE  75           HB       ILE  75   4.674  -4.940   6.624
  566   1HG1  ILE  75          2HG1      ILE  75   2.124  -6.272   6.881
  567   2HG1  ILE  75          1HG1      ILE  75   2.884  -5.107   7.959
  568   1HG2  ILE  75          1HG2      ILE  75   4.175  -4.734   4.004
  569   2HG2  ILE  75          3HG2      ILE  75   2.604  -4.238   4.638
  570   3HG2  ILE  75          2HG2      ILE  75   4.062  -3.371   5.121
  571   1HD1  ILE  75          2HD1      ILE  75   2.012  -3.300   6.471
  572   2HD1  ILE  75          1HD1      ILE  75   1.093  -4.540   5.619
  573   3HD1  ILE  75          3HD1      ILE  75   0.782  -4.228   7.327
  574    H    ILE  76           H        ILE  76   4.995  -7.845   3.451
  575    HA   ILE  76           HA       ILE  76   7.784  -7.746   4.014
  576    HB   ILE  76           HB       ILE  76   6.477  -8.238   1.337
  577   1HG1  ILE  76          2HG1      ILE  76   5.499  -9.833   2.790
  578   2HG1  ILE  76          1HG1      ILE  76   6.828 -10.682   2.009
  579   1HG2  ILE  76          3HG2      ILE  76   9.129  -7.901   1.951
  580   2HG2  ILE  76          2HG2      ILE  76   8.938  -9.654   1.995
  581   3HG2  ILE  76          1HG2      ILE  76   8.498  -8.755   0.543
  582   1HD1  ILE  76          2HD1      ILE  76   8.206 -10.124   4.051
  583   2HD1  ILE  76          1HD1      ILE  76   6.693  -9.626   4.810
  584   3HD1  ILE  76          3HD1      ILE  76   6.904 -11.293   4.271
  585    H    ASP  77           H        ASP  77   8.013  -5.466   4.448
  586    HA   ASP  77           HA       ASP  77   8.026  -3.778   2.039
  587   1HB   ASP  77          2HB       ASP  77   6.697  -2.641   3.562
  588   2HB   ASP  77          1HB       ASP  77   7.632  -3.193   4.948
  589    H    TYR  78           H        TYR  78   9.942  -3.476   1.137
  590    HA   TYR  78           HA       TYR  78  12.374  -4.084   2.547
  591   1HB   TYR  78          2HB       TYR  78  11.902  -3.030  -0.248
  592   2HB   TYR  78          1HB       TYR  78  13.449  -3.573   0.383
  593    HD1  TYR  78           HD1      TYR  78   9.988  -4.980   0.471
  594    HD2  TYR  78           HD2      TYR  78  14.070  -5.584  -0.561
  595    HE1  TYR  78           HE1      TYR  78   9.461  -7.275  -0.233
  596    HE2  TYR  78           HE2      TYR  78  13.556  -7.882  -1.271
  597    HH   TYR  78           HH       TYR  78  11.240  -9.064  -2.147
  598    H    GLY  79           H        GLY  79  10.521  -1.579   2.965
  599   1HA   GLY  79          2HA       GLY  79  12.610   0.153   3.818
  600   2HA   GLY  79          1HA       GLY  79  10.890   0.538   3.792
  601    H    ILE  80           H        ILE  80  11.904   2.678   3.150
  602    HA   ILE  80           HA       ILE  80  11.327   3.286   0.525
  603    HB   ILE  80           HB       ILE  80  13.370   4.807   2.111
  604   1HG1  ILE  80          2HG1      ILE  80  10.371   4.874   2.460
  605   2HG1  ILE  80          1HG1      ILE  80  11.515   4.176   3.594
  606   1HG2  ILE  80          3HG2      ILE  80  11.447   5.410  -0.082
  607   2HG2  ILE  80          2HG2      ILE  80  11.868   6.690   1.056
  608   3HG2  ILE  80          1HG2      ILE  80  13.129   5.902   0.108
  609   1HD1  ILE  80          2HD1      ILE  80  11.638   7.058   2.791
  610   2HD1  ILE  80          1HD1      ILE  80  10.632   6.488   4.121
  611   3HD1  ILE  80          3HD1      ILE  80  12.380   6.271   4.183
  612    H    ARG  81           H        ARG  81  12.408   3.322  -1.344
  613    HA   ARG  81           HA       ARG  81  15.209   2.396  -1.318
  614   1HB   ARG  81          2HB       ARG  81  13.258   1.978  -3.579
  615   2HB   ARG  81          1HB       ARG  81  14.829   1.218  -3.355
  616   1HG   ARG  81          2HG       ARG  81  12.554   0.805  -1.439
  617   2HG   ARG  81          1HG       ARG  81  12.788  -0.199  -2.871
  618   1HD   ARG  81          2HD       ARG  81  15.017   0.232  -0.917
  619   2HD   ARG  81          1HD       ARG  81  13.777  -0.984  -0.616
  620    HE   ARG  81           HE       ARG  81  14.790  -1.320  -3.217
  621   1HH1  ARG  81          1HH1      ARG  81  15.743  -1.704   0.111
  622   2HH1  ARG  81          2HH1      ARG  81  16.864  -2.981  -0.222
  623   1HH2  ARG  81          1HH2      ARG  81  16.264  -3.000  -3.667
  624   2HH2  ARG  81          2HH2      ARG  81  17.161  -3.718  -2.371
  625    H    LEU  82           H        LEU  82  13.836   5.152  -1.418
  626    HA   LEU  82           HA       LEU  82  14.093   7.154  -2.483
  627   1HB   LEU  82          2HB       LEU  82  16.667   5.843  -2.348
  628   2HB   LEU  82          1HB       LEU  82  16.575   6.929  -3.716
  629    HG   LEU  82           HG       LEU  82  17.437   7.766  -1.379
  630   1HD1  LEU  82          3HD1      LEU  82  15.596   9.260  -3.233
  631   2HD1  LEU  82          2HD1      LEU  82  16.518  10.036  -1.945
  632   3HD1  LEU  82          1HD1      LEU  82  17.360   9.213  -3.258
  633   1HD2  LEU  82          3HD2      LEU  82  14.444   7.989  -1.124
  634   2HD2  LEU  82          2HD2      LEU  82  15.550   7.132  -0.050
  635   3HD2  LEU  82          1HD2      LEU  82  15.597   8.893  -0.139
  636    H    ASN  83           H        ASN  83  12.519   5.608  -3.986
  637    HA   ASN  83           HA       ASN  83  13.085   6.557  -6.648
  638   1HB   ASN  83          2HB       ASN  83  14.242   4.276  -6.391
  639   2HB   ASN  83          1HB       ASN  83  12.618   3.595  -6.357
  640   1HD2  ASN  83          1HD2      ASN  83  13.841   6.317  -8.238
  641   2HD2  ASN  83          2HD2      ASN  83  13.544   5.610  -9.786
  642    H    ARG  84           H        ARG  84  11.119   7.512  -5.229
  643    HA   ARG  84           HA       ARG  84   8.698   6.162  -5.082
  644   1HB   ARG  84          2HB       ARG  84   8.931   9.097  -5.720
  645   2HB   ARG  84          1HB       ARG  84   7.677   8.282  -4.799
  646   1HG   ARG  84          2HG       ARG  84   8.797   8.506  -2.899
  647   2HG   ARG  84          1HG       ARG  84  10.286   7.892  -3.619
  648   1HD   ARG  84          2HD       ARG  84   9.759  10.505  -4.642
  649   2HD   ARG  84          1HD       ARG  84   9.667  10.545  -2.882
  650    HE   ARG  84           HE       ARG  84  11.940   9.321  -3.089
  651   1HH1  ARG  84          2HH1      ARG  84  10.758  11.846  -5.177
  652   2HH1  ARG  84          1HH1      ARG  84  12.339  12.433  -5.576
  653   1HH2  ARG  84          1HH2      ARG  84  14.025  10.087  -3.610
  654   2HH2  ARG  84          2HH2      ARG  84  14.194  11.433  -4.686
  655    H    SER  85           H        SER  85  10.436   7.064  -7.822
  656    HA   SER  85           HA       SER  85   8.216   7.505  -9.588
  657   1HB   SER  85          2HB       SER  85  10.939   7.995  -9.715
  658   2HB   SER  85          1HB       SER  85  10.708   6.684 -10.871
  659    HG   SER  85           HG       SER  85   8.740   8.365 -11.276
  660    H    GLU  86           H        GLU  86   8.675   4.902  -7.972
  661    HA   GLU  86           HA       GLU  86   8.925   2.884 -10.004
  662   1HB   GLU  86          2HB       GLU  86   8.355   2.877  -7.060
  663   2HB   GLU  86          1HB       GLU  86   8.095   1.421  -8.010
  664   1HG   GLU  86          2HG       GLU  86  10.686   2.657  -8.492
  665   2HG   GLU  86          1HG       GLU  86  10.442   2.170  -6.815
  666    H    ARG  87           H        ARG  87   7.012   1.036  -9.491
  667    HA   ARG  87           HA       ARG  87   4.450   2.417  -9.843
  668   1HB   ARG  87          2HB       ARG  87   3.937   0.660 -11.634
  669   2HB   ARG  87          1HB       ARG  87   4.957   2.020 -12.078
  670   1HG   ARG  87          2HG       ARG  87   6.503   0.608 -12.779
  671   2HG   ARG  87          1HG       ARG  87   6.667  -0.008 -11.134
  672   1HD   ARG  87          2HD       ARG  87   4.431  -1.299 -11.913
  673   2HD   ARG  87          1HD       ARG  87   5.266  -1.154 -13.460
  674    HE   ARG  87           HE       ARG  87   6.609  -2.313 -11.110
  675   1HH1  ARG  87          2HH1      ARG  87   5.525  -2.521 -14.415
  676   2HH1  ARG  87          1HH1      ARG  87   6.369  -4.000 -14.734
  677   1HH2  ARG  87          2HH2      ARG  87   7.722  -4.260 -11.520
  678   2HH2  ARG  87          1HH2      ARG  87   7.618  -4.988 -13.088
  679    H    TRP  88           H        TRP  88   3.174   1.730  -8.313
  680    HA   TRP  88           HA       TRP  88   2.636  -1.083  -7.956
  681   1HB   TRP  88          2HB       TRP  88   3.278   0.359  -5.414
  682   2HB   TRP  88          1HB       TRP  88   3.307  -1.366  -5.758
  683    HD1  TRP  88           HD1      TRP  88   5.505   1.685  -5.674
  684    HE1  TRP  88           HE1      TRP  88   7.928   1.007  -6.222
  685    HE3  TRP  88           HE3      TRP  88   4.674  -3.110  -7.243
  686    HZ2  TRP  88           HZ2      TRP  88   9.303  -1.260  -7.191
  687    HZ3  TRP  88           HZ3      TRP  88   6.597  -4.466  -7.962
  688    HH2  TRP  88           HH2      TRP  88   8.863  -3.558  -7.936
  689    H    ASP  89           H        ASP  89   0.989  -1.220  -5.957
  690    HA   ASP  89           HA       ASP  89  -1.213   0.441  -6.706
  691   1HB   ASP  89          2HB       ASP  89  -1.165  -1.293  -4.251
  692   2HB   ASP  89          1HB       ASP  89  -2.515  -0.918  -5.314
  693    H    ALA  90           H        ALA  90  -2.540   1.038  -4.414
  694    HA   ALA  90           HA       ALA  90  -0.739   2.599  -2.729
  695   1HB   ALA  90          1HB       ALA  90  -1.300   4.086  -4.587
  696   2HB   ALA  90          2HB       ALA  90  -1.981   4.663  -3.066
  697   3HB   ALA  90          3HB       ALA  90  -3.016   3.862  -4.248
  698    H    TYR  91           H        TYR  91  -1.394   2.656  -0.657
  699    HA   TYR  91           HA       TYR  91  -3.984   1.474  -0.007
  700   1HB   TYR  91          2HB       TYR  91  -1.480   2.027   1.575
  701   2HB   TYR  91          1HB       TYR  91  -2.993   1.615   2.367
  702    HD1  TYR  91           HD1      TYR  91  -4.162  -0.584   1.383
  703    HD2  TYR  91           HD2      TYR  91  -0.010   0.321   1.112
  704    HE1  TYR  91           HE1      TYR  91  -3.664  -2.968   1.064
  705    HE2  TYR  91           HE2      TYR  91   0.493  -2.064   0.795
  706    HH   TYR  91           HH       TYR  91  -2.086  -4.462   0.497
  707    H    CYS  92           H        CYS  92  -5.649   2.819   0.268
  708    HA   CYS  92           HA       CYS  92  -5.152   5.617   0.886
  709   1HB   CYS  92          2HB       CYS  92  -7.461   4.049  -0.158
  710   2HB   CYS  92          1HB       CYS  92  -7.801   5.563   0.673
  711    H    TYR  93           H        TYR  93  -6.153   6.736   2.588
  712    HA   TYR  93           HA       TYR  93  -7.373   5.198   4.732
  713   1HB   TYR  93          2HB       TYR  93  -4.940   5.099   5.166
  714   2HB   TYR  93          1HB       TYR  93  -4.878   6.856   5.152
  715    HD1  TYR  93           HD1      TYR  93  -6.413   8.071   6.855
  716    HD2  TYR  93           HD2      TYR  93  -5.275   3.986   7.185
  717    HE1  TYR  93           HE1      TYR  93  -6.922   8.139   9.254
  718    HE2  TYR  93           HE2      TYR  93  -5.783   4.037   9.594
  719    HH   TYR  93           HH       TYR  93  -7.380   6.747  11.081
  720    H    ASN  94           H        ASN  94  -9.113   6.310   5.329
  721    HA   ASN  94           HA       ASN  94  -8.928   9.237   5.491
  722   1HB   ASN  94          2HB       ASN  94 -11.282   7.699   4.373
  723   2HB   ASN  94          1HB       ASN  94 -11.214   9.442   4.614
  724   1HD2  ASN  94          2HD2      ASN  94 -11.792   8.322   2.172
  725   2HD2  ASN  94          1HD2      ASN  94 -10.500   8.650   1.073
  726    HA   PRO  95           HA       PRO  95 -10.332   8.846   9.647
  727   1HB   PRO  95          2HB       PRO  95 -12.107  11.136   8.935
  728   2HB   PRO  95          1HB       PRO  95 -10.999  10.952  10.302
  729   1HG   PRO  95          2HG       PRO  95 -10.356  12.483   8.212
  730   2HG   PRO  95          1HG       PRO  95  -9.138  11.495   9.037
  731   1HD   PRO  95          1HD       PRO  95 -10.451  11.074   6.402
  732   2HD   PRO  95          2HD       PRO  95  -8.816  10.635   6.934
  733    H    HIS  96           H        HIS  96 -12.643   9.266   7.027
  734    HA   HIS  96           HA       HIS  96 -14.545   7.567   8.502
  735   1HB   HIS  96          2HB       HIS  96 -14.966  10.072   6.956
  736   2HB   HIS  96          1HB       HIS  96 -16.190   8.817   6.789
  737    HD1  HIS  96           HD1      HIS  96 -16.796   7.814   9.427
  738    HD2  HIS  96           HD2      HIS  96 -15.702  11.788   8.894
  739    HE1  HIS  96           HE1      HIS  96 -17.669   9.029  11.449
  740    HE2  HIS  96           HE2      HIS  96 -17.052  11.442  11.073
  741    H    ALA  97           H        ALA  97 -13.020   8.349   5.455
  742    HA   ALA  97           HA       ALA  97 -13.226   7.369   3.359
  743   1HB   ALA  97          1HB       ALA  97 -11.399   6.152   3.910
  744   2HB   ALA  97          2HB       ALA  97 -12.543   4.816   3.769
  745   3HB   ALA  97          3HB       ALA  97 -12.149   5.475   5.357
  746    H    LYS  98           H        LYS  98 -15.769   7.703   3.980
  747    HA   LYS  98           HA       LYS  98 -17.299   5.323   4.234
  748   1HB   LYS  98          2HB       LYS  98 -18.117   7.603   4.828
  749   2HB   LYS  98          1HB       LYS  98 -18.170   7.993   3.113
  750   1HG   LYS  98          2HG       LYS  98 -19.742   6.022   2.858
  751   2HG   LYS  98          1HG       LYS  98 -19.845   6.010   4.619
  752   1HD   LYS  98          2HD       LYS  98 -21.651   7.332   4.048
  753   2HD   LYS  98          1HD       LYS  98 -20.397   8.538   4.337
  754   1HE   LYS  98          2HE       LYS  98 -20.056   8.893   2.040
  755   2HE   LYS  98          1HE       LYS  98 -20.914   7.417   1.600
  756   1HZ   LYS  98          2HZ       LYS  98 -22.419   9.454   3.051
  757   2HZ   LYS  98          1HZ       LYS  98 -22.029   9.790   1.440
  758   3HZ   LYS  98          3HZ       LYS  98 -22.924   8.406   1.823

  No H/Q in entry =         758